data_7HM6
# 
_entry.id   7HM6 
# 
_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   7HM6         pdb_00007hm6 10.2210/pdb7hm6/pdb 
WWPDB D_1001407648 ?            ?                   
# 
_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                        7HM6 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-04 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.SG_entry                        ? 
_pdbx_database_status.pdb_format_compatible           N 
_pdbx_database_status.methods_development_category    ? 
# 
_pdbx_contact_author.id                 1 
_pdbx_contact_author.email              knapp@pharmchem.uni-frankfurt.de 
_pdbx_contact_author.name_first         Stefan 
_pdbx_contact_author.name_last          Knapp 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-5995-6494 
_pdbx_contact_author.name_mi            ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Kim, Y.'                              1 
'Marples, P.'                          2 
'Fearon, D.'                           3 
'von Delft, F.'                        4 
'Knapp, S.'                            5 
'Kraemer, A.'                          6 
'Structural Genomics Consortium (SGC)' 7 
# 
_citation.id                        primary 
_citation.title                     'PanDDA analysis group deposition' 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_volume            ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.year                      ? 
_citation.journal_id_ASTM           ? 
_citation.country                   ? 
_citation.journal_id_ISSN           ? 
_citation.journal_id_CSD            0353 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_DOI      ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.identifier_ORCID 
_citation_author.ordinal 
primary 'Kim, Y.'                              ? 1 
primary 'Marples, P.'                          ? 2 
primary 'Fearon, D.'                           ? 3 
primary 'von Delft, F.'                        ? 4 
primary 'Knapp, S.'                            ? 5 
primary 'Kraemer, A.'                          ? 6 
primary 'Structural Genomics Consortium (SGC)' ? 7 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'E3 ubiquitin-protein ligase TRIM21'    21596.361 1  2.3.2.27 ? ? ? 
2 non-polymer syn 1,2-ETHANEDIOL                          62.068    2  ?        ? ? ? 
3 non-polymer syn '5-fluoro-N-(oxan-4-yl)pyridin-2-amine' 196.221   1  ?        ? ? ? 
4 non-polymer syn 'SULFATE ION'                           96.063    1  ?        ? ? ? 
5 water       nat water                                   18.015    38 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;52 kDa Ro protein,52 kDa ribonucleoprotein autoantigen Ro/SS-A,Ro(SS-A),Sjoegren syndrome type A antigen,SS-A,Tripartite motif-containing protein 21
;
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_strand_id                 B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 1,2-ETHANEDIOL                          EDO   
3 '5-fluoro-N-(oxan-4-yl)pyridin-2-amine' A1BDJ 
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 
A1BDJ non-polymer         . '5-fluoro-N-(oxan-4-yl)pyridin-2-amine' ?                 'C10 H13 F N2 O' 196.221 
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        A1BDJ 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1BDJ 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 EDO   1  201 202 EDO   EDO B . 
C 3 A1BDJ 1  202 302 A1BDJ LIG B . 
D 2 EDO   1  203 305 EDO   EDO B . 
E 4 SO4   1  204 1   SO4   SO4 B . 
F 5 HOH   1  301 12  HOH   HOH B . 
F 5 HOH   2  302 26  HOH   HOH B . 
F 5 HOH   3  303 129 HOH   HOH B . 
F 5 HOH   4  304 27  HOH   HOH B . 
F 5 HOH   5  305 40  HOH   HOH B . 
F 5 HOH   6  306 11  HOH   HOH B . 
F 5 HOH   7  307 22  HOH   HOH B . 
F 5 HOH   8  308 19  HOH   HOH B . 
F 5 HOH   9  309 66  HOH   HOH B . 
F 5 HOH   10 310 86  HOH   HOH B . 
F 5 HOH   11 311 20  HOH   HOH B . 
F 5 HOH   12 312 43  HOH   HOH B . 
F 5 HOH   13 313 62  HOH   HOH B . 
F 5 HOH   14 314 71  HOH   HOH B . 
F 5 HOH   15 315 304 HOH   HOH B . 
F 5 HOH   16 316 281 HOH   HOH B . 
F 5 HOH   17 317 156 HOH   HOH B . 
F 5 HOH   18 318 85  HOH   HOH B . 
F 5 HOH   19 319 267 HOH   HOH B . 
F 5 HOH   20 320 8   HOH   HOH B . 
F 5 HOH   21 321 3   HOH   HOH B . 
F 5 HOH   22 322 264 HOH   HOH B . 
F 5 HOH   23 323 23  HOH   HOH B . 
F 5 HOH   24 324 8   HOH   HOH B . 
F 5 HOH   25 325 30  HOH   HOH B . 
F 5 HOH   26 326 257 HOH   HOH B . 
F 5 HOH   27 327 20  HOH   HOH B . 
F 5 HOH   28 328 69  HOH   HOH B . 
F 5 HOH   29 329 53  HOH   HOH B . 
F 5 HOH   30 330 44  HOH   HOH B . 
F 5 HOH   31 331 22  HOH   HOH B . 
F 5 HOH   32 332 5   HOH   HOH B . 
F 5 HOH   33 333 19  HOH   HOH B . 
F 5 HOH   34 334 18  HOH   HOH B . 
F 5 HOH   35 335 115 HOH   HOH B . 
F 5 HOH   36 336 21  HOH   HOH B . 
F 5 HOH   37 337 23  HOH   HOH B . 
F 5 HOH   38 338 104 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           7HM6 
_cell.length_a           95.620 
_cell.length_b           95.620 
_cell.length_c           45.845 
_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                         7HM6 
_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          7HM6 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.43 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   49.30 
_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   2024-05-23 
_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   0.92124 
_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        0.92124 
_diffrn_source.pdbx_synchrotron_site       Diamond 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HM6 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             67.600 
_reflns.d_resolution_high            1.330 
_reflns.number_obs                   47652 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         100.000 
_reflns.pdbx_Rmerge_I_obs            0.111 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        13.000 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              11.600 
_reflns.pdbx_Rrim_I_all              0.115 
_reflns.pdbx_Rpim_I_all              0.033 
_reflns.pdbx_CC_half                 0.999 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     553879 
_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 1.330 1.350  ? 11574 2380 ? 1.725 ? ? ? 4.900  ? 0.600  ? ? ? ? ? ? 99.400 1.937 0.861 0.311 
1 2 7.290 67.600 ? 3829  317  ? 0.061 ? ? ? 12.100 ? 60.200 ? ? ? ? ? ? 99.900 0.064 0.019 0.995 
# 
_refine.entry_id                                 7HM6 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.3300 
_refine.ls_d_res_low                             67.6100 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    99.7400 
_refine.ls_number_reflns_obs                     45263 
_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                          0.1779 
_refine.ls_R_factor_R_work                       0.1769 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.1970 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.8000 
_refine.ls_number_reflns_R_free                  2286 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               16.7820 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.2000 
_refine.aniso_B[2][2]                            0.2000 
_refine.aniso_B[3][3]                            -0.4000 
_refine.aniso_B[1][2]                            -0.0000 
_refine.aniso_B[1][3]                            -0.0000 
_refine.aniso_B[2][3]                            0.0000 
_refine.correlation_coeff_Fo_to_Fc               0.9680 
_refine.correlation_coeff_Fo_to_Fc_free          0.9600 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.overall_SU_R_free                        ? 
_refine.pdbx_overall_ESU_R                       0.0560 
_refine.pdbx_overall_ESU_R_Free                  0.0570 
_refine.overall_SU_ML                            0.0470 
_refine.overall_SU_B                             1.2170 
_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                                77.340 
_refine.B_iso_min                                8.420 
_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                       1.3300 
_refine_hist.d_res_low                        67.6100 
_refine_hist.pdbx_number_atoms_ligand         27 
_refine_hist.number_atoms_solvent             38 
_refine_hist.number_atoms_total               1558 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           37.76 
_refine_hist.pdbx_B_iso_mean_solvent          25.98 
_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       2143 0.011  0.014  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1630 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2549 1.793  1.637  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3768 1.452  1.579  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 241  7.125  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 110  29.550 21.455 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 291  12.493 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   23.520 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         222  0.089  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2282 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     506  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            1077 1.294  1.574  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         965  1.353  1.430  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1153 2.165  2.150  ? ? 
# 
_refine_ls_shell.d_res_high                       1.3300 
_refine_ls_shell.d_res_low                        1.3650 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               96.7800 
_refine_ls_shell.number_reflns_R_work             3249 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3390 
_refine_ls_shell.R_factor_R_free                  0.3360 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             149 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                3398 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HM6 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1172243962' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HM6 
_struct_keywords.text            'SGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, TRIM21, LIGASE' 
_struct_keywords.pdbx_keywords   LIGASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 2 ? 
E N N 4 ? 
F N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    RO52_MOUSE 
_struct_ref.pdbx_db_accession          Q62191 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;VHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGVCRDSVQRK
GQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFAGPLRPFFN
VGFNYSGGNAAPLKLCPLKM
;
_struct_ref.pdbx_align_begin           291 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              7HM6 
_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 7HM6 MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HM6 HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HM6 HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HM6 HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HM6 HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HM6 HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HM6 HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HM6 MET B 8 ? UNP Q62191 ? ? 'expression tag'        14 8 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 4  ? MET A 8  ? HIS B 10  MET B 14  5 ? 5 
HELX_P HELX_P2 AA2 ARG A 15 ? ALA A 18 ? ARG B 21  ALA B 24  5 ? 4 
HELX_P HELX_P3 AA3 SER A 94 ? ASN A 97 ? SER B 100 ASN B 103 5 ? 4 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           114 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            120 
_struct_mon_prot_cis.auth_asym_id           B 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    115 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     121 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    B 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -0.57 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 7 ? 
AA2 ? 7 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
AA2 6 7 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 LEU A 13  ? ASP A 14  ? LEU B 19  ASP B 20  
AA1 2 MET A 52  ? GLY A 55  ? MET B 58  GLY B 61  
AA1 3 LEU A 163 ? ASN A 168 ? LEU B 169 ASN B 174 
AA1 4 TRP A 76  ? ARG A 82  ? TRP B 82  ARG B 88  
AA1 5 PHE A 99  ? TRP A 105 ? PHE B 105 TRP B 111 
AA1 6 SER A 108 ? ALA A 111 ? SER B 114 ALA B 117 
AA1 7 THR A 117 ? THR A 118 ? THR B 123 THR B 124 
AA2 1 LEU A 22  ? ILE A 24  ? LEU B 28  ILE B 30  
AA2 2 GLN A 30  ? MET A 33  ? GLN B 36  MET B 39  
AA2 3 LEU A 181 ? LEU A 183 ? LEU B 187 LEU B 189 
AA2 4 LYS A 63  ? ASP A 69  ? LYS B 69  ASP B 75  
AA2 5 GLN A 127 ? ASP A 133 ? GLN B 133 ASP B 139 
AA2 6 VAL A 138 ? ASN A 143 ? VAL B 144 ASN B 149 
AA2 7 SER A 149 ? PHE A 154 ? SER B 155 PHE B 160 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N ASP A 14  ? N ASP B 20  O LEU A 54  ? O LEU B 60  
AA1 2 3 N GLY A 55  ? N GLY B 61  O PRO A 165 ? O PRO B 171 
AA1 3 4 O ARG A 164 ? O ARG B 170 N CYS A 81  ? N CYS B 87  
AA1 4 5 N VAL A 80  ? N VAL B 86  O TRP A 100 ? O TRP B 106 
AA1 5 6 N TRP A 105 ? N TRP B 111 O SER A 108 ? O SER B 114 
AA1 6 7 N ALA A 111 ? N ALA B 117 O THR A 117 ? O THR B 123 
AA2 1 2 N ILE A 23  ? N ILE B 29  O ARG A 32  ? O ARG B 38  
AA2 2 3 N VAL A 31  ? N VAL B 37  O LEU A 181 ? O LEU B 187 
AA2 3 4 O LYS A 182 ? O LYS B 188 N ASP A 69  ? N ASP B 75  
AA2 4 5 N TRP A 66  ? N TRP B 72  O ILE A 130 ? O ILE B 136 
AA2 5 6 N PHE A 131 ? N PHE B 137 O SER A 140 ? O SER B 146 
AA2 6 7 N PHE A 141 ? N PHE B 147 O ILE A 151 ? O ILE B 157 
# 
_pdbx_entry_details.entry_id                   7HM6 
_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                126.19 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            14.39 
_pdbx_validate_rmsd_angle.angle_standard_deviation   2.10 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    ASP 
_pdbx_validate_torsion.auth_asym_id    B 
_pdbx_validate_torsion.auth_seq_id     152 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -106.49 
_pdbx_validate_torsion.psi             53.94 
# 
_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 
A1BDJ N1   N Y N 1   
A1BDJ C4   C N N 2   
A1BDJ C5   C N N 3   
A1BDJ C6   C N N 4   
A1BDJ C7   C N N 5   
A1BDJ C8   C N N 6   
A1BDJ N    N N N 7   
A1BDJ C    C Y N 8   
A1BDJ O    O N N 9   
A1BDJ C1   C Y N 10  
A1BDJ C2   C Y N 11  
A1BDJ C3   C Y N 12  
A1BDJ C9   C Y N 13  
A1BDJ F    F N N 14  
A1BDJ H3   H N N 15  
A1BDJ H4   H N N 16  
A1BDJ H5   H N N 17  
A1BDJ H7   H N N 18  
A1BDJ H6   H N N 19  
A1BDJ H8   H N N 20  
A1BDJ H9   H N N 21  
A1BDJ H10  H N N 22  
A1BDJ H11  H N N 23  
A1BDJ H2   H N N 24  
A1BDJ H    H N N 25  
A1BDJ H1   H N N 26  
A1BDJ H12  H N N 27  
ALA   N    N N N 28  
ALA   CA   C N S 29  
ALA   C    C N N 30  
ALA   O    O N N 31  
ALA   CB   C N N 32  
ALA   OXT  O N N 33  
ALA   H    H N N 34  
ALA   H2   H N N 35  
ALA   HA   H N N 36  
ALA   HB1  H N N 37  
ALA   HB2  H N N 38  
ALA   HB3  H N N 39  
ALA   HXT  H N N 40  
ARG   N    N N N 41  
ARG   CA   C N S 42  
ARG   C    C N N 43  
ARG   O    O N N 44  
ARG   CB   C N N 45  
ARG   CG   C N N 46  
ARG   CD   C N N 47  
ARG   NE   N N N 48  
ARG   CZ   C N N 49  
ARG   NH1  N N N 50  
ARG   NH2  N N N 51  
ARG   OXT  O N N 52  
ARG   H    H N N 53  
ARG   H2   H N N 54  
ARG   HA   H N N 55  
ARG   HB2  H N N 56  
ARG   HB3  H N N 57  
ARG   HG2  H N N 58  
ARG   HG3  H N N 59  
ARG   HD2  H N N 60  
ARG   HD3  H N N 61  
ARG   HE   H N N 62  
ARG   HH11 H N N 63  
ARG   HH12 H N N 64  
ARG   HH21 H N N 65  
ARG   HH22 H N N 66  
ARG   HXT  H N N 67  
ASN   N    N N N 68  
ASN   CA   C N S 69  
ASN   C    C N N 70  
ASN   O    O N N 71  
ASN   CB   C N N 72  
ASN   CG   C N N 73  
ASN   OD1  O N N 74  
ASN   ND2  N N N 75  
ASN   OXT  O N N 76  
ASN   H    H N N 77  
ASN   H2   H N N 78  
ASN   HA   H N N 79  
ASN   HB2  H N N 80  
ASN   HB3  H N N 81  
ASN   HD21 H N N 82  
ASN   HD22 H N N 83  
ASN   HXT  H N N 84  
ASP   N    N N N 85  
ASP   CA   C N S 86  
ASP   C    C N N 87  
ASP   O    O N N 88  
ASP   CB   C N N 89  
ASP   CG   C N N 90  
ASP   OD1  O N N 91  
ASP   OD2  O N N 92  
ASP   OXT  O N N 93  
ASP   H    H N N 94  
ASP   H2   H N N 95  
ASP   HA   H N N 96  
ASP   HB2  H N N 97  
ASP   HB3  H N N 98  
ASP   HD2  H N N 99  
ASP   HXT  H N N 100 
CYS   N    N N N 101 
CYS   CA   C N R 102 
CYS   C    C N N 103 
CYS   O    O N N 104 
CYS   CB   C N N 105 
CYS   SG   S N N 106 
CYS   OXT  O N N 107 
CYS   H    H N N 108 
CYS   H2   H N N 109 
CYS   HA   H N N 110 
CYS   HB2  H N N 111 
CYS   HB3  H N N 112 
CYS   HG   H N N 113 
CYS   HXT  H N N 114 
EDO   C1   C N N 115 
EDO   O1   O N N 116 
EDO   C2   C N N 117 
EDO   O2   O N N 118 
EDO   H11  H N N 119 
EDO   H12  H N N 120 
EDO   HO1  H N N 121 
EDO   H21  H N N 122 
EDO   H22  H N N 123 
EDO   HO2  H N N 124 
GLN   N    N N N 125 
GLN   CA   C N S 126 
GLN   C    C N N 127 
GLN   O    O N N 128 
GLN   CB   C N N 129 
GLN   CG   C N N 130 
GLN   CD   C N N 131 
GLN   OE1  O N N 132 
GLN   NE2  N N N 133 
GLN   OXT  O N N 134 
GLN   H    H N N 135 
GLN   H2   H N N 136 
GLN   HA   H N N 137 
GLN   HB2  H N N 138 
GLN   HB3  H N N 139 
GLN   HG2  H N N 140 
GLN   HG3  H N N 141 
GLN   HE21 H N N 142 
GLN   HE22 H N N 143 
GLN   HXT  H N N 144 
GLU   N    N N N 145 
GLU   CA   C N S 146 
GLU   C    C N N 147 
GLU   O    O N N 148 
GLU   CB   C N N 149 
GLU   CG   C N N 150 
GLU   CD   C N N 151 
GLU   OE1  O N N 152 
GLU   OE2  O N N 153 
GLU   OXT  O N N 154 
GLU   H    H N N 155 
GLU   H2   H N N 156 
GLU   HA   H N N 157 
GLU   HB2  H N N 158 
GLU   HB3  H N N 159 
GLU   HG2  H N N 160 
GLU   HG3  H N N 161 
GLU   HE2  H N N 162 
GLU   HXT  H N N 163 
GLY   N    N N N 164 
GLY   CA   C N N 165 
GLY   C    C N N 166 
GLY   O    O N N 167 
GLY   OXT  O N N 168 
GLY   H    H N N 169 
GLY   H2   H N N 170 
GLY   HA2  H N N 171 
GLY   HA3  H N N 172 
GLY   HXT  H N N 173 
HIS   N    N N N 174 
HIS   CA   C N S 175 
HIS   C    C N N 176 
HIS   O    O N N 177 
HIS   CB   C N N 178 
HIS   CG   C Y N 179 
HIS   ND1  N Y N 180 
HIS   CD2  C Y N 181 
HIS   CE1  C Y N 182 
HIS   NE2  N Y N 183 
HIS   OXT  O N N 184 
HIS   H    H N N 185 
HIS   H2   H N N 186 
HIS   HA   H N N 187 
HIS   HB2  H N N 188 
HIS   HB3  H N N 189 
HIS   HD1  H N N 190 
HIS   HD2  H N N 191 
HIS   HE1  H N N 192 
HIS   HE2  H N N 193 
HIS   HXT  H N N 194 
HOH   O    O N N 195 
HOH   H1   H N N 196 
HOH   H2   H N N 197 
ILE   N    N N N 198 
ILE   CA   C N S 199 
ILE   C    C N N 200 
ILE   O    O N N 201 
ILE   CB   C N S 202 
ILE   CG1  C N N 203 
ILE   CG2  C N N 204 
ILE   CD1  C N N 205 
ILE   OXT  O N N 206 
ILE   H    H N N 207 
ILE   H2   H N N 208 
ILE   HA   H N N 209 
ILE   HB   H N N 210 
ILE   HG12 H N N 211 
ILE   HG13 H N N 212 
ILE   HG21 H N N 213 
ILE   HG22 H N N 214 
ILE   HG23 H N N 215 
ILE   HD11 H N N 216 
ILE   HD12 H N N 217 
ILE   HD13 H N N 218 
ILE   HXT  H N N 219 
LEU   N    N N N 220 
LEU   CA   C N S 221 
LEU   C    C N N 222 
LEU   O    O N N 223 
LEU   CB   C N N 224 
LEU   CG   C N N 225 
LEU   CD1  C N N 226 
LEU   CD2  C N N 227 
LEU   OXT  O N N 228 
LEU   H    H N N 229 
LEU   H2   H N N 230 
LEU   HA   H N N 231 
LEU   HB2  H N N 232 
LEU   HB3  H N N 233 
LEU   HG   H N N 234 
LEU   HD11 H N N 235 
LEU   HD12 H N N 236 
LEU   HD13 H N N 237 
LEU   HD21 H N N 238 
LEU   HD22 H N N 239 
LEU   HD23 H N N 240 
LEU   HXT  H N N 241 
LYS   N    N N N 242 
LYS   CA   C N S 243 
LYS   C    C N N 244 
LYS   O    O N N 245 
LYS   CB   C N N 246 
LYS   CG   C N N 247 
LYS   CD   C N N 248 
LYS   CE   C N N 249 
LYS   NZ   N N N 250 
LYS   OXT  O N N 251 
LYS   H    H N N 252 
LYS   H2   H N N 253 
LYS   HA   H N N 254 
LYS   HB2  H N N 255 
LYS   HB3  H N N 256 
LYS   HG2  H N N 257 
LYS   HG3  H N N 258 
LYS   HD2  H N N 259 
LYS   HD3  H N N 260 
LYS   HE2  H N N 261 
LYS   HE3  H N N 262 
LYS   HZ1  H N N 263 
LYS   HZ2  H N N 264 
LYS   HZ3  H N N 265 
LYS   HXT  H N N 266 
MET   N    N N N 267 
MET   CA   C N S 268 
MET   C    C N N 269 
MET   O    O N N 270 
MET   CB   C N N 271 
MET   CG   C N N 272 
MET   SD   S N N 273 
MET   CE   C N N 274 
MET   OXT  O N N 275 
MET   H    H N N 276 
MET   H2   H N N 277 
MET   HA   H N N 278 
MET   HB2  H N N 279 
MET   HB3  H N N 280 
MET   HG2  H N N 281 
MET   HG3  H N N 282 
MET   HE1  H N N 283 
MET   HE2  H N N 284 
MET   HE3  H N N 285 
MET   HXT  H N N 286 
PHE   N    N N N 287 
PHE   CA   C N S 288 
PHE   C    C N N 289 
PHE   O    O N N 290 
PHE   CB   C N N 291 
PHE   CG   C Y N 292 
PHE   CD1  C Y N 293 
PHE   CD2  C Y N 294 
PHE   CE1  C Y N 295 
PHE   CE2  C Y N 296 
PHE   CZ   C Y N 297 
PHE   OXT  O N N 298 
PHE   H    H N N 299 
PHE   H2   H N N 300 
PHE   HA   H N N 301 
PHE   HB2  H N N 302 
PHE   HB3  H N N 303 
PHE   HD1  H N N 304 
PHE   HD2  H N N 305 
PHE   HE1  H N N 306 
PHE   HE2  H N N 307 
PHE   HZ   H N N 308 
PHE   HXT  H N N 309 
PRO   N    N N N 310 
PRO   CA   C N S 311 
PRO   C    C N N 312 
PRO   O    O N N 313 
PRO   CB   C N N 314 
PRO   CG   C N N 315 
PRO   CD   C N N 316 
PRO   OXT  O N N 317 
PRO   H    H N N 318 
PRO   HA   H N N 319 
PRO   HB2  H N N 320 
PRO   HB3  H N N 321 
PRO   HG2  H N N 322 
PRO   HG3  H N N 323 
PRO   HD2  H N N 324 
PRO   HD3  H N N 325 
PRO   HXT  H N N 326 
SER   N    N N N 327 
SER   CA   C N S 328 
SER   C    C N N 329 
SER   O    O N N 330 
SER   CB   C N N 331 
SER   OG   O N N 332 
SER   OXT  O N N 333 
SER   H    H N N 334 
SER   H2   H N N 335 
SER   HA   H N N 336 
SER   HB2  H N N 337 
SER   HB3  H N N 338 
SER   HG   H N N 339 
SER   HXT  H N N 340 
SO4   S    S N N 341 
SO4   O1   O N N 342 
SO4   O2   O N N 343 
SO4   O3   O N N 344 
SO4   O4   O N N 345 
THR   N    N N N 346 
THR   CA   C N S 347 
THR   C    C N N 348 
THR   O    O N N 349 
THR   CB   C N R 350 
THR   OG1  O N N 351 
THR   CG2  C N N 352 
THR   OXT  O N N 353 
THR   H    H N N 354 
THR   H2   H N N 355 
THR   HA   H N N 356 
THR   HB   H N N 357 
THR   HG1  H N N 358 
THR   HG21 H N N 359 
THR   HG22 H N N 360 
THR   HG23 H N N 361 
THR   HXT  H N N 362 
TRP   N    N N N 363 
TRP   CA   C N S 364 
TRP   C    C N N 365 
TRP   O    O N N 366 
TRP   CB   C N N 367 
TRP   CG   C Y N 368 
TRP   CD1  C Y N 369 
TRP   CD2  C Y N 370 
TRP   NE1  N Y N 371 
TRP   CE2  C Y N 372 
TRP   CE3  C Y N 373 
TRP   CZ2  C Y N 374 
TRP   CZ3  C Y N 375 
TRP   CH2  C Y N 376 
TRP   OXT  O N N 377 
TRP   H    H N N 378 
TRP   H2   H N N 379 
TRP   HA   H N N 380 
TRP   HB2  H N N 381 
TRP   HB3  H N N 382 
TRP   HD1  H N N 383 
TRP   HE1  H N N 384 
TRP   HE3  H N N 385 
TRP   HZ2  H N N 386 
TRP   HZ3  H N N 387 
TRP   HH2  H N N 388 
TRP   HXT  H N N 389 
TYR   N    N N N 390 
TYR   CA   C N S 391 
TYR   C    C N N 392 
TYR   O    O N N 393 
TYR   CB   C N N 394 
TYR   CG   C Y N 395 
TYR   CD1  C Y N 396 
TYR   CD2  C Y N 397 
TYR   CE1  C Y N 398 
TYR   CE2  C Y N 399 
TYR   CZ   C Y N 400 
TYR   OH   O N N 401 
TYR   OXT  O N N 402 
TYR   H    H N N 403 
TYR   H2   H N N 404 
TYR   HA   H N N 405 
TYR   HB2  H N N 406 
TYR   HB3  H N N 407 
TYR   HD1  H N N 408 
TYR   HD2  H N N 409 
TYR   HE1  H N N 410 
TYR   HE2  H N N 411 
TYR   HH   H N N 412 
TYR   HXT  H N N 413 
VAL   N    N N N 414 
VAL   CA   C N S 415 
VAL   C    C N N 416 
VAL   O    O N N 417 
VAL   CB   C N N 418 
VAL   CG1  C N N 419 
VAL   CG2  C N N 420 
VAL   OXT  O N N 421 
VAL   H    H N N 422 
VAL   H2   H N N 423 
VAL   HA   H N N 424 
VAL   HB   H N N 425 
VAL   HG11 H N N 426 
VAL   HG12 H N N 427 
VAL   HG13 H N N 428 
VAL   HG21 H N N 429 
VAL   HG22 H N N 430 
VAL   HG23 H N N 431 
VAL   HXT  H N N 432 
# 
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 
A1BDJ C   F    sing N N 1   
A1BDJ C   C1   doub Y N 2   
A1BDJ C1  C2   sing Y N 3   
A1BDJ C2  C3   doub Y N 4   
A1BDJ N   C3   sing N N 5   
A1BDJ C4  N    sing N N 6   
A1BDJ C4  C5   sing N N 7   
A1BDJ C5  C6   sing N N 8   
A1BDJ C6  O    sing N N 9   
A1BDJ O   C7   sing N N 10  
A1BDJ C7  C8   sing N N 11  
A1BDJ C8  C4   sing N N 12  
A1BDJ C3  N1   sing Y N 13  
A1BDJ N1  C9   doub Y N 14  
A1BDJ C9  C    sing Y N 15  
A1BDJ C4  H3   sing N N 16  
A1BDJ C5  H4   sing N N 17  
A1BDJ C5  H5   sing N N 18  
A1BDJ C6  H7   sing N N 19  
A1BDJ C6  H6   sing N N 20  
A1BDJ C7  H8   sing N N 21  
A1BDJ C7  H9   sing N N 22  
A1BDJ C8  H10  sing N N 23  
A1BDJ C8  H11  sing N N 24  
A1BDJ N   H2   sing N N 25  
A1BDJ C1  H    sing N N 26  
A1BDJ C2  H1   sing N N 27  
A1BDJ C9  H12  sing N N 28  
ALA   N   CA   sing N N 29  
ALA   N   H    sing N N 30  
ALA   N   H2   sing N N 31  
ALA   CA  C    sing N N 32  
ALA   CA  CB   sing N N 33  
ALA   CA  HA   sing N N 34  
ALA   C   O    doub N N 35  
ALA   C   OXT  sing N N 36  
ALA   CB  HB1  sing N N 37  
ALA   CB  HB2  sing N N 38  
ALA   CB  HB3  sing N N 39  
ALA   OXT HXT  sing N N 40  
ARG   N   CA   sing N N 41  
ARG   N   H    sing N N 42  
ARG   N   H2   sing N N 43  
ARG   CA  C    sing N N 44  
ARG   CA  CB   sing N N 45  
ARG   CA  HA   sing N N 46  
ARG   C   O    doub N N 47  
ARG   C   OXT  sing N N 48  
ARG   CB  CG   sing N N 49  
ARG   CB  HB2  sing N N 50  
ARG   CB  HB3  sing N N 51  
ARG   CG  CD   sing N N 52  
ARG   CG  HG2  sing N N 53  
ARG   CG  HG3  sing N N 54  
ARG   CD  NE   sing N N 55  
ARG   CD  HD2  sing N N 56  
ARG   CD  HD3  sing N N 57  
ARG   NE  CZ   sing N N 58  
ARG   NE  HE   sing N N 59  
ARG   CZ  NH1  sing N N 60  
ARG   CZ  NH2  doub N N 61  
ARG   NH1 HH11 sing N N 62  
ARG   NH1 HH12 sing N N 63  
ARG   NH2 HH21 sing N N 64  
ARG   NH2 HH22 sing N N 65  
ARG   OXT HXT  sing N N 66  
ASN   N   CA   sing N N 67  
ASN   N   H    sing N N 68  
ASN   N   H2   sing N N 69  
ASN   CA  C    sing N N 70  
ASN   CA  CB   sing N N 71  
ASN   CA  HA   sing N N 72  
ASN   C   O    doub N N 73  
ASN   C   OXT  sing N N 74  
ASN   CB  CG   sing N N 75  
ASN   CB  HB2  sing N N 76  
ASN   CB  HB3  sing N N 77  
ASN   CG  OD1  doub N N 78  
ASN   CG  ND2  sing N N 79  
ASN   ND2 HD21 sing N N 80  
ASN   ND2 HD22 sing N N 81  
ASN   OXT HXT  sing N N 82  
ASP   N   CA   sing N N 83  
ASP   N   H    sing N N 84  
ASP   N   H2   sing N N 85  
ASP   CA  C    sing N N 86  
ASP   CA  CB   sing N N 87  
ASP   CA  HA   sing N N 88  
ASP   C   O    doub N N 89  
ASP   C   OXT  sing N N 90  
ASP   CB  CG   sing N N 91  
ASP   CB  HB2  sing N N 92  
ASP   CB  HB3  sing N N 93  
ASP   CG  OD1  doub N N 94  
ASP   CG  OD2  sing N N 95  
ASP   OD2 HD2  sing N N 96  
ASP   OXT HXT  sing N N 97  
CYS   N   CA   sing N N 98  
CYS   N   H    sing N N 99  
CYS   N   H2   sing N N 100 
CYS   CA  C    sing N N 101 
CYS   CA  CB   sing N N 102 
CYS   CA  HA   sing N N 103 
CYS   C   O    doub N N 104 
CYS   C   OXT  sing N N 105 
CYS   CB  SG   sing N N 106 
CYS   CB  HB2  sing N N 107 
CYS   CB  HB3  sing N N 108 
CYS   SG  HG   sing N N 109 
CYS   OXT HXT  sing N N 110 
EDO   C1  O1   sing N N 111 
EDO   C1  C2   sing N N 112 
EDO   C1  H11  sing N N 113 
EDO   C1  H12  sing N N 114 
EDO   O1  HO1  sing N N 115 
EDO   C2  O2   sing N N 116 
EDO   C2  H21  sing N N 117 
EDO   C2  H22  sing N N 118 
EDO   O2  HO2  sing N N 119 
GLN   N   CA   sing N N 120 
GLN   N   H    sing N N 121 
GLN   N   H2   sing N N 122 
GLN   CA  C    sing N N 123 
GLN   CA  CB   sing N N 124 
GLN   CA  HA   sing N N 125 
GLN   C   O    doub N N 126 
GLN   C   OXT  sing N N 127 
GLN   CB  CG   sing N N 128 
GLN   CB  HB2  sing N N 129 
GLN   CB  HB3  sing N N 130 
GLN   CG  CD   sing N N 131 
GLN   CG  HG2  sing N N 132 
GLN   CG  HG3  sing N N 133 
GLN   CD  OE1  doub N N 134 
GLN   CD  NE2  sing N N 135 
GLN   NE2 HE21 sing N N 136 
GLN   NE2 HE22 sing N N 137 
GLN   OXT HXT  sing N N 138 
GLU   N   CA   sing N N 139 
GLU   N   H    sing N N 140 
GLU   N   H2   sing N N 141 
GLU   CA  C    sing N N 142 
GLU   CA  CB   sing N N 143 
GLU   CA  HA   sing N N 144 
GLU   C   O    doub N N 145 
GLU   C   OXT  sing N N 146 
GLU   CB  CG   sing N N 147 
GLU   CB  HB2  sing N N 148 
GLU   CB  HB3  sing N N 149 
GLU   CG  CD   sing N N 150 
GLU   CG  HG2  sing N N 151 
GLU   CG  HG3  sing N N 152 
GLU   CD  OE1  doub N N 153 
GLU   CD  OE2  sing N N 154 
GLU   OE2 HE2  sing N N 155 
GLU   OXT HXT  sing N N 156 
GLY   N   CA   sing N N 157 
GLY   N   H    sing N N 158 
GLY   N   H2   sing N N 159 
GLY   CA  C    sing N N 160 
GLY   CA  HA2  sing N N 161 
GLY   CA  HA3  sing N N 162 
GLY   C   O    doub N N 163 
GLY   C   OXT  sing N N 164 
GLY   OXT HXT  sing N N 165 
HIS   N   CA   sing N N 166 
HIS   N   H    sing N N 167 
HIS   N   H2   sing N N 168 
HIS   CA  C    sing N N 169 
HIS   CA  CB   sing N N 170 
HIS   CA  HA   sing N N 171 
HIS   C   O    doub N N 172 
HIS   C   OXT  sing N N 173 
HIS   CB  CG   sing N N 174 
HIS   CB  HB2  sing N N 175 
HIS   CB  HB3  sing N N 176 
HIS   CG  ND1  sing Y N 177 
HIS   CG  CD2  doub Y N 178 
HIS   ND1 CE1  doub Y N 179 
HIS   ND1 HD1  sing N N 180 
HIS   CD2 NE2  sing Y N 181 
HIS   CD2 HD2  sing N N 182 
HIS   CE1 NE2  sing Y N 183 
HIS   CE1 HE1  sing N N 184 
HIS   NE2 HE2  sing N N 185 
HIS   OXT HXT  sing N N 186 
HOH   O   H1   sing N N 187 
HOH   O   H2   sing N N 188 
ILE   N   CA   sing N N 189 
ILE   N   H    sing N N 190 
ILE   N   H2   sing N N 191 
ILE   CA  C    sing N N 192 
ILE   CA  CB   sing N N 193 
ILE   CA  HA   sing N N 194 
ILE   C   O    doub N N 195 
ILE   C   OXT  sing N N 196 
ILE   CB  CG1  sing N N 197 
ILE   CB  CG2  sing N N 198 
ILE   CB  HB   sing N N 199 
ILE   CG1 CD1  sing N N 200 
ILE   CG1 HG12 sing N N 201 
ILE   CG1 HG13 sing N N 202 
ILE   CG2 HG21 sing N N 203 
ILE   CG2 HG22 sing N N 204 
ILE   CG2 HG23 sing N N 205 
ILE   CD1 HD11 sing N N 206 
ILE   CD1 HD12 sing N N 207 
ILE   CD1 HD13 sing N N 208 
ILE   OXT HXT  sing N N 209 
LEU   N   CA   sing N N 210 
LEU   N   H    sing N N 211 
LEU   N   H2   sing N N 212 
LEU   CA  C    sing N N 213 
LEU   CA  CB   sing N N 214 
LEU   CA  HA   sing N N 215 
LEU   C   O    doub N N 216 
LEU   C   OXT  sing N N 217 
LEU   CB  CG   sing N N 218 
LEU   CB  HB2  sing N N 219 
LEU   CB  HB3  sing N N 220 
LEU   CG  CD1  sing N N 221 
LEU   CG  CD2  sing N N 222 
LEU   CG  HG   sing N N 223 
LEU   CD1 HD11 sing N N 224 
LEU   CD1 HD12 sing N N 225 
LEU   CD1 HD13 sing N N 226 
LEU   CD2 HD21 sing N N 227 
LEU   CD2 HD22 sing N N 228 
LEU   CD2 HD23 sing N N 229 
LEU   OXT HXT  sing N N 230 
LYS   N   CA   sing N N 231 
LYS   N   H    sing N N 232 
LYS   N   H2   sing N N 233 
LYS   CA  C    sing N N 234 
LYS   CA  CB   sing N N 235 
LYS   CA  HA   sing N N 236 
LYS   C   O    doub N N 237 
LYS   C   OXT  sing N N 238 
LYS   CB  CG   sing N N 239 
LYS   CB  HB2  sing N N 240 
LYS   CB  HB3  sing N N 241 
LYS   CG  CD   sing N N 242 
LYS   CG  HG2  sing N N 243 
LYS   CG  HG3  sing N N 244 
LYS   CD  CE   sing N N 245 
LYS   CD  HD2  sing N N 246 
LYS   CD  HD3  sing N N 247 
LYS   CE  NZ   sing N N 248 
LYS   CE  HE2  sing N N 249 
LYS   CE  HE3  sing N N 250 
LYS   NZ  HZ1  sing N N 251 
LYS   NZ  HZ2  sing N N 252 
LYS   NZ  HZ3  sing N N 253 
LYS   OXT HXT  sing N N 254 
MET   N   CA   sing N N 255 
MET   N   H    sing N N 256 
MET   N   H2   sing N N 257 
MET   CA  C    sing N N 258 
MET   CA  CB   sing N N 259 
MET   CA  HA   sing N N 260 
MET   C   O    doub N N 261 
MET   C   OXT  sing N N 262 
MET   CB  CG   sing N N 263 
MET   CB  HB2  sing N N 264 
MET   CB  HB3  sing N N 265 
MET   CG  SD   sing N N 266 
MET   CG  HG2  sing N N 267 
MET   CG  HG3  sing N N 268 
MET   SD  CE   sing N N 269 
MET   CE  HE1  sing N N 270 
MET   CE  HE2  sing N N 271 
MET   CE  HE3  sing N N 272 
MET   OXT HXT  sing N N 273 
PHE   N   CA   sing N N 274 
PHE   N   H    sing N N 275 
PHE   N   H2   sing N N 276 
PHE   CA  C    sing N N 277 
PHE   CA  CB   sing N N 278 
PHE   CA  HA   sing N N 279 
PHE   C   O    doub N N 280 
PHE   C   OXT  sing N N 281 
PHE   CB  CG   sing N N 282 
PHE   CB  HB2  sing N N 283 
PHE   CB  HB3  sing N N 284 
PHE   CG  CD1  doub Y N 285 
PHE   CG  CD2  sing Y N 286 
PHE   CD1 CE1  sing Y N 287 
PHE   CD1 HD1  sing N N 288 
PHE   CD2 CE2  doub Y N 289 
PHE   CD2 HD2  sing N N 290 
PHE   CE1 CZ   doub Y N 291 
PHE   CE1 HE1  sing N N 292 
PHE   CE2 CZ   sing Y N 293 
PHE   CE2 HE2  sing N N 294 
PHE   CZ  HZ   sing N N 295 
PHE   OXT HXT  sing N N 296 
PRO   N   CA   sing N N 297 
PRO   N   CD   sing N N 298 
PRO   N   H    sing N N 299 
PRO   CA  C    sing N N 300 
PRO   CA  CB   sing N N 301 
PRO   CA  HA   sing N N 302 
PRO   C   O    doub N N 303 
PRO   C   OXT  sing N N 304 
PRO   CB  CG   sing N N 305 
PRO   CB  HB2  sing N N 306 
PRO   CB  HB3  sing N N 307 
PRO   CG  CD   sing N N 308 
PRO   CG  HG2  sing N N 309 
PRO   CG  HG3  sing N N 310 
PRO   CD  HD2  sing N N 311 
PRO   CD  HD3  sing N N 312 
PRO   OXT HXT  sing N N 313 
SER   N   CA   sing N N 314 
SER   N   H    sing N N 315 
SER   N   H2   sing N N 316 
SER   CA  C    sing N N 317 
SER   CA  CB   sing N N 318 
SER   CA  HA   sing N N 319 
SER   C   O    doub N N 320 
SER   C   OXT  sing N N 321 
SER   CB  OG   sing N N 322 
SER   CB  HB2  sing N N 323 
SER   CB  HB3  sing N N 324 
SER   OG  HG   sing N N 325 
SER   OXT HXT  sing N N 326 
SO4   S   O1   doub N N 327 
SO4   S   O2   doub N N 328 
SO4   S   O3   sing N N 329 
SO4   S   O4   sing N N 330 
THR   N   CA   sing N N 331 
THR   N   H    sing N N 332 
THR   N   H2   sing N N 333 
THR   CA  C    sing N N 334 
THR   CA  CB   sing N N 335 
THR   CA  HA   sing N N 336 
THR   C   O    doub N N 337 
THR   C   OXT  sing N N 338 
THR   CB  OG1  sing N N 339 
THR   CB  CG2  sing N N 340 
THR   CB  HB   sing N N 341 
THR   OG1 HG1  sing N N 342 
THR   CG2 HG21 sing N N 343 
THR   CG2 HG22 sing N N 344 
THR   CG2 HG23 sing N N 345 
THR   OXT HXT  sing N N 346 
TRP   N   CA   sing N N 347 
TRP   N   H    sing N N 348 
TRP   N   H2   sing N N 349 
TRP   CA  C    sing N N 350 
TRP   CA  CB   sing N N 351 
TRP   CA  HA   sing N N 352 
TRP   C   O    doub N N 353 
TRP   C   OXT  sing N N 354 
TRP   CB  CG   sing N N 355 
TRP   CB  HB2  sing N N 356 
TRP   CB  HB3  sing N N 357 
TRP   CG  CD1  doub Y N 358 
TRP   CG  CD2  sing Y N 359 
TRP   CD1 NE1  sing Y N 360 
TRP   CD1 HD1  sing N N 361 
TRP   CD2 CE2  doub Y N 362 
TRP   CD2 CE3  sing Y N 363 
TRP   NE1 CE2  sing Y N 364 
TRP   NE1 HE1  sing N N 365 
TRP   CE2 CZ2  sing Y N 366 
TRP   CE3 CZ3  doub Y N 367 
TRP   CE3 HE3  sing N N 368 
TRP   CZ2 CH2  doub Y N 369 
TRP   CZ2 HZ2  sing N N 370 
TRP   CZ3 CH2  sing Y N 371 
TRP   CZ3 HZ3  sing N N 372 
TRP   CH2 HH2  sing N N 373 
TRP   OXT HXT  sing N N 374 
TYR   N   CA   sing N N 375 
TYR   N   H    sing N N 376 
TYR   N   H2   sing N N 377 
TYR   CA  C    sing N N 378 
TYR   CA  CB   sing N N 379 
TYR   CA  HA   sing N N 380 
TYR   C   O    doub N N 381 
TYR   C   OXT  sing N N 382 
TYR   CB  CG   sing N N 383 
TYR   CB  HB2  sing N N 384 
TYR   CB  HB3  sing N N 385 
TYR   CG  CD1  doub Y N 386 
TYR   CG  CD2  sing Y N 387 
TYR   CD1 CE1  sing Y N 388 
TYR   CD1 HD1  sing N N 389 
TYR   CD2 CE2  doub Y N 390 
TYR   CD2 HD2  sing N N 391 
TYR   CE1 CZ   doub Y N 392 
TYR   CE1 HE1  sing N N 393 
TYR   CE2 CZ   sing Y N 394 
TYR   CE2 HE2  sing N N 395 
TYR   CZ  OH   sing N N 396 
TYR   OH  HH   sing N N 397 
TYR   OXT HXT  sing N N 398 
VAL   N   CA   sing N N 399 
VAL   N   H    sing N N 400 
VAL   N   H2   sing N N 401 
VAL   CA  C    sing N N 402 
VAL   CA  CB   sing N N 403 
VAL   CA  HA   sing N N 404 
VAL   C   O    doub N N 405 
VAL   C   OXT  sing N N 406 
VAL   CB  CG1  sing N N 407 
VAL   CB  CG2  sing N N 408 
VAL   CB  HB   sing N N 409 
VAL   CG1 HG11 sing N N 410 
VAL   CG1 HG12 sing N N 411 
VAL   CG1 HG13 sing N N 412 
VAL   CG2 HG21 sing N N 413 
VAL   CG2 HG22 sing N N 414 
VAL   CG2 HG23 sing N N 415 
VAL   OXT HXT  sing N N 416 
# 
_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                    7HM6 
_atom_sites.fract_transf_matrix[1][1]   0.010458 
_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]   0.010458 
_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]   0.021813 
_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 
F 
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   ? -13.072 -13.015 -9.898  1.00 67.77 ? 8   HIS   B N   1 
ATOM   2    C CA  . HIS   A 1 2   ? -12.655 -13.603 -11.220 1.00 62.04 ? 8   HIS   B CA  1 
ATOM   3    C C   . HIS   A 1 2   ? -11.600 -12.705 -11.887 1.00 61.12 ? 8   HIS   B C   1 
ATOM   4    O O   . HIS   A 1 2   ? -11.542 -11.494 -11.558 1.00 66.55 ? 8   HIS   B O   1 
ATOM   5    C CB  . HIS   A 1 2   ? -13.882 -13.845 -12.126 1.00 54.64 ? 8   HIS   B CB  1 
ATOM   6    C CG  . HIS   A 1 2   ? -14.504 -12.611 -12.705 1.00 50.75 ? 8   HIS   B CG  1 
ATOM   7    N ND1 . HIS   A 1 2   ? -14.011 -11.997 -13.850 1.00 50.13 ? 8   HIS   B ND1 1 
ATOM   8    C CD2 . HIS   A 1 2   ? -15.591 -11.892 -12.336 1.00 45.79 ? 8   HIS   B CD2 1 
ATOM   9    C CE1 . HIS   A 1 2   ? -14.752 -10.943 -14.138 1.00 48.49 ? 8   HIS   B CE1 1 
ATOM   10   N NE2 . HIS   A 1 2   ? -15.733 -10.855 -13.232 1.00 43.40 ? 8   HIS   B NE2 1 
ATOM   11   N N   . HIS   A 1 3   ? -10.830 -13.285 -12.815 1.00 57.00 ? 9   HIS   B N   1 
ATOM   12   C CA  . HIS   A 1 3   ? -9.773  -12.618 -13.623 1.00 54.80 ? 9   HIS   B CA  1 
ATOM   13   C C   . HIS   A 1 3   ? -10.089 -12.775 -15.121 1.00 48.95 ? 9   HIS   B C   1 
ATOM   14   O O   . HIS   A 1 3   ? -9.150  -13.082 -15.897 1.00 47.48 ? 9   HIS   B O   1 
ATOM   15   C CB  . HIS   A 1 3   ? -8.396  -13.161 -13.191 1.00 62.99 ? 9   HIS   B CB  1 
ATOM   16   C CG  . HIS   A 1 3   ? -8.132  -12.960 -11.731 1.00 72.45 ? 9   HIS   B CG  1 
ATOM   17   N ND1 . HIS   A 1 3   ? -8.170  -11.704 -11.133 1.00 72.90 ? 9   HIS   B ND1 1 
ATOM   18   C CD2 . HIS   A 1 3   ? -7.847  -13.835 -10.741 1.00 76.23 ? 9   HIS   B CD2 1 
ATOM   19   C CE1 . HIS   A 1 3   ? -7.916  -11.818 -9.846  1.00 73.00 ? 9   HIS   B CE1 1 
ATOM   20   N NE2 . HIS   A 1 3   ? -7.711  -13.116 -9.580  1.00 77.34 ? 9   HIS   B NE2 1 
ATOM   21   N N   . HIS   A 1 4   ? -11.359 -12.565 -15.521 1.00 38.37 ? 10  HIS   B N   1 
ATOM   22   C CA  . HIS   A 1 4   ? -11.846 -12.714 -16.926 1.00 32.19 ? 10  HIS   B CA  1 
ATOM   23   C C   . HIS   A 1 4   ? -11.825 -11.366 -17.648 1.00 32.14 ? 10  HIS   B C   1 
ATOM   24   O O   . HIS   A 1 4   ? -11.934 -11.350 -18.884 1.00 29.39 ? 10  HIS   B O   1 
ATOM   25   C CB  . HIS   A 1 4   ? -13.270 -13.291 -16.976 1.00 30.24 ? 10  HIS   B CB  1 
ATOM   26   C CG  . HIS   A 1 4   ? -13.393 -14.650 -16.382 1.00 29.81 ? 10  HIS   B CG  1 
ATOM   27   N ND1 . HIS   A 1 4   ? -12.503 -15.694 -16.675 1.00 29.77 ? 10  HIS   B ND1 1 
ATOM   28   C CD2 . HIS   A 1 4   ? -14.287 -15.148 -15.504 1.00 28.51 ? 10  HIS   B CD2 1 
ATOM   29   C CE1 . HIS   A 1 4   ? -12.869 -16.774 -16.002 1.00 33.22 ? 10  HIS   B CE1 1 
ATOM   30   N NE2 . HIS   A 1 4   ? -13.968 -16.465 -15.290 1.00 31.77 ? 10  HIS   B NE2 1 
ATOM   31   N N   . HIS   A 1 5   ? -11.689 -10.266 -16.902 1.00 33.41 ? 11  HIS   B N   1 
ATOM   32   C CA  . HIS   A 1 5   ? -11.791 -8.877  -17.430 1.00 37.21 ? 11  HIS   B CA  1 
ATOM   33   C C   . HIS   A 1 5   ? -10.882 -8.688  -18.659 1.00 35.06 ? 11  HIS   B C   1 
ATOM   34   O O   . HIS   A 1 5   ? -11.315 -7.973  -19.585 1.00 33.86 ? 11  HIS   B O   1 
ATOM   35   C CB  . HIS   A 1 5   ? -11.507 -7.824  -16.332 1.00 46.42 ? 11  HIS   B CB  1 
ATOM   36   C CG  . HIS   A 1 5   ? -12.247 -8.032  -15.047 1.00 60.31 ? 11  HIS   B CG  1 
ATOM   37   N ND1 . HIS   A 1 5   ? -11.679 -8.691  -13.952 1.00 72.03 ? 11  HIS   B ND1 1 
ATOM   38   C CD2 . HIS   A 1 5   ? -13.491 -7.664  -14.656 1.00 68.68 ? 11  HIS   B CD2 1 
ATOM   39   C CE1 . HIS   A 1 5   ? -12.549 -8.726  -12.956 1.00 71.75 ? 11  HIS   B CE1 1 
ATOM   40   N NE2 . HIS   A 1 5   ? -13.670 -8.101  -13.362 1.00 72.77 ? 11  HIS   B NE2 1 
ATOM   41   N N   . HIS   A 1 6   ? -9.695  -9.328  -18.705 1.00 32.29 ? 12  HIS   B N   1 
ATOM   42   C CA  . HIS   A 1 6   ? -8.673  -9.177  -19.780 1.00 32.25 ? 12  HIS   B CA  1 
ATOM   43   C C   . HIS   A 1 6   ? -9.115  -9.806  -21.107 1.00 29.33 ? 12  HIS   B C   1 
ATOM   44   O O   . HIS   A 1 6   ? -8.449  -9.542  -22.125 1.00 32.67 ? 12  HIS   B O   1 
ATOM   45   C CB  . HIS   A 1 6   ? -7.307  -9.720  -19.337 1.00 36.71 ? 12  HIS   B CB  1 
ATOM   46   C CG  . HIS   A 1 6   ? -7.228  -11.186 -19.088 1.00 36.72 ? 12  HIS   B CG  1 
ATOM   47   N ND1 . HIS   A 1 6   ? -6.573  -12.045 -19.954 1.00 45.04 ? 12  HIS   B ND1 1 
ATOM   48   C CD2 . HIS   A 1 6   ? -7.636  -11.941 -18.043 1.00 39.83 ? 12  HIS   B CD2 1 
ATOM   49   C CE1 . HIS   A 1 6   ? -6.614  -13.275 -19.476 1.00 37.66 ? 12  HIS   B CE1 1 
ATOM   50   N NE2 . HIS   A 1 6   ? -7.263  -13.243 -18.305 1.00 44.52 ? 12  HIS   B NE2 1 
ATOM   51   N N   . HIS   A 1 7   ? -10.171 -10.634 -21.124 1.00 24.44 ? 13  HIS   B N   1 
ATOM   52   C CA  . HIS   A 1 7   ? -10.805 -11.153 -22.372 1.00 21.56 ? 13  HIS   B CA  1 
ATOM   53   C C   . HIS   A 1 7   ? -11.920 -10.227 -22.836 1.00 19.79 ? 13  HIS   B C   1 
ATOM   54   O O   . HIS   A 1 7   ? -12.776 -10.707 -23.605 1.00 16.89 ? 13  HIS   B O   1 
ATOM   55   C CB  . HIS   A 1 7   ? -11.358 -12.558 -22.145 1.00 19.97 ? 13  HIS   B CB  1 
ATOM   56   C CG  . HIS   A 1 7   ? -10.292 -13.527 -21.729 1.00 21.44 ? 13  HIS   B CG  1 
ATOM   57   N ND1 . HIS   A 1 7   ? -9.247  -13.836 -22.580 1.00 22.36 ? 13  HIS   B ND1 1 
ATOM   58   C CD2 . HIS   A 1 7   ? -10.119 -14.229 -20.588 1.00 22.78 ? 13  HIS   B CD2 1 
ATOM   59   C CE1 . HIS   A 1 7   ? -8.454  -14.702 -21.975 1.00 21.72 ? 13  HIS   B CE1 1 
ATOM   60   N NE2 . HIS   A 1 7   ? -8.931  -14.939 -20.738 1.00 25.86 ? 13  HIS   B NE2 1 
ATOM   61   N N   . MET   A 1 8   ? -11.969 -9.009  -22.317 1.00 20.31 ? 14  MET   B N   1 
ATOM   62   C CA  . MET   A 1 8   ? -13.014 -8.024  -22.666 1.00 22.64 ? 14  MET   B CA  1 
ATOM   63   C C   . MET   A 1 8   ? -13.111 -7.888  -24.197 1.00 20.56 ? 14  MET   B C   1 
ATOM   64   O O   . MET   A 1 8   ? -12.071 -7.797  -24.942 1.00 23.51 ? 14  MET   B O   1 
ATOM   65   C CB  . MET   A 1 8   ? -12.727 -6.666  -22.019 1.00 29.01 ? 14  MET   B CB  1 
ATOM   66   C CG  . MET   A 1 8   ? -13.760 -5.571  -22.325 1.00 34.94 ? 14  MET   B CG  1 
ATOM   67   S SD  . MET   A 1 8   ? -15.389 -5.788  -21.508 1.00 44.91 ? 14  MET   B SD  1 
ATOM   68   C CE  . MET   A 1 8   ? -15.042 -5.147  -19.878 1.00 34.29 ? 14  MET   B CE  1 
ATOM   69   N N   . VAL   A 1 9   ? -14.338 -7.847  -24.702 1.00 18.10 ? 15  VAL   B N   1 
ATOM   70   C CA  . VAL   A 1 9   ? -14.650 -7.621  -26.138 1.00 18.67 ? 15  VAL   B CA  1 
ATOM   71   C C   . VAL   A 1 9   ? -15.641 -6.447  -26.224 1.00 18.94 ? 15  VAL   B C   1 
ATOM   72   O O   . VAL   A 1 9   ? -16.490 -6.301  -25.310 1.00 18.98 ? 15  VAL   B O   1 
ATOM   73   C CB  . VAL   A 1 9   ? -15.152 -8.882  -26.871 1.00 19.37 ? 15  VAL   B CB  1 
ATOM   74   C CG1 . VAL   A 1 9   ? -14.037 -9.907  -26.963 1.00 21.80 ? 15  VAL   B CG1 1 
ATOM   75   C CG2 . VAL   A 1 9   ? -16.382 -9.512  -26.246 1.00 20.60 ? 15  VAL   B CG2 1 
ATOM   76   N N   . HIS   A 1 10  ? -15.579 -5.671  -27.304 1.00 19.31 ? 16  HIS   B N   1 
ATOM   77   C CA  . HIS   A 1 10  ? -16.458 -4.505  -27.538 1.00 18.87 ? 16  HIS   B CA  1 
ATOM   78   C C   . HIS   A 1 10  ? -17.675 -5.009  -28.315 1.00 19.05 ? 16  HIS   B C   1 
ATOM   79   O O   . HIS   A 1 10  ? -17.535 -5.421  -29.476 1.00 20.77 ? 16  HIS   B O   1 
ATOM   80   C CB  . HIS   A 1 10  ? -15.731 -3.434  -28.347 1.00 20.65 ? 16  HIS   B CB  1 
ATOM   81   C CG  . HIS   A 1 10  ? -16.504 -2.168  -28.561 1.00 25.86 ? 16  HIS   B CG  1 
ATOM   82   N ND1 . HIS   A 1 10  ? -16.647 -1.210  -27.571 1.00 29.29 ? 16  HIS   B ND1 1 
ATOM   83   C CD2 . HIS   A 1 10  ? -17.159 -1.695  -29.653 1.00 29.23 ? 16  HIS   B CD2 1 
ATOM   84   C CE1 . HIS   A 1 10  ? -17.351 -0.188  -28.047 1.00 27.12 ? 16  HIS   B CE1 1 
ATOM   85   N NE2 . HIS   A 1 10  ? -17.697 -0.473  -29.324 1.00 30.83 ? 16  HIS   B NE2 1 
ATOM   86   N N   . ILE   A 1 11  ? -18.800 -5.135  -27.633 1.00 14.80 ? 17  ILE   B N   1 
ATOM   87   C CA  . ILE   A 1 11  ? -20.045 -5.650  -28.241 1.00 15.75 ? 17  ILE   B CA  1 
ATOM   88   C C   . ILE   A 1 11  ? -20.878 -4.464  -28.743 1.00 15.64 ? 17  ILE   B C   1 
ATOM   89   O O   . ILE   A 1 11  ? -20.900 -3.441  -28.114 1.00 15.49 ? 17  ILE   B O   1 
ATOM   90   C CB  . ILE   A 1 11  ? -20.832 -6.476  -27.200 1.00 15.16 ? 17  ILE   B CB  1 
ATOM   91   C CG1 . ILE   A 1 11  ? -20.022 -7.674  -26.695 1.00 15.90 ? 17  ILE   B CG1 1 
ATOM   92   C CG2 . ILE   A 1 11  ? -22.158 -6.914  -27.791 1.00 14.75 ? 17  ILE   B CG2 1 
ATOM   93   C CD1 . ILE   A 1 11  ? -19.484 -8.577  -27.792 1.00 15.98 ? 17  ILE   B CD1 1 
ATOM   94   N N   . THR   A 1 12  ? -21.465 -4.633  -29.910 1.00 14.73 ? 18  THR   B N   1 
ATOM   95   C CA  . THR   A 1 12  ? -22.453 -3.666  -30.454 1.00 15.43 ? 18  THR   B CA  1 
ATOM   96   C C   . THR   A 1 12  ? -23.699 -4.439  -30.852 1.00 15.34 ? 18  THR   B C   1 
ATOM   97   O O   . THR   A 1 12  ? -23.650 -5.655  -31.106 1.00 16.15 ? 18  THR   B O   1 
ATOM   98   C CB  . THR   A 1 12  ? -21.872 -2.861  -31.622 1.00 17.96 ? 18  THR   B CB  1 
ATOM   99   O OG1 . THR   A 1 12  ? -21.544 -3.758  -32.660 1.00 18.19 ? 18  THR   B OG1 1 
ATOM   100  C CG2 . THR   A 1 12  ? -20.677 -1.995  -31.247 1.00 20.11 ? 18  THR   B CG2 1 
ATOM   101  N N   . LEU   A 1 13  ? -24.840 -3.741  -30.841 1.00 14.26 ? 19  LEU   B N   1 
ATOM   102  C CA  . LEU   A 1 13  ? -26.127 -4.383  -31.151 1.00 14.26 ? 19  LEU   B CA  1 
ATOM   103  C C   . LEU   A 1 13  ? -26.406 -4.367  -32.649 1.00 14.13 ? 19  LEU   B C   1 
ATOM   104  O O   . LEU   A 1 13  ? -26.106 -3.338  -33.300 1.00 15.43 ? 19  LEU   B O   1 
ATOM   105  C CB  . LEU   A 1 13  ? -27.211 -3.651  -30.374 1.00 14.11 ? 19  LEU   B CB  1 
ATOM   106  C CG  . LEU   A 1 13  ? -27.012 -3.716  -28.867 1.00 15.30 ? 19  LEU   B CG  1 
ATOM   107  C CD1 . LEU   A 1 13  ? -27.958 -2.794  -28.104 1.00 17.10 ? 19  LEU   B CD1 1 
ATOM   108  C CD2 . LEU   A 1 13  ? -27.128 -5.162  -28.385 1.00 16.68 ? 19  LEU   B CD2 1 
ATOM   109  N N   . ASP   A 1 14  ? -27.028 -5.400  -33.139 1.00 12.83 ? 20  ASP   B N   1 
ATOM   110  C CA  . ASP   A 1 14  ? -27.405 -5.577  -34.568 1.00 13.18 ? 20  ASP   B CA  1 
ATOM   111  C C   . ASP   A 1 14  ? -28.906 -5.188  -34.720 1.00 14.11 ? 20  ASP   B C   1 
ATOM   112  O O   . ASP   A 1 14  ? -29.791 -6.006  -34.438 1.00 13.46 ? 20  ASP   B O   1 
ATOM   113  C CB  . ASP   A 1 14  ? -27.131 -6.997  -35.063 1.00 13.19 ? 20  ASP   B CB  1 
ATOM   114  C CG  . ASP   A 1 14  ? -27.439 -7.248  -36.529 1.00 18.55 ? 20  ASP   B CG  1 
ATOM   115  O OD1 . ASP   A 1 14  ? -28.086 -6.359  -37.111 1.00 17.66 ? 20  ASP   B OD1 1 
ATOM   116  O OD2 . ASP   A 1 14  ? -27.142 -8.375  -37.045 1.00 17.64 ? 20  ASP   B OD2 1 
ATOM   117  N N   A ARG   A 1 15  ? -29.136 -3.938  -35.152 0.25 14.60 ? 21  ARG   B N   1 
ATOM   118  N N   B ARG   A 1 15  ? -29.167 -3.955  -35.163 0.25 15.16 ? 21  ARG   B N   1 
ATOM   119  C CA  A ARG   A 1 15  ? -30.456 -3.321  -35.490 0.25 16.16 ? 21  ARG   B CA  1 
ATOM   120  C CA  B ARG   A 1 15  ? -30.539 -3.393  -35.325 0.25 16.88 ? 21  ARG   B CA  1 
ATOM   121  C C   A ARG   A 1 15  ? -31.362 -4.284  -36.249 0.25 15.41 ? 21  ARG   B C   1 
ATOM   122  C C   B ARG   A 1 15  ? -31.388 -4.263  -36.268 0.25 15.90 ? 21  ARG   B C   1 
ATOM   123  O O   A ARG   A 1 15  ? -32.590 -4.277  -36.016 0.25 14.98 ? 21  ARG   B O   1 
ATOM   124  O O   B ARG   A 1 15  ? -32.629 -4.215  -36.145 0.25 14.85 ? 21  ARG   B O   1 
ATOM   125  C CB  A ARG   A 1 15  ? -30.271 -2.121  -36.435 0.25 17.03 ? 21  ARG   B CB  1 
ATOM   126  C CB  B ARG   A 1 15  ? -30.470 -1.954  -35.862 0.25 19.45 ? 21  ARG   B CB  1 
ATOM   127  C CG  A ARG   A 1 15  ? -29.399 -1.016  -35.870 0.25 19.51 ? 21  ARG   B CG  1 
ATOM   128  C CG  B ARG   A 1 15  ? -29.712 -0.967  -34.985 0.25 22.13 ? 21  ARG   B CG  1 
ATOM   129  C CD  A ARG   A 1 15  ? -29.473 0.294   -36.640 0.25 19.32 ? 21  ARG   B CD  1 
ATOM   130  C CD  B ARG   A 1 15  ? -28.343 -0.573  -35.535 0.25 26.06 ? 21  ARG   B CD  1 
ATOM   131  N NE  A ARG   A 1 15  ? -28.901 1.326   -35.794 0.25 19.23 ? 21  ARG   B NE  1 
ATOM   132  N NE  B ARG   A 1 15  ? -28.361 0.436   -36.599 0.25 27.99 ? 21  ARG   B NE  1 
ATOM   133  C CZ  A ARG   A 1 15  ? -29.557 1.869   -34.789 0.25 18.43 ? 21  ARG   B CZ  1 
ATOM   134  C CZ  B ARG   A 1 15  ? -27.829 0.295   -37.817 0.25 30.60 ? 21  ARG   B CZ  1 
ATOM   135  N NH1 A ARG   A 1 15  ? -30.802 1.503   -34.565 0.25 19.91 ? 21  ARG   B NH1 1 
ATOM   136  N NH1 B ARG   A 1 15  ? -27.203 -0.816  -38.167 0.25 31.85 ? 21  ARG   B NH1 1 
ATOM   137  N NH2 A ARG   A 1 15  ? -28.988 2.772   -34.023 0.25 19.80 ? 21  ARG   B NH2 1 
ATOM   138  N NH2 B ARG   A 1 15  ? -27.916 1.284   -38.688 0.25 32.08 ? 21  ARG   B NH2 1 
ATOM   139  N N   . ASN   A 1 16  ? -30.789 -5.010  -37.205 1.00 15.70 ? 22  ASN   B N   1 
ATOM   140  C CA  . ASN   A 1 16  ? -31.571 -5.840  -38.145 1.00 16.40 ? 22  ASN   B CA  1 
ATOM   141  C C   . ASN   A 1 16  ? -32.239 -7.027  -37.438 1.00 14.86 ? 22  ASN   B C   1 
ATOM   142  O O   . ASN   A 1 16  ? -33.252 -7.529  -37.931 1.00 14.51 ? 22  ASN   B O   1 
ATOM   143  C CB  . ASN   A 1 16  ? -30.688 -6.250  -39.328 1.00 19.99 ? 22  ASN   B CB  1 
ATOM   144  C CG  . ASN   A 1 16  ? -30.539 -5.114  -40.329 1.00 26.83 ? 22  ASN   B CG  1 
ATOM   145  O OD1 . ASN   A 1 16  ? -31.331 -4.160  -40.361 1.00 35.22 ? 22  ASN   B OD1 1 
ATOM   146  N ND2 . ASN   A 1 16  ? -29.513 -5.202  -41.156 1.00 38.34 ? 22  ASN   B ND2 1 
ATOM   147  N N   . THR   A 1 17  ? -31.705 -7.451  -36.263 1.00 12.83 ? 23  THR   B N   1 
ATOM   148  C CA  . THR   A 1 17  ? -32.244 -8.572  -35.484 1.00 13.19 ? 23  THR   B CA  1 
ATOM   149  C C   . THR   A 1 17  ? -33.294 -8.097  -34.479 1.00 12.09 ? 23  THR   B C   1 
ATOM   150  O O   . THR   A 1 17  ? -33.963 -8.945  -33.883 1.00 12.02 ? 23  THR   B O   1 
ATOM   151  C CB  . THR   A 1 17  ? -31.150 -9.367  -34.761 1.00 13.43 ? 23  THR   B CB  1 
ATOM   152  O OG1 . THR   A 1 17  ? -30.607 -8.571  -33.700 1.00 13.02 ? 23  THR   B OG1 1 
ATOM   153  C CG2 . THR   A 1 17  ? -30.120 -9.874  -35.756 1.00 13.37 ? 23  THR   B CG2 1 
ATOM   154  N N   . ALA   A 1 18  ? -33.392 -6.796  -34.239 1.00 11.16 ? 24  ALA   B N   1 
ATOM   155  C CA  . ALA   A 1 18  ? -34.219 -6.254  -33.126 1.00 11.14 ? 24  ALA   B CA  1 
ATOM   156  C C   . ALA   A 1 18  ? -35.707 -6.464  -33.401 1.00 12.07 ? 24  ALA   B C   1 
ATOM   157  O O   . ALA   A 1 18  ? -36.190 -6.169  -34.525 1.00 12.70 ? 24  ALA   B O   1 
ATOM   158  C CB  . ALA   A 1 18  ? -33.932 -4.800  -32.932 1.00 12.22 ? 24  ALA   B CB  1 
ATOM   159  N N   . ASN   A 1 19  ? -36.459 -6.783  -32.371 1.00 12.26 ? 25  ASN   B N   1 
ATOM   160  C CA  . ASN   A 1 19  ? -37.927 -6.584  -32.391 1.00 11.52 ? 25  ASN   B CA  1 
ATOM   161  C C   . ASN   A 1 19  ? -38.194 -5.148  -32.853 1.00 11.75 ? 25  ASN   B C   1 
ATOM   162  O O   . ASN   A 1 19  ? -37.496 -4.187  -32.512 1.00 11.16 ? 25  ASN   B O   1 
ATOM   163  C CB  . ASN   A 1 19  ? -38.455 -6.897  -31.002 1.00 12.01 ? 25  ASN   B CB  1 
ATOM   164  C CG  . ASN   A 1 19  ? -39.931 -6.653  -30.924 1.00 14.73 ? 25  ASN   B CG  1 
ATOM   165  O OD1 . ASN   A 1 19  ? -40.377 -5.536  -30.713 1.00 13.75 ? 25  ASN   B OD1 1 
ATOM   166  N ND2 . ASN   A 1 19  ? -40.667 -7.727  -31.019 1.00 19.16 ? 25  ASN   B ND2 1 
ATOM   167  N N   . SER   A 1 20  ? -39.277 -4.979  -33.598 1.00 11.61 ? 26  SER   B N   1 
ATOM   168  C CA  . SER   A 1 20  ? -39.624 -3.704  -34.251 1.00 11.75 ? 26  SER   B CA  1 
ATOM   169  C C   . SER   A 1 20  ? -40.012 -2.609  -33.272 1.00 12.33 ? 26  SER   B C   1 
ATOM   170  O O   . SER   A 1 20  ? -40.101 -1.460  -33.715 1.00 13.29 ? 26  SER   B O   1 
ATOM   171  C CB  . SER   A 1 20  ? -40.735 -3.896  -35.264 1.00 14.00 ? 26  SER   B CB  1 
ATOM   172  O OG  . SER   A 1 20  ? -41.863 -4.386  -34.579 1.00 17.57 ? 26  SER   B OG  1 
ATOM   173  N N   . TRP   A 1 21  ? -40.202 -2.876  -31.992 1.00 11.13 ? 27  TRP   B N   1 
ATOM   174  C CA  . TRP   A 1 21  ? -40.503 -1.832  -30.988 1.00 11.50 ? 27  TRP   B CA  1 
ATOM   175  C C   . TRP   A 1 21  ? -39.251 -1.359  -30.265 1.00 12.56 ? 27  TRP   B C   1 
ATOM   176  O O   . TRP   A 1 21  ? -39.370 -0.437  -29.471 1.00 12.69 ? 27  TRP   B O   1 
ATOM   177  C CB  . TRP   A 1 21  ? -41.508 -2.364  -29.991 1.00 12.72 ? 27  TRP   B CB  1 
ATOM   178  C CG  . TRP   A 1 21  ? -42.904 -2.457  -30.532 1.00 13.96 ? 27  TRP   B CG  1 
ATOM   179  C CD1 . TRP   A 1 21  ? -43.301 -2.990  -31.723 1.00 14.33 ? 27  TRP   B CD1 1 
ATOM   180  C CD2 . TRP   A 1 21  ? -44.079 -1.991  -29.869 1.00 15.71 ? 27  TRP   B CD2 1 
ATOM   181  N NE1 . TRP   A 1 21  ? -44.674 -2.890  -31.839 1.00 17.28 ? 27  TRP   B NE1 1 
ATOM   182  C CE2 . TRP   A 1 21  ? -45.166 -2.344  -30.694 1.00 15.36 ? 27  TRP   B CE2 1 
ATOM   183  C CE3 . TRP   A 1 21  ? -44.313 -1.374  -28.639 1.00 17.62 ? 27  TRP   B CE3 1 
ATOM   184  C CZ2 . TRP   A 1 21  ? -46.481 -2.014  -30.333 1.00 18.13 ? 27  TRP   B CZ2 1 
ATOM   185  C CZ3 . TRP   A 1 21  ? -45.617 -1.061  -28.277 1.00 19.86 ? 27  TRP   B CZ3 1 
ATOM   186  C CH2 . TRP   A 1 21  ? -46.676 -1.428  -29.102 1.00 21.16 ? 27  TRP   B CH2 1 
ATOM   187  N N   . LEU   A 1 22  ? -38.071 -1.950  -30.538 1.00 11.93 ? 28  LEU   B N   1 
ATOM   188  C CA  . LEU   A 1 22  ? -36.843 -1.549  -29.810 1.00 12.07 ? 28  LEU   B CA  1 
ATOM   189  C C   . LEU   A 1 22  ? -36.247 -0.293  -30.451 1.00 12.42 ? 28  LEU   B C   1 
ATOM   190  O O   . LEU   A 1 22  ? -36.227 -0.153  -31.669 1.00 12.93 ? 28  LEU   B O   1 
ATOM   191  C CB  . LEU   A 1 22  ? -35.821 -2.692  -29.827 1.00 11.04 ? 28  LEU   B CB  1 
ATOM   192  C CG  . LEU   A 1 22  ? -36.275 -3.959  -29.113 1.00 12.48 ? 28  LEU   B CG  1 
ATOM   193  C CD1 . LEU   A 1 22  ? -35.172 -4.990  -29.052 1.00 11.86 ? 28  LEU   B CD1 1 
ATOM   194  C CD2 . LEU   A 1 22  ? -36.746 -3.651  -27.724 1.00 13.05 ? 28  LEU   B CD2 1 
ATOM   195  N N   . ILE   A 1 23  ? -35.593 0.468   -29.600 1.00 12.05 ? 29  ILE   B N   1 
ATOM   196  C CA  . ILE   A 1 23  ? -34.807 1.670   -29.990 1.00 13.16 ? 29  ILE   B CA  1 
ATOM   197  C C   . ILE   A 1 23  ? -33.373 1.440   -29.549 1.00 13.53 ? 29  ILE   B C   1 
ATOM   198  O O   . ILE   A 1 23  ? -33.120 1.345   -28.311 1.00 13.64 ? 29  ILE   B O   1 
ATOM   199  C CB  . ILE   A 1 23  ? -35.360 2.929   -29.369 1.00 13.67 ? 29  ILE   B CB  1 
ATOM   200  C CG1 . ILE   A 1 23  ? -36.852 3.171   -29.704 1.00 15.59 ? 29  ILE   B CG1 1 
ATOM   201  C CG2 . ILE   A 1 23  ? -34.507 4.127   -29.811 1.00 15.24 ? 29  ILE   B CG2 1 
ATOM   202  C CD1 . ILE   A 1 23  ? -37.464 4.291   -28.997 1.00 16.94 ? 29  ILE   B CD1 1 
ATOM   203  N N   . ILE   A 1 24  ? -32.521 1.305   -30.536 1.00 15.31 ? 30  ILE   B N   1 
ATOM   204  C CA  . ILE   A 1 24  ? -31.059 1.113   -30.333 1.00 15.41 ? 30  ILE   B CA  1 
ATOM   205  C C   . ILE   A 1 24  ? -30.393 2.463   -30.512 1.00 16.85 ? 30  ILE   B C   1 
ATOM   206  O O   . ILE   A 1 24  ? -30.642 3.148   -31.560 1.00 18.27 ? 30  ILE   B O   1 
ATOM   207  C CB  . ILE   A 1 24  ? -30.532 0.046   -31.280 1.00 16.63 ? 30  ILE   B CB  1 
ATOM   208  C CG1 . ILE   A 1 24  ? -31.075 -1.326  -30.900 1.00 18.98 ? 30  ILE   B CG1 1 
ATOM   209  C CG2 . ILE   A 1 24  ? -29.006 0.016   -31.280 1.00 15.88 ? 30  ILE   B CG2 1 
ATOM   210  C CD1 . ILE   A 1 24  ? -30.755 -2.331  -31.835 1.00 22.74 ? 30  ILE   B CD1 1 
ATOM   211  N N   . SER   A 1 25  ? -29.520 2.839   -29.601 1.00 16.36 ? 31  SER   B N   1 
ATOM   212  C CA  . SER   A 1 25  ? -28.808 4.129   -29.655 1.00 16.45 ? 31  SER   B CA  1 
ATOM   213  C C   . SER   A 1 25  ? -27.882 4.207   -30.884 1.00 15.16 ? 31  SER   B C   1 
ATOM   214  O O   . SER   A 1 25  ? -27.529 3.208   -31.475 1.00 16.03 ? 31  SER   B O   1 
ATOM   215  C CB  . SER   A 1 25  ? -28.066 4.323   -28.376 1.00 17.26 ? 31  SER   B CB  1 
ATOM   216  O OG  . SER   A 1 25  ? -27.080 3.301   -28.223 1.00 17.09 ? 31  SER   B OG  1 
ATOM   217  N N   . LYS   A 1 26  ? -27.510 5.439   -31.251 1.00 19.19 ? 32  LYS   B N   1 
ATOM   218  C CA  . LYS   A 1 26  ? -26.638 5.699   -32.418 1.00 19.69 ? 32  LYS   B CA  1 
ATOM   219  C C   . LYS   A 1 26  ? -25.330 4.910   -32.305 1.00 16.96 ? 32  LYS   B C   1 
ATOM   220  O O   . LYS   A 1 26  ? -24.911 4.370   -33.328 1.00 20.52 ? 32  LYS   B O   1 
ATOM   221  C CB  . LYS   A 1 26  ? -26.354 7.198   -32.512 1.00 23.60 ? 32  LYS   B CB  1 
ATOM   222  C CG  . LYS   A 1 26  ? -25.345 7.562   -33.570 1.00 27.51 ? 32  LYS   B CG  1 
ATOM   223  C CD  . LYS   A 1 26  ? -25.446 9.020   -33.902 1.00 28.41 ? 32  LYS   B CD  1 
ATOM   224  C CE  . LYS   A 1 26  ? -25.338 9.875   -32.670 1.00 32.03 ? 32  LYS   B CE  1 
ATOM   225  N NZ  . LYS   A 1 26  ? -25.397 11.291  -33.076 1.00 36.23 ? 32  LYS   B NZ  1 
ATOM   226  N N   . ASP   A 1 27  ? -24.769 4.819   -31.100 1.00 17.81 ? 33  ASP   B N   1 
ATOM   227  C CA  . ASP   A 1 27  ? -23.492 4.084   -30.894 1.00 17.72 ? 33  ASP   B CA  1 
ATOM   228  C C   . ASP   A 1 27  ? -23.697 2.564   -30.835 1.00 15.85 ? 33  ASP   B C   1 
ATOM   229  O O   . ASP   A 1 27  ? -22.696 1.845   -30.721 1.00 16.36 ? 33  ASP   B O   1 
ATOM   230  C CB  . ASP   A 1 27  ? -22.737 4.574   -29.658 1.00 18.60 ? 33  ASP   B CB  1 
ATOM   231  C CG  . ASP   A 1 27  ? -23.421 4.343   -28.325 1.00 19.82 ? 33  ASP   B CG  1 
ATOM   232  O OD1 . ASP   A 1 27  ? -24.515 3.665   -28.299 1.00 19.32 ? 33  ASP   B OD1 1 
ATOM   233  O OD2 . ASP   A 1 27  ? -22.825 4.774   -27.310 1.00 22.98 ? 33  ASP   B OD2 1 
ATOM   234  N N   . ARG   A 1 28  ? -24.924 2.094   -30.925 1.00 14.94 ? 34  ARG   B N   1 
ATOM   235  C CA  . ARG   A 1 28  ? -25.266 0.660   -30.935 1.00 15.26 ? 34  ARG   B CA  1 
ATOM   236  C C   . ARG   A 1 28  ? -24.822 0.011   -29.610 1.00 12.36 ? 34  ARG   B C   1 
ATOM   237  O O   . ARG   A 1 28  ? -24.665 -1.221  -29.577 1.00 13.36 ? 34  ARG   B O   1 
ATOM   238  C CB  . ARG   A 1 28  ? -24.732 -0.028  -32.197 1.00 18.70 ? 34  ARG   B CB  1 
ATOM   239  C CG  . ARG   A 1 28  ? -25.404 0.541   -33.447 1.00 22.71 ? 34  ARG   B CG  1 
ATOM   240  C CD  . ARG   A 1 28  ? -24.922 0.044   -34.785 1.00 30.41 ? 34  ARG   B CD  1 
ATOM   241  N NE  . ARG   A 1 28  ? -23.489 -0.014  -34.903 1.00 39.23 ? 34  ARG   B NE  1 
ATOM   242  C CZ  . ARG   A 1 28  ? -22.742 -1.114  -34.764 1.00 53.21 ? 34  ARG   B CZ  1 
ATOM   243  N NH1 . ARG   A 1 28  ? -23.292 -2.307  -34.519 1.00 54.47 ? 34  ARG   B NH1 1 
ATOM   244  N NH2 . ARG   A 1 28  ? -21.426 -1.003  -34.898 1.00 55.92 ? 34  ARG   B NH2 1 
ATOM   245  N N   . ARG   A 1 29  ? -24.785 0.753   -28.533 1.00 11.69 ? 35  ARG   B N   1 
ATOM   246  C CA  . ARG   A 1 29  ? -24.391 0.243   -27.194 1.00 13.41 ? 35  ARG   B CA  1 
ATOM   247  C C   . ARG   A 1 29  ? -25.551 0.218   -26.206 1.00 13.29 ? 35  ARG   B C   1 
ATOM   248  O O   . ARG   A 1 29  ? -25.370 -0.347  -25.093 1.00 14.06 ? 35  ARG   B O   1 
ATOM   249  C CB  . ARG   A 1 29  ? -23.202 1.030   -26.626 1.00 14.30 ? 35  ARG   B CB  1 
ATOM   250  C CG  . ARG   A 1 29  ? -21.970 0.904   -27.506 1.00 16.92 ? 35  ARG   B CG  1 
ATOM   251  C CD  . ARG   A 1 29  ? -21.140 -0.311  -27.224 1.00 18.66 ? 35  ARG   B CD  1 
ATOM   252  N NE  . ARG   A 1 29  ? -20.367 -0.107  -25.992 1.00 19.57 ? 35  ARG   B NE  1 
ATOM   253  C CZ  . ARG   A 1 29  ? -19.634 -1.053  -25.418 1.00 20.17 ? 35  ARG   B CZ  1 
ATOM   254  N NH1 . ARG   A 1 29  ? -19.562 -2.234  -25.989 1.00 20.52 ? 35  ARG   B NH1 1 
ATOM   255  N NH2 . ARG   A 1 29  ? -18.952 -0.793  -24.320 1.00 21.03 ? 35  ARG   B NH2 1 
ATOM   256  N N   . GLN   A 1 30  ? -26.726 0.780   -26.514 1.00 12.65 ? 36  GLN   B N   1 
ATOM   257  C CA  . GLN   A 1 30  ? -27.879 0.802   -25.596 1.00 13.36 ? 36  GLN   B CA  1 
ATOM   258  C C   . GLN   A 1 30  ? -29.129 0.422   -26.364 1.00 12.02 ? 36  GLN   B C   1 
ATOM   259  O O   . GLN   A 1 30  ? -29.246 0.662   -27.599 1.00 13.20 ? 36  GLN   B O   1 
ATOM   260  C CB  . GLN   A 1 30  ? -28.129 2.195   -25.001 1.00 15.56 ? 36  GLN   B CB  1 
ATOM   261  C CG  . GLN   A 1 30  ? -26.885 2.817   -24.429 1.00 18.67 ? 36  GLN   B CG  1 
ATOM   262  C CD  . GLN   A 1 30  ? -27.236 4.060   -23.645 1.00 21.76 ? 36  GLN   B CD  1 
ATOM   263  O OE1 . GLN   A 1 30  ? -28.386 4.301   -23.275 1.00 23.85 ? 36  GLN   B OE1 1 
ATOM   264  N NE2 . GLN   A 1 30  ? -26.228 4.874   -23.430 1.00 27.01 ? 36  GLN   B NE2 1 
ATOM   265  N N   . VAL   A 1 31  ? -30.046 -0.222  -25.660 1.00 11.41 ? 37  VAL   B N   1 
ATOM   266  C CA  . VAL   A 1 31  ? -31.341 -0.613  -26.269 1.00 12.15 ? 37  VAL   B CA  1 
ATOM   267  C C   . VAL   A 1 31  ? -32.424 -0.412  -25.215 1.00 12.27 ? 37  VAL   B C   1 
ATOM   268  O O   . VAL   A 1 31  ? -32.244 -0.787  -24.060 1.00 11.74 ? 37  VAL   B O   1 
ATOM   269  C CB  . VAL   A 1 31  ? -31.307 -2.024  -26.867 1.00 11.23 ? 37  VAL   B CB  1 
ATOM   270  C CG1 . VAL   A 1 31  ? -30.908 -3.098  -25.848 1.00 10.58 ? 37  VAL   B CG1 1 
ATOM   271  C CG2 . VAL   A 1 31  ? -32.634 -2.395  -27.541 1.00 12.22 ? 37  VAL   B CG2 1 
ATOM   272  N N   . ARG   A 1 32  ? -33.576 0.063   -25.631 1.00 12.36 ? 38  ARG   B N   1 
ATOM   273  C CA  . ARG   A 1 32  ? -34.762 0.139   -24.745 1.00 12.85 ? 38  ARG   B CA  1 
ATOM   274  C C   . ARG   A 1 32  ? -36.030 -0.144  -25.548 1.00 12.77 ? 38  ARG   B C   1 
ATOM   275  O O   . ARG   A 1 32  ? -36.042 -0.044  -26.801 1.00 11.79 ? 38  ARG   B O   1 
ATOM   276  C CB  . ARG   A 1 32  ? -34.868 1.511   -24.077 1.00 14.32 ? 38  ARG   B CB  1 
ATOM   277  C CG  . ARG   A 1 32  ? -35.164 2.639   -25.041 1.00 16.91 ? 38  ARG   B CG  1 
ATOM   278  C CD  . ARG   A 1 32  ? -35.077 3.956   -24.281 1.00 20.22 ? 38  ARG   B CD  1 
ATOM   279  N NE  . ARG   A 1 32  ? -35.372 5.060   -25.176 1.00 23.72 ? 38  ARG   B NE  1 
ATOM   280  C CZ  . ARG   A 1 32  ? -36.570 5.552   -25.444 1.00 21.99 ? 38  ARG   B CZ  1 
ATOM   281  N NH1 . ARG   A 1 32  ? -37.661 5.047   -24.903 1.00 25.84 ? 38  ARG   B NH1 1 
ATOM   282  N NH2 . ARG   A 1 32  ? -36.661 6.572   -26.304 1.00 28.35 ? 38  ARG   B NH2 1 
ATOM   283  N N   A MET   A 1 33  ? -37.080 -0.472  -24.805 0.25 12.44 ? 39  MET   B N   1 
ATOM   284  N N   B MET   A 1 33  ? -37.100 -0.527  -24.858 0.25 13.80 ? 39  MET   B N   1 
ATOM   285  C CA  A MET   A 1 33  ? -38.451 -0.676  -25.332 0.25 13.53 ? 39  MET   B CA  1 
ATOM   286  C CA  B MET   A 1 33  ? -38.396 -0.810  -25.537 0.25 15.64 ? 39  MET   B CA  1 
ATOM   287  C C   A MET   A 1 33  ? -39.025 0.691   -25.719 0.25 13.57 ? 39  MET   B C   1 
ATOM   288  C C   B MET   A 1 33  ? -39.165 0.501   -25.691 0.25 15.04 ? 39  MET   B C   1 
ATOM   289  O O   A MET   A 1 33  ? -38.991 1.625   -24.908 0.25 14.24 ? 39  MET   B O   1 
ATOM   290  O O   B MET   A 1 33  ? -39.500 1.114   -24.637 0.25 14.40 ? 39  MET   B O   1 
ATOM   291  C CB  A MET   A 1 33  ? -39.312 -1.359  -24.264 0.25 14.05 ? 39  MET   B CB  1 
ATOM   292  C CB  B MET   A 1 33  ? -39.272 -1.811  -24.779 0.25 18.39 ? 39  MET   B CB  1 
ATOM   293  C CG  A MET   A 1 33  ? -40.716 -1.726  -24.727 0.25 15.37 ? 39  MET   B CG  1 
ATOM   294  C CG  B MET   A 1 33  ? -40.630 -2.033  -25.478 0.25 22.05 ? 39  MET   B CG  1 
ATOM   295  S SD  A MET   A 1 33  ? -40.699 -2.758  -26.246 0.25 16.65 ? 39  MET   B SD  1 
ATOM   296  S SD  B MET   A 1 33  ? -41.313 -3.682  -25.178 0.25 26.12 ? 39  MET   B SD  1 
ATOM   297  C CE  A MET   A 1 33  ? -42.301 -3.561  -26.168 0.25 16.95 ? 39  MET   B CE  1 
ATOM   298  C CE  B MET   A 1 33  ? -42.406 -3.845  -26.588 0.25 25.31 ? 39  MET   B CE  1 
ATOM   299  N N   . GLY   A 1 34  ? -39.494 0.819   -26.950 1.00 14.38 ? 40  GLY   B N   1 
ATOM   300  C CA  . GLY   A 1 34  ? -40.278 2.005   -27.361 1.00 15.93 ? 40  GLY   B CA  1 
ATOM   301  C C   . GLY   A 1 34  ? -41.739 1.840   -26.964 1.00 16.70 ? 40  GLY   B C   1 
ATOM   302  O O   . GLY   A 1 34  ? -42.158 0.748   -26.523 1.00 17.68 ? 40  GLY   B O   1 
ATOM   303  N N   . ASP   A 1 35  ? -42.490 2.951   -27.035 1.00 21.81 ? 41  ASP   B N   1 
ATOM   304  C CA  . ASP   A 1 35  ? -43.928 2.910   -26.628 1.00 25.69 ? 41  ASP   B CA  1 
ATOM   305  C C   . ASP   A 1 35  ? -44.782 2.541   -27.866 1.00 25.00 ? 41  ASP   B C   1 
ATOM   306  O O   . ASP   A 1 35  ? -46.030 2.413   -27.721 1.00 24.97 ? 41  ASP   B O   1 
ATOM   307  C CB  . ASP   A 1 35  ? -44.343 4.180   -25.853 1.00 32.35 ? 41  ASP   B CB  1 
ATOM   308  C CG  . ASP   A 1 35  ? -43.988 4.182   -24.348 1.00 44.19 ? 41  ASP   B CG  1 
ATOM   309  O OD1 . ASP   A 1 35  ? -43.824 3.080   -23.758 1.00 49.49 ? 41  ASP   B OD1 1 
ATOM   310  O OD2 . ASP   A 1 35  ? -43.886 5.291   -23.737 1.00 42.98 ? 41  ASP   B OD2 1 
ATOM   311  N N   . THR   A 1 36  ? -44.162 2.238   -29.010 1.00 18.99 ? 42  THR   B N   1 
ATOM   312  C CA  . THR   A 1 36  ? -44.876 1.936   -30.299 1.00 17.59 ? 42  THR   B CA  1 
ATOM   313  C C   . THR   A 1 36  ? -43.940 1.218   -31.291 1.00 15.11 ? 42  THR   B C   1 
ATOM   314  O O   . THR   A 1 36  ? -42.654 1.179   -31.106 1.00 13.63 ? 42  THR   B O   1 
ATOM   315  C CB  . THR   A 1 36  ? -45.409 3.268   -30.831 1.00 19.34 ? 42  THR   B CB  1 
ATOM   316  O OG1 . THR   A 1 36  ? -46.295 2.995   -31.894 1.00 20.44 ? 42  THR   B OG1 1 
ATOM   317  C CG2 . THR   A 1 36  ? -44.276 4.131   -31.334 1.00 21.14 ? 42  THR   B CG2 1 
ATOM   318  N N   . HIS   A 1 37  ? -44.443 0.725   -32.423 1.00 15.02 ? 43  HIS   B N   1 
ATOM   319  C CA  . HIS   A 1 37  ? -43.614 0.273   -33.578 1.00 14.85 ? 43  HIS   B CA  1 
ATOM   320  C C   . HIS   A 1 37  ? -42.654 1.375   -33.995 1.00 15.50 ? 43  HIS   B C   1 
ATOM   321  O O   . HIS   A 1 37  ? -43.109 2.536   -34.227 1.00 16.34 ? 43  HIS   B O   1 
ATOM   322  C CB  . HIS   A 1 37  ? -44.555 -0.221  -34.682 1.00 14.97 ? 43  HIS   B CB  1 
ATOM   323  C CG  . HIS   A 1 37  ? -43.922 -0.872  -35.860 1.00 14.04 ? 43  HIS   B CG  1 
ATOM   324  N ND1 . HIS   A 1 37  ? -43.154 -0.207  -36.808 1.00 14.40 ? 43  HIS   B ND1 1 
ATOM   325  C CD2 . HIS   A 1 37  ? -44.016 -2.153  -36.275 1.00 13.88 ? 43  HIS   B CD2 1 
ATOM   326  C CE1 . HIS   A 1 37  ? -42.795 -1.055  -37.741 1.00 14.28 ? 43  HIS   B CE1 1 
ATOM   327  N NE2 . HIS   A 1 37  ? -43.319 -2.299  -37.425 1.00 14.14 ? 43  HIS   B NE2 1 
ATOM   328  N N   . GLN   A 1 38  ? -41.386 1.027   -34.260 1.00 14.10 ? 44  GLN   B N   1 
ATOM   329  C CA  . GLN   A 1 38  ? -40.348 2.028   -34.541 1.00 13.75 ? 44  GLN   B CA  1 
ATOM   330  C C   . GLN   A 1 38  ? -40.158 2.309   -36.038 1.00 15.47 ? 44  GLN   B C   1 
ATOM   331  O O   . GLN   A 1 38  ? -39.137 2.899   -36.418 1.00 16.20 ? 44  GLN   B O   1 
ATOM   332  C CB  . GLN   A 1 38  ? -39.040 1.645   -33.841 1.00 14.58 ? 44  GLN   B CB  1 
ATOM   333  C CG  . GLN   A 1 38  ? -39.164 1.712   -32.346 1.00 14.05 ? 44  GLN   B CG  1 
ATOM   334  C CD  . GLN   A 1 38  ? -39.638 3.044   -31.833 1.00 14.73 ? 44  GLN   B CD  1 
ATOM   335  O OE1 . GLN   A 1 38  ? -40.618 3.176   -31.081 1.00 18.17 ? 44  GLN   B OE1 1 
ATOM   336  N NE2 . GLN   A 1 38  ? -38.976 4.094   -32.270 1.00 13.79 ? 44  GLN   B NE2 1 
ATOM   337  N N   . ASN   A 1 39  ? -41.135 1.982   -36.864 1.00 13.71 ? 45  ASN   B N   1 
ATOM   338  C CA  . ASN   A 1 39  ? -41.188 2.436   -38.286 1.00 12.97 ? 45  ASN   B CA  1 
ATOM   339  C C   . ASN   A 1 39  ? -40.088 1.813   -39.129 1.00 14.80 ? 45  ASN   B C   1 
ATOM   340  O O   . ASN   A 1 39  ? -39.608 2.428   -40.081 1.00 17.30 ? 45  ASN   B O   1 
ATOM   341  C CB  . ASN   A 1 39  ? -41.257 3.977   -38.404 1.00 14.10 ? 45  ASN   B CB  1 
ATOM   342  C CG  . ASN   A 1 39  ? -41.875 4.395   -39.733 1.00 15.14 ? 45  ASN   B CG  1 
ATOM   343  O OD1 . ASN   A 1 39  ? -42.742 3.702   -40.251 1.00 13.41 ? 45  ASN   B OD1 1 
ATOM   344  N ND2 . ASN   A 1 39  ? -41.448 5.523   -40.299 1.00 14.28 ? 45  ASN   B ND2 1 
ATOM   345  N N   . VAL   A 1 40  ? -39.764 0.558   -38.837 1.00 16.47 ? 46  VAL   B N   1 
ATOM   346  C CA  . VAL   A 1 40  ? -38.795 -0.275  -39.604 1.00 16.99 ? 46  VAL   B CA  1 
ATOM   347  C C   . VAL   A 1 40  ? -39.562 -1.309  -40.442 1.00 15.86 ? 46  VAL   B C   1 
ATOM   348  O O   . VAL   A 1 40  ? -40.632 -1.750  -40.009 1.00 16.19 ? 46  VAL   B O   1 
ATOM   349  C CB  . VAL   A 1 40  ? -37.791 -0.956  -38.654 1.00 18.06 ? 46  VAL   B CB  1 
ATOM   350  C CG1 . VAL   A 1 40  ? -36.862 0.074   -38.023 1.00 20.69 ? 46  VAL   B CG1 1 
ATOM   351  C CG2 . VAL   A 1 40  ? -38.480 -1.807  -37.588 1.00 19.04 ? 46  VAL   B CG2 1 
ATOM   352  N N   . SER   A 1 41  ? -38.987 -1.780  -41.532 1.00 18.10 ? 47  SER   B N   1 
ATOM   353  C CA  . SER   A 1 41  ? -39.543 -2.926  -42.278 1.00 18.50 ? 47  SER   B CA  1 
ATOM   354  C C   . SER   A 1 41  ? -39.341 -4.236  -41.510 1.00 17.65 ? 47  SER   B C   1 
ATOM   355  O O   . SER   A 1 41  ? -38.363 -4.350  -40.738 1.00 16.71 ? 47  SER   B O   1 
ATOM   356  C CB  . SER   A 1 41  ? -38.964 -3.005  -43.678 1.00 21.00 ? 47  SER   B CB  1 
ATOM   357  O OG  . SER   A 1 41  ? -37.556 -3.155  -43.630 1.00 23.59 ? 47  SER   B OG  1 
ATOM   358  N N   . ASP   A 1 42  ? -40.207 -5.208  -41.751 1.00 17.37 ? 48  ASP   B N   1 
ATOM   359  C CA  . ASP   A 1 42  ? -40.070 -6.571  -41.203 1.00 17.05 ? 48  ASP   B CA  1 
ATOM   360  C C   . ASP   A 1 42  ? -39.001 -7.300  -42.009 1.00 18.45 ? 48  ASP   B C   1 
ATOM   361  O O   . ASP   A 1 42  ? -38.745 -6.971  -43.178 1.00 18.73 ? 48  ASP   B O   1 
ATOM   362  C CB  . ASP   A 1 42  ? -41.409 -7.312  -41.119 1.00 18.35 ? 48  ASP   B CB  1 
ATOM   363  C CG  . ASP   A 1 42  ? -41.452 -8.399  -40.039 1.00 22.58 ? 48  ASP   B CG  1 
ATOM   364  O OD1 . ASP   A 1 42  ? -40.450 -8.548  -39.294 1.00 17.78 ? 48  ASP   B OD1 1 
ATOM   365  O OD2 . ASP   A 1 42  ? -42.566 -9.012  -39.802 1.00 24.77 ? 48  ASP   B OD2 1 
ATOM   366  N N   . ASN   A 1 43  ? -38.366 -8.290  -41.381 1.00 17.37 ? 49  ASN   B N   1 
ATOM   367  C CA  . ASN   A 1 43  ? -37.371 -9.160  -42.043 1.00 17.70 ? 49  ASN   B CA  1 
ATOM   368  C C   . ASN   A 1 43  ? -37.316 -10.482 -41.275 1.00 17.76 ? 49  ASN   B C   1 
ATOM   369  O O   . ASN   A 1 43  ? -37.894 -10.590 -40.136 1.00 16.82 ? 49  ASN   B O   1 
ATOM   370  C CB  . ASN   A 1 43  ? -36.029 -8.472  -42.227 1.00 16.76 ? 49  ASN   B CB  1 
ATOM   371  C CG  . ASN   A 1 43  ? -35.287 -8.284  -40.920 1.00 16.63 ? 49  ASN   B CG  1 
ATOM   372  O OD1 . ASN   A 1 43  ? -35.147 -9.239  -40.165 1.00 18.63 ? 49  ASN   B OD1 1 
ATOM   373  N ND2 . ASN   A 1 43  ? -34.873 -7.092  -40.610 1.00 17.56 ? 49  ASN   B ND2 1 
ATOM   374  N N   . LYS   A 1 44  ? -36.678 -11.488 -41.853 1.00 18.03 ? 50  LYS   B N   1 
ATOM   375  C CA  . LYS   A 1 44  ? -36.694 -12.844 -41.264 1.00 18.98 ? 50  LYS   B CA  1 
ATOM   376  C C   . LYS   A 1 44  ? -35.786 -12.911 -40.016 1.00 16.59 ? 50  LYS   B C   1 
ATOM   377  O O   . LYS   A 1 44  ? -35.979 -13.876 -39.238 1.00 17.13 ? 50  LYS   B O   1 
ATOM   378  C CB  . LYS   A 1 44  ? -36.179 -13.850 -42.312 1.00 22.69 ? 50  LYS   B CB  1 
ATOM   379  C CG  . LYS   A 1 44  ? -34.722 -13.646 -42.672 1.00 26.46 ? 50  LYS   B CG  1 
ATOM   380  C CD  . LYS   A 1 44  ? -34.315 -14.067 -44.078 1.00 35.24 ? 50  LYS   B CD  1 
ATOM   381  C CE  . LYS   A 1 44  ? -32.870 -14.509 -44.117 1.00 40.17 ? 50  LYS   B CE  1 
ATOM   382  N NZ  . LYS   A 1 44  ? -32.761 -15.923 -43.680 1.00 45.95 ? 50  LYS   B NZ  1 
ATOM   383  N N   . GLU   A 1 45  ? -34.893 -11.938 -39.810 1.00 15.70 ? 51  GLU   B N   1 
ATOM   384  C CA  . GLU   A 1 45  ? -33.978 -11.947 -38.624 1.00 15.62 ? 51  GLU   B CA  1 
ATOM   385  C C   . GLU   A 1 45  ? -34.698 -11.432 -37.359 1.00 14.94 ? 51  GLU   B C   1 
ATOM   386  O O   . GLU   A 1 45  ? -34.250 -11.747 -36.230 1.00 15.67 ? 51  GLU   B O   1 
ATOM   387  C CB  . GLU   A 1 45  ? -32.747 -11.093 -38.894 1.00 18.31 ? 51  GLU   B CB  1 
ATOM   388  C CG  . GLU   A 1 45  ? -31.865 -11.568 -40.038 1.00 23.71 ? 51  GLU   B CG  1 
ATOM   389  C CD  . GLU   A 1 45  ? -30.695 -10.614 -40.228 1.00 33.38 ? 51  GLU   B CD  1 
ATOM   390  O OE1 . GLU   A 1 45  ? -30.662 -9.925  -41.276 1.00 47.56 ? 51  GLU   B OE1 1 
ATOM   391  O OE2 . GLU   A 1 45  ? -29.851 -10.500 -39.313 1.00 41.92 ? 51  GLU   B OE2 1 
ATOM   392  N N   . ARG   A 1 46  ? -35.727 -10.580 -37.484 1.00 13.48 ? 52  ARG   B N   1 
ATOM   393  C CA  . ARG   A 1 46  ? -36.264 -9.877  -36.290 1.00 13.75 ? 52  ARG   B CA  1 
ATOM   394  C C   . ARG   A 1 46  ? -36.975 -10.828 -35.345 1.00 12.95 ? 52  ARG   B C   1 
ATOM   395  O O   . ARG   A 1 46  ? -37.828 -11.651 -35.746 1.00 13.90 ? 52  ARG   B O   1 
ATOM   396  C CB  . ARG   A 1 46  ? -37.265 -8.776  -36.653 1.00 13.24 ? 52  ARG   B CB  1 
ATOM   397  C CG  . ARG   A 1 46  ? -36.700 -7.665  -37.496 1.00 14.60 ? 52  ARG   B CG  1 
ATOM   398  C CD  . ARG   A 1 46  ? -37.631 -6.435  -37.444 1.00 13.99 ? 52  ARG   B CD  1 
ATOM   399  N NE  . ARG   A 1 46  ? -37.121 -5.390  -38.303 1.00 14.70 ? 52  ARG   B NE  1 
ATOM   400  C CZ  . ARG   A 1 46  ? -36.023 -4.676  -38.084 1.00 15.52 ? 52  ARG   B CZ  1 
ATOM   401  N NH1 . ARG   A 1 46  ? -35.407 -4.698  -36.900 1.00 13.59 ? 52  ARG   B NH1 1 
ATOM   402  N NH2 . ARG   A 1 46  ? -35.565 -3.847  -39.014 1.00 17.53 ? 52  ARG   B NH2 1 
ATOM   403  N N   . PHE   A 1 47  ? -36.688 -10.753 -34.051 1.00 11.71 ? 53  PHE   B N   1 
ATOM   404  C CA  . PHE   A 1 47  ? -37.491 -11.467 -33.048 1.00 11.36 ? 53  PHE   B CA  1 
ATOM   405  C C   . PHE   A 1 47  ? -38.921 -10.879 -33.040 1.00 13.27 ? 53  PHE   B C   1 
ATOM   406  O O   . PHE   A 1 47  ? -39.072 -9.664  -32.806 1.00 13.55 ? 53  PHE   B O   1 
ATOM   407  C CB  . PHE   A 1 47  ? -36.881 -11.371 -31.656 1.00 11.51 ? 53  PHE   B CB  1 
ATOM   408  C CG  . PHE   A 1 47  ? -35.637 -12.203 -31.496 1.00 10.94 ? 53  PHE   B CG  1 
ATOM   409  C CD1 . PHE   A 1 47  ? -35.744 -13.567 -31.274 1.00 10.93 ? 53  PHE   B CD1 1 
ATOM   410  C CD2 . PHE   A 1 47  ? -34.379 -11.643 -31.564 1.00 12.14 ? 53  PHE   B CD2 1 
ATOM   411  C CE1 . PHE   A 1 47  ? -34.614 -14.369 -31.132 1.00 12.33 ? 53  PHE   B CE1 1 
ATOM   412  C CE2 . PHE   A 1 47  ? -33.251 -12.448 -31.416 1.00 11.88 ? 53  PHE   B CE2 1 
ATOM   413  C CZ  . PHE   A 1 47  ? -33.376 -13.821 -31.228 1.00 10.90 ? 53  PHE   B CZ  1 
ATOM   414  N N   . SER   A 1 48  ? -39.925 -11.686 -33.334 1.00 14.01 ? 54  SER   B N   1 
ATOM   415  C CA  . SER   A 1 48  ? -41.324 -11.191 -33.480 1.00 15.24 ? 54  SER   B CA  1 
ATOM   416  C C   . SER   A 1 48  ? -42.066 -11.111 -32.150 1.00 15.06 ? 54  SER   B C   1 
ATOM   417  O O   . SER   A 1 48  ? -42.830 -10.131 -31.970 1.00 17.78 ? 54  SER   B O   1 
ATOM   418  C CB  . SER   A 1 48  ? -42.069 -12.084 -34.487 1.00 15.28 ? 54  SER   B CB  1 
ATOM   419  O OG  . SER   A 1 48  ? -42.201 -13.397 -34.020 1.00 15.36 ? 54  SER   B OG  1 
ATOM   420  N N   . ASN   A 1 49  ? -41.927 -12.053 -31.247 1.00 14.03 ? 55  ASN   B N   1 
ATOM   421  C CA  . ASN   A 1 49  ? -42.855 -12.198 -30.095 1.00 14.69 ? 55  ASN   B CA  1 
ATOM   422  C C   . ASN   A 1 49  ? -42.390 -11.419 -28.861 1.00 13.70 ? 55  ASN   B C   1 
ATOM   423  O O   . ASN   A 1 49  ? -43.192 -11.226 -27.921 1.00 16.02 ? 55  ASN   B O   1 
ATOM   424  C CB  . ASN   A 1 49  ? -43.106 -13.653 -29.695 1.00 15.28 ? 55  ASN   B CB  1 
ATOM   425  C CG  . ASN   A 1 49  ? -43.987 -14.415 -30.681 1.00 19.31 ? 55  ASN   B CG  1 
ATOM   426  O OD1 . ASN   A 1 49  ? -43.782 -14.308 -31.884 1.00 19.69 ? 55  ASN   B OD1 1 
ATOM   427  N ND2 . ASN   A 1 49  ? -44.914 -15.232 -30.172 1.00 20.76 ? 55  ASN   B ND2 1 
ATOM   428  N N   . TYR   A 1 50  ? -41.085 -11.166 -28.763 1.00 12.41 ? 56  TYR   B N   1 
ATOM   429  C CA  . TYR   A 1 50  ? -40.483 -10.677 -27.511 1.00 11.98 ? 56  TYR   B CA  1 
ATOM   430  C C   . TYR   A 1 50  ? -39.525 -9.534  -27.817 1.00 11.33 ? 56  TYR   B C   1 
ATOM   431  O O   . TYR   A 1 50  ? -38.978 -9.459  -28.916 1.00 12.27 ? 56  TYR   B O   1 
ATOM   432  C CB  . TYR   A 1 50  ? -39.677 -11.808 -26.880 1.00 12.32 ? 56  TYR   B CB  1 
ATOM   433  C CG  . TYR   A 1 50  ? -40.375 -13.137 -26.784 1.00 13.36 ? 56  TYR   B CG  1 
ATOM   434  C CD1 . TYR   A 1 50  ? -41.416 -13.336 -25.882 1.00 15.71 ? 56  TYR   B CD1 1 
ATOM   435  C CD2 . TYR   A 1 50  ? -40.038 -14.223 -27.573 1.00 13.63 ? 56  TYR   B CD2 1 
ATOM   436  C CE1 . TYR   A 1 50  ? -42.099 -14.549 -25.792 1.00 17.46 ? 56  TYR   B CE1 1 
ATOM   437  C CE2 . TYR   A 1 50  ? -40.734 -15.422 -27.522 1.00 15.60 ? 56  TYR   B CE2 1 
ATOM   438  C CZ  . TYR   A 1 50  ? -41.729 -15.609 -26.581 1.00 16.01 ? 56  TYR   B CZ  1 
ATOM   439  O OH  . TYR   A 1 50  ? -42.389 -16.821 -26.526 1.00 16.38 ? 56  TYR   B OH  1 
ATOM   440  N N   . PRO   A 1 51  ? -39.208 -8.675  -26.821 1.00 10.92 ? 57  PRO   B N   1 
ATOM   441  C CA  . PRO   A 1 51  ? -38.361 -7.506  -27.048 1.00 10.81 ? 57  PRO   B CA  1 
ATOM   442  C C   . PRO   A 1 51  ? -36.848 -7.811  -27.034 1.00 10.67 ? 57  PRO   B C   1 
ATOM   443  O O   . PRO   A 1 51  ? -36.095 -7.290  -26.236 1.00 11.09 ? 57  PRO   B O   1 
ATOM   444  C CB  . PRO   A 1 51  ? -38.753 -6.547  -25.887 1.00 12.91 ? 57  PRO   B CB  1 
ATOM   445  C CG  . PRO   A 1 51  ? -39.981 -7.164  -25.259 1.00 13.39 ? 57  PRO   B CG  1 
ATOM   446  C CD  . PRO   A 1 51  ? -39.848 -8.630  -25.513 1.00 11.65 ? 57  PRO   B CD  1 
ATOM   447  N N   . MET   A 1 52  ? -36.465 -8.698  -27.975 1.00 10.34 ? 58  MET   B N   1 
ATOM   448  C CA  . MET   A 1 52  ? -35.101 -9.277  -28.072 1.00 9.54  ? 58  MET   B CA  1 
ATOM   449  C C   . MET   A 1 52  ? -34.300 -8.673  -29.205 1.00 10.20 ? 58  MET   B C   1 
ATOM   450  O O   . MET   A 1 52  ? -34.824 -8.178  -30.237 1.00 10.64 ? 58  MET   B O   1 
ATOM   451  C CB  . MET   A 1 52  ? -35.209 -10.793 -28.246 1.00 10.51 ? 58  MET   B CB  1 
ATOM   452  C CG  . MET   A 1 52  ? -35.802 -11.469 -27.057 1.00 9.69  ? 58  MET   B CG  1 
ATOM   453  S SD  . MET   A 1 52  ? -36.254 -13.194 -27.458 1.00 12.04 ? 58  MET   B SD  1 
ATOM   454  C CE  . MET   A 1 52  ? -36.871 -13.820 -25.906 1.00 12.27 ? 58  MET   B CE  1 
ATOM   455  N N   . VAL   A 1 53  ? -32.974 -8.743  -29.043 1.00 9.74  ? 59  VAL   B N   1 
ATOM   456  C CA  . VAL   A 1 53  ? -32.001 -8.270  -30.061 1.00 9.99  ? 59  VAL   B CA  1 
ATOM   457  C C   . VAL   A 1 53  ? -30.694 -9.053  -29.852 1.00 11.06 ? 59  VAL   B C   1 
ATOM   458  O O   . VAL   A 1 53  ? -30.419 -9.454  -28.698 1.00 10.27 ? 59  VAL   B O   1 
ATOM   459  C CB  . VAL   A 1 53  ? -31.807 -6.736  -30.003 1.00 10.34 ? 59  VAL   B CB  1 
ATOM   460  C CG1 . VAL   A 1 53  ? -31.268 -6.256  -28.662 1.00 11.14 ? 59  VAL   B CG1 1 
ATOM   461  C CG2 . VAL   A 1 53  ? -30.928 -6.221  -31.140 1.00 10.72 ? 59  VAL   B CG2 1 
ATOM   462  N N   . LEU   A 1 54  ? -29.928 -9.223  -30.912 1.00 10.43 ? 60  LEU   B N   1 
ATOM   463  C CA  . LEU   A 1 54  ? -28.594 -9.883  -30.851 1.00 10.53 ? 60  LEU   B CA  1 
ATOM   464  C C   . LEU   A 1 54  ? -27.474 -8.867  -30.979 1.00 11.28 ? 60  LEU   B C   1 
ATOM   465  O O   . LEU   A 1 54  ? -27.608 -7.769  -31.647 1.00 11.53 ? 60  LEU   B O   1 
ATOM   466  C CB  . LEU   A 1 54  ? -28.421 -10.948 -31.933 1.00 10.52 ? 60  LEU   B CB  1 
ATOM   467  C CG  . LEU   A 1 54  ? -29.492 -12.003 -31.980 1.00 11.66 ? 60  LEU   B CG  1 
ATOM   468  C CD1 . LEU   A 1 54  ? -29.210 -13.103 -33.004 1.00 13.32 ? 60  LEU   B CD1 1 
ATOM   469  C CD2 . LEU   A 1 54  ? -29.723 -12.618 -30.604 1.00 11.83 ? 60  LEU   B CD2 1 
ATOM   470  N N   . GLY   A 1 55  ? -26.322 -9.186  -30.386 1.00 10.57 ? 61  GLY   B N   1 
ATOM   471  C CA  . GLY   A 1 55  ? -25.066 -8.498  -30.739 1.00 11.09 ? 61  GLY   B CA  1 
ATOM   472  C C   . GLY   A 1 55  ? -24.671 -8.812  -32.178 1.00 11.26 ? 61  GLY   B C   1 
ATOM   473  O O   . GLY   A 1 55  ? -24.984 -9.899  -32.674 1.00 12.02 ? 61  GLY   B O   1 
ATOM   474  N N   . ALA   A 1 56  ? -23.889 -7.937  -32.774 1.00 12.80 ? 62  ALA   B N   1 
ATOM   475  C CA  . ALA   A 1 56  ? -23.372 -8.110  -34.146 1.00 14.20 ? 62  ALA   B CA  1 
ATOM   476  C C   . ALA   A 1 56  ? -22.253 -9.145  -34.165 1.00 14.40 ? 62  ALA   B C   1 
ATOM   477  O O   . ALA   A 1 56  ? -22.076 -9.824  -35.193 1.00 18.21 ? 62  ALA   B O   1 
ATOM   478  C CB  . ALA   A 1 56  ? -22.917 -6.776  -34.631 1.00 15.72 ? 62  ALA   B CB  1 
ATOM   479  N N   . GLN   A 1 57  ? -21.518 -9.244  -33.078 1.00 14.19 ? 63  GLN   B N   1 
ATOM   480  C CA  . GLN   A 1 57  ? -20.316 -10.107 -33.084 1.00 14.68 ? 63  GLN   B CA  1 
ATOM   481  C C   . GLN   A 1 57  ? -20.737 -11.581 -33.092 1.00 15.93 ? 63  GLN   B C   1 
ATOM   482  O O   . GLN   A 1 57  ? -21.746 -11.973 -32.445 1.00 16.35 ? 63  GLN   B O   1 
ATOM   483  C CB  . GLN   A 1 57  ? -19.457 -9.772  -31.858 1.00 16.49 ? 63  GLN   B CB  1 
ATOM   484  C CG  . GLN   A 1 57  ? -18.785 -8.411  -31.877 1.00 17.84 ? 63  GLN   B CG  1 
ATOM   485  C CD  . GLN   A 1 57  ? -19.743 -7.242  -31.776 1.00 17.82 ? 63  GLN   B CD  1 
ATOM   486  O OE1 . GLN   A 1 57  ? -20.709 -7.270  -31.017 1.00 16.15 ? 63  GLN   B OE1 1 
ATOM   487  N NE2 . GLN   A 1 57  ? -19.489 -6.174  -32.501 1.00 19.78 ? 63  GLN   B NE2 1 
ATOM   488  N N   . ARG   A 1 58  ? -19.982 -12.425 -33.811 1.00 16.08 ? 64  ARG   B N   1 
ATOM   489  C CA  . ARG   A 1 58  ? -20.146 -13.887 -33.820 1.00 15.39 ? 64  ARG   B CA  1 
ATOM   490  C C   . ARG   A 1 58  ? -18.890 -14.548 -33.277 1.00 15.15 ? 64  ARG   B C   1 
ATOM   491  O O   . ARG   A 1 58  ? -17.790 -14.102 -33.639 1.00 17.67 ? 64  ARG   B O   1 
ATOM   492  C CB  . ARG   A 1 58  ? -20.304 -14.416 -35.254 1.00 19.76 ? 64  ARG   B CB  1 
ATOM   493  C CG  . ARG   A 1 58  ? -21.665 -14.223 -35.916 1.00 27.06 ? 64  ARG   B CG  1 
ATOM   494  C CD  . ARG   A 1 58  ? -22.259 -12.866 -35.674 1.00 28.65 ? 64  ARG   B CD  1 
ATOM   495  N NE  . ARG   A 1 58  ? -23.076 -12.096 -36.620 1.00 32.30 ? 64  ARG   B NE  1 
ATOM   496  C CZ  . ARG   A 1 58  ? -23.749 -12.532 -37.676 1.00 31.05 ? 64  ARG   B CZ  1 
ATOM   497  N NH1 . ARG   A 1 58  ? -24.431 -11.653 -38.396 1.00 34.58 ? 64  ARG   B NH1 1 
ATOM   498  N NH2 . ARG   A 1 58  ? -23.727 -13.797 -38.046 1.00 31.97 ? 64  ARG   B NH2 1 
ATOM   499  N N   . PHE   A 1 59  ? -19.034 -15.479 -32.364 1.00 14.64 ? 65  PHE   B N   1 
ATOM   500  C CA  . PHE   A 1 59  ? -17.874 -16.141 -31.705 1.00 14.70 ? 65  PHE   B CA  1 
ATOM   501  C C   . PHE   A 1 59  ? -17.909 -17.639 -32.003 1.00 13.26 ? 65  PHE   B C   1 
ATOM   502  O O   . PHE   A 1 59  ? -18.944 -18.290 -31.793 1.00 12.72 ? 65  PHE   B O   1 
ATOM   503  C CB  . PHE   A 1 59  ? -17.927 -15.881 -30.180 1.00 16.33 ? 65  PHE   B CB  1 
ATOM   504  C CG  . PHE   A 1 59  ? -17.918 -14.406 -29.802 1.00 17.40 ? 65  PHE   B CG  1 
ATOM   505  C CD1 . PHE   A 1 59  ? -16.898 -13.577 -30.265 1.00 20.35 ? 65  PHE   B CD1 1 
ATOM   506  C CD2 . PHE   A 1 59  ? -18.909 -13.835 -29.048 1.00 25.42 ? 65  PHE   B CD2 1 
ATOM   507  C CE1 . PHE   A 1 59  ? -16.854 -12.218 -29.970 1.00 22.93 ? 65  PHE   B CE1 1 
ATOM   508  C CE2 . PHE   A 1 59  ? -18.840 -12.478 -28.732 1.00 18.79 ? 65  PHE   B CE2 1 
ATOM   509  C CZ  . PHE   A 1 59  ? -17.866 -11.678 -29.242 1.00 21.00 ? 65  PHE   B CZ  1 
ATOM   510  N N   A SER   A 1 60  ? -16.793 -18.208 -32.477 0.25 13.51 ? 66  SER   B N   1 
ATOM   511  N N   B SER   A 1 60  ? -16.794 -18.206 -32.481 0.25 13.78 ? 66  SER   B N   1 
ATOM   512  C CA  A SER   A 1 60  ? -16.685 -19.659 -32.791 0.25 13.97 ? 66  SER   B CA  1 
ATOM   513  C CA  B SER   A 1 60  ? -16.660 -19.658 -32.781 0.25 14.46 ? 66  SER   B CA  1 
ATOM   514  C C   A SER   A 1 60  ? -15.455 -20.278 -32.106 0.25 13.80 ? 66  SER   B C   1 
ATOM   515  C C   B SER   A 1 60  ? -15.378 -20.218 -32.168 0.25 14.54 ? 66  SER   B C   1 
ATOM   516  O O   A SER   A 1 60  ? -15.274 -21.512 -32.217 0.25 13.68 ? 66  SER   B O   1 
ATOM   517  O O   B SER   A 1 60  ? -14.962 -21.319 -32.575 0.25 14.06 ? 66  SER   B O   1 
ATOM   518  C CB  A SER   A 1 60  ? -16.714 -19.889 -34.293 0.25 14.20 ? 66  SER   B CB  1 
ATOM   519  C CB  B SER   A 1 60  ? -16.650 -19.904 -34.253 0.25 14.60 ? 66  SER   B CB  1 
ATOM   520  O OG  A SER   A 1 60  ? -18.064 -19.795 -34.783 0.25 14.69 ? 66  SER   B OG  1 
ATOM   521  O OG  B SER   A 1 60  ? -15.589 -19.190 -34.833 0.25 15.30 ? 66  SER   B OG  1 
ATOM   522  N N   A SER   A 1 61  ? -14.699 -19.477 -31.344 0.25 13.44 ? 67  SER   B N   1 
ATOM   523  N N   B SER   A 1 61  ? -14.771 -19.490 -31.233 0.25 14.91 ? 67  SER   B N   1 
ATOM   524  C CA  A SER   A 1 61  ? -13.498 -19.922 -30.592 0.25 14.35 ? 67  SER   B CA  1 
ATOM   525  C CA  B SER   A 1 61  ? -13.500 -19.889 -30.594 0.25 16.43 ? 67  SER   B CA  1 
ATOM   526  C C   A SER   A 1 61  ? -13.210 -18.948 -29.451 0.25 15.13 ? 67  SER   B C   1 
ATOM   527  C C   B SER   A 1 61  ? -13.121 -18.885 -29.511 0.25 16.26 ? 67  SER   B C   1 
ATOM   528  O O   A SER   A 1 61  ? -13.815 -17.878 -29.441 0.25 15.40 ? 67  SER   B O   1 
ATOM   529  O O   B SER   A 1 61  ? -13.533 -17.714 -29.629 0.25 15.49 ? 67  SER   B O   1 
ATOM   530  C CB  A SER   A 1 61  ? -12.302 -20.013 -31.518 0.25 14.19 ? 67  SER   B CB  1 
ATOM   531  C CB  B SER   A 1 61  ? -12.414 -19.977 -31.638 0.25 17.64 ? 67  SER   B CB  1 
ATOM   532  O OG  A SER   A 1 61  ? -11.921 -18.725 -31.969 0.25 14.03 ? 67  SER   B OG  1 
ATOM   533  O OG  B SER   A 1 61  ? -11.194 -20.360 -31.038 0.25 20.85 ? 67  SER   B OG  1 
ATOM   534  N N   . GLY   A 1 62  ? -12.283 -19.309 -28.563 1.00 16.76 ? 68  GLY   B N   1 
ATOM   535  C CA  . GLY   A 1 62  ? -11.673 -18.335 -27.643 1.00 17.31 ? 68  GLY   B CA  1 
ATOM   536  C C   . GLY   A 1 62  ? -12.488 -18.065 -26.392 1.00 14.78 ? 68  GLY   B C   1 
ATOM   537  O O   . GLY   A 1 62  ? -13.500 -18.737 -26.134 1.00 16.10 ? 68  GLY   B O   1 
ATOM   538  N N   . LYS   A 1 63  ? -12.004 -17.077 -25.675 1.00 14.53 ? 69  LYS   B N   1 
ATOM   539  C CA  . LYS   A 1 63  ? -12.583 -16.614 -24.416 1.00 14.94 ? 69  LYS   B CA  1 
ATOM   540  C C   . LYS   A 1 63  ? -13.004 -15.171 -24.652 1.00 14.16 ? 69  LYS   B C   1 
ATOM   541  O O   . LYS   A 1 63  ? -12.211 -14.369 -25.116 1.00 15.96 ? 69  LYS   B O   1 
ATOM   542  C CB  . LYS   A 1 63  ? -11.566 -16.762 -23.287 1.00 16.37 ? 69  LYS   B CB  1 
ATOM   543  C CG  . LYS   A 1 63  ? -11.145 -18.192 -22.966 1.00 16.94 ? 69  LYS   B CG  1 
ATOM   544  C CD  . LYS   A 1 63  ? -10.013 -18.247 -21.922 1.00 20.27 ? 69  LYS   B CD  1 
ATOM   545  C CE  . LYS   A 1 63  ? -9.630  -19.668 -21.592 1.00 23.49 ? 69  LYS   B CE  1 
ATOM   546  N NZ  . LYS   A 1 63  ? -8.611  -19.691 -20.516 1.00 27.14 ? 69  LYS   B NZ  1 
ATOM   547  N N   . MET   A 1 64  ? -14.233 -14.832 -24.239 1.00 13.27 ? 70  MET   B N   1 
ATOM   548  C CA  . MET   A 1 64  ? -14.861 -13.509 -24.453 1.00 13.31 ? 70  MET   B CA  1 
ATOM   549  C C   . MET   A 1 64  ? -15.526 -13.068 -23.159 1.00 12.43 ? 70  MET   B C   1 
ATOM   550  O O   . MET   A 1 64  ? -16.093 -13.900 -22.456 1.00 13.30 ? 70  MET   B O   1 
ATOM   551  C CB  . MET   A 1 64  ? -15.967 -13.605 -25.488 1.00 13.57 ? 70  MET   B CB  1 
ATOM   552  C CG  . MET   A 1 64  ? -15.521 -13.772 -26.923 1.00 15.04 ? 70  MET   B CG  1 
ATOM   553  S SD  . MET   A 1 64  ? -14.748 -15.330 -27.447 1.00 16.97 ? 70  MET   B SD  1 
ATOM   554  C CE  . MET   A 1 64  ? -15.985 -16.556 -27.052 1.00 16.66 ? 70  MET   B CE  1 
ATOM   555  N N   . TYR   A 1 65  ? -15.489 -11.795 -22.859 1.00 12.54 ? 71  TYR   B N   1 
ATOM   556  C CA  . TYR   A 1 65  ? -16.103 -11.224 -21.634 1.00 12.69 ? 71  TYR   B CA  1 
ATOM   557  C C   . TYR   A 1 65  ? -16.699 -9.874  -21.977 1.00 13.52 ? 71  TYR   B C   1 
ATOM   558  O O   . TYR   A 1 65  ? -16.059 -9.044  -22.699 1.00 14.53 ? 71  TYR   B O   1 
ATOM   559  C CB  . TYR   A 1 65  ? -15.048 -11.062 -20.525 1.00 13.94 ? 71  TYR   B CB  1 
ATOM   560  C CG  . TYR   A 1 65  ? -15.557 -10.443 -19.248 1.00 13.90 ? 71  TYR   B CG  1 
ATOM   561  C CD1 . TYR   A 1 65  ? -16.305 -11.195 -18.362 1.00 13.61 ? 71  TYR   B CD1 1 
ATOM   562  C CD2 . TYR   A 1 65  ? -15.403 -9.092  -18.995 1.00 13.93 ? 71  TYR   B CD2 1 
ATOM   563  C CE1 . TYR   A 1 65  ? -16.816 -10.652 -17.192 1.00 14.26 ? 71  TYR   B CE1 1 
ATOM   564  C CE2 . TYR   A 1 65  ? -15.922 -8.521  -17.848 1.00 13.27 ? 71  TYR   B CE2 1 
ATOM   565  C CZ  . TYR   A 1 65  ? -16.626 -9.290  -16.947 1.00 13.78 ? 71  TYR   B CZ  1 
ATOM   566  O OH  . TYR   A 1 65  ? -17.139 -8.714  -15.825 1.00 15.98 ? 71  TYR   B OH  1 
ATOM   567  N N   . TRP   A 1 66  ? -17.922 -9.630  -21.533 1.00 11.45 ? 72  TRP   B N   1 
ATOM   568  C CA  . TRP   A 1 66  ? -18.508 -8.277  -21.616 1.00 12.33 ? 72  TRP   B CA  1 
ATOM   569  C C   . TRP   A 1 66  ? -19.411 -8.008  -20.401 1.00 12.36 ? 72  TRP   B C   1 
ATOM   570  O O   . TRP   A 1 66  ? -19.745 -8.935  -19.667 1.00 12.81 ? 72  TRP   B O   1 
ATOM   571  C CB  . TRP   A 1 66  ? -19.244 -8.069  -22.973 1.00 11.52 ? 72  TRP   B CB  1 
ATOM   572  C CG  . TRP   A 1 66  ? -20.427 -8.955  -23.233 1.00 11.81 ? 72  TRP   B CG  1 
ATOM   573  C CD1 . TRP   A 1 66  ? -21.765 -8.659  -23.030 1.00 11.94 ? 72  TRP   B CD1 1 
ATOM   574  C CD2 . TRP   A 1 66  ? -20.424 -10.284 -23.752 1.00 11.76 ? 72  TRP   B CD2 1 
ATOM   575  N NE1 . TRP   A 1 66  ? -22.551 -9.709  -23.426 1.00 12.37 ? 72  TRP   B NE1 1 
ATOM   576  C CE2 . TRP   A 1 66  ? -21.759 -10.724 -23.877 1.00 12.67 ? 72  TRP   B CE2 1 
ATOM   577  C CE3 . TRP   A 1 66  ? -19.396 -11.141 -24.155 1.00 14.16 ? 72  TRP   B CE3 1 
ATOM   578  C CZ2 . TRP   A 1 66  ? -22.104 -11.971 -24.369 1.00 13.23 ? 72  TRP   B CZ2 1 
ATOM   579  C CZ3 . TRP   A 1 66  ? -19.732 -12.388 -24.621 1.00 16.04 ? 72  TRP   B CZ3 1 
ATOM   580  C CH2 . TRP   A 1 66  ? -21.057 -12.790 -24.742 1.00 14.65 ? 72  TRP   B CH2 1 
ATOM   581  N N   . GLU   A 1 67  ? -19.844 -6.752  -20.240 1.00 12.52 ? 73  GLU   B N   1 
ATOM   582  C CA  . GLU   A 1 67  ? -20.666 -6.311  -19.085 1.00 12.20 ? 73  GLU   B CA  1 
ATOM   583  C C   . GLU   A 1 67  ? -21.892 -5.557  -19.567 1.00 11.20 ? 73  GLU   B C   1 
ATOM   584  O O   . GLU   A 1 67  ? -21.791 -4.834  -20.582 1.00 12.03 ? 73  GLU   B O   1 
ATOM   585  C CB  . GLU   A 1 67  ? -19.844 -5.439  -18.137 1.00 13.50 ? 73  GLU   B CB  1 
ATOM   586  C CG  . GLU   A 1 67  ? -18.798 -6.285  -17.411 1.00 15.76 ? 73  GLU   B CG  1 
ATOM   587  C CD  . GLU   A 1 67  ? -17.907 -5.539  -16.447 1.00 19.28 ? 73  GLU   B CD  1 
ATOM   588  O OE1 . GLU   A 1 67  ? -18.070 -4.285  -16.400 1.00 23.87 ? 73  GLU   B OE1 1 
ATOM   589  O OE2 . GLU   A 1 67  ? -17.077 -6.211  -15.707 1.00 17.56 ? 73  GLU   B OE2 1 
ATOM   590  N N   . VAL   A 1 68  ? -23.004 -5.771  -18.877 1.00 11.71 ? 74  VAL   B N   1 
ATOM   591  C CA  . VAL   A 1 68  ? -24.272 -5.130  -19.224 1.00 10.97 ? 74  VAL   B CA  1 
ATOM   592  C C   . VAL   A 1 68  ? -24.852 -4.446  -17.981 1.00 11.15 ? 74  VAL   B C   1 
ATOM   593  O O   . VAL   A 1 68  ? -24.950 -5.087  -16.919 1.00 12.26 ? 74  VAL   B O   1 
ATOM   594  C CB  . VAL   A 1 68  ? -25.283 -6.136  -19.792 1.00 11.55 ? 74  VAL   B CB  1 
ATOM   595  C CG1 . VAL   A 1 68  ? -26.507 -5.395  -20.280 1.00 13.56 ? 74  VAL   B CG1 1 
ATOM   596  C CG2 . VAL   A 1 68  ? -24.675 -7.024  -20.863 1.00 12.82 ? 74  VAL   B CG2 1 
ATOM   597  N N   . ASP   A 1 69  ? -25.289 -3.185  -18.147 1.00 11.37 ? 75  ASP   B N   1 
ATOM   598  C CA  . ASP   A 1 69  ? -25.981 -2.403  -17.090 1.00 12.48 ? 75  ASP   B CA  1 
ATOM   599  C C   . ASP   A 1 69  ? -27.462 -2.706  -17.153 1.00 11.54 ? 75  ASP   B C   1 
ATOM   600  O O   . ASP   A 1 69  ? -28.060 -2.592  -18.271 1.00 11.64 ? 75  ASP   B O   1 
ATOM   601  C CB  . ASP   A 1 69  ? -25.681 -0.914  -17.266 1.00 14.73 ? 75  ASP   B CB  1 
ATOM   602  C CG  . ASP   A 1 69  ? -26.043 -0.085  -16.039 1.00 16.67 ? 75  ASP   B CG  1 
ATOM   603  O OD1 . ASP   A 1 69  ? -27.199 -0.066  -15.667 1.00 16.28 ? 75  ASP   B OD1 1 
ATOM   604  O OD2 . ASP   A 1 69  ? -25.124 0.376   -15.351 1.00 21.72 ? 75  ASP   B OD2 1 
ATOM   605  N N   . VAL   A 1 70  ? -28.046 -3.088  -16.026 1.00 11.16 ? 76  VAL   B N   1 
ATOM   606  C CA  . VAL   A 1 70  ? -29.480 -3.438  -15.852 1.00 12.01 ? 76  VAL   B CA  1 
ATOM   607  C C   . VAL   A 1 70  ? -30.172 -2.525  -14.824 1.00 12.85 ? 76  VAL   B C   1 
ATOM   608  O O   . VAL   A 1 70  ? -31.228 -2.866  -14.308 1.00 12.94 ? 76  VAL   B O   1 
ATOM   609  C CB  . VAL   A 1 70  ? -29.618 -4.939  -15.510 1.00 11.92 ? 76  VAL   B CB  1 
ATOM   610  C CG1 . VAL   A 1 70  ? -29.017 -5.830  -16.625 1.00 11.57 ? 76  VAL   B CG1 1 
ATOM   611  C CG2 . VAL   A 1 70  ? -29.020 -5.309  -14.165 1.00 11.77 ? 76  VAL   B CG2 1 
ATOM   612  N N   . THR   A 1 71  ? -29.545 -1.411  -14.484 1.00 13.23 ? 77  THR   B N   1 
ATOM   613  C CA  . THR   A 1 71  ? -30.050 -0.498  -13.448 1.00 14.04 ? 77  THR   B CA  1 
ATOM   614  C C   . THR   A 1 71  ? -31.545 -0.189  -13.635 1.00 14.32 ? 77  THR   B C   1 
ATOM   615  O O   . THR   A 1 71  ? -31.980 0.205   -14.716 1.00 13.94 ? 77  THR   B O   1 
ATOM   616  C CB  . THR   A 1 71  ? -29.270 0.807   -13.439 1.00 14.87 ? 77  THR   B CB  1 
ATOM   617  O OG1 . THR   A 1 71  ? -27.898 0.527   -13.139 1.00 16.41 ? 77  THR   B OG1 1 
ATOM   618  C CG2 . THR   A 1 71  ? -29.865 1.721   -12.401 1.00 16.44 ? 77  THR   B CG2 1 
ATOM   619  N N   . GLN   A 1 72  ? -32.289 -0.426  -12.556 0.72 16.45 ? 78  GLN   B N   1 
ATOM   620  C CA  . GLN   A 1 72  ? -33.714 -0.075  -12.327 0.72 17.48 ? 78  GLN   B CA  1 
ATOM   621  C C   . GLN   A 1 72  ? -34.679 -0.920  -13.149 0.72 17.85 ? 78  GLN   B C   1 
ATOM   622  O O   . GLN   A 1 72  ? -35.890 -0.693  -13.041 0.72 18.08 ? 78  GLN   B O   1 
ATOM   623  C CB  . GLN   A 1 72  ? -33.941 1.413   -12.555 0.72 20.53 ? 78  GLN   B CB  1 
ATOM   624  C CG  . GLN   A 1 72  ? -33.686 2.179   -11.271 0.72 22.35 ? 78  GLN   B CG  1 
ATOM   625  C CD  . GLN   A 1 72  ? -34.643 1.759   -10.177 0.72 23.23 ? 78  GLN   B CD  1 
ATOM   626  O OE1 . GLN   A 1 72  ? -35.830 2.040   -10.232 0.72 25.61 ? 78  GLN   B OE1 1 
ATOM   627  N NE2 . GLN   A 1 72  ? -34.145 1.029   -9.195  0.72 24.13 ? 78  GLN   B NE2 1 
ATOM   628  N N   . LYS   A 1 73  ? -34.199 -1.897  -13.903 1.00 14.22 ? 79  LYS   B N   1 
ATOM   629  C CA  . LYS   A 1 73  ? -35.119 -2.750  -14.660 1.00 13.18 ? 79  LYS   B CA  1 
ATOM   630  C C   . LYS   A 1 73  ? -35.805 -3.785  -13.759 1.00 11.87 ? 79  LYS   B C   1 
ATOM   631  O O   . LYS   A 1 73  ? -35.172 -4.299  -12.778 1.00 14.51 ? 79  LYS   B O   1 
ATOM   632  C CB  . LYS   A 1 73  ? -34.382 -3.435  -15.789 1.00 12.70 ? 79  LYS   B CB  1 
ATOM   633  C CG  . LYS   A 1 73  ? -33.904 -2.457  -16.869 1.00 12.84 ? 79  LYS   B CG  1 
ATOM   634  C CD  . LYS   A 1 73  ? -33.429 -3.076  -18.160 1.00 12.65 ? 79  LYS   B CD  1 
ATOM   635  C CE  . LYS   A 1 73  ? -34.496 -3.829  -18.918 1.00 11.75 ? 79  LYS   B CE  1 
ATOM   636  N NZ  . LYS   A 1 73  ? -35.694 -2.982  -19.213 1.00 11.79 ? 79  LYS   B NZ  1 
ATOM   637  N N   . GLU   A 1 74  ? -37.064 -4.067  -14.051 1.00 10.91 ? 80  GLU   B N   1 
ATOM   638  C CA  . GLU   A 1 74  ? -37.868 -5.079  -13.344 1.00 11.26 ? 80  GLU   B CA  1 
ATOM   639  C C   . GLU   A 1 74  ? -37.774 -6.443  -14.029 1.00 11.45 ? 80  GLU   B C   1 
ATOM   640  O O   . GLU   A 1 74  ? -38.119 -7.458  -13.451 1.00 11.66 ? 80  GLU   B O   1 
ATOM   641  C CB  . GLU   A 1 74  ? -39.355 -4.660  -13.321 1.00 12.11 ? 80  GLU   B CB  1 
ATOM   642  C CG  . GLU   A 1 74  ? -39.630 -3.400  -12.532 1.00 13.47 ? 80  GLU   B CG  1 
ATOM   643  C CD  . GLU   A 1 74  ? -41.103 -2.982  -12.636 1.00 14.11 ? 80  GLU   B CD  1 
ATOM   644  O OE1 . GLU   A 1 74  ? -41.505 -2.142  -11.800 1.00 17.51 ? 80  GLU   B OE1 1 
ATOM   645  O OE2 . GLU   A 1 74  ? -41.819 -3.523  -13.533 1.00 16.46 ? 80  GLU   B OE2 1 
ATOM   646  N N   . ALA   A 1 75  ? -37.418 -6.480  -15.315 1.00 10.61 ? 81  ALA   B N   1 
ATOM   647  C CA  . ALA   A 1 75  ? -37.420 -7.736  -16.075 1.00 10.79 ? 81  ALA   B CA  1 
ATOM   648  C C   . ALA   A 1 75  ? -36.444 -7.606  -17.235 1.00 11.41 ? 81  ALA   B C   1 
ATOM   649  O O   . ALA   A 1 75  ? -36.400 -6.558  -17.904 1.00 11.01 ? 81  ALA   B O   1 
ATOM   650  C CB  . ALA   A 1 75  ? -38.805 -8.061  -16.591 1.00 11.74 ? 81  ALA   B CB  1 
ATOM   651  N N   . TRP   A 1 76  ? -35.729 -8.697  -17.498 1.00 10.45 ? 82  TRP   B N   1 
ATOM   652  C CA  . TRP   A 1 76  ? -34.743 -8.758  -18.613 1.00 10.24 ? 82  TRP   B CA  1 
ATOM   653  C C   . TRP   A 1 76  ? -34.232 -10.183 -18.711 1.00 10.42 ? 82  TRP   B C   1 
ATOM   654  O O   . TRP   A 1 76  ? -34.316 -10.917 -17.734 1.00 10.75 ? 82  TRP   B O   1 
ATOM   655  C CB  . TRP   A 1 76  ? -33.572 -7.795  -18.400 1.00 10.84 ? 82  TRP   B CB  1 
ATOM   656  C CG  . TRP   A 1 76  ? -32.892 -7.816  -17.069 1.00 10.77 ? 82  TRP   B CG  1 
ATOM   657  C CD1 . TRP   A 1 76  ? -33.109 -6.961  -16.038 1.00 11.63 ? 82  TRP   B CD1 1 
ATOM   658  C CD2 . TRP   A 1 76  ? -31.927 -8.763  -16.537 1.00 10.69 ? 82  TRP   B CD2 1 
ATOM   659  N NE1 . TRP   A 1 76  ? -32.332 -7.238  -14.959 1.00 11.56 ? 82  TRP   B NE1 1 
ATOM   660  C CE2 . TRP   A 1 76  ? -31.623 -8.403  -15.216 1.00 11.62 ? 82  TRP   B CE2 1 
ATOM   661  C CE3 . TRP   A 1 76  ? -31.322 -9.922  -17.056 1.00 11.22 ? 82  TRP   B CE3 1 
ATOM   662  C CZ2 . TRP   A 1 76  ? -30.691 -9.074  -14.423 1.00 11.57 ? 82  TRP   B CZ2 1 
ATOM   663  C CZ3 . TRP   A 1 76  ? -30.414 -10.604 -16.279 1.00 11.69 ? 82  TRP   B CZ3 1 
ATOM   664  C CH2 . TRP   A 1 76  ? -30.098 -10.186 -14.976 1.00 12.21 ? 82  TRP   B CH2 1 
ATOM   665  N N   . ASP   A 1 77  ? -33.688 -10.517 -19.879 1.00 10.10 ? 83  ASP   B N   1 
ATOM   666  C CA  . ASP   A 1 77  ? -32.923 -11.774 -20.084 1.00 10.37 ? 83  ASP   B CA  1 
ATOM   667  C C   . ASP   A 1 77  ? -31.552 -11.380 -20.653 1.00 10.26 ? 83  ASP   B C   1 
ATOM   668  O O   . ASP   A 1 77  ? -31.496 -10.473 -21.513 1.00 9.89  ? 83  ASP   B O   1 
ATOM   669  C CB  . ASP   A 1 77  ? -33.586 -12.730 -21.072 1.00 11.37 ? 83  ASP   B CB  1 
ATOM   670  C CG  . ASP   A 1 77  ? -35.080 -12.968 -20.937 1.00 13.61 ? 83  ASP   B CG  1 
ATOM   671  O OD1 . ASP   A 1 77  ? -35.530 -12.993 -19.823 1.00 16.82 ? 83  ASP   B OD1 1 
ATOM   672  O OD2 . ASP   A 1 77  ? -35.759 -13.119 -21.984 1.00 15.58 ? 83  ASP   B OD2 1 
ATOM   673  N N   . LEU   A 1 78  ? -30.488 -12.088 -20.293 1.00 9.42  ? 84  LEU   B N   1 
ATOM   674  C CA  . LEU   A 1 78  ? -29.133 -11.815 -20.826 1.00 9.68  ? 84  LEU   B CA  1 
ATOM   675  C C   . LEU   A 1 78  ? -28.403 -13.143 -20.998 1.00 9.41  ? 84  LEU   B C   1 
ATOM   676  O O   . LEU   A 1 78  ? -28.534 -14.061 -20.181 1.00 9.35  ? 84  LEU   B O   1 
ATOM   677  C CB  . LEU   A 1 78  ? -28.297 -10.967 -19.863 1.00 9.87  ? 84  LEU   B CB  1 
ATOM   678  C CG  . LEU   A 1 78  ? -28.669 -9.499  -19.744 1.00 11.53 ? 84  LEU   B CG  1 
ATOM   679  C CD1 . LEU   A 1 78  ? -27.847 -8.866  -18.622 1.00 12.18 ? 84  LEU   B CD1 1 
ATOM   680  C CD2 . LEU   A 1 78  ? -28.435 -8.800  -21.056 1.00 11.31 ? 84  LEU   B CD2 1 
ATOM   681  N N   . GLY   A 1 79  ? -27.561 -13.166 -22.023 1.00 8.48  ? 85  GLY   B N   1 
ATOM   682  C CA  . GLY   A 1 79  ? -26.624 -14.289 -22.176 1.00 9.39  ? 85  GLY   B CA  1 
ATOM   683  C C   . GLY   A 1 79  ? -26.069 -14.359 -23.584 1.00 8.84  ? 85  GLY   B C   1 
ATOM   684  O O   . GLY   A 1 79  ? -25.690 -13.342 -24.147 1.00 9.30  ? 85  GLY   B O   1 
ATOM   685  N N   A VAL   A 1 80  ? -25.951 -15.587 -24.092 0.25 8.89  ? 86  VAL   B N   1 
ATOM   686  N N   B VAL   A 1 80  ? -26.051 -15.560 -24.135 0.25 9.09  ? 86  VAL   B N   1 
ATOM   687  C CA  A VAL   A 1 80  ? -25.550 -15.884 -25.498 0.25 9.51  ? 86  VAL   B CA  1 
ATOM   688  C CA  B VAL   A 1 80  ? -25.493 -15.813 -25.486 0.25 9.80  ? 86  VAL   B CA  1 
ATOM   689  C C   A VAL   A 1 80  ? -26.550 -16.842 -26.123 0.25 9.74  ? 86  VAL   B C   1 
ATOM   690  C C   B VAL   A 1 80  ? -26.367 -16.903 -26.118 0.25 9.93  ? 86  VAL   B C   1 
ATOM   691  O O   A VAL   A 1 80  ? -27.276 -17.567 -25.406 0.25 9.73  ? 86  VAL   B O   1 
ATOM   692  O O   B VAL   A 1 80  ? -26.941 -17.708 -25.366 0.25 9.84  ? 86  VAL   B O   1 
ATOM   693  C CB  A VAL   A 1 80  ? -24.148 -16.509 -25.632 0.25 9.74  ? 86  VAL   B CB  1 
ATOM   694  C CB  B VAL   A 1 80  ? -24.001 -16.179 -25.343 0.25 10.39 ? 86  VAL   B CB  1 
ATOM   695  C CG1 A VAL   A 1 80  ? -23.086 -15.503 -25.276 0.25 9.91  ? 86  VAL   B CG1 1 
ATOM   696  C CG1 B VAL   A 1 80  ? -23.824 -17.508 -24.628 0.25 10.33 ? 86  VAL   B CG1 1 
ATOM   697  C CG2 A VAL   A 1 80  ? -23.984 -17.775 -24.810 0.25 9.80  ? 86  VAL   B CG2 1 
ATOM   698  C CG2 B VAL   A 1 80  ? -23.263 -16.157 -26.668 0.25 10.88 ? 86  VAL   B CG2 1 
ATOM   699  N N   . CYS   A 1 81  ? -26.521 -16.899 -27.442 1.00 9.74  ? 87  CYS   B N   1 
ATOM   700  C CA  . CYS   A 1 81  ? -27.330 -17.889 -28.146 1.00 10.86 ? 87  CYS   B CA  1 
ATOM   701  C C   . CYS   A 1 81  ? -26.661 -18.284 -29.447 1.00 10.46 ? 87  CYS   B C   1 
ATOM   702  O O   . CYS   A 1 81  ? -25.769 -17.557 -29.957 1.00 10.64 ? 87  CYS   B O   1 
ATOM   703  C CB  . CYS   A 1 81  ? -28.740 -17.370 -28.392 1.00 12.05 ? 87  CYS   B CB  1 
ATOM   704  S SG  . CYS   A 1 81  ? -28.835 -15.955 -29.527 1.00 12.15 ? 87  CYS   B SG  1 
ATOM   705  N N   A ARG   A 1 82  ? -27.099 -19.404 -29.981 0.25 10.78 ? 88  ARG   B N   1 
ATOM   706  N N   B ARG   A 1 82  ? -27.076 -19.420 -29.977 0.25 10.14 ? 88  ARG   B N   1 
ATOM   707  C CA  A ARG   A 1 82  ? -26.679 -19.814 -31.339 0.25 11.38 ? 88  ARG   B CA  1 
ATOM   708  C CA  B ARG   A 1 82  ? -26.622 -19.887 -31.314 0.25 10.26 ? 88  ARG   B CA  1 
ATOM   709  C C   A ARG   A 1 82  ? -27.093 -18.756 -32.357 0.25 11.14 ? 88  ARG   B C   1 
ATOM   710  C C   B ARG   A 1 82  ? -27.125 -18.901 -32.389 0.25 10.59 ? 88  ARG   B C   1 
ATOM   711  O O   A ARG   A 1 82  ? -28.140 -18.122 -32.211 0.25 10.98 ? 88  ARG   B O   1 
ATOM   712  O O   B ARG   A 1 82  ? -28.288 -18.456 -32.294 0.25 10.71 ? 88  ARG   B O   1 
ATOM   713  C CB  A ARG   A 1 82  ? -27.341 -21.133 -31.721 0.25 12.63 ? 88  ARG   B CB  1 
ATOM   714  C CB  B ARG   A 1 82  ? -27.135 -21.316 -31.546 0.25 10.46 ? 88  ARG   B CB  1 
ATOM   715  C CG  A ARG   A 1 82  ? -26.879 -22.272 -30.838 0.25 13.73 ? 88  ARG   B CG  1 
ATOM   716  C CG  B ARG   A 1 82  ? -26.477 -22.046 -32.710 0.25 10.48 ? 88  ARG   B CG  1 
ATOM   717  C CD  A ARG   A 1 82  ? -27.459 -23.594 -31.274 0.25 15.42 ? 88  ARG   B CD  1 
ATOM   718  C CD  B ARG   A 1 82  ? -27.043 -23.427 -32.977 0.25 10.34 ? 88  ARG   B CD  1 
ATOM   719  N NE  A ARG   A 1 82  ? -27.082 -24.653 -30.351 0.25 15.10 ? 88  ARG   B NE  1 
ATOM   720  N NE  B ARG   A 1 82  ? -26.895 -24.272 -31.810 0.25 10.20 ? 88  ARG   B NE  1 
ATOM   721  C CZ  A ARG   A 1 82  ? -27.884 -25.642 -30.005 0.25 15.75 ? 88  ARG   B CZ  1 
ATOM   722  C CZ  B ARG   A 1 82  ? -27.899 -24.865 -31.153 0.25 10.02 ? 88  ARG   B CZ  1 
ATOM   723  N NH1 A ARG   A 1 82  ? -29.110 -25.695 -30.494 0.25 15.54 ? 88  ARG   B NH1 1 
ATOM   724  N NH1 B ARG   A 1 82  ? -29.131 -24.798 -31.601 0.25 11.04 ? 88  ARG   B NH1 1 
ATOM   725  N NH2 A ARG   A 1 82  ? -27.456 -26.565 -29.164 0.25 17.38 ? 88  ARG   B NH2 1 
ATOM   726  N NH2 B ARG   A 1 82  ? -27.652 -25.552 -30.057 0.25 10.16 ? 88  ARG   B NH2 1 
ATOM   727  N N   . ASP   A 1 83  ? -26.300 -18.600 -33.407 1.00 11.91 ? 89  ASP   B N   1 
ATOM   728  C CA  . ASP   A 1 83  ? -26.702 -17.699 -34.516 1.00 13.25 ? 89  ASP   B CA  1 
ATOM   729  C C   . ASP   A 1 83  ? -28.002 -18.205 -35.121 1.00 14.58 ? 89  ASP   B C   1 
ATOM   730  O O   . ASP   A 1 83  ? -28.775 -17.372 -35.623 1.00 17.05 ? 89  ASP   B O   1 
ATOM   731  C CB  . ASP   A 1 83  ? -25.587 -17.632 -35.552 1.00 15.76 ? 89  ASP   B CB  1 
ATOM   732  C CG  . ASP   A 1 83  ? -25.185 -18.909 -36.232 1.00 18.49 ? 89  ASP   B CG  1 
ATOM   733  O OD1 . ASP   A 1 83  ? -25.642 -20.020 -35.837 1.00 20.48 ? 89  ASP   B OD1 1 
ATOM   734  O OD2 . ASP   A 1 83  ? -24.380 -18.776 -37.203 1.00 22.70 ? 89  ASP   B OD2 1 
ATOM   735  N N   . SER   A 1 84  ? -28.287 -19.501 -35.087 1.00 13.00 ? 90  SER   B N   1 
ATOM   736  C CA  . SER   A 1 84  ? -29.455 -20.081 -35.792 1.00 14.76 ? 90  SER   B CA  1 
ATOM   737  C C   . SER   A 1 84  ? -30.716 -20.225 -34.919 1.00 13.48 ? 90  SER   B C   1 
ATOM   738  O O   . SER   A 1 84  ? -31.618 -20.954 -35.300 1.00 14.34 ? 90  SER   B O   1 
ATOM   739  C CB  . SER   A 1 84  ? -29.054 -21.390 -36.416 1.00 16.88 ? 90  SER   B CB  1 
ATOM   740  O OG  . SER   A 1 84  ? -28.572 -22.252 -35.468 1.00 17.77 ? 90  SER   B OG  1 
ATOM   741  N N   . VAL   A 1 85  ? -30.795 -19.580 -33.750 1.00 12.29 ? 91  VAL   B N   1 
ATOM   742  C CA  . VAL   A 1 85  ? -32.027 -19.677 -32.925 1.00 13.09 ? 91  VAL   B CA  1 
ATOM   743  C C   . VAL   A 1 85  ? -33.225 -19.193 -33.750 1.00 12.63 ? 91  VAL   B C   1 
ATOM   744  O O   . VAL   A 1 85  ? -33.128 -18.266 -34.580 1.00 13.18 ? 91  VAL   B O   1 
ATOM   745  C CB  . VAL   A 1 85  ? -31.929 -18.943 -31.572 1.00 12.01 ? 91  VAL   B CB  1 
ATOM   746  C CG1 . VAL   A 1 85  ? -30.919 -19.612 -30.657 1.00 12.28 ? 91  VAL   B CG1 1 
ATOM   747  C CG2 . VAL   A 1 85  ? -31.692 -17.456 -31.702 1.00 11.94 ? 91  VAL   B CG2 1 
ATOM   748  N N   . GLN   A 1 86  ? -34.347 -19.828 -33.442 1.00 13.83 ? 92  GLN   B N   1 
ATOM   749  C CA  . GLN   A 1 86  ? -35.695 -19.403 -33.911 1.00 15.03 ? 92  GLN   B CA  1 
ATOM   750  C C   . GLN   A 1 86  ? -35.925 -17.919 -33.602 1.00 13.90 ? 92  GLN   B C   1 
ATOM   751  O O   . GLN   A 1 86  ? -35.637 -17.483 -32.503 1.00 14.71 ? 92  GLN   B O   1 
ATOM   752  C CB  . GLN   A 1 86  ? -36.703 -20.319 -33.207 1.00 17.52 ? 92  GLN   B CB  1 
ATOM   753  C CG  . GLN   A 1 86  ? -38.180 -20.012 -33.463 1.00 20.09 ? 92  GLN   B CG  1 
ATOM   754  C CD  . GLN   A 1 86  ? -39.093 -20.858 -32.579 1.00 22.74 ? 92  GLN   B CD  1 
ATOM   755  O OE1 . GLN   A 1 86  ? -38.693 -21.843 -31.907 1.00 24.64 ? 92  GLN   B OE1 1 
ATOM   756  N NE2 . GLN   A 1 86  ? -40.379 -20.496 -32.528 1.00 24.51 ? 92  GLN   B NE2 1 
ATOM   757  N N   . ARG   A 1 87  ? -36.503 -17.186 -34.547 1.00 13.07 ? 93  ARG   B N   1 
ATOM   758  C CA  . ARG   A 1 87  ? -36.786 -15.731 -34.413 1.00 12.42 ? 93  ARG   B CA  1 
ATOM   759  C C   . ARG   A 1 87  ? -38.300 -15.521 -34.286 1.00 13.45 ? 93  ARG   B C   1 
ATOM   760  O O   . ARG   A 1 87  ? -38.662 -14.507 -33.690 1.00 13.51 ? 93  ARG   B O   1 
ATOM   761  C CB  . ARG   A 1 87  ? -36.238 -14.896 -35.564 1.00 12.92 ? 93  ARG   B CB  1 
ATOM   762  C CG  . ARG   A 1 87  ? -34.765 -15.124 -35.898 1.00 12.54 ? 93  ARG   B CG  1 
ATOM   763  C CD  . ARG   A 1 87  ? -33.851 -14.899 -34.681 1.00 14.11 ? 93  ARG   B CD  1 
ATOM   764  N NE  . ARG   A 1 87  ? -32.460 -15.321 -35.000 1.00 14.88 ? 93  ARG   B NE  1 
ATOM   765  C CZ  . ARG   A 1 87  ? -31.550 -14.599 -35.627 1.00 14.53 ? 93  ARG   B CZ  1 
ATOM   766  N NH1 . ARG   A 1 87  ? -31.823 -13.367 -36.003 1.00 15.79 ? 93  ARG   B NH1 1 
ATOM   767  N NH2 . ARG   A 1 87  ? -30.381 -15.123 -35.944 1.00 17.06 ? 93  ARG   B NH2 1 
ATOM   768  N N   . LYS   A 1 88  ? -39.132 -16.379 -34.898 1.00 13.31 ? 94  LYS   B N   1 
ATOM   769  C CA  . LYS   A 1 88  ? -40.587 -16.116 -35.029 1.00 13.81 ? 94  LYS   B CA  1 
ATOM   770  C C   . LYS   A 1 88  ? -41.379 -17.031 -34.123 1.00 15.08 ? 94  LYS   B C   1 
ATOM   771  O O   . LYS   A 1 88  ? -41.006 -18.221 -34.007 1.00 17.37 ? 94  LYS   B O   1 
ATOM   772  C CB  . LYS   A 1 88  ? -40.995 -16.268 -36.498 1.00 14.44 ? 94  LYS   B CB  1 
ATOM   773  C CG  . LYS   A 1 88  ? -40.179 -15.490 -37.488 1.00 15.11 ? 94  LYS   B CG  1 
ATOM   774  C CD  . LYS   A 1 88  ? -40.162 -13.986 -37.224 1.00 15.83 ? 94  LYS   B CD  1 
ATOM   775  C CE  . LYS   A 1 88  ? -39.440 -13.308 -38.346 1.00 16.54 ? 94  LYS   B CE  1 
ATOM   776  N NZ  . LYS   A 1 88  ? -39.316 -11.845 -38.118 1.00 17.78 ? 94  LYS   B NZ  1 
ATOM   777  N N   . GLY   A 1 89  ? -42.456 -16.524 -33.537 1.00 16.21 ? 95  GLY   B N   1 
ATOM   778  C CA  . GLY   A 1 89  ? -43.340 -17.350 -32.718 1.00 16.99 ? 95  GLY   B CA  1 
ATOM   779  C C   . GLY   A 1 89  ? -42.856 -17.518 -31.300 1.00 17.62 ? 95  GLY   B C   1 
ATOM   780  O O   . GLY   A 1 89  ? -41.896 -16.794 -30.886 1.00 17.12 ? 95  GLY   B O   1 
ATOM   781  N N   . GLN   A 1 90  ? -43.518 -18.396 -30.567 1.00 17.28 ? 96  GLN   B N   1 
ATOM   782  C CA  . GLN   A 1 90  ? -43.237 -18.635 -29.141 1.00 18.64 ? 96  GLN   B CA  1 
ATOM   783  C C   . GLN   A 1 90  ? -42.153 -19.686 -28.976 1.00 18.11 ? 96  GLN   B C   1 
ATOM   784  O O   . GLN   A 1 90  ? -42.044 -20.611 -29.794 1.00 18.28 ? 96  GLN   B O   1 
ATOM   785  C CB  . GLN   A 1 90  ? -44.537 -19.088 -28.465 1.00 21.74 ? 96  GLN   B CB  1 
ATOM   786  C CG  . GLN   A 1 90  ? -45.581 -18.001 -28.576 1.00 26.93 ? 96  GLN   B CG  1 
ATOM   787  C CD  . GLN   A 1 90  ? -46.943 -18.487 -28.182 1.00 38.75 ? 96  GLN   B CD  1 
ATOM   788  O OE1 . GLN   A 1 90  ? -47.304 -18.426 -27.009 1.00 48.74 ? 96  GLN   B OE1 1 
ATOM   789  N NE2 . GLN   A 1 90  ? -47.684 -18.981 -29.166 1.00 39.98 ? 96  GLN   B NE2 1 
ATOM   790  N N   . PHE   A 1 91  ? -41.309 -19.488 -27.971 1.00 15.43 ? 97  PHE   B N   1 
ATOM   791  C CA  . PHE   A 1 91  ? -40.268 -20.474 -27.623 1.00 16.07 ? 97  PHE   B CA  1 
ATOM   792  C C   . PHE   A 1 91  ? -39.778 -20.197 -26.213 1.00 15.78 ? 97  PHE   B C   1 
ATOM   793  O O   . PHE   A 1 91  ? -39.940 -19.084 -25.689 1.00 16.87 ? 97  PHE   B O   1 
ATOM   794  C CB  . PHE   A 1 91  ? -39.074 -20.406 -28.575 1.00 15.50 ? 97  PHE   B CB  1 
ATOM   795  C CG  . PHE   A 1 91  ? -38.470 -19.031 -28.710 1.00 14.84 ? 97  PHE   B CG  1 
ATOM   796  C CD1 . PHE   A 1 91  ? -37.495 -18.599 -27.832 1.00 15.32 ? 97  PHE   B CD1 1 
ATOM   797  C CD2 . PHE   A 1 91  ? -38.832 -18.191 -29.752 1.00 14.33 ? 97  PHE   B CD2 1 
ATOM   798  C CE1 . PHE   A 1 91  ? -36.893 -17.365 -27.987 1.00 14.83 ? 97  PHE   B CE1 1 
ATOM   799  C CE2 . PHE   A 1 91  ? -38.223 -16.960 -29.919 1.00 15.16 ? 97  PHE   B CE2 1 
ATOM   800  C CZ  . PHE   A 1 91  ? -37.266 -16.550 -29.030 1.00 15.04 ? 97  PHE   B CZ  1 
ATOM   801  N N   A SER   A 1 92  ? -39.227 -21.218 -25.562 0.25 16.47 ? 98  SER   B N   1 
ATOM   802  N N   B SER   A 1 92  ? -39.169 -21.224 -25.621 0.25 15.63 ? 98  SER   B N   1 
ATOM   803  C CA  A SER   A 1 92  ? -38.598 -21.078 -24.228 0.25 16.66 ? 98  SER   B CA  1 
ATOM   804  C CA  B SER   A 1 92  ? -38.556 -21.193 -24.271 0.25 15.33 ? 98  SER   B CA  1 
ATOM   805  C C   A SER   A 1 92  ? -37.100 -20.840 -24.408 0.25 15.08 ? 98  SER   B C   1 
ATOM   806  C C   B SER   A 1 92  ? -37.059 -20.906 -24.387 0.25 14.24 ? 98  SER   B C   1 
ATOM   807  O O   A SER   A 1 92  ? -36.524 -21.297 -25.425 0.25 15.06 ? 98  SER   B O   1 
ATOM   808  O O   B SER   A 1 92  ? -36.420 -21.421 -25.329 0.25 13.79 ? 98  SER   B O   1 
ATOM   809  C CB  A SER   A 1 92  ? -38.826 -22.278 -23.362 0.25 19.29 ? 98  SER   B CB  1 
ATOM   810  C CB  B SER   A 1 92  ? -38.778 -22.495 -23.550 0.25 16.68 ? 98  SER   B CB  1 
ATOM   811  O OG  A SER   A 1 92  ? -38.631 -23.453 -24.121 0.25 22.07 ? 98  SER   B OG  1 
ATOM   812  O OG  B SER   A 1 92  ? -40.160 -22.652 -23.261 0.25 17.34 ? 98  SER   B OG  1 
ATOM   813  N N   . LEU   A 1 93  ? -36.513 -20.140 -23.444 1.00 14.03 ? 99  LEU   B N   1 
ATOM   814  C CA  . LEU   A 1 93  ? -35.061 -19.939 -23.381 1.00 13.62 ? 99  LEU   B CA  1 
ATOM   815  C C   . LEU   A 1 93  ? -34.455 -21.148 -22.691 1.00 13.78 ? 99  LEU   B C   1 
ATOM   816  O O   . LEU   A 1 93  ? -34.550 -21.294 -21.471 1.00 15.46 ? 99  LEU   B O   1 
ATOM   817  C CB  . LEU   A 1 93  ? -34.698 -18.653 -22.644 1.00 13.82 ? 99  LEU   B CB  1 
ATOM   818  C CG  . LEU   A 1 93  ? -35.169 -17.363 -23.287 1.00 15.56 ? 99  LEU   B CG  1 
ATOM   819  C CD1 . LEU   A 1 93  ? -34.827 -16.173 -22.384 1.00 16.51 ? 99  LEU   B CD1 1 
ATOM   820  C CD2 . LEU   A 1 93  ? -34.599 -17.161 -24.680 1.00 16.76 ? 99  LEU   B CD2 1 
ATOM   821  N N   . SER   A 1 94  ? -33.762 -22.020 -23.422 1.00 13.25 ? 100 SER   B N   1 
ATOM   822  C CA  . SER   A 1 94  ? -33.151 -23.248 -22.883 1.00 13.55 ? 100 SER   B CA  1 
ATOM   823  C C   . SER   A 1 94  ? -31.968 -23.608 -23.752 1.00 11.81 ? 100 SER   B C   1 
ATOM   824  O O   . SER   A 1 94  ? -31.973 -23.287 -24.944 1.00 11.83 ? 100 SER   B O   1 
ATOM   825  C CB  . SER   A 1 94  ? -34.095 -24.432 -22.868 1.00 15.16 ? 100 SER   B CB  1 
ATOM   826  O OG  . SER   A 1 94  ? -34.457 -24.800 -24.186 1.00 18.10 ? 100 SER   B OG  1 
ATOM   827  N N   . PRO   A 1 95  ? -31.014 -24.365 -23.213 1.00 11.25 ? 101 PRO   B N   1 
ATOM   828  C CA  . PRO   A 1 95  ? -29.921 -24.871 -24.041 1.00 12.43 ? 101 PRO   B CA  1 
ATOM   829  C C   . PRO   A 1 95  ? -30.404 -25.759 -25.192 1.00 12.50 ? 101 PRO   B C   1 
ATOM   830  O O   . PRO   A 1 95  ? -29.833 -25.669 -26.320 1.00 13.46 ? 101 PRO   B O   1 
ATOM   831  C CB  . PRO   A 1 95  ? -29.031 -25.639 -23.052 1.00 13.68 ? 101 PRO   B CB  1 
ATOM   832  C CG  . PRO   A 1 95  ? -29.300 -24.921 -21.721 1.00 13.77 ? 101 PRO   B CG  1 
ATOM   833  C CD  . PRO   A 1 95  ? -30.782 -24.618 -21.790 1.00 12.63 ? 101 PRO   B CD  1 
ATOM   834  N N   . GLU   A 1 96  ? -31.479 -26.512 -24.992 1.00 13.94 ? 102 GLU   B N   1 
ATOM   835  C CA  . GLU   A 1 96  ? -32.041 -27.351 -26.098 1.00 16.75 ? 102 GLU   B CA  1 
ATOM   836  C C   . GLU   A 1 96  ? -32.448 -26.460 -27.278 1.00 15.83 ? 102 GLU   B C   1 
ATOM   837  O O   . GLU   A 1 96  ? -32.381 -26.898 -28.447 1.00 18.05 ? 102 GLU   B O   1 
ATOM   838  C CB  . GLU   A 1 96  ? -33.205 -28.207 -25.606 1.00 20.54 ? 102 GLU   B CB  1 
ATOM   839  C CG  . GLU   A 1 96  ? -32.847 -29.010 -24.381 1.00 29.25 ? 102 GLU   B CG  1 
ATOM   840  C CD  . GLU   A 1 96  ? -33.288 -28.368 -23.068 1.00 34.70 ? 102 GLU   B CD  1 
ATOM   841  O OE1 . GLU   A 1 96  ? -32.432 -27.650 -22.382 1.00 23.51 ? 102 GLU   B OE1 1 
ATOM   842  O OE2 . GLU   A 1 96  ? -34.500 -28.632 -22.701 1.00 43.55 ? 102 GLU   B OE2 1 
ATOM   843  N N   . ASN   A 1 97  ? -32.929 -25.234 -27.033 1.00 14.13 ? 103 ASN   B N   1 
ATOM   844  C CA  . ASN   A 1 97  ? -33.323 -24.288 -28.098 1.00 13.88 ? 103 ASN   B CA  1 
ATOM   845  C C   . ASN   A 1 97  ? -32.180 -23.349 -28.497 1.00 13.02 ? 103 ASN   B C   1 
ATOM   846  O O   . ASN   A 1 97  ? -32.392 -22.501 -29.351 1.00 14.18 ? 103 ASN   B O   1 
ATOM   847  C CB  . ASN   A 1 97  ? -34.549 -23.454 -27.704 1.00 14.47 ? 103 ASN   B CB  1 
ATOM   848  C CG  . ASN   A 1 97  ? -35.832 -24.237 -27.659 1.00 17.12 ? 103 ASN   B CG  1 
ATOM   849  O OD1 . ASN   A 1 97  ? -35.926 -25.309 -28.279 1.00 19.09 ? 103 ASN   B OD1 1 
ATOM   850  N ND2 . ASN   A 1 97  ? -36.790 -23.773 -26.871 1.00 18.21 ? 103 ASN   B ND2 1 
ATOM   851  N N   . GLY   A 1 98  ? -30.962 -23.535 -27.981 1.00 11.37 ? 104 GLY   B N   1 
ATOM   852  C CA  . GLY   A 1 98  ? -29.795 -22.742 -28.393 1.00 10.99 ? 104 GLY   B CA  1 
ATOM   853  C C   . GLY   A 1 98  ? -29.550 -21.482 -27.581 1.00 10.30 ? 104 GLY   B C   1 
ATOM   854  O O   . GLY   A 1 98  ? -28.880 -20.579 -28.071 1.00 10.95 ? 104 GLY   B O   1 
ATOM   855  N N   . PHE   A 1 99  ? -30.014 -21.441 -26.319 1.00 11.01 ? 105 PHE   B N   1 
ATOM   856  C CA  . PHE   A 1 99  ? -29.831 -20.248 -25.451 1.00 10.24 ? 105 PHE   B CA  1 
ATOM   857  C C   . PHE   A 1 99  ? -29.151 -20.606 -24.135 1.00 9.62  ? 105 PHE   B C   1 
ATOM   858  O O   . PHE   A 1 99  ? -29.583 -21.598 -23.503 1.00 11.06 ? 105 PHE   B O   1 
ATOM   859  C CB  . PHE   A 1 99  ? -31.171 -19.592 -25.087 1.00 10.79 ? 105 PHE   B CB  1 
ATOM   860  C CG  . PHE   A 1 99  ? -31.950 -19.082 -26.276 1.00 9.95  ? 105 PHE   B CG  1 
ATOM   861  C CD1 . PHE   A 1 99  ? -32.856 -19.910 -26.921 1.00 10.47 ? 105 PHE   B CD1 1 
ATOM   862  C CD2 . PHE   A 1 99  ? -31.823 -17.777 -26.705 1.00 10.60 ? 105 PHE   B CD2 1 
ATOM   863  C CE1 . PHE   A 1 99  ? -33.554 -19.453 -28.021 1.00 11.62 ? 105 PHE   B CE1 1 
ATOM   864  C CE2 . PHE   A 1 99  ? -32.563 -17.316 -27.771 1.00 11.86 ? 105 PHE   B CE2 1 
ATOM   865  C CZ  . PHE   A 1 99  ? -33.445 -18.146 -28.397 1.00 10.88 ? 105 PHE   B CZ  1 
ATOM   866  N N   . TRP   A 1 100 ? -28.218 -19.770 -23.693 1.00 9.11  ? 106 TRP   B N   1 
ATOM   867  C CA  . TRP   A 1 100 ? -27.511 -19.868 -22.385 1.00 8.84  ? 106 TRP   B CA  1 
ATOM   868  C C   . TRP   A 1 100 ? -27.669 -18.529 -21.693 1.00 8.42  ? 106 TRP   B C   1 
ATOM   869  O O   . TRP   A 1 100 ? -26.942 -17.562 -22.021 1.00 9.09  ? 106 TRP   B O   1 
ATOM   870  C CB  . TRP   A 1 100 ? -26.045 -20.312 -22.554 1.00 9.24  ? 106 TRP   B CB  1 
ATOM   871  C CG  . TRP   A 1 100 ? -25.962 -21.695 -23.149 1.00 9.47  ? 106 TRP   B CG  1 
ATOM   872  C CD1 . TRP   A 1 100 ? -25.865 -22.901 -22.502 1.00 11.06 ? 106 TRP   B CD1 1 
ATOM   873  C CD2 . TRP   A 1 100 ? -25.983 -22.007 -24.565 1.00 9.91  ? 106 TRP   B CD2 1 
ATOM   874  N NE1 . TRP   A 1 100 ? -25.896 -23.924 -23.433 1.00 10.88 ? 106 TRP   B NE1 1 
ATOM   875  C CE2 . TRP   A 1 100 ? -25.947 -23.397 -24.693 1.00 11.09 ? 106 TRP   B CE2 1 
ATOM   876  C CE3 . TRP   A 1 100 ? -26.026 -21.210 -25.707 1.00 9.91  ? 106 TRP   B CE3 1 
ATOM   877  C CZ2 . TRP   A 1 100 ? -26.004 -24.013 -25.960 1.00 12.12 ? 106 TRP   B CZ2 1 
ATOM   878  C CZ3 . TRP   A 1 100 ? -26.054 -21.820 -26.945 1.00 12.42 ? 106 TRP   B CZ3 1 
ATOM   879  C CH2 . TRP   A 1 100 ? -26.061 -23.189 -27.056 1.00 11.34 ? 106 TRP   B CH2 1 
ATOM   880  N N   . THR   A 1 101 ? -28.687 -18.438 -20.813 1.00 9.40  ? 107 THR   B N   1 
ATOM   881  C CA  . THR   A 1 101 ? -29.204 -17.129 -20.342 1.00 9.10  ? 107 THR   B CA  1 
ATOM   882  C C   . THR   A 1 101 ? -29.541 -17.217 -18.838 1.00 9.20  ? 107 THR   B C   1 
ATOM   883  O O   . THR   A 1 101 ? -29.819 -18.286 -18.313 1.00 9.23  ? 107 THR   B O   1 
ATOM   884  C CB  . THR   A 1 101 ? -30.462 -16.701 -21.100 1.00 10.39 ? 107 THR   B CB  1 
ATOM   885  O OG1 . THR   A 1 101 ? -31.504 -17.631 -20.877 1.00 10.68 ? 107 THR   B OG1 1 
ATOM   886  C CG2 . THR   A 1 101 ? -30.186 -16.522 -22.575 1.00 10.61 ? 107 THR   B CG2 1 
ATOM   887  N N   . ILE   A 1 102 ? -29.583 -16.034 -18.235 1.00 9.05  ? 108 ILE   B N   1 
ATOM   888  C CA  . ILE   A 1 102 ? -30.224 -15.806 -16.909 1.00 9.46  ? 108 ILE   B CA  1 
ATOM   889  C C   . ILE   A 1 102 ? -31.231 -14.661 -17.090 1.00 9.87  ? 108 ILE   B C   1 
ATOM   890  O O   . ILE   A 1 102 ? -31.187 -13.908 -18.099 1.00 9.94  ? 108 ILE   B O   1 
ATOM   891  C CB  . ILE   A 1 102 ? -29.208 -15.486 -15.798 1.00 10.49 ? 108 ILE   B CB  1 
ATOM   892  C CG1 . ILE   A 1 102 ? -28.519 -14.139 -15.972 1.00 10.79 ? 108 ILE   B CG1 1 
ATOM   893  C CG2 . ILE   A 1 102 ? -28.183 -16.615 -15.676 1.00 11.49 ? 108 ILE   B CG2 1 
ATOM   894  C CD1 . ILE   A 1 102 ? -27.723 -13.674 -14.778 1.00 11.34 ? 108 ILE   B CD1 1 
ATOM   895  N N   . TRP   A 1 103 ? -32.093 -14.533 -16.107 1.00 9.92  ? 109 TRP   B N   1 
ATOM   896  C CA  . TRP   A 1 103 ? -33.120 -13.473 -16.165 1.00 10.35 ? 109 TRP   B CA  1 
ATOM   897  C C   . TRP   A 1 103 ? -33.559 -13.037 -14.794 1.00 10.11 ? 109 TRP   B C   1 
ATOM   898  O O   . TRP   A 1 103 ? -33.360 -13.720 -13.773 1.00 10.75 ? 109 TRP   B O   1 
ATOM   899  C CB  . TRP   A 1 103 ? -34.290 -13.886 -17.001 1.00 13.04 ? 109 TRP   B CB  1 
ATOM   900  C CG  . TRP   A 1 103 ? -35.089 -15.024 -16.507 1.00 15.15 ? 109 TRP   B CG  1 
ATOM   901  C CD1 . TRP   A 1 103 ? -35.979 -15.024 -15.467 1.00 15.09 ? 109 TRP   B CD1 1 
ATOM   902  C CD2 . TRP   A 1 103 ? -35.185 -16.292 -17.144 1.00 16.54 ? 109 TRP   B CD2 1 
ATOM   903  N NE1 . TRP   A 1 103 ? -36.618 -16.223 -15.417 1.00 18.69 ? 109 TRP   B NE1 1 
ATOM   904  C CE2 . TRP   A 1 103 ? -36.166 -17.016 -16.434 1.00 16.23 ? 109 TRP   B CE2 1 
ATOM   905  C CE3 . TRP   A 1 103 ? -34.567 -16.866 -18.251 1.00 17.19 ? 109 TRP   B CE3 1 
ATOM   906  C CZ2 . TRP   A 1 103 ? -36.514 -18.312 -16.789 1.00 20.00 ? 109 TRP   B CZ2 1 
ATOM   907  C CZ3 . TRP   A 1 103 ? -34.955 -18.130 -18.622 1.00 18.51 ? 109 TRP   B CZ3 1 
ATOM   908  C CH2 . TRP   A 1 103 ? -35.904 -18.836 -17.906 1.00 18.41 ? 109 TRP   B CH2 1 
ATOM   909  N N   . LEU   A 1 104 ? -34.164 -11.831 -14.809 1.00 10.87 ? 110 LEU   B N   1 
ATOM   910  C CA  . LEU   A 1 104 ? -34.941 -11.296 -13.682 1.00 10.73 ? 110 LEU   B CA  1 
ATOM   911  C C   . LEU   A 1 104 ? -36.406 -11.256 -14.098 1.00 9.77  ? 110 LEU   B C   1 
ATOM   912  O O   . LEU   A 1 104 ? -36.710 -10.772 -15.189 1.00 11.01 ? 110 LEU   B O   1 
ATOM   913  C CB  . LEU   A 1 104 ? -34.466 -9.885  -13.381 1.00 10.96 ? 110 LEU   B CB  1 
ATOM   914  C CG  . LEU   A 1 104 ? -35.292 -9.101  -12.347 1.00 11.39 ? 110 LEU   B CG  1 
ATOM   915  C CD1 . LEU   A 1 104 ? -35.335 -9.777  -10.985 1.00 12.68 ? 110 LEU   B CD1 1 
ATOM   916  C CD2 . LEU   A 1 104 ? -34.835 -7.666  -12.255 1.00 12.93 ? 110 LEU   B CD2 1 
ATOM   917  N N   . TRP   A 1 105 ? -37.285 -11.706 -13.208 1.00 11.71 ? 111 TRP   B N   1 
ATOM   918  C CA  . TRP   A 1 105 ? -38.740 -11.673 -13.435 1.00 13.53 ? 111 TRP   B CA  1 
ATOM   919  C C   . TRP   A 1 105 ? -39.438 -11.709 -12.092 1.00 15.41 ? 111 TRP   B C   1 
ATOM   920  O O   . TRP   A 1 105 ? -39.127 -12.606 -11.305 1.00 14.52 ? 111 TRP   B O   1 
ATOM   921  C CB  . TRP   A 1 105 ? -39.104 -12.898 -14.269 1.00 16.48 ? 111 TRP   B CB  1 
ATOM   922  C CG  . TRP   A 1 105 ? -40.559 -13.122 -14.413 1.00 20.65 ? 111 TRP   B CG  1 
ATOM   923  C CD1 . TRP   A 1 105 ? -41.332 -14.107 -13.861 1.00 22.10 ? 111 TRP   B CD1 1 
ATOM   924  C CD2 . TRP   A 1 105 ? -41.415 -12.302 -15.200 1.00 20.57 ? 111 TRP   B CD2 1 
ATOM   925  N NE1 . TRP   A 1 105 ? -42.621 -13.931 -14.255 1.00 22.19 ? 111 TRP   B NE1 1 
ATOM   926  C CE2 . TRP   A 1 105 ? -42.702 -12.851 -15.082 1.00 19.76 ? 111 TRP   B CE2 1 
ATOM   927  C CE3 . TRP   A 1 105 ? -41.216 -11.183 -16.001 1.00 20.82 ? 111 TRP   B CE3 1 
ATOM   928  C CZ2 . TRP   A 1 105 ? -43.797 -12.309 -15.734 1.00 24.95 ? 111 TRP   B CZ2 1 
ATOM   929  C CZ3 . TRP   A 1 105 ? -42.307 -10.599 -16.599 1.00 24.69 ? 111 TRP   B CZ3 1 
ATOM   930  C CH2 . TRP   A 1 105 ? -43.579 -11.158 -16.467 1.00 24.69 ? 111 TRP   B CH2 1 
ATOM   931  N N   . GLN   A 1 106 ? -40.304 -10.710 -11.822 1.00 13.96 ? 112 GLN   B N   1 
ATOM   932  C CA  . GLN   A 1 106 ? -41.116 -10.729 -10.562 1.00 14.29 ? 112 GLN   B CA  1 
ATOM   933  C C   . GLN   A 1 106 ? -40.221 -10.925 -9.360  1.00 15.14 ? 112 GLN   B C   1 
ATOM   934  O O   . GLN   A 1 106 ? -40.583 -11.770 -8.458  1.00 16.53 ? 112 GLN   B O   1 
ATOM   935  C CB  . GLN   A 1 106 ? -42.233 -11.760 -10.694 1.00 15.44 ? 112 GLN   B CB  1 
ATOM   936  C CG  . GLN   A 1 106 ? -43.193 -11.421 -11.827 1.00 16.62 ? 112 GLN   B CG  1 
ATOM   937  C CD  . GLN   A 1 106 ? -44.475 -12.212 -11.903 1.00 18.51 ? 112 GLN   B CD  1 
ATOM   938  O OE1 . GLN   A 1 106 ? -45.414 -11.866 -12.645 1.00 21.70 ? 112 GLN   B OE1 1 
ATOM   939  N NE2 . GLN   A 1 106 ? -44.539 -13.281 -11.143 1.00 17.70 ? 112 GLN   B NE2 1 
ATOM   940  N N   . ASP   A 1 107 ? -39.198 -10.112 -9.239  1.00 15.55 ? 113 ASP   B N   1 
ATOM   941  C CA  . ASP   A 1 107 ? -38.364 -10.041 -8.028  1.00 20.36 ? 113 ASP   B CA  1 
ATOM   942  C C   . ASP   A 1 107 ? -37.589 -11.344 -7.767  1.00 20.10 ? 113 ASP   B C   1 
ATOM   943  O O   . ASP   A 1 107 ? -37.007 -11.445 -6.657  1.00 27.26 ? 113 ASP   B O   1 
ATOM   944  C CB  . ASP   A 1 107 ? -39.296 -9.792  -6.834  1.00 24.94 ? 113 ASP   B CB  1 
ATOM   945  C CG  . ASP   A 1 107 ? -38.679 -9.056  -5.685  1.00 33.77 ? 113 ASP   B CG  1 
ATOM   946  O OD1 . ASP   A 1 107 ? -37.642 -8.378  -5.882  1.00 39.08 ? 113 ASP   B OD1 1 
ATOM   947  O OD2 . ASP   A 1 107 ? -39.294 -9.134  -4.585  1.00 49.84 ? 113 ASP   B OD2 1 
ATOM   948  N N   . SER   A 1 108 ? -37.475 -12.247 -8.733  1.00 16.58 ? 114 SER   B N   1 
ATOM   949  C CA  . SER   A 1 108 ? -36.589 -13.441 -8.606  1.00 18.06 ? 114 SER   B CA  1 
ATOM   950  C C   . SER   A 1 108 ? -35.664 -13.571 -9.823  1.00 15.77 ? 114 SER   B C   1 
ATOM   951  O O   . SER   A 1 108 ? -36.046 -13.232 -10.980 1.00 15.12 ? 114 SER   B O   1 
ATOM   952  C CB  . SER   A 1 108 ? -37.399 -14.658 -8.290  1.00 23.18 ? 114 SER   B CB  1 
ATOM   953  O OG  . SER   A 1 108 ? -37.927 -15.243 -9.438  1.00 32.38 ? 114 SER   B OG  1 
ATOM   954  N N   . TYR   A 1 109 ? -34.470 -14.069 -9.571  1.00 13.25 ? 115 TYR   B N   1 
ATOM   955  C CA  . TYR   A 1 109 ? -33.443 -14.309 -10.623 1.00 12.18 ? 115 TYR   B CA  1 
ATOM   956  C C   . TYR   A 1 109 ? -33.401 -15.802 -10.887 1.00 11.36 ? 115 TYR   B C   1 
ATOM   957  O O   . TYR   A 1 109 ? -33.417 -16.594 -9.928  1.00 12.14 ? 115 TYR   B O   1 
ATOM   958  C CB  . TYR   A 1 109 ? -32.088 -13.780 -10.199 1.00 11.85 ? 115 TYR   B CB  1 
ATOM   959  C CG  . TYR   A 1 109 ? -32.038 -12.280 -9.960  1.00 12.82 ? 115 TYR   B CG  1 
ATOM   960  C CD1 . TYR   A 1 109 ? -32.295 -11.740 -8.714  1.00 13.68 ? 115 TYR   B CD1 1 
ATOM   961  C CD2 . TYR   A 1 109 ? -31.676 -11.409 -10.970 1.00 12.43 ? 115 TYR   B CD2 1 
ATOM   962  C CE1 . TYR   A 1 109 ? -32.190 -10.378 -8.475  1.00 14.40 ? 115 TYR   B CE1 1 
ATOM   963  C CE2 . TYR   A 1 109 ? -31.602 -10.037 -10.755 1.00 12.22 ? 115 TYR   B CE2 1 
ATOM   964  C CZ  . TYR   A 1 109 ? -31.861 -9.525  -9.495  1.00 12.96 ? 115 TYR   B CZ  1 
ATOM   965  O OH  . TYR   A 1 109 ? -31.841 -8.159  -9.263  1.00 14.49 ? 115 TYR   B OH  1 
ATOM   966  N N   A GLU   A 1 110 ? -33.373 -16.201 -12.166 0.25 11.87 ? 116 GLU   B N   1 
ATOM   967  N N   B GLU   A 1 110 ? -33.407 -16.188 -12.172 0.25 11.43 ? 116 GLU   B N   1 
ATOM   968  C CA  A GLU   A 1 110 ? -33.361 -17.635 -12.560 0.25 12.51 ? 116 GLU   B CA  1 
ATOM   969  C CA  B GLU   A 1 110 ? -33.405 -17.605 -12.624 0.25 11.78 ? 116 GLU   B CA  1 
ATOM   970  C C   A GLU   A 1 110 ? -32.451 -17.854 -13.769 0.25 11.09 ? 116 GLU   B C   1 
ATOM   971  C C   B GLU   A 1 110 ? -32.326 -17.795 -13.698 0.25 10.52 ? 116 GLU   B C   1 
ATOM   972  O O   A GLU   A 1 110 ? -32.392 -16.994 -14.661 0.25 11.36 ? 116 GLU   B O   1 
ATOM   973  O O   B GLU   A 1 110 ? -31.961 -16.822 -14.383 0.25 10.09 ? 116 GLU   B O   1 
ATOM   974  C CB  A GLU   A 1 110 ? -34.769 -18.132 -12.862 0.25 14.28 ? 116 GLU   B CB  1 
ATOM   975  C CB  B GLU   A 1 110 ? -34.773 -18.015 -13.167 0.25 13.02 ? 116 GLU   B CB  1 
ATOM   976  C CG  A GLU   A 1 110 ? -35.699 -18.022 -11.661 0.25 16.34 ? 116 GLU   B CG  1 
ATOM   977  C CG  B GLU   A 1 110 ? -35.909 -17.884 -12.153 0.25 14.94 ? 116 GLU   B CG  1 
ATOM   978  C CD  A GLU   A 1 110 ? -37.133 -18.372 -11.992 0.25 18.69 ? 116 GLU   B CD  1 
ATOM   979  C CD  B GLU   A 1 110 ? -36.050 -19.055 -11.185 0.25 16.07 ? 116 GLU   B CD  1 
ATOM   980  O OE1 A GLU   A 1 110 ? -37.577 -18.010 -13.104 0.25 20.26 ? 116 GLU   B OE1 1 
ATOM   981  O OE1 B GLU   A 1 110 ? -35.665 -20.181 -11.542 0.25 20.00 ? 116 GLU   B OE1 1 
ATOM   982  O OE2 A GLU   A 1 110 ? -37.797 -18.999 -11.143 0.25 19.43 ? 116 GLU   B OE2 1 
ATOM   983  O OE2 B GLU   A 1 110 ? -36.592 -18.843 -10.095 0.25 21.39 ? 116 GLU   B OE2 1 
ATOM   984  N N   . ALA   A 1 111 ? -31.799 -19.020 -13.805 1.00 10.67 ? 117 ALA   B N   1 
ATOM   985  C CA  . ALA   A 1 111 ? -31.048 -19.461 -14.988 1.00 10.63 ? 117 ALA   B CA  1 
ATOM   986  C C   . ALA   A 1 111 ? -31.972 -20.221 -15.924 1.00 11.16 ? 117 ALA   B C   1 
ATOM   987  O O   . ALA   A 1 111 ? -32.813 -21.034 -15.497 1.00 11.25 ? 117 ALA   B O   1 
ATOM   988  C CB  . ALA   A 1 111 ? -29.879 -20.336 -14.597 1.00 11.04 ? 117 ALA   B CB  1 
ATOM   989  N N   . GLY   A 1 112 ? -31.809 -19.957 -17.219 1.00 11.21 ? 118 GLY   B N   1 
ATOM   990  C CA  . GLY   A 1 112 ? -32.576 -20.546 -18.321 1.00 11.44 ? 118 GLY   B CA  1 
ATOM   991  C C   . GLY   A 1 112 ? -32.211 -21.979 -18.617 1.00 12.20 ? 118 GLY   B C   1 
ATOM   992  O O   . GLY   A 1 112 ? -31.922 -22.306 -19.741 1.00 13.95 ? 118 GLY   B O   1 
ATOM   993  N N   . THR   A 1 113 ? -32.219 -22.842 -17.632 1.00 13.82 ? 119 THR   B N   1 
ATOM   994  C CA  . THR   A 1 113 ? -32.217 -24.299 -17.829 1.00 15.36 ? 119 THR   B CA  1 
ATOM   995  C C   . THR   A 1 113 ? -33.641 -24.783 -18.098 1.00 15.25 ? 119 THR   B C   1 
ATOM   996  O O   . THR   A 1 113 ? -34.576 -24.005 -17.906 1.00 17.25 ? 119 THR   B O   1 
ATOM   997  C CB  . THR   A 1 113 ? -31.580 -24.904 -16.593 1.00 12.84 ? 119 THR   B CB  1 
ATOM   998  O OG1 . THR   A 1 113 ? -32.294 -24.457 -15.426 1.00 13.20 ? 119 THR   B OG1 1 
ATOM   999  C CG2 . THR   A 1 113 ? -30.128 -24.590 -16.407 1.00 14.60 ? 119 THR   B CG2 1 
ATOM   1000 N N   . SER   A 1 114 ? -33.825 -26.068 -18.415 1.00 18.64 ? 120 SER   B N   1 
ATOM   1001 C CA  . SER   A 1 114 ? -35.170 -26.650 -18.586 1.00 21.11 ? 120 SER   B CA  1 
ATOM   1002 C C   . SER   A 1 114 ? -35.343 -27.829 -17.629 1.00 23.20 ? 120 SER   B C   1 
ATOM   1003 O O   . SER   A 1 114 ? -34.683 -28.853 -17.790 1.00 25.13 ? 120 SER   B O   1 
ATOM   1004 C CB  . SER   A 1 114 ? -35.419 -27.086 -20.017 1.00 27.67 ? 120 SER   B CB  1 
ATOM   1005 O OG  . SER   A 1 114 ? -36.796 -27.431 -20.140 1.00 30.01 ? 120 SER   B OG  1 
ATOM   1006 N N   . PRO   A 1 115 ? -36.096 -27.680 -16.519 1.00 21.66 ? 121 PRO   B N   1 
ATOM   1007 C CA  . PRO   A 1 115 ? -36.762 -26.440 -16.155 1.00 21.48 ? 121 PRO   B CA  1 
ATOM   1008 C C   . PRO   A 1 115 ? -35.789 -25.432 -15.527 1.00 17.17 ? 121 PRO   B C   1 
ATOM   1009 O O   . PRO   A 1 115 ? -34.644 -25.752 -15.246 1.00 16.41 ? 121 PRO   B O   1 
ATOM   1010 C CB  . PRO   A 1 115 ? -37.767 -26.882 -15.100 1.00 24.33 ? 121 PRO   B CB  1 
ATOM   1011 C CG  . PRO   A 1 115 ? -37.075 -28.032 -14.411 1.00 24.08 ? 121 PRO   B CG  1 
ATOM   1012 C CD  . PRO   A 1 115 ? -36.269 -28.734 -15.490 1.00 23.84 ? 121 PRO   B CD  1 
ATOM   1013 N N   . GLN   A 1 116 ? -36.267 -24.219 -15.337 1.00 17.54 ? 122 GLN   B N   1 
ATOM   1014 C CA  . GLN   A 1 116 ? -35.430 -23.097 -14.859 1.00 15.80 ? 122 GLN   B CA  1 
ATOM   1015 C C   . GLN   A 1 116 ? -34.887 -23.367 -13.443 1.00 13.96 ? 122 GLN   B C   1 
ATOM   1016 O O   . GLN   A 1 116 ? -35.535 -24.067 -12.641 1.00 15.73 ? 122 GLN   B O   1 
ATOM   1017 C CB  . GLN   A 1 116 ? -36.144 -21.748 -14.911 1.00 20.77 ? 122 GLN   B CB  1 
ATOM   1018 C CG  . GLN   A 1 116 ? -37.245 -21.576 -13.902 1.00 27.83 ? 122 GLN   B CG  1 
ATOM   1019 C CD  . GLN   A 1 116 ? -38.528 -21.758 -14.661 1.00 38.57 ? 122 GLN   B CD  1 
ATOM   1020 O OE1 . GLN   A 1 116 ? -38.890 -22.866 -15.076 1.00 45.91 ? 122 GLN   B OE1 1 
ATOM   1021 N NE2 . GLN   A 1 116 ? -39.158 -20.635 -14.933 1.00 45.79 ? 122 GLN   B NE2 1 
ATOM   1022 N N   . THR   A 1 117 ? -33.749 -22.771 -13.141 1.00 12.67 ? 123 THR   B N   1 
ATOM   1023 C CA  . THR   A 1 117 ? -33.042 -22.953 -11.860 1.00 11.34 ? 123 THR   B CA  1 
ATOM   1024 C C   . THR   A 1 117 ? -33.064 -21.649 -11.082 1.00 11.30 ? 123 THR   B C   1 
ATOM   1025 O O   . THR   A 1 117 ? -32.593 -20.610 -11.583 1.00 12.50 ? 123 THR   B O   1 
ATOM   1026 C CB  . THR   A 1 117 ? -31.604 -23.433 -12.137 1.00 11.16 ? 123 THR   B CB  1 
ATOM   1027 O OG1 . THR   A 1 117 ? -31.646 -24.669 -12.841 1.00 12.57 ? 123 THR   B OG1 1 
ATOM   1028 C CG2 . THR   A 1 117 ? -30.832 -23.606 -10.855 1.00 12.33 ? 123 THR   B CG2 1 
ATOM   1029 N N   . THR   A 1 118 ? -33.462 -21.707 -9.813  1.00 12.20 ? 124 THR   B N   1 
ATOM   1030 C CA  . THR   A 1 118 ? -33.413 -20.565 -8.888  1.00 13.27 ? 124 THR   B CA  1 
ATOM   1031 C C   . THR   A 1 118 ? -31.993 -20.083 -8.640  1.00 12.55 ? 124 THR   B C   1 
ATOM   1032 O O   . THR   A 1 118 ? -31.084 -20.942 -8.377  1.00 14.58 ? 124 THR   B O   1 
ATOM   1033 C CB  . THR   A 1 118 ? -34.015 -21.027 -7.547  1.00 16.54 ? 124 THR   B CB  1 
ATOM   1034 O OG1 . THR   A 1 118 ? -35.374 -21.360 -7.803  1.00 19.15 ? 124 THR   B OG1 1 
ATOM   1035 C CG2 . THR   A 1 118 ? -33.862 -19.988 -6.464  1.00 20.20 ? 124 THR   B CG2 1 
ATOM   1036 N N   . LEU   A 1 119 ? -31.728 -18.783 -8.752  1.00 11.85 ? 125 LEU   B N   1 
ATOM   1037 C CA  . LEU   A 1 119 ? -30.428 -18.172 -8.428  1.00 11.01 ? 125 LEU   B CA  1 
ATOM   1038 C C   . LEU   A 1 119 ? -30.512 -17.577 -7.018  1.00 13.61 ? 125 LEU   B C   1 
ATOM   1039 O O   . LEU   A 1 119 ? -31.632 -17.313 -6.515  1.00 17.62 ? 125 LEU   B O   1 
ATOM   1040 C CB  . LEU   A 1 119 ? -30.030 -17.105 -9.462  1.00 11.75 ? 125 LEU   B CB  1 
ATOM   1041 C CG  . LEU   A 1 119 ? -29.929 -17.630 -10.894 1.00 11.35 ? 125 LEU   B CG  1 
ATOM   1042 C CD1 . LEU   A 1 119 ? -29.679 -16.503 -11.884 1.00 12.23 ? 125 LEU   B CD1 1 
ATOM   1043 C CD2 . LEU   A 1 119 ? -28.863 -18.717 -11.018 1.00 11.83 ? 125 LEU   B CD2 1 
ATOM   1044 N N   . HIS   A 1 120 ? -29.383 -17.486 -6.369  1.00 13.13 ? 126 HIS   B N   1 
ATOM   1045 C CA  . HIS   A 1 120 ? -29.263 -17.004 -4.967  1.00 13.46 ? 126 HIS   B CA  1 
ATOM   1046 C C   . HIS   A 1 120 ? -28.432 -15.731 -5.003  1.00 14.51 ? 126 HIS   B C   1 
ATOM   1047 O O   . HIS   A 1 120 ? -27.186 -15.805 -5.054  1.00 19.89 ? 126 HIS   B O   1 
ATOM   1048 C CB  . HIS   A 1 120 ? -28.596 -18.119 -4.138  1.00 14.74 ? 126 HIS   B CB  1 
ATOM   1049 C CG  . HIS   A 1 120 ? -29.370 -19.397 -4.083  1.00 16.63 ? 126 HIS   B CG  1 
ATOM   1050 N ND1 . HIS   A 1 120 ? -29.077 -20.488 -4.910  1.00 19.46 ? 126 HIS   B ND1 1 
ATOM   1051 C CD2 . HIS   A 1 120 ? -30.437 -19.766 -3.358  1.00 19.55 ? 126 HIS   B CD2 1 
ATOM   1052 C CE1 . HIS   A 1 120 ? -29.949 -21.454 -4.670  1.00 20.40 ? 126 HIS   B CE1 1 
ATOM   1053 N NE2 . HIS   A 1 120 ? -30.768 -21.060 -3.696  1.00 18.66 ? 126 HIS   B NE2 1 
ATOM   1054 N N   . ILE   A 1 121 ? -29.070 -14.589 -5.089  1.00 16.97 ? 127 ILE   B N   1 
ATOM   1055 C CA  . ILE   A 1 121 ? -28.380 -13.277 -5.207  1.00 19.40 ? 127 ILE   B CA  1 
ATOM   1056 C C   . ILE   A 1 121 ? -28.773 -12.424 -3.972  1.00 19.60 ? 127 ILE   B C   1 
ATOM   1057 O O   . ILE   A 1 121 ? -29.966 -12.166 -3.765  1.00 26.99 ? 127 ILE   B O   1 
ATOM   1058 C CB  . ILE   A 1 121 ? -28.712 -12.620 -6.570  1.00 21.20 ? 127 ILE   B CB  1 
ATOM   1059 C CG1 . ILE   A 1 121 ? -28.295 -13.517 -7.752  1.00 19.88 ? 127 ILE   B CG1 1 
ATOM   1060 C CG2 . ILE   A 1 121 ? -28.044 -11.252 -6.623  1.00 25.74 ? 127 ILE   B CG2 1 
ATOM   1061 C CD1 . ILE   A 1 121 ? -28.539 -12.931 -9.130  1.00 21.83 ? 127 ILE   B CD1 1 
ATOM   1062 N N   . GLN   A 1 122 ? -27.815 -12.131 -3.121  1.00 23.50 ? 128 GLN   B N   1 
ATOM   1063 C CA  . GLN   A 1 122 ? -28.056 -11.303 -1.899  1.00 25.16 ? 128 GLN   B CA  1 
ATOM   1064 C C   . GLN   A 1 122 ? -28.021 -9.805  -2.258  1.00 22.75 ? 128 GLN   B C   1 
ATOM   1065 O O   . GLN   A 1 122 ? -28.809 -9.033  -1.657  1.00 23.43 ? 128 GLN   B O   1 
ATOM   1066 C CB  . GLN   A 1 122 ? -26.997 -11.656 -0.842  1.00 29.76 ? 128 GLN   B CB  1 
ATOM   1067 C CG  . GLN   A 1 122 ? -27.178 -10.940 0.497   1.00 39.76 ? 128 GLN   B CG  1 
ATOM   1068 C CD  . GLN   A 1 122 ? -28.502 -11.232 1.176   1.00 43.14 ? 128 GLN   B CD  1 
ATOM   1069 O OE1 . GLN   A 1 122 ? -29.134 -12.264 0.953   1.00 52.48 ? 128 GLN   B OE1 1 
ATOM   1070 N NE2 . GLN   A 1 122 ? -28.953 -10.299 2.003   1.00 48.40 ? 128 GLN   B NE2 1 
ATOM   1071 N N   . VAL   A 1 123 ? -27.210 -9.416  -3.242  1.00 19.40 ? 129 VAL   B N   1 
ATOM   1072 C CA  . VAL   A 1 123 ? -27.045 -7.979  -3.650  1.00 17.65 ? 129 VAL   B CA  1 
ATOM   1073 C C   . VAL   A 1 123 ? -27.598 -7.802  -5.062  1.00 18.22 ? 129 VAL   B C   1 
ATOM   1074 O O   . VAL   A 1 123 ? -26.958 -8.286  -5.998  1.00 16.82 ? 129 VAL   B O   1 
ATOM   1075 C CB  . VAL   A 1 123 ? -25.576 -7.565  -3.599  1.00 19.90 ? 129 VAL   B CB  1 
ATOM   1076 C CG1 . VAL   A 1 123 ? -25.337 -6.135  -4.111  1.00 20.53 ? 129 VAL   B CG1 1 
ATOM   1077 C CG2 . VAL   A 1 123 ? -25.032 -7.702  -2.180  1.00 22.80 ? 129 VAL   B CG2 1 
ATOM   1078 N N   . PRO   A 1 124 ? -28.819 -7.253  -5.265  1.00 16.91 ? 130 PRO   B N   1 
ATOM   1079 C CA  . PRO   A 1 124 ? -29.394 -7.150  -6.609  1.00 17.08 ? 130 PRO   B CA  1 
ATOM   1080 C C   . PRO   A 1 124 ? -28.395 -6.452  -7.512  1.00 16.05 ? 130 PRO   B C   1 
ATOM   1081 O O   . PRO   A 1 124 ? -27.889 -5.384  -7.226  1.00 15.83 ? 130 PRO   B O   1 
ATOM   1082 C CB  . PRO   A 1 124 ? -30.681 -6.318  -6.366  1.00 20.98 ? 130 PRO   B CB  1 
ATOM   1083 C CG  . PRO   A 1 124 ? -31.081 -6.731  -4.936  1.00 21.20 ? 130 PRO   B CG  1 
ATOM   1084 C CD  . PRO   A 1 124 ? -29.768 -6.784  -4.226  1.00 20.80 ? 130 PRO   B CD  1 
ATOM   1085 N N   . PRO   A 1 125 ? -28.011 -7.057  -8.651  1.00 14.38 ? 131 PRO   B N   1 
ATOM   1086 C CA  . PRO   A 1 125 ? -27.009 -6.479  -9.523  1.00 14.87 ? 131 PRO   B CA  1 
ATOM   1087 C C   . PRO   A 1 125 ? -27.509 -5.272  -10.314 1.00 13.83 ? 131 PRO   B C   1 
ATOM   1088 O O   . PRO   A 1 125 ? -28.634 -5.315  -10.815 1.00 14.73 ? 131 PRO   B O   1 
ATOM   1089 C CB  . PRO   A 1 125 ? -26.598 -7.641  -10.437 1.00 15.89 ? 131 PRO   B CB  1 
ATOM   1090 C CG  . PRO   A 1 125 ? -27.702 -8.597  -10.366 1.00 16.81 ? 131 PRO   B CG  1 
ATOM   1091 C CD  . PRO   A 1 125 ? -28.356 -8.436  -9.029  1.00 15.13 ? 131 PRO   B CD  1 
ATOM   1092 N N   . CYS   A 1 126 ? -26.652 -4.278  -10.415 1.00 13.92 ? 132 CYS   B N   1 
ATOM   1093 C CA  . CYS   A 1 126 ? -26.862 -3.168  -11.384 1.00 15.09 ? 132 CYS   B CA  1 
ATOM   1094 C C   . CYS   A 1 126 ? -26.058 -3.416  -12.671 1.00 13.33 ? 132 CYS   B C   1 
ATOM   1095 O O   . CYS   A 1 126 ? -26.367 -2.842  -13.708 1.00 12.91 ? 132 CYS   B O   1 
ATOM   1096 C CB  . CYS   A 1 126 ? -26.496 -1.811  -10.835 1.00 16.74 ? 132 CYS   B CB  1 
ATOM   1097 S SG  . CYS   A 1 126 ? -27.504 -1.365  -9.393  1.00 23.55 ? 132 CYS   B SG  1 
ATOM   1098 N N   A GLN   A 1 127 ? -24.987 -4.226  -12.626 0.25 13.52 ? 133 GLN   B N   1 
ATOM   1099 N N   B GLN   A 1 127 ? -25.069 -4.309  -12.595 0.25 13.80 ? 133 GLN   B N   1 
ATOM   1100 C CA  A GLN   A 1 127 ? -24.228 -4.625  -13.850 0.25 13.95 ? 133 GLN   B CA  1 
ATOM   1101 C CA  B GLN   A 1 127 ? -24.244 -4.676  -13.767 0.25 14.66 ? 133 GLN   B CA  1 
ATOM   1102 C C   A GLN   A 1 127 ? -23.851 -6.108  -13.745 0.25 13.17 ? 133 GLN   B C   1 
ATOM   1103 C C   B GLN   A 1 127 ? -23.986 -6.186  -13.704 0.25 13.57 ? 133 GLN   B C   1 
ATOM   1104 O O   A GLN   A 1 127 ? -23.406 -6.537  -12.645 0.25 11.85 ? 133 GLN   B O   1 
ATOM   1105 O O   B GLN   A 1 127 ? -23.854 -6.752  -12.590 0.25 12.00 ? 133 GLN   B O   1 
ATOM   1106 C CB  A GLN   A 1 127 ? -22.929 -3.846  -14.095 0.25 15.41 ? 133 GLN   B CB  1 
ATOM   1107 C CB  B GLN   A 1 127 ? -22.958 -3.850  -13.818 0.25 16.90 ? 133 GLN   B CB  1 
ATOM   1108 C CG  A GLN   A 1 127 ? -23.091 -2.364  -14.378 0.25 16.55 ? 133 GLN   B CG  1 
ATOM   1109 C CG  B GLN   A 1 127 ? -23.187 -2.349  -13.797 0.25 18.63 ? 133 GLN   B CG  1 
ATOM   1110 C CD  A GLN   A 1 127 ? -23.071 -1.588  -13.087 0.25 18.27 ? 133 GLN   B CD  1 
ATOM   1111 C CD  B GLN   A 1 127 ? -21.964 -1.565  -14.203 0.25 20.08 ? 133 GLN   B CD  1 
ATOM   1112 O OE1 A GLN   A 1 127 ? -22.364 -1.944  -12.142 0.25 18.15 ? 133 GLN   B OE1 1 
ATOM   1113 O OE1 B GLN   A 1 127 ? -20.849 -2.083  -14.260 0.25 23.19 ? 133 GLN   B OE1 1 
ATOM   1114 N NE2 A GLN   A 1 127 ? -23.867 -0.531  -13.035 0.25 18.25 ? 133 GLN   B NE2 1 
ATOM   1115 N NE2 B GLN   A 1 127 ? -22.172 -0.298  -14.501 0.25 22.37 ? 133 GLN   B NE2 1 
ATOM   1116 N N   . ILE   A 1 128 ? -23.999 -6.818  -14.872 1.00 12.64 ? 134 ILE   B N   1 
ATOM   1117 C CA  . ILE   A 1 128 ? -23.798 -8.284  -15.015 1.00 11.96 ? 134 ILE   B CA  1 
ATOM   1118 C C   . ILE   A 1 128 ? -22.582 -8.452  -15.917 1.00 12.38 ? 134 ILE   B C   1 
ATOM   1119 O O   . ILE   A 1 128 ? -22.522 -7.838  -17.014 1.00 11.91 ? 134 ILE   B O   1 
ATOM   1120 C CB  . ILE   A 1 128 ? -25.046 -8.925  -15.629 1.00 12.80 ? 134 ILE   B CB  1 
ATOM   1121 C CG1 . ILE   A 1 128 ? -26.343 -8.751  -14.818 1.00 15.48 ? 134 ILE   B CG1 1 
ATOM   1122 C CG2 . ILE   A 1 128 ? -24.761 -10.404 -15.886 1.00 13.19 ? 134 ILE   B CG2 1 
ATOM   1123 C CD1 . ILE   A 1 128 ? -26.337 -9.524  -13.577 1.00 14.77 ? 134 ILE   B CD1 1 
ATOM   1124 N N   . GLY   A 1 129 ? -21.639 -9.318  -15.527 1.00 12.10 ? 135 GLY   B N   1 
ATOM   1125 C CA  . GLY   A 1 129 ? -20.539 -9.741  -16.388 1.00 11.82 ? 135 GLY   B CA  1 
ATOM   1126 C C   . GLY   A 1 129 ? -20.826 -11.106 -16.979 1.00 11.76 ? 135 GLY   B C   1 
ATOM   1127 O O   . GLY   A 1 129 ? -21.362 -11.965 -16.301 1.00 11.87 ? 135 GLY   B O   1 
ATOM   1128 N N   . ILE   A 1 130 ? -20.601 -11.259 -18.295 1.00 11.40 ? 136 ILE   B N   1 
ATOM   1129 C CA  . ILE   A 1 130 ? -20.835 -12.533 -19.020 1.00 11.78 ? 136 ILE   B CA  1 
ATOM   1130 C C   . ILE   A 1 130 ? -19.507 -13.013 -19.605 1.00 11.73 ? 136 ILE   B C   1 
ATOM   1131 O O   . ILE   A 1 130 ? -18.828 -12.263 -20.307 1.00 12.20 ? 136 ILE   B O   1 
ATOM   1132 C CB  . ILE   A 1 130 ? -21.876 -12.302 -20.124 1.00 12.72 ? 136 ILE   B CB  1 
ATOM   1133 C CG1 . ILE   A 1 130 ? -23.191 -11.810 -19.523 1.00 14.04 ? 136 ILE   B CG1 1 
ATOM   1134 C CG2 . ILE   A 1 130 ? -22.067 -13.563 -20.966 1.00 13.82 ? 136 ILE   B CG2 1 
ATOM   1135 C CD1 . ILE   A 1 130 ? -24.214 -11.412 -20.495 1.00 17.37 ? 136 ILE   B CD1 1 
ATOM   1136 N N   . PHE   A 1 131 ? -19.172 -14.235 -19.295 1.00 11.38 ? 137 PHE   B N   1 
ATOM   1137 C CA  . PHE   A 1 131 ? -17.910 -14.878 -19.731 1.00 11.24 ? 137 PHE   B CA  1 
ATOM   1138 C C   . PHE   A 1 131 ? -18.260 -16.111 -20.540 1.00 11.00 ? 137 PHE   B C   1 
ATOM   1139 O O   . PHE   A 1 131 ? -19.027 -16.966 -20.080 1.00 11.70 ? 137 PHE   B O   1 
ATOM   1140 C CB  . PHE   A 1 131 ? -17.049 -15.297 -18.549 1.00 12.48 ? 137 PHE   B CB  1 
ATOM   1141 C CG  . PHE   A 1 131 ? -15.788 -16.050 -18.916 1.00 13.09 ? 137 PHE   B CG  1 
ATOM   1142 C CD1 . PHE   A 1 131 ? -14.783 -15.411 -19.612 1.00 15.06 ? 137 PHE   B CD1 1 
ATOM   1143 C CD2 . PHE   A 1 131 ? -15.614 -17.374 -18.544 1.00 15.42 ? 137 PHE   B CD2 1 
ATOM   1144 C CE1 . PHE   A 1 131 ? -13.604 -16.086 -19.917 1.00 18.15 ? 137 PHE   B CE1 1 
ATOM   1145 C CE2 . PHE   A 1 131 ? -14.462 -18.061 -18.898 1.00 16.91 ? 137 PHE   B CE2 1 
ATOM   1146 C CZ  . PHE   A 1 131 ? -13.462 -17.406 -19.563 1.00 15.57 ? 137 PHE   B CZ  1 
ATOM   1147 N N   . VAL   A 1 132 ? -17.695 -16.220 -21.744 1.00 11.37 ? 138 VAL   B N   1 
ATOM   1148 C CA  . VAL   A 1 132 ? -17.843 -17.425 -22.610 1.00 11.95 ? 138 VAL   B CA  1 
ATOM   1149 C C   . VAL   A 1 132 ? -16.457 -18.013 -22.908 1.00 11.16 ? 138 VAL   B C   1 
ATOM   1150 O O   . VAL   A 1 132 ? -15.567 -17.307 -23.362 1.00 12.73 ? 138 VAL   B O   1 
ATOM   1151 C CB  . VAL   A 1 132 ? -18.589 -17.110 -23.910 1.00 12.11 ? 138 VAL   B CB  1 
ATOM   1152 C CG1 . VAL   A 1 132 ? -18.749 -18.380 -24.758 1.00 13.76 ? 138 VAL   B CG1 1 
ATOM   1153 C CG2 . VAL   A 1 132 ? -19.946 -16.474 -23.602 1.00 13.38 ? 138 VAL   B CG2 1 
ATOM   1154 N N   . ASP   A 1 133 ? -16.305 -19.281 -22.592 1.00 11.37 ? 139 ASP   B N   1 
ATOM   1155 C CA  . ASP   A 1 133 ? -15.122 -20.068 -23.045 1.00 13.40 ? 139 ASP   B CA  1 
ATOM   1156 C C   . ASP   A 1 133 ? -15.643 -21.080 -24.063 1.00 11.32 ? 139 ASP   B C   1 
ATOM   1157 O O   . ASP   A 1 133 ? -16.267 -22.100 -23.696 1.00 12.07 ? 139 ASP   B O   1 
ATOM   1158 C CB  . ASP   A 1 133 ? -14.392 -20.684 -21.873 1.00 12.75 ? 139 ASP   B CB  1 
ATOM   1159 C CG  . ASP   A 1 133 ? -13.107 -21.417 -22.261 1.00 16.05 ? 139 ASP   B CG  1 
ATOM   1160 O OD1 . ASP   A 1 133 ? -12.985 -21.846 -23.451 1.00 16.61 ? 139 ASP   B OD1 1 
ATOM   1161 O OD2 . ASP   A 1 133 ? -12.293 -21.575 -21.321 1.00 20.20 ? 139 ASP   B OD2 1 
ATOM   1162 N N   . TYR   A 1 134 ? -15.399 -20.801 -25.352 1.00 12.78 ? 140 TYR   B N   1 
ATOM   1163 C CA  . TYR   A 1 134 ? -15.971 -21.628 -26.435 1.00 12.13 ? 140 TYR   B CA  1 
ATOM   1164 C C   . TYR   A 1 134 ? -15.451 -23.070 -26.348 1.00 13.80 ? 140 TYR   B C   1 
ATOM   1165 O O   . TYR   A 1 134 ? -16.207 -24.013 -26.334 1.00 15.43 ? 140 TYR   B O   1 
ATOM   1166 C CB  . TYR   A 1 134 ? -15.697 -20.996 -27.801 1.00 12.73 ? 140 TYR   B CB  1 
ATOM   1167 C CG  . TYR   A 1 134 ? -16.633 -21.588 -28.831 1.00 13.05 ? 140 TYR   B CG  1 
ATOM   1168 C CD1 . TYR   A 1 134 ? -16.448 -22.868 -29.347 1.00 13.35 ? 140 TYR   B CD1 1 
ATOM   1169 C CD2 . TYR   A 1 134 ? -17.779 -20.920 -29.231 1.00 13.07 ? 140 TYR   B CD2 1 
ATOM   1170 C CE1 . TYR   A 1 134 ? -17.342 -23.451 -30.229 1.00 13.81 ? 140 TYR   B CE1 1 
ATOM   1171 C CE2 . TYR   A 1 134 ? -18.676 -21.486 -30.131 1.00 12.60 ? 140 TYR   B CE2 1 
ATOM   1172 C CZ  . TYR   A 1 134 ? -18.469 -22.760 -30.654 1.00 12.19 ? 140 TYR   B CZ  1 
ATOM   1173 O OH  . TYR   A 1 134 ? -19.361 -23.357 -31.504 1.00 13.06 ? 140 TYR   B OH  1 
ATOM   1174 N N   . GLU   A 1 135 ? -14.149 -23.202 -26.250 1.00 15.20 ? 141 GLU   B N   1 
ATOM   1175 C CA  . GLU   A 1 135 ? -13.517 -24.541 -26.269 1.00 16.28 ? 141 GLU   B CA  1 
ATOM   1176 C C   . GLU   A 1 135 ? -13.924 -25.356 -25.061 1.00 15.34 ? 141 GLU   B C   1 
ATOM   1177 O O   . GLU   A 1 135 ? -14.227 -26.550 -25.219 1.00 17.84 ? 141 GLU   B O   1 
ATOM   1178 C CB  . GLU   A 1 135 ? -11.998 -24.425 -26.367 1.00 17.73 ? 141 GLU   B CB  1 
ATOM   1179 C CG  . GLU   A 1 135 ? -11.562 -24.258 -27.818 1.00 25.03 ? 141 GLU   B CG  1 
ATOM   1180 C CD  . GLU   A 1 135 ? -11.924 -22.926 -28.384 1.00 27.19 ? 141 GLU   B CD  1 
ATOM   1181 O OE1 . GLU   A 1 135 ? -12.202 -22.877 -29.549 1.00 24.18 ? 141 GLU   B OE1 1 
ATOM   1182 O OE2 . GLU   A 1 135 ? -11.958 -21.926 -27.607 1.00 29.81 ? 141 GLU   B OE2 1 
ATOM   1183 N N   . ALA   A 1 136 ? -14.001 -24.753 -23.881 1.00 14.21 ? 142 ALA   B N   1 
ATOM   1184 C CA  . ALA   A 1 136 ? -14.350 -25.446 -22.638 1.00 15.53 ? 142 ALA   B CA  1 
ATOM   1185 C C   . ALA   A 1 136 ? -15.849 -25.743 -22.576 1.00 15.18 ? 142 ALA   B C   1 
ATOM   1186 O O   . ALA   A 1 136 ? -16.249 -26.631 -21.797 1.00 17.82 ? 142 ALA   B O   1 
ATOM   1187 C CB  . ALA   A 1 136 ? -13.896 -24.613 -21.465 1.00 16.57 ? 142 ALA   B CB  1 
ATOM   1188 N N   . GLY   A 1 137 ? -16.687 -25.077 -23.361 1.00 12.94 ? 143 GLY   B N   1 
ATOM   1189 C CA  . GLY   A 1 137 ? -18.131 -25.241 -23.249 1.00 11.66 ? 143 GLY   B CA  1 
ATOM   1190 C C   . GLY   A 1 137 ? -18.696 -24.605 -21.967 1.00 11.27 ? 143 GLY   B C   1 
ATOM   1191 O O   . GLY   A 1 137 ? -19.483 -25.291 -21.290 1.00 12.28 ? 143 GLY   B O   1 
ATOM   1192 N N   . VAL   A 1 138 ? -18.293 -23.375 -21.670 1.00 11.50 ? 144 VAL   B N   1 
ATOM   1193 C CA  . VAL   A 1 138 ? -18.668 -22.676 -20.403 1.00 11.80 ? 144 VAL   B CA  1 
ATOM   1194 C C   . VAL   A 1 138 ? -19.289 -21.325 -20.738 1.00 11.32 ? 144 VAL   B C   1 
ATOM   1195 O O   . VAL   A 1 138 ? -18.718 -20.536 -21.523 1.00 11.83 ? 144 VAL   B O   1 
ATOM   1196 C CB  . VAL   A 1 138 ? -17.438 -22.498 -19.509 1.00 13.08 ? 144 VAL   B CB  1 
ATOM   1197 C CG1 . VAL   A 1 138 ? -17.724 -21.562 -18.323 1.00 13.16 ? 144 VAL   B CG1 1 
ATOM   1198 C CG2 . VAL   A 1 138 ? -16.959 -23.871 -19.052 1.00 14.21 ? 144 VAL   B CG2 1 
ATOM   1199 N N   . VAL   A 1 139 ? -20.401 -21.026 -20.065 1.00 10.77 ? 145 VAL   B N   1 
ATOM   1200 C CA  . VAL   A 1 139 ? -20.956 -19.643 -19.995 1.00 10.00 ? 145 VAL   B CA  1 
ATOM   1201 C C   . VAL   A 1 139 ? -21.148 -19.298 -18.512 1.00 9.62  ? 145 VAL   B C   1 
ATOM   1202 O O   . VAL   A 1 139 ? -21.926 -20.023 -17.849 1.00 11.33 ? 145 VAL   B O   1 
ATOM   1203 C CB  . VAL   A 1 139 ? -22.286 -19.527 -20.764 1.00 10.28 ? 145 VAL   B CB  1 
ATOM   1204 C CG1 . VAL   A 1 139 ? -22.748 -18.066 -20.741 1.00 11.02 ? 145 VAL   B CG1 1 
ATOM   1205 C CG2 . VAL   A 1 139 ? -22.153 -20.065 -22.179 1.00 11.01 ? 145 VAL   B CG2 1 
ATOM   1206 N N   . SER   A 1 140 ? -20.510 -18.245 -18.028 1.00 9.68  ? 146 SER   B N   1 
ATOM   1207 C CA  . SER   A 1 140 ? -20.624 -17.843 -16.618 1.00 10.41 ? 146 SER   B CA  1 
ATOM   1208 C C   . SER   A 1 140 ? -21.088 -16.392 -16.508 1.00 10.33 ? 146 SER   B C   1 
ATOM   1209 O O   . SER   A 1 140 ? -20.794 -15.553 -17.361 1.00 11.29 ? 146 SER   B O   1 
ATOM   1210 C CB  . SER   A 1 140 ? -19.297 -18.004 -15.901 1.00 10.92 ? 146 SER   B CB  1 
ATOM   1211 O OG  . SER   A 1 140 ? -18.930 -19.387 -15.810 1.00 12.25 ? 146 SER   B OG  1 
ATOM   1212 N N   . PHE   A 1 141 ? -21.779 -16.124 -15.414 1.00 9.50  ? 147 PHE   B N   1 
ATOM   1213 C CA  . PHE   A 1 141 ? -22.414 -14.829 -15.127 1.00 9.74  ? 147 PHE   B CA  1 
ATOM   1214 C C   . PHE   A 1 141 ? -21.883 -14.359 -13.775 1.00 10.53 ? 147 PHE   B C   1 
ATOM   1215 O O   . PHE   A 1 141 ? -21.895 -15.145 -12.772 1.00 10.80 ? 147 PHE   B O   1 
ATOM   1216 C CB  . PHE   A 1 141 ? -23.958 -14.932 -15.103 1.00 9.82  ? 147 PHE   B CB  1 
ATOM   1217 C CG  . PHE   A 1 141 ? -24.549 -15.338 -16.424 1.00 9.38  ? 147 PHE   B CG  1 
ATOM   1218 C CD1 . PHE   A 1 141 ? -24.598 -16.681 -16.805 1.00 9.71  ? 147 PHE   B CD1 1 
ATOM   1219 C CD2 . PHE   A 1 141 ? -25.042 -14.366 -17.295 1.00 10.01 ? 147 PHE   B CD2 1 
ATOM   1220 C CE1 . PHE   A 1 141 ? -25.096 -17.030 -18.057 1.00 10.28 ? 147 PHE   B CE1 1 
ATOM   1221 C CE2 . PHE   A 1 141 ? -25.525 -14.732 -18.556 1.00 9.41  ? 147 PHE   B CE2 1 
ATOM   1222 C CZ  . PHE   A 1 141 ? -25.591 -16.066 -18.906 1.00 9.23  ? 147 PHE   B CZ  1 
ATOM   1223 N N   . TYR   A 1 142 ? -21.568 -13.067 -13.693 1.00 10.39 ? 148 TYR   B N   1 
ATOM   1224 C CA  . TYR   A 1 142 ? -20.929 -12.449 -12.503 1.00 12.12 ? 148 TYR   B CA  1 
ATOM   1225 C C   . TYR   A 1 142 ? -21.706 -11.204 -12.090 1.00 12.82 ? 148 TYR   B C   1 
ATOM   1226 O O   . TYR   A 1 142 ? -22.161 -10.425 -12.887 1.00 12.35 ? 148 TYR   B O   1 
ATOM   1227 C CB  . TYR   A 1 142 ? -19.447 -12.165 -12.759 1.00 12.35 ? 148 TYR   B CB  1 
ATOM   1228 C CG  . TYR   A 1 142 ? -18.641 -13.410 -13.045 1.00 13.05 ? 148 TYR   B CG  1 
ATOM   1229 C CD1 . TYR   A 1 142 ? -18.139 -14.188 -12.026 1.00 13.47 ? 148 TYR   B CD1 1 
ATOM   1230 C CD2 . TYR   A 1 142 ? -18.441 -13.858 -14.339 1.00 13.77 ? 148 TYR   B CD2 1 
ATOM   1231 C CE1 . TYR   A 1 142 ? -17.451 -15.366 -12.275 1.00 13.99 ? 148 TYR   B CE1 1 
ATOM   1232 C CE2 . TYR   A 1 142 ? -17.745 -15.030 -14.618 1.00 13.97 ? 148 TYR   B CE2 1 
ATOM   1233 C CZ  . TYR   A 1 142 ? -17.215 -15.771 -13.578 1.00 14.33 ? 148 TYR   B CZ  1 
ATOM   1234 O OH  . TYR   A 1 142 ? -16.566 -16.963 -13.823 1.00 16.53 ? 148 TYR   B OH  1 
ATOM   1235 N N   . ASN   A 1 143 ? -21.770 -10.978 -10.772 1.00 13.44 ? 149 ASN   B N   1 
ATOM   1236 C CA  . ASN   A 1 143 ? -22.460 -9.810  -10.142 1.00 13.01 ? 149 ASN   B CA  1 
ATOM   1237 C C   . ASN   A 1 143 ? -21.425 -8.702  -9.974  1.00 13.21 ? 149 ASN   B C   1 
ATOM   1238 O O   . ASN   A 1 143 ? -20.651 -8.725  -8.975  1.00 14.86 ? 149 ASN   B O   1 
ATOM   1239 C CB  . ASN   A 1 143 ? -23.090 -10.257 -8.827  1.00 13.05 ? 149 ASN   B CB  1 
ATOM   1240 C CG  . ASN   A 1 143 ? -23.920 -9.163  -8.165  1.00 13.35 ? 149 ASN   B CG  1 
ATOM   1241 O OD1 . ASN   A 1 143 ? -23.759 -7.997  -8.524  1.00 15.18 ? 149 ASN   B OD1 1 
ATOM   1242 N ND2 . ASN   A 1 143 ? -24.800 -9.541  -7.295  1.00 14.95 ? 149 ASN   B ND2 1 
ATOM   1243 N N   . ILE   A 1 144 ? -21.347 -7.735  -10.873 1.00 14.51 ? 150 ILE   B N   1 
ATOM   1244 C CA  . ILE   A 1 144 ? -20.276 -6.710  -10.827 1.00 15.52 ? 150 ILE   B CA  1 
ATOM   1245 C C   . ILE   A 1 144 ? -20.535 -5.835  -9.583  1.00 17.65 ? 150 ILE   B C   1 
ATOM   1246 O O   . ILE   A 1 144 ? -19.543 -5.340  -8.999  1.00 18.81 ? 150 ILE   B O   1 
ATOM   1247 C CB  . ILE   A 1 144 ? -20.249 -5.908  -12.135 1.00 16.77 ? 150 ILE   B CB  1 
ATOM   1248 C CG1 . ILE   A 1 144 ? -20.051 -6.797  -13.375 1.00 17.62 ? 150 ILE   B CG1 1 
ATOM   1249 C CG2 . ILE   A 1 144 ? -19.221 -4.776  -12.095 1.00 17.92 ? 150 ILE   B CG2 1 
ATOM   1250 C CD1 . ILE   A 1 144 ? -18.970 -7.818  -13.229 1.00 22.88 ? 150 ILE   B CD1 1 
ATOM   1251 N N   . THR   A 1 145 ? -21.789 -5.617  -9.208  1.00 16.41 ? 151 THR   B N   1 
ATOM   1252 C CA  . THR   A 1 145 ? -22.165 -4.757  -8.031  1.00 16.86 ? 151 THR   B CA  1 
ATOM   1253 C C   . THR   A 1 145 ? -21.625 -5.384  -6.749  1.00 20.08 ? 151 THR   B C   1 
ATOM   1254 O O   . THR   A 1 145 ? -21.220 -4.609  -5.851  1.00 23.71 ? 151 THR   B O   1 
ATOM   1255 C CB  . THR   A 1 145 ? -23.694 -4.631  -7.951  1.00 15.81 ? 151 THR   B CB  1 
ATOM   1256 O OG1 . THR   A 1 145 ? -24.127 -4.180  -9.226  1.00 16.64 ? 151 THR   B OG1 1 
ATOM   1257 C CG2 . THR   A 1 145 ? -24.111 -3.647  -6.877  1.00 19.45 ? 151 THR   B CG2 1 
ATOM   1258 N N   . ASP   A 1 146 ? -21.519 -6.712  -6.685  1.00 19.62 ? 152 ASP   B N   1 
ATOM   1259 C CA  . ASP   A 1 146 ? -21.025 -7.471  -5.491  1.00 19.41 ? 152 ASP   B CA  1 
ATOM   1260 C C   . ASP   A 1 146 ? -19.613 -8.013  -5.750  1.00 20.04 ? 152 ASP   B C   1 
ATOM   1261 O O   . ASP   A 1 146 ? -19.433 -9.220  -5.599  1.00 20.89 ? 152 ASP   B O   1 
ATOM   1262 C CB  . ASP   A 1 146 ? -22.057 -8.498  -5.086  1.00 18.44 ? 152 ASP   B CB  1 
ATOM   1263 C CG  . ASP   A 1 146 ? -21.689 -9.302  -3.858  1.00 24.74 ? 152 ASP   B CG  1 
ATOM   1264 O OD1 . ASP   A 1 146 ? -21.221 -8.675  -2.891  1.00 24.06 ? 152 ASP   B OD1 1 
ATOM   1265 O OD2 . ASP   A 1 146 ? -21.833 -10.545 -3.915  1.00 22.77 ? 152 ASP   B OD2 1 
ATOM   1266 N N   . HIS   A 1 147 ? -18.669 -7.160  -6.132  1.00 21.26 ? 153 HIS   B N   1 
ATOM   1267 C CA  . HIS   A 1 147 ? -17.219 -7.490  -6.242  1.00 24.61 ? 153 HIS   B CA  1 
ATOM   1268 C C   . HIS   A 1 147 ? -17.060 -8.694  -7.175  1.00 24.45 ? 153 HIS   B C   1 
ATOM   1269 O O   . HIS   A 1 147 ? -16.169 -9.524  -6.970  1.00 24.54 ? 153 HIS   B O   1 
ATOM   1270 C CB  . HIS   A 1 147 ? -16.581 -7.857  -4.884  1.00 30.50 ? 153 HIS   B CB  1 
ATOM   1271 C CG  . HIS   A 1 147 ? -16.879 -6.966  -3.718  1.00 36.20 ? 153 HIS   B CG  1 
ATOM   1272 N ND1 . HIS   A 1 147 ? -16.266 -5.738  -3.547  1.00 42.95 ? 153 HIS   B ND1 1 
ATOM   1273 C CD2 . HIS   A 1 147 ? -17.684 -7.151  -2.643  1.00 41.17 ? 153 HIS   B CD2 1 
ATOM   1274 C CE1 . HIS   A 1 147 ? -16.708 -5.180  -2.431  1.00 44.88 ? 153 HIS   B CE1 1 
ATOM   1275 N NE2 . HIS   A 1 147 ? -17.569 -6.036  -1.849  1.00 43.47 ? 153 HIS   B NE2 1 
ATOM   1276 N N   . GLY   A 1 148 ? -17.932 -8.841  -8.166  1.00 19.36 ? 154 GLY   B N   1 
ATOM   1277 C CA  . GLY   A 1 148 ? -17.653 -9.860  -9.194  1.00 16.41 ? 154 GLY   B CA  1 
ATOM   1278 C C   . GLY   A 1 148 ? -18.085 -11.251 -8.786  1.00 15.16 ? 154 GLY   B C   1 
ATOM   1279 O O   . GLY   A 1 148 ? -17.583 -12.192 -9.384  1.00 15.63 ? 154 GLY   B O   1 
ATOM   1280 N N   . SER   A 1 149 ? -18.931 -11.394 -7.787  1.00 14.94 ? 155 SER   B N   1 
ATOM   1281 C CA  . SER   A 1 149 ? -19.297 -12.727 -7.259  1.00 13.47 ? 155 SER   B CA  1 
ATOM   1282 C C   . SER   A 1 149 ? -19.978 -13.575 -8.333  1.00 14.33 ? 155 SER   B C   1 
ATOM   1283 O O   . SER   A 1 149 ? -20.771 -13.057 -9.159  1.00 13.88 ? 155 SER   B O   1 
ATOM   1284 C CB  . SER   A 1 149 ? -20.141 -12.630 -6.029  1.00 14.56 ? 155 SER   B CB  1 
ATOM   1285 O OG  . SER   A 1 149 ? -21.343 -11.878 -6.177  1.00 15.83 ? 155 SER   B OG  1 
ATOM   1286 N N   . LEU   A 1 150 ? -19.765 -14.871 -8.315  1.00 13.34 ? 156 LEU   B N   1 
ATOM   1287 C CA  . LEU   A 1 150 ? -20.406 -15.773 -9.299  1.00 12.47 ? 156 LEU   B CA  1 
ATOM   1288 C C   . LEU   A 1 150 ? -21.905 -15.828 -9.075  1.00 11.68 ? 156 LEU   B C   1 
ATOM   1289 O O   . LEU   A 1 150 ? -22.400 -16.056 -7.942  1.00 12.42 ? 156 LEU   B O   1 
ATOM   1290 C CB  . LEU   A 1 150 ? -19.808 -17.179 -9.193  1.00 12.64 ? 156 LEU   B CB  1 
ATOM   1291 C CG  . LEU   A 1 150 ? -20.359 -18.240 -10.141 1.00 12.53 ? 156 LEU   B CG  1 
ATOM   1292 C CD1 . LEU   A 1 150 ? -20.000 -17.968 -11.594 1.00 13.07 ? 156 LEU   B CD1 1 
ATOM   1293 C CD2 . LEU   A 1 150 ? -19.789 -19.631 -9.714  1.00 12.99 ? 156 LEU   B CD2 1 
ATOM   1294 N N   . ILE   A 1 151 ? -22.657 -15.705 -10.162 1.00 10.64 ? 157 ILE   B N   1 
ATOM   1295 C CA  . ILE   A 1 151 ? -24.111 -15.914 -10.201 1.00 11.22 ? 157 ILE   B CA  1 
ATOM   1296 C C   . ILE   A 1 151 ? -24.433 -17.343 -10.663 1.00 10.54 ? 157 ILE   B C   1 
ATOM   1297 O O   . ILE   A 1 151 ? -25.252 -18.050 -10.066 1.00 10.95 ? 157 ILE   B O   1 
ATOM   1298 C CB  . ILE   A 1 151 ? -24.785 -14.838 -11.069 1.00 11.26 ? 157 ILE   B CB  1 
ATOM   1299 C CG1 . ILE   A 1 151 ? -24.617 -13.448 -10.478 1.00 11.62 ? 157 ILE   B CG1 1 
ATOM   1300 C CG2 . ILE   A 1 151 ? -26.260 -15.172 -11.266 1.00 11.22 ? 157 ILE   B CG2 1 
ATOM   1301 C CD1 . ILE   A 1 151 ? -25.068 -12.337 -11.422 1.00 11.80 ? 157 ILE   B CD1 1 
ATOM   1302 N N   . TYR   A 1 152 ? -23.885 -17.746 -11.822 1.00 10.22 ? 158 TYR   B N   1 
ATOM   1303 C CA  . TYR   A 1 152 ? -24.271 -19.055 -12.400 1.00 9.15  ? 158 TYR   B CA  1 
ATOM   1304 C C   . TYR   A 1 152 ? -23.228 -19.442 -13.454 1.00 9.63  ? 158 TYR   B C   1 
ATOM   1305 O O   . TYR   A 1 152 ? -22.748 -18.563 -14.183 1.00 10.10 ? 158 TYR   B O   1 
ATOM   1306 C CB  . TYR   A 1 152 ? -25.648 -19.004 -13.116 1.00 10.11 ? 158 TYR   B CB  1 
ATOM   1307 C CG  . TYR   A 1 152 ? -26.183 -20.348 -13.479 1.00 10.09 ? 158 TYR   B CG  1 
ATOM   1308 C CD1 . TYR   A 1 152 ? -26.810 -21.149 -12.526 1.00 10.81 ? 158 TYR   B CD1 1 
ATOM   1309 C CD2 . TYR   A 1 152 ? -26.039 -20.860 -14.766 1.00 9.88  ? 158 TYR   B CD2 1 
ATOM   1310 C CE1 . TYR   A 1 152 ? -27.224 -22.432 -12.835 1.00 11.29 ? 158 TYR   B CE1 1 
ATOM   1311 C CE2 . TYR   A 1 152 ? -26.481 -22.135 -15.078 1.00 10.95 ? 158 TYR   B CE2 1 
ATOM   1312 C CZ  . TYR   A 1 152 ? -27.063 -22.919 -14.118 1.00 11.16 ? 158 TYR   B CZ  1 
ATOM   1313 O OH  . TYR   A 1 152 ? -27.460 -24.197 -14.380 1.00 13.07 ? 158 TYR   B OH  1 
ATOM   1314 N N   . THR   A 1 153 ? -22.956 -20.750 -13.548 1.00 9.76  ? 159 THR   B N   1 
ATOM   1315 C CA  . THR   A 1 153 ? -22.118 -21.370 -14.602 1.00 10.36 ? 159 THR   B CA  1 
ATOM   1316 C C   . THR   A 1 153 ? -22.894 -22.476 -15.286 1.00 10.21 ? 159 THR   B C   1 
ATOM   1317 O O   . THR   A 1 153 ? -23.259 -23.479 -14.671 1.00 11.24 ? 159 THR   B O   1 
ATOM   1318 C CB  . THR   A 1 153 ? -20.793 -21.904 -14.040 1.00 11.13 ? 159 THR   B CB  1 
ATOM   1319 O OG1 . THR   A 1 153 ? -20.010 -20.790 -13.642 1.00 11.71 ? 159 THR   B OG1 1 
ATOM   1320 C CG2 . THR   A 1 153 ? -20.031 -22.713 -15.065 1.00 12.53 ? 159 THR   B CG2 1 
ATOM   1321 N N   . PHE   A 1 154 ? -23.095 -22.318 -16.606 1.00 10.73 ? 160 PHE   B N   1 
ATOM   1322 C CA  . PHE   A 1 154 ? -23.488 -23.415 -17.512 1.00 10.45 ? 160 PHE   B CA  1 
ATOM   1323 C C   . PHE   A 1 154 ? -22.181 -24.094 -17.973 1.00 11.39 ? 160 PHE   B C   1 
ATOM   1324 O O   . PHE   A 1 154 ? -21.308 -23.431 -18.534 1.00 10.91 ? 160 PHE   B O   1 
ATOM   1325 C CB  . PHE   A 1 154 ? -24.158 -22.907 -18.782 1.00 11.16 ? 160 PHE   B CB  1 
ATOM   1326 C CG  . PHE   A 1 154 ? -25.531 -22.296 -18.625 1.00 9.16  ? 160 PHE   B CG  1 
ATOM   1327 C CD1 . PHE   A 1 154 ? -25.679 -20.937 -18.368 1.00 9.06  ? 160 PHE   B CD1 1 
ATOM   1328 C CD2 . PHE   A 1 154 ? -26.657 -23.052 -18.836 1.00 9.58  ? 160 PHE   B CD2 1 
ATOM   1329 C CE1 . PHE   A 1 154 ? -26.948 -20.381 -18.306 1.00 9.42  ? 160 PHE   B CE1 1 
ATOM   1330 C CE2 . PHE   A 1 154 ? -27.924 -22.492 -18.738 1.00 9.80  ? 160 PHE   B CE2 1 
ATOM   1331 C CZ  . PHE   A 1 154 ? -28.048 -21.148 -18.490 1.00 9.69  ? 160 PHE   B CZ  1 
ATOM   1332 N N   . SER   A 1 155 ? -22.076 -25.385 -17.670 1.00 12.67 ? 161 SER   B N   1 
ATOM   1333 C CA  . SER   A 1 155 ? -20.922 -26.160 -18.144 1.00 14.31 ? 161 SER   B CA  1 
ATOM   1334 C C   . SER   A 1 155 ? -21.415 -27.326 -18.994 1.00 13.84 ? 161 SER   B C   1 
ATOM   1335 O O   . SER   A 1 155 ? -22.620 -27.575 -19.116 1.00 15.16 ? 161 SER   B O   1 
ATOM   1336 C CB  . SER   A 1 155 ? -20.093 -26.575 -16.950 1.00 16.43 ? 161 SER   B CB  1 
ATOM   1337 O OG  . SER   A 1 155 ? -20.785 -27.537 -16.204 1.00 18.66 ? 161 SER   B OG  1 
ATOM   1338 N N   . GLU   A 1 156 ? -20.446 -27.952 -19.687 1.00 16.03 ? 162 GLU   B N   1 
ATOM   1339 C CA  . GLU   A 1 156 ? -20.749 -29.019 -20.691 1.00 18.44 ? 162 GLU   B CA  1 
ATOM   1340 C C   . GLU   A 1 156 ? -21.711 -28.471 -21.750 1.00 16.19 ? 162 GLU   B C   1 
ATOM   1341 O O   . GLU   A 1 156 ? -22.644 -29.190 -22.201 1.00 17.09 ? 162 GLU   B O   1 
ATOM   1342 C CB  . GLU   A 1 156 ? -21.368 -30.249 -20.034 1.00 21.54 ? 162 GLU   B CB  1 
ATOM   1343 C CG  . GLU   A 1 156 ? -20.674 -30.720 -18.765 1.00 27.16 ? 162 GLU   B CG  1 
ATOM   1344 C CD  . GLU   A 1 156 ? -21.254 -32.039 -18.288 1.00 38.96 ? 162 GLU   B CD  1 
ATOM   1345 O OE1 . GLU   A 1 156 ? -22.424 -32.051 -17.811 1.00 42.28 ? 162 GLU   B OE1 1 
ATOM   1346 O OE2 . GLU   A 1 156 ? -20.559 -33.061 -18.454 1.00 51.51 ? 162 GLU   B OE2 1 
ATOM   1347 N N   . CYS   A 1 157 ? -21.509 -27.211 -22.140 1.00 14.07 ? 163 CYS   B N   1 
ATOM   1348 C CA  . CYS   A 1 157 ? -22.398 -26.579 -23.131 1.00 13.05 ? 163 CYS   B CA  1 
ATOM   1349 C C   . CYS   A 1 157 ? -22.161 -27.213 -24.516 1.00 14.63 ? 163 CYS   B C   1 
ATOM   1350 O O   . CYS   A 1 157 ? -20.958 -27.392 -24.883 1.00 16.11 ? 163 CYS   B O   1 
ATOM   1351 C CB  . CYS   A 1 157 ? -22.214 -25.066 -23.267 1.00 12.18 ? 163 CYS   B CB  1 
ATOM   1352 S SG  . CYS   A 1 157 ? -22.649 -24.160 -21.749 1.00 13.17 ? 163 CYS   B SG  1 
ATOM   1353 N N   . VAL   A 1 158 ? -23.228 -27.465 -25.248 1.00 14.09 ? 164 VAL   B N   1 
ATOM   1354 C CA  . VAL   A 1 158 ? -23.094 -27.970 -26.634 1.00 14.70 ? 164 VAL   B CA  1 
ATOM   1355 C C   . VAL   A 1 158 ? -23.533 -26.819 -27.533 1.00 13.31 ? 164 VAL   B C   1 
ATOM   1356 O O   . VAL   A 1 158 ? -24.719 -26.701 -27.910 1.00 15.82 ? 164 VAL   B O   1 
ATOM   1357 C CB  . VAL   A 1 158 ? -23.838 -29.314 -26.785 1.00 17.51 ? 164 VAL   B CB  1 
ATOM   1358 C CG1 . VAL   A 1 158 ? -23.720 -29.780 -28.239 1.00 18.40 ? 164 VAL   B CG1 1 
ATOM   1359 C CG2 . VAL   A 1 158 ? -23.273 -30.360 -25.824 1.00 19.13 ? 164 VAL   B CG2 1 
ATOM   1360 N N   . PHE   A 1 159 ? -22.630 -25.901 -27.853 1.00 12.67 ? 165 PHE   B N   1 
ATOM   1361 C CA  . PHE   A 1 159 ? -22.947 -24.665 -28.604 1.00 13.36 ? 165 PHE   B CA  1 
ATOM   1362 C C   . PHE   A 1 159 ? -23.508 -25.021 -29.984 1.00 15.41 ? 165 PHE   B C   1 
ATOM   1363 O O   . PHE   A 1 159 ? -24.532 -24.446 -30.416 1.00 14.90 ? 165 PHE   B O   1 
ATOM   1364 C CB  . PHE   A 1 159 ? -21.773 -23.694 -28.615 1.00 13.08 ? 165 PHE   B CB  1 
ATOM   1365 C CG  . PHE   A 1 159 ? -21.363 -23.205 -27.248 1.00 11.82 ? 165 PHE   B CG  1 
ATOM   1366 C CD1 . PHE   A 1 159 ? -22.320 -22.715 -26.360 1.00 11.71 ? 165 PHE   B CD1 1 
ATOM   1367 C CD2 . PHE   A 1 159 ? -20.032 -23.214 -26.860 1.00 13.47 ? 165 PHE   B CD2 1 
ATOM   1368 C CE1 . PHE   A 1 159 ? -21.912 -22.236 -25.120 1.00 11.57 ? 165 PHE   B CE1 1 
ATOM   1369 C CE2 . PHE   A 1 159 ? -19.642 -22.744 -25.619 1.00 13.41 ? 165 PHE   B CE2 1 
ATOM   1370 C CZ  . PHE   A 1 159 ? -20.583 -22.241 -24.770 1.00 12.03 ? 165 PHE   B CZ  1 
ATOM   1371 N N   . ALA   A 1 160 ? -22.831 -25.921 -30.696 1.00 13.47 ? 166 ALA   B N   1 
ATOM   1372 C CA  . ALA   A 1 160 ? -23.310 -26.480 -31.985 1.00 13.63 ? 166 ALA   B CA  1 
ATOM   1373 C C   . ALA   A 1 160 ? -23.398 -25.412 -33.078 1.00 13.41 ? 166 ALA   B C   1 
ATOM   1374 O O   . ALA   A 1 160 ? -24.196 -25.615 -34.040 1.00 14.95 ? 166 ALA   B O   1 
ATOM   1375 C CB  . ALA   A 1 160 ? -24.587 -27.229 -31.810 1.00 13.70 ? 166 ALA   B CB  1 
ATOM   1376 N N   . GLY   A 1 161 ? -22.623 -24.349 -32.998 1.00 14.17 ? 167 GLY   B N   1 
ATOM   1377 C CA  . GLY   A 1 161 ? -22.559 -23.287 -34.011 1.00 14.39 ? 167 GLY   B CA  1 
ATOM   1378 C C   . GLY   A 1 161 ? -21.952 -22.017 -33.473 1.00 13.06 ? 167 GLY   B C   1 
ATOM   1379 O O   . GLY   A 1 161 ? -21.570 -21.960 -32.283 1.00 13.65 ? 167 GLY   B O   1 
ATOM   1380 N N   . PRO   A 1 162 ? -21.860 -20.977 -34.293 1.00 12.24 ? 168 PRO   B N   1 
ATOM   1381 C CA  . PRO   A 1 162 ? -21.400 -19.666 -33.862 1.00 11.86 ? 168 PRO   B CA  1 
ATOM   1382 C C   . PRO   A 1 162 ? -22.362 -19.144 -32.781 1.00 12.16 ? 168 PRO   B C   1 
ATOM   1383 O O   . PRO   A 1 162 ? -23.569 -19.394 -32.833 1.00 12.48 ? 168 PRO   B O   1 
ATOM   1384 C CB  . PRO   A 1 162 ? -21.410 -18.778 -35.095 1.00 13.01 ? 168 PRO   B CB  1 
ATOM   1385 C CG  . PRO   A 1 162 ? -21.491 -19.776 -36.245 1.00 13.03 ? 168 PRO   B CG  1 
ATOM   1386 C CD  . PRO   A 1 162 ? -22.224 -20.972 -35.718 1.00 11.58 ? 168 PRO   B CD  1 
ATOM   1387 N N   . LEU   A 1 163 ? -21.793 -18.375 -31.866 1.00 12.08 ? 169 LEU   B N   1 
ATOM   1388 C CA  . LEU   A 1 163 ? -22.565 -17.742 -30.760 1.00 11.31 ? 169 LEU   B CA  1 
ATOM   1389 C C   . LEU   A 1 163 ? -22.674 -16.243 -30.989 1.00 12.15 ? 169 LEU   B C   1 
ATOM   1390 O O   . LEU   A 1 163 ? -21.728 -15.610 -31.462 1.00 13.42 ? 169 LEU   B O   1 
ATOM   1391 C CB  . LEU   A 1 163 ? -21.885 -18.006 -29.409 1.00 11.84 ? 169 LEU   B CB  1 
ATOM   1392 C CG  . LEU   A 1 163 ? -21.903 -19.436 -28.867 1.00 12.10 ? 169 LEU   B CG  1 
ATOM   1393 C CD1 . LEU   A 1 163 ? -21.100 -19.504 -27.595 1.00 13.17 ? 169 LEU   B CD1 1 
ATOM   1394 C CD2 . LEU   A 1 163 ? -23.335 -19.927 -28.646 1.00 12.79 ? 169 LEU   B CD2 1 
ATOM   1395 N N   . ARG   A 1 164 ? -23.809 -15.672 -30.569 1.00 11.13 ? 170 ARG   B N   1 
ATOM   1396 C CA  . ARG   A 1 164 ? -24.037 -14.222 -30.567 1.00 10.83 ? 170 ARG   B CA  1 
ATOM   1397 C C   . ARG   A 1 164 ? -24.457 -13.762 -29.170 1.00 9.78  ? 170 ARG   B C   1 
ATOM   1398 O O   . ARG   A 1 164 ? -25.222 -14.464 -28.510 1.00 10.78 ? 170 ARG   B O   1 
ATOM   1399 C CB  . ARG   A 1 164 ? -25.117 -13.872 -31.597 1.00 11.95 ? 170 ARG   B CB  1 
ATOM   1400 C CG  . ARG   A 1 164 ? -24.609 -14.200 -33.005 1.00 14.45 ? 170 ARG   B CG  1 
ATOM   1401 C CD  . ARG   A 1 164 ? -25.523 -13.829 -34.131 1.00 15.70 ? 170 ARG   B CD  1 
ATOM   1402 N NE  . ARG   A 1 164 ? -25.587 -12.393 -34.210 1.00 15.54 ? 170 ARG   B NE  1 
ATOM   1403 C CZ  . ARG   A 1 164 ? -26.297 -11.764 -35.124 1.00 15.27 ? 170 ARG   B CZ  1 
ATOM   1404 N NH1 . ARG   A 1 164 ? -26.900 -12.461 -36.058 1.00 16.44 ? 170 ARG   B NH1 1 
ATOM   1405 N NH2 . ARG   A 1 164 ? -26.345 -10.450 -35.135 1.00 15.09 ? 170 ARG   B NH2 1 
ATOM   1406 N N   . PRO   A 1 165 ? -24.018 -12.566 -28.737 1.00 9.79  ? 171 PRO   B N   1 
ATOM   1407 C CA  . PRO   A 1 165 ? -24.556 -11.980 -27.494 1.00 9.92  ? 171 PRO   B CA  1 
ATOM   1408 C C   . PRO   A 1 165 ? -26.077 -11.832 -27.659 1.00 9.29  ? 171 PRO   B C   1 
ATOM   1409 O O   . PRO   A 1 165 ? -26.567 -11.503 -28.728 1.00 9.50  ? 171 PRO   B O   1 
ATOM   1410 C CB  . PRO   A 1 165 ? -23.877 -10.621 -27.395 1.00 10.35 ? 171 PRO   B CB  1 
ATOM   1411 C CG  . PRO   A 1 165 ? -22.584 -10.798 -28.205 1.00 12.12 ? 171 PRO   B CG  1 
ATOM   1412 C CD  . PRO   A 1 165 ? -23.008 -11.686 -29.348 1.00 12.39 ? 171 PRO   B CD  1 
ATOM   1413 N N   . PHE   A 1 166 ? -26.819 -12.118 -26.588 1.00 9.14  ? 172 PHE   B N   1 
ATOM   1414 C CA  . PHE   A 1 166 ? -28.296 -12.132 -26.576 1.00 9.64  ? 172 PHE   B CA  1 
ATOM   1415 C C   . PHE   A 1 166 ? -28.827 -11.205 -25.478 1.00 8.64  ? 172 PHE   B C   1 
ATOM   1416 O O   . PHE   A 1 166 ? -28.332 -11.201 -24.351 1.00 8.94  ? 172 PHE   B O   1 
ATOM   1417 C CB  . PHE   A 1 166 ? -28.777 -13.548 -26.288 1.00 10.11 ? 172 PHE   B CB  1 
ATOM   1418 C CG  . PHE   A 1 166 ? -30.271 -13.652 -26.123 1.00 10.46 ? 172 PHE   B CG  1 
ATOM   1419 C CD1 . PHE   A 1 166 ? -31.110 -13.649 -27.231 1.00 11.06 ? 172 PHE   B CD1 1 
ATOM   1420 C CD2 . PHE   A 1 166 ? -30.835 -13.698 -24.857 1.00 10.82 ? 172 PHE   B CD2 1 
ATOM   1421 C CE1 . PHE   A 1 166 ? -32.491 -13.711 -27.058 1.00 11.25 ? 172 PHE   B CE1 1 
ATOM   1422 C CE2 . PHE   A 1 166 ? -32.212 -13.722 -24.697 1.00 10.49 ? 172 PHE   B CE2 1 
ATOM   1423 C CZ  . PHE   A 1 166 ? -33.029 -13.723 -25.792 1.00 10.96 ? 172 PHE   B CZ  1 
ATOM   1424 N N   . PHE   A 1 167 ? -29.897 -10.452 -25.804 1.00 8.71  ? 173 PHE   B N   1 
ATOM   1425 C CA  . PHE   A 1 167 ? -30.493 -9.438  -24.904 1.00 9.07  ? 173 PHE   B CA  1 
ATOM   1426 C C   . PHE   A 1 167 ? -32.018 -9.513  -25.023 1.00 9.53  ? 173 PHE   B C   1 
ATOM   1427 O O   . PHE   A 1 167 ? -32.533 -9.588  -26.141 1.00 9.88  ? 173 PHE   B O   1 
ATOM   1428 C CB  . PHE   A 1 167 ? -30.057 -8.014  -25.286 1.00 9.64  ? 173 PHE   B CB  1 
ATOM   1429 C CG  . PHE   A 1 167 ? -28.549 -7.863  -25.400 1.00 9.47  ? 173 PHE   B CG  1 
ATOM   1430 C CD1 . PHE   A 1 167 ? -27.906 -8.179  -26.583 1.00 9.39  ? 173 PHE   B CD1 1 
ATOM   1431 C CD2 . PHE   A 1 167 ? -27.778 -7.406  -24.331 1.00 11.10 ? 173 PHE   B CD2 1 
ATOM   1432 C CE1 . PHE   A 1 167 ? -26.520 -8.107  -26.717 1.00 9.94  ? 173 PHE   B CE1 1 
ATOM   1433 C CE2 . PHE   A 1 167 ? -26.404 -7.274  -24.483 1.00 11.01 ? 173 PHE   B CE2 1 
ATOM   1434 C CZ  . PHE   A 1 167 ? -25.791 -7.631  -25.666 1.00 10.90 ? 173 PHE   B CZ  1 
ATOM   1435 N N   . ASN   A 1 168 ? -32.699 -9.321  -23.911 1.00 9.49  ? 174 ASN   B N   1 
ATOM   1436 C CA  . ASN   A 1 168 ? -34.152 -9.077  -23.878 1.00 9.20  ? 174 ASN   B CA  1 
ATOM   1437 C C   . ASN   A 1 168 ? -34.373 -7.938  -22.896 1.00 9.14  ? 174 ASN   B C   1 
ATOM   1438 O O   . ASN   A 1 168 ? -34.076 -8.113  -21.711 1.00 10.11 ? 174 ASN   B O   1 
ATOM   1439 C CB  . ASN   A 1 168 ? -34.936 -10.325 -23.465 1.00 9.40  ? 174 ASN   B CB  1 
ATOM   1440 C CG  . ASN   A 1 168 ? -36.438 -10.152 -23.573 1.00 11.36 ? 174 ASN   B CG  1 
ATOM   1441 O OD1 . ASN   A 1 168 ? -36.943 -9.078  -23.845 1.00 11.80 ? 174 ASN   B OD1 1 
ATOM   1442 N ND2 . ASN   A 1 168 ? -37.152 -11.244 -23.391 1.00 13.11 ? 174 ASN   B ND2 1 
ATOM   1443 N N   . VAL   A 1 169 ? -34.923 -6.814  -23.367 1.00 9.63  ? 175 VAL   B N   1 
ATOM   1444 C CA  . VAL   A 1 169 ? -35.183 -5.649  -22.473 1.00 9.86  ? 175 VAL   B CA  1 
ATOM   1445 C C   . VAL   A 1 169 ? -36.429 -5.887  -21.609 1.00 10.71 ? 175 VAL   B C   1 
ATOM   1446 O O   . VAL   A 1 169 ? -36.703 -5.066  -20.707 1.00 11.17 ? 175 VAL   B O   1 
ATOM   1447 C CB  . VAL   A 1 169 ? -35.268 -4.300  -23.218 1.00 11.04 ? 175 VAL   B CB  1 
ATOM   1448 C CG1 . VAL   A 1 169 ? -33.969 -3.961  -23.898 1.00 11.42 ? 175 VAL   B CG1 1 
ATOM   1449 C CG2 . VAL   A 1 169 ? -36.427 -4.277  -24.202 1.00 11.54 ? 175 VAL   B CG2 1 
ATOM   1450 N N   . GLY   A 1 170 ? -37.240 -6.883  -21.975 1.00 10.71 ? 176 GLY   B N   1 
ATOM   1451 C CA  . GLY   A 1 170 ? -38.539 -7.137  -21.312 1.00 11.03 ? 176 GLY   B CA  1 
ATOM   1452 C C   . GLY   A 1 170 ? -39.637 -6.183  -21.725 1.00 10.68 ? 176 GLY   B C   1 
ATOM   1453 O O   . GLY   A 1 170 ? -39.411 -5.130  -22.313 1.00 10.78 ? 176 GLY   B O   1 
ATOM   1454 N N   . PHE   A 1 171 ? -40.875 -6.634  -21.481 1.00 12.42 ? 177 PHE   B N   1 
ATOM   1455 C CA  . PHE   A 1 171 ? -42.069 -5.775  -21.684 1.00 11.89 ? 177 PHE   B CA  1 
ATOM   1456 C C   . PHE   A 1 171 ? -42.102 -4.695  -20.625 1.00 11.85 ? 177 PHE   B C   1 
ATOM   1457 O O   . PHE   A 1 171 ? -41.416 -4.766  -19.609 1.00 11.41 ? 177 PHE   B O   1 
ATOM   1458 C CB  . PHE   A 1 171 ? -43.363 -6.593  -21.735 1.00 12.38 ? 177 PHE   B CB  1 
ATOM   1459 C CG  . PHE   A 1 171 ? -43.469 -7.515  -22.931 1.00 13.15 ? 177 PHE   B CG  1 
ATOM   1460 C CD1 . PHE   A 1 171 ? -43.836 -7.029  -24.175 1.00 15.65 ? 177 PHE   B CD1 1 
ATOM   1461 C CD2 . PHE   A 1 171 ? -43.192 -8.861  -22.793 1.00 14.63 ? 177 PHE   B CD2 1 
ATOM   1462 C CE1 . PHE   A 1 171 ? -43.882 -7.890  -25.279 1.00 16.14 ? 177 PHE   B CE1 1 
ATOM   1463 C CE2 . PHE   A 1 171 ? -43.273 -9.713  -23.886 1.00 16.30 ? 177 PHE   B CE2 1 
ATOM   1464 C CZ  . PHE   A 1 171 ? -43.662 -9.229  -25.098 1.00 15.52 ? 177 PHE   B CZ  1 
ATOM   1465 N N   . ASN   A 1 172 ? -42.964 -3.720  -20.861 1.00 11.84 ? 178 ASN   B N   1 
ATOM   1466 C CA  . ASN   A 1 172 ? -43.152 -2.626  -19.880 1.00 10.28 ? 178 ASN   B CA  1 
ATOM   1467 C C   . ASN   A 1 172 ? -44.666 -2.449  -19.663 1.00 11.02 ? 178 ASN   B C   1 
ATOM   1468 O O   . ASN   A 1 172 ? -45.190 -1.314  -19.713 1.00 13.05 ? 178 ASN   B O   1 
ATOM   1469 C CB  . ASN   A 1 172 ? -42.499 -1.349  -20.352 1.00 11.52 ? 178 ASN   B CB  1 
ATOM   1470 C CG  . ASN   A 1 172 ? -42.545 -0.250  -19.322 1.00 11.44 ? 178 ASN   B CG  1 
ATOM   1471 O OD1 . ASN   A 1 172 ? -42.551 -0.481  -18.114 1.00 11.55 ? 178 ASN   B OD1 1 
ATOM   1472 N ND2 . ASN   A 1 172 ? -42.497 0.987   -19.805 1.00 13.03 ? 178 ASN   B ND2 1 
ATOM   1473 N N   . TYR   A 1 173 ? -45.345 -3.511  -19.288 1.00 11.61 ? 179 TYR   B N   1 
ATOM   1474 C CA  . TYR   A 1 173 ? -46.789 -3.415  -18.928 1.00 11.18 ? 179 TYR   B CA  1 
ATOM   1475 C C   . TYR   A 1 173 ? -46.961 -2.584  -17.649 1.00 12.70 ? 179 TYR   B C   1 
ATOM   1476 O O   . TYR   A 1 173 ? -48.036 -1.934  -17.448 1.00 13.74 ? 179 TYR   B O   1 
ATOM   1477 C CB  . TYR   A 1 173 ? -47.378 -4.808  -18.697 1.00 12.07 ? 179 TYR   B CB  1 
ATOM   1478 C CG  . TYR   A 1 173 ? -47.435 -5.693  -19.907 1.00 14.31 ? 179 TYR   B CG  1 
ATOM   1479 C CD1 . TYR   A 1 173 ? -48.383 -5.464  -20.885 1.00 18.25 ? 179 TYR   B CD1 1 
ATOM   1480 C CD2 . TYR   A 1 173 ? -46.597 -6.794  -20.029 1.00 16.36 ? 179 TYR   B CD2 1 
ATOM   1481 C CE1 . TYR   A 1 173 ? -48.421 -6.231  -22.047 1.00 19.41 ? 179 TYR   B CE1 1 
ATOM   1482 C CE2 . TYR   A 1 173 ? -46.625 -7.568  -21.192 1.00 17.74 ? 179 TYR   B CE2 1 
ATOM   1483 C CZ  . TYR   A 1 173 ? -47.551 -7.298  -22.173 1.00 19.02 ? 179 TYR   B CZ  1 
ATOM   1484 O OH  . TYR   A 1 173 ? -47.615 -8.099  -23.294 1.00 25.17 ? 179 TYR   B OH  1 
ATOM   1485 N N   . SER   A 1 174 ? -46.016 -2.603  -16.719 1.00 11.61 ? 180 SER   B N   1 
ATOM   1486 C CA  . SER   A 1 174 ? -46.105 -1.999  -15.362 1.00 12.47 ? 180 SER   B CA  1 
ATOM   1487 C C   . SER   A 1 174 ? -45.809 -0.493  -15.405 1.00 12.34 ? 180 SER   B C   1 
ATOM   1488 O O   . SER   A 1 174 ? -46.103 0.198   -14.415 1.00 13.59 ? 180 SER   B O   1 
ATOM   1489 C CB  . SER   A 1 174 ? -45.162 -2.626  -14.383 1.00 12.72 ? 180 SER   B CB  1 
ATOM   1490 O OG  . SER   A 1 174 ? -43.817 -2.392  -14.822 1.00 13.54 ? 180 SER   B OG  1 
ATOM   1491 N N   . GLY   A 1 175 ? -45.116 -0.017  -16.428 1.00 11.77 ? 181 GLY   B N   1 
ATOM   1492 C CA  . GLY   A 1 175 ? -44.576 1.359   -16.413 1.00 12.10 ? 181 GLY   B CA  1 
ATOM   1493 C C   . GLY   A 1 175 ? -43.334 1.477   -15.567 1.00 13.17 ? 181 GLY   B C   1 
ATOM   1494 O O   . GLY   A 1 175 ? -42.827 2.589   -15.444 1.00 16.07 ? 181 GLY   B O   1 
ATOM   1495 N N   . GLY   A 1 176 ? -42.826 0.373   -14.996 1.00 12.45 ? 182 GLY   B N   1 
ATOM   1496 C CA  . GLY   A 1 176 ? -41.613 0.382   -14.175 1.00 12.14 ? 182 GLY   B CA  1 
ATOM   1497 C C   . GLY   A 1 176 ? -40.417 -0.284  -14.867 1.00 12.67 ? 182 GLY   B C   1 
ATOM   1498 O O   . GLY   A 1 176 ? -39.369 -0.387  -14.185 1.00 14.35 ? 182 GLY   B O   1 
ATOM   1499 N N   . ASN   A 1 177 ? -40.536 -0.644  -16.134 1.00 10.53 ? 183 ASN   B N   1 
ATOM   1500 C CA  . ASN   A 1 177 ? -39.431 -1.349  -16.822 1.00 10.61 ? 183 ASN   B CA  1 
ATOM   1501 C C   . ASN   A 1 177 ? -38.990 -0.645  -18.105 1.00 10.82 ? 183 ASN   B C   1 
ATOM   1502 O O   . ASN   A 1 177 ? -38.467 -1.318  -18.998 1.00 11.80 ? 183 ASN   B O   1 
ATOM   1503 C CB  . ASN   A 1 177 ? -39.812 -2.805  -17.098 1.00 10.57 ? 183 ASN   B CB  1 
ATOM   1504 C CG  . ASN   A 1 177 ? -38.613 -3.659  -17.420 1.00 10.96 ? 183 ASN   B CG  1 
ATOM   1505 O OD1 . ASN   A 1 177 ? -37.576 -3.477  -16.813 1.00 11.05 ? 183 ASN   B OD1 1 
ATOM   1506 N ND2 . ASN   A 1 177 ? -38.791 -4.579  -18.357 1.00 10.79 ? 183 ASN   B ND2 1 
ATOM   1507 N N   . ALA   A 1 178 ? -39.077 0.667   -18.191 1.00 11.55 ? 184 ALA   B N   1 
ATOM   1508 C CA  . ALA   A 1 178 ? -38.675 1.406   -19.409 1.00 12.28 ? 184 ALA   B CA  1 
ATOM   1509 C C   . ALA   A 1 178 ? -37.150 1.532   -19.542 1.00 11.89 ? 184 ALA   B C   1 
ATOM   1510 O O   . ALA   A 1 178 ? -36.693 1.843   -20.649 1.00 13.53 ? 184 ALA   B O   1 
ATOM   1511 C CB  . ALA   A 1 178 ? -39.296 2.813   -19.384 1.00 12.70 ? 184 ALA   B CB  1 
ATOM   1512 N N   . ALA   A 1 179 ? -36.406 1.347   -18.453 1.00 11.79 ? 185 ALA   B N   1 
ATOM   1513 C CA  . ALA   A 1 179 ? -34.952 1.642   -18.494 1.00 12.05 ? 185 ALA   B CA  1 
ATOM   1514 C C   . ALA   A 1 179 ? -34.259 0.752   -19.543 1.00 12.49 ? 185 ALA   B C   1 
ATOM   1515 O O   . ALA   A 1 179 ? -34.647 -0.400  -19.780 1.00 11.46 ? 185 ALA   B O   1 
ATOM   1516 C CB  . ALA   A 1 179 ? -34.324 1.452   -17.145 1.00 12.35 ? 185 ALA   B CB  1 
ATOM   1517 N N   . PRO   A 1 180 ? -33.153 1.240   -20.140 1.00 11.68 ? 186 PRO   B N   1 
ATOM   1518 C CA  . PRO   A 1 180 ? -32.420 0.482   -21.157 1.00 11.55 ? 186 PRO   B CA  1 
ATOM   1519 C C   . PRO   A 1 180 ? -31.507 -0.613  -20.560 1.00 10.46 ? 186 PRO   B C   1 
ATOM   1520 O O   . PRO   A 1 180 ? -31.156 -0.566  -19.362 1.00 11.42 ? 186 PRO   B O   1 
ATOM   1521 C CB  . PRO   A 1 180 ? -31.527 1.553   -21.797 1.00 12.60 ? 186 PRO   B CB  1 
ATOM   1522 C CG  . PRO   A 1 180 ? -31.241 2.495   -20.678 1.00 12.85 ? 186 PRO   B CG  1 
ATOM   1523 C CD  . PRO   A 1 180 ? -32.577 2.577   -19.932 1.00 13.47 ? 186 PRO   B CD  1 
ATOM   1524 N N   . LEU   A 1 181 ? -31.115 -1.546  -21.419 1.00 11.11 ? 187 LEU   B N   1 
ATOM   1525 C CA  . LEU   A 1 181 ? -29.875 -2.317  -21.246 1.00 10.84 ? 187 LEU   B CA  1 
ATOM   1526 C C   . LEU   A 1 181 ? -28.751 -1.512  -21.886 1.00 10.77 ? 187 LEU   B C   1 
ATOM   1527 O O   . LEU   A 1 181 ? -28.925 -1.020  -23.031 1.00 12.59 ? 187 LEU   B O   1 
ATOM   1528 C CB  . LEU   A 1 181 ? -30.038 -3.679  -21.895 1.00 10.92 ? 187 LEU   B CB  1 
ATOM   1529 C CG  . LEU   A 1 181 ? -31.058 -4.638  -21.266 1.00 11.69 ? 187 LEU   B CG  1 
ATOM   1530 C CD1 . LEU   A 1 181 ? -31.191 -5.915  -22.092 1.00 12.47 ? 187 LEU   B CD1 1 
ATOM   1531 C CD2 . LEU   A 1 181 ? -30.699 -4.998  -19.837 1.00 13.12 ? 187 LEU   B CD2 1 
ATOM   1532 N N   . LYS   A 1 182 ? -27.610 -1.425  -21.209 1.00 11.41 ? 188 LYS   B N   1 
ATOM   1533 C CA  . LYS   A 1 182 ? -26.447 -0.680  -21.756 1.00 11.84 ? 188 LYS   B CA  1 
ATOM   1534 C C   . LYS   A 1 182 ? -25.206 -1.546  -21.712 1.00 12.43 ? 188 LYS   B C   1 
ATOM   1535 O O   . LYS   A 1 182 ? -24.898 -2.099  -20.627 1.00 13.08 ? 188 LYS   B O   1 
ATOM   1536 C CB  . LYS   A 1 182 ? -26.174 0.615   -20.985 1.00 14.08 ? 188 LYS   B CB  1 
ATOM   1537 C CG  . LYS   A 1 182 ? -27.333 1.558   -20.807 1.00 17.24 ? 188 LYS   B CG  1 
ATOM   1538 C CD  . LYS   A 1 182 ? -26.873 2.889   -20.189 1.00 20.65 ? 188 LYS   B CD  1 
ATOM   1539 C CE  . LYS   A 1 182 ? -27.996 3.790   -19.767 1.00 25.25 ? 188 LYS   B CE  1 
ATOM   1540 N NZ  . LYS   A 1 182 ? -27.440 4.930   -18.988 1.00 31.48 ? 188 LYS   B NZ  1 
ATOM   1541 N N   . LEU   A 1 183 ? -24.463 -1.592  -22.789 1.00 12.72 ? 189 LEU   B N   1 
ATOM   1542 C CA  . LEU   A 1 183 ? -23.126 -2.243  -22.799 1.00 12.63 ? 189 LEU   B CA  1 
ATOM   1543 C C   . LEU   A 1 183 ? -22.120 -1.307  -22.135 1.00 14.54 ? 189 LEU   B C   1 
ATOM   1544 O O   . LEU   A 1 183 ? -21.986 -0.165  -22.621 1.00 17.76 ? 189 LEU   B O   1 
ATOM   1545 C CB  . LEU   A 1 183 ? -22.749 -2.619  -24.226 1.00 13.95 ? 189 LEU   B CB  1 
ATOM   1546 C CG  . LEU   A 1 183 ? -23.503 -3.862  -24.704 1.00 15.05 ? 189 LEU   B CG  1 
ATOM   1547 C CD1 . LEU   A 1 183 ? -23.753 -3.912  -26.193 1.00 20.00 ? 189 LEU   B CD1 1 
ATOM   1548 C CD2 . LEU   A 1 183 ? -22.862 -5.140  -24.141 1.00 12.93 ? 189 LEU   B CD2 1 
ATOM   1549 N N   . CYS   A 1 184 ? -21.520 -1.751  -21.044 1.00 15.77 ? 190 CYS   B N   1 
ATOM   1550 C CA  . CYS   A 1 184 ? -20.617 -0.899  -20.212 1.00 17.48 ? 190 CYS   B CA  1 
ATOM   1551 C C   . CYS   A 1 184 ? -19.252 -0.810  -20.857 1.00 19.10 ? 190 CYS   B C   1 
ATOM   1552 O O   . CYS   A 1 184 ? -18.755 -1.760  -21.442 1.00 19.59 ? 190 CYS   B O   1 
ATOM   1553 C CB  . CYS   A 1 184 ? -20.313 -1.507  -18.859 1.00 19.43 ? 190 CYS   B CB  1 
ATOM   1554 S SG  . CYS   A 1 184 ? -21.746 -2.100  -17.970 1.00 21.28 ? 190 CYS   B SG  1 
ATOM   1555 N N   . PRO   A 1 185 ? -18.574 0.345   -20.720 1.00 23.23 ? 191 PRO   B N   1 
ATOM   1556 C CA  . PRO   A 1 185 ? -17.244 0.499   -21.267 1.00 27.01 ? 191 PRO   B CA  1 
ATOM   1557 C C   . PRO   A 1 185 ? -16.258 -0.417  -20.540 1.00 26.48 ? 191 PRO   B C   1 
ATOM   1558 O O   . PRO   A 1 185 ? -16.465 -0.699  -19.351 1.00 28.93 ? 191 PRO   B O   1 
ATOM   1559 C CB  . PRO   A 1 185 ? -16.964 2.002   -21.050 1.00 28.38 ? 191 PRO   B CB  1 
ATOM   1560 C CG  . PRO   A 1 185 ? -17.847 2.408   -19.911 1.00 28.06 ? 191 PRO   B CG  1 
ATOM   1561 C CD  . PRO   A 1 185 ? -19.080 1.552   -20.052 1.00 26.12 ? 191 PRO   B CD  1 
ATOM   1562 N N   . LEU   A 1 186 ? -15.260 -0.840  -21.313 1.00 32.41 ? 192 LEU   B N   1 
ATOM   1563 C CA  . LEU   A 1 186 ? -14.010 -1.569  -20.955 1.00 36.09 ? 192 LEU   B CA  1 
ATOM   1564 C C   . LEU   A 1 186 ? -13.103 -0.686  -20.096 1.00 41.74 ? 192 LEU   B C   1 
ATOM   1565 O O   . LEU   A 1 186 ? -12.260 -1.266  -19.388 1.00 44.48 ? 192 LEU   B O   1 
ATOM   1566 C CB  . LEU   A 1 186 ? -13.280 -1.938  -22.253 1.00 37.53 ? 192 LEU   B CB  1 
HETATM 1567 C C1  . EDO   B 2 .   ? -45.780 -3.463  -22.975 1.00 29.14 ? 201 EDO   B C1  1 
HETATM 1568 O O1  . EDO   B 2 .   ? -44.415 -3.251  -23.241 1.00 20.67 ? 201 EDO   B O1  1 
HETATM 1569 C C2  . EDO   B 2 .   ? -46.584 -4.191  -24.014 1.00 33.94 ? 201 EDO   B C2  1 
HETATM 1570 O O2  . EDO   B 2 .   ? -46.442 -3.711  -25.341 1.00 40.11 ? 201 EDO   B O2  1 
HETATM 1571 N N1  . A1BDJ C 3 .   ? -35.162 4.445   -16.054 0.72 44.69 ? 202 A1BDJ B N1  1 
HETATM 1572 C C4  . A1BDJ C 3 .   ? -35.664 5.911   -19.393 0.72 40.87 ? 202 A1BDJ B C4  1 
HETATM 1573 C C5  . A1BDJ C 3 .   ? -36.974 5.701   -20.144 0.72 41.60 ? 202 A1BDJ B C5  1 
HETATM 1574 C C6  . A1BDJ C 3 .   ? -37.013 6.476   -21.437 0.72 40.42 ? 202 A1BDJ B C6  1 
HETATM 1575 C C7  . A1BDJ C 3 .   ? -35.407 8.021   -20.709 0.72 38.86 ? 202 A1BDJ B C7  1 
HETATM 1576 C C8  . A1BDJ C 3 .   ? -35.267 7.381   -19.350 0.72 40.34 ? 202 A1BDJ B C8  1 
HETATM 1577 N N   . A1BDJ C 3 .   ? -35.786 5.378   -18.042 0.72 41.03 ? 202 A1BDJ B N   1 
HETATM 1578 C C   . A1BDJ C 3 .   ? -32.895 4.153   -15.469 0.72 41.10 ? 202 A1BDJ B C   1 
HETATM 1579 O O   . A1BDJ C 3 .   ? -36.727 7.854   -21.218 0.72 39.50 ? 202 A1BDJ B O   1 
HETATM 1580 C C1  . A1BDJ C 3 .   ? -32.466 4.699   -16.648 0.72 40.88 ? 202 A1BDJ B C1  1 
HETATM 1581 C C2  . A1BDJ C 3 .   ? -33.415 5.139   -17.554 0.72 38.95 ? 202 A1BDJ B C2  1 
HETATM 1582 C C3  . A1BDJ C 3 .   ? -34.765 4.988   -17.223 0.72 41.75 ? 202 A1BDJ B C3  1 
HETATM 1583 C C9  . A1BDJ C 3 .   ? -34.220 4.036   -15.189 0.72 43.76 ? 202 A1BDJ B C9  1 
HETATM 1584 F F   . A1BDJ C 3 .   ? -31.984 3.685   -14.568 0.72 40.29 ? 202 A1BDJ B F   1 
HETATM 1585 C C1  . EDO   D 2 .   ? -50.706 -16.845 -33.241 1.00 35.72 ? 203 EDO   B C1  1 
HETATM 1586 O O1  . EDO   D 2 .   ? -49.360 -16.409 -33.133 1.00 28.66 ? 203 EDO   B O1  1 
HETATM 1587 C C2  . EDO   D 2 .   ? -51.305 -17.101 -31.929 1.00 35.65 ? 203 EDO   B C2  1 
HETATM 1588 O O2  . EDO   D 2 .   ? -51.586 -15.892 -31.270 1.00 44.52 ? 203 EDO   B O2  1 
HETATM 1589 S S   . SO4   E 4 .   ? -40.510 -24.700 -26.342 1.00 39.32 ? 204 SO4   B S   1 
HETATM 1590 O O1  . SO4   E 4 .   ? -39.765 -23.740 -27.104 1.00 25.03 ? 204 SO4   B O1  1 
HETATM 1591 O O2  . SO4   E 4 .   ? -41.416 -25.397 -27.204 1.00 43.52 ? 204 SO4   B O2  1 
HETATM 1592 O O3  . SO4   E 4 .   ? -39.583 -25.633 -25.740 1.00 43.40 ? 204 SO4   B O3  1 
HETATM 1593 O O4  . SO4   E 4 .   ? -41.267 -24.039 -25.295 1.00 39.44 ? 204 SO4   B O4  1 
HETATM 1594 O O   . HOH   F 5 .   ? -22.808 -1.859  -9.783  1.00 25.39 ? 301 HOH   B O   1 
HETATM 1595 O O   . HOH   F 5 .   ? -40.236 -1.301  -9.844  1.00 27.84 ? 302 HOH   B O   1 
HETATM 1596 O O   . HOH   F 5 .   ? -47.166 1.453   -25.653 1.00 35.28 ? 303 HOH   B O   1 
HETATM 1597 O O   . HOH   F 5 .   ? -38.098 2.732   -22.769 1.00 17.94 ? 304 HOH   B O   1 
HETATM 1598 O O   . HOH   F 5 .   ? -38.412 0.383   -11.830 1.00 32.80 ? 305 HOH   B O   1 
HETATM 1599 O O   . HOH   F 5 .   ? -30.928 -6.747  -11.348 1.00 13.96 ? 306 HOH   B O   1 
HETATM 1600 O O   . HOH   F 5 .   ? -38.888 -2.555  -21.345 1.00 14.36 ? 307 HOH   B O   1 
HETATM 1601 O O   . HOH   F 5 .   ? -26.666 1.962   -11.183 1.00 24.45 ? 308 HOH   B O   1 
HETATM 1602 O O   . HOH   F 5 .   ? -38.481 3.744   -42.194 1.00 27.67 ? 309 HOH   B O   1 
HETATM 1603 O O   . HOH   F 5 .   ? -23.440 4.321   -24.681 1.00 24.77 ? 310 HOH   B O   1 
HETATM 1604 O O   . HOH   F 5 .   ? -38.634 -7.725  -10.773 1.00 15.44 ? 311 HOH   B O   1 
HETATM 1605 O O   . HOH   F 5 .   ? -19.946 1.875   -30.537 1.00 29.83 ? 312 HOH   B O   1 
HETATM 1606 O O   . HOH   F 5 .   ? -30.816 1.107   -17.071 1.00 23.99 ? 313 HOH   B O   1 
HETATM 1607 O O   . HOH   F 5 .   ? -23.324 2.245   -23.025 1.00 28.15 ? 314 HOH   B O   1 
HETATM 1608 O O   . HOH   F 5 .   ? -36.617 -1.053  -22.101 1.00 12.94 ? 315 HOH   B O   1 
HETATM 1609 O O   . HOH   F 5 .   ? -41.558 -7.953  -3.391  1.00 40.37 ? 316 HOH   B O   1 
HETATM 1610 O O   . HOH   F 5 .   ? -35.928 -3.855  -10.090 1.00 42.46 ? 317 HOH   B O   1 
HETATM 1611 O O   . HOH   F 5 .   ? -41.836 1.388   -22.550 1.00 32.42 ? 318 HOH   B O   1 
HETATM 1612 O O   . HOH   F 5 .   ? -23.997 1.113   -10.705 1.00 30.52 ? 319 HOH   B O   1 
HETATM 1613 O O   . HOH   F 5 .   ? -32.425 -5.078  -12.956 1.00 12.83 ? 320 HOH   B O   1 
HETATM 1614 O O   . HOH   F 5 .   ? -37.146 0.867   -15.561 1.00 15.94 ? 321 HOH   B O   1 
HETATM 1615 O O   . HOH   F 5 .   ? -43.978 -0.625  -24.395 1.00 26.70 ? 322 HOH   B O   1 
HETATM 1616 O O   . HOH   F 5 .   ? -41.556 -8.566  -13.347 1.00 20.13 ? 323 HOH   B O   1 
HETATM 1617 O O   . HOH   F 5 .   ? -31.600 3.342   -26.821 1.00 22.86 ? 324 HOH   B O   1 
HETATM 1618 O O   . HOH   F 5 .   ? -39.971 2.666   -16.092 1.00 16.03 ? 325 HOH   B O   1 
HETATM 1619 O O   . HOH   F 5 .   ? -31.145 4.007   -24.224 1.00 22.62 ? 326 HOH   B O   1 
HETATM 1620 O O   . HOH   F 5 .   ? -29.025 7.736   -30.200 1.00 31.85 ? 327 HOH   B O   1 
HETATM 1621 O O   . HOH   F 5 .   ? -34.392 -7.198  -7.951  1.00 30.24 ? 328 HOH   B O   1 
HETATM 1622 O O   . HOH   F 5 .   ? -43.355 3.713   -18.800 1.00 22.07 ? 329 HOH   B O   1 
HETATM 1623 O O   . HOH   F 5 .   ? -25.313 6.924   -28.960 1.00 29.69 ? 330 HOH   B O   1 
HETATM 1624 O O   . HOH   F 5 .   ? -41.279 5.371   -28.555 1.00 29.69 ? 331 HOH   B O   1 
HETATM 1625 O O   . HOH   F 5 .   ? -41.212 -8.922  -19.376 1.00 13.79 ? 332 HOH   B O   1 
HETATM 1626 O O   . HOH   F 5 .   ? -19.989 2.268   -23.953 1.00 35.45 ? 333 HOH   B O   1 
HETATM 1627 O O   . HOH   F 5 .   ? -41.062 6.486   -33.057 1.00 31.50 ? 334 HOH   B O   1 
HETATM 1628 O O   . HOH   F 5 .   ? -36.737 -6.676  -8.925  1.00 28.68 ? 335 HOH   B O   1 
HETATM 1629 O O   . HOH   F 5 .   ? -21.850 6.881   -32.308 1.00 29.14 ? 336 HOH   B O   1 
HETATM 1630 O O   . HOH   F 5 .   ? -8.404  -23.216 -30.230 1.00 31.30 ? 337 HOH   B O   1 
HETATM 1631 O O   . HOH   F 5 .   ? -22.897 3.400   -20.637 1.00 36.19 ? 338 HOH   B O   1 
# 
