data_7HNT
# 
_entry.id   7HNT 
# 
_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   7HNT         pdb_00007hnt 10.2210/pdb7hnt/pdb 
WWPDB D_1001407707 ?            ?                   
# 
_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                        7HNT 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-04 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.SG_entry                        ? 
_pdbx_database_status.pdb_format_compatible           Y 
_pdbx_database_status.methods_development_category    ? 
# 
_pdbx_contact_author.id                 1 
_pdbx_contact_author.email              knapp@pharmchem.uni-frankfurt.de 
_pdbx_contact_author.name_first         Stefan 
_pdbx_contact_author.name_last          Knapp 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-5995-6494 
_pdbx_contact_author.name_mi            ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Kim, Y.'                              1 
'Marples, P.'                          2 
'Fearon, D.'                           3 
'von Delft, F.'                        4 
'Knapp, S.'                            5 
'Kraemer, A.'                          6 
'Structural Genomics Consortium (SGC)' 7 
# 
_citation.id                        primary 
_citation.title                     'PanDDA analysis group deposition' 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_volume            ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.year                      ? 
_citation.journal_id_ASTM           ? 
_citation.country                   ? 
_citation.journal_id_ISSN           ? 
_citation.journal_id_CSD            0353 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_DOI      ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.identifier_ORCID 
_citation_author.ordinal 
primary 'Kim, Y.'                              ? 1 
primary 'Marples, P.'                          ? 2 
primary 'Fearon, D.'                           ? 3 
primary 'von Delft, F.'                        ? 4 
primary 'Knapp, S.'                            ? 5 
primary 'Kraemer, A.'                          ? 6 
primary 'Structural Genomics Consortium (SGC)' ? 7 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'E3 ubiquitin-protein ligase TRIM21' 21596.361 1   2.3.2.27 ? ? ? 
2 non-polymer syn 1,2-ETHANEDIOL                       62.068    2   ?        ? ? ? 
3 non-polymer syn 'N-(1H-indazol-6-yl)acetamide'       175.187   1   ?        ? ? ? 
4 non-polymer syn 'SULFATE ION'                        96.063    1   ?        ? ? ? 
5 water       nat water                                18.015    143 ?        ? ? ? 
# 
_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 'N-(1H-indazol-6-yl)acetamide' LHR 
4 'SULFATE ION'                  SO4 
5 water                          HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   HIS n 
1 3   HIS n 
1 4   HIS n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   MET n 
1 9   VAL n 
1 10  HIS n 
1 11  ILE n 
1 12  THR n 
1 13  LEU n 
1 14  ASP n 
1 15  ARG n 
1 16  ASN n 
1 17  THR n 
1 18  ALA n 
1 19  ASN n 
1 20  SER n 
1 21  TRP n 
1 22  LEU n 
1 23  ILE n 
1 24  ILE n 
1 25  SER n 
1 26  LYS n 
1 27  ASP n 
1 28  ARG n 
1 29  ARG n 
1 30  GLN n 
1 31  VAL n 
1 32  ARG n 
1 33  MET n 
1 34  GLY n 
1 35  ASP n 
1 36  THR n 
1 37  HIS n 
1 38  GLN n 
1 39  ASN n 
1 40  VAL n 
1 41  SER n 
1 42  ASP n 
1 43  ASN n 
1 44  LYS n 
1 45  GLU n 
1 46  ARG n 
1 47  PHE n 
1 48  SER n 
1 49  ASN n 
1 50  TYR n 
1 51  PRO n 
1 52  MET n 
1 53  VAL n 
1 54  LEU n 
1 55  GLY n 
1 56  ALA n 
1 57  GLN n 
1 58  ARG n 
1 59  PHE n 
1 60  SER n 
1 61  SER n 
1 62  GLY n 
1 63  LYS n 
1 64  MET n 
1 65  TYR n 
1 66  TRP n 
1 67  GLU n 
1 68  VAL n 
1 69  ASP n 
1 70  VAL n 
1 71  THR n 
1 72  GLN n 
1 73  LYS n 
1 74  GLU n 
1 75  ALA n 
1 76  TRP n 
1 77  ASP n 
1 78  LEU n 
1 79  GLY n 
1 80  VAL n 
1 81  CYS n 
1 82  ARG n 
1 83  ASP n 
1 84  SER n 
1 85  VAL n 
1 86  GLN n 
1 87  ARG n 
1 88  LYS n 
1 89  GLY n 
1 90  GLN n 
1 91  PHE n 
1 92  SER n 
1 93  LEU n 
1 94  SER n 
1 95  PRO n 
1 96  GLU n 
1 97  ASN n 
1 98  GLY n 
1 99  PHE n 
1 100 TRP n 
1 101 THR n 
1 102 ILE n 
1 103 TRP n 
1 104 LEU n 
1 105 TRP n 
1 106 GLN n 
1 107 ASP n 
1 108 SER n 
1 109 TYR n 
1 110 GLU n 
1 111 ALA n 
1 112 GLY n 
1 113 THR n 
1 114 SER n 
1 115 PRO n 
1 116 GLN n 
1 117 THR n 
1 118 THR n 
1 119 LEU n 
1 120 HIS n 
1 121 ILE n 
1 122 GLN n 
1 123 VAL n 
1 124 PRO n 
1 125 PRO n 
1 126 CYS n 
1 127 GLN n 
1 128 ILE n 
1 129 GLY n 
1 130 ILE n 
1 131 PHE n 
1 132 VAL n 
1 133 ASP n 
1 134 TYR n 
1 135 GLU n 
1 136 ALA n 
1 137 GLY n 
1 138 VAL n 
1 139 VAL n 
1 140 SER n 
1 141 PHE n 
1 142 TYR n 
1 143 ASN n 
1 144 ILE n 
1 145 THR n 
1 146 ASP n 
1 147 HIS n 
1 148 GLY n 
1 149 SER n 
1 150 LEU n 
1 151 ILE n 
1 152 TYR n 
1 153 THR n 
1 154 PHE n 
1 155 SER n 
1 156 GLU n 
1 157 CYS n 
1 158 VAL n 
1 159 PHE n 
1 160 ALA n 
1 161 GLY n 
1 162 PRO n 
1 163 LEU n 
1 164 ARG n 
1 165 PRO n 
1 166 PHE n 
1 167 PHE n 
1 168 ASN n 
1 169 VAL n 
1 170 GLY n 
1 171 PHE n 
1 172 ASN n 
1 173 TYR n 
1 174 SER n 
1 175 GLY n 
1 176 GLY n 
1 177 ASN n 
1 178 ALA n 
1 179 ALA n 
1 180 PRO n 
1 181 LEU n 
1 182 LYS n 
1 183 LEU n 
1 184 CYS n 
1 185 PRO n 
1 186 LEU n 
1 187 LYS n 
1 188 MET n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   188 
_entity_src_gen.gene_src_common_name               'house mouse' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'Trim21, Ro52, Ssa1' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Mus musculus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     10090 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE                        ?                 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE                       ?                 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE                     ?                 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'                ?                 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE                       ?                 'C3 H7 N O2 S'   121.158 
EDO non-polymer         . 1,2-ETHANEDIOL                 'ETHYLENE GLYCOL' 'C2 H6 O2'       62.068  
GLN 'L-peptide linking' y GLUTAMINE                      ?                 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'                ?                 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE                        ?                 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE                      ?                 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER                          ?                 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE                     ?                 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE                        ?                 'C6 H13 N O2'    131.173 
LHR non-polymer         . 'N-(1H-indazol-6-yl)acetamide' ?                 'C9 H9 N3 O'     175.187 
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        LHR 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   LHR 
_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 LHR 1   202 302 LHR 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 11  HOH HOH B . 
F 5 HOH 2   302 12  HOH HOH B . 
F 5 HOH 3   303 26  HOH HOH B . 
F 5 HOH 4   304 63  HOH HOH B . 
F 5 HOH 5   305 2   HOH HOH B . 
F 5 HOH 6   306 129 HOH HOH B . 
F 5 HOH 7   307 21  HOH HOH B . 
F 5 HOH 8   308 29  HOH HOH B . 
F 5 HOH 9   309 99  HOH HOH B . 
F 5 HOH 10  310 27  HOH HOH B . 
F 5 HOH 11  311 40  HOH HOH B . 
F 5 HOH 12  312 1   HOH HOH B . 
F 5 HOH 13  313 51  HOH HOH B . 
F 5 HOH 14  314 25  HOH HOH B . 
F 5 HOH 15  315 3   HOH HOH B . 
F 5 HOH 16  316 16  HOH HOH B . 
F 5 HOH 17  317 102 HOH HOH B . 
F 5 HOH 18  318 90  HOH HOH B . 
F 5 HOH 19  319 70  HOH HOH B . 
F 5 HOH 20  320 95  HOH HOH B . 
F 5 HOH 21  321 184 HOH HOH B . 
F 5 HOH 22  322 5   HOH HOH B . 
F 5 HOH 23  323 10  HOH HOH B . 
F 5 HOH 24  324 11  HOH HOH B . 
F 5 HOH 25  325 33  HOH HOH B . 
F 5 HOH 26  326 9   HOH HOH B . 
F 5 HOH 27  327 34  HOH HOH B . 
F 5 HOH 28  328 16  HOH HOH B . 
F 5 HOH 29  329 18  HOH HOH B . 
F 5 HOH 30  330 100 HOH HOH B . 
F 5 HOH 31  331 20  HOH HOH B . 
F 5 HOH 32  332 39  HOH HOH B . 
F 5 HOH 33  333 281 HOH HOH B . 
F 5 HOH 34  334 36  HOH HOH B . 
F 5 HOH 35  335 7   HOH HOH B . 
F 5 HOH 36  336 137 HOH HOH B . 
F 5 HOH 37  337 72  HOH HOH B . 
F 5 HOH 38  338 30  HOH HOH B . 
F 5 HOH 39  339 22  HOH HOH B . 
F 5 HOH 40  340 80  HOH HOH B . 
F 5 HOH 41  341 68  HOH HOH B . 
F 5 HOH 42  342 2   HOH HOH B . 
F 5 HOH 43  343 214 HOH HOH B . 
F 5 HOH 44  344 31  HOH HOH B . 
F 5 HOH 45  345 55  HOH HOH B . 
F 5 HOH 46  346 86  HOH HOH B . 
F 5 HOH 47  347 26  HOH HOH B . 
F 5 HOH 48  348 27  HOH HOH B . 
F 5 HOH 49  349 29  HOH HOH B . 
F 5 HOH 50  350 3   HOH HOH B . 
F 5 HOH 51  351 126 HOH HOH B . 
F 5 HOH 52  352 50  HOH HOH B . 
F 5 HOH 53  353 58  HOH HOH B . 
F 5 HOH 54  354 17  HOH HOH B . 
F 5 HOH 55  355 10  HOH HOH B . 
F 5 HOH 56  356 6   HOH HOH B . 
F 5 HOH 57  357 15  HOH HOH B . 
F 5 HOH 58  358 267 HOH HOH B . 
F 5 HOH 59  359 1   HOH HOH B . 
F 5 HOH 60  360 157 HOH HOH B . 
F 5 HOH 61  361 4   HOH HOH B . 
F 5 HOH 62  362 172 HOH HOH B . 
F 5 HOH 63  363 81  HOH HOH B . 
F 5 HOH 64  364 66  HOH HOH B . 
F 5 HOH 65  365 116 HOH HOH B . 
F 5 HOH 66  366 33  HOH HOH B . 
F 5 HOH 67  367 32  HOH HOH B . 
F 5 HOH 68  368 89  HOH HOH B . 
F 5 HOH 69  369 47  HOH HOH B . 
F 5 HOH 70  370 4   HOH HOH B . 
F 5 HOH 71  371 76  HOH HOH B . 
F 5 HOH 72  372 62  HOH HOH B . 
F 5 HOH 73  373 59  HOH HOH B . 
F 5 HOH 74  374 304 HOH HOH B . 
F 5 HOH 75  375 8   HOH HOH B . 
F 5 HOH 76  376 61  HOH HOH B . 
F 5 HOH 77  377 19  HOH HOH B . 
F 5 HOH 78  378 211 HOH HOH B . 
F 5 HOH 79  379 71  HOH HOH B . 
F 5 HOH 80  380 85  HOH HOH B . 
F 5 HOH 81  381 264 HOH HOH B . 
F 5 HOH 82  382 28  HOH HOH B . 
F 5 HOH 83  383 73  HOH HOH B . 
F 5 HOH 84  384 93  HOH HOH B . 
F 5 HOH 85  385 103 HOH HOH B . 
F 5 HOH 86  386 25  HOH HOH B . 
F 5 HOH 87  387 48  HOH HOH B . 
F 5 HOH 88  388 43  HOH HOH B . 
F 5 HOH 89  389 154 HOH HOH B . 
F 5 HOH 90  390 24  HOH HOH B . 
F 5 HOH 91  391 32  HOH HOH B . 
F 5 HOH 92  392 125 HOH HOH B . 
F 5 HOH 93  393 60  HOH HOH B . 
F 5 HOH 94  394 57  HOH HOH B . 
F 5 HOH 95  395 303 HOH HOH B . 
F 5 HOH 96  396 64  HOH HOH B . 
F 5 HOH 97  397 156 HOH HOH B . 
F 5 HOH 98  398 46  HOH HOH B . 
F 5 HOH 99  399 42  HOH HOH B . 
F 5 HOH 100 400 8   HOH HOH B . 
F 5 HOH 101 401 97  HOH HOH B . 
F 5 HOH 102 402 12  HOH HOH B . 
F 5 HOH 103 403 14  HOH HOH B . 
F 5 HOH 104 404 20  HOH HOH B . 
F 5 HOH 105 405 23  HOH HOH B . 
F 5 HOH 106 406 54  HOH HOH B . 
F 5 HOH 107 407 49  HOH HOH B . 
F 5 HOH 108 408 41  HOH HOH B . 
F 5 HOH 109 409 45  HOH HOH B . 
F 5 HOH 110 410 7   HOH HOH B . 
F 5 HOH 111 411 56  HOH HOH B . 
F 5 HOH 112 412 120 HOH HOH B . 
F 5 HOH 113 413 13  HOH HOH B . 
F 5 HOH 114 414 197 HOH HOH B . 
F 5 HOH 115 415 15  HOH HOH B . 
F 5 HOH 116 416 44  HOH HOH B . 
F 5 HOH 117 417 38  HOH HOH B . 
F 5 HOH 118 418 18  HOH HOH B . 
F 5 HOH 119 419 140 HOH HOH B . 
F 5 HOH 120 420 53  HOH HOH B . 
F 5 HOH 121 421 257 HOH HOH B . 
F 5 HOH 122 422 69  HOH HOH B . 
F 5 HOH 123 423 22  HOH HOH B . 
F 5 HOH 124 424 5   HOH HOH B . 
F 5 HOH 125 425 112 HOH HOH B . 
F 5 HOH 126 426 19  HOH HOH B . 
F 5 HOH 127 427 133 HOH HOH B . 
F 5 HOH 128 428 30  HOH HOH B . 
F 5 HOH 129 429 263 HOH HOH B . 
F 5 HOH 130 430 266 HOH HOH B . 
F 5 HOH 131 431 114 HOH HOH B . 
F 5 HOH 132 432 115 HOH HOH B . 
F 5 HOH 133 433 166 HOH HOH B . 
F 5 HOH 134 434 23  HOH HOH B . 
F 5 HOH 135 435 21  HOH HOH B . 
F 5 HOH 136 436 13  HOH HOH B . 
F 5 HOH 137 437 104 HOH HOH B . 
F 5 HOH 138 438 127 HOH HOH B . 
F 5 HOH 139 439 205 HOH HOH B . 
F 5 HOH 140 440 14  HOH HOH B . 
F 5 HOH 141 441 131 HOH HOH B . 
F 5 HOH 142 442 270 HOH HOH B . 
F 5 HOH 143 443 259 HOH HOH B . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 B LEU 192 ? CG  ? A LEU 186 CG  
2 1 Y 1 B LEU 192 ? CD1 ? A LEU 186 CD1 
3 1 Y 1 B LEU 192 ? CD2 ? A LEU 186 CD2 
# 
loop_
_software.pdbx_ordinal 
_software.name 
_software.version 
_software.date 
_software.type 
_software.contact_author 
_software.contact_author_email 
_software.classification 
_software.location 
_software.language 
_software.citation_id 
1 REFMAC      5.8.0267 ?               program 'Garib N. Murshudov' garib@ysbl.york.ac.uk    refinement        
http://www.ccp4.ac.uk/dist/html/refmac5.html        Fortran_77 ? 
2 Aimless     0.7.7    23/04/21        program 'Phil Evans'         ?                        'data scaling'    
http://www.mrc-lmb.cam.ac.uk/harry/pre/aimless.html ?          ? 
3 PDB_EXTRACT 3.23     'SEP. 23, 2016' package PDB                  deposit@deposit.rcsb.org 'data extraction' 
http://sw-tools.pdb.org/apps/PDB_EXTRACT/           C++        ? 
4 XDS         .        ?               program ?                    ?                        'data reduction'  ? ?          ? 
5 REFMAC      .        ?               program ?                    ?                        phasing           ? ?          ? 
# 
_cell.entry_id           7HNT 
_cell.length_a           95.536 
_cell.length_b           95.536 
_cell.length_c           45.872 
_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                         7HNT 
_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          7HNT 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.42 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   49.24 
_exptl_crystal.size_max              ? 
_exptl_crystal.size_mid              ? 
_exptl_crystal.size_min              ? 
_exptl_crystal.size_rad              ? 
_exptl_crystal.description           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.pH              8 
_exptl_crystal_grow.temp            293 
_exptl_crystal_grow.pdbx_details    '4 % PEG 400, 2 M AmmSO4, 0.1 M HEPES pH 8' 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           100 
_diffrn.crystal_id             1 
_diffrn.ambient_temp_details   ? 
# 
_diffrn_detector.detector               PIXEL 
_diffrn_detector.type                   'DECTRIS EIGER2 XE 9M' 
_diffrn_detector.pdbx_collection_date   2024-07-04 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.92134 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'DIAMOND BEAMLINE I04-1' 
_diffrn_source.pdbx_wavelength_list        0.92134 
_diffrn_source.pdbx_synchrotron_site       Diamond 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HNT 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             67.540 
_reflns.d_resolution_high            1.170 
_reflns.number_obs                   59229 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         85.000 
_reflns.pdbx_Rmerge_I_obs            0.057 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        15.200 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              10.000 
_reflns.pdbx_Rrim_I_all              0.060 
_reflns.pdbx_Rpim_I_all              0.017 
_reflns.pdbx_CC_half                 0.999 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     589758 
_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 1.170 1.190  ? 1054 884 ? 0.977 ? ? ? 1.200  ? 0.500  ? ? ? ? ? ? 25.900 1.364 0.950 0.400 
1 2 6.410 67.540 ? 5849 459 ? 0.056 ? ? ? 12.700 ? 46.800 ? ? ? ? ? ? 99.900 0.059 0.018 0.995 
# 
_refine.entry_id                                 7HNT 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.1700 
_refine.ls_d_res_low                             67.5500 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    84.7400 
_refine.ls_number_reflns_obs                     56208 
_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                          0.1805 
_refine.ls_R_factor_R_work                       0.1797 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.1971 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.9000 
_refine.ls_number_reflns_R_free                  2888 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               15.4390 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.2400 
_refine.aniso_B[2][2]                            0.2400 
_refine.aniso_B[3][3]                            -0.4800 
_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          0.9640 
_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                       0.0450 
_refine.pdbx_overall_ESU_R_Free                  0.0460 
_refine.overall_SU_ML                            0.0340 
_refine.overall_SU_B                             0.7950 
_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                                67.190 
_refine.B_iso_min                                8.070 
_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                       1.1700 
_refine_hist.d_res_low                        67.5500 
_refine_hist.pdbx_number_atoms_ligand         26 
_refine_hist.number_atoms_solvent             143 
_refine_hist.number_atoms_total               1662 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           31.78 
_refine_hist.pdbx_B_iso_mean_solvent          25.77 
_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       2035 0.012  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1622 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2549 1.822  1.638  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3742 1.445  1.582  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 241  7.326  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 110  28.608 21.455 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 291  11.715 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   22.545 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         220  0.087  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2294 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     510  0.003  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            972  1.274  1.374  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         965  1.217  1.363  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1153 1.970  2.053  ? ? 
# 
_refine_ls_shell.d_res_high                       1.1700 
_refine_ls_shell.d_res_low                        1.2010 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               26.1700 
_refine_ls_shell.number_reflns_R_work             1275 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3410 
_refine_ls_shell.R_factor_R_free                  0.3480 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             70 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                1345 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HNT 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z383202616' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HNT 
_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              7HNT 
_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 7HNT MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HNT HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HNT HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HNT HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HNT HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HNT HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HNT HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HNT MET B 8 ? UNP Q62191 ? ? 'expression tag'        14 8 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 4  ? MET A 8  ? HIS B 10  MET B 14  5 ? 5 
HELX_P HELX_P2 AA2 ASP A 14 ? ALA A 18 ? ASP B 20  ALA B 24  5 ? 5 
HELX_P HELX_P3 AA3 SER A 94 ? ASN A 97 ? SER B 100 ASN B 103 5 ? 4 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           114 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            120 
_struct_mon_prot_cis.auth_asym_id           B 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    115 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     121 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    B 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -0.91 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 7 ? 
AA2 ? 6 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 LEU A 22  ? ILE A 24  ? LEU B 28  ILE B 30  
AA1 2 GLN A 30  ? MET A 33  ? GLN B 36  MET B 39  
AA1 3 LEU A 181 ? LEU A 183 ? LEU B 187 LEU B 189 
AA1 4 LYS A 63  ? ASP A 69  ? LYS B 69  ASP B 75  
AA1 5 GLN A 127 ? ASP A 133 ? GLN B 133 ASP B 139 
AA1 6 VAL A 138 ? ASN A 143 ? VAL B 144 ASN B 149 
AA1 7 SER A 149 ? PHE A 154 ? SER B 155 PHE B 160 
AA2 1 MET A 52  ? LEU A 54  ? MET B 58  LEU B 60  
AA2 2 LEU A 163 ? ASN A 168 ? LEU B 169 ASN B 174 
AA2 3 TRP A 76  ? ARG A 82  ? TRP B 82  ARG B 88  
AA2 4 PHE A 99  ? TRP A 105 ? PHE B 105 TRP B 111 
AA2 5 SER A 108 ? ALA A 111 ? SER B 114 ALA B 117 
AA2 6 THR A 117 ? THR A 118 ? THR B 123 THR B 124 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N ILE A 23  ? N ILE B 29  O ARG A 32  ? O ARG B 38  
AA1 2 3 N VAL A 31  ? N VAL B 37  O LEU A 181 ? O LEU B 187 
AA1 3 4 O LYS A 182 ? O LYS B 188 N ASP A 69  ? N ASP B 75  
AA1 4 5 N TRP A 66  ? N TRP B 72  O ILE A 130 ? O ILE B 136 
AA1 5 6 N PHE A 131 ? N PHE B 137 O SER A 140 ? O SER B 146 
AA1 6 7 N PHE A 141 ? N PHE B 147 O ILE A 151 ? O ILE B 157 
AA2 1 2 N VAL A 53  ? N VAL B 59  O PHE A 167 ? O PHE B 173 
AA2 2 3 O ARG A 164 ? O ARG B 170 N CYS A 81  ? N CYS B 87  
AA2 3 4 N VAL A 80  ? N VAL B 86  O TRP A 100 ? O TRP B 106 
AA2 4 5 N TRP A 105 ? N TRP B 111 O SER A 108 ? O SER B 114 
AA2 5 6 N ALA A 111 ? N ALA B 117 O THR A 117 ? O THR B 123 
# 
_pdbx_entry_details.entry_id                   7HNT 
_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                128.54 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            16.74 
_pdbx_validate_rmsd_angle.angle_standard_deviation   2.10 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASN B 45  ? ? 70.18   36.12 
2 1 ASP B 152 ? ? -102.40 51.59 
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    B 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     431 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   F 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
_phasing.method   MR 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 B MET 7   ? A MET 1   
2 1 Y 1 B LYS 193 ? A LYS 187 
3 1 Y 1 B MET 194 ? A MET 188 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
EDO C1   C N N 88  
EDO O1   O N N 89  
EDO C2   C N N 90  
EDO O2   O N N 91  
EDO H11  H N N 92  
EDO H12  H N N 93  
EDO HO1  H N N 94  
EDO H21  H N N 95  
EDO H22  H N N 96  
EDO HO2  H N N 97  
GLN N    N N N 98  
GLN CA   C N S 99  
GLN C    C N N 100 
GLN O    O N N 101 
GLN CB   C N N 102 
GLN CG   C N N 103 
GLN CD   C N N 104 
GLN OE1  O N N 105 
GLN NE2  N N N 106 
GLN OXT  O N N 107 
GLN H    H N N 108 
GLN H2   H N N 109 
GLN HA   H N N 110 
GLN HB2  H N N 111 
GLN HB3  H N N 112 
GLN HG2  H N N 113 
GLN HG3  H N N 114 
GLN HE21 H N N 115 
GLN HE22 H N N 116 
GLN HXT  H N N 117 
GLU N    N N N 118 
GLU CA   C N S 119 
GLU C    C N N 120 
GLU O    O N N 121 
GLU CB   C N N 122 
GLU CG   C N N 123 
GLU CD   C N N 124 
GLU OE1  O N N 125 
GLU OE2  O N N 126 
GLU OXT  O N N 127 
GLU H    H N N 128 
GLU H2   H N N 129 
GLU HA   H N N 130 
GLU HB2  H N N 131 
GLU HB3  H N N 132 
GLU HG2  H N N 133 
GLU HG3  H N N 134 
GLU HE2  H N N 135 
GLU HXT  H N N 136 
GLY N    N N N 137 
GLY CA   C N N 138 
GLY C    C N N 139 
GLY O    O N N 140 
GLY OXT  O N N 141 
GLY H    H N N 142 
GLY H2   H N N 143 
GLY HA2  H N N 144 
GLY HA3  H N N 145 
GLY HXT  H N N 146 
HIS N    N N N 147 
HIS CA   C N S 148 
HIS C    C N N 149 
HIS O    O N N 150 
HIS CB   C N N 151 
HIS CG   C Y N 152 
HIS ND1  N Y N 153 
HIS CD2  C Y N 154 
HIS CE1  C Y N 155 
HIS NE2  N Y N 156 
HIS OXT  O N N 157 
HIS H    H N N 158 
HIS H2   H N N 159 
HIS HA   H N N 160 
HIS HB2  H N N 161 
HIS HB3  H N N 162 
HIS HD1  H N N 163 
HIS HD2  H N N 164 
HIS HE1  H N N 165 
HIS HE2  H N N 166 
HIS HXT  H N N 167 
HOH O    O N N 168 
HOH H1   H N N 169 
HOH H2   H N N 170 
ILE N    N N N 171 
ILE CA   C N S 172 
ILE C    C N N 173 
ILE O    O N N 174 
ILE CB   C N S 175 
ILE CG1  C N N 176 
ILE CG2  C N N 177 
ILE CD1  C N N 178 
ILE OXT  O N N 179 
ILE H    H N N 180 
ILE H2   H N N 181 
ILE HA   H N N 182 
ILE HB   H N N 183 
ILE HG12 H N N 184 
ILE HG13 H N N 185 
ILE HG21 H N N 186 
ILE HG22 H N N 187 
ILE HG23 H N N 188 
ILE HD11 H N N 189 
ILE HD12 H N N 190 
ILE HD13 H N N 191 
ILE HXT  H N N 192 
LEU N    N N N 193 
LEU CA   C N S 194 
LEU C    C N N 195 
LEU O    O N N 196 
LEU CB   C N N 197 
LEU CG   C N N 198 
LEU CD1  C N N 199 
LEU CD2  C N N 200 
LEU OXT  O N N 201 
LEU H    H N N 202 
LEU H2   H N N 203 
LEU HA   H N N 204 
LEU HB2  H N N 205 
LEU HB3  H N N 206 
LEU HG   H N N 207 
LEU HD11 H N N 208 
LEU HD12 H N N 209 
LEU HD13 H N N 210 
LEU HD21 H N N 211 
LEU HD22 H N N 212 
LEU HD23 H N N 213 
LEU HXT  H N N 214 
LHR N1   N N N 215 
LHR N3   N Y N 216 
LHR C4   C Y N 217 
LHR C5   C Y N 218 
LHR C6   C Y N 219 
LHR C7   C Y N 220 
LHR C8   C Y N 221 
LHR C1   C N N 222 
LHR C2   C N N 223 
LHR O1   O N N 224 
LHR C3   C Y N 225 
LHR N2   N Y N 226 
LHR C9   C Y N 227 
LHR H1   H N N 228 
LHR H2   H N N 229 
LHR H3   H N N 230 
LHR H4   H N N 231 
LHR H5   H N N 232 
LHR H6   H N N 233 
LHR H7   H N N 234 
LHR H8   H N N 235 
LHR H9   H N N 236 
LYS N    N N N 237 
LYS CA   C N S 238 
LYS C    C N N 239 
LYS O    O N N 240 
LYS CB   C N N 241 
LYS CG   C N N 242 
LYS CD   C N N 243 
LYS CE   C N N 244 
LYS NZ   N N N 245 
LYS OXT  O N N 246 
LYS H    H N N 247 
LYS H2   H N N 248 
LYS HA   H N N 249 
LYS HB2  H N N 250 
LYS HB3  H N N 251 
LYS HG2  H N N 252 
LYS HG3  H N N 253 
LYS HD2  H N N 254 
LYS HD3  H N N 255 
LYS HE2  H N N 256 
LYS HE3  H N N 257 
LYS HZ1  H N N 258 
LYS HZ2  H N N 259 
LYS HZ3  H N N 260 
LYS HXT  H N N 261 
MET N    N N N 262 
MET CA   C N S 263 
MET C    C N N 264 
MET O    O N N 265 
MET CB   C N N 266 
MET CG   C N N 267 
MET SD   S N N 268 
MET CE   C N N 269 
MET OXT  O N N 270 
MET H    H N N 271 
MET H2   H N N 272 
MET HA   H N N 273 
MET HB2  H N N 274 
MET HB3  H N N 275 
MET HG2  H N N 276 
MET HG3  H N N 277 
MET HE1  H N N 278 
MET HE2  H N N 279 
MET HE3  H N N 280 
MET HXT  H N N 281 
PHE N    N N N 282 
PHE CA   C N S 283 
PHE C    C N N 284 
PHE O    O N N 285 
PHE CB   C N N 286 
PHE CG   C Y N 287 
PHE CD1  C Y N 288 
PHE CD2  C Y N 289 
PHE CE1  C Y N 290 
PHE CE2  C Y N 291 
PHE CZ   C Y N 292 
PHE OXT  O N N 293 
PHE H    H N N 294 
PHE H2   H N N 295 
PHE HA   H N N 296 
PHE HB2  H N N 297 
PHE HB3  H N N 298 
PHE HD1  H N N 299 
PHE HD2  H N N 300 
PHE HE1  H N N 301 
PHE HE2  H N N 302 
PHE HZ   H N N 303 
PHE HXT  H N N 304 
PRO N    N N N 305 
PRO CA   C N S 306 
PRO C    C N N 307 
PRO O    O N N 308 
PRO CB   C N N 309 
PRO CG   C N N 310 
PRO CD   C N N 311 
PRO OXT  O N N 312 
PRO H    H N N 313 
PRO HA   H N N 314 
PRO HB2  H N N 315 
PRO HB3  H N N 316 
PRO HG2  H N N 317 
PRO HG3  H N N 318 
PRO HD2  H N N 319 
PRO HD3  H N N 320 
PRO HXT  H N N 321 
SER N    N N N 322 
SER CA   C N S 323 
SER C    C N N 324 
SER O    O N N 325 
SER CB   C N N 326 
SER OG   O N N 327 
SER OXT  O N N 328 
SER H    H N N 329 
SER H2   H N N 330 
SER HA   H N N 331 
SER HB2  H N N 332 
SER HB3  H N N 333 
SER HG   H N N 334 
SER HXT  H N N 335 
SO4 S    S N N 336 
SO4 O1   O N N 337 
SO4 O2   O N N 338 
SO4 O3   O N N 339 
SO4 O4   O N N 340 
THR N    N N N 341 
THR CA   C N S 342 
THR C    C N N 343 
THR O    O N N 344 
THR CB   C N R 345 
THR OG1  O N N 346 
THR CG2  C N N 347 
THR OXT  O N N 348 
THR H    H N N 349 
THR H2   H N N 350 
THR HA   H N N 351 
THR HB   H N N 352 
THR HG1  H N N 353 
THR HG21 H N N 354 
THR HG22 H N N 355 
THR HG23 H N N 356 
THR HXT  H N N 357 
TRP N    N N N 358 
TRP CA   C N S 359 
TRP C    C N N 360 
TRP O    O N N 361 
TRP CB   C N N 362 
TRP CG   C Y N 363 
TRP CD1  C Y N 364 
TRP CD2  C Y N 365 
TRP NE1  N Y N 366 
TRP CE2  C Y N 367 
TRP CE3  C Y N 368 
TRP CZ2  C Y N 369 
TRP CZ3  C Y N 370 
TRP CH2  C Y N 371 
TRP OXT  O N N 372 
TRP H    H N N 373 
TRP H2   H N N 374 
TRP HA   H N N 375 
TRP HB2  H N N 376 
TRP HB3  H N N 377 
TRP HD1  H N N 378 
TRP HE1  H N N 379 
TRP HE3  H N N 380 
TRP HZ2  H N N 381 
TRP HZ3  H N N 382 
TRP HH2  H N N 383 
TRP HXT  H N N 384 
TYR N    N N N 385 
TYR CA   C N S 386 
TYR C    C N N 387 
TYR O    O N N 388 
TYR CB   C N N 389 
TYR CG   C Y N 390 
TYR CD1  C Y N 391 
TYR CD2  C Y N 392 
TYR CE1  C Y N 393 
TYR CE2  C Y N 394 
TYR CZ   C Y N 395 
TYR OH   O N N 396 
TYR OXT  O N N 397 
TYR H    H N N 398 
TYR H2   H N N 399 
TYR HA   H N N 400 
TYR HB2  H N N 401 
TYR HB3  H N N 402 
TYR HD1  H N N 403 
TYR HD2  H N N 404 
TYR HE1  H N N 405 
TYR HE2  H N N 406 
TYR HH   H N N 407 
TYR HXT  H N N 408 
VAL N    N N N 409 
VAL CA   C N S 410 
VAL C    C N N 411 
VAL O    O N N 412 
VAL CB   C N N 413 
VAL CG1  C N N 414 
VAL CG2  C N N 415 
VAL OXT  O N N 416 
VAL H    H N N 417 
VAL H2   H N N 418 
VAL HA   H N N 419 
VAL HB   H N N 420 
VAL HG11 H N N 421 
VAL HG12 H N N 422 
VAL HG13 H N N 423 
VAL HG21 H N N 424 
VAL HG22 H N N 425 
VAL HG23 H N N 426 
VAL HXT  H N N 427 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
EDO C1  O1   sing N N 83  
EDO C1  C2   sing N N 84  
EDO C1  H11  sing N N 85  
EDO C1  H12  sing N N 86  
EDO O1  HO1  sing N N 87  
EDO C2  O2   sing N N 88  
EDO C2  H21  sing N N 89  
EDO C2  H22  sing N N 90  
EDO O2  HO2  sing N N 91  
GLN N   CA   sing N N 92  
GLN N   H    sing N N 93  
GLN N   H2   sing N N 94  
GLN CA  C    sing N N 95  
GLN CA  CB   sing N N 96  
GLN CA  HA   sing N N 97  
GLN C   O    doub N N 98  
GLN C   OXT  sing N N 99  
GLN CB  CG   sing N N 100 
GLN CB  HB2  sing N N 101 
GLN CB  HB3  sing N N 102 
GLN CG  CD   sing N N 103 
GLN CG  HG2  sing N N 104 
GLN CG  HG3  sing N N 105 
GLN CD  OE1  doub N N 106 
GLN CD  NE2  sing N N 107 
GLN NE2 HE21 sing N N 108 
GLN NE2 HE22 sing N N 109 
GLN OXT HXT  sing N N 110 
GLU N   CA   sing N N 111 
GLU N   H    sing N N 112 
GLU N   H2   sing N N 113 
GLU CA  C    sing N N 114 
GLU CA  CB   sing N N 115 
GLU CA  HA   sing N N 116 
GLU C   O    doub N N 117 
GLU C   OXT  sing N N 118 
GLU CB  CG   sing N N 119 
GLU CB  HB2  sing N N 120 
GLU CB  HB3  sing N N 121 
GLU CG  CD   sing N N 122 
GLU CG  HG2  sing N N 123 
GLU CG  HG3  sing N N 124 
GLU CD  OE1  doub N N 125 
GLU CD  OE2  sing N N 126 
GLU OE2 HE2  sing N N 127 
GLU OXT HXT  sing N N 128 
GLY N   CA   sing N N 129 
GLY N   H    sing N N 130 
GLY N   H2   sing N N 131 
GLY CA  C    sing N N 132 
GLY CA  HA2  sing N N 133 
GLY CA  HA3  sing N N 134 
GLY C   O    doub N N 135 
GLY C   OXT  sing N N 136 
GLY OXT HXT  sing N N 137 
HIS N   CA   sing N N 138 
HIS N   H    sing N N 139 
HIS N   H2   sing N N 140 
HIS CA  C    sing N N 141 
HIS CA  CB   sing N N 142 
HIS CA  HA   sing N N 143 
HIS C   O    doub N N 144 
HIS C   OXT  sing N N 145 
HIS CB  CG   sing N N 146 
HIS CB  HB2  sing N N 147 
HIS CB  HB3  sing N N 148 
HIS CG  ND1  sing Y N 149 
HIS CG  CD2  doub Y N 150 
HIS ND1 CE1  doub Y N 151 
HIS ND1 HD1  sing N N 152 
HIS CD2 NE2  sing Y N 153 
HIS CD2 HD2  sing N N 154 
HIS CE1 NE2  sing Y N 155 
HIS CE1 HE1  sing N N 156 
HIS NE2 HE2  sing N N 157 
HIS OXT HXT  sing N N 158 
HOH O   H1   sing N N 159 
HOH O   H2   sing N N 160 
ILE N   CA   sing N N 161 
ILE N   H    sing N N 162 
ILE N   H2   sing N N 163 
ILE CA  C    sing N N 164 
ILE CA  CB   sing N N 165 
ILE CA  HA   sing N N 166 
ILE C   O    doub N N 167 
ILE C   OXT  sing N N 168 
ILE CB  CG1  sing N N 169 
ILE CB  CG2  sing N N 170 
ILE CB  HB   sing N N 171 
ILE CG1 CD1  sing N N 172 
ILE CG1 HG12 sing N N 173 
ILE CG1 HG13 sing N N 174 
ILE CG2 HG21 sing N N 175 
ILE CG2 HG22 sing N N 176 
ILE CG2 HG23 sing N N 177 
ILE CD1 HD11 sing N N 178 
ILE CD1 HD12 sing N N 179 
ILE CD1 HD13 sing N N 180 
ILE OXT HXT  sing N N 181 
LEU N   CA   sing N N 182 
LEU N   H    sing N N 183 
LEU N   H2   sing N N 184 
LEU CA  C    sing N N 185 
LEU CA  CB   sing N N 186 
LEU CA  HA   sing N N 187 
LEU C   O    doub N N 188 
LEU C   OXT  sing N N 189 
LEU CB  CG   sing N N 190 
LEU CB  HB2  sing N N 191 
LEU CB  HB3  sing N N 192 
LEU CG  CD1  sing N N 193 
LEU CG  CD2  sing N N 194 
LEU CG  HG   sing N N 195 
LEU CD1 HD11 sing N N 196 
LEU CD1 HD12 sing N N 197 
LEU CD1 HD13 sing N N 198 
LEU CD2 HD21 sing N N 199 
LEU CD2 HD22 sing N N 200 
LEU CD2 HD23 sing N N 201 
LEU OXT HXT  sing N N 202 
LHR C1  C2   sing N N 203 
LHR C2  O1   doub N N 204 
LHR C2  N1   sing N N 205 
LHR N1  C3   sing N N 206 
LHR C3  C4   doub Y N 207 
LHR C3  C9   sing Y N 208 
LHR C4  C5   sing Y N 209 
LHR C9  C8   doub Y N 210 
LHR C5  C6   doub Y N 211 
LHR C8  C6   sing Y N 212 
LHR C8  N3   sing Y N 213 
LHR C6  C7   sing Y N 214 
LHR N3  N2   sing Y N 215 
LHR C7  N2   doub Y N 216 
LHR N1  H1   sing N N 217 
LHR N3  H2   sing N N 218 
LHR C4  H3   sing N N 219 
LHR C5  H4   sing N N 220 
LHR C7  H5   sing N N 221 
LHR C1  H6   sing N N 222 
LHR C1  H7   sing N N 223 
LHR C1  H8   sing N N 224 
LHR C9  H9   sing N N 225 
LYS N   CA   sing N N 226 
LYS N   H    sing N N 227 
LYS N   H2   sing N N 228 
LYS CA  C    sing N N 229 
LYS CA  CB   sing N N 230 
LYS CA  HA   sing N N 231 
LYS C   O    doub N N 232 
LYS C   OXT  sing N N 233 
LYS CB  CG   sing N N 234 
LYS CB  HB2  sing N N 235 
LYS CB  HB3  sing N N 236 
LYS CG  CD   sing N N 237 
LYS CG  HG2  sing N N 238 
LYS CG  HG3  sing N N 239 
LYS CD  CE   sing N N 240 
LYS CD  HD2  sing N N 241 
LYS CD  HD3  sing N N 242 
LYS CE  NZ   sing N N 243 
LYS CE  HE2  sing N N 244 
LYS CE  HE3  sing N N 245 
LYS NZ  HZ1  sing N N 246 
LYS NZ  HZ2  sing N N 247 
LYS NZ  HZ3  sing N N 248 
LYS OXT HXT  sing N N 249 
MET N   CA   sing N N 250 
MET N   H    sing N N 251 
MET N   H2   sing N N 252 
MET CA  C    sing N N 253 
MET CA  CB   sing N N 254 
MET CA  HA   sing N N 255 
MET C   O    doub N N 256 
MET C   OXT  sing N N 257 
MET CB  CG   sing N N 258 
MET CB  HB2  sing N N 259 
MET CB  HB3  sing N N 260 
MET CG  SD   sing N N 261 
MET CG  HG2  sing N N 262 
MET CG  HG3  sing N N 263 
MET SD  CE   sing N N 264 
MET CE  HE1  sing N N 265 
MET CE  HE2  sing N N 266 
MET CE  HE3  sing N N 267 
MET OXT HXT  sing N N 268 
PHE N   CA   sing N N 269 
PHE N   H    sing N N 270 
PHE N   H2   sing N N 271 
PHE CA  C    sing N N 272 
PHE CA  CB   sing N N 273 
PHE CA  HA   sing N N 274 
PHE C   O    doub N N 275 
PHE C   OXT  sing N N 276 
PHE CB  CG   sing N N 277 
PHE CB  HB2  sing N N 278 
PHE CB  HB3  sing N N 279 
PHE CG  CD1  doub Y N 280 
PHE CG  CD2  sing Y N 281 
PHE CD1 CE1  sing Y N 282 
PHE CD1 HD1  sing N N 283 
PHE CD2 CE2  doub Y N 284 
PHE CD2 HD2  sing N N 285 
PHE CE1 CZ   doub Y N 286 
PHE CE1 HE1  sing N N 287 
PHE CE2 CZ   sing Y N 288 
PHE CE2 HE2  sing N N 289 
PHE CZ  HZ   sing N N 290 
PHE OXT HXT  sing N N 291 
PRO N   CA   sing N N 292 
PRO N   CD   sing N N 293 
PRO N   H    sing N N 294 
PRO CA  C    sing N N 295 
PRO CA  CB   sing N N 296 
PRO CA  HA   sing N N 297 
PRO C   O    doub N N 298 
PRO C   OXT  sing N N 299 
PRO CB  CG   sing N N 300 
PRO CB  HB2  sing N N 301 
PRO CB  HB3  sing N N 302 
PRO CG  CD   sing N N 303 
PRO CG  HG2  sing N N 304 
PRO CG  HG3  sing N N 305 
PRO CD  HD2  sing N N 306 
PRO CD  HD3  sing N N 307 
PRO OXT HXT  sing N N 308 
SER N   CA   sing N N 309 
SER N   H    sing N N 310 
SER N   H2   sing N N 311 
SER CA  C    sing N N 312 
SER CA  CB   sing N N 313 
SER CA  HA   sing N N 314 
SER C   O    doub N N 315 
SER C   OXT  sing N N 316 
SER CB  OG   sing N N 317 
SER CB  HB2  sing N N 318 
SER CB  HB3  sing N N 319 
SER OG  HG   sing N N 320 
SER OXT HXT  sing N N 321 
SO4 S   O1   doub N N 322 
SO4 S   O2   doub N N 323 
SO4 S   O3   sing N N 324 
SO4 S   O4   sing N N 325 
THR N   CA   sing N N 326 
THR N   H    sing N N 327 
THR N   H2   sing N N 328 
THR CA  C    sing N N 329 
THR CA  CB   sing N N 330 
THR CA  HA   sing N N 331 
THR C   O    doub N N 332 
THR C   OXT  sing N N 333 
THR CB  OG1  sing N N 334 
THR CB  CG2  sing N N 335 
THR CB  HB   sing N N 336 
THR OG1 HG1  sing N N 337 
THR CG2 HG21 sing N N 338 
THR CG2 HG22 sing N N 339 
THR CG2 HG23 sing N N 340 
THR OXT HXT  sing N N 341 
TRP N   CA   sing N N 342 
TRP N   H    sing N N 343 
TRP N   H2   sing N N 344 
TRP CA  C    sing N N 345 
TRP CA  CB   sing N N 346 
TRP CA  HA   sing N N 347 
TRP C   O    doub N N 348 
TRP C   OXT  sing N N 349 
TRP CB  CG   sing N N 350 
TRP CB  HB2  sing N N 351 
TRP CB  HB3  sing N N 352 
TRP CG  CD1  doub Y N 353 
TRP CG  CD2  sing Y N 354 
TRP CD1 NE1  sing Y N 355 
TRP CD1 HD1  sing N N 356 
TRP CD2 CE2  doub Y N 357 
TRP CD2 CE3  sing Y N 358 
TRP NE1 CE2  sing Y N 359 
TRP NE1 HE1  sing N N 360 
TRP CE2 CZ2  sing Y N 361 
TRP CE3 CZ3  doub Y N 362 
TRP CE3 HE3  sing N N 363 
TRP CZ2 CH2  doub Y N 364 
TRP CZ2 HZ2  sing N N 365 
TRP CZ3 CH2  sing Y N 366 
TRP CZ3 HZ3  sing N N 367 
TRP CH2 HH2  sing N N 368 
TRP OXT HXT  sing N N 369 
TYR N   CA   sing N N 370 
TYR N   H    sing N N 371 
TYR N   H2   sing N N 372 
TYR CA  C    sing N N 373 
TYR CA  CB   sing N N 374 
TYR CA  HA   sing N N 375 
TYR C   O    doub N N 376 
TYR C   OXT  sing N N 377 
TYR CB  CG   sing N N 378 
TYR CB  HB2  sing N N 379 
TYR CB  HB3  sing N N 380 
TYR CG  CD1  doub Y N 381 
TYR CG  CD2  sing Y N 382 
TYR CD1 CE1  sing Y N 383 
TYR CD1 HD1  sing N N 384 
TYR CD2 CE2  doub Y N 385 
TYR CD2 HD2  sing N N 386 
TYR CE1 CZ   doub Y N 387 
TYR CE1 HE1  sing N N 388 
TYR CE2 CZ   sing Y N 389 
TYR CE2 HE2  sing N N 390 
TYR CZ  OH   sing N N 391 
TYR OH  HH   sing N N 392 
TYR OXT HXT  sing N N 393 
VAL N   CA   sing N N 394 
VAL N   H    sing N N 395 
VAL N   H2   sing N N 396 
VAL CA  C    sing N N 397 
VAL CA  CB   sing N N 398 
VAL CA  HA   sing N N 399 
VAL C   O    doub N N 400 
VAL C   OXT  sing N N 401 
VAL CB  CG1  sing N N 402 
VAL CB  CG2  sing N N 403 
VAL CB  HB   sing N N 404 
VAL CG1 HG11 sing N N 405 
VAL CG1 HG12 sing N N 406 
VAL CG1 HG13 sing N N 407 
VAL CG2 HG21 sing N N 408 
VAL CG2 HG22 sing N N 409 
VAL CG2 HG23 sing N N 410 
VAL OXT HXT  sing N N 411 
# 
_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                    7HNT 
_atom_sites.fract_transf_matrix[1][1]   0.010467 
_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]   0.010467 
_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]   0.021800 
_atom_sites.fract_transf_vector[1]      0.000000 
_atom_sites.fract_transf_vector[2]      0.000000 
_atom_sites.fract_transf_vector[3]      0.000000 
# 
loop_
_atom_type.symbol 
C 
N 
O 
S 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N   . HIS A 1 2   ? -13.446 -12.493 -10.004 1.00 52.09 ? 8   HIS B N   1 
ATOM   2    C CA  . HIS A 1 2   ? -12.896 -13.285 -11.162 1.00 48.79 ? 8   HIS B CA  1 
ATOM   3    C C   . HIS A 1 2   ? -11.749 -12.511 -11.826 1.00 47.26 ? 8   HIS B C   1 
ATOM   4    O O   . HIS A 1 2   ? -11.553 -11.316 -11.488 1.00 49.09 ? 8   HIS B O   1 
ATOM   5    C CB  . HIS A 1 2   ? -14.009 -13.611 -12.176 1.00 42.63 ? 8   HIS B CB  1 
ATOM   6    C CG  . HIS A 1 2   ? -14.589 -12.411 -12.850 1.00 39.14 ? 8   HIS B CG  1 
ATOM   7    N ND1 . HIS A 1 2   ? -14.004 -11.840 -13.967 1.00 37.48 ? 8   HIS B ND1 1 
ATOM   8    C CD2 . HIS A 1 2   ? -15.691 -11.673 -12.584 1.00 35.80 ? 8   HIS B CD2 1 
ATOM   9    C CE1 . HIS A 1 2   ? -14.713 -10.791 -14.351 1.00 36.86 ? 8   HIS B CE1 1 
ATOM   10   N NE2 . HIS A 1 2   ? -15.752 -10.656 -13.511 1.00 32.06 ? 8   HIS B NE2 1 
ATOM   11   N N   . HIS A 1 3   ? -11.072 -13.147 -12.784 1.00 42.03 ? 9   HIS B N   1 
ATOM   12   C CA  . HIS A 1 3   ? -9.898  -12.596 -13.511 1.00 41.06 ? 9   HIS B CA  1 
ATOM   13   C C   . HIS A 1 3   ? -10.107 -12.698 -15.030 1.00 36.76 ? 9   HIS B C   1 
ATOM   14   O O   . HIS A 1 3   ? -9.103  -12.910 -15.741 1.00 35.19 ? 9   HIS B O   1 
ATOM   15   C CB  . HIS A 1 3   ? -8.634  -13.298 -12.980 1.00 48.98 ? 9   HIS B CB  1 
ATOM   16   C CG  . HIS A 1 3   ? -8.491  -13.158 -11.496 1.00 58.09 ? 9   HIS B CG  1 
ATOM   17   N ND1 . HIS A 1 3   ? -8.021  -11.993 -10.900 1.00 60.17 ? 9   HIS B ND1 1 
ATOM   18   C CD2 . HIS A 1 3   ? -8.793  -14.003 -10.484 1.00 63.95 ? 9   HIS B CD2 1 
ATOM   19   C CE1 . HIS A 1 3   ? -8.021  -12.137 -9.589  1.00 64.10 ? 9   HIS B CE1 1 
ATOM   20   N NE2 . HIS A 1 3   ? -8.484  -13.366 -9.308  1.00 67.19 ? 9   HIS B NE2 1 
ATOM   21   N N   . HIS A 1 4   ? -11.349 -12.499 -15.518 1.00 29.54 ? 10  HIS B N   1 
ATOM   22   C CA  . HIS A 1 4   ? -11.759 -12.696 -16.943 1.00 26.25 ? 10  HIS B CA  1 
ATOM   23   C C   . HIS A 1 4   ? -11.720 -11.363 -17.698 1.00 27.17 ? 10  HIS B C   1 
ATOM   24   O O   . HIS A 1 4   ? -11.873 -11.360 -18.935 1.00 24.44 ? 10  HIS B O   1 
ATOM   25   C CB  . HIS A 1 4   ? -13.169 -13.326 -17.043 1.00 25.65 ? 10  HIS B CB  1 
ATOM   26   C CG  . HIS A 1 4   ? -13.282 -14.700 -16.464 1.00 26.05 ? 10  HIS B CG  1 
ATOM   27   N ND1 . HIS A 1 4   ? -12.363 -15.708 -16.749 1.00 25.36 ? 10  HIS B ND1 1 
ATOM   28   C CD2 . HIS A 1 4   ? -14.191 -15.252 -15.628 1.00 25.48 ? 10  HIS B CD2 1 
ATOM   29   C CE1 . HIS A 1 4   ? -12.707 -16.809 -16.107 1.00 30.13 ? 10  HIS B CE1 1 
ATOM   30   N NE2 . HIS A 1 4   ? -13.818 -16.553 -15.416 1.00 28.89 ? 10  HIS B NE2 1 
ATOM   31   N N   . HIS A 1 5   ? -11.518 -10.252 -16.991 1.00 28.26 ? 11  HIS B N   1 
ATOM   32   C CA  . HIS A 1 5   ? -11.648 -8.883  -17.554 1.00 28.85 ? 11  HIS B CA  1 
ATOM   33   C C   . HIS A 1 5   ? -10.777 -8.684  -18.804 1.00 27.62 ? 11  HIS B C   1 
ATOM   34   O O   . HIS A 1 5   ? -11.233 -7.984  -19.713 1.00 28.81 ? 11  HIS B O   1 
ATOM   35   C CB  . HIS A 1 5   ? -11.341 -7.805  -16.497 1.00 33.85 ? 11  HIS B CB  1 
ATOM   36   C CG  . HIS A 1 5   ? -12.182 -7.932  -15.277 1.00 38.70 ? 11  HIS B CG  1 
ATOM   37   N ND1 . HIS A 1 5   ? -11.821 -8.756  -14.211 1.00 42.85 ? 11  HIS B ND1 1 
ATOM   38   C CD2 . HIS A 1 5   ? -13.372 -7.374  -14.949 1.00 40.18 ? 11  HIS B CD2 1 
ATOM   39   C CE1 . HIS A 1 5   ? -12.748 -8.684  -13.269 1.00 45.42 ? 11  HIS B CE1 1 
ATOM   40   N NE2 . HIS A 1 5   ? -13.719 -7.846  -13.703 1.00 43.66 ? 11  HIS B NE2 1 
ATOM   41   N N   . HIS A 1 6   ? -9.587  -9.300  -18.872 1.00 26.40 ? 12  HIS B N   1 
ATOM   42   C CA  . HIS A 1 6   ? -8.618  -9.141  -19.989 1.00 26.18 ? 12  HIS B CA  1 
ATOM   43   C C   . HIS A 1 6   ? -9.123  -9.774  -21.291 1.00 25.36 ? 12  HIS B C   1 
ATOM   44   O O   . HIS A 1 6   ? -8.502  -9.563  -22.348 1.00 26.46 ? 12  HIS B O   1 
ATOM   45   C CB  . HIS A 1 6   ? -7.244  -9.666  -19.556 1.00 30.64 ? 12  HIS B CB  1 
ATOM   46   C CG  . HIS A 1 6   ? -7.217  -11.111 -19.215 1.00 28.89 ? 12  HIS B CG  1 
ATOM   47   N ND1 . HIS A 1 6   ? -6.612  -12.052 -20.033 1.00 36.96 ? 12  HIS B ND1 1 
ATOM   48   C CD2 . HIS A 1 6   ? -7.668  -11.785 -18.137 1.00 31.78 ? 12  HIS B CD2 1 
ATOM   49   C CE1 . HIS A 1 6   ? -6.703  -13.242 -19.477 1.00 30.86 ? 12  HIS B CE1 1 
ATOM   50   N NE2 . HIS A 1 6   ? -7.354  -13.113 -18.320 1.00 35.04 ? 12  HIS B NE2 1 
ATOM   51   N N   . HIS A 1 7   ? -10.197 -10.567 -21.253 1.00 22.11 ? 13  HIS B N   1 
ATOM   52   C CA  . HIS A 1 7   ? -10.862 -11.130 -22.462 1.00 19.03 ? 13  HIS B CA  1 
ATOM   53   C C   . HIS A 1 7   ? -11.972 -10.194 -22.930 1.00 17.07 ? 13  HIS B C   1 
ATOM   54   O O   . HIS A 1 7   ? -12.773 -10.642 -23.736 1.00 17.01 ? 13  HIS B O   1 
ATOM   55   C CB  . HIS A 1 7   ? -11.405 -12.513 -22.175 1.00 18.76 ? 13  HIS B CB  1 
ATOM   56   C CG  . HIS A 1 7   ? -10.336 -13.486 -21.774 1.00 19.10 ? 13  HIS B CG  1 
ATOM   57   N ND1 . HIS A 1 7   ? -9.304  -13.820 -22.640 1.00 20.62 ? 13  HIS B ND1 1 
ATOM   58   C CD2 . HIS A 1 7   ? -10.171 -14.182 -20.640 1.00 19.89 ? 13  HIS B CD2 1 
ATOM   59   C CE1 . HIS A 1 7   ? -8.526  -14.687 -22.026 1.00 19.51 ? 13  HIS B CE1 1 
ATOM   60   N NE2 . HIS A 1 7   ? -9.013  -14.921 -20.809 1.00 21.97 ? 13  HIS B NE2 1 
ATOM   61   N N   . MET A 1 8   ? -12.016 -8.967  -22.429 1.00 17.77 ? 14  MET B N   1 
ATOM   62   C CA  . MET A 1 8   ? -13.059 -7.981  -22.803 1.00 20.65 ? 14  MET B CA  1 
ATOM   63   C C   . MET A 1 8   ? -13.156 -7.860  -24.322 1.00 19.42 ? 14  MET B C   1 
ATOM   64   O O   . MET A 1 8   ? -12.112 -7.720  -25.046 1.00 21.85 ? 14  MET B O   1 
ATOM   65   C CB  . MET A 1 8   ? -12.733 -6.613  -22.196 1.00 24.41 ? 14  MET B CB  1 
ATOM   66   C CG  . MET A 1 8   ? -13.792 -5.530  -22.427 1.00 29.71 ? 14  MET B CG  1 
ATOM   67   S SD  . MET A 1 8   ? -15.350 -5.781  -21.484 1.00 41.04 ? 14  MET B SD  1 
ATOM   68   C CE  . MET A 1 8   ? -14.876 -5.140  -19.883 1.00 34.65 ? 14  MET B CE  1 
ATOM   69   N N   . VAL A 1 9   ? -14.377 -7.854  -24.834 1.00 17.24 ? 15  VAL B N   1 
ATOM   70   C CA  . VAL A 1 9   ? -14.704 -7.648  -26.272 1.00 17.72 ? 15  VAL B CA  1 
ATOM   71   C C   . VAL A 1 9   ? -15.694 -6.471  -26.360 1.00 18.67 ? 15  VAL B C   1 
ATOM   72   O O   . VAL A 1 9   ? -16.564 -6.315  -25.472 1.00 17.51 ? 15  VAL B O   1 
ATOM   73   C CB  . VAL A 1 9   ? -15.229 -8.908  -26.985 1.00 19.06 ? 15  VAL B CB  1 
ATOM   74   C CG1 . VAL A 1 9   ? -14.144 -9.957  -27.158 1.00 21.35 ? 15  VAL B CG1 1 
ATOM   75   C CG2 . VAL A 1 9   ? -16.421 -9.514  -26.269 1.00 19.34 ? 15  VAL B CG2 1 
ATOM   76   N N   . HIS A 1 10  ? -15.598 -5.672  -27.409 1.00 18.04 ? 16  HIS B N   1 
ATOM   77   C CA  . HIS A 1 10  ? -16.481 -4.511  -27.665 1.00 18.88 ? 16  HIS B CA  1 
ATOM   78   C C   . HIS A 1 10  ? -17.703 -5.012  -28.426 1.00 19.01 ? 16  HIS B C   1 
ATOM   79   O O   . HIS A 1 10  ? -17.584 -5.383  -29.576 1.00 21.87 ? 16  HIS B O   1 
ATOM   80   C CB  . HIS A 1 10  ? -15.738 -3.442  -28.466 1.00 18.64 ? 16  HIS B CB  1 
ATOM   81   C CG  . HIS A 1 10  ? -16.516 -2.185  -28.667 1.00 23.33 ? 16  HIS B CG  1 
ATOM   82   N ND1 . HIS A 1 10  ? -16.630 -1.242  -27.671 1.00 26.07 ? 16  HIS B ND1 1 
ATOM   83   C CD2 . HIS A 1 10  ? -17.219 -1.740  -29.729 1.00 26.69 ? 16  HIS B CD2 1 
ATOM   84   C CE1 . HIS A 1 10  ? -17.364 -0.233  -28.117 1.00 25.37 ? 16  HIS B CE1 1 
ATOM   85   N NE2 . HIS A 1 10  ? -17.749 -0.528  -29.384 1.00 28.83 ? 16  HIS B NE2 1 
ATOM   86   N N   . ILE A 1 11  ? -18.830 -5.148  -27.742 1.00 15.16 ? 17  ILE B N   1 
ATOM   87   C CA  . ILE A 1 11  ? -20.078 -5.649  -28.364 1.00 16.01 ? 17  ILE B CA  1 
ATOM   88   C C   . ILE A 1 11  ? -20.883 -4.457  -28.916 1.00 14.96 ? 17  ILE B C   1 
ATOM   89   O O   . ILE A 1 11  ? -20.947 -3.445  -28.243 1.00 15.09 ? 17  ILE B O   1 
ATOM   90   C CB  . ILE A 1 11  ? -20.887 -6.468  -27.346 1.00 14.93 ? 17  ILE B CB  1 
ATOM   91   C CG1 . ILE A 1 11  ? -20.100 -7.675  -26.815 1.00 15.76 ? 17  ILE B CG1 1 
ATOM   92   C CG2 . ILE A 1 11  ? -22.208 -6.880  -27.967 1.00 15.23 ? 17  ILE B CG2 1 
ATOM   93   C CD1 . ILE A 1 11  ? -19.529 -8.564  -27.885 1.00 15.91 ? 17  ILE B CD1 1 
ATOM   94   N N   . THR A 1 12  ? -21.486 -4.667  -30.064 1.00 14.31 ? 18  THR B N   1 
ATOM   95   C CA  . THR A 1 12  ? -22.469 -3.687  -30.618 1.00 14.75 ? 18  THR B CA  1 
ATOM   96   C C   . THR A 1 12  ? -23.732 -4.443  -30.994 1.00 14.98 ? 18  THR B C   1 
ATOM   97   O O   . THR A 1 12  ? -23.687 -5.655  -31.277 1.00 15.93 ? 18  THR B O   1 
ATOM   98   C CB  . THR A 1 12  ? -21.899 -2.905  -31.807 1.00 17.74 ? 18  THR B CB  1 
ATOM   99   O OG1 . THR A 1 12  ? -21.548 -3.811  -32.844 1.00 18.71 ? 18  THR B OG1 1 
ATOM   100  C CG2 . THR A 1 12  ? -20.739 -1.999  -31.435 1.00 19.58 ? 18  THR B CG2 1 
ATOM   101  N N   . LEU A 1 13  ? -24.876 -3.742  -30.967 1.00 13.71 ? 19  LEU B N   1 
ATOM   102  C CA  . LEU A 1 13  ? -26.172 -4.384  -31.255 1.00 13.35 ? 19  LEU B CA  1 
ATOM   103  C C   . LEU A 1 13  ? -26.470 -4.408  -32.751 1.00 13.36 ? 19  LEU B C   1 
ATOM   104  O O   . LEU A 1 13  ? -26.167 -3.378  -33.441 1.00 15.20 ? 19  LEU B O   1 
ATOM   105  C CB  . LEU A 1 13  ? -27.248 -3.629  -30.487 1.00 13.65 ? 19  LEU B CB  1 
ATOM   106  C CG  . LEU A 1 13  ? -27.046 -3.678  -28.985 1.00 13.10 ? 19  LEU B CG  1 
ATOM   107  C CD1 . LEU A 1 13  ? -28.052 -2.803  -28.233 1.00 15.51 ? 19  LEU B CD1 1 
ATOM   108  C CD2 . LEU A 1 13  ? -27.096 -5.127  -28.481 1.00 14.96 ? 19  LEU B CD2 1 
ATOM   109  N N   . ASP A 1 14  ? -27.055 -5.454  -33.243 1.00 12.56 ? 20  ASP B N   1 
ATOM   110  C CA  . ASP A 1 14  ? -27.438 -5.614  -34.661 1.00 12.84 ? 20  ASP B CA  1 
ATOM   111  C C   . ASP A 1 14  ? -28.935 -5.231  -34.815 1.00 13.85 ? 20  ASP B C   1 
ATOM   112  O O   . ASP A 1 14  ? -29.819 -6.024  -34.505 1.00 13.11 ? 20  ASP B O   1 
ATOM   113  C CB  . ASP A 1 14  ? -27.182 -7.040  -35.145 1.00 12.82 ? 20  ASP B CB  1 
ATOM   114  C CG  . ASP A 1 14  ? -27.537 -7.329  -36.593 1.00 16.80 ? 20  ASP B CG  1 
ATOM   115  O OD1 . ASP A 1 14  ? -28.184 -6.442  -37.210 1.00 16.88 ? 20  ASP B OD1 1 
ATOM   116  O OD2 . ASP A 1 14  ? -27.278 -8.440  -37.105 1.00 16.03 ? 20  ASP B OD2 1 
ATOM   117  N N   A ARG A 1 15  ? -29.162 -4.002  -35.301 0.25 14.81 ? 21  ARG B N   1 
ATOM   118  N N   B ARG A 1 15  ? -29.175 -4.010  -35.311 0.25 15.34 ? 21  ARG B N   1 
ATOM   119  C CA  A ARG A 1 15  ? -30.496 -3.393  -35.575 0.25 15.59 ? 21  ARG B CA  1 
ATOM   120  C CA  B ARG A 1 15  ? -30.529 -3.421  -35.517 0.25 16.41 ? 21  ARG B CA  1 
ATOM   121  C C   A ARG A 1 15  ? -31.406 -4.334  -36.362 0.25 15.36 ? 21  ARG B C   1 
ATOM   122  C C   B ARG A 1 15  ? -31.419 -4.334  -36.366 0.25 15.86 ? 21  ARG B C   1 
ATOM   123  O O   A ARG A 1 15  ? -32.618 -4.329  -36.111 0.25 14.91 ? 21  ARG B O   1 
ATOM   124  O O   B ARG A 1 15  ? -32.636 -4.332  -36.144 0.25 15.31 ? 21  ARG B O   1 
ATOM   125  C CB  A ARG A 1 15  ? -30.329 -2.121  -36.416 0.25 17.06 ? 21  ARG B CB  1 
ATOM   126  C CB  B ARG A 1 15  ? -30.417 -2.056  -36.207 0.25 18.95 ? 21  ARG B CB  1 
ATOM   127  C CG  A ARG A 1 15  ? -29.621 -0.990  -35.690 0.25 18.77 ? 21  ARG B CG  1 
ATOM   128  C CG  B ARG A 1 15  ? -29.985 -0.931  -35.280 0.25 21.28 ? 21  ARG B CG  1 
ATOM   129  C CD  A ARG A 1 15  ? -29.543 0.272   -36.544 0.25 19.42 ? 21  ARG B CD  1 
ATOM   130  C CD  B ARG A 1 15  ? -28.555 -0.475  -35.527 0.25 23.97 ? 21  ARG B CD  1 
ATOM   131  N NE  A ARG A 1 15  ? -28.903 1.335   -35.788 0.25 19.81 ? 21  ARG B NE  1 
ATOM   132  N NE  B ARG A 1 15  ? -28.412 0.570   -36.543 0.25 25.89 ? 21  ARG B NE  1 
ATOM   133  C CZ  A ARG A 1 15  ? -29.502 1.983   -34.810 0.25 19.39 ? 21  ARG B CZ  1 
ATOM   134  C CZ  B ARG A 1 15  ? -27.945 0.388   -37.779 0.25 28.17 ? 21  ARG B CZ  1 
ATOM   135  N NH1 A ARG A 1 15  ? -30.756 1.697   -34.521 0.25 21.22 ? 21  ARG B NH1 1 
ATOM   136  N NH1 B ARG A 1 15  ? -27.580 -0.810  -38.201 0.25 29.96 ? 21  ARG B NH1 1 
ATOM   137  N NH2 A ARG A 1 15  ? -28.867 2.918   -34.135 0.25 20.74 ? 21  ARG B NH2 1 
ATOM   138  N NH2 B ARG A 1 15  ? -27.859 1.415   -38.604 0.25 29.76 ? 21  ARG B NH2 1 
ATOM   139  N N   . ASN A 1 16  ? -30.849 -5.078  -37.318 1.00 14.78 ? 22  ASN B N   1 
ATOM   140  C CA  . ASN A 1 16  ? -31.647 -5.913  -38.230 1.00 16.27 ? 22  ASN B CA  1 
ATOM   141  C C   . ASN A 1 16  ? -32.338 -7.058  -37.494 1.00 14.37 ? 22  ASN B C   1 
ATOM   142  O O   . ASN A 1 16  ? -33.316 -7.591  -37.985 1.00 14.44 ? 22  ASN B O   1 
ATOM   143  C CB  . ASN A 1 16  ? -30.794 -6.406  -39.410 1.00 19.78 ? 22  ASN B CB  1 
ATOM   144  C CG  . ASN A 1 16  ? -30.517 -5.299  -40.414 1.00 28.16 ? 22  ASN B CG  1 
ATOM   145  O OD1 . ASN A 1 16  ? -31.267 -4.324  -40.515 1.00 34.93 ? 22  ASN B OD1 1 
ATOM   146  N ND2 . ASN A 1 16  ? -29.433 -5.440  -41.157 1.00 39.84 ? 22  ASN B ND2 1 
ATOM   147  N N   . THR A 1 17  ? -31.784 -7.478  -36.326 1.00 12.50 ? 23  THR B N   1 
ATOM   148  C CA  . THR A 1 17  ? -32.330 -8.580  -35.514 1.00 12.32 ? 23  THR B CA  1 
ATOM   149  C C   . THR A 1 17  ? -33.363 -8.087  -34.500 1.00 10.87 ? 23  THR B C   1 
ATOM   150  O O   . THR A 1 17  ? -34.036 -8.928  -33.888 1.00 11.72 ? 23  THR B O   1 
ATOM   151  C CB  . THR A 1 17  ? -31.238 -9.386  -34.783 1.00 12.57 ? 23  THR B CB  1 
ATOM   152  O OG1 . THR A 1 17  ? -30.674 -8.594  -33.739 1.00 12.91 ? 23  THR B OG1 1 
ATOM   153  C CG2 . THR A 1 17  ? -30.226 -9.947  -35.768 1.00 13.15 ? 23  THR B CG2 1 
ATOM   154  N N   . ALA A 1 18  ? -33.413 -6.784  -34.300 1.00 11.47 ? 24  ALA B N   1 
ATOM   155  C CA  . ALA A 1 18  ? -34.195 -6.218  -33.178 1.00 11.15 ? 24  ALA B CA  1 
ATOM   156  C C   . ALA A 1 18  ? -35.690 -6.421  -33.386 1.00 11.62 ? 24  ALA B C   1 
ATOM   157  O O   . ALA A 1 18  ? -36.225 -6.157  -34.501 1.00 12.98 ? 24  ALA B O   1 
ATOM   158  C CB  . ALA A 1 18  ? -33.867 -4.779  -33.001 1.00 11.43 ? 24  ALA B CB  1 
ATOM   159  N N   . ASN A 1 19  ? -36.429 -6.683  -32.343 1.00 11.55 ? 25  ASN B N   1 
ATOM   160  C CA  . ASN A 1 19  ? -37.893 -6.492  -32.350 1.00 11.42 ? 25  ASN B CA  1 
ATOM   161  C C   . ASN A 1 19  ? -38.158 -5.043  -32.808 1.00 11.41 ? 25  ASN B C   1 
ATOM   162  O O   . ASN A 1 19  ? -37.426 -4.109  -32.492 1.00 11.17 ? 25  ASN B O   1 
ATOM   163  C CB  . ASN A 1 19  ? -38.414 -6.803  -30.961 1.00 12.72 ? 25  ASN B CB  1 
ATOM   164  C CG  . ASN A 1 19  ? -39.896 -6.566  -30.826 1.00 13.72 ? 25  ASN B CG  1 
ATOM   165  O OD1 . ASN A 1 19  ? -40.320 -5.429  -30.715 1.00 13.46 ? 25  ASN B OD1 1 
ATOM   166  N ND2 . ASN A 1 19  ? -40.629 -7.619  -30.591 1.00 17.47 ? 25  ASN B ND2 1 
ATOM   167  N N   . SER A 1 20  ? -39.230 -4.895  -33.592 1.00 11.18 ? 26  SER B N   1 
ATOM   168  C CA  . SER A 1 20  ? -39.579 -3.625  -34.270 1.00 11.27 ? 26  SER B CA  1 
ATOM   169  C C   . SER A 1 20  ? -39.959 -2.528  -33.285 1.00 11.33 ? 26  SER B C   1 
ATOM   170  O O   . SER A 1 20  ? -40.056 -1.383  -33.752 1.00 12.83 ? 26  SER B O   1 
ATOM   171  C CB  . SER A 1 20  ? -40.702 -3.862  -35.247 1.00 12.49 ? 26  SER B CB  1 
ATOM   172  O OG  . SER A 1 20  ? -41.826 -4.321  -34.542 1.00 15.25 ? 26  SER B OG  1 
ATOM   173  N N   . TRP A 1 21  ? -40.144 -2.789  -31.996 1.00 10.73 ? 27  TRP B N   1 
ATOM   174  C CA  . TRP A 1 21  ? -40.445 -1.749  -30.993 1.00 10.95 ? 27  TRP B CA  1 
ATOM   175  C C   . TRP A 1 21  ? -39.197 -1.244  -30.276 1.00 11.46 ? 27  TRP B C   1 
ATOM   176  O O   . TRP A 1 21  ? -39.298 -0.317  -29.468 1.00 11.86 ? 27  TRP B O   1 
ATOM   177  C CB  . TRP A 1 21  ? -41.441 -2.264  -29.978 1.00 11.67 ? 27  TRP B CB  1 
ATOM   178  C CG  . TRP A 1 21  ? -42.842 -2.361  -30.527 1.00 11.85 ? 27  TRP B CG  1 
ATOM   179  C CD1 . TRP A 1 21  ? -43.239 -2.895  -31.721 1.00 11.76 ? 27  TRP B CD1 1 
ATOM   180  C CD2 . TRP A 1 21  ? -44.020 -1.933  -29.853 1.00 13.58 ? 27  TRP B CD2 1 
ATOM   181  N NE1 . TRP A 1 21  ? -44.612 -2.807  -31.828 1.00 13.88 ? 27  TRP B NE1 1 
ATOM   182  C CE2 . TRP A 1 21  ? -45.102 -2.246  -30.701 1.00 13.28 ? 27  TRP B CE2 1 
ATOM   183  C CE3 . TRP A 1 21  ? -44.266 -1.315  -28.631 1.00 15.56 ? 27  TRP B CE3 1 
ATOM   184  C CZ2 . TRP A 1 21  ? -46.430 -1.963  -30.337 1.00 15.80 ? 27  TRP B CZ2 1 
ATOM   185  C CZ3 . TRP A 1 21  ? -45.578 -1.072  -28.251 1.00 17.94 ? 27  TRP B CZ3 1 
ATOM   186  C CH2 . TRP A 1 21  ? -46.639 -1.415  -29.092 1.00 18.82 ? 27  TRP B CH2 1 
ATOM   187  N N   . LEU A 1 22  ? -38.018 -1.855  -30.568 1.00 11.03 ? 28  LEU B N   1 
ATOM   188  C CA  . LEU A 1 22  ? -36.791 -1.449  -29.834 1.00 11.28 ? 28  LEU B CA  1 
ATOM   189  C C   . LEU A 1 22  ? -36.197 -0.187  -30.441 1.00 11.71 ? 28  LEU B C   1 
ATOM   190  O O   . LEU A 1 22  ? -36.191 -0.024  -31.666 1.00 12.38 ? 28  LEU B O   1 
ATOM   191  C CB  . LEU A 1 22  ? -35.766 -2.586  -29.837 1.00 11.00 ? 28  LEU B CB  1 
ATOM   192  C CG  . LEU A 1 22  ? -36.207 -3.857  -29.111 1.00 11.93 ? 28  LEU B CG  1 
ATOM   193  C CD1 . LEU A 1 22  ? -35.117 -4.922  -29.127 1.00 11.37 ? 28  LEU B CD1 1 
ATOM   194  C CD2 . LEU A 1 22  ? -36.639 -3.599  -27.703 1.00 12.35 ? 28  LEU B CD2 1 
ATOM   195  N N   . ILE A 1 23  ? -35.588 0.594   -29.569 1.00 12.00 ? 29  ILE B N   1 
ATOM   196  C CA  . ILE A 1 23  ? -34.823 1.818   -29.931 1.00 13.48 ? 29  ILE B CA  1 
ATOM   197  C C   . ILE A 1 23  ? -33.368 1.579   -29.517 1.00 13.22 ? 29  ILE B C   1 
ATOM   198  O O   . ILE A 1 23  ? -33.067 1.465   -28.298 1.00 13.47 ? 29  ILE B O   1 
ATOM   199  C CB  . ILE A 1 23  ? -35.381 3.061   -29.265 1.00 14.37 ? 29  ILE B CB  1 
ATOM   200  C CG1 . ILE A 1 23  ? -36.861 3.300   -29.639 1.00 14.63 ? 29  ILE B CG1 1 
ATOM   201  C CG2 . ILE A 1 23  ? -34.512 4.274   -29.640 1.00 16.42 ? 29  ILE B CG2 1 
ATOM   202  C CD1 . ILE A 1 23  ? -37.497 4.370   -28.867 1.00 17.03 ? 29  ILE B CD1 1 
ATOM   203  N N   . ILE A 1 24  ? -32.525 1.450   -30.510 1.00 15.31 ? 30  ILE B N   1 
ATOM   204  C CA  . ILE A 1 24  ? -31.071 1.247   -30.300 1.00 14.92 ? 30  ILE B CA  1 
ATOM   205  C C   . ILE A 1 24  ? -30.361 2.568   -30.514 1.00 16.58 ? 30  ILE B C   1 
ATOM   206  O O   . ILE A 1 24  ? -30.619 3.302   -31.532 1.00 17.96 ? 30  ILE B O   1 
ATOM   207  C CB  . ILE A 1 24  ? -30.593 0.162   -31.243 1.00 16.02 ? 30  ILE B CB  1 
ATOM   208  C CG1 . ILE A 1 24  ? -31.186 -1.169  -30.818 1.00 19.01 ? 30  ILE B CG1 1 
ATOM   209  C CG2 . ILE A 1 24  ? -29.069 0.056   -31.301 1.00 16.14 ? 30  ILE B CG2 1 
ATOM   210  C CD1 . ILE A 1 24  ? -30.967 -2.225  -31.775 1.00 20.58 ? 30  ILE B CD1 1 
ATOM   211  N N   . SER A 1 25  ? -29.460 2.916   -29.639 1.00 16.37 ? 31  SER B N   1 
ATOM   212  C CA  . SER A 1 25  ? -28.758 4.208   -29.692 1.00 16.91 ? 31  SER B CA  1 
ATOM   213  C C   . SER A 1 25  ? -27.842 4.276   -30.927 1.00 14.95 ? 31  SER B C   1 
ATOM   214  O O   . SER A 1 25  ? -27.497 3.285   -31.533 1.00 15.90 ? 31  SER B O   1 
ATOM   215  C CB  . SER A 1 25  ? -27.996 4.397   -28.421 1.00 17.32 ? 31  SER B CB  1 
ATOM   216  O OG  . SER A 1 25  ? -27.049 3.326   -28.250 1.00 16.57 ? 31  SER B OG  1 
ATOM   217  N N   . LYS A 1 26  ? -27.466 5.514   -31.285 1.00 18.49 ? 32  LYS B N   1 
ATOM   218  C CA  . LYS A 1 26  ? -26.559 5.765   -32.439 1.00 18.95 ? 32  LYS B CA  1 
ATOM   219  C C   . LYS A 1 26  ? -25.281 4.920   -32.338 1.00 16.80 ? 32  LYS B C   1 
ATOM   220  O O   . LYS A 1 26  ? -24.865 4.401   -33.376 1.00 19.49 ? 32  LYS B O   1 
ATOM   221  C CB  . LYS A 1 26  ? -26.212 7.256   -32.499 1.00 21.86 ? 32  LYS B CB  1 
ATOM   222  C CG  . LYS A 1 26  ? -25.297 7.621   -33.641 1.00 23.68 ? 32  LYS B CG  1 
ATOM   223  C CD  . LYS A 1 26  ? -25.434 9.069   -33.968 1.00 25.19 ? 32  LYS B CD  1 
ATOM   224  C CE  . LYS A 1 26  ? -25.342 9.892   -32.715 1.00 28.16 ? 32  LYS B CE  1 
ATOM   225  N NZ  . LYS A 1 26  ? -25.264 11.310  -33.092 1.00 30.30 ? 32  LYS B NZ  1 
ATOM   226  N N   . ASP A 1 27  ? -24.701 4.825   -31.142 1.00 17.35 ? 33  ASP B N   1 
ATOM   227  C CA  . ASP A 1 27  ? -23.436 4.062   -30.965 1.00 17.39 ? 33  ASP B CA  1 
ATOM   228  C C   . ASP A 1 27  ? -23.684 2.542   -30.926 1.00 15.47 ? 33  ASP B C   1 
ATOM   229  O O   . ASP A 1 27  ? -22.686 1.796   -30.807 1.00 16.53 ? 33  ASP B O   1 
ATOM   230  C CB  . ASP A 1 27  ? -22.658 4.529   -29.741 1.00 17.96 ? 33  ASP B CB  1 
ATOM   231  C CG  . ASP A 1 27  ? -23.334 4.323   -28.401 1.00 18.82 ? 33  ASP B CG  1 
ATOM   232  O OD1 . ASP A 1 27  ? -24.416 3.681   -28.386 1.00 18.12 ? 33  ASP B OD1 1 
ATOM   233  O OD2 . ASP A 1 27  ? -22.736 4.747   -27.406 1.00 21.27 ? 33  ASP B OD2 1 
ATOM   234  N N   . ARG A 1 28  ? -24.923 2.069   -31.048 1.00 14.68 ? 34  ARG B N   1 
ATOM   235  C CA  . ARG A 1 28  ? -25.285 0.634   -31.017 1.00 14.60 ? 34  ARG B CA  1 
ATOM   236  C C   . ARG A 1 28  ? -24.832 -0.013  -29.700 1.00 12.52 ? 34  ARG B C   1 
ATOM   237  O O   . ARG A 1 28  ? -24.701 -1.242  -29.672 1.00 13.71 ? 34  ARG B O   1 
ATOM   238  C CB  . ARG A 1 28  ? -24.819 -0.065  -32.291 1.00 18.34 ? 34  ARG B CB  1 
ATOM   239  C CG  . ARG A 1 28  ? -25.461 0.574   -33.521 1.00 22.47 ? 34  ARG B CG  1 
ATOM   240  C CD  . ARG A 1 28  ? -25.111 -0.107  -34.804 1.00 30.34 ? 34  ARG B CD  1 
ATOM   241  N NE  . ARG A 1 28  ? -23.680 -0.250  -34.967 1.00 37.77 ? 34  ARG B NE  1 
ATOM   242  C CZ  . ARG A 1 28  ? -22.992 -1.398  -34.860 1.00 51.42 ? 34  ARG B CZ  1 
ATOM   243  N NH1 . ARG A 1 28  ? -23.594 -2.562  -34.606 1.00 49.85 ? 34  ARG B NH1 1 
ATOM   244  N NH2 . ARG A 1 28  ? -21.675 -1.374  -35.029 1.00 56.94 ? 34  ARG B NH2 1 
ATOM   245  N N   . ARG A 1 29  ? -24.810 0.732   -28.642 1.00 11.72 ? 35  ARG B N   1 
ATOM   246  C CA  . ARG A 1 29  ? -24.397 0.196   -27.325 1.00 13.29 ? 35  ARG B CA  1 
ATOM   247  C C   . ARG A 1 29  ? -25.518 0.205   -26.297 1.00 13.72 ? 35  ARG B C   1 
ATOM   248  O O   . ARG A 1 29  ? -25.332 -0.362  -25.203 1.00 14.76 ? 35  ARG B O   1 
ATOM   249  C CB  . ARG A 1 29  ? -23.215 0.976   -26.740 1.00 13.85 ? 35  ARG B CB  1 
ATOM   250  C CG  . ARG A 1 29  ? -21.961 0.922   -27.595 1.00 15.71 ? 35  ARG B CG  1 
ATOM   251  C CD  . ARG A 1 29  ? -21.095 -0.286  -27.375 1.00 16.88 ? 35  ARG B CD  1 
ATOM   252  N NE  . ARG A 1 29  ? -20.342 -0.123  -26.135 1.00 18.45 ? 35  ARG B NE  1 
ATOM   253  C CZ  . ARG A 1 29  ? -19.643 -1.080  -25.523 1.00 17.25 ? 35  ARG B CZ  1 
ATOM   254  N NH1 . ARG A 1 29  ? -19.554 -2.249  -26.093 1.00 17.69 ? 35  ARG B NH1 1 
ATOM   255  N NH2 . ARG A 1 29  ? -18.980 -0.807  -24.414 1.00 19.29 ? 35  ARG B NH2 1 
ATOM   256  N N   . GLN A 1 30  ? -26.656 0.816   -26.570 1.00 12.78 ? 36  GLN B N   1 
ATOM   257  C CA  . GLN A 1 30  ? -27.820 0.846   -25.662 1.00 13.57 ? 36  GLN B CA  1 
ATOM   258  C C   . GLN A 1 30  ? -29.081 0.443   -26.402 1.00 11.67 ? 36  GLN B C   1 
ATOM   259  O O   . GLN A 1 30  ? -29.226 0.737   -27.616 1.00 12.76 ? 36  GLN B O   1 
ATOM   260  C CB  . GLN A 1 30  ? -28.036 2.246   -25.086 1.00 15.68 ? 36  GLN B CB  1 
ATOM   261  C CG  . GLN A 1 30  ? -26.785 2.841   -24.491 1.00 18.20 ? 36  GLN B CG  1 
ATOM   262  C CD  . GLN A 1 30  ? -27.096 4.094   -23.691 1.00 21.39 ? 36  GLN B CD  1 
ATOM   263  O OE1 . GLN A 1 30  ? -28.243 4.356   -23.310 1.00 24.94 ? 36  GLN B OE1 1 
ATOM   264  N NE2 . GLN A 1 30  ? -26.067 4.876   -23.460 1.00 27.36 ? 36  GLN B NE2 1 
ATOM   265  N N   . VAL A 1 31  ? -30.039 -0.110  -25.670 1.00 11.51 ? 37  VAL B N   1 
ATOM   266  C CA  . VAL A 1 31  ? -31.346 -0.495  -26.262 1.00 11.29 ? 37  VAL B CA  1 
ATOM   267  C C   . VAL A 1 31  ? -32.418 -0.320  -25.212 1.00 12.22 ? 37  VAL B C   1 
ATOM   268  O O   . VAL A 1 31  ? -32.220 -0.726  -24.071 1.00 11.83 ? 37  VAL B O   1 
ATOM   269  C CB  . VAL A 1 31  ? -31.291 -1.901  -26.868 1.00 10.49 ? 37  VAL B CB  1 
ATOM   270  C CG1 . VAL A 1 31  ? -30.866 -2.986  -25.851 1.00 11.06 ? 37  VAL B CG1 1 
ATOM   271  C CG2 . VAL A 1 31  ? -32.599 -2.284  -27.534 1.00 11.66 ? 37  VAL B CG2 1 
ATOM   272  N N   . ARG A 1 32  ? -33.564 0.202   -25.615 1.00 11.96 ? 38  ARG B N   1 
ATOM   273  C CA  . ARG A 1 32  ? -34.726 0.247   -24.719 1.00 12.34 ? 38  ARG B CA  1 
ATOM   274  C C   . ARG A 1 32  ? -35.987 -0.033  -25.543 1.00 12.40 ? 38  ARG B C   1 
ATOM   275  O O   . ARG A 1 32  ? -36.005 0.087   -26.773 1.00 11.93 ? 38  ARG B O   1 
ATOM   276  C CB  . ARG A 1 32  ? -34.844 1.572   -23.978 1.00 14.65 ? 38  ARG B CB  1 
ATOM   277  C CG  . ARG A 1 32  ? -35.103 2.746   -24.896 1.00 17.17 ? 38  ARG B CG  1 
ATOM   278  C CD  . ARG A 1 32  ? -35.107 4.014   -24.055 1.00 19.68 ? 38  ARG B CD  1 
ATOM   279  N NE  . ARG A 1 32  ? -35.363 5.162   -24.904 1.00 24.61 ? 38  ARG B NE  1 
ATOM   280  C CZ  . ARG A 1 32  ? -36.544 5.622   -25.263 1.00 20.39 ? 38  ARG B CZ  1 
ATOM   281  N NH1 . ARG A 1 32  ? -37.668 5.094   -24.822 1.00 22.53 ? 38  ARG B NH1 1 
ATOM   282  N NH2 . ARG A 1 32  ? -36.578 6.671   -26.093 1.00 26.09 ? 38  ARG B NH2 1 
ATOM   283  N N   A MET A 1 33  ? -37.034 -0.371  -24.795 0.25 11.50 ? 39  MET B N   1 
ATOM   284  N N   B MET A 1 33  ? -37.051 -0.463  -24.871 0.25 12.79 ? 39  MET B N   1 
ATOM   285  C CA  A MET A 1 33  ? -38.399 -0.621  -25.318 0.25 12.46 ? 39  MET B CA  1 
ATOM   286  C CA  B MET A 1 33  ? -38.313 -0.750  -25.602 0.25 14.15 ? 39  MET B CA  1 
ATOM   287  C C   A MET A 1 33  ? -39.034 0.729   -25.679 0.25 11.99 ? 39  MET B C   1 
ATOM   288  C C   B MET A 1 33  ? -39.127 0.540   -25.683 0.25 13.08 ? 39  MET B C   1 
ATOM   289  O O   A MET A 1 33  ? -39.061 1.633   -24.844 0.25 12.96 ? 39  MET B O   1 
ATOM   290  O O   B MET A 1 33  ? -39.468 1.109   -24.607 0.25 13.15 ? 39  MET B O   1 
ATOM   291  C CB  A MET A 1 33  ? -39.222 -1.359  -24.257 0.25 12.36 ? 39  MET B CB  1 
ATOM   292  C CB  B MET A 1 33  ? -39.179 -1.848  -24.978 0.25 16.00 ? 39  MET B CB  1 
ATOM   293  C CG  A MET A 1 33  ? -40.578 -1.899  -24.745 0.25 13.15 ? 39  MET B CG  1 
ATOM   294  C CG  B MET A 1 33  ? -40.498 -2.075  -25.772 0.25 17.64 ? 39  MET B CG  1 
ATOM   295  S SD  A MET A 1 33  ? -40.449 -2.949  -26.258 0.25 15.04 ? 39  MET B SD  1 
ATOM   296  S SD  B MET A 1 33  ? -41.350 -3.555  -25.208 0.25 20.47 ? 39  MET B SD  1 
ATOM   297  C CE  A MET A 1 33  ? -42.047 -3.756  -26.330 0.25 14.17 ? 39  MET B CE  1 
ATOM   298  C CE  B MET A 1 33  ? -42.712 -3.558  -26.373 0.25 19.96 ? 39  MET B CE  1 
ATOM   299  N N   . GLY A 1 34  ? -39.434 0.907   -26.933 1.00 12.86 ? 40  GLY B N   1 
ATOM   300  C CA  . GLY A 1 34  ? -40.262 2.074   -27.289 1.00 14.39 ? 40  GLY B CA  1 
ATOM   301  C C   . GLY A 1 34  ? -41.723 1.847   -26.920 1.00 15.96 ? 40  GLY B C   1 
ATOM   302  O O   . GLY A 1 34  ? -42.107 0.765   -26.481 1.00 16.08 ? 40  GLY B O   1 
ATOM   303  N N   . ASP A 1 35  ? -42.505 2.933   -26.927 1.00 19.74 ? 41  ASP B N   1 
ATOM   304  C CA  . ASP A 1 35  ? -43.956 2.850   -26.552 1.00 20.16 ? 41  ASP B CA  1 
ATOM   305  C C   . ASP A 1 35  ? -44.791 2.534   -27.811 1.00 19.92 ? 41  ASP B C   1 
ATOM   306  O O   . ASP A 1 35  ? -46.026 2.413   -27.674 1.00 20.31 ? 41  ASP B O   1 
ATOM   307  C CB  . ASP A 1 35  ? -44.420 4.111   -25.785 1.00 25.14 ? 41  ASP B CB  1 
ATOM   308  C CG  . ASP A 1 35  ? -43.961 4.217   -24.315 1.00 34.49 ? 41  ASP B CG  1 
ATOM   309  O OD1 . ASP A 1 35  ? -43.789 3.160   -23.645 1.00 36.73 ? 41  ASP B OD1 1 
ATOM   310  O OD2 . ASP A 1 35  ? -43.816 5.365   -23.806 1.00 34.61 ? 41  ASP B OD2 1 
ATOM   311  N N   . THR A 1 36  ? -44.171 2.300   -28.966 1.00 16.03 ? 42  THR B N   1 
ATOM   312  C CA  . THR A 1 36  ? -44.847 2.022   -30.273 1.00 15.46 ? 42  THR B CA  1 
ATOM   313  C C   . THR A 1 36  ? -43.900 1.328   -31.267 1.00 13.49 ? 42  THR B C   1 
ATOM   314  O O   . THR A 1 36  ? -42.619 1.280   -31.072 1.00 13.33 ? 42  THR B O   1 
ATOM   315  C CB  . THR A 1 36  ? -45.368 3.361   -30.763 1.00 16.75 ? 42  THR B CB  1 
ATOM   316  O OG1 . THR A 1 36  ? -46.272 3.090   -31.810 1.00 18.30 ? 42  THR B OG1 1 
ATOM   317  C CG2 . THR A 1 36  ? -44.239 4.264   -31.198 1.00 18.06 ? 42  THR B CG2 1 
ATOM   318  N N   . HIS A 1 37  ? -44.392 0.846   -32.399 1.00 13.38 ? 43  HIS B N   1 
ATOM   319  C CA  . HIS A 1 37  ? -43.574 0.354   -33.526 1.00 12.92 ? 43  HIS B CA  1 
ATOM   320  C C   . HIS A 1 37  ? -42.623 1.452   -33.987 1.00 14.35 ? 43  HIS B C   1 
ATOM   321  O O   . HIS A 1 37  ? -43.069 2.617   -34.190 1.00 14.34 ? 43  HIS B O   1 
ATOM   322  C CB  . HIS A 1 37  ? -44.524 -0.167  -34.624 1.00 12.70 ? 43  HIS B CB  1 
ATOM   323  C CG  . HIS A 1 37  ? -43.912 -0.819  -35.789 1.00 12.63 ? 43  HIS B CG  1 
ATOM   324  N ND1 . HIS A 1 37  ? -43.137 -0.158  -36.734 1.00 13.22 ? 43  HIS B ND1 1 
ATOM   325  C CD2 . HIS A 1 37  ? -44.012 -2.104  -36.226 1.00 12.95 ? 43  HIS B CD2 1 
ATOM   326  C CE1 . HIS A 1 37  ? -42.797 -0.993  -37.672 1.00 13.38 ? 43  HIS B CE1 1 
ATOM   327  N NE2 . HIS A 1 37  ? -43.298 -2.236  -37.369 1.00 14.24 ? 43  HIS B NE2 1 
ATOM   328  N N   . GLN A 1 38  ? -41.350 1.124   -34.222 1.00 12.63 ? 44  GLN B N   1 
ATOM   329  C CA  . GLN A 1 38  ? -40.306 2.123   -34.523 1.00 13.04 ? 44  GLN B CA  1 
ATOM   330  C C   . GLN A 1 38  ? -40.132 2.368   -36.026 1.00 13.77 ? 44  GLN B C   1 
ATOM   331  O O   . GLN A 1 38  ? -39.115 2.970   -36.430 1.00 15.08 ? 44  GLN B O   1 
ATOM   332  C CB  . GLN A 1 38  ? -38.998 1.730   -33.824 1.00 13.46 ? 44  GLN B CB  1 
ATOM   333  C CG  . GLN A 1 38  ? -39.117 1.794   -32.332 1.00 12.65 ? 44  GLN B CG  1 
ATOM   334  C CD  . GLN A 1 38  ? -39.577 3.122   -31.797 1.00 13.88 ? 44  GLN B CD  1 
ATOM   335  O OE1 . GLN A 1 38  ? -40.528 3.241   -31.000 1.00 16.05 ? 44  GLN B OE1 1 
ATOM   336  N NE2 . GLN A 1 38  ? -38.942 4.180   -32.259 1.00 12.55 ? 44  GLN B NE2 1 
ATOM   337  N N   . ASN A 1 39  ? -41.104 1.981   -36.845 1.00 13.29 ? 45  ASN B N   1 
ATOM   338  C CA  . ASN A 1 39  ? -41.191 2.438   -38.264 1.00 12.48 ? 45  ASN B CA  1 
ATOM   339  C C   . ASN A 1 39  ? -40.092 1.828   -39.112 1.00 14.39 ? 45  ASN B C   1 
ATOM   340  O O   . ASN A 1 39  ? -39.665 2.432   -40.099 1.00 15.23 ? 45  ASN B O   1 
ATOM   341  C CB  . ASN A 1 39  ? -41.221 3.979   -38.393 1.00 13.05 ? 45  ASN B CB  1 
ATOM   342  C CG  . ASN A 1 39  ? -41.878 4.401   -39.694 1.00 12.94 ? 45  ASN B CG  1 
ATOM   343  O OD1 . ASN A 1 39  ? -42.743 3.718   -40.243 1.00 12.33 ? 45  ASN B OD1 1 
ATOM   344  N ND2 . ASN A 1 39  ? -41.439 5.539   -40.245 1.00 12.63 ? 45  ASN B ND2 1 
ATOM   345  N N   . VAL A 1 40  ? -39.736 0.576   -38.832 1.00 15.89 ? 46  VAL B N   1 
ATOM   346  C CA  . VAL A 1 40  ? -38.766 -0.249  -39.618 1.00 17.21 ? 46  VAL B CA  1 
ATOM   347  C C   . VAL A 1 40  ? -39.536 -1.296  -40.440 1.00 15.89 ? 46  VAL B C   1 
ATOM   348  O O   . VAL A 1 40  ? -40.605 -1.688  -39.996 1.00 15.93 ? 46  VAL B O   1 
ATOM   349  C CB  . VAL A 1 40  ? -37.735 -0.919  -38.677 1.00 18.33 ? 46  VAL B CB  1 
ATOM   350  C CG1 . VAL A 1 40  ? -36.840 0.117   -38.016 1.00 20.77 ? 46  VAL B CG1 1 
ATOM   351  C CG2 . VAL A 1 40  ? -38.376 -1.814  -37.620 1.00 19.18 ? 46  VAL B CG2 1 
ATOM   352  N N   . SER A 1 41  ? -39.016 -1.754  -41.571 1.00 17.86 ? 47  SER B N   1 
ATOM   353  C CA  . SER A 1 41  ? -39.600 -2.888  -42.314 1.00 18.56 ? 47  SER B CA  1 
ATOM   354  C C   . SER A 1 41  ? -39.388 -4.195  -41.546 1.00 16.59 ? 47  SER B C   1 
ATOM   355  O O   . SER A 1 41  ? -38.416 -4.308  -40.769 1.00 15.80 ? 47  SER B O   1 
ATOM   356  C CB  . SER A 1 41  ? -39.045 -2.993  -43.711 1.00 19.95 ? 47  SER B CB  1 
ATOM   357  O OG  . SER A 1 41  ? -37.656 -3.203  -43.665 1.00 23.05 ? 47  SER B OG  1 
ATOM   358  N N   . ASP A 1 42  ? -40.248 -5.174  -41.750 1.00 17.04 ? 48  ASP B N   1 
ATOM   359  C CA  . ASP A 1 42  ? -40.132 -6.521  -41.141 1.00 16.67 ? 48  ASP B CA  1 
ATOM   360  C C   . ASP A 1 42  ? -39.149 -7.313  -41.989 1.00 18.20 ? 48  ASP B C   1 
ATOM   361  O O   . ASP A 1 42  ? -38.843 -6.940  -43.161 1.00 19.09 ? 48  ASP B O   1 
ATOM   362  C CB  . ASP A 1 42  ? -41.486 -7.227  -40.978 1.00 17.69 ? 48  ASP B CB  1 
ATOM   363  C CG  . ASP A 1 42  ? -41.540 -8.279  -39.857 1.00 19.49 ? 48  ASP B CG  1 
ATOM   364  O OD1 . ASP A 1 42  ? -40.490 -8.479  -39.186 1.00 17.30 ? 48  ASP B OD1 1 
ATOM   365  O OD2 . ASP A 1 42  ? -42.663 -8.864  -39.562 1.00 19.53 ? 48  ASP B OD2 1 
ATOM   366  N N   . ASN A 1 43  ? -38.581 -8.344  -41.358 1.00 16.48 ? 49  ASN B N   1 
ATOM   367  C CA  . ASN A 1 43  ? -37.655 -9.271  -42.039 1.00 18.11 ? 49  ASN B CA  1 
ATOM   368  C C   . ASN A 1 43  ? -37.620 -10.564 -41.229 1.00 19.78 ? 49  ASN B C   1 
ATOM   369  O O   . ASN A 1 43  ? -38.202 -10.649 -40.127 1.00 19.30 ? 49  ASN B O   1 
ATOM   370  C CB  . ASN A 1 43  ? -36.311 -8.604  -42.248 1.00 16.69 ? 49  ASN B CB  1 
ATOM   371  C CG  . ASN A 1 43  ? -35.528 -8.411  -40.965 1.00 18.28 ? 49  ASN B CG  1 
ATOM   372  O OD1 . ASN A 1 43  ? -35.376 -9.360  -40.200 1.00 19.43 ? 49  ASN B OD1 1 
ATOM   373  N ND2 . ASN A 1 43  ? -35.045 -7.235  -40.690 1.00 16.99 ? 49  ASN B ND2 1 
ATOM   374  N N   . LYS A 1 44  ? -37.053 -11.605 -41.824 1.00 20.82 ? 50  LYS B N   1 
ATOM   375  C CA  . LYS A 1 44  ? -37.023 -12.959 -41.229 1.00 21.08 ? 50  LYS B CA  1 
ATOM   376  C C   . LYS A 1 44  ? -36.092 -13.024 -40.001 1.00 18.47 ? 50  LYS B C   1 
ATOM   377  O O   . LYS A 1 44  ? -36.307 -13.921 -39.197 1.00 20.36 ? 50  LYS B O   1 
ATOM   378  C CB  . LYS A 1 44  ? -36.506 -13.958 -42.282 1.00 25.37 ? 50  LYS B CB  1 
ATOM   379  C CG  . LYS A 1 44  ? -35.052 -13.744 -42.657 1.00 30.58 ? 50  LYS B CG  1 
ATOM   380  C CD  . LYS A 1 44  ? -34.639 -14.269 -44.022 1.00 41.41 ? 50  LYS B CD  1 
ATOM   381  C CE  . LYS A 1 44  ? -33.136 -14.392 -44.150 1.00 46.42 ? 50  LYS B CE  1 
ATOM   382  N NZ  . LYS A 1 44  ? -32.769 -15.652 -44.838 1.00 52.87 ? 50  LYS B NZ  1 
ATOM   383  N N   . GLU A 1 45  ? -35.188 -12.083 -39.836 1.00 17.43 ? 51  GLU B N   1 
ATOM   384  C CA  . GLU A 1 45  ? -34.267 -12.080 -38.664 1.00 17.91 ? 51  GLU B CA  1 
ATOM   385  C C   . GLU A 1 45  ? -34.914 -11.498 -37.406 1.00 16.87 ? 51  GLU B C   1 
ATOM   386  O O   . GLU A 1 45  ? -34.397 -11.780 -36.295 1.00 16.39 ? 51  GLU B O   1 
ATOM   387  C CB  . GLU A 1 45  ? -33.032 -11.267 -38.939 1.00 19.98 ? 51  GLU B CB  1 
ATOM   388  C CG  . GLU A 1 45  ? -32.229 -11.711 -40.153 1.00 26.16 ? 51  GLU B CG  1 
ATOM   389  C CD  . GLU A 1 45  ? -31.111 -10.715 -40.427 1.00 35.39 ? 51  GLU B CD  1 
ATOM   390  O OE1 . GLU A 1 45  ? -31.175 -10.047 -41.488 1.00 51.64 ? 51  GLU B OE1 1 
ATOM   391  O OE2 . GLU A 1 45  ? -30.216 -10.534 -39.552 1.00 40.13 ? 51  GLU B OE2 1 
ATOM   392  N N   . ARG A 1 46  ? -35.925 -10.619 -37.505 1.00 14.74 ? 52  ARG B N   1 
ATOM   393  C CA  . ARG A 1 46  ? -36.375 -9.893  -36.293 1.00 13.83 ? 52  ARG B CA  1 
ATOM   394  C C   . ARG A 1 46  ? -37.083 -10.804 -35.324 1.00 13.73 ? 52  ARG B C   1 
ATOM   395  O O   . ARG A 1 46  ? -37.967 -11.581 -35.684 1.00 14.25 ? 52  ARG B O   1 
ATOM   396  C CB  . ARG A 1 46  ? -37.334 -8.771  -36.686 1.00 13.25 ? 52  ARG B CB  1 
ATOM   397  C CG  . ARG A 1 46  ? -36.745 -7.650  -37.499 1.00 14.84 ? 52  ARG B CG  1 
ATOM   398  C CD  . ARG A 1 46  ? -37.641 -6.375  -37.398 1.00 13.48 ? 52  ARG B CD  1 
ATOM   399  N NE  . ARG A 1 46  ? -37.142 -5.370  -38.294 1.00 15.36 ? 52  ARG B NE  1 
ATOM   400  C CZ  . ARG A 1 46  ? -36.044 -4.683  -38.098 1.00 14.72 ? 52  ARG B CZ  1 
ATOM   401  N NH1 . ARG A 1 46  ? -35.433 -4.705  -36.919 1.00 14.36 ? 52  ARG B NH1 1 
ATOM   402  N NH2 . ARG A 1 46  ? -35.554 -3.872  -39.036 1.00 17.59 ? 52  ARG B NH2 1 
ATOM   403  N N   . PHE A 1 47  ? -36.762 -10.696 -34.044 1.00 12.64 ? 53  PHE B N   1 
ATOM   404  C CA  . PHE A 1 47  ? -37.543 -11.392 -33.014 1.00 12.44 ? 53  PHE B CA  1 
ATOM   405  C C   . PHE A 1 47  ? -38.971 -10.806 -32.988 1.00 13.98 ? 53  PHE B C   1 
ATOM   406  O O   . PHE A 1 47  ? -39.104 -9.592  -32.805 1.00 13.35 ? 53  PHE B O   1 
ATOM   407  C CB  . PHE A 1 47  ? -36.892 -11.274 -31.647 1.00 11.38 ? 53  PHE B CB  1 
ATOM   408  C CG  . PHE A 1 47  ? -35.655 -12.117 -31.488 1.00 11.22 ? 53  PHE B CG  1 
ATOM   409  C CD1 . PHE A 1 47  ? -35.792 -13.464 -31.243 1.00 11.70 ? 53  PHE B CD1 1 
ATOM   410  C CD2 . PHE A 1 47  ? -34.388 -11.572 -31.578 1.00 11.14 ? 53  PHE B CD2 1 
ATOM   411  C CE1 . PHE A 1 47  ? -34.680 -14.281 -31.088 1.00 12.53 ? 53  PHE B CE1 1 
ATOM   412  C CE2 . PHE A 1 47  ? -33.261 -12.389 -31.410 1.00 11.04 ? 53  PHE B CE2 1 
ATOM   413  C CZ  . PHE A 1 47  ? -33.432 -13.744 -31.166 1.00 10.86 ? 53  PHE B CZ  1 
ATOM   414  N N   . SER A 1 48  ? -40.000 -11.618 -33.159 1.00 14.72 ? 54  SER B N   1 
ATOM   415  C CA  . SER A 1 48  ? -41.398 -11.100 -33.308 1.00 15.70 ? 54  SER B CA  1 
ATOM   416  C C   . SER A 1 48  ? -42.116 -11.029 -31.970 1.00 15.55 ? 54  SER B C   1 
ATOM   417  O O   . SER A 1 48  ? -42.903 -10.044 -31.736 1.00 18.06 ? 54  SER B O   1 
ATOM   418  C CB  . SER A 1 48  ? -42.144 -11.967 -34.322 1.00 16.97 ? 54  SER B CB  1 
ATOM   419  O OG  . SER A 1 48  ? -42.255 -13.297 -33.881 1.00 16.30 ? 54  SER B OG  1 
ATOM   420  N N   . ASN A 1 49  ? -41.972 -11.968 -31.090 1.00 14.91 ? 55  ASN B N   1 
ATOM   421  C CA  . ASN A 1 49  ? -42.903 -12.119 -29.948 1.00 16.59 ? 55  ASN B CA  1 
ATOM   422  C C   . ASN A 1 49  ? -42.387 -11.374 -28.722 1.00 14.89 ? 55  ASN B C   1 
ATOM   423  O O   . ASN A 1 49  ? -43.156 -11.158 -27.794 1.00 16.83 ? 55  ASN B O   1 
ATOM   424  C CB  . ASN A 1 49  ? -43.157 -13.569 -29.562 1.00 17.85 ? 55  ASN B CB  1 
ATOM   425  C CG  . ASN A 1 49  ? -44.040 -14.320 -30.554 1.00 19.87 ? 55  ASN B CG  1 
ATOM   426  O OD1 . ASN A 1 49  ? -43.851 -14.193 -31.750 1.00 21.26 ? 55  ASN B OD1 1 
ATOM   427  N ND2 . ASN A 1 49  ? -44.965 -15.128 -30.042 1.00 23.38 ? 55  ASN B ND2 1 
ATOM   428  N N   . TYR A 1 50  ? -41.077 -11.100 -28.640 1.00 13.56 ? 56  TYR B N   1 
ATOM   429  C CA  . TYR A 1 50  ? -40.453 -10.585 -27.402 1.00 12.36 ? 56  TYR B CA  1 
ATOM   430  C C   . TYR A 1 50  ? -39.506 -9.455  -27.763 1.00 10.87 ? 56  TYR B C   1 
ATOM   431  O O   . TYR A 1 50  ? -38.977 -9.393  -28.868 1.00 11.65 ? 56  TYR B O   1 
ATOM   432  C CB  . TYR A 1 50  ? -39.657 -11.710 -26.746 1.00 13.77 ? 56  TYR B CB  1 
ATOM   433  C CG  . TYR A 1 50  ? -40.366 -13.040 -26.677 1.00 14.69 ? 56  TYR B CG  1 
ATOM   434  C CD1 . TYR A 1 50  ? -41.408 -13.235 -25.788 1.00 16.81 ? 56  TYR B CD1 1 
ATOM   435  C CD2 . TYR A 1 50  ? -40.037 -14.111 -27.490 1.00 15.73 ? 56  TYR B CD2 1 
ATOM   436  C CE1 . TYR A 1 50  ? -42.083 -14.449 -25.686 1.00 18.82 ? 56  TYR B CE1 1 
ATOM   437  C CE2 . TYR A 1 50  ? -40.734 -15.308 -27.450 1.00 16.54 ? 56  TYR B CE2 1 
ATOM   438  C CZ  . TYR A 1 50  ? -41.751 -15.487 -26.529 1.00 17.51 ? 56  TYR B CZ  1 
ATOM   439  O OH  . TYR A 1 50  ? -42.351 -16.720 -26.467 1.00 18.56 ? 56  TYR B OH  1 
ATOM   440  N N   . PRO A 1 51  ? -39.180 -8.576  -26.791 1.00 10.84 ? 57  PRO B N   1 
ATOM   441  C CA  . PRO A 1 51  ? -38.335 -7.410  -27.049 1.00 10.57 ? 57  PRO B CA  1 
ATOM   442  C C   . PRO A 1 51  ? -36.819 -7.725  -27.035 1.00 9.35  ? 57  PRO B C   1 
ATOM   443  O O   . PRO A 1 51  ? -36.026 -7.189  -26.270 1.00 10.02 ? 57  PRO B O   1 
ATOM   444  C CB  . PRO A 1 51  ? -38.713 -6.405  -25.921 1.00 11.95 ? 57  PRO B CB  1 
ATOM   445  C CG  . PRO A 1 51  ? -39.937 -6.994  -25.274 1.00 13.26 ? 57  PRO B CG  1 
ATOM   446  C CD  . PRO A 1 51  ? -39.847 -8.475  -25.490 1.00 11.95 ? 57  PRO B CD  1 
ATOM   447  N N   . MET A 1 52  ? -36.438 -8.624  -27.963 1.00 10.02 ? 58  MET B N   1 
ATOM   448  C CA  . MET A 1 52  ? -35.095 -9.237  -28.040 1.00 9.06  ? 58  MET B CA  1 
ATOM   449  C C   . MET A 1 52  ? -34.297 -8.658  -29.189 1.00 9.36  ? 58  MET B C   1 
ATOM   450  O O   . MET A 1 52  ? -34.832 -8.144  -30.231 1.00 10.85 ? 58  MET B O   1 
ATOM   451  C CB  . MET A 1 52  ? -35.218 -10.745 -28.211 1.00 9.67  ? 58  MET B CB  1 
ATOM   452  C CG  . MET A 1 52  ? -35.777 -11.439 -27.019 1.00 10.10 ? 58  MET B CG  1 
ATOM   453  S SD  . MET A 1 52  ? -36.273 -13.139 -27.420 1.00 11.47 ? 58  MET B SD  1 
ATOM   454  C CE  . MET A 1 52  ? -36.865 -13.739 -25.843 1.00 12.64 ? 58  MET B CE  1 
ATOM   455  N N   . VAL A 1 53  ? -32.980 -8.732  -29.052 1.00 9.59  ? 59  VAL B N   1 
ATOM   456  C CA  . VAL A 1 53  ? -32.005 -8.261  -30.070 1.00 10.25 ? 59  VAL B CA  1 
ATOM   457  C C   . VAL A 1 53  ? -30.710 -9.054  -29.879 1.00 10.68 ? 59  VAL B C   1 
ATOM   458  O O   . VAL A 1 53  ? -30.380 -9.423  -28.729 1.00 10.86 ? 59  VAL B O   1 
ATOM   459  C CB  . VAL A 1 53  ? -31.802 -6.731  -30.014 1.00 10.47 ? 59  VAL B CB  1 
ATOM   460  C CG1 . VAL A 1 53  ? -31.260 -6.264  -28.682 1.00 10.92 ? 59  VAL B CG1 1 
ATOM   461  C CG2 . VAL A 1 53  ? -30.917 -6.222  -31.161 1.00 11.03 ? 59  VAL B CG2 1 
ATOM   462  N N   . LEU A 1 54  ? -29.937 -9.241  -30.935 1.00 10.14 ? 60  LEU B N   1 
ATOM   463  C CA  . LEU A 1 54  ? -28.607 -9.901  -30.889 1.00 9.95  ? 60  LEU B CA  1 
ATOM   464  C C   . LEU A 1 54  ? -27.501 -8.897  -31.018 1.00 10.65 ? 60  LEU B C   1 
ATOM   465  O O   . LEU A 1 54  ? -27.627 -7.826  -31.714 1.00 12.02 ? 60  LEU B O   1 
ATOM   466  C CB  . LEU A 1 54  ? -28.450 -10.956 -31.984 1.00 11.08 ? 60  LEU B CB  1 
ATOM   467  C CG  . LEU A 1 54  ? -29.539 -11.995 -31.989 1.00 11.47 ? 60  LEU B CG  1 
ATOM   468  C CD1 . LEU A 1 54  ? -29.271 -13.089 -33.029 1.00 12.69 ? 60  LEU B CD1 1 
ATOM   469  C CD2 . LEU A 1 54  ? -29.721 -12.629 -30.617 1.00 11.35 ? 60  LEU B CD2 1 
ATOM   470  N N   . GLY A 1 55  ? -26.348 -9.201  -30.430 1.00 10.61 ? 61  GLY B N   1 
ATOM   471  C CA  . GLY A 1 55  ? -25.085 -8.525  -30.809 1.00 11.00 ? 61  GLY B CA  1 
ATOM   472  C C   . GLY A 1 55  ? -24.691 -8.867  -32.249 1.00 11.29 ? 61  GLY B C   1 
ATOM   473  O O   . GLY A 1 55  ? -25.011 -9.926  -32.735 1.00 12.05 ? 61  GLY B O   1 
ATOM   474  N N   . ALA A 1 56  ? -23.947 -7.967  -32.869 1.00 13.13 ? 62  ALA B N   1 
ATOM   475  C CA  . ALA A 1 56  ? -23.438 -8.183  -34.244 1.00 14.68 ? 62  ALA B CA  1 
ATOM   476  C C   . ALA A 1 56  ? -22.330 -9.234  -34.265 1.00 14.27 ? 62  ALA B C   1 
ATOM   477  O O   . ALA A 1 56  ? -22.175 -9.926  -35.288 1.00 17.54 ? 62  ALA B O   1 
ATOM   478  C CB  . ALA A 1 56  ? -22.974 -6.880  -34.809 1.00 15.23 ? 62  ALA B CB  1 
ATOM   479  N N   . GLN A 1 57  ? -21.555 -9.287  -33.197 1.00 14.04 ? 63  GLN B N   1 
ATOM   480  C CA  . GLN A 1 57  ? -20.349 -10.156 -33.186 1.00 14.19 ? 63  GLN B CA  1 
ATOM   481  C C   . GLN A 1 57  ? -20.756 -11.630 -33.149 1.00 13.99 ? 63  GLN B C   1 
ATOM   482  O O   . GLN A 1 57  ? -21.769 -12.020 -32.521 1.00 14.64 ? 63  GLN B O   1 
ATOM   483  C CB  . GLN A 1 57  ? -19.489 -9.793  -31.979 1.00 16.12 ? 63  GLN B CB  1 
ATOM   484  C CG  . GLN A 1 57  ? -18.840 -8.425  -32.053 1.00 18.30 ? 63  GLN B CG  1 
ATOM   485  C CD  . GLN A 1 57  ? -19.797 -7.257  -31.921 1.00 17.76 ? 63  GLN B CD  1 
ATOM   486  O OE1 . GLN A 1 57  ? -20.758 -7.326  -31.160 1.00 17.11 ? 63  GLN B OE1 1 
ATOM   487  N NE2 . GLN A 1 57  ? -19.545 -6.165  -32.617 1.00 20.00 ? 63  GLN B NE2 1 
ATOM   488  N N   . ARG A 1 58  ? -20.026 -12.483 -33.881 1.00 14.76 ? 64  ARG B N   1 
ATOM   489  C CA  . ARG A 1 58  ? -20.169 -13.947 -33.864 1.00 15.13 ? 64  ARG B CA  1 
ATOM   490  C C   . ARG A 1 58  ? -18.897 -14.562 -33.303 1.00 13.16 ? 64  ARG B C   1 
ATOM   491  O O   . ARG A 1 58  ? -17.801 -14.105 -33.655 1.00 16.55 ? 64  ARG B O   1 
ATOM   492  C CB  . ARG A 1 58  ? -20.328 -14.547 -35.278 1.00 18.33 ? 64  ARG B CB  1 
ATOM   493  C CG  . ARG A 1 58  ? -21.670 -14.376 -35.989 1.00 27.57 ? 64  ARG B CG  1 
ATOM   494  C CD  . ARG A 1 58  ? -22.300 -13.029 -35.738 1.00 27.06 ? 64  ARG B CD  1 
ATOM   495  N NE  . ARG A 1 58  ? -23.091 -12.207 -36.655 1.00 31.29 ? 64  ARG B NE  1 
ATOM   496  C CZ  . ARG A 1 58  ? -23.801 -12.612 -37.693 1.00 28.42 ? 64  ARG B CZ  1 
ATOM   497  N NH1 . ARG A 1 58  ? -24.448 -11.709 -38.411 1.00 31.54 ? 64  ARG B NH1 1 
ATOM   498  N NH2 . ARG A 1 58  ? -23.819 -13.875 -38.053 1.00 30.08 ? 64  ARG B NH2 1 
ATOM   499  N N   . PHE A 1 59  ? -19.028 -15.496 -32.402 1.00 12.33 ? 65  PHE B N   1 
ATOM   500  C CA  . PHE A 1 59  ? -17.873 -16.161 -31.751 1.00 13.07 ? 65  PHE B CA  1 
ATOM   501  C C   . PHE A 1 59  ? -17.931 -17.644 -32.023 1.00 12.45 ? 65  PHE B C   1 
ATOM   502  O O   . PHE A 1 59  ? -18.946 -18.283 -31.798 1.00 12.48 ? 65  PHE B O   1 
ATOM   503  C CB  . PHE A 1 59  ? -17.946 -15.901 -30.233 1.00 15.30 ? 65  PHE B CB  1 
ATOM   504  C CG  . PHE A 1 59  ? -17.941 -14.428 -29.863 1.00 16.41 ? 65  PHE B CG  1 
ATOM   505  C CD1 . PHE A 1 59  ? -16.937 -13.617 -30.356 1.00 19.62 ? 65  PHE B CD1 1 
ATOM   506  C CD2 . PHE A 1 59  ? -18.933 -13.865 -29.090 1.00 23.23 ? 65  PHE B CD2 1 
ATOM   507  C CE1 . PHE A 1 59  ? -16.883 -12.265 -30.067 1.00 22.09 ? 65  PHE B CE1 1 
ATOM   508  C CE2 . PHE A 1 59  ? -18.868 -12.506 -28.776 1.00 18.95 ? 65  PHE B CE2 1 
ATOM   509  C CZ  . PHE A 1 59  ? -17.885 -11.725 -29.316 1.00 19.81 ? 65  PHE B CZ  1 
ATOM   510  N N   A SER A 1 60  ? -16.818 -18.215 -32.503 0.25 12.60 ? 66  SER B N   1 
ATOM   511  N N   B SER A 1 60  ? -16.809 -18.196 -32.500 0.25 12.58 ? 66  SER B N   1 
ATOM   512  C CA  A SER A 1 60  ? -16.719 -19.668 -32.806 0.25 13.35 ? 66  SER B CA  1 
ATOM   513  C CA  B SER A 1 60  ? -16.651 -19.643 -32.798 0.25 13.29 ? 66  SER B CA  1 
ATOM   514  C C   A SER A 1 60  ? -15.496 -20.316 -32.130 0.25 13.21 ? 66  SER B C   1 
ATOM   515  C C   B SER A 1 60  ? -15.373 -20.200 -32.173 0.25 13.30 ? 66  SER B C   1 
ATOM   516  O O   A SER A 1 60  ? -15.332 -21.550 -32.280 0.25 13.37 ? 66  SER B O   1 
ATOM   517  O O   B SER A 1 60  ? -14.963 -21.301 -32.556 0.25 12.67 ? 66  SER B O   1 
ATOM   518  C CB  A SER A 1 60  ? -16.764 -19.906 -34.311 0.25 13.41 ? 66  SER B CB  1 
ATOM   519  C CB  B SER A 1 60  ? -16.625 -19.874 -34.276 0.25 13.35 ? 66  SER B CB  1 
ATOM   520  O OG  A SER A 1 60  ? -18.104 -19.752 -34.817 0.25 14.19 ? 66  SER B OG  1 
ATOM   521  O OG  B SER A 1 60  ? -15.564 -19.142 -34.836 0.25 14.53 ? 66  SER B OG  1 
ATOM   522  N N   A SER A 1 61  ? -14.718 -19.533 -31.371 0.25 12.68 ? 67  SER B N   1 
ATOM   523  N N   B SER A 1 61  ? -14.735 -19.443 -31.291 0.25 13.27 ? 67  SER B N   1 
ATOM   524  C CA  A SER A 1 61  ? -13.508 -19.982 -30.628 0.25 13.63 ? 67  SER B CA  1 
ATOM   525  C CA  B SER A 1 61  ? -13.473 -19.870 -30.652 0.25 14.90 ? 67  SER B CA  1 
ATOM   526  C C   A SER A 1 61  ? -13.201 -18.987 -29.505 0.25 14.42 ? 67  SER B C   1 
ATOM   527  C C   B SER A 1 61  ? -13.104 -18.889 -29.551 0.25 15.00 ? 67  SER B C   1 
ATOM   528  O O   A SER A 1 61  ? -13.807 -17.913 -29.496 0.25 14.77 ? 67  SER B O   1 
ATOM   529  O O   B SER A 1 61  ? -13.522 -17.711 -29.632 0.25 14.66 ? 67  SER B O   1 
ATOM   530  C CB  A SER A 1 61  ? -12.315 -20.091 -31.573 0.25 14.10 ? 67  SER B CB  1 
ATOM   531  C CB  B SER A 1 61  ? -12.372 -19.936 -31.689 0.25 15.84 ? 67  SER B CB  1 
ATOM   532  O OG  A SER A 1 61  ? -11.888 -18.806 -32.001 0.25 14.69 ? 67  SER B OG  1 
ATOM   533  O OG  B SER A 1 61  ? -11.207 -20.506 -31.130 0.25 18.81 ? 67  SER B OG  1 
ATOM   534  N N   . GLY A 1 62  ? -12.270 -19.338 -28.618 1.00 15.30 ? 68  GLY B N   1 
ATOM   535  C CA  . GLY A 1 62  ? -11.659 -18.394 -27.684 1.00 15.96 ? 68  GLY B CA  1 
ATOM   536  C C   . GLY A 1 62  ? -12.503 -18.075 -26.458 1.00 13.02 ? 68  GLY B C   1 
ATOM   537  O O   . GLY A 1 62  ? -13.515 -18.743 -26.180 1.00 14.52 ? 68  GLY B O   1 
ATOM   538  N N   . LYS A 1 63  ? -11.989 -17.099 -25.745 1.00 13.26 ? 69  LYS B N   1 
ATOM   539  C CA  . LYS A 1 63  ? -12.573 -16.612 -24.493 1.00 13.84 ? 69  LYS B CA  1 
ATOM   540  C C   . LYS A 1 63  ? -13.011 -15.177 -24.734 1.00 13.51 ? 69  LYS B C   1 
ATOM   541  O O   . LYS A 1 63  ? -12.241 -14.370 -25.241 1.00 14.99 ? 69  LYS B O   1 
ATOM   542  C CB  . LYS A 1 63  ? -11.531 -16.705 -23.385 1.00 15.18 ? 69  LYS B CB  1 
ATOM   543  C CG  . LYS A 1 63  ? -11.156 -18.125 -22.999 1.00 15.11 ? 69  LYS B CG  1 
ATOM   544  C CD  . LYS A 1 63  ? -9.991  -18.212 -21.973 1.00 17.84 ? 69  LYS B CD  1 
ATOM   545  C CE  . LYS A 1 63  ? -9.639  -19.625 -21.582 1.00 20.77 ? 69  LYS B CE  1 
ATOM   546  N NZ  . LYS A 1 63  ? -8.580  -19.620 -20.537 1.00 24.48 ? 69  LYS B NZ  1 
ATOM   547  N N   . MET A 1 64  ? -14.223 -14.844 -24.305 1.00 13.08 ? 70  MET B N   1 
ATOM   548  C CA  . MET A 1 64  ? -14.857 -13.523 -24.508 1.00 12.72 ? 70  MET B CA  1 
ATOM   549  C C   . MET A 1 64  ? -15.500 -13.064 -23.209 1.00 12.65 ? 70  MET B C   1 
ATOM   550  O O   . MET A 1 64  ? -16.047 -13.907 -22.498 1.00 13.53 ? 70  MET B O   1 
ATOM   551  C CB  . MET A 1 64  ? -15.975 -13.583 -25.541 1.00 12.95 ? 70  MET B CB  1 
ATOM   552  C CG  . MET A 1 64  ? -15.551 -13.792 -26.978 1.00 14.03 ? 70  MET B CG  1 
ATOM   553  S SD  . MET A 1 64  ? -14.783 -15.341 -27.505 1.00 15.49 ? 70  MET B SD  1 
ATOM   554  C CE  . MET A 1 64  ? -15.996 -16.541 -27.019 1.00 15.70 ? 70  MET B CE  1 
ATOM   555  N N   . TYR A 1 65  ? -15.481 -11.777 -22.924 1.00 12.30 ? 71  TYR B N   1 
ATOM   556  C CA  . TYR A 1 65  ? -16.077 -11.193 -21.693 1.00 12.62 ? 71  TYR B CA  1 
ATOM   557  C C   . TYR A 1 65  ? -16.706 -9.862  -22.081 1.00 13.43 ? 71  TYR B C   1 
ATOM   558  O O   . TYR A 1 65  ? -16.071 -9.049  -22.791 1.00 13.69 ? 71  TYR B O   1 
ATOM   559  C CB  . TYR A 1 65  ? -15.020 -11.017 -20.589 1.00 13.41 ? 71  TYR B CB  1 
ATOM   560  C CG  . TYR A 1 65  ? -15.524 -10.403 -19.303 1.00 12.64 ? 71  TYR B CG  1 
ATOM   561  C CD1 . TYR A 1 65  ? -16.308 -11.135 -18.420 1.00 13.40 ? 71  TYR B CD1 1 
ATOM   562  C CD2 . TYR A 1 65  ? -15.325 -9.051  -19.027 1.00 13.66 ? 71  TYR B CD2 1 
ATOM   563  C CE1 . TYR A 1 65  ? -16.800 -10.578 -17.242 1.00 14.00 ? 71  TYR B CE1 1 
ATOM   564  C CE2 . TYR A 1 65  ? -15.846 -8.476  -17.873 1.00 13.49 ? 71  TYR B CE2 1 
ATOM   565  C CZ  . TYR A 1 65  ? -16.560 -9.235  -16.975 1.00 14.10 ? 71  TYR B CZ  1 
ATOM   566  O OH  . TYR A 1 65  ? -17.089 -8.665  -15.860 1.00 15.71 ? 71  TYR B OH  1 
ATOM   567  N N   . TRP A 1 66  ? -17.895 -9.601  -21.569 1.00 11.84 ? 72  TRP B N   1 
ATOM   568  C CA  . TRP A 1 66  ? -18.501 -8.251  -21.676 1.00 12.27 ? 72  TRP B CA  1 
ATOM   569  C C   . TRP A 1 66  ? -19.406 -7.994  -20.471 1.00 12.04 ? 72  TRP B C   1 
ATOM   570  O O   . TRP A 1 66  ? -19.735 -8.924  -19.724 1.00 12.17 ? 72  TRP B O   1 
ATOM   571  C CB  . TRP A 1 66  ? -19.247 -8.044  -23.021 1.00 12.02 ? 72  TRP B CB  1 
ATOM   572  C CG  . TRP A 1 66  ? -20.410 -8.941  -23.279 1.00 11.62 ? 72  TRP B CG  1 
ATOM   573  C CD1 . TRP A 1 66  ? -21.744 -8.663  -23.073 1.00 11.85 ? 72  TRP B CD1 1 
ATOM   574  C CD2 . TRP A 1 66  ? -20.402 -10.269 -23.809 1.00 11.97 ? 72  TRP B CD2 1 
ATOM   575  N NE1 . TRP A 1 66  ? -22.532 -9.706  -23.469 1.00 11.74 ? 72  TRP B NE1 1 
ATOM   576  C CE2 . TRP A 1 66  ? -21.735 -10.721 -23.926 1.00 12.22 ? 72  TRP B CE2 1 
ATOM   577  C CE3 . TRP A 1 66  ? -19.379 -11.112 -24.255 1.00 13.82 ? 72  TRP B CE3 1 
ATOM   578  C CZ2 . TRP A 1 66  ? -22.080 -11.963 -24.428 1.00 12.46 ? 72  TRP B CZ2 1 
ATOM   579  C CZ3 . TRP A 1 66  ? -19.709 -12.351 -24.746 1.00 15.37 ? 72  TRP B CZ3 1 
ATOM   580  C CH2 . TRP A 1 66  ? -21.031 -12.788 -24.822 1.00 14.39 ? 72  TRP B CH2 1 
ATOM   581  N N   . GLU A 1 67  ? -19.789 -6.729  -20.306 1.00 11.96 ? 73  GLU B N   1 
ATOM   582  C CA  . GLU A 1 67  ? -20.627 -6.287  -19.180 1.00 11.52 ? 73  GLU B CA  1 
ATOM   583  C C   . GLU A 1 67  ? -21.843 -5.512  -19.667 1.00 11.06 ? 73  GLU B C   1 
ATOM   584  O O   . GLU A 1 67  ? -21.765 -4.787  -20.642 1.00 11.97 ? 73  GLU B O   1 
ATOM   585  C CB  . GLU A 1 67  ? -19.837 -5.424  -18.196 1.00 13.45 ? 73  GLU B CB  1 
ATOM   586  C CG  . GLU A 1 67  ? -18.767 -6.243  -17.475 1.00 15.75 ? 73  GLU B CG  1 
ATOM   587  C CD  . GLU A 1 67  ? -17.915 -5.501  -16.466 1.00 17.30 ? 73  GLU B CD  1 
ATOM   588  O OE1 . GLU A 1 67  ? -18.108 -4.262  -16.338 1.00 23.85 ? 73  GLU B OE1 1 
ATOM   589  O OE2 . GLU A 1 67  ? -17.053 -6.160  -15.774 1.00 16.80 ? 73  GLU B OE2 1 
ATOM   590  N N   . VAL A 1 68  ? -22.936 -5.724  -18.960 1.00 11.46 ? 74  VAL B N   1 
ATOM   591  C CA  . VAL A 1 68  ? -24.221 -5.089  -19.277 1.00 11.03 ? 74  VAL B CA  1 
ATOM   592  C C   . VAL A 1 68  ? -24.774 -4.410  -18.032 1.00 10.64 ? 74  VAL B C   1 
ATOM   593  O O   . VAL A 1 68  ? -24.901 -5.040  -16.972 1.00 11.92 ? 74  VAL B O   1 
ATOM   594  C CB  . VAL A 1 68  ? -25.244 -6.083  -19.838 1.00 10.80 ? 74  VAL B CB  1 
ATOM   595  C CG1 . VAL A 1 68  ? -26.476 -5.343  -20.316 1.00 11.90 ? 74  VAL B CG1 1 
ATOM   596  C CG2 . VAL A 1 68  ? -24.639 -6.966  -20.917 1.00 11.60 ? 74  VAL B CG2 1 
ATOM   597  N N   . ASP A 1 69  ? -25.218 -3.160  -18.201 1.00 11.25 ? 75  ASP B N   1 
ATOM   598  C CA  . ASP A 1 69  ? -25.875 -2.361  -17.141 1.00 12.31 ? 75  ASP B CA  1 
ATOM   599  C C   . ASP A 1 69  ? -27.368 -2.647  -17.183 1.00 10.49 ? 75  ASP B C   1 
ATOM   600  O O   . ASP A 1 69  ? -27.993 -2.504  -18.291 1.00 11.62 ? 75  ASP B O   1 
ATOM   601  C CB  . ASP A 1 69  ? -25.595 -0.861  -17.301 1.00 13.74 ? 75  ASP B CB  1 
ATOM   602  C CG  . ASP A 1 69  ? -25.966 -0.045  -16.078 1.00 15.68 ? 75  ASP B CG  1 
ATOM   603  O OD1 . ASP A 1 69  ? -27.080 -0.050  -15.699 1.00 15.51 ? 75  ASP B OD1 1 
ATOM   604  O OD2 . ASP A 1 69  ? -25.045 0.404   -15.383 1.00 19.77 ? 75  ASP B OD2 1 
ATOM   605  N N   . VAL A 1 70  ? -27.968 -3.022  -16.055 1.00 10.88 ? 76  VAL B N   1 
ATOM   606  C CA  . VAL A 1 70  ? -29.406 -3.373  -15.893 1.00 11.77 ? 76  VAL B CA  1 
ATOM   607  C C   . VAL A 1 70  ? -30.094 -2.469  -14.847 1.00 11.58 ? 76  VAL B C   1 
ATOM   608  O O   . VAL A 1 70  ? -31.147 -2.841  -14.342 1.00 12.38 ? 76  VAL B O   1 
ATOM   609  C CB  . VAL A 1 70  ? -29.559 -4.878  -15.548 1.00 11.52 ? 76  VAL B CB  1 
ATOM   610  C CG1 . VAL A 1 70  ? -28.992 -5.807  -16.646 1.00 11.13 ? 76  VAL B CG1 1 
ATOM   611  C CG2 . VAL A 1 70  ? -28.939 -5.262  -14.218 1.00 11.57 ? 76  VAL B CG2 1 
ATOM   612  N N   . THR A 1 71  ? -29.462 -1.352  -14.506 1.00 12.54 ? 77  THR B N   1 
ATOM   613  C CA  . THR A 1 71  ? -29.943 -0.454  -13.439 1.00 13.98 ? 77  THR B CA  1 
ATOM   614  C C   . THR A 1 71  ? -31.443 -0.149  -13.605 1.00 13.78 ? 77  THR B C   1 
ATOM   615  O O   . THR A 1 71  ? -31.884 0.252   -14.680 1.00 14.23 ? 77  THR B O   1 
ATOM   616  C CB  . THR A 1 71  ? -29.147 0.847   -13.422 1.00 13.59 ? 77  THR B CB  1 
ATOM   617  O OG1 . THR A 1 71  ? -27.763 0.565   -13.191 1.00 16.02 ? 77  THR B OG1 1 
ATOM   618  C CG2 . THR A 1 71  ? -29.676 1.777   -12.346 1.00 15.56 ? 77  THR B CG2 1 
ATOM   619  N N   . GLN A 1 72  ? -32.190 -0.349  -12.519 0.50 15.38 ? 78  GLN B N   1 
ATOM   620  C CA  . GLN A 1 72  ? -33.630 -0.010  -12.326 0.50 15.33 ? 78  GLN B CA  1 
ATOM   621  C C   . GLN A 1 72  ? -34.529 -0.678  -13.365 0.50 14.71 ? 78  GLN B C   1 
ATOM   622  O O   . GLN A 1 72  ? -35.659 -0.182  -13.618 0.50 15.25 ? 78  GLN B O   1 
ATOM   623  C CB  . GLN A 1 72  ? -33.825 1.498   -12.324 0.50 17.19 ? 78  GLN B CB  1 
ATOM   624  C CG  . GLN A 1 72  ? -33.496 2.090   -10.969 0.50 17.74 ? 78  GLN B CG  1 
ATOM   625  C CD  . GLN A 1 72  ? -34.369 1.531   -9.871  0.50 18.25 ? 78  GLN B CD  1 
ATOM   626  O OE1 . GLN A 1 72  ? -33.912 0.790   -9.007  0.50 21.08 ? 78  GLN B OE1 1 
ATOM   627  N NE2 . GLN A 1 72  ? -35.644 1.863   -9.912  0.50 18.82 ? 78  GLN B NE2 1 
ATOM   628  N N   . LYS A 1 73  ? -34.103 -1.819  -13.896 1.00 13.36 ? 79  LYS B N   1 
ATOM   629  C CA  . LYS A 1 73  ? -35.036 -2.668  -14.636 1.00 12.24 ? 79  LYS B CA  1 
ATOM   630  C C   . LYS A 1 73  ? -35.732 -3.681  -13.731 1.00 11.48 ? 79  LYS B C   1 
ATOM   631  O O   . LYS A 1 73  ? -35.088 -4.225  -12.759 1.00 13.09 ? 79  LYS B O   1 
ATOM   632  C CB  . LYS A 1 73  ? -34.317 -3.349  -15.788 1.00 12.09 ? 79  LYS B CB  1 
ATOM   633  C CG  . LYS A 1 73  ? -33.875 -2.353  -16.871 1.00 12.30 ? 79  LYS B CG  1 
ATOM   634  C CD  . LYS A 1 73  ? -33.365 -2.999  -18.130 1.00 12.81 ? 79  LYS B CD  1 
ATOM   635  C CE  . LYS A 1 73  ? -34.439 -3.734  -18.894 1.00 11.89 ? 79  LYS B CE  1 
ATOM   636  N NZ  . LYS A 1 73  ? -35.640 -2.901  -19.199 1.00 10.88 ? 79  LYS B NZ  1 
ATOM   637  N N   . GLU A 1 74  ? -36.971 -3.996  -14.032 1.00 10.61 ? 80  GLU B N   1 
ATOM   638  C CA  . GLU A 1 74  ? -37.778 -5.010  -13.337 1.00 10.52 ? 80  GLU B CA  1 
ATOM   639  C C   . GLU A 1 74  ? -37.720 -6.366  -14.039 1.00 10.73 ? 80  GLU B C   1 
ATOM   640  O O   . GLU A 1 74  ? -38.059 -7.376  -13.437 1.00 11.40 ? 80  GLU B O   1 
ATOM   641  C CB  . GLU A 1 74  ? -39.251 -4.587  -13.307 1.00 11.78 ? 80  GLU B CB  1 
ATOM   642  C CG  . GLU A 1 74  ? -39.551 -3.327  -12.513 1.00 12.57 ? 80  GLU B CG  1 
ATOM   643  C CD  . GLU A 1 74  ? -41.028 -2.919  -12.617 1.00 12.67 ? 80  GLU B CD  1 
ATOM   644  O OE1 . GLU A 1 74  ? -41.428 -2.079  -11.797 1.00 14.96 ? 80  GLU B OE1 1 
ATOM   645  O OE2 . GLU A 1 74  ? -41.743 -3.450  -13.491 1.00 13.61 ? 80  GLU B OE2 1 
ATOM   646  N N   . ALA A 1 75  ? -37.339 -6.421  -15.316 1.00 10.53 ? 81  ALA B N   1 
ATOM   647  C CA  . ALA A 1 75  ? -37.372 -7.672  -16.083 1.00 10.52 ? 81  ALA B CA  1 
ATOM   648  C C   . ALA A 1 75  ? -36.378 -7.532  -17.225 1.00 10.99 ? 81  ALA B C   1 
ATOM   649  O O   . ALA A 1 75  ? -36.340 -6.474  -17.918 1.00 10.79 ? 81  ALA B O   1 
ATOM   650  C CB  . ALA A 1 75  ? -38.740 -7.966  -16.619 1.00 11.28 ? 81  ALA B CB  1 
ATOM   651  N N   . TRP A 1 76  ? -35.665 -8.631  -17.508 1.00 9.77  ? 82  TRP B N   1 
ATOM   652  C CA  . TRP A 1 76  ? -34.678 -8.697  -18.624 1.00 9.63  ? 82  TRP B CA  1 
ATOM   653  C C   . TRP A 1 76  ? -34.192 -10.132 -18.720 1.00 10.31 ? 82  TRP B C   1 
ATOM   654  O O   . TRP A 1 76  ? -34.281 -10.892 -17.752 1.00 10.47 ? 82  TRP B O   1 
ATOM   655  C CB  . TRP A 1 76  ? -33.502 -7.729  -18.434 1.00 10.37 ? 82  TRP B CB  1 
ATOM   656  C CG  . TRP A 1 76  ? -32.831 -7.752  -17.097 1.00 10.62 ? 82  TRP B CG  1 
ATOM   657  C CD1 . TRP A 1 76  ? -33.048 -6.897  -16.063 1.00 10.89 ? 82  TRP B CD1 1 
ATOM   658  C CD2 . TRP A 1 76  ? -31.872 -8.714  -16.577 1.00 11.01 ? 82  TRP B CD2 1 
ATOM   659  N NE1 . TRP A 1 76  ? -32.252 -7.185  -14.997 1.00 10.79 ? 82  TRP B NE1 1 
ATOM   660  C CE2 . TRP A 1 76  ? -31.543 -8.331  -15.270 1.00 11.04 ? 82  TRP B CE2 1 
ATOM   661  C CE3 . TRP A 1 76  ? -31.232 -9.862  -17.110 1.00 11.46 ? 82  TRP B CE3 1 
ATOM   662  C CZ2 . TRP A 1 76  ? -30.609 -8.991  -14.472 1.00 11.19 ? 82  TRP B CZ2 1 
ATOM   663  C CZ3 . TRP A 1 76  ? -30.325 -10.550 -16.315 1.00 11.63 ? 82  TRP B CZ3 1 
ATOM   664  C CH2 . TRP A 1 76  ? -30.024 -10.105 -15.020 1.00 12.16 ? 82  TRP B CH2 1 
ATOM   665  N N   . ASP A 1 77  ? -33.643 -10.469 -19.885 1.00 9.77  ? 83  ASP B N   1 
ATOM   666  C CA  . ASP A 1 77  ? -32.887 -11.737 -20.109 1.00 9.67  ? 83  ASP B CA  1 
ATOM   667  C C   . ASP A 1 77  ? -31.516 -11.348 -20.686 1.00 9.41  ? 83  ASP B C   1 
ATOM   668  O O   . ASP A 1 77  ? -31.470 -10.433 -21.543 1.00 9.55  ? 83  ASP B O   1 
ATOM   669  C CB  . ASP A 1 77  ? -33.560 -12.701 -21.073 1.00 11.09 ? 83  ASP B CB  1 
ATOM   670  C CG  . ASP A 1 77  ? -35.048 -12.903 -20.947 1.00 12.53 ? 83  ASP B CG  1 
ATOM   671  O OD1 . ASP A 1 77  ? -35.478 -12.890 -19.826 1.00 16.10 ? 83  ASP B OD1 1 
ATOM   672  O OD2 . ASP A 1 77  ? -35.727 -13.092 -21.986 1.00 14.82 ? 83  ASP B OD2 1 
ATOM   673  N N   . LEU A 1 78  ? -30.440 -12.031 -20.292 1.00 8.77  ? 84  LEU B N   1 
ATOM   674  C CA  . LEU A 1 78  ? -29.094 -11.789 -20.853 1.00 9.18  ? 84  LEU B CA  1 
ATOM   675  C C   . LEU A 1 78  ? -28.387 -13.121 -21.047 1.00 9.16  ? 84  LEU B C   1 
ATOM   676  O O   . LEU A 1 78  ? -28.504 -14.018 -20.221 1.00 9.43  ? 84  LEU B O   1 
ATOM   677  C CB  . LEU A 1 78  ? -28.272 -10.938 -19.895 1.00 9.73  ? 84  LEU B CB  1 
ATOM   678  C CG  . LEU A 1 78  ? -28.630 -9.470  -19.768 1.00 10.82 ? 84  LEU B CG  1 
ATOM   679  C CD1 . LEU A 1 78  ? -27.809 -8.822  -18.670 1.00 11.68 ? 84  LEU B CD1 1 
ATOM   680  C CD2 . LEU A 1 78  ? -28.445 -8.757  -21.078 1.00 11.40 ? 84  LEU B CD2 1 
ATOM   681  N N   . GLY A 1 79  ? -27.542 -13.159 -22.065 1.00 8.55  ? 85  GLY B N   1 
ATOM   682  C CA  . GLY A 1 79  ? -26.575 -14.273 -22.190 1.00 9.37  ? 85  GLY B CA  1 
ATOM   683  C C   . GLY A 1 79  ? -26.036 -14.339 -23.607 1.00 8.55  ? 85  GLY B C   1 
ATOM   684  O O   . GLY A 1 79  ? -25.659 -13.304 -24.203 1.00 9.25  ? 85  GLY B O   1 
ATOM   685  N N   A VAL A 1 80  ? -25.969 -15.566 -24.121 0.25 8.87  ? 86  VAL B N   1 
ATOM   686  N N   B VAL A 1 80  ? -26.040 -15.538 -24.159 0.25 9.19  ? 86  VAL B N   1 
ATOM   687  C CA  A VAL A 1 80  ? -25.571 -15.854 -25.527 0.25 8.97  ? 86  VAL B CA  1 
ATOM   688  C CA  B VAL A 1 80  ? -25.450 -15.794 -25.497 0.25 9.48  ? 86  VAL B CA  1 
ATOM   689  C C   A VAL A 1 80  ? -26.558 -16.830 -26.141 0.25 9.27  ? 86  VAL B C   1 
ATOM   690  C C   B VAL A 1 80  ? -26.325 -16.890 -26.127 0.25 9.59  ? 86  VAL B C   1 
ATOM   691  O O   A VAL A 1 80  ? -27.306 -17.539 -25.444 0.25 9.26  ? 86  VAL B O   1 
ATOM   692  O O   B VAL A 1 80  ? -26.881 -17.685 -25.374 0.25 9.83  ? 86  VAL B O   1 
ATOM   693  C CB  A VAL A 1 80  ? -24.165 -16.463 -25.672 0.25 9.02  ? 86  VAL B CB  1 
ATOM   694  C CB  B VAL A 1 80  ? -23.959 -16.167 -25.329 0.25 10.24 ? 86  VAL B CB  1 
ATOM   695  C CG1 A VAL A 1 80  ? -23.126 -15.428 -25.315 0.25 9.04  ? 86  VAL B CG1 1 
ATOM   696  C CG1 B VAL A 1 80  ? -23.780 -17.520 -24.661 0.25 10.15 ? 86  VAL B CG1 1 
ATOM   697  C CG2 A VAL A 1 80  ? -23.991 -17.740 -24.856 0.25 9.04  ? 86  VAL B CG2 1 
ATOM   698  C CG2 B VAL A 1 80  ? -23.183 -16.097 -26.625 0.25 10.48 ? 86  VAL B CG2 1 
ATOM   699  N N   . CYS A 1 81  ? -26.503 -16.910 -27.458 1.00 9.57  ? 87  CYS B N   1 
ATOM   700  C CA  . CYS A 1 81  ? -27.318 -17.891 -28.142 1.00 10.61 ? 87  CYS B CA  1 
ATOM   701  C C   . CYS A 1 81  ? -26.661 -18.297 -29.453 1.00 10.07 ? 87  CYS B C   1 
ATOM   702  O O   . CYS A 1 81  ? -25.789 -17.582 -29.981 1.00 10.08 ? 87  CYS B O   1 
ATOM   703  C CB  . CYS A 1 81  ? -28.718 -17.346 -28.403 1.00 11.44 ? 87  CYS B CB  1 
ATOM   704  S SG  . CYS A 1 81  ? -28.824 -15.933 -29.531 1.00 11.31 ? 87  CYS B SG  1 
ATOM   705  N N   A ARG A 1 82  ? -27.107 -19.421 -29.984 0.25 10.50 ? 88  ARG B N   1 
ATOM   706  N N   B ARG A 1 82  ? -27.086 -19.444 -29.978 0.25 9.40  ? 88  ARG B N   1 
ATOM   707  C CA  A ARG A 1 82  ? -26.670 -19.807 -31.341 0.25 11.54 ? 88  ARG B CA  1 
ATOM   708  C CA  B ARG A 1 82  ? -26.642 -19.901 -31.324 0.25 9.68  ? 88  ARG B CA  1 
ATOM   709  C C   A ARG A 1 82  ? -27.096 -18.745 -32.351 0.25 10.87 ? 88  ARG B C   1 
ATOM   710  C C   B ARG A 1 82  ? -27.143 -18.905 -32.387 0.25 10.01 ? 88  ARG B C   1 
ATOM   711  O O   A ARG A 1 82  ? -28.148 -18.099 -32.221 0.25 10.38 ? 88  ARG B O   1 
ATOM   712  O O   B ARG A 1 82  ? -28.317 -18.451 -32.296 0.25 10.18 ? 88  ARG B O   1 
ATOM   713  C CB  A ARG A 1 82  ? -27.290 -21.137 -31.738 0.25 13.12 ? 88  ARG B CB  1 
ATOM   714  C CB  B ARG A 1 82  ? -27.181 -21.308 -31.601 0.25 9.60  ? 88  ARG B CB  1 
ATOM   715  C CG  A ARG A 1 82  ? -26.817 -22.257 -30.838 0.25 15.07 ? 88  ARG B CG  1 
ATOM   716  C CG  B ARG A 1 82  ? -26.471 -22.035 -32.736 0.25 9.29  ? 88  ARG B CG  1 
ATOM   717  C CD  A ARG A 1 82  ? -27.320 -23.597 -31.314 0.25 17.10 ? 88  ARG B CD  1 
ATOM   718  C CD  B ARG A 1 82  ? -27.024 -23.414 -33.020 0.25 9.23  ? 88  ARG B CD  1 
ATOM   719  N NE  A ARG A 1 82  ? -27.020 -24.649 -30.356 0.25 17.45 ? 88  ARG B NE  1 
ATOM   720  N NE  B ARG A 1 82  ? -26.879 -24.262 -31.856 0.25 8.89  ? 88  ARG B NE  1 
ATOM   721  C CZ  A ARG A 1 82  ? -27.867 -25.596 -30.020 0.25 18.18 ? 88  ARG B CZ  1 
ATOM   722  C CZ  B ARG A 1 82  ? -27.884 -24.822 -31.188 0.25 8.65  ? 88  ARG B CZ  1 
ATOM   723  N NH1 A ARG A 1 82  ? -29.070 -25.614 -30.559 0.25 19.11 ? 88  ARG B NH1 1 
ATOM   724  N NH1 B ARG A 1 82  ? -29.114 -24.774 -31.638 0.25 9.64  ? 88  ARG B NH1 1 
ATOM   725  N NH2 A ARG A 1 82  ? -27.501 -26.516 -29.151 0.25 19.85 ? 88  ARG B NH2 1 
ATOM   726  N NH2 B ARG A 1 82  ? -27.626 -25.484 -30.078 0.25 8.76  ? 88  ARG B NH2 1 
ATOM   727  N N   . ASP A 1 83  ? -26.307 -18.617 -33.399 1.00 11.15 ? 89  ASP B N   1 
ATOM   728  C CA  . ASP A 1 83  ? -26.704 -17.698 -34.483 1.00 11.96 ? 89  ASP B CA  1 
ATOM   729  C C   . ASP A 1 83  ? -28.032 -18.149 -35.083 1.00 13.19 ? 89  ASP B C   1 
ATOM   730  O O   . ASP A 1 83  ? -28.778 -17.259 -35.556 1.00 15.52 ? 89  ASP B O   1 
ATOM   731  C CB  . ASP A 1 83  ? -25.603 -17.662 -35.546 1.00 12.96 ? 89  ASP B CB  1 
ATOM   732  C CG  . ASP A 1 83  ? -25.255 -18.947 -36.251 1.00 13.89 ? 89  ASP B CG  1 
ATOM   733  O OD1 . ASP A 1 83  ? -25.674 -20.029 -35.832 1.00 15.22 ? 89  ASP B OD1 1 
ATOM   734  O OD2 . ASP A 1 83  ? -24.469 -18.800 -37.253 1.00 16.78 ? 89  ASP B OD2 1 
ATOM   735  N N   . SER A 1 84  ? -28.373 -19.436 -35.097 1.00 11.77 ? 90  SER B N   1 
ATOM   736  C CA  . SER A 1 84  ? -29.575 -19.912 -35.811 1.00 13.38 ? 90  SER B CA  1 
ATOM   737  C C   . SER A 1 84  ? -30.780 -20.159 -34.910 1.00 12.03 ? 90  SER B C   1 
ATOM   738  O O   . SER A 1 84  ? -31.681 -20.875 -35.299 1.00 13.70 ? 90  SER B O   1 
ATOM   739  C CB  . SER A 1 84  ? -29.211 -21.149 -36.552 1.00 14.73 ? 90  SER B CB  1 
ATOM   740  O OG  . SER A 1 84  ? -28.735 -22.126 -35.676 1.00 14.87 ? 90  SER B OG  1 
ATOM   741  N N   . VAL A 1 85  ? -30.829 -19.512 -33.741 1.00 11.52 ? 91  VAL B N   1 
ATOM   742  C CA  . VAL A 1 85  ? -32.049 -19.635 -32.905 1.00 11.97 ? 91  VAL B CA  1 
ATOM   743  C C   . VAL A 1 85  ? -33.272 -19.146 -33.703 1.00 11.48 ? 91  VAL B C   1 
ATOM   744  O O   . VAL A 1 85  ? -33.188 -18.217 -34.514 1.00 12.57 ? 91  VAL B O   1 
ATOM   745  C CB  . VAL A 1 85  ? -31.960 -18.885 -31.561 1.00 11.78 ? 91  VAL B CB  1 
ATOM   746  C CG1 . VAL A 1 85  ? -30.921 -19.552 -30.659 1.00 11.74 ? 91  VAL B CG1 1 
ATOM   747  C CG2 . VAL A 1 85  ? -31.718 -17.414 -31.720 1.00 11.54 ? 91  VAL B CG2 1 
ATOM   748  N N   . GLN A 1 86  ? -34.385 -19.767 -33.370 1.00 12.83 ? 92  GLN B N   1 
ATOM   749  C CA  . GLN A 1 86  ? -35.741 -19.344 -33.833 1.00 13.99 ? 92  GLN B CA  1 
ATOM   750  C C   . GLN A 1 86  ? -35.961 -17.856 -33.523 1.00 13.50 ? 92  GLN B C   1 
ATOM   751  O O   . GLN A 1 86  ? -35.638 -17.391 -32.432 1.00 14.42 ? 92  GLN B O   1 
ATOM   752  C CB  . GLN A 1 86  ? -36.757 -20.195 -33.070 1.00 16.75 ? 92  GLN B CB  1 
ATOM   753  C CG  . GLN A 1 86  ? -38.236 -19.953 -33.392 1.00 19.27 ? 92  GLN B CG  1 
ATOM   754  C CD  . GLN A 1 86  ? -39.153 -20.812 -32.526 1.00 21.19 ? 92  GLN B CD  1 
ATOM   755  O OE1 . GLN A 1 86  ? -38.762 -21.809 -31.893 1.00 22.92 ? 92  GLN B OE1 1 
ATOM   756  N NE2 . GLN A 1 86  ? -40.429 -20.451 -32.462 1.00 23.54 ? 92  GLN B NE2 1 
ATOM   757  N N   . ARG A 1 87  ? -36.591 -17.136 -34.458 1.00 12.77 ? 93  ARG B N   1 
ATOM   758  C CA  . ARG A 1 87  ? -36.865 -15.682 -34.334 1.00 12.44 ? 93  ARG B CA  1 
ATOM   759  C C   . ARG A 1 87  ? -38.374 -15.460 -34.200 1.00 13.25 ? 93  ARG B C   1 
ATOM   760  O O   . ARG A 1 87  ? -38.755 -14.455 -33.566 1.00 13.99 ? 93  ARG B O   1 
ATOM   761  C CB  . ARG A 1 87  ? -36.344 -14.898 -35.518 1.00 13.67 ? 93  ARG B CB  1 
ATOM   762  C CG  . ARG A 1 87  ? -34.868 -15.108 -35.836 1.00 12.95 ? 93  ARG B CG  1 
ATOM   763  C CD  . ARG A 1 87  ? -33.932 -14.833 -34.637 1.00 12.99 ? 93  ARG B CD  1 
ATOM   764  N NE  . ARG A 1 87  ? -32.571 -15.286 -34.967 1.00 14.00 ? 93  ARG B NE  1 
ATOM   765  C CZ  . ARG A 1 87  ? -31.705 -14.560 -35.626 1.00 13.20 ? 93  ARG B CZ  1 
ATOM   766  N NH1 . ARG A 1 87  ? -32.016 -13.345 -36.037 1.00 14.61 ? 93  ARG B NH1 1 
ATOM   767  N NH2 . ARG A 1 87  ? -30.534 -15.078 -35.949 1.00 15.85 ? 93  ARG B NH2 1 
ATOM   768  N N   . LYS A 1 88  ? -39.212 -16.281 -34.824 1.00 13.49 ? 94  LYS B N   1 
ATOM   769  C CA  . LYS A 1 88  ? -40.671 -16.023 -34.941 1.00 13.71 ? 94  LYS B CA  1 
ATOM   770  C C   . LYS A 1 88  ? -41.440 -16.938 -34.024 1.00 15.49 ? 94  LYS B C   1 
ATOM   771  O O   . LYS A 1 88  ? -41.078 -18.133 -33.924 1.00 17.20 ? 94  LYS B O   1 
ATOM   772  C CB  . LYS A 1 88  ? -41.136 -16.217 -36.386 1.00 15.00 ? 94  LYS B CB  1 
ATOM   773  C CG  . LYS A 1 88  ? -40.358 -15.438 -37.409 1.00 16.42 ? 94  LYS B CG  1 
ATOM   774  C CD  . LYS A 1 88  ? -40.346 -13.931 -37.133 1.00 16.48 ? 94  LYS B CD  1 
ATOM   775  C CE  . LYS A 1 88  ? -39.644 -13.189 -38.223 1.00 17.18 ? 94  LYS B CE  1 
ATOM   776  N NZ  . LYS A 1 88  ? -39.626 -11.717 -37.990 1.00 18.69 ? 94  LYS B NZ  1 
ATOM   777  N N   . GLY A 1 89  ? -42.517 -16.447 -33.425 1.00 15.90 ? 95  GLY B N   1 
ATOM   778  C CA  . GLY A 1 89  ? -43.399 -17.257 -32.592 1.00 15.90 ? 95  GLY B CA  1 
ATOM   779  C C   . GLY A 1 89  ? -42.912 -17.430 -31.174 1.00 17.89 ? 95  GLY B C   1 
ATOM   780  O O   . GLY A 1 89  ? -41.908 -16.727 -30.769 1.00 18.36 ? 95  GLY B O   1 
ATOM   781  N N   . GLN A 1 90  ? -43.528 -18.346 -30.462 1.00 19.30 ? 96  GLN B N   1 
ATOM   782  C CA  . GLN A 1 90  ? -43.266 -18.590 -29.032 1.00 20.90 ? 96  GLN B CA  1 
ATOM   783  C C   . GLN A 1 90  ? -42.192 -19.650 -28.864 1.00 19.98 ? 96  GLN B C   1 
ATOM   784  O O   . GLN A 1 90  ? -42.117 -20.580 -29.648 1.00 20.41 ? 96  GLN B O   1 
ATOM   785  C CB  . GLN A 1 90  ? -44.557 -19.025 -28.337 1.00 23.48 ? 96  GLN B CB  1 
ATOM   786  C CG  . GLN A 1 90  ? -45.576 -17.910 -28.375 1.00 31.16 ? 96  GLN B CG  1 
ATOM   787  C CD  . GLN A 1 90  ? -46.969 -18.354 -28.029 1.00 39.23 ? 96  GLN B CD  1 
ATOM   788  O OE1 . GLN A 1 90  ? -47.410 -18.191 -26.894 1.00 48.89 ? 96  GLN B OE1 1 
ATOM   789  N NE2 . GLN A 1 90  ? -47.663 -18.895 -29.024 1.00 42.61 ? 96  GLN B NE2 1 
ATOM   790  N N   . PHE A 1 91  ? -41.303 -19.431 -27.901 1.00 16.23 ? 97  PHE B N   1 
ATOM   791  C CA  . PHE A 1 91  ? -40.258 -20.415 -27.564 1.00 16.02 ? 97  PHE B CA  1 
ATOM   792  C C   . PHE A 1 91  ? -39.753 -20.127 -26.163 1.00 15.75 ? 97  PHE B C   1 
ATOM   793  O O   . PHE A 1 91  ? -39.892 -19.018 -25.657 1.00 17.54 ? 97  PHE B O   1 
ATOM   794  C CB  . PHE A 1 91  ? -39.086 -20.361 -28.548 1.00 15.76 ? 97  PHE B CB  1 
ATOM   795  C CG  . PHE A 1 91  ? -38.477 -18.995 -28.707 1.00 14.70 ? 97  PHE B CG  1 
ATOM   796  C CD1 . PHE A 1 91  ? -37.471 -18.561 -27.848 1.00 15.71 ? 97  PHE B CD1 1 
ATOM   797  C CD2 . PHE A 1 91  ? -38.865 -18.150 -29.733 1.00 15.31 ? 97  PHE B CD2 1 
ATOM   798  C CE1 . PHE A 1 91  ? -36.885 -17.319 -28.002 1.00 15.26 ? 97  PHE B CE1 1 
ATOM   799  C CE2 . PHE A 1 91  ? -38.266 -16.908 -29.899 1.00 15.02 ? 97  PHE B CE2 1 
ATOM   800  C CZ  . PHE A 1 91  ? -37.280 -16.498 -29.024 1.00 15.21 ? 97  PHE B CZ  1 
ATOM   801  N N   A SER A 1 92  ? -39.207 -21.143 -25.504 0.25 16.35 ? 98  SER B N   1 
ATOM   802  N N   B SER A 1 92  ? -39.192 -21.168 -25.552 0.25 15.68 ? 98  SER B N   1 
ATOM   803  C CA  A SER A 1 92  ? -38.561 -20.986 -24.176 0.25 16.20 ? 98  SER B CA  1 
ATOM   804  C CA  B SER A 1 92  ? -38.510 -21.123 -24.236 0.25 15.32 ? 98  SER B CA  1 
ATOM   805  C C   A SER A 1 92  ? -37.049 -20.841 -24.353 0.25 14.54 ? 98  SER B C   1 
ATOM   806  C C   B SER A 1 92  ? -37.034 -20.768 -24.436 0.25 13.98 ? 98  SER B C   1 
ATOM   807  O O   A SER A 1 92  ? -36.456 -21.470 -25.252 0.25 13.81 ? 98  SER B O   1 
ATOM   808  O O   B SER A 1 92  ? -36.447 -21.139 -25.494 0.25 13.21 ? 98  SER B O   1 
ATOM   809  C CB  A SER A 1 92  ? -38.855 -22.128 -23.263 0.25 18.74 ? 98  SER B CB  1 
ATOM   810  C CB  B SER A 1 92  ? -38.648 -22.437 -23.516 0.25 16.58 ? 98  SER B CB  1 
ATOM   811  O OG  A SER A 1 92  ? -38.546 -23.344 -23.916 0.25 22.09 ? 98  SER B OG  1 
ATOM   812  O OG  B SER A 1 92  ? -40.014 -22.691 -23.195 0.25 18.89 ? 98  SER B OG  1 
ATOM   813  N N   . LEU A 1 93  ? -36.453 -20.066 -23.459 1.00 13.31 ? 99  LEU B N   1 
ATOM   814  C CA  . LEU A 1 93  ? -34.993 -19.879 -23.402 1.00 13.16 ? 99  LEU B CA  1 
ATOM   815  C C   . LEU A 1 93  ? -34.407 -21.087 -22.693 1.00 13.70 ? 99  LEU B C   1 
ATOM   816  O O   . LEU A 1 93  ? -34.503 -21.253 -21.477 1.00 15.54 ? 99  LEU B O   1 
ATOM   817  C CB  . LEU A 1 93  ? -34.660 -18.600 -22.657 1.00 13.62 ? 99  LEU B CB  1 
ATOM   818  C CG  . LEU A 1 93  ? -35.155 -17.310 -23.284 1.00 15.36 ? 99  LEU B CG  1 
ATOM   819  C CD1 . LEU A 1 93  ? -34.795 -16.110 -22.414 1.00 15.77 ? 99  LEU B CD1 1 
ATOM   820  C CD2 . LEU A 1 93  ? -34.588 -17.107 -24.676 1.00 16.70 ? 99  LEU B CD2 1 
ATOM   821  N N   . SER A 1 94  ? -33.742 -21.972 -23.442 1.00 12.36 ? 100 SER B N   1 
ATOM   822  C CA  . SER A 1 94  ? -33.144 -23.207 -22.900 1.00 12.57 ? 100 SER B CA  1 
ATOM   823  C C   . SER A 1 94  ? -31.941 -23.579 -23.751 1.00 11.60 ? 100 SER B C   1 
ATOM   824  O O   . SER A 1 94  ? -31.948 -23.274 -24.940 1.00 11.79 ? 100 SER B O   1 
ATOM   825  C CB  . SER A 1 94  ? -34.119 -24.371 -22.887 1.00 13.78 ? 100 SER B CB  1 
ATOM   826  O OG  . SER A 1 94  ? -34.483 -24.720 -24.213 1.00 17.09 ? 100 SER B OG  1 
ATOM   827  N N   . PRO A 1 95  ? -30.994 -24.344 -23.242 1.00 11.59 ? 101 PRO B N   1 
ATOM   828  C CA  . PRO A 1 95  ? -29.922 -24.858 -24.091 1.00 12.75 ? 101 PRO B CA  1 
ATOM   829  C C   . PRO A 1 95  ? -30.442 -25.735 -25.233 1.00 13.06 ? 101 PRO B C   1 
ATOM   830  O O   . PRO A 1 95  ? -29.876 -25.633 -26.342 1.00 12.69 ? 101 PRO B O   1 
ATOM   831  C CB  . PRO A 1 95  ? -29.036 -25.646 -23.108 1.00 13.41 ? 101 PRO B CB  1 
ATOM   832  C CG  . PRO A 1 95  ? -29.279 -24.913 -21.783 1.00 13.85 ? 101 PRO B CG  1 
ATOM   833  C CD  . PRO A 1 95  ? -30.765 -24.614 -21.820 1.00 13.26 ? 101 PRO B CD  1 
ATOM   834  N N   . GLU A 1 96  ? -31.512 -26.483 -25.028 1.00 13.28 ? 102 GLU B N   1 
ATOM   835  C CA  . GLU A 1 96  ? -32.087 -27.311 -26.120 1.00 15.68 ? 102 GLU B CA  1 
ATOM   836  C C   . GLU A 1 96  ? -32.494 -26.423 -27.292 1.00 14.89 ? 102 GLU B C   1 
ATOM   837  O O   . GLU A 1 96  ? -32.454 -26.867 -28.464 1.00 15.99 ? 102 GLU B O   1 
ATOM   838  C CB  . GLU A 1 96  ? -33.259 -28.128 -25.586 1.00 19.05 ? 102 GLU B CB  1 
ATOM   839  C CG  . GLU A 1 96  ? -32.919 -28.965 -24.371 1.00 27.75 ? 102 GLU B CG  1 
ATOM   840  C CD  . GLU A 1 96  ? -33.283 -28.388 -22.999 1.00 32.61 ? 102 GLU B CD  1 
ATOM   841  O OE1 . GLU A 1 96  ? -32.464 -27.594 -22.386 1.00 23.18 ? 102 GLU B OE1 1 
ATOM   842  O OE2 . GLU A 1 96  ? -34.377 -28.813 -22.490 1.00 41.73 ? 102 GLU B OE2 1 
ATOM   843  N N   . ASN A 1 97  ? -32.935 -25.194 -27.038 1.00 13.23 ? 103 ASN B N   1 
ATOM   844  C CA  . ASN A 1 97  ? -33.348 -24.255 -28.097 1.00 13.14 ? 103 ASN B CA  1 
ATOM   845  C C   . ASN A 1 97  ? -32.197 -23.343 -28.503 1.00 12.10 ? 103 ASN B C   1 
ATOM   846  O O   . ASN A 1 97  ? -32.394 -22.462 -29.345 1.00 13.10 ? 103 ASN B O   1 
ATOM   847  C CB  . ASN A 1 97  ? -34.561 -23.416 -27.662 1.00 14.06 ? 103 ASN B CB  1 
ATOM   848  C CG  . ASN A 1 97  ? -35.837 -24.200 -27.629 1.00 16.21 ? 103 ASN B CG  1 
ATOM   849  O OD1 . ASN A 1 97  ? -35.933 -25.274 -28.252 1.00 17.76 ? 103 ASN B OD1 1 
ATOM   850  N ND2 . ASN A 1 97  ? -36.790 -23.734 -26.824 1.00 17.22 ? 103 ASN B ND2 1 
ATOM   851  N N   . GLY A 1 98  ? -30.982 -23.511 -27.985 1.00 11.03 ? 104 GLY B N   1 
ATOM   852  C CA  . GLY A 1 98  ? -29.820 -22.732 -28.404 1.00 10.86 ? 104 GLY B CA  1 
ATOM   853  C C   . GLY A 1 98  ? -29.563 -21.457 -27.608 1.00 10.03 ? 104 GLY B C   1 
ATOM   854  O O   . GLY A 1 98  ? -28.897 -20.564 -28.107 1.00 10.37 ? 104 GLY B O   1 
ATOM   855  N N   . PHE A 1 99  ? -30.023 -21.413 -26.339 1.00 10.61 ? 105 PHE B N   1 
ATOM   856  C CA  . PHE A 1 99  ? -29.832 -20.226 -25.462 1.00 9.78  ? 105 PHE B CA  1 
ATOM   857  C C   . PHE A 1 99  ? -29.123 -20.580 -24.153 1.00 8.93  ? 105 PHE B C   1 
ATOM   858  O O   . PHE A 1 99  ? -29.567 -21.576 -23.540 1.00 10.84 ? 105 PHE B O   1 
ATOM   859  C CB  . PHE A 1 99  ? -31.159 -19.551 -25.101 1.00 9.77  ? 105 PHE B CB  1 
ATOM   860  C CG  . PHE A 1 99  ? -31.947 -19.042 -26.289 1.00 9.47  ? 105 PHE B CG  1 
ATOM   861  C CD1 . PHE A 1 99  ? -32.873 -19.857 -26.943 1.00 10.40 ? 105 PHE B CD1 1 
ATOM   862  C CD2 . PHE A 1 99  ? -31.824 -17.744 -26.741 1.00 10.21 ? 105 PHE B CD2 1 
ATOM   863  C CE1 . PHE A 1 99  ? -33.619 -19.384 -28.022 1.00 10.99 ? 105 PHE B CE1 1 
ATOM   864  C CE2 . PHE A 1 99  ? -32.552 -17.290 -27.821 1.00 11.12 ? 105 PHE B CE2 1 
ATOM   865  C CZ  . PHE A 1 99  ? -33.455 -18.097 -28.432 1.00 10.83 ? 105 PHE B CZ  1 
ATOM   866  N N   . TRP A 1 100 ? -28.176 -19.754 -23.734 1.00 8.72  ? 106 TRP B N   1 
ATOM   867  C CA  . TRP A 1 100 ? -27.493 -19.860 -22.421 1.00 8.93  ? 106 TRP B CA  1 
ATOM   868  C C   . TRP A 1 100 ? -27.646 -18.498 -21.742 1.00 8.07  ? 106 TRP B C   1 
ATOM   869  O O   . TRP A 1 100 ? -26.921 -17.563 -22.049 1.00 9.25  ? 106 TRP B O   1 
ATOM   870  C CB  . TRP A 1 100 ? -26.029 -20.305 -22.561 1.00 9.23  ? 106 TRP B CB  1 
ATOM   871  C CG  . TRP A 1 100 ? -25.936 -21.672 -23.184 1.00 9.22  ? 106 TRP B CG  1 
ATOM   872  C CD1 . TRP A 1 100 ? -25.843 -22.871 -22.540 1.00 10.75 ? 106 TRP B CD1 1 
ATOM   873  C CD2 . TRP A 1 100 ? -25.980 -21.999 -24.599 1.00 9.90  ? 106 TRP B CD2 1 
ATOM   874  N NE1 . TRP A 1 100 ? -25.895 -23.916 -23.446 1.00 10.62 ? 106 TRP B NE1 1 
ATOM   875  C CE2 . TRP A 1 100 ? -25.947 -23.396 -24.708 1.00 10.31 ? 106 TRP B CE2 1 
ATOM   876  C CE3 . TRP A 1 100 ? -26.045 -21.247 -25.768 1.00 9.95  ? 106 TRP B CE3 1 
ATOM   877  C CZ2 . TRP A 1 100 ? -26.015 -24.050 -25.953 1.00 11.21 ? 106 TRP B CZ2 1 
ATOM   878  C CZ3 . TRP A 1 100 ? -26.092 -21.902 -26.992 1.00 11.56 ? 106 TRP B CZ3 1 
ATOM   879  C CH2 . TRP A 1 100 ? -26.113 -23.264 -27.066 1.00 11.91 ? 106 TRP B CH2 1 
ATOM   880  N N   . THR A 1 101 ? -28.645 -18.409 -20.838 1.00 8.79  ? 107 THR B N   1 
ATOM   881  C CA  . THR A 1 101 ? -29.161 -17.097 -20.370 1.00 9.18  ? 107 THR B CA  1 
ATOM   882  C C   . THR A 1 101 ? -29.495 -17.160 -18.869 1.00 8.87  ? 107 THR B C   1 
ATOM   883  O O   . THR A 1 101 ? -29.760 -18.239 -18.324 1.00 9.25  ? 107 THR B O   1 
ATOM   884  C CB  . THR A 1 101 ? -30.422 -16.660 -21.126 1.00 9.97  ? 107 THR B CB  1 
ATOM   885  O OG1 . THR A 1 101 ? -31.490 -17.561 -20.909 1.00 10.55 ? 107 THR B OG1 1 
ATOM   886  C CG2 . THR A 1 101 ? -30.144 -16.466 -22.606 1.00 10.14 ? 107 THR B CG2 1 
ATOM   887  N N   . ILE A 1 102 ? -29.534 -15.981 -18.265 1.00 9.13  ? 108 ILE B N   1 
ATOM   888  C CA  . ILE A 1 102 ? -30.192 -15.780 -16.937 1.00 9.19  ? 108 ILE B CA  1 
ATOM   889  C C   . ILE A 1 102 ? -31.206 -14.655 -17.131 1.00 8.97  ? 108 ILE B C   1 
ATOM   890  O O   . ILE A 1 102 ? -31.142 -13.875 -18.120 1.00 9.39  ? 108 ILE B O   1 
ATOM   891  C CB  . ILE A 1 102 ? -29.171 -15.462 -15.823 1.00 9.75  ? 108 ILE B CB  1 
ATOM   892  C CG1 . ILE A 1 102 ? -28.487 -14.109 -16.023 1.00 10.83 ? 108 ILE B CG1 1 
ATOM   893  C CG2 . ILE A 1 102 ? -28.155 -16.603 -15.719 1.00 10.24 ? 108 ILE B CG2 1 
ATOM   894  C CD1 . ILE A 1 102 ? -27.657 -13.615 -14.824 1.00 11.12 ? 108 ILE B CD1 1 
ATOM   895  N N   . TRP A 1 103 ? -32.050 -14.488 -16.129 1.00 9.78  ? 109 TRP B N   1 
ATOM   896  C CA  . TRP A 1 103 ? -33.071 -13.421 -16.183 1.00 9.90  ? 109 TRP B CA  1 
ATOM   897  C C   . TRP A 1 103 ? -33.475 -12.941 -14.818 1.00 10.46 ? 109 TRP B C   1 
ATOM   898  O O   . TRP A 1 103 ? -33.284 -13.642 -13.795 1.00 10.50 ? 109 TRP B O   1 
ATOM   899  C CB  . TRP A 1 103 ? -34.273 -13.822 -16.981 1.00 12.49 ? 109 TRP B CB  1 
ATOM   900  C CG  . TRP A 1 103 ? -35.021 -14.978 -16.472 1.00 14.11 ? 109 TRP B CG  1 
ATOM   901  C CD1 . TRP A 1 103 ? -35.904 -14.989 -15.435 1.00 14.62 ? 109 TRP B CD1 1 
ATOM   902  C CD2 . TRP A 1 103 ? -35.142 -16.239 -17.131 1.00 14.64 ? 109 TRP B CD2 1 
ATOM   903  N NE1 . TRP A 1 103 ? -36.533 -16.190 -15.384 1.00 18.01 ? 109 TRP B NE1 1 
ATOM   904  C CE2 . TRP A 1 103 ? -36.096 -16.984 -16.404 1.00 15.91 ? 109 TRP B CE2 1 
ATOM   905  C CE3 . TRP A 1 103 ? -34.530 -16.803 -18.246 1.00 16.14 ? 109 TRP B CE3 1 
ATOM   906  C CZ2 . TRP A 1 103 ? -36.447 -18.289 -16.748 1.00 18.97 ? 109 TRP B CZ2 1 
ATOM   907  C CZ3 . TRP A 1 103 ? -34.918 -18.064 -18.611 1.00 17.57 ? 109 TRP B CZ3 1 
ATOM   908  C CH2 . TRP A 1 103 ? -35.846 -18.782 -17.878 1.00 17.26 ? 109 TRP B CH2 1 
ATOM   909  N N   . LEU A 1 104 ? -34.088 -11.754 -14.819 1.00 10.06 ? 110 LEU B N   1 
ATOM   910  C CA  . LEU A 1 104 ? -34.850 -11.198 -13.683 1.00 10.20 ? 110 LEU B CA  1 
ATOM   911  C C   . LEU A 1 104 ? -36.304 -11.191 -14.100 1.00 9.95  ? 110 LEU B C   1 
ATOM   912  O O   . LEU A 1 104 ? -36.638 -10.687 -15.181 1.00 10.65 ? 110 LEU B O   1 
ATOM   913  C CB  . LEU A 1 104 ? -34.395 -9.793  -13.390 1.00 10.76 ? 110 LEU B CB  1 
ATOM   914  C CG  . LEU A 1 104 ? -35.220 -9.017  -12.359 1.00 11.35 ? 110 LEU B CG  1 
ATOM   915  C CD1 . LEU A 1 104 ? -35.251 -9.699  -10.987 1.00 11.94 ? 110 LEU B CD1 1 
ATOM   916  C CD2 . LEU A 1 104 ? -34.727 -7.599  -12.236 1.00 12.70 ? 110 LEU B CD2 1 
ATOM   917  N N   . TRP A 1 105 ? -37.190 -11.615 -13.204 1.00 11.29 ? 111 TRP B N   1 
ATOM   918  C CA  . TRP A 1 105 ? -38.649 -11.625 -13.425 1.00 12.65 ? 111 TRP B CA  1 
ATOM   919  C C   . TRP A 1 105 ? -39.355 -11.663 -12.084 1.00 13.75 ? 111 TRP B C   1 
ATOM   920  O O   . TRP A 1 105 ? -39.060 -12.553 -11.272 1.00 13.79 ? 111 TRP B O   1 
ATOM   921  C CB  . TRP A 1 105 ? -39.032 -12.842 -14.239 1.00 15.81 ? 111 TRP B CB  1 
ATOM   922  C CG  . TRP A 1 105 ? -40.492 -13.044 -14.383 1.00 18.03 ? 111 TRP B CG  1 
ATOM   923  C CD1 . TRP A 1 105 ? -41.278 -14.037 -13.865 1.00 18.86 ? 111 TRP B CD1 1 
ATOM   924  C CD2 . TRP A 1 105 ? -41.337 -12.215 -15.181 1.00 18.38 ? 111 TRP B CD2 1 
ATOM   925  N NE1 . TRP A 1 105 ? -42.555 -13.856 -14.280 1.00 19.64 ? 111 TRP B NE1 1 
ATOM   926  C CE2 . TRP A 1 105 ? -42.636 -12.752 -15.073 1.00 17.19 ? 111 TRP B CE2 1 
ATOM   927  C CE3 . TRP A 1 105 ? -41.143 -11.080 -15.972 1.00 18.07 ? 111 TRP B CE3 1 
ATOM   928  C CZ2 . TRP A 1 105 ? -43.730 -12.208 -15.730 1.00 21.25 ? 111 TRP B CZ2 1 
ATOM   929  C CZ3 . TRP A 1 105 ? -42.244 -10.497 -16.568 1.00 21.83 ? 111 TRP B CZ3 1 
ATOM   930  C CH2 . TRP A 1 105 ? -43.520 -11.046 -16.445 1.00 22.05 ? 111 TRP B CH2 1 
ATOM   931  N N   . GLN A 1 106 ? -40.228 -10.682 -11.811 1.00 13.09 ? 112 GLN B N   1 
ATOM   932  C CA  . GLN A 1 106 ? -41.055 -10.685 -10.563 1.00 13.77 ? 112 GLN B CA  1 
ATOM   933  C C   . GLN A 1 106 ? -40.154 -10.866 -9.362  1.00 14.49 ? 112 GLN B C   1 
ATOM   934  O O   . GLN A 1 106 ? -40.518 -11.698 -8.454  1.00 17.00 ? 112 GLN B O   1 
ATOM   935  C CB  . GLN A 1 106 ? -42.163 -11.709 -10.697 1.00 14.79 ? 112 GLN B CB  1 
ATOM   936  C CG  . GLN A 1 106 ? -43.078 -11.373 -11.855 1.00 15.87 ? 112 GLN B CG  1 
ATOM   937  C CD  . GLN A 1 106 ? -44.340 -12.188 -11.928 1.00 16.66 ? 112 GLN B CD  1 
ATOM   938  O OE1 . GLN A 1 106 ? -45.285 -11.838 -12.649 1.00 20.39 ? 112 GLN B OE1 1 
ATOM   939  N NE2 . GLN A 1 106 ? -44.404 -13.281 -11.185 1.00 16.32 ? 112 GLN B NE2 1 
ATOM   940  N N   . ASP A 1 107 ? -39.143 -10.065 -9.244  1.00 15.25 ? 113 ASP B N   1 
ATOM   941  C CA  . ASP A 1 107 ? -38.320 -9.945  -8.029  1.00 19.86 ? 113 ASP B CA  1 
ATOM   942  C C   . ASP A 1 107 ? -37.483 -11.210 -7.773  1.00 19.76 ? 113 ASP B C   1 
ATOM   943  O O   . ASP A 1 107 ? -36.843 -11.256 -6.681  1.00 24.95 ? 113 ASP B O   1 
ATOM   944  C CB  . ASP A 1 107 ? -39.230 -9.704  -6.812  1.00 23.91 ? 113 ASP B CB  1 
ATOM   945  C CG  . ASP A 1 107 ? -38.576 -8.945  -5.695  1.00 33.18 ? 113 ASP B CG  1 
ATOM   946  O OD1 . ASP A 1 107 ? -37.590 -8.222  -5.952  1.00 37.21 ? 113 ASP B OD1 1 
ATOM   947  O OD2 . ASP A 1 107 ? -39.094 -9.069  -4.562  1.00 46.94 ? 113 ASP B OD2 1 
ATOM   948  N N   . SER A 1 108 ? -37.373 -12.140 -8.726  1.00 15.90 ? 114 SER B N   1 
ATOM   949  C CA  . SER A 1 108 ? -36.454 -13.306 -8.587  1.00 17.49 ? 114 SER B CA  1 
ATOM   950  C C   . SER A 1 108 ? -35.573 -13.455 -9.828  1.00 14.75 ? 114 SER B C   1 
ATOM   951  O O   . SER A 1 108 ? -35.957 -13.118 -10.983 1.00 14.33 ? 114 SER B O   1 
ATOM   952  C CB  . SER A 1 108 ? -37.210 -14.548 -8.168  1.00 21.97 ? 114 SER B CB  1 
ATOM   953  O OG  . SER A 1 108 ? -37.949 -15.071 -9.219  1.00 29.89 ? 114 SER B OG  1 
ATOM   954  N N   . TYR A 1 109 ? -34.393 -13.975 -9.595  1.00 12.42 ? 115 TYR B N   1 
ATOM   955  C CA  . TYR A 1 109 ? -33.391 -14.262 -10.649 1.00 11.79 ? 115 TYR B CA  1 
ATOM   956  C C   . TYR A 1 109 ? -33.359 -15.757 -10.901 1.00 11.50 ? 115 TYR B C   1 
ATOM   957  O O   . TYR A 1 109 ? -33.352 -16.571 -9.947  1.00 12.24 ? 115 TYR B O   1 
ATOM   958  C CB  . TYR A 1 109 ? -32.039 -13.744 -10.227 1.00 11.54 ? 115 TYR B CB  1 
ATOM   959  C CG  . TYR A 1 109 ? -31.973 -12.248 -9.989  1.00 12.28 ? 115 TYR B CG  1 
ATOM   960  C CD1 . TYR A 1 109 ? -32.246 -11.696 -8.742  1.00 13.02 ? 115 TYR B CD1 1 
ATOM   961  C CD2 . TYR A 1 109 ? -31.604 -11.379 -10.995 1.00 12.03 ? 115 TYR B CD2 1 
ATOM   962  C CE1 . TYR A 1 109 ? -32.143 -10.328 -8.513  1.00 13.34 ? 115 TYR B CE1 1 
ATOM   963  C CE2 . TYR A 1 109 ? -31.526 -10.011 -10.789 1.00 12.51 ? 115 TYR B CE2 1 
ATOM   964  C CZ  . TYR A 1 109 ? -31.778 -9.484  -9.534  1.00 12.64 ? 115 TYR B CZ  1 
ATOM   965  O OH  . TYR A 1 109 ? -31.755 -8.125  -9.293  1.00 13.84 ? 115 TYR B OH  1 
ATOM   966  N N   A GLU A 1 110 ? -33.332 -16.156 -12.174 0.25 11.66 ? 116 GLU B N   1 
ATOM   967  N N   B GLU A 1 110 ? -33.397 -16.149 -12.180 0.25 11.29 ? 116 GLU B N   1 
ATOM   968  C CA  A GLU A 1 110 ? -33.330 -17.591 -12.560 0.25 11.78 ? 116 GLU B CA  1 
ATOM   969  C CA  B GLU A 1 110 ? -33.359 -17.570 -12.621 0.25 11.21 ? 116 GLU B CA  1 
ATOM   970  C C   A GLU A 1 110 ? -32.419 -17.832 -13.766 0.25 10.43 ? 116 GLU B C   1 
ATOM   971  C C   B GLU A 1 110 ? -32.275 -17.766 -13.696 0.25 9.83  ? 116 GLU B C   1 
ATOM   972  O O   A GLU A 1 110 ? -32.385 -16.986 -14.663 0.25 10.38 ? 116 GLU B O   1 
ATOM   973  O O   B GLU A 1 110 ? -31.915 -16.803 -14.413 0.25 8.77  ? 116 GLU B O   1 
ATOM   974  C CB  A GLU A 1 110 ? -34.745 -18.051 -12.878 0.25 13.25 ? 116 GLU B CB  1 
ATOM   975  C CB  B GLU A 1 110 ? -34.721 -18.007 -13.157 0.25 12.53 ? 116 GLU B CB  1 
ATOM   976  C CG  A GLU A 1 110 ? -35.725 -17.833 -11.732 0.25 15.21 ? 116 GLU B CG  1 
ATOM   977  C CG  B GLU A 1 110 ? -35.860 -17.925 -12.143 0.25 14.67 ? 116 GLU B CG  1 
ATOM   978  C CD  A GLU A 1 110 ? -37.121 -18.312 -12.078 0.25 17.17 ? 116 GLU B CD  1 
ATOM   979  C CD  B GLU A 1 110 ? -35.984 -19.099 -11.178 0.25 15.32 ? 116 GLU B CD  1 
ATOM   980  O OE1 A GLU A 1 110 ? -37.576 -18.014 -13.198 0.25 19.56 ? 116 GLU B OE1 1 
ATOM   981  O OE1 B GLU A 1 110 ? -35.554 -20.227 -11.525 0.25 19.05 ? 116 GLU B OE1 1 
ATOM   982  O OE2 A GLU A 1 110 ? -37.748 -18.987 -11.231 0.25 18.04 ? 116 GLU B OE2 1 
ATOM   983  O OE2 B GLU A 1 110 ? -36.559 -18.901 -10.102 0.25 20.39 ? 116 GLU B OE2 1 
ATOM   984  N N   . ALA A 1 111 ? -31.764 -18.996 -13.792 1.00 10.30 ? 117 ALA B N   1 
ATOM   985  C CA  . ALA A 1 111 ? -30.992 -19.436 -14.963 1.00 10.25 ? 117 ALA B CA  1 
ATOM   986  C C   . ALA A 1 111 ? -31.920 -20.191 -15.905 1.00 10.05 ? 117 ALA B C   1 
ATOM   987  O O   . ALA A 1 111 ? -32.788 -20.992 -15.497 1.00 10.58 ? 117 ALA B O   1 
ATOM   988  C CB  . ALA A 1 111 ? -29.831 -20.328 -14.583 1.00 10.50 ? 117 ALA B CB  1 
ATOM   989  N N   . GLY A 1 112 ? -31.746 -19.917 -17.222 1.00 10.60 ? 118 GLY B N   1 
ATOM   990  C CA  . GLY A 1 112 ? -32.540 -20.504 -18.300 1.00 11.50 ? 118 GLY B CA  1 
ATOM   991  C C   . GLY A 1 112 ? -32.163 -21.934 -18.624 1.00 11.92 ? 118 GLY B C   1 
ATOM   992  O O   . GLY A 1 112 ? -31.885 -22.291 -19.750 1.00 14.10 ? 118 GLY B O   1 
ATOM   993  N N   . THR A 1 113 ? -32.093 -22.823 -17.646 1.00 13.03 ? 119 THR B N   1 
ATOM   994  C CA  . THR A 1 113 ? -32.134 -24.283 -17.836 1.00 14.25 ? 119 THR B CA  1 
ATOM   995  C C   . THR A 1 113 ? -33.570 -24.747 -18.080 1.00 14.85 ? 119 THR B C   1 
ATOM   996  O O   . THR A 1 113 ? -34.490 -23.947 -17.901 1.00 16.89 ? 119 THR B O   1 
ATOM   997  C CB  . THR A 1 113 ? -31.522 -24.896 -16.597 1.00 12.65 ? 119 THR B CB  1 
ATOM   998  O OG1 . THR A 1 113 ? -32.225 -24.445 -15.422 1.00 12.72 ? 119 THR B OG1 1 
ATOM   999  C CG2 . THR A 1 113 ? -30.091 -24.544 -16.394 1.00 14.06 ? 119 THR B CG2 1 
ATOM   1000 N N   . SER A 1 114 ? -33.749 -26.025 -18.429 1.00 19.16 ? 120 SER B N   1 
ATOM   1001 C CA  . SER A 1 114 ? -35.096 -26.598 -18.559 1.00 21.70 ? 120 SER B CA  1 
ATOM   1002 C C   . SER A 1 114 ? -35.228 -27.795 -17.617 1.00 23.42 ? 120 SER B C   1 
ATOM   1003 O O   . SER A 1 114 ? -34.565 -28.817 -17.794 1.00 25.19 ? 120 SER B O   1 
ATOM   1004 C CB  . SER A 1 114 ? -35.421 -26.915 -20.008 1.00 26.34 ? 120 SER B CB  1 
ATOM   1005 O OG  . SER A 1 114 ? -36.766 -27.384 -20.125 1.00 30.26 ? 120 SER B OG  1 
ATOM   1006 N N   . PRO A 1 115 ? -35.996 -27.654 -16.520 1.00 20.34 ? 121 PRO B N   1 
ATOM   1007 C CA  . PRO A 1 115 ? -36.699 -26.434 -16.152 1.00 20.24 ? 121 PRO B CA  1 
ATOM   1008 C C   . PRO A 1 115 ? -35.730 -25.409 -15.519 1.00 16.53 ? 121 PRO B C   1 
ATOM   1009 O O   . PRO A 1 115 ? -34.575 -25.733 -15.247 1.00 15.44 ? 121 PRO B O   1 
ATOM   1010 C CB  . PRO A 1 115 ? -37.730 -26.912 -15.133 1.00 23.10 ? 121 PRO B CB  1 
ATOM   1011 C CG  . PRO A 1 115 ? -37.009 -28.016 -14.420 1.00 23.42 ? 121 PRO B CG  1 
ATOM   1012 C CD  . PRO A 1 115 ? -36.148 -28.692 -15.476 1.00 22.24 ? 121 PRO B CD  1 
ATOM   1013 N N   . GLN A 1 116 ? -36.181 -24.176 -15.321 1.00 15.68 ? 122 GLN B N   1 
ATOM   1014 C CA  . GLN A 1 116 ? -35.329 -23.063 -14.859 1.00 15.14 ? 122 GLN B CA  1 
ATOM   1015 C C   . GLN A 1 116 ? -34.800 -23.332 -13.444 1.00 12.98 ? 122 GLN B C   1 
ATOM   1016 O O   . GLN A 1 116 ? -35.446 -24.077 -12.663 1.00 14.75 ? 122 GLN B O   1 
ATOM   1017 C CB  . GLN A 1 116 ? -36.058 -21.719 -14.945 1.00 19.32 ? 122 GLN B CB  1 
ATOM   1018 C CG  . GLN A 1 116 ? -37.157 -21.543 -13.930 1.00 26.91 ? 122 GLN B CG  1 
ATOM   1019 C CD  . GLN A 1 116 ? -38.517 -21.704 -14.557 1.00 36.67 ? 122 GLN B CD  1 
ATOM   1020 O OE1 . GLN A 1 116 ? -38.762 -22.611 -15.361 1.00 45.71 ? 122 GLN B OE1 1 
ATOM   1021 N NE2 . GLN A 1 116 ? -39.417 -20.820 -14.166 1.00 44.87 ? 122 GLN B NE2 1 
ATOM   1022 N N   . THR A 1 117 ? -33.681 -22.724 -13.141 1.00 11.68 ? 123 THR B N   1 
ATOM   1023 C CA  . THR A 1 117 ? -32.962 -22.908 -11.868 1.00 11.75 ? 123 THR B CA  1 
ATOM   1024 C C   . THR A 1 117 ? -32.979 -21.598 -11.085 1.00 11.38 ? 123 THR B C   1 
ATOM   1025 O O   . THR A 1 117 ? -32.522 -20.573 -11.575 1.00 12.23 ? 123 THR B O   1 
ATOM   1026 C CB  . THR A 1 117 ? -31.535 -23.404 -12.116 1.00 10.95 ? 123 THR B CB  1 
ATOM   1027 O OG1 . THR A 1 117 ? -31.587 -24.621 -12.842 1.00 12.75 ? 123 THR B OG1 1 
ATOM   1028 C CG2 . THR A 1 117 ? -30.808 -23.616 -10.803 1.00 12.04 ? 123 THR B CG2 1 
ATOM   1029 N N   . THR A 1 118 ? -33.384 -21.659 -9.823  1.00 12.25 ? 124 THR B N   1 
ATOM   1030 C CA  . THR A 1 118 ? -33.346 -20.519 -8.903  1.00 13.18 ? 124 THR B CA  1 
ATOM   1031 C C   . THR A 1 118 ? -31.920 -20.042 -8.667  1.00 12.19 ? 124 THR B C   1 
ATOM   1032 O O   . THR A 1 118 ? -31.011 -20.909 -8.403  1.00 14.44 ? 124 THR B O   1 
ATOM   1033 C CB  . THR A 1 118 ? -33.962 -20.974 -7.567  1.00 16.30 ? 124 THR B CB  1 
ATOM   1034 O OG1 . THR A 1 118 ? -35.334 -21.282 -7.819  1.00 18.80 ? 124 THR B OG1 1 
ATOM   1035 C CG2 . THR A 1 118 ? -33.755 -19.955 -6.468  1.00 18.66 ? 124 THR B CG2 1 
ATOM   1036 N N   . LEU A 1 119 ? -31.655 -18.755 -8.773  1.00 11.43 ? 125 LEU B N   1 
ATOM   1037 C CA  . LEU A 1 119 ? -30.363 -18.145 -8.449  1.00 11.28 ? 125 LEU B CA  1 
ATOM   1038 C C   . LEU A 1 119 ? -30.449 -17.541 -7.043  1.00 12.97 ? 125 LEU B C   1 
ATOM   1039 O O   . LEU A 1 119 ? -31.575 -17.300 -6.528  1.00 16.70 ? 125 LEU B O   1 
ATOM   1040 C CB  . LEU A 1 119 ? -29.965 -17.072 -9.472  1.00 11.06 ? 125 LEU B CB  1 
ATOM   1041 C CG  . LEU A 1 119 ? -29.876 -17.598 -10.910 1.00 10.64 ? 125 LEU B CG  1 
ATOM   1042 C CD1 . LEU A 1 119 ? -29.627 -16.472 -11.914 1.00 11.23 ? 125 LEU B CD1 1 
ATOM   1043 C CD2 . LEU A 1 119 ? -28.807 -18.687 -11.029 1.00 11.47 ? 125 LEU B CD2 1 
ATOM   1044 N N   . HIS A 1 120 ? -29.320 -17.445 -6.381  1.00 12.47 ? 126 HIS B N   1 
ATOM   1045 C CA  . HIS A 1 120 ? -29.207 -16.959 -4.975  1.00 12.75 ? 126 HIS B CA  1 
ATOM   1046 C C   . HIS A 1 120 ? -28.390 -15.687 -4.999  1.00 13.94 ? 126 HIS B C   1 
ATOM   1047 O O   . HIS A 1 120 ? -27.148 -15.738 -5.095  1.00 18.34 ? 126 HIS B O   1 
ATOM   1048 C CB  . HIS A 1 120 ? -28.530 -18.038 -4.106  1.00 13.33 ? 126 HIS B CB  1 
ATOM   1049 C CG  . HIS A 1 120 ? -29.286 -19.317 -4.062  1.00 13.37 ? 126 HIS B CG  1 
ATOM   1050 N ND1 . HIS A 1 120 ? -28.956 -20.398 -4.891  1.00 15.29 ? 126 HIS B ND1 1 
ATOM   1051 C CD2 . HIS A 1 120 ? -30.354 -19.715 -3.360  1.00 15.00 ? 126 HIS B CD2 1 
ATOM   1052 C CE1 . HIS A 1 120 ? -29.806 -21.376 -4.669  1.00 15.54 ? 126 HIS B CE1 1 
ATOM   1053 N NE2 . HIS A 1 120 ? -30.668 -21.014 -3.718  1.00 15.08 ? 126 HIS B NE2 1 
ATOM   1054 N N   . ILE A 1 121 ? -29.049 -14.543 -5.065  1.00 16.79 ? 127 ILE B N   1 
ATOM   1055 C CA  . ILE A 1 121 ? -28.405 -13.211 -5.198  1.00 19.07 ? 127 ILE B CA  1 
ATOM   1056 C C   . ILE A 1 121 ? -28.842 -12.358 -3.976  1.00 18.71 ? 127 ILE B C   1 
ATOM   1057 O O   . ILE A 1 121 ? -30.060 -12.136 -3.763  1.00 25.03 ? 127 ILE B O   1 
ATOM   1058 C CB  . ILE A 1 121 ? -28.800 -12.591 -6.556  1.00 19.54 ? 127 ILE B CB  1 
ATOM   1059 C CG1 . ILE A 1 121 ? -28.216 -13.410 -7.731  1.00 18.95 ? 127 ILE B CG1 1 
ATOM   1060 C CG2 . ILE A 1 121 ? -28.441 -11.109 -6.549  1.00 23.22 ? 127 ILE B CG2 1 
ATOM   1061 C CD1 . ILE A 1 121 ? -28.402 -12.814 -9.122  1.00 20.36 ? 127 ILE B CD1 1 
ATOM   1062 N N   . GLN A 1 122 ? -27.882 -12.040 -3.131  1.00 22.37 ? 128 GLN B N   1 
ATOM   1063 C CA  . GLN A 1 122 ? -28.095 -11.215 -1.905  1.00 23.93 ? 128 GLN B CA  1 
ATOM   1064 C C   . GLN A 1 122 ? -28.059 -9.727  -2.278  1.00 21.90 ? 128 GLN B C   1 
ATOM   1065 O O   . GLN A 1 122 ? -28.831 -8.940  -1.663  1.00 22.29 ? 128 GLN B O   1 
ATOM   1066 C CB  . GLN A 1 122 ? -27.011 -11.552 -0.872  1.00 28.27 ? 128 GLN B CB  1 
ATOM   1067 C CG  . GLN A 1 122 ? -27.176 -10.856 0.481   1.00 35.89 ? 128 GLN B CG  1 
ATOM   1068 C CD  . GLN A 1 122 ? -28.484 -11.189 1.169   1.00 42.10 ? 128 GLN B CD  1 
ATOM   1069 O OE1 . GLN A 1 122 ? -29.085 -12.240 0.938   1.00 51.27 ? 128 GLN B OE1 1 
ATOM   1070 N NE2 . GLN A 1 122 ? -28.956 -10.275 2.007   1.00 45.25 ? 128 GLN B NE2 1 
ATOM   1071 N N   . VAL A 1 123 ? -27.226 -9.353  -3.253  1.00 19.15 ? 129 VAL B N   1 
ATOM   1072 C CA  . VAL A 1 123 ? -26.998 -7.935  -3.686  1.00 18.00 ? 129 VAL B CA  1 
ATOM   1073 C C   . VAL A 1 123 ? -27.554 -7.757  -5.097  1.00 17.92 ? 129 VAL B C   1 
ATOM   1074 O O   . VAL A 1 123 ? -26.912 -8.220  -6.048  1.00 15.72 ? 129 VAL B O   1 
ATOM   1075 C CB  . VAL A 1 123 ? -25.515 -7.565  -3.645  1.00 19.14 ? 129 VAL B CB  1 
ATOM   1076 C CG1 . VAL A 1 123 ? -25.253 -6.135  -4.140  1.00 20.62 ? 129 VAL B CG1 1 
ATOM   1077 C CG2 . VAL A 1 123 ? -24.936 -7.756  -2.245  1.00 22.47 ? 129 VAL B CG2 1 
ATOM   1078 N N   . PRO A 1 124 ? -28.778 -7.227  -5.301  1.00 16.12 ? 130 PRO B N   1 
ATOM   1079 C CA  . PRO A 1 124 ? -29.329 -7.088  -6.658  1.00 16.13 ? 130 PRO B CA  1 
ATOM   1080 C C   . PRO A 1 124 ? -28.339 -6.399  -7.567  1.00 15.42 ? 130 PRO B C   1 
ATOM   1081 O O   . PRO A 1 124 ? -27.812 -5.340  -7.295  1.00 16.01 ? 130 PRO B O   1 
ATOM   1082 C CB  . PRO A 1 124 ? -30.590 -6.228  -6.432  1.00 18.86 ? 130 PRO B CB  1 
ATOM   1083 C CG  . PRO A 1 124 ? -31.030 -6.650  -5.027  1.00 19.81 ? 130 PRO B CG  1 
ATOM   1084 C CD  . PRO A 1 124 ? -29.744 -6.774  -4.270  1.00 18.69 ? 130 PRO B CD  1 
ATOM   1085 N N   . PRO A 1 125 ? -27.952 -7.025  -8.698  1.00 14.06 ? 131 PRO B N   1 
ATOM   1086 C CA  . PRO A 1 125 ? -26.940 -6.454  -9.556  1.00 13.57 ? 131 PRO B CA  1 
ATOM   1087 C C   . PRO A 1 125 ? -27.458 -5.237  -10.327 1.00 13.34 ? 131 PRO B C   1 
ATOM   1088 O O   . PRO A 1 125 ? -28.563 -5.275  -10.871 1.00 14.05 ? 131 PRO B O   1 
ATOM   1089 C CB  . PRO A 1 125 ? -26.538 -7.615  -10.487 1.00 14.39 ? 131 PRO B CB  1 
ATOM   1090 C CG  . PRO A 1 125 ? -27.696 -8.540  -10.438 1.00 16.68 ? 131 PRO B CG  1 
ATOM   1091 C CD  . PRO A 1 125 ? -28.296 -8.414  -9.060  1.00 15.18 ? 131 PRO B CD  1 
ATOM   1092 N N   . CYS A 1 126 ? -26.595 -4.256  -10.451 1.00 13.85 ? 132 CYS B N   1 
ATOM   1093 C CA  . CYS A 1 126 ? -26.784 -3.136  -11.413 1.00 13.76 ? 132 CYS B CA  1 
ATOM   1094 C C   . CYS A 1 126 ? -25.994 -3.371  -12.703 1.00 13.61 ? 132 CYS B C   1 
ATOM   1095 O O   . CYS A 1 126 ? -26.301 -2.779  -13.732 1.00 12.53 ? 132 CYS B O   1 
ATOM   1096 C CB  . CYS A 1 126 ? -26.400 -1.801  -10.818 1.00 16.43 ? 132 CYS B CB  1 
ATOM   1097 S SG  . CYS A 1 126 ? -27.384 -1.343  -9.364  1.00 22.45 ? 132 CYS B SG  1 
ATOM   1098 N N   A GLN A 1 127 ? -24.904 -4.154  -12.662 0.25 13.25 ? 133 GLN B N   1 
ATOM   1099 N N   B GLN A 1 127 ? -25.034 -4.290  -12.629 0.25 13.90 ? 133 GLN B N   1 
ATOM   1100 C CA  A GLN A 1 127 ? -24.183 -4.592  -13.891 0.25 13.45 ? 133 GLN B CA  1 
ATOM   1101 C CA  B GLN A 1 127 ? -24.169 -4.644  -13.770 0.25 14.81 ? 133 GLN B CA  1 
ATOM   1102 C C   A GLN A 1 127 ? -23.804 -6.073  -13.765 0.25 12.61 ? 133 GLN B C   1 
ATOM   1103 C C   B GLN A 1 127 ? -23.921 -6.152  -13.717 0.25 13.36 ? 133 GLN B C   1 
ATOM   1104 O O   A GLN A 1 127 ? -23.381 -6.504  -12.674 0.25 11.73 ? 133 GLN B O   1 
ATOM   1105 O O   B GLN A 1 127 ? -23.815 -6.718  -12.609 0.25 12.09 ? 133 GLN B O   1 
ATOM   1106 C CB  A GLN A 1 127 ? -22.899 -3.812  -14.209 0.25 14.32 ? 133 GLN B CB  1 
ATOM   1107 C CB  B GLN A 1 127 ? -22.884 -3.820  -13.739 0.25 17.36 ? 133 GLN B CB  1 
ATOM   1108 C CG  A GLN A 1 127 ? -23.070 -2.310  -14.406 0.25 15.49 ? 133 GLN B CG  1 
ATOM   1109 C CG  B GLN A 1 127 ? -23.114 -2.326  -13.908 0.25 19.47 ? 133 GLN B CG  1 
ATOM   1110 C CD  A GLN A 1 127 ? -22.976 -1.564  -13.098 0.25 16.80 ? 133 GLN B CD  1 
ATOM   1111 C CD  B GLN A 1 127 ? -21.876 -1.579  -14.339 0.25 21.65 ? 133 GLN B CD  1 
ATOM   1112 O OE1 A GLN A 1 127 ? -22.208 -1.931  -12.212 0.25 16.95 ? 133 GLN B OE1 1 
ATOM   1113 O OE1 B GLN A 1 127 ? -20.804 -2.153  -14.537 0.25 25.75 ? 133 GLN B OE1 1 
ATOM   1114 N NE2 A GLN A 1 127 ? -23.767 -0.510  -12.964 0.25 17.04 ? 133 GLN B NE2 1 
ATOM   1115 N NE2 B GLN A 1 127 ? -22.022 -0.276  -14.488 0.25 24.30 ? 133 GLN B NE2 1 
ATOM   1116 N N   . ILE A 1 128 ? -23.945 -6.779  -14.893 1.00 12.24 ? 134 ILE B N   1 
ATOM   1117 C CA  . ILE A 1 128 ? -23.759 -8.246  -15.048 1.00 11.48 ? 134 ILE B CA  1 
ATOM   1118 C C   . ILE A 1 128 ? -22.545 -8.414  -15.964 1.00 12.38 ? 134 ILE B C   1 
ATOM   1119 O O   . ILE A 1 128 ? -22.481 -7.800  -17.057 1.00 11.79 ? 134 ILE B O   1 
ATOM   1120 C CB  . ILE A 1 128 ? -25.010 -8.871  -15.688 1.00 12.54 ? 134 ILE B CB  1 
ATOM   1121 C CG1 . ILE A 1 128 ? -26.304 -8.684  -14.876 1.00 14.69 ? 134 ILE B CG1 1 
ATOM   1122 C CG2 . ILE A 1 128 ? -24.758 -10.360 -15.971 1.00 13.17 ? 134 ILE B CG2 1 
ATOM   1123 C CD1 . ILE A 1 128 ? -26.321 -9.454  -13.608 1.00 14.52 ? 134 ILE B CD1 1 
ATOM   1124 N N   . GLY A 1 129 ? -21.604 -9.282  -15.564 1.00 11.97 ? 135 GLY B N   1 
ATOM   1125 C CA  . GLY A 1 129 ? -20.508 -9.723  -16.430 1.00 11.53 ? 135 GLY B CA  1 
ATOM   1126 C C   . GLY A 1 129 ? -20.815 -11.091 -17.021 1.00 11.42 ? 135 GLY B C   1 
ATOM   1127 O O   . GLY A 1 129 ? -21.347 -11.948 -16.330 1.00 11.67 ? 135 GLY B O   1 
ATOM   1128 N N   . ILE A 1 130 ? -20.516 -11.268 -18.316 1.00 11.69 ? 136 ILE B N   1 
ATOM   1129 C CA  . ILE A 1 130 ? -20.775 -12.517 -19.073 1.00 11.15 ? 136 ILE B CA  1 
ATOM   1130 C C   . ILE A 1 130 ? -19.451 -12.988 -19.655 1.00 11.34 ? 136 ILE B C   1 
ATOM   1131 O O   . ILE A 1 130 ? -18.775 -12.232 -20.366 1.00 12.08 ? 136 ILE B O   1 
ATOM   1132 C CB  . ILE A 1 130 ? -21.825 -12.278 -20.177 1.00 11.99 ? 136 ILE B CB  1 
ATOM   1133 C CG1 . ILE A 1 130 ? -23.112 -11.741 -19.562 1.00 12.78 ? 136 ILE B CG1 1 
ATOM   1134 C CG2 . ILE A 1 130 ? -22.081 -13.549 -20.983 1.00 12.87 ? 136 ILE B CG2 1 
ATOM   1135 C CD1 . ILE A 1 130 ? -24.150 -11.345 -20.541 1.00 15.31 ? 136 ILE B CD1 1 
ATOM   1136 N N   . PHE A 1 131 ? -19.100 -14.213 -19.297 1.00 11.16 ? 137 PHE B N   1 
ATOM   1137 C CA  . PHE A 1 131 ? -17.860 -14.869 -19.779 1.00 10.69 ? 137 PHE B CA  1 
ATOM   1138 C C   . PHE A 1 131 ? -18.233 -16.109 -20.571 1.00 10.63 ? 137 PHE B C   1 
ATOM   1139 O O   . PHE A 1 131 ? -18.999 -16.943 -20.106 1.00 11.12 ? 137 PHE B O   1 
ATOM   1140 C CB  . PHE A 1 131 ? -16.994 -15.281 -18.586 1.00 12.27 ? 137 PHE B CB  1 
ATOM   1141 C CG  . PHE A 1 131 ? -15.741 -16.012 -18.970 1.00 13.20 ? 137 PHE B CG  1 
ATOM   1142 C CD1 . PHE A 1 131 ? -14.729 -15.383 -19.654 1.00 14.52 ? 137 PHE B CD1 1 
ATOM   1143 C CD2 . PHE A 1 131 ? -15.562 -17.330 -18.600 1.00 14.95 ? 137 PHE B CD2 1 
ATOM   1144 C CE1 . PHE A 1 131 ? -13.576 -16.086 -19.996 1.00 16.07 ? 137 PHE B CE1 1 
ATOM   1145 C CE2 . PHE A 1 131 ? -14.418 -18.040 -18.955 1.00 16.91 ? 137 PHE B CE2 1 
ATOM   1146 C CZ  . PHE A 1 131 ? -13.434 -17.403 -19.645 1.00 15.16 ? 137 PHE B CZ  1 
ATOM   1147 N N   . VAL A 1 132 ? -17.657 -16.229 -21.764 1.00 10.94 ? 138 VAL B N   1 
ATOM   1148 C CA  . VAL A 1 132 ? -17.803 -17.412 -22.646 1.00 11.22 ? 138 VAL B CA  1 
ATOM   1149 C C   . VAL A 1 132 ? -16.430 -17.998 -22.935 1.00 10.78 ? 138 VAL B C   1 
ATOM   1150 O O   . VAL A 1 132 ? -15.542 -17.298 -23.415 1.00 12.27 ? 138 VAL B O   1 
ATOM   1151 C CB  . VAL A 1 132 ? -18.548 -17.065 -23.939 1.00 11.51 ? 138 VAL B CB  1 
ATOM   1152 C CG1 . VAL A 1 132 ? -18.687 -18.308 -24.822 1.00 13.44 ? 138 VAL B CG1 1 
ATOM   1153 C CG2 . VAL A 1 132 ? -19.914 -16.442 -23.629 1.00 12.80 ? 138 VAL B CG2 1 
ATOM   1154 N N   . ASP A 1 133 ? -16.294 -19.277 -22.637 1.00 10.67 ? 139 ASP B N   1 
ATOM   1155 C CA  . ASP A 1 133 ? -15.104 -20.066 -23.093 1.00 12.25 ? 139 ASP B CA  1 
ATOM   1156 C C   . ASP A 1 133 ? -15.611 -21.082 -24.103 1.00 11.10 ? 139 ASP B C   1 
ATOM   1157 O O   . ASP A 1 133 ? -16.222 -22.082 -23.739 1.00 11.30 ? 139 ASP B O   1 
ATOM   1158 C CB  . ASP A 1 133 ? -14.374 -20.684 -21.917 1.00 12.73 ? 139 ASP B CB  1 
ATOM   1159 C CG  . ASP A 1 133 ? -13.111 -21.454 -22.294 1.00 14.68 ? 139 ASP B CG  1 
ATOM   1160 O OD1 . ASP A 1 133 ? -12.990 -21.899 -23.456 1.00 15.39 ? 139 ASP B OD1 1 
ATOM   1161 O OD2 . ASP A 1 133 ? -12.279 -21.589 -21.364 1.00 18.53 ? 139 ASP B OD2 1 
ATOM   1162 N N   . TYR A 1 134 ? -15.393 -20.784 -25.393 1.00 11.52 ? 140 TYR B N   1 
ATOM   1163 C CA  . TYR A 1 134 ? -15.973 -21.612 -26.463 1.00 11.77 ? 140 TYR B CA  1 
ATOM   1164 C C   . TYR A 1 134 ? -15.460 -23.060 -26.386 1.00 12.67 ? 140 TYR B C   1 
ATOM   1165 O O   . TYR A 1 134 ? -16.216 -23.988 -26.364 1.00 13.50 ? 140 TYR B O   1 
ATOM   1166 C CB  . TYR A 1 134 ? -15.731 -20.980 -27.841 1.00 12.61 ? 140 TYR B CB  1 
ATOM   1167 C CG  . TYR A 1 134 ? -16.654 -21.587 -28.877 1.00 12.44 ? 140 TYR B CG  1 
ATOM   1168 C CD1 . TYR A 1 134 ? -16.468 -22.871 -29.384 1.00 12.55 ? 140 TYR B CD1 1 
ATOM   1169 C CD2 . TYR A 1 134 ? -17.800 -20.912 -29.306 1.00 12.51 ? 140 TYR B CD2 1 
ATOM   1170 C CE1 . TYR A 1 134 ? -17.357 -23.457 -30.269 1.00 12.48 ? 140 TYR B CE1 1 
ATOM   1171 C CE2 . TYR A 1 134 ? -18.713 -21.486 -30.181 1.00 12.42 ? 140 TYR B CE2 1 
ATOM   1172 C CZ  . TYR A 1 134 ? -18.487 -22.761 -30.684 1.00 11.57 ? 140 TYR B CZ  1 
ATOM   1173 O OH  . TYR A 1 134 ? -19.379 -23.360 -31.523 1.00 12.21 ? 140 TYR B OH  1 
ATOM   1174 N N   . GLU A 1 135 ? -14.157 -23.184 -26.273 1.00 14.03 ? 141 GLU B N   1 
ATOM   1175 C CA  . GLU A 1 135 ? -13.528 -24.527 -26.315 1.00 14.93 ? 141 GLU B CA  1 
ATOM   1176 C C   . GLU A 1 135 ? -13.930 -25.345 -25.099 1.00 14.42 ? 141 GLU B C   1 
ATOM   1177 O O   . GLU A 1 135 ? -14.291 -26.507 -25.260 1.00 15.66 ? 141 GLU B O   1 
ATOM   1178 C CB  . GLU A 1 135 ? -12.011 -24.427 -26.419 1.00 16.35 ? 141 GLU B CB  1 
ATOM   1179 C CG  . GLU A 1 135 ? -11.567 -24.232 -27.884 1.00 22.33 ? 141 GLU B CG  1 
ATOM   1180 C CD  . GLU A 1 135 ? -11.915 -22.907 -28.462 1.00 24.54 ? 141 GLU B CD  1 
ATOM   1181 O OE1 . GLU A 1 135 ? -12.093 -22.833 -29.635 1.00 23.60 ? 141 GLU B OE1 1 
ATOM   1182 O OE2 . GLU A 1 135 ? -11.971 -21.925 -27.683 1.00 26.70 ? 141 GLU B OE2 1 
ATOM   1183 N N   . ALA A 1 136 ? -13.969 -24.736 -23.920 1.00 13.20 ? 142 ALA B N   1 
ATOM   1184 C CA  . ALA A 1 136 ? -14.335 -25.460 -22.697 1.00 13.87 ? 142 ALA B CA  1 
ATOM   1185 C C   . ALA A 1 136 ? -15.841 -25.726 -22.601 1.00 14.02 ? 142 ALA B C   1 
ATOM   1186 O O   . ALA A 1 136 ? -16.234 -26.590 -21.821 1.00 16.22 ? 142 ALA B O   1 
ATOM   1187 C CB  . ALA A 1 136 ? -13.889 -24.669 -21.497 1.00 15.29 ? 142 ALA B CB  1 
ATOM   1188 N N   . GLY A 1 137 ? -16.691 -25.073 -23.387 1.00 11.96 ? 143 GLY B N   1 
ATOM   1189 C CA  . GLY A 1 137 ? -18.143 -25.222 -23.282 1.00 11.36 ? 143 GLY B CA  1 
ATOM   1190 C C   . GLY A 1 137 ? -18.697 -24.603 -21.988 1.00 10.21 ? 143 GLY B C   1 
ATOM   1191 O O   . GLY A 1 137 ? -19.467 -25.280 -21.302 1.00 11.13 ? 143 GLY B O   1 
ATOM   1192 N N   . VAL A 1 138 ? -18.282 -23.379 -21.693 1.00 11.14 ? 144 VAL B N   1 
ATOM   1193 C CA  . VAL A 1 138 ? -18.687 -22.668 -20.442 1.00 11.24 ? 144 VAL B CA  1 
ATOM   1194 C C   . VAL A 1 138 ? -19.296 -21.317 -20.798 1.00 10.51 ? 144 VAL B C   1 
ATOM   1195 O O   . VAL A 1 138 ? -18.691 -20.531 -21.554 1.00 11.26 ? 144 VAL B O   1 
ATOM   1196 C CB  . VAL A 1 138 ? -17.453 -22.494 -19.545 1.00 11.74 ? 144 VAL B CB  1 
ATOM   1197 C CG1 . VAL A 1 138 ? -17.708 -21.532 -18.373 1.00 12.61 ? 144 VAL B CG1 1 
ATOM   1198 C CG2 . VAL A 1 138 ? -16.980 -23.857 -19.052 1.00 13.13 ? 144 VAL B CG2 1 
ATOM   1199 N N   . VAL A 1 139 ? -20.372 -21.006 -20.084 1.00 10.27 ? 145 VAL B N   1 
ATOM   1200 C CA  . VAL A 1 139 ? -20.922 -19.621 -20.016 1.00 10.54 ? 145 VAL B CA  1 
ATOM   1201 C C   . VAL A 1 139 ? -21.127 -19.262 -18.530 1.00 9.71  ? 145 VAL B C   1 
ATOM   1202 O O   . VAL A 1 139 ? -21.910 -19.977 -17.871 1.00 10.66 ? 145 VAL B O   1 
ATOM   1203 C CB  . VAL A 1 139 ? -22.249 -19.511 -20.787 1.00 9.77  ? 145 VAL B CB  1 
ATOM   1204 C CG1 . VAL A 1 139 ? -22.722 -18.062 -20.776 1.00 10.58 ? 145 VAL B CG1 1 
ATOM   1205 C CG2 . VAL A 1 139 ? -22.104 -20.027 -22.216 1.00 10.08 ? 145 VAL B CG2 1 
ATOM   1206 N N   . SER A 1 140 ? -20.471 -18.223 -18.061 1.00 9.86  ? 146 SER B N   1 
ATOM   1207 C CA  . SER A 1 140 ? -20.571 -17.809 -16.648 1.00 11.00 ? 146 SER B CA  1 
ATOM   1208 C C   . SER A 1 140 ? -21.047 -16.367 -16.545 1.00 10.57 ? 146 SER B C   1 
ATOM   1209 O O   . SER A 1 140 ? -20.751 -15.550 -17.394 1.00 11.01 ? 146 SER B O   1 
ATOM   1210 C CB  . SER A 1 140 ? -19.246 -17.993 -15.922 1.00 10.97 ? 146 SER B CB  1 
ATOM   1211 O OG  . SER A 1 140 ? -18.900 -19.376 -15.829 1.00 11.76 ? 146 SER B OG  1 
ATOM   1212 N N   . PHE A 1 141 ? -21.757 -16.107 -15.454 1.00 9.63  ? 147 PHE B N   1 
ATOM   1213 C CA  . PHE A 1 141 ? -22.376 -14.819 -15.143 1.00 10.09 ? 147 PHE B CA  1 
ATOM   1214 C C   . PHE A 1 141 ? -21.845 -14.344 -13.800 1.00 10.08 ? 147 PHE B C   1 
ATOM   1215 O O   . PHE A 1 141 ? -21.862 -15.131 -12.800 1.00 10.74 ? 147 PHE B O   1 
ATOM   1216 C CB  . PHE A 1 141 ? -23.911 -14.919 -15.118 1.00 9.80  ? 147 PHE B CB  1 
ATOM   1217 C CG  . PHE A 1 141 ? -24.512 -15.309 -16.446 1.00 9.75  ? 147 PHE B CG  1 
ATOM   1218 C CD1 . PHE A 1 141 ? -24.526 -16.642 -16.851 1.00 9.82  ? 147 PHE B CD1 1 
ATOM   1219 C CD2 . PHE A 1 141 ? -25.019 -14.336 -17.313 1.00 9.76  ? 147 PHE B CD2 1 
ATOM   1220 C CE1 . PHE A 1 141 ? -25.064 -16.997 -18.094 1.00 9.84  ? 147 PHE B CE1 1 
ATOM   1221 C CE2 . PHE A 1 141 ? -25.505 -14.706 -18.568 1.00 9.58  ? 147 PHE B CE2 1 
ATOM   1222 C CZ  . PHE A 1 141 ? -25.557 -16.028 -18.944 1.00 9.44  ? 147 PHE B CZ  1 
ATOM   1223 N N   . TYR A 1 142 ? -21.537 -13.055 -13.709 1.00 9.97  ? 148 TYR B N   1 
ATOM   1224 C CA  . TYR A 1 142 ? -20.894 -12.427 -12.535 1.00 11.46 ? 148 TYR B CA  1 
ATOM   1225 C C   . TYR A 1 142 ? -21.672 -11.182 -12.129 1.00 12.27 ? 148 TYR B C   1 
ATOM   1226 O O   . TYR A 1 142 ? -22.142 -10.384 -12.952 1.00 12.53 ? 148 TYR B O   1 
ATOM   1227 C CB  . TYR A 1 142 ? -19.416 -12.132 -12.789 1.00 12.41 ? 148 TYR B CB  1 
ATOM   1228 C CG  . TYR A 1 142 ? -18.588 -13.354 -13.078 1.00 13.28 ? 148 TYR B CG  1 
ATOM   1229 C CD1 . TYR A 1 142 ? -18.104 -14.150 -12.062 1.00 13.54 ? 148 TYR B CD1 1 
ATOM   1230 C CD2 . TYR A 1 142 ? -18.398 -13.801 -14.384 1.00 13.51 ? 148 TYR B CD2 1 
ATOM   1231 C CE1 . TYR A 1 142 ? -17.438 -15.337 -12.318 1.00 13.92 ? 148 TYR B CE1 1 
ATOM   1232 C CE2 . TYR A 1 142 ? -17.719 -14.974 -14.662 1.00 14.04 ? 148 TYR B CE2 1 
ATOM   1233 C CZ  . TYR A 1 142 ? -17.199 -15.728 -13.626 1.00 14.59 ? 148 TYR B CZ  1 
ATOM   1234 O OH  . TYR A 1 142 ? -16.552 -16.913 -13.889 1.00 15.89 ? 148 TYR B OH  1 
ATOM   1235 N N   . ASN A 1 143 ? -21.727 -10.961 -10.820 1.00 13.50 ? 149 ASN B N   1 
ATOM   1236 C CA  . ASN A 1 143 ? -22.413 -9.807  -10.178 1.00 13.22 ? 149 ASN B CA  1 
ATOM   1237 C C   . ASN A 1 143 ? -21.391 -8.692  -10.006 1.00 12.33 ? 149 ASN B C   1 
ATOM   1238 O O   . ASN A 1 143 ? -20.627 -8.710  -8.998  1.00 14.87 ? 149 ASN B O   1 
ATOM   1239 C CB  . ASN A 1 143 ? -23.030 -10.255 -8.861  1.00 13.22 ? 149 ASN B CB  1 
ATOM   1240 C CG  . ASN A 1 143 ? -23.852 -9.154  -8.198  1.00 13.56 ? 149 ASN B CG  1 
ATOM   1241 O OD1 . ASN A 1 143 ? -23.692 -7.981  -8.544  1.00 15.01 ? 149 ASN B OD1 1 
ATOM   1242 N ND2 . ASN A 1 143 ? -24.745 -9.549  -7.347  1.00 14.22 ? 149 ASN B ND2 1 
ATOM   1243 N N   . ILE A 1 144 ? -21.306 -7.715  -10.904 1.00 14.30 ? 150 ILE B N   1 
ATOM   1244 C CA  . ILE A 1 144 ? -20.256 -6.677  -10.850 1.00 15.08 ? 150 ILE B CA  1 
ATOM   1245 C C   . ILE A 1 144 ? -20.519 -5.781  -9.621  1.00 16.40 ? 150 ILE B C   1 
ATOM   1246 O O   . ILE A 1 144 ? -19.530 -5.336  -8.986  1.00 18.52 ? 150 ILE B O   1 
ATOM   1247 C CB  . ILE A 1 144 ? -20.232 -5.882  -12.165 1.00 16.21 ? 150 ILE B CB  1 
ATOM   1248 C CG1 . ILE A 1 144 ? -20.031 -6.792  -13.388 1.00 16.99 ? 150 ILE B CG1 1 
ATOM   1249 C CG2 . ILE A 1 144 ? -19.215 -4.746  -12.109 1.00 18.44 ? 150 ILE B CG2 1 
ATOM   1250 C CD1 . ILE A 1 144 ? -18.956 -7.828  -13.202 1.00 21.00 ? 150 ILE B CD1 1 
ATOM   1251 N N   . THR A 1 145 ? -21.756 -5.600  -9.218  1.00 15.65 ? 151 THR B N   1 
ATOM   1252 C CA  . THR A 1 145 ? -22.122 -4.743  -8.044  1.00 16.51 ? 151 THR B CA  1 
ATOM   1253 C C   . THR A 1 145 ? -21.558 -5.388  -6.780  1.00 19.32 ? 151 THR B C   1 
ATOM   1254 O O   . THR A 1 145 ? -21.154 -4.640  -5.870  1.00 22.88 ? 151 THR B O   1 
ATOM   1255 C CB  . THR A 1 145 ? -23.648 -4.609  -7.975  1.00 15.67 ? 151 THR B CB  1 
ATOM   1256 O OG1 . THR A 1 145 ? -24.077 -4.114  -9.240  1.00 16.42 ? 151 THR B OG1 1 
ATOM   1257 C CG2 . THR A 1 145 ? -24.038 -3.642  -6.874  1.00 17.28 ? 151 THR B CG2 1 
ATOM   1258 N N   . ASP A 1 146 ? -21.504 -6.713  -6.692  1.00 18.04 ? 152 ASP B N   1 
ATOM   1259 C CA  . ASP A 1 146 ? -20.984 -7.464  -5.514  1.00 18.61 ? 152 ASP B CA  1 
ATOM   1260 C C   . ASP A 1 146 ? -19.566 -7.986  -5.794  1.00 18.88 ? 152 ASP B C   1 
ATOM   1261 O O   . ASP A 1 146 ? -19.351 -9.182  -5.609  1.00 20.17 ? 152 ASP B O   1 
ATOM   1262 C CB  . ASP A 1 146 ? -22.004 -8.509  -5.139  1.00 18.10 ? 152 ASP B CB  1 
ATOM   1263 C CG  . ASP A 1 146 ? -21.625 -9.299  -3.917  1.00 22.17 ? 152 ASP B CG  1 
ATOM   1264 O OD1 . ASP A 1 146 ? -21.178 -8.661  -2.945  1.00 23.84 ? 152 ASP B OD1 1 
ATOM   1265 O OD2 . ASP A 1 146 ? -21.795 -10.524 -3.962  1.00 22.01 ? 152 ASP B OD2 1 
ATOM   1266 N N   . HIS A 1 147 ? -18.649 -7.141  -6.230  1.00 21.45 ? 153 HIS B N   1 
ATOM   1267 C CA  . HIS A 1 147 ? -17.200 -7.451  -6.346  1.00 25.04 ? 153 HIS B CA  1 
ATOM   1268 C C   . HIS A 1 147 ? -17.036 -8.687  -7.231  1.00 23.26 ? 153 HIS B C   1 
ATOM   1269 O O   . HIS A 1 147 ? -16.173 -9.521  -6.958  1.00 25.63 ? 153 HIS B O   1 
ATOM   1270 C CB  . HIS A 1 147 ? -16.539 -7.747  -4.989  1.00 29.21 ? 153 HIS B CB  1 
ATOM   1271 C CG  . HIS A 1 147 ? -16.841 -6.814  -3.863  1.00 38.01 ? 153 HIS B CG  1 
ATOM   1272 N ND1 . HIS A 1 147 ? -16.332 -5.529  -3.808  1.00 44.64 ? 153 HIS B ND1 1 
ATOM   1273 C CD2 . HIS A 1 147 ? -17.540 -7.004  -2.721  1.00 42.31 ? 153 HIS B CD2 1 
ATOM   1274 C CE1 . HIS A 1 147 ? -16.736 -4.948  -2.692  1.00 47.27 ? 153 HIS B CE1 1 
ATOM   1275 N NE2 . HIS A 1 147 ? -17.472 -5.839  -1.999  1.00 44.59 ? 153 HIS B NE2 1 
ATOM   1276 N N   . GLY A 1 148 ? -17.879 -8.829  -8.248  1.00 19.44 ? 154 GLY B N   1 
ATOM   1277 C CA  . GLY A 1 148 ? -17.661 -9.875  -9.268  1.00 16.88 ? 154 GLY B CA  1 
ATOM   1278 C C   . GLY A 1 148 ? -18.062 -11.252 -8.800  1.00 15.22 ? 154 GLY B C   1 
ATOM   1279 O O   . GLY A 1 148 ? -17.554 -12.176 -9.394  1.00 15.82 ? 154 GLY B O   1 
ATOM   1280 N N   . SER A 1 149 ? -18.894 -11.397 -7.802  1.00 14.95 ? 155 SER B N   1 
ATOM   1281 C CA  . SER A 1 149 ? -19.242 -12.727 -7.284  1.00 12.99 ? 155 SER B CA  1 
ATOM   1282 C C   . SER A 1 149 ? -19.931 -13.560 -8.374  1.00 13.54 ? 155 SER B C   1 
ATOM   1283 O O   . SER A 1 149 ? -20.731 -13.029 -9.203  1.00 13.27 ? 155 SER B O   1 
ATOM   1284 C CB  . SER A 1 149 ? -20.094 -12.638 -6.051  1.00 15.01 ? 155 SER B CB  1 
ATOM   1285 O OG  . SER A 1 149 ? -21.306 -11.892 -6.245  1.00 15.16 ? 155 SER B OG  1 
ATOM   1286 N N   . LEU A 1 150 ? -19.745 -14.857 -8.348  1.00 12.20 ? 156 LEU B N   1 
ATOM   1287 C CA  . LEU A 1 150 ? -20.355 -15.761 -9.343  1.00 11.52 ? 156 LEU B CA  1 
ATOM   1288 C C   . LEU A 1 150 ? -21.849 -15.817 -9.099  1.00 11.42 ? 156 LEU B C   1 
ATOM   1289 O O   . LEU A 1 150 ? -22.369 -16.063 -7.987  1.00 12.03 ? 156 LEU B O   1 
ATOM   1290 C CB  . LEU A 1 150 ? -19.740 -17.155 -9.184  1.00 11.82 ? 156 LEU B CB  1 
ATOM   1291 C CG  . LEU A 1 150 ? -20.289 -18.211 -10.153 1.00 11.74 ? 156 LEU B CG  1 
ATOM   1292 C CD1 . LEU A 1 150 ? -19.913 -17.918 -11.598 1.00 11.80 ? 156 LEU B CD1 1 
ATOM   1293 C CD2 . LEU A 1 150 ? -19.726 -19.598 -9.773  1.00 12.83 ? 156 LEU B CD2 1 
ATOM   1294 N N   . ILE A 1 151 ? -22.627 -15.666 -10.182 1.00 10.55 ? 157 ILE B N   1 
ATOM   1295 C CA  . ILE A 1 151 ? -24.076 -15.890 -10.231 1.00 10.66 ? 157 ILE B CA  1 
ATOM   1296 C C   . ILE A 1 151 ? -24.415 -17.321 -10.672 1.00 9.72  ? 157 ILE B C   1 
ATOM   1297 O O   . ILE A 1 151 ? -25.223 -18.018 -10.089 1.00 10.19 ? 157 ILE B O   1 
ATOM   1298 C CB  . ILE A 1 151 ? -24.763 -14.822 -11.114 1.00 10.93 ? 157 ILE B CB  1 
ATOM   1299 C CG1 . ILE A 1 151 ? -24.628 -13.426 -10.514 1.00 11.50 ? 157 ILE B CG1 1 
ATOM   1300 C CG2 . ILE A 1 151 ? -26.232 -15.190 -11.290 1.00 11.41 ? 157 ILE B CG2 1 
ATOM   1301 C CD1 . ILE A 1 151 ? -25.015 -12.316 -11.457 1.00 11.93 ? 157 ILE B CD1 1 
ATOM   1302 N N   . TYR A 1 152 ? -23.865 -17.727 -11.828 1.00 10.18 ? 158 TYR B N   1 
ATOM   1303 C CA  . TYR A 1 152 ? -24.232 -19.032 -12.420 1.00 10.35 ? 158 TYR B CA  1 
ATOM   1304 C C   . TYR A 1 152 ? -23.181 -19.431 -13.460 1.00 9.65  ? 158 TYR B C   1 
ATOM   1305 O O   . TYR A 1 152 ? -22.704 -18.560 -14.198 1.00 10.20 ? 158 TYR B O   1 
ATOM   1306 C CB  . TYR A 1 152 ? -25.609 -18.973 -13.135 1.00 10.03 ? 158 TYR B CB  1 
ATOM   1307 C CG  . TYR A 1 152 ? -26.136 -20.333 -13.471 1.00 9.55  ? 158 TYR B CG  1 
ATOM   1308 C CD1 . TYR A 1 152 ? -26.749 -21.145 -12.519 1.00 10.15 ? 158 TYR B CD1 1 
ATOM   1309 C CD2 . TYR A 1 152 ? -26.009 -20.862 -14.755 1.00 9.50  ? 158 TYR B CD2 1 
ATOM   1310 C CE1 . TYR A 1 152 ? -27.170 -22.414 -12.809 1.00 10.89 ? 158 TYR B CE1 1 
ATOM   1311 C CE2 . TYR A 1 152 ? -26.467 -22.112 -15.060 1.00 10.41 ? 158 TYR B CE2 1 
ATOM   1312 C CZ  . TYR A 1 152 ? -27.021 -22.902 -14.090 1.00 10.13 ? 158 TYR B CZ  1 
ATOM   1313 O OH  . TYR A 1 152 ? -27.402 -24.175 -14.388 1.00 12.49 ? 158 TYR B OH  1 
ATOM   1314 N N   . THR A 1 153 ? -22.876 -20.729 -13.547 1.00 9.65  ? 159 THR B N   1 
ATOM   1315 C CA  . THR A 1 153 ? -22.071 -21.336 -14.637 1.00 9.96  ? 159 THR B CA  1 
ATOM   1316 C C   . THR A 1 153 ? -22.835 -22.455 -15.322 1.00 10.06 ? 159 THR B C   1 
ATOM   1317 O O   . THR A 1 153 ? -23.220 -23.434 -14.707 1.00 10.92 ? 159 THR B O   1 
ATOM   1318 C CB  . THR A 1 153 ? -20.734 -21.883 -14.090 1.00 10.72 ? 159 THR B CB  1 
ATOM   1319 O OG1 . THR A 1 153 ? -19.973 -20.752 -13.663 1.00 11.09 ? 159 THR B OG1 1 
ATOM   1320 C CG2 . THR A 1 153 ? -19.969 -22.707 -15.114 1.00 11.63 ? 159 THR B CG2 1 
ATOM   1321 N N   . PHE A 1 154 ? -23.093 -22.272 -16.630 1.00 10.04 ? 160 PHE B N   1 
ATOM   1322 C CA  . PHE A 1 154 ? -23.451 -23.386 -17.542 1.00 9.73  ? 160 PHE B CA  1 
ATOM   1323 C C   . PHE A 1 154 ? -22.136 -24.052 -17.987 1.00 9.85  ? 160 PHE B C   1 
ATOM   1324 O O   . PHE A 1 154 ? -21.284 -23.409 -18.565 1.00 10.61 ? 160 PHE B O   1 
ATOM   1325 C CB  . PHE A 1 154 ? -24.130 -22.866 -18.813 1.00 10.33 ? 160 PHE B CB  1 
ATOM   1326 C CG  . PHE A 1 154 ? -25.505 -22.256 -18.624 1.00 8.82  ? 160 PHE B CG  1 
ATOM   1327 C CD1 . PHE A 1 154 ? -25.679 -20.904 -18.385 1.00 8.91  ? 160 PHE B CD1 1 
ATOM   1328 C CD2 . PHE A 1 154 ? -26.622 -23.023 -18.840 1.00 9.29  ? 160 PHE B CD2 1 
ATOM   1329 C CE1 . PHE A 1 154 ? -26.962 -20.374 -18.313 1.00 9.61  ? 160 PHE B CE1 1 
ATOM   1330 C CE2 . PHE A 1 154 ? -27.909 -22.488 -18.761 1.00 9.90  ? 160 PHE B CE2 1 
ATOM   1331 C CZ  . PHE A 1 154 ? -28.062 -21.151 -18.503 1.00 9.44  ? 160 PHE B CZ  1 
ATOM   1332 N N   . SER A 1 155 ? -22.031 -25.337 -17.659 1.00 11.37 ? 161 SER B N   1 
ATOM   1333 C CA  . SER A 1 155 ? -20.870 -26.112 -18.129 1.00 11.78 ? 161 SER B CA  1 
ATOM   1334 C C   . SER A 1 155 ? -21.386 -27.261 -18.971 1.00 11.53 ? 161 SER B C   1 
ATOM   1335 O O   . SER A 1 155 ? -22.567 -27.542 -19.054 1.00 12.86 ? 161 SER B O   1 
ATOM   1336 C CB  . SER A 1 155 ? -20.059 -26.544 -16.957 1.00 12.42 ? 161 SER B CB  1 
ATOM   1337 O OG  . SER A 1 155 ? -20.783 -27.460 -16.185 1.00 15.70 ? 161 SER B OG  1 
ATOM   1338 N N   . GLU A 1 156 ? -20.440 -27.919 -19.670 1.00 12.98 ? 162 GLU B N   1 
ATOM   1339 C CA  . GLU A 1 156 ? -20.781 -29.007 -20.632 1.00 14.92 ? 162 GLU B CA  1 
ATOM   1340 C C   . GLU A 1 156 ? -21.745 -28.470 -21.693 1.00 12.92 ? 162 GLU B C   1 
ATOM   1341 O O   . GLU A 1 156 ? -22.676 -29.180 -22.155 1.00 14.56 ? 162 GLU B O   1 
ATOM   1342 C CB  . GLU A 1 156 ? -21.381 -30.223 -19.932 1.00 17.97 ? 162 GLU B CB  1 
ATOM   1343 C CG  . GLU A 1 156 ? -20.628 -30.733 -18.707 1.00 22.14 ? 162 GLU B CG  1 
ATOM   1344 C CD  . GLU A 1 156 ? -21.257 -32.023 -18.244 1.00 31.49 ? 162 GLU B CD  1 
ATOM   1345 O OE1 . GLU A 1 156 ? -22.388 -31.983 -17.679 1.00 33.09 ? 162 GLU B OE1 1 
ATOM   1346 O OE2 . GLU A 1 156 ? -20.702 -33.071 -18.611 1.00 39.53 ? 162 GLU B OE2 1 
ATOM   1347 N N   . CYS A 1 157 ? -21.525 -27.218 -22.073 1.00 11.80 ? 163 CYS B N   1 
ATOM   1348 C CA  . CYS A 1 157 ? -22.395 -26.604 -23.100 1.00 11.52 ? 163 CYS B CA  1 
ATOM   1349 C C   . CYS A 1 157 ? -22.123 -27.252 -24.468 1.00 12.57 ? 163 CYS B C   1 
ATOM   1350 O O   . CYS A 1 157 ? -20.936 -27.446 -24.823 1.00 13.66 ? 163 CYS B O   1 
ATOM   1351 C CB  . CYS A 1 157 ? -22.191 -25.092 -23.238 1.00 11.01 ? 163 CYS B CB  1 
ATOM   1352 S SG  . CYS A 1 157 ? -22.634 -24.147 -21.756 1.00 11.74 ? 163 CYS B SG  1 
ATOM   1353 N N   . VAL A 1 158 ? -23.180 -27.476 -25.217 1.00 12.29 ? 164 VAL B N   1 
ATOM   1354 C CA  . VAL A 1 158 ? -23.047 -27.996 -26.606 1.00 12.95 ? 164 VAL B CA  1 
ATOM   1355 C C   . VAL A 1 158 ? -23.515 -26.858 -27.517 1.00 11.50 ? 164 VAL B C   1 
ATOM   1356 O O   . VAL A 1 158 ? -24.703 -26.785 -27.886 1.00 13.21 ? 164 VAL B O   1 
ATOM   1357 C CB  . VAL A 1 158 ? -23.768 -29.354 -26.755 1.00 14.69 ? 164 VAL B CB  1 
ATOM   1358 C CG1 . VAL A 1 158 ? -23.633 -29.835 -28.213 1.00 15.18 ? 164 VAL B CG1 1 
ATOM   1359 C CG2 . VAL A 1 158 ? -23.210 -30.385 -25.766 1.00 15.84 ? 164 VAL B CG2 1 
ATOM   1360 N N   . PHE A 1 159 ? -22.646 -25.929 -27.845 1.00 11.28 ? 165 PHE B N   1 
ATOM   1361 C CA  . PHE A 1 159 ? -23.003 -24.692 -28.589 1.00 12.42 ? 165 PHE B CA  1 
ATOM   1362 C C   . PHE A 1 159 ? -23.555 -25.054 -29.960 1.00 12.81 ? 165 PHE B C   1 
ATOM   1363 O O   . PHE A 1 159 ? -24.556 -24.467 -30.390 1.00 13.42 ? 165 PHE B O   1 
ATOM   1364 C CB  . PHE A 1 159 ? -21.842 -23.711 -28.618 1.00 12.02 ? 165 PHE B CB  1 
ATOM   1365 C CG  . PHE A 1 159 ? -21.403 -23.226 -27.254 1.00 11.15 ? 165 PHE B CG  1 
ATOM   1366 C CD1 . PHE A 1 159 ? -22.338 -22.712 -26.347 1.00 10.50 ? 165 PHE B CD1 1 
ATOM   1367 C CD2 . PHE A 1 159 ? -20.077 -23.221 -26.889 1.00 12.66 ? 165 PHE B CD2 1 
ATOM   1368 C CE1 . PHE A 1 159 ? -21.929 -22.264 -25.089 1.00 11.28 ? 165 PHE B CE1 1 
ATOM   1369 C CE2 . PHE A 1 159 ? -19.659 -22.767 -25.644 1.00 12.30 ? 165 PHE B CE2 1 
ATOM   1370 C CZ  . PHE A 1 159 ? -20.587 -22.252 -24.758 1.00 11.96 ? 165 PHE B CZ  1 
ATOM   1371 N N   . ALA A 1 160 ? -22.861 -25.922 -30.700 1.00 12.38 ? 166 ALA B N   1 
ATOM   1372 C CA  . ALA A 1 160 ? -23.319 -26.504 -31.987 1.00 12.85 ? 166 ALA B CA  1 
ATOM   1373 C C   . ALA A 1 160 ? -23.469 -25.437 -33.060 1.00 12.62 ? 166 ALA B C   1 
ATOM   1374 O O   . ALA A 1 160 ? -24.284 -25.650 -34.016 1.00 13.28 ? 166 ALA B O   1 
ATOM   1375 C CB  . ALA A 1 160 ? -24.559 -27.291 -31.803 1.00 13.15 ? 166 ALA B CB  1 
ATOM   1376 N N   . GLY A 1 161 ? -22.730 -24.373 -32.983 1.00 12.53 ? 167 GLY B N   1 
ATOM   1377 C CA  . GLY A 1 161 ? -22.752 -23.292 -33.981 1.00 12.89 ? 167 GLY B CA  1 
ATOM   1378 C C   . GLY A 1 161 ? -22.044 -22.064 -33.477 1.00 12.19 ? 167 GLY B C   1 
ATOM   1379 O O   . GLY A 1 161 ? -21.608 -22.024 -32.290 1.00 12.20 ? 167 GLY B O   1 
ATOM   1380 N N   . PRO A 1 162 ? -21.892 -21.037 -34.302 1.00 11.33 ? 168 PRO B N   1 
ATOM   1381 C CA  . PRO A 1 162 ? -21.429 -19.740 -33.849 1.00 11.52 ? 168 PRO B CA  1 
ATOM   1382 C C   . PRO A 1 162 ? -22.379 -19.183 -32.763 1.00 11.33 ? 168 PRO B C   1 
ATOM   1383 O O   . PRO A 1 162 ? -23.590 -19.438 -32.843 1.00 11.98 ? 168 PRO B O   1 
ATOM   1384 C CB  . PRO A 1 162 ? -21.423 -18.841 -35.102 1.00 11.57 ? 168 PRO B CB  1 
ATOM   1385 C CG  . PRO A 1 162 ? -21.523 -19.860 -36.258 1.00 11.75 ? 168 PRO B CG  1 
ATOM   1386 C CD  . PRO A 1 162 ? -22.300 -20.999 -35.722 1.00 11.46 ? 168 PRO B CD  1 
ATOM   1387 N N   . LEU A 1 163 ? -21.808 -18.415 -31.855 1.00 10.92 ? 169 LEU B N   1 
ATOM   1388 C CA  . LEU A 1 163 ? -22.571 -17.751 -30.762 1.00 10.79 ? 169 LEU B CA  1 
ATOM   1389 C C   . LEU A 1 163 ? -22.673 -16.259 -31.032 1.00 11.17 ? 169 LEU B C   1 
ATOM   1390 O O   . LEU A 1 163 ? -21.729 -15.623 -31.494 1.00 12.21 ? 169 LEU B O   1 
ATOM   1391 C CB  . LEU A 1 163 ? -21.873 -18.010 -29.416 1.00 11.24 ? 169 LEU B CB  1 
ATOM   1392 C CG  . LEU A 1 163 ? -21.919 -19.434 -28.865 1.00 12.17 ? 169 LEU B CG  1 
ATOM   1393 C CD1 . LEU A 1 163 ? -21.081 -19.502 -27.601 1.00 12.17 ? 169 LEU B CD1 1 
ATOM   1394 C CD2 . LEU A 1 163 ? -23.349 -19.912 -28.648 1.00 12.56 ? 169 LEU B CD2 1 
ATOM   1395 N N   . ARG A 1 164 ? -23.802 -15.699 -30.596 1.00 10.73 ? 170 ARG B N   1 
ATOM   1396 C CA  . ARG A 1 164 ? -24.033 -14.251 -30.597 1.00 10.59 ? 170 ARG B CA  1 
ATOM   1397 C C   . ARG A 1 164 ? -24.460 -13.771 -29.206 1.00 9.08  ? 170 ARG B C   1 
ATOM   1398 O O   . ARG A 1 164 ? -25.244 -14.468 -28.543 1.00 10.18 ? 170 ARG B O   1 
ATOM   1399 C CB  . ARG A 1 164 ? -25.094 -13.871 -31.647 1.00 11.25 ? 170 ARG B CB  1 
ATOM   1400 C CG  . ARG A 1 164 ? -24.642 -14.226 -33.075 1.00 12.97 ? 170 ARG B CG  1 
ATOM   1401 C CD  . ARG A 1 164 ? -25.614 -13.857 -34.191 1.00 13.40 ? 170 ARG B CD  1 
ATOM   1402 N NE  . ARG A 1 164 ? -25.695 -12.414 -34.277 1.00 13.81 ? 170 ARG B NE  1 
ATOM   1403 C CZ  . ARG A 1 164 ? -26.395 -11.788 -35.209 1.00 14.49 ? 170 ARG B CZ  1 
ATOM   1404 N NH1 . ARG A 1 164 ? -27.009 -12.468 -36.144 1.00 15.21 ? 170 ARG B NH1 1 
ATOM   1405 N NH2 . ARG A 1 164 ? -26.436 -10.487 -35.193 1.00 14.84 ? 170 ARG B NH2 1 
ATOM   1406 N N   . PRO A 1 165 ? -24.006 -12.576 -28.782 1.00 9.24  ? 171 PRO B N   1 
ATOM   1407 C CA  . PRO A 1 165 ? -24.560 -11.978 -27.557 1.00 9.49  ? 171 PRO B CA  1 
ATOM   1408 C C   . PRO A 1 165 ? -26.082 -11.830 -27.721 1.00 9.02  ? 171 PRO B C   1 
ATOM   1409 O O   . PRO A 1 165 ? -26.594 -11.485 -28.774 1.00 10.10 ? 171 PRO B O   1 
ATOM   1410 C CB  . PRO A 1 165 ? -23.863 -10.640 -27.442 1.00 9.64  ? 171 PRO B CB  1 
ATOM   1411 C CG  . PRO A 1 165 ? -22.579 -10.770 -28.300 1.00 11.23 ? 171 PRO B CG  1 
ATOM   1412 C CD  . PRO A 1 165 ? -22.989 -11.713 -29.403 1.00 11.19 ? 171 PRO B CD  1 
ATOM   1413 N N   . PHE A 1 166 ? -26.819 -12.094 -26.639 1.00 8.88  ? 172 PHE B N   1 
ATOM   1414 C CA  . PHE A 1 166 ? -28.286 -12.112 -26.600 1.00 9.22  ? 172 PHE B CA  1 
ATOM   1415 C C   . PHE A 1 166 ? -28.809 -11.175 -25.501 1.00 8.72  ? 172 PHE B C   1 
ATOM   1416 O O   . PHE A 1 166 ? -28.303 -11.174 -24.375 1.00 8.83  ? 172 PHE B O   1 
ATOM   1417 C CB  . PHE A 1 166 ? -28.771 -13.526 -26.335 1.00 9.98  ? 172 PHE B CB  1 
ATOM   1418 C CG  . PHE A 1 166 ? -30.262 -13.634 -26.140 1.00 9.49  ? 172 PHE B CG  1 
ATOM   1419 C CD1 . PHE A 1 166 ? -31.110 -13.629 -27.242 1.00 10.84 ? 172 PHE B CD1 1 
ATOM   1420 C CD2 . PHE A 1 166 ? -30.834 -13.667 -24.880 1.00 10.91 ? 172 PHE B CD2 1 
ATOM   1421 C CE1 . PHE A 1 166 ? -32.482 -13.684 -27.065 1.00 10.69 ? 172 PHE B CE1 1 
ATOM   1422 C CE2 . PHE A 1 166 ? -32.205 -13.662 -24.716 1.00 10.50 ? 172 PHE B CE2 1 
ATOM   1423 C CZ  . PHE A 1 166 ? -33.029 -13.697 -25.810 1.00 11.19 ? 172 PHE B CZ  1 
ATOM   1424 N N   . PHE A 1 167 ? -29.877 -10.443 -25.833 1.00 8.75  ? 173 PHE B N   1 
ATOM   1425 C CA  . PHE A 1 167 ? -30.469 -9.421  -24.947 1.00 8.85  ? 173 PHE B CA  1 
ATOM   1426 C C   . PHE A 1 167 ? -31.983 -9.493  -25.059 1.00 9.12  ? 173 PHE B C   1 
ATOM   1427 O O   . PHE A 1 167 ? -32.530 -9.554  -26.179 1.00 9.73  ? 173 PHE B O   1 
ATOM   1428 C CB  . PHE A 1 167 ? -30.046 -8.000  -25.324 1.00 9.28  ? 173 PHE B CB  1 
ATOM   1429 C CG  . PHE A 1 167 ? -28.545 -7.854  -25.453 1.00 9.25  ? 173 PHE B CG  1 
ATOM   1430 C CD1 . PHE A 1 167 ? -27.888 -8.148  -26.640 1.00 9.24  ? 173 PHE B CD1 1 
ATOM   1431 C CD2 . PHE A 1 167 ? -27.771 -7.386  -24.403 1.00 10.56 ? 173 PHE B CD2 1 
ATOM   1432 C CE1 . PHE A 1 167 ? -26.499 -8.064  -26.758 1.00 9.62  ? 173 PHE B CE1 1 
ATOM   1433 C CE2 . PHE A 1 167 ? -26.392 -7.263  -24.530 1.00 10.94 ? 173 PHE B CE2 1 
ATOM   1434 C CZ  . PHE A 1 167 ? -25.756 -7.594  -25.708 1.00 10.93 ? 173 PHE B CZ  1 
ATOM   1435 N N   . ASN A 1 168 ? -32.677 -9.267  -23.945 1.00 9.41  ? 174 ASN B N   1 
ATOM   1436 C CA  . ASN A 1 168 ? -34.137 -9.018  -23.902 1.00 8.83  ? 174 ASN B CA  1 
ATOM   1437 C C   . ASN A 1 168 ? -34.349 -7.873  -22.922 1.00 9.00  ? 174 ASN B C   1 
ATOM   1438 O O   . ASN A 1 168 ? -34.032 -8.044  -21.730 1.00 9.67  ? 174 ASN B O   1 
ATOM   1439 C CB  . ASN A 1 168 ? -34.912 -10.246 -23.466 1.00 8.88  ? 174 ASN B CB  1 
ATOM   1440 C CG  . ASN A 1 168 ? -36.411 -10.068 -23.555 1.00 10.41 ? 174 ASN B CG  1 
ATOM   1441 O OD1 . ASN A 1 168 ? -36.908 -8.995  -23.884 1.00 11.49 ? 174 ASN B OD1 1 
ATOM   1442 N ND2 . ASN A 1 168 ? -37.151 -11.125 -23.309 1.00 11.97 ? 174 ASN B ND2 1 
ATOM   1443 N N   . VAL A 1 169 ? -34.859 -6.729  -23.375 1.00 9.31  ? 175 VAL B N   1 
ATOM   1444 C CA  . VAL A 1 169 ? -35.122 -5.584  -22.468 1.00 9.59  ? 175 VAL B CA  1 
ATOM   1445 C C   . VAL A 1 169 ? -36.376 -5.822  -21.629 1.00 9.71  ? 175 VAL B C   1 
ATOM   1446 O O   . VAL A 1 169 ? -36.617 -5.021  -20.717 1.00 10.34 ? 175 VAL B O   1 
ATOM   1447 C CB  . VAL A 1 169 ? -35.225 -4.240  -23.214 1.00 9.96  ? 175 VAL B CB  1 
ATOM   1448 C CG1 . VAL A 1 169 ? -33.932 -3.904  -23.920 1.00 11.46 ? 175 VAL B CG1 1 
ATOM   1449 C CG2 . VAL A 1 169 ? -36.380 -4.196  -24.196 1.00 10.76 ? 175 VAL B CG2 1 
ATOM   1450 N N   . GLY A 1 170 ? -37.190 -6.819  -21.984 1.00 10.02 ? 176 GLY B N   1 
ATOM   1451 C CA  . GLY A 1 170 ? -38.468 -7.070  -21.290 1.00 10.47 ? 176 GLY B CA  1 
ATOM   1452 C C   . GLY A 1 170 ? -39.563 -6.118  -21.721 1.00 10.07 ? 176 GLY B C   1 
ATOM   1453 O O   . GLY A 1 170 ? -39.350 -5.080  -22.303 1.00 10.28 ? 176 GLY B O   1 
ATOM   1454 N N   . PHE A 1 171 ? -40.800 -6.560  -21.482 1.00 11.11 ? 177 PHE B N   1 
ATOM   1455 C CA  . PHE A 1 171 ? -42.005 -5.720  -21.669 1.00 10.86 ? 177 PHE B CA  1 
ATOM   1456 C C   . PHE A 1 171 ? -42.070 -4.650  -20.596 1.00 10.49 ? 177 PHE B C   1 
ATOM   1457 O O   . PHE A 1 171 ? -41.342 -4.702  -19.587 1.00 10.56 ? 177 PHE B O   1 
ATOM   1458 C CB  . PHE A 1 171 ? -43.281 -6.570  -21.705 1.00 12.28 ? 177 PHE B CB  1 
ATOM   1459 C CG  . PHE A 1 171 ? -43.415 -7.437  -22.936 1.00 13.05 ? 177 PHE B CG  1 
ATOM   1460 C CD1 . PHE A 1 171 ? -43.759 -6.887  -24.148 1.00 14.50 ? 177 PHE B CD1 1 
ATOM   1461 C CD2 . PHE A 1 171 ? -43.184 -8.795  -22.872 1.00 14.62 ? 177 PHE B CD2 1 
ATOM   1462 C CE1 . PHE A 1 171 ? -43.860 -7.692  -25.279 1.00 16.36 ? 177 PHE B CE1 1 
ATOM   1463 C CE2 . PHE A 1 171 ? -43.312 -9.588  -24.012 1.00 15.91 ? 177 PHE B CE2 1 
ATOM   1464 C CZ  . PHE A 1 171 ? -43.672 -9.031  -25.177 1.00 16.67 ? 177 PHE B CZ  1 
ATOM   1465 N N   . ASN A 1 172 ? -42.924 -3.670  -20.829 1.00 11.19 ? 178 ASN B N   1 
ATOM   1466 C CA  . ASN A 1 172 ? -43.103 -2.574  -19.858 1.00 9.83  ? 178 ASN B CA  1 
ATOM   1467 C C   . ASN A 1 172 ? -44.613 -2.407  -19.644 1.00 10.35 ? 178 ASN B C   1 
ATOM   1468 O O   . ASN A 1 172 ? -45.127 -1.285  -19.715 1.00 12.37 ? 178 ASN B O   1 
ATOM   1469 C CB  . ASN A 1 172 ? -42.433 -1.290  -20.313 1.00 10.72 ? 178 ASN B CB  1 
ATOM   1470 C CG  . ASN A 1 172 ? -42.475 -0.212  -19.271 1.00 11.12 ? 178 ASN B CG  1 
ATOM   1471 O OD1 . ASN A 1 172 ? -42.542 -0.467  -18.091 1.00 11.27 ? 178 ASN B OD1 1 
ATOM   1472 N ND2 . ASN A 1 172 ? -42.416 1.024   -19.729 1.00 12.56 ? 178 ASN B ND2 1 
ATOM   1473 N N   . TYR A 1 173 ? -45.288 -3.470  -19.273 1.00 10.88 ? 179 TYR B N   1 
ATOM   1474 C CA  . TYR A 1 173 ? -46.725 -3.385  -18.884 1.00 10.75 ? 179 TYR B CA  1 
ATOM   1475 C C   . TYR A 1 173 ? -46.863 -2.580  -17.601 1.00 11.52 ? 179 TYR B C   1 
ATOM   1476 O O   . TYR A 1 173 ? -47.948 -1.930  -17.403 1.00 12.66 ? 179 TYR B O   1 
ATOM   1477 C CB  . TYR A 1 173 ? -47.311 -4.781  -18.680 1.00 11.31 ? 179 TYR B CB  1 
ATOM   1478 C CG  . TYR A 1 173 ? -47.387 -5.633  -19.919 1.00 13.94 ? 179 TYR B CG  1 
ATOM   1479 C CD1 . TYR A 1 173 ? -48.336 -5.371  -20.908 1.00 17.35 ? 179 TYR B CD1 1 
ATOM   1480 C CD2 . TYR A 1 173 ? -46.571 -6.745  -20.072 1.00 15.27 ? 179 TYR B CD2 1 
ATOM   1481 C CE1 . TYR A 1 173 ? -48.388 -6.127  -22.076 1.00 18.86 ? 179 TYR B CE1 1 
ATOM   1482 C CE2 . TYR A 1 173 ? -46.621 -7.510  -21.246 1.00 16.54 ? 179 TYR B CE2 1 
ATOM   1483 C CZ  . TYR A 1 173 ? -47.538 -7.201  -22.219 1.00 18.58 ? 179 TYR B CZ  1 
ATOM   1484 O OH  . TYR A 1 173 ? -47.652 -7.964  -23.363 1.00 23.31 ? 179 TYR B OH  1 
ATOM   1485 N N   . SER A 1 174 ? -45.922 -2.615  -16.663 1.00 10.87 ? 180 SER B N   1 
ATOM   1486 C CA  . SER A 1 174 ? -46.042 -2.013  -15.321 1.00 12.45 ? 180 SER B CA  1 
ATOM   1487 C C   . SER A 1 174 ? -45.766 -0.505  -15.368 1.00 11.34 ? 180 SER B C   1 
ATOM   1488 O O   . SER A 1 174 ? -46.083 0.197   -14.392 1.00 13.38 ? 180 SER B O   1 
ATOM   1489 C CB  . SER A 1 174 ? -45.097 -2.615  -14.362 1.00 11.74 ? 180 SER B CB  1 
ATOM   1490 O OG  . SER A 1 174 ? -43.747 -2.353  -14.819 1.00 12.22 ? 180 SER B OG  1 
ATOM   1491 N N   . GLY A 1 175 ? -45.096 -0.005  -16.399 1.00 10.85 ? 181 GLY B N   1 
ATOM   1492 C CA  . GLY A 1 175 ? -44.561 1.364   -16.350 1.00 11.76 ? 181 GLY B CA  1 
ATOM   1493 C C   . GLY A 1 175 ? -43.302 1.478   -15.525 1.00 11.93 ? 181 GLY B C   1 
ATOM   1494 O O   . GLY A 1 175 ? -42.785 2.609   -15.425 1.00 14.20 ? 181 GLY B O   1 
ATOM   1495 N N   . GLY A 1 176 ? -42.790 0.396   -14.939 1.00 11.29 ? 182 GLY B N   1 
ATOM   1496 C CA  . GLY A 1 176 ? -41.563 0.439   -14.133 1.00 11.34 ? 182 GLY B CA  1 
ATOM   1497 C C   . GLY A 1 176 ? -40.364 -0.200  -14.839 1.00 11.55 ? 182 GLY B C   1 
ATOM   1498 O O   . GLY A 1 176 ? -39.312 -0.297  -14.169 1.00 12.42 ? 182 GLY B O   1 
ATOM   1499 N N   . ASN A 1 177 ? -40.468 -0.598  -16.089 1.00 10.24 ? 183 ASN B N   1 
ATOM   1500 C CA  . ASN A 1 177 ? -39.380 -1.323  -16.781 1.00 9.85  ? 183 ASN B CA  1 
ATOM   1501 C C   . ASN A 1 177 ? -38.942 -0.613  -18.058 1.00 10.15 ? 183 ASN B C   1 
ATOM   1502 O O   . ASN A 1 177 ? -38.407 -1.277  -18.951 1.00 10.99 ? 183 ASN B O   1 
ATOM   1503 C CB  . ASN A 1 177 ? -39.763 -2.771  -17.084 1.00 9.88  ? 183 ASN B CB  1 
ATOM   1504 C CG  . ASN A 1 177 ? -38.557 -3.628  -17.401 1.00 9.42  ? 183 ASN B CG  1 
ATOM   1505 O OD1 . ASN A 1 177 ? -37.516 -3.440  -16.781 1.00 10.39 ? 183 ASN B OD1 1 
ATOM   1506 N ND2 . ASN A 1 177 ? -38.736 -4.549  -18.334 1.00 9.91  ? 183 ASN B ND2 1 
ATOM   1507 N N   . ALA A 1 178 ? -39.036 0.701   -18.135 1.00 10.52 ? 184 ALA B N   1 
ATOM   1508 C CA  . ALA A 1 178 ? -38.648 1.450   -19.353 1.00 11.11 ? 184 ALA B CA  1 
ATOM   1509 C C   . ALA A 1 178 ? -37.137 1.556   -19.517 1.00 11.00 ? 184 ALA B C   1 
ATOM   1510 O O   . ALA A 1 178 ? -36.671 1.847   -20.632 1.00 12.16 ? 184 ALA B O   1 
ATOM   1511 C CB  . ALA A 1 178 ? -39.245 2.875   -19.341 1.00 11.69 ? 184 ALA B CB  1 
ATOM   1512 N N   . ALA A 1 179 ? -36.375 1.421   -18.442 1.00 10.35 ? 185 ALA B N   1 
ATOM   1513 C CA  . ALA A 1 179 ? -34.929 1.717   -18.507 1.00 10.88 ? 185 ALA B CA  1 
ATOM   1514 C C   . ALA A 1 179 ? -34.224 0.836   -19.544 1.00 10.97 ? 185 ALA B C   1 
ATOM   1515 O O   . ALA A 1 179 ? -34.594 -0.311  -19.801 1.00 10.66 ? 185 ALA B O   1 
ATOM   1516 C CB  . ALA A 1 179 ? -34.296 1.560   -17.161 1.00 11.22 ? 185 ALA B CB  1 
ATOM   1517 N N   . PRO A 1 180 ? -33.129 1.329   -20.144 1.00 10.84 ? 186 PRO B N   1 
ATOM   1518 C CA  . PRO A 1 180 ? -32.384 0.560   -21.144 1.00 11.19 ? 186 PRO B CA  1 
ATOM   1519 C C   . PRO A 1 180 ? -31.460 -0.541  -20.570 1.00 10.21 ? 186 PRO B C   1 
ATOM   1520 O O   . PRO A 1 180 ? -31.101 -0.506  -19.412 1.00 11.62 ? 186 PRO B O   1 
ATOM   1521 C CB  . PRO A 1 180 ? -31.503 1.653   -21.803 1.00 12.50 ? 186 PRO B CB  1 
ATOM   1522 C CG  . PRO A 1 180 ? -31.239 2.618   -20.687 1.00 14.25 ? 186 PRO B CG  1 
ATOM   1523 C CD  . PRO A 1 180 ? -32.589 2.689   -19.971 1.00 13.37 ? 186 PRO B CD  1 
ATOM   1524 N N   . LEU A 1 181 ? -31.086 -1.476  -21.426 1.00 11.01 ? 187 LEU B N   1 
ATOM   1525 C CA  . LEU A 1 181 ? -29.834 -2.246  -21.267 1.00 10.49 ? 187 LEU B CA  1 
ATOM   1526 C C   . LEU A 1 181 ? -28.705 -1.453  -21.911 1.00 10.82 ? 187 LEU B C   1 
ATOM   1527 O O   . LEU A 1 181 ? -28.892 -0.931  -23.033 1.00 12.99 ? 187 LEU B O   1 
ATOM   1528 C CB  . LEU A 1 181 ? -29.975 -3.607  -21.910 1.00 10.45 ? 187 LEU B CB  1 
ATOM   1529 C CG  . LEU A 1 181 ? -31.001 -4.544  -21.278 1.00 11.34 ? 187 LEU B CG  1 
ATOM   1530 C CD1 . LEU A 1 181 ? -31.175 -5.820  -22.103 1.00 12.05 ? 187 LEU B CD1 1 
ATOM   1531 C CD2 . LEU A 1 181 ? -30.653 -4.938  -19.844 1.00 12.02 ? 187 LEU B CD2 1 
ATOM   1532 N N   . LYS A 1 182 ? -27.561 -1.357  -21.245 1.00 11.09 ? 188 LYS B N   1 
ATOM   1533 C CA  . LYS A 1 182 ? -26.408 -0.618  -21.806 1.00 12.44 ? 188 LYS B CA  1 
ATOM   1534 C C   . LYS A 1 182 ? -25.181 -1.515  -21.766 1.00 12.18 ? 188 LYS B C   1 
ATOM   1535 O O   . LYS A 1 182 ? -24.827 -2.038  -20.678 1.00 12.68 ? 188 LYS B O   1 
ATOM   1536 C CB  . LYS A 1 182 ? -26.123 0.671   -21.029 1.00 14.08 ? 188 LYS B CB  1 
ATOM   1537 C CG  . LYS A 1 182 ? -27.286 1.619   -20.795 1.00 16.72 ? 188 LYS B CG  1 
ATOM   1538 C CD  . LYS A 1 182 ? -26.851 2.957   -20.197 1.00 19.83 ? 188 LYS B CD  1 
ATOM   1539 C CE  . LYS A 1 182 ? -27.988 3.837   -19.738 1.00 22.93 ? 188 LYS B CE  1 
ATOM   1540 N NZ  . LYS A 1 182 ? -27.433 5.001   -19.002 1.00 28.38 ? 188 LYS B NZ  1 
ATOM   1541 N N   . LEU A 1 183 ? -24.457 -1.602  -22.846 1.00 12.26 ? 189 LEU B N   1 
ATOM   1542 C CA  . LEU A 1 183 ? -23.113 -2.234  -22.853 1.00 12.58 ? 189 LEU B CA  1 
ATOM   1543 C C   . LEU A 1 183 ? -22.116 -1.271  -22.217 1.00 14.02 ? 189 LEU B C   1 
ATOM   1544 O O   . LEU A 1 183 ? -21.949 -0.127  -22.741 1.00 17.47 ? 189 LEU B O   1 
ATOM   1545 C CB  . LEU A 1 183 ? -22.762 -2.616  -24.290 1.00 13.38 ? 189 LEU B CB  1 
ATOM   1546 C CG  . LEU A 1 183 ? -23.525 -3.857  -24.756 1.00 14.60 ? 189 LEU B CG  1 
ATOM   1547 C CD1 . LEU A 1 183 ? -23.747 -3.947  -26.270 1.00 17.83 ? 189 LEU B CD1 1 
ATOM   1548 C CD2 . LEU A 1 183 ? -22.886 -5.119  -24.195 1.00 12.52 ? 189 LEU B CD2 1 
ATOM   1549 N N   . CYS A 1 184 ? -21.490 -1.716  -21.141 1.00 15.40 ? 190 CYS B N   1 
ATOM   1550 C CA  . CYS A 1 184 ? -20.563 -0.886  -20.314 1.00 18.38 ? 190 CYS B CA  1 
ATOM   1551 C C   . CYS A 1 184 ? -19.197 -0.810  -20.965 1.00 19.41 ? 190 CYS B C   1 
ATOM   1552 O O   . CYS A 1 184 ? -18.718 -1.780  -21.526 1.00 21.11 ? 190 CYS B O   1 
ATOM   1553 C CB  . CYS A 1 184 ? -20.243 -1.544  -18.988 1.00 20.33 ? 190 CYS B CB  1 
ATOM   1554 S SG  . CYS A 1 184 ? -21.671 -2.076  -18.055 1.00 20.97 ? 190 CYS B SG  1 
ATOM   1555 N N   . PRO A 1 185 ? -18.515 0.347   -20.851 1.00 26.03 ? 191 PRO B N   1 
ATOM   1556 C CA  . PRO A 1 185 ? -17.198 0.519   -21.439 1.00 30.41 ? 191 PRO B CA  1 
ATOM   1557 C C   . PRO A 1 185 ? -16.217 -0.377  -20.685 1.00 30.53 ? 191 PRO B C   1 
ATOM   1558 O O   . PRO A 1 185 ? -16.421 -0.613  -19.491 1.00 31.84 ? 191 PRO B O   1 
ATOM   1559 C CB  . PRO A 1 185 ? -16.934 2.028   -21.269 1.00 30.02 ? 191 PRO B CB  1 
ATOM   1560 C CG  . PRO A 1 185 ? -17.757 2.423   -20.073 1.00 29.54 ? 191 PRO B CG  1 
ATOM   1561 C CD  . PRO A 1 185 ? -18.993 1.554   -20.162 1.00 27.52 ? 191 PRO B CD  1 
ATOM   1562 N N   . LEU A 1 186 ? -15.224 -0.856  -21.434 1.00 36.61 ? 192 LEU B N   1 
ATOM   1563 C CA  . LEU A 1 186 ? -13.953 -1.480  -20.979 1.00 38.45 ? 192 LEU B CA  1 
ATOM   1564 C C   . LEU A 1 186 ? -13.215 -0.517  -20.046 1.00 44.34 ? 192 LEU B C   1 
ATOM   1565 O O   . LEU A 1 186 ? -12.289 -0.952  -19.358 1.00 55.00 ? 192 LEU B O   1 
ATOM   1566 C CB  . LEU A 1 186 ? -13.105 -1.782  -22.218 1.00 37.74 ? 192 LEU B CB  1 
HETATM 1567 C C1  . EDO B 2 .   ? -45.702 -3.410  -22.988 1.00 25.60 ? 201 EDO B C1  1 
HETATM 1568 O O1  . EDO B 2 .   ? -44.318 -3.181  -23.216 1.00 19.67 ? 201 EDO B O1  1 
HETATM 1569 C C2  . EDO B 2 .   ? -46.477 -4.006  -24.101 1.00 31.86 ? 201 EDO B C2  1 
HETATM 1570 O O2  . EDO B 2 .   ? -46.316 -3.278  -25.303 1.00 36.85 ? 201 EDO B O2  1 
HETATM 1571 N N1  . LHR C 3 .   ? -42.589 -13.258 -40.427 0.60 27.59 ? 202 LHR B N1  1 
HETATM 1572 N N3  . LHR C 3 .   ? -41.268 -9.751  -43.524 0.60 29.70 ? 202 LHR B N3  1 
HETATM 1573 C C4  . LHR C 3 .   ? -41.448 -13.734 -42.564 0.60 27.27 ? 202 LHR B C4  1 
HETATM 1574 C C5  . LHR C 3 .   ? -40.871 -13.305 -43.727 0.60 27.62 ? 202 LHR B C5  1 
HETATM 1575 C C6  . LHR C 3 .   ? -40.837 -11.925 -43.995 0.60 28.10 ? 202 LHR B C6  1 
HETATM 1576 C C7  . LHR C 3 .   ? -40.360 -11.126 -45.030 0.60 29.38 ? 202 LHR B C7  1 
HETATM 1577 C C8  . LHR C 3 .   ? -41.394 -11.014 -43.064 0.60 28.09 ? 202 LHR B C8  1 
HETATM 1578 C C1  . LHR C 3 .   ? -43.353 -14.617 -38.584 0.60 27.93 ? 202 LHR B C1  1 
HETATM 1579 C C2  . LHR C 3 .   ? -42.744 -14.519 -39.954 0.60 27.61 ? 202 LHR B C2  1 
HETATM 1580 O O1  . LHR C 3 .   ? -42.404 -15.527 -40.575 0.60 31.29 ? 202 LHR B O1  1 
HETATM 1581 C C3  . LHR C 3 .   ? -41.993 -12.829 -41.643 0.60 27.34 ? 202 LHR B C3  1 
HETATM 1582 N N2  . LHR C 3 .   ? -40.631 -9.845  -44.727 0.60 29.22 ? 202 LHR B N2  1 
HETATM 1583 C C9  . LHR C 3 .   ? -41.981 -11.474 -41.870 0.60 27.57 ? 202 LHR B C9  1 
HETATM 1584 C C1  . EDO D 2 .   ? -50.629 -16.902 -33.252 1.00 33.27 ? 203 EDO B C1  1 
HETATM 1585 O O1  . EDO D 2 .   ? -49.267 -16.489 -33.139 1.00 27.66 ? 203 EDO B O1  1 
HETATM 1586 C C2  . EDO D 2 .   ? -51.231 -17.118 -31.942 1.00 34.59 ? 203 EDO B C2  1 
HETATM 1587 O O2  . EDO D 2 .   ? -51.384 -15.891 -31.265 1.00 43.36 ? 203 EDO B O2  1 
HETATM 1588 S S   . SO4 E 4 .   ? -40.533 -24.594 -26.292 1.00 37.14 ? 204 SO4 B S   1 
HETATM 1589 O O1  . SO4 E 4 .   ? -39.760 -23.663 -27.052 1.00 24.89 ? 204 SO4 B O1  1 
HETATM 1590 O O2  . SO4 E 4 .   ? -41.512 -25.211 -27.139 1.00 43.94 ? 204 SO4 B O2  1 
HETATM 1591 O O3  . SO4 E 4 .   ? -39.656 -25.595 -25.733 1.00 42.41 ? 204 SO4 B O3  1 
HETATM 1592 O O4  . SO4 E 4 .   ? -41.222 -23.900 -25.217 1.00 38.54 ? 204 SO4 B O4  1 
HETATM 1593 O O   . HOH F 5 .   ? -26.911 -28.480 -27.910 1.00 18.80 ? 301 HOH B O   1 
HETATM 1594 O O   . HOH F 5 .   ? -22.737 -1.877  -9.817  1.00 25.25 ? 302 HOH B O   1 
HETATM 1595 O O   . HOH F 5 .   ? -40.177 -1.157  -9.847  1.00 25.79 ? 303 HOH B O   1 
HETATM 1596 O O   . HOH F 5 .   ? -32.982 1.096   -33.555 1.00 21.81 ? 304 HOH B O   1 
HETATM 1597 O O   . HOH F 5 .   ? -45.662 3.678   -34.181 1.00 15.97 ? 305 HOH B O   1 
HETATM 1598 O O   . HOH F 5 .   ? -47.282 1.513   -25.670 1.00 31.22 ? 306 HOH B O   1 
HETATM 1599 O O   . HOH F 5 .   ? -18.768 -21.989 -35.807 1.00 15.56 ? 307 HOH B O   1 
HETATM 1600 O O   . HOH F 5 .   ? -38.673 -15.296 -11.646 1.00 28.35 ? 308 HOH B O   1 
HETATM 1601 O O   . HOH F 5 .   ? -45.111 7.426   -24.573 1.00 38.89 ? 309 HOH B O   1 
HETATM 1602 O O   . HOH F 5 .   ? -38.134 2.786   -22.735 1.00 17.64 ? 310 HOH B O   1 
HETATM 1603 O O   . HOH F 5 .   ? -38.323 0.470   -11.903 1.00 35.39 ? 311 HOH B O   1 
HETATM 1604 O O   . HOH F 5 .   ? -13.514 -23.548 -31.678 1.00 14.57 ? 312 HOH B O   1 
HETATM 1605 O O   . HOH F 5 .   ? -26.289 3.390   -35.305 1.00 32.41 ? 313 HOH B O   1 
HETATM 1606 O O   . HOH F 5 .   ? -35.785 -19.181 -30.523 1.00 33.77 ? 314 HOH B O   1 
HETATM 1607 O O   . HOH F 5 .   ? -37.086 0.835   -15.571 1.00 15.45 ? 315 HOH B O   1 
HETATM 1608 O O   . HOH F 5 .   ? -15.677 -5.463  -13.649 1.00 28.52 ? 316 HOH B O   1 
HETATM 1609 O O   . HOH F 5 .   ? -24.567 -31.006 -22.032 1.00 32.77 ? 317 HOH B O   1 
HETATM 1610 O O   . HOH F 5 .   ? -35.911 -22.562 -19.638 1.00 23.28 ? 318 HOH B O   1 
HETATM 1611 O O   . HOH F 5 .   ? -26.158 -22.584 -36.297 1.00 26.18 ? 319 HOH B O   1 
HETATM 1612 O O   . HOH F 5 .   ? -37.094 -16.445 -39.240 1.00 27.06 ? 320 HOH B O   1 
HETATM 1613 O O   . HOH F 5 .   ? -9.541  -18.623 -30.265 1.00 40.40 ? 321 HOH B O   1 
HETATM 1614 O O   . HOH F 5 .   ? -45.569 0.102   -11.785 1.00 16.17 ? 322 HOH B O   1 
HETATM 1615 O O   . HOH F 5 .   ? -19.536 -29.701 -15.481 1.00 22.94 ? 323 HOH B O   1 
HETATM 1616 O O   . HOH F 5 .   ? -30.848 -6.711  -11.361 1.00 14.24 ? 324 HOH B O   1 
HETATM 1617 O O   . HOH F 5 .   ? -29.763 -12.534 -37.843 1.00 20.57 ? 325 HOH B O   1 
HETATM 1618 O O   . HOH F 5 .   ? -42.455 -11.286 -38.456 1.00 28.79 ? 326 HOH B O   1 
HETATM 1619 O O   . HOH F 5 .   ? -12.690 -21.335 -18.733 1.00 26.06 ? 327 HOH B O   1 
HETATM 1620 O O   . HOH F 5 .   ? -37.380 -25.492 -11.444 1.00 37.84 ? 328 HOH B O   1 
HETATM 1621 O O   . HOH F 5 .   ? -16.220 -19.648 -15.702 1.00 23.51 ? 329 HOH B O   1 
HETATM 1622 O O   . HOH F 5 .   ? -49.764 -1.666  -19.382 1.00 23.10 ? 330 HOH B O   1 
HETATM 1623 O O   . HOH F 5 .   ? -38.565 -7.648  -10.796 1.00 14.99 ? 331 HOH B O   1 
HETATM 1624 O O   . HOH F 5 .   ? -17.614 -21.384 -12.497 1.00 15.91 ? 332 HOH B O   1 
HETATM 1625 O O   . HOH F 5 .   ? -41.334 -8.007  -3.473  1.00 40.52 ? 333 HOH B O   1 
HETATM 1626 O O   . HOH F 5 .   ? -36.845 -25.963 -23.746 1.00 32.07 ? 334 HOH B O   1 
HETATM 1627 O O   . HOH F 5 .   ? -18.609 -4.678  -24.774 1.00 17.63 ? 335 HOH B O   1 
HETATM 1628 O O   . HOH F 5 .   ? -45.782 -14.701 -27.488 1.00 34.48 ? 336 HOH B O   1 
HETATM 1629 O O   . HOH F 5 .   ? -33.041 -18.159 -37.231 1.00 27.04 ? 337 HOH B O   1 
HETATM 1630 O O   . HOH F 5 .   ? -45.108 -7.818  -38.980 1.00 13.86 ? 338 HOH B O   1 
HETATM 1631 O O   . HOH F 5 .   ? -38.843 -2.481  -21.354 1.00 13.68 ? 339 HOH B O   1 
HETATM 1632 O O   . HOH F 5 .   ? -9.078  -13.507 -25.336 1.00 32.18 ? 340 HOH B O   1 
HETATM 1633 O O   . HOH F 5 .   ? -43.003 -15.345 -10.092 1.00 21.98 ? 341 HOH B O   1 
HETATM 1634 O O   . HOH F 5 .   ? -30.896 -20.339 -21.375 1.00 11.16 ? 342 HOH B O   1 
HETATM 1635 O O   . HOH F 5 .   ? -21.294 -6.082  -2.070  1.00 40.20 ? 343 HOH B O   1 
HETATM 1636 O O   . HOH F 5 .   ? -36.590 -23.050 -30.808 1.00 28.11 ? 344 HOH B O   1 
HETATM 1637 O O   . HOH F 5 .   ? -16.845 -5.618  -9.372  1.00 29.33 ? 345 HOH B O   1 
HETATM 1638 O O   . HOH F 5 .   ? -23.293 4.344   -24.760 1.00 25.90 ? 346 HOH B O   1 
HETATM 1639 O O   . HOH F 5 .   ? -26.507 -25.778 -16.417 1.00 15.89 ? 347 HOH B O   1 
HETATM 1640 O O   . HOH F 5 .   ? -45.231 -12.284 -26.405 1.00 31.00 ? 348 HOH B O   1 
HETATM 1641 O O   . HOH F 5 .   ? -19.435 -4.357  -22.132 1.00 15.21 ? 349 HOH B O   1 
HETATM 1642 O O   . HOH F 5 .   ? -27.195 -20.339 -7.007  1.00 15.95 ? 350 HOH B O   1 
HETATM 1643 O O   . HOH F 5 .   ? -41.124 -9.101  -36.579 1.00 33.10 ? 351 HOH B O   1 
HETATM 1644 O O   . HOH F 5 .   ? -34.136 -21.999 -31.430 1.00 17.15 ? 352 HOH B O   1 
HETATM 1645 O O   . HOH F 5 .   ? -17.646 -27.624 -19.684 1.00 16.70 ? 353 HOH B O   1 
HETATM 1646 O O   . HOH F 5 .   ? -19.229 -29.209 -23.550 1.00 20.22 ? 354 HOH B O   1 
HETATM 1647 O O   . HOH F 5 .   ? -28.407 -21.620 -9.005  1.00 16.25 ? 355 HOH B O   1 
HETATM 1648 O O   . HOH F 5 .   ? -36.284 -1.826  -33.763 1.00 16.29 ? 356 HOH B O   1 
HETATM 1649 O O   . HOH F 5 .   ? -40.780 -14.452 -8.486  1.00 28.33 ? 357 HOH B O   1 
HETATM 1650 O O   . HOH F 5 .   ? -23.941 1.163   -10.762 1.00 33.04 ? 358 HOH B O   1 
HETATM 1651 O O   . HOH F 5 .   ? -40.399 -14.399 -31.335 1.00 14.54 ? 359 HOH B O   1 
HETATM 1652 O O   . HOH F 5 .   ? -17.921 -19.840 -37.582 1.00 25.02 ? 360 HOH B O   1 
HETATM 1653 O O   . HOH F 5 .   ? -47.164 -17.109 -31.439 1.00 18.62 ? 361 HOH B O   1 
HETATM 1654 O O   . HOH F 5 .   ? -18.075 -4.439  -5.910  1.00 38.90 ? 362 HOH B O   1 
HETATM 1655 O O   . HOH F 5 .   ? -30.291 -23.915 -34.210 1.00 18.25 ? 363 HOH B O   1 
HETATM 1656 O O   . HOH F 5 .   ? -38.530 3.794   -42.253 1.00 25.05 ? 364 HOH B O   1 
HETATM 1657 O O   . HOH F 5 .   ? -35.456 -17.148 -8.206  1.00 33.27 ? 365 HOH B O   1 
HETATM 1658 O O   . HOH F 5 .   ? -33.919 -21.710 -36.745 1.00 35.04 ? 366 HOH B O   1 
HETATM 1659 O O   . HOH F 5 .   ? -9.400  -20.742 -29.012 1.00 32.43 ? 367 HOH B O   1 
HETATM 1660 O O   . HOH F 5 .   ? -10.910 -21.196 -25.202 1.00 27.05 ? 368 HOH B O   1 
HETATM 1661 O O   . HOH F 5 .   ? -26.790 -17.731 -7.790  1.00 15.65 ? 369 HOH B O   1 
HETATM 1662 O O   . HOH F 5 .   ? -42.585 -5.799  -12.227 1.00 18.12 ? 370 HOH B O   1 
HETATM 1663 O O   . HOH F 5 .   ? -10.374 -23.584 -21.855 1.00 28.04 ? 371 HOH B O   1 
HETATM 1664 O O   . HOH F 5 .   ? -30.789 1.121   -17.120 1.00 20.68 ? 372 HOH B O   1 
HETATM 1665 O O   . HOH F 5 .   ? -42.399 -3.826  -39.508 1.00 20.94 ? 373 HOH B O   1 
HETATM 1666 O O   . HOH F 5 .   ? -36.569 -1.008  -22.091 1.00 12.67 ? 374 HOH B O   1 
HETATM 1667 O O   . HOH F 5 .   ? -32.342 -5.002  -12.983 1.00 12.04 ? 375 HOH B O   1 
HETATM 1668 O O   . HOH F 5 .   ? -20.977 -16.499 -5.572  1.00 15.28 ? 376 HOH B O   1 
HETATM 1669 O O   . HOH F 5 .   ? -26.607 1.974   -11.036 1.00 24.27 ? 377 HOH B O   1 
HETATM 1670 O O   . HOH F 5 .   ? -13.518 -21.065 -35.160 1.00 27.28 ? 378 HOH B O   1 
HETATM 1671 O O   . HOH F 5 .   ? -23.338 2.313   -23.105 1.00 27.31 ? 379 HOH B O   1 
HETATM 1672 O O   . HOH F 5 .   ? -41.800 1.470   -22.544 1.00 31.03 ? 380 HOH B O   1 
HETATM 1673 O O   . HOH F 5 .   ? -43.878 -0.581  -24.266 1.00 25.09 ? 381 HOH B O   1 
HETATM 1674 O O   . HOH F 5 .   ? -38.105 -14.495 -21.319 1.00 31.41 ? 382 HOH B O   1 
HETATM 1675 O O   . HOH F 5 .   ? -27.836 -27.543 -25.811 1.00 31.20 ? 383 HOH B O   1 
HETATM 1676 O O   . HOH F 5 .   ? -25.989 -14.215 -2.984  1.00 25.96 ? 384 HOH B O   1 
HETATM 1677 O O   . HOH F 5 .   ? -16.135 -11.986 -5.514  1.00 43.07 ? 385 HOH B O   1 
HETATM 1678 O O   . HOH F 5 .   ? -33.612 -1.866  -38.415 1.00 25.68 ? 386 HOH B O   1 
HETATM 1679 O O   . HOH F 5 .   ? -23.869 -21.094 -38.856 1.00 20.65 ? 387 HOH B O   1 
HETATM 1680 O O   . HOH F 5 .   ? -19.839 1.739   -30.506 1.00 30.68 ? 388 HOH B O   1 
HETATM 1681 O O   . HOH F 5 .   ? -52.396 -14.198 -29.185 1.00 40.50 ? 389 HOH B O   1 
HETATM 1682 O O   . HOH F 5 .   ? -45.776 -19.675 -31.644 1.00 23.57 ? 390 HOH B O   1 
HETATM 1683 O O   . HOH F 5 .   ? -24.116 -12.383 -6.562  1.00 16.45 ? 391 HOH B O   1 
HETATM 1684 O O   . HOH F 5 .   ? -12.773 -18.462 -34.806 1.00 31.98 ? 392 HOH B O   1 
HETATM 1685 O O   . HOH F 5 .   ? -18.363 -17.392 -36.435 1.00 25.84 ? 393 HOH B O   1 
HETATM 1686 O O   . HOH F 5 .   ? -25.150 -11.124 -4.193  1.00 22.51 ? 394 HOH B O   1 
HETATM 1687 O O   . HOH F 5 .   ? -25.392 -10.491 -23.610 1.00 12.25 ? 395 HOH B O   1 
HETATM 1688 O O   . HOH F 5 .   ? -15.097 -19.789 -37.613 1.00 22.94 ? 396 HOH B O   1 
HETATM 1689 O O   . HOH F 5 .   ? -35.767 -3.396  -10.072 1.00 44.77 ? 397 HOH B O   1 
HETATM 1690 O O   . HOH F 5 .   ? -45.961 -4.237  -33.954 1.00 18.22 ? 398 HOH B O   1 
HETATM 1691 O O   . HOH F 5 .   ? -14.495 -16.504 -32.985 1.00 27.56 ? 399 HOH B O   1 
HETATM 1692 O O   . HOH F 5 .   ? -31.510 3.423   -26.810 1.00 22.02 ? 400 HOH B O   1 
HETATM 1693 O O   . HOH F 5 .   ? -33.402 -14.965 -7.043  1.00 19.98 ? 401 HOH B O   1 
HETATM 1694 O O   . HOH F 5 .   ? -25.715 -27.030 -23.851 1.00 16.81 ? 402 HOH B O   1 
HETATM 1695 O O   . HOH F 5 .   ? -35.661 -4.718  -42.164 1.00 23.90 ? 403 HOH B O   1 
HETATM 1696 O O   . HOH F 5 .   ? -28.855 7.807   -30.119 1.00 30.79 ? 404 HOH B O   1 
HETATM 1697 O O   . HOH F 5 .   ? -41.528 -8.516  -13.283 1.00 18.25 ? 405 HOH B O   1 
HETATM 1698 O O   . HOH F 5 .   ? -13.356 -6.238  -29.200 1.00 29.86 ? 406 HOH B O   1 
HETATM 1699 O O   . HOH F 5 .   ? -9.422  -15.960 -26.568 1.00 26.16 ? 407 HOH B O   1 
HETATM 1700 O O   . HOH F 5 .   ? -40.569 -7.490  -34.235 1.00 20.68 ? 408 HOH B O   1 
HETATM 1701 O O   . HOH F 5 .   ? -36.531 -0.294  -42.155 1.00 37.11 ? 409 HOH B O   1 
HETATM 1702 O O   . HOH F 5 .   ? -18.163 -16.078 -6.184  1.00 19.67 ? 410 HOH B O   1 
HETATM 1703 O O   . HOH F 5 .   ? -24.919 -15.041 -6.914  1.00 14.63 ? 411 HOH B O   1 
HETATM 1704 O O   . HOH F 5 .   ? -40.050 -11.495 -22.840 1.00 33.30 ? 412 HOH B O   1 
HETATM 1705 O O   . HOH F 5 .   ? -41.094 -5.788  -38.069 1.00 34.07 ? 413 HOH B O   1 
HETATM 1706 O O   . HOH F 5 .   ? -34.716 -8.980  -6.158  1.00 39.47 ? 414 HOH B O   1 
HETATM 1707 O O   . HOH F 5 .   ? -18.034 -11.231 -35.714 1.00 24.55 ? 415 HOH B O   1 
HETATM 1708 O O   . HOH F 5 .   ? -25.191 6.910   -29.047 1.00 28.55 ? 416 HOH B O   1 
HETATM 1709 O O   . HOH F 5 .   ? -42.476 -5.028  -43.748 1.00 20.77 ? 417 HOH B O   1 
HETATM 1710 O O   . HOH F 5 .   ? -40.823 6.362   -33.136 1.00 28.51 ? 418 HOH B O   1 
HETATM 1711 O O   . HOH F 5 .   ? -16.151 -14.742 -8.646  1.00 28.14 ? 419 HOH B O   1 
HETATM 1712 O O   . HOH F 5 .   ? -43.445 3.724   -18.843 1.00 20.19 ? 420 HOH B O   1 
HETATM 1713 O O   . HOH F 5 .   ? -31.068 3.999   -24.381 1.00 24.52 ? 421 HOH B O   1 
HETATM 1714 O O   . HOH F 5 .   ? -34.324 -7.217  -7.938  1.00 26.99 ? 422 HOH B O   1 
HETATM 1715 O O   . HOH F 5 .   ? -41.353 5.334   -28.437 1.00 24.78 ? 423 HOH B O   1 
HETATM 1716 O O   . HOH F 5 .   ? -41.173 -8.801  -19.406 1.00 13.85 ? 424 HOH B O   1 
HETATM 1717 O O   . HOH F 5 .   ? -24.465 -4.422  -36.987 1.00 33.88 ? 425 HOH B O   1 
HETATM 1718 O O   . HOH F 5 .   ? -19.965 2.291   -24.080 1.00 38.18 ? 426 HOH B O   1 
HETATM 1719 O O   . HOH F 5 .   ? -30.877 -17.469 -42.829 1.00 31.64 ? 427 HOH B O   1 
HETATM 1720 O O   . HOH F 5 .   ? -16.152 -7.440  -11.390 1.00 27.25 ? 428 HOH B O   1 
HETATM 1721 O O   . HOH F 5 .   ? -44.127 -8.737  -36.456 1.00 36.03 ? 429 HOH B O   1 
HETATM 1722 O O   . HOH F 5 .   ? -32.904 -23.601 -33.536 1.00 29.53 ? 430 HOH B O   1 
HETATM 1723 O O   . HOH F 5 .   ? -47.768 0.000   -32.866 0.50 22.67 ? 431 HOH B O   1 
HETATM 1724 O O   . HOH F 5 .   ? -36.723 -6.610  -8.981  1.00 26.82 ? 432 HOH B O   1 
HETATM 1725 O O   . HOH F 5 .   ? -38.731 -16.053 -40.900 1.00 48.09 ? 433 HOH B O   1 
HETATM 1726 O O   . HOH F 5 .   ? -8.407  -23.086 -30.245 1.00 28.06 ? 434 HOH B O   1 
HETATM 1727 O O   . HOH F 5 .   ? -21.770 6.882   -32.390 1.00 28.67 ? 435 HOH B O   1 
HETATM 1728 O O   . HOH F 5 .   ? -26.350 -28.257 -21.511 1.00 35.18 ? 436 HOH B O   1 
HETATM 1729 O O   . HOH F 5 .   ? -22.798 3.455   -20.693 1.00 35.23 ? 437 HOH B O   1 
HETATM 1730 O O   . HOH F 5 .   ? -15.954 -22.256 -14.618 1.00 25.57 ? 438 HOH B O   1 
HETATM 1731 O O   . HOH F 5 .   ? -36.787 2.122   -43.316 1.00 38.29 ? 439 HOH B O   1 
HETATM 1732 O O   . HOH F 5 .   ? -28.326 -27.737 -16.910 1.00 21.37 ? 440 HOH B O   1 
HETATM 1733 O O   . HOH F 5 .   ? -16.190 -26.854 -17.297 1.00 28.77 ? 441 HOH B O   1 
HETATM 1734 O O   . HOH F 5 .   ? -26.336 -31.142 -23.973 1.00 25.54 ? 442 HOH B O   1 
HETATM 1735 O O   . HOH F 5 .   ? -42.239 -12.960 -22.399 1.00 32.41 ? 443 HOH B O   1 
# 
