data_7HMJ
# 
_entry.id   7HMJ 
# 
_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   7HMJ         pdb_00007hmj 10.2210/pdb7hmj/pdb 
WWPDB D_1001407661 ?            ?                   
# 
_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                        7HMJ 
_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-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane' 198.289   1   ?        ? ? ? 
3 non-polymer syn 1,2-ETHANEDIOL                                     62.068    2   ?        ? ? ? 
4 non-polymer syn 'SULFATE ION'                                      96.063    1   ?        ? ? ? 
5 water       nat water                                              18.015    139 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;52 kDa Ro protein,52 kDa ribonucleoprotein autoantigen Ro/SS-A,Ro(SS-A),Sjoegren syndrome type A antigen,SS-A,Tripartite motif-containing protein 21
;
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_strand_id                 B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 '1-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane' K1P 
3 1,2-ETHANEDIOL                                     EDO 
4 'SULFATE ION'                                      SO4 
5 water                                              HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   HIS n 
1 3   HIS n 
1 4   HIS n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   MET n 
1 9   VAL n 
1 10  HIS n 
1 11  ILE n 
1 12  THR n 
1 13  LEU n 
1 14  ASP n 
1 15  ARG n 
1 16  ASN n 
1 17  THR n 
1 18  ALA n 
1 19  ASN n 
1 20  SER n 
1 21  TRP n 
1 22  LEU n 
1 23  ILE n 
1 24  ILE n 
1 25  SER n 
1 26  LYS n 
1 27  ASP n 
1 28  ARG n 
1 29  ARG n 
1 30  GLN n 
1 31  VAL n 
1 32  ARG n 
1 33  MET n 
1 34  GLY n 
1 35  ASP n 
1 36  THR n 
1 37  HIS n 
1 38  GLN n 
1 39  ASN n 
1 40  VAL n 
1 41  SER n 
1 42  ASP n 
1 43  ASN n 
1 44  LYS n 
1 45  GLU n 
1 46  ARG n 
1 47  PHE n 
1 48  SER n 
1 49  ASN n 
1 50  TYR n 
1 51  PRO n 
1 52  MET n 
1 53  VAL n 
1 54  LEU n 
1 55  GLY n 
1 56  ALA n 
1 57  GLN n 
1 58  ARG n 
1 59  PHE n 
1 60  SER n 
1 61  SER n 
1 62  GLY n 
1 63  LYS n 
1 64  MET n 
1 65  TYR n 
1 66  TRP n 
1 67  GLU n 
1 68  VAL n 
1 69  ASP n 
1 70  VAL n 
1 71  THR n 
1 72  GLN n 
1 73  LYS n 
1 74  GLU n 
1 75  ALA n 
1 76  TRP n 
1 77  ASP n 
1 78  LEU n 
1 79  GLY n 
1 80  VAL n 
1 81  CYS n 
1 82  ARG n 
1 83  ASP n 
1 84  SER n 
1 85  VAL n 
1 86  GLN n 
1 87  ARG n 
1 88  LYS n 
1 89  GLY n 
1 90  GLN n 
1 91  PHE n 
1 92  SER n 
1 93  LEU n 
1 94  SER n 
1 95  PRO n 
1 96  GLU n 
1 97  ASN n 
1 98  GLY n 
1 99  PHE n 
1 100 TRP n 
1 101 THR n 
1 102 ILE n 
1 103 TRP n 
1 104 LEU n 
1 105 TRP n 
1 106 GLN n 
1 107 ASP n 
1 108 SER n 
1 109 TYR n 
1 110 GLU n 
1 111 ALA n 
1 112 GLY n 
1 113 THR n 
1 114 SER n 
1 115 PRO n 
1 116 GLN n 
1 117 THR n 
1 118 THR n 
1 119 LEU n 
1 120 HIS n 
1 121 ILE n 
1 122 GLN n 
1 123 VAL n 
1 124 PRO n 
1 125 PRO n 
1 126 CYS n 
1 127 GLN n 
1 128 ILE n 
1 129 GLY n 
1 130 ILE n 
1 131 PHE n 
1 132 VAL n 
1 133 ASP n 
1 134 TYR n 
1 135 GLU n 
1 136 ALA n 
1 137 GLY n 
1 138 VAL n 
1 139 VAL n 
1 140 SER n 
1 141 PHE n 
1 142 TYR n 
1 143 ASN n 
1 144 ILE n 
1 145 THR n 
1 146 ASP n 
1 147 HIS n 
1 148 GLY n 
1 149 SER n 
1 150 LEU n 
1 151 ILE n 
1 152 TYR n 
1 153 THR n 
1 154 PHE n 
1 155 SER n 
1 156 GLU n 
1 157 CYS n 
1 158 VAL n 
1 159 PHE n 
1 160 ALA n 
1 161 GLY n 
1 162 PRO n 
1 163 LEU n 
1 164 ARG n 
1 165 PRO n 
1 166 PHE n 
1 167 PHE n 
1 168 ASN n 
1 169 VAL n 
1 170 GLY n 
1 171 PHE n 
1 172 ASN n 
1 173 TYR n 
1 174 SER n 
1 175 GLY n 
1 176 GLY n 
1 177 ASN n 
1 178 ALA n 
1 179 ALA n 
1 180 PRO n 
1 181 LEU n 
1 182 LYS n 
1 183 LEU n 
1 184 CYS n 
1 185 PRO n 
1 186 LEU n 
1 187 LYS n 
1 188 MET n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   188 
_entity_src_gen.gene_src_common_name               'house mouse' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'Trim21, Ro52, Ssa1' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Mus musculus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     10090 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
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 
K1P non-polymer         . '1-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane' ?                 'C8 H14 N4 S'    198.289 
LEU 'L-peptide linking' y LEUCINE                                            ?                 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE                                             ?                 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE                                         ?                 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE                                      ?                 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE                                            ?                 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE                                             ?                 'C3 H7 N O3'     105.093 
SO4 non-polymer         . 'SULFATE ION'                                      ?                 'O4 S -2'        96.063  
THR 'L-peptide linking' y THREONINE                                          ?                 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN                                         ?                 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE                                           ?                 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE                                             ?                 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   MET 1   7   ?   ?   ?   B . n 
A 1 2   HIS 2   8   8   HIS HIS B . n 
A 1 3   HIS 3   9   9   HIS HIS B . n 
A 1 4   HIS 4   10  10  HIS HIS B . n 
A 1 5   HIS 5   11  11  HIS HIS B . n 
A 1 6   HIS 6   12  12  HIS HIS B . n 
A 1 7   HIS 7   13  13  HIS HIS B . n 
A 1 8   MET 8   14  14  MET MET B . n 
A 1 9   VAL 9   15  15  VAL VAL B . n 
A 1 10  HIS 10  16  16  HIS HIS B . n 
A 1 11  ILE 11  17  17  ILE ILE B . n 
A 1 12  THR 12  18  18  THR THR B . n 
A 1 13  LEU 13  19  19  LEU LEU B . n 
A 1 14  ASP 14  20  20  ASP ASP B . n 
A 1 15  ARG 15  21  21  ARG ARG B . n 
A 1 16  ASN 16  22  22  ASN ASN B . n 
A 1 17  THR 17  23  23  THR THR B . n 
A 1 18  ALA 18  24  24  ALA ALA B . n 
A 1 19  ASN 19  25  25  ASN ASN B . n 
A 1 20  SER 20  26  26  SER SER B . n 
A 1 21  TRP 21  27  27  TRP TRP B . n 
A 1 22  LEU 22  28  28  LEU LEU B . n 
A 1 23  ILE 23  29  29  ILE ILE B . n 
A 1 24  ILE 24  30  30  ILE ILE B . n 
A 1 25  SER 25  31  31  SER SER B . n 
A 1 26  LYS 26  32  32  LYS LYS B . n 
A 1 27  ASP 27  33  33  ASP ASP B . n 
A 1 28  ARG 28  34  34  ARG ARG B . n 
A 1 29  ARG 29  35  35  ARG ARG B . n 
A 1 30  GLN 30  36  36  GLN GLN B . n 
A 1 31  VAL 31  37  37  VAL VAL B . n 
A 1 32  ARG 32  38  38  ARG ARG B . n 
A 1 33  MET 33  39  39  MET MET B . n 
A 1 34  GLY 34  40  40  GLY GLY B . n 
A 1 35  ASP 35  41  41  ASP ASP B . n 
A 1 36  THR 36  42  42  THR THR B . n 
A 1 37  HIS 37  43  43  HIS HIS B . n 
A 1 38  GLN 38  44  44  GLN GLN B . n 
A 1 39  ASN 39  45  45  ASN ASN B . n 
A 1 40  VAL 40  46  46  VAL VAL B . n 
A 1 41  SER 41  47  47  SER SER B . n 
A 1 42  ASP 42  48  48  ASP ASP B . n 
A 1 43  ASN 43  49  49  ASN ASN B . n 
A 1 44  LYS 44  50  50  LYS LYS B . n 
A 1 45  GLU 45  51  51  GLU GLU B . n 
A 1 46  ARG 46  52  52  ARG ARG B . n 
A 1 47  PHE 47  53  53  PHE PHE B . n 
A 1 48  SER 48  54  54  SER SER B . n 
A 1 49  ASN 49  55  55  ASN ASN B . n 
A 1 50  TYR 50  56  56  TYR TYR B . n 
A 1 51  PRO 51  57  57  PRO PRO B . n 
A 1 52  MET 52  58  58  MET MET B . n 
A 1 53  VAL 53  59  59  VAL VAL B . n 
A 1 54  LEU 54  60  60  LEU LEU B . n 
A 1 55  GLY 55  61  61  GLY GLY B . n 
A 1 56  ALA 56  62  62  ALA ALA B . n 
A 1 57  GLN 57  63  63  GLN GLN B . n 
A 1 58  ARG 58  64  64  ARG ARG B . n 
A 1 59  PHE 59  65  65  PHE PHE B . n 
A 1 60  SER 60  66  66  SER SER B . n 
A 1 61  SER 61  67  67  SER SER B . n 
A 1 62  GLY 62  68  68  GLY GLY B . n 
A 1 63  LYS 63  69  69  LYS LYS B . n 
A 1 64  MET 64  70  70  MET MET B . n 
A 1 65  TYR 65  71  71  TYR TYR B . n 
A 1 66  TRP 66  72  72  TRP TRP B . n 
A 1 67  GLU 67  73  73  GLU GLU B . n 
A 1 68  VAL 68  74  74  VAL VAL B . n 
A 1 69  ASP 69  75  75  ASP ASP B . n 
A 1 70  VAL 70  76  76  VAL VAL B . n 
A 1 71  THR 71  77  77  THR THR B . n 
A 1 72  GLN 72  78  78  GLN GLN B . n 
A 1 73  LYS 73  79  79  LYS LYS B . n 
A 1 74  GLU 74  80  80  GLU GLU B . n 
A 1 75  ALA 75  81  81  ALA ALA B . n 
A 1 76  TRP 76  82  82  TRP TRP B . n 
A 1 77  ASP 77  83  83  ASP ASP B . n 
A 1 78  LEU 78  84  84  LEU LEU B . n 
A 1 79  GLY 79  85  85  GLY GLY B . n 
A 1 80  VAL 80  86  86  VAL VAL B . n 
A 1 81  CYS 81  87  87  CYS CYS B . n 
A 1 82  ARG 82  88  88  ARG ARG B . n 
A 1 83  ASP 83  89  89  ASP ASP B . n 
A 1 84  SER 84  90  90  SER SER B . n 
A 1 85  VAL 85  91  91  VAL VAL B . n 
A 1 86  GLN 86  92  92  GLN GLN B . n 
A 1 87  ARG 87  93  93  ARG ARG B . n 
A 1 88  LYS 88  94  94  LYS LYS B . n 
A 1 89  GLY 89  95  95  GLY GLY B . n 
A 1 90  GLN 90  96  96  GLN GLN B . n 
A 1 91  PHE 91  97  97  PHE PHE B . n 
A 1 92  SER 92  98  98  SER SER B . n 
A 1 93  LEU 93  99  99  LEU LEU B . n 
A 1 94  SER 94  100 100 SER SER B . n 
A 1 95  PRO 95  101 101 PRO PRO B . n 
A 1 96  GLU 96  102 102 GLU GLU B . n 
A 1 97  ASN 97  103 103 ASN ASN B . n 
A 1 98  GLY 98  104 104 GLY GLY B . n 
A 1 99  PHE 99  105 105 PHE PHE B . n 
A 1 100 TRP 100 106 106 TRP TRP B . n 
A 1 101 THR 101 107 107 THR THR B . n 
A 1 102 ILE 102 108 108 ILE ILE B . n 
A 1 103 TRP 103 109 109 TRP TRP B . n 
A 1 104 LEU 104 110 110 LEU LEU B . n 
A 1 105 TRP 105 111 111 TRP TRP B . n 
A 1 106 GLN 106 112 112 GLN GLN B . n 
A 1 107 ASP 107 113 113 ASP ASP B . n 
A 1 108 SER 108 114 114 SER SER B . n 
A 1 109 TYR 109 115 115 TYR TYR B . n 
A 1 110 GLU 110 116 116 GLU GLU B . n 
A 1 111 ALA 111 117 117 ALA ALA B . n 
A 1 112 GLY 112 118 118 GLY GLY B . n 
A 1 113 THR 113 119 119 THR THR B . n 
A 1 114 SER 114 120 120 SER SER B . n 
A 1 115 PRO 115 121 121 PRO PRO B . n 
A 1 116 GLN 116 122 122 GLN GLN B . n 
A 1 117 THR 117 123 123 THR THR B . n 
A 1 118 THR 118 124 124 THR THR B . n 
A 1 119 LEU 119 125 125 LEU LEU B . n 
A 1 120 HIS 120 126 126 HIS HIS B . n 
A 1 121 ILE 121 127 127 ILE ILE B . n 
A 1 122 GLN 122 128 128 GLN GLN B . n 
A 1 123 VAL 123 129 129 VAL VAL B . n 
A 1 124 PRO 124 130 130 PRO PRO B . n 
A 1 125 PRO 125 131 131 PRO PRO B . n 
A 1 126 CYS 126 132 132 CYS CYS B . n 
A 1 127 GLN 127 133 133 GLN GLN B . n 
A 1 128 ILE 128 134 134 ILE ILE B . n 
A 1 129 GLY 129 135 135 GLY GLY B . n 
A 1 130 ILE 130 136 136 ILE ILE B . n 
A 1 131 PHE 131 137 137 PHE PHE B . n 
A 1 132 VAL 132 138 138 VAL VAL B . n 
A 1 133 ASP 133 139 139 ASP ASP B . n 
A 1 134 TYR 134 140 140 TYR TYR B . n 
A 1 135 GLU 135 141 141 GLU GLU B . n 
A 1 136 ALA 136 142 142 ALA ALA B . n 
A 1 137 GLY 137 143 143 GLY GLY B . n 
A 1 138 VAL 138 144 144 VAL VAL B . n 
A 1 139 VAL 139 145 145 VAL VAL B . n 
A 1 140 SER 140 146 146 SER SER B . n 
A 1 141 PHE 141 147 147 PHE PHE B . n 
A 1 142 TYR 142 148 148 TYR TYR B . n 
A 1 143 ASN 143 149 149 ASN ASN B . n 
A 1 144 ILE 144 150 150 ILE ILE B . n 
A 1 145 THR 145 151 151 THR THR B . n 
A 1 146 ASP 146 152 152 ASP ASP B . n 
A 1 147 HIS 147 153 153 HIS HIS B . n 
A 1 148 GLY 148 154 154 GLY GLY B . n 
A 1 149 SER 149 155 155 SER SER B . n 
A 1 150 LEU 150 156 156 LEU LEU B . n 
A 1 151 ILE 151 157 157 ILE ILE B . n 
A 1 152 TYR 152 158 158 TYR TYR B . n 
A 1 153 THR 153 159 159 THR THR B . n 
A 1 154 PHE 154 160 160 PHE PHE B . n 
A 1 155 SER 155 161 161 SER SER B . n 
A 1 156 GLU 156 162 162 GLU GLU B . n 
A 1 157 CYS 157 163 163 CYS CYS B . n 
A 1 158 VAL 158 164 164 VAL VAL B . n 
A 1 159 PHE 159 165 165 PHE PHE B . n 
A 1 160 ALA 160 166 166 ALA ALA B . n 
A 1 161 GLY 161 167 167 GLY GLY B . n 
A 1 162 PRO 162 168 168 PRO PRO B . n 
A 1 163 LEU 163 169 169 LEU LEU B . n 
A 1 164 ARG 164 170 170 ARG ARG B . n 
A 1 165 PRO 165 171 171 PRO PRO B . n 
A 1 166 PHE 166 172 172 PHE PHE B . n 
A 1 167 PHE 167 173 173 PHE PHE B . n 
A 1 168 ASN 168 174 174 ASN ASN B . n 
A 1 169 VAL 169 175 175 VAL VAL B . n 
A 1 170 GLY 170 176 176 GLY GLY B . n 
A 1 171 PHE 171 177 177 PHE PHE B . n 
A 1 172 ASN 172 178 178 ASN ASN B . n 
A 1 173 TYR 173 179 179 TYR TYR B . n 
A 1 174 SER 174 180 180 SER SER B . n 
A 1 175 GLY 175 181 181 GLY GLY B . n 
A 1 176 GLY 176 182 182 GLY GLY B . n 
A 1 177 ASN 177 183 183 ASN ASN B . n 
A 1 178 ALA 178 184 184 ALA ALA B . n 
A 1 179 ALA 179 185 185 ALA ALA B . n 
A 1 180 PRO 180 186 186 PRO PRO B . n 
A 1 181 LEU 181 187 187 LEU LEU B . n 
A 1 182 LYS 182 188 188 LYS LYS B . n 
A 1 183 LEU 183 189 189 LEU LEU B . n 
A 1 184 CYS 184 190 190 CYS CYS B . n 
A 1 185 PRO 185 191 191 PRO PRO B . n 
A 1 186 LEU 186 192 192 LEU LEU B . n 
A 1 187 LYS 187 193 ?   ?   ?   B . n 
A 1 188 MET 188 194 ?   ?   ?   B . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        K1P 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   K1P 
_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 K1P 1   201 302 K1P LIG B . 
C 3 EDO 1   202 303 EDO EDO B . 
D 3 EDO 1   203 305 EDO EDO B . 
E 4 SO4 1   204 1   SO4 SO4 B . 
F 5 HOH 1   301 85  HOH HOH B . 
F 5 HOH 2   302 34  HOH HOH B . 
F 5 HOH 3   303 2   HOH HOH B . 
F 5 HOH 4   304 29  HOH HOH B . 
F 5 HOH 5   305 264 HOH HOH B . 
F 5 HOH 6   306 107 HOH HOH B . 
F 5 HOH 7   307 11  HOH HOH B . 
F 5 HOH 8   308 129 HOH HOH B . 
F 5 HOH 9   309 99  HOH HOH B . 
F 5 HOH 10  310 112 HOH HOH B . 
F 5 HOH 11  311 22  HOH HOH B . 
F 5 HOH 12  312 1   HOH HOH B . 
F 5 HOH 13  313 26  HOH HOH B . 
F 5 HOH 14  314 66  HOH HOH B . 
F 5 HOH 15  315 16  HOH HOH B . 
F 5 HOH 16  316 32  HOH HOH B . 
F 5 HOH 17  317 281 HOH HOH B . 
F 5 HOH 18  318 90  HOH HOH B . 
F 5 HOH 19  319 214 HOH HOH B . 
F 5 HOH 20  320 100 HOH HOH B . 
F 5 HOH 21  321 63  HOH HOH B . 
F 5 HOH 22  322 40  HOH HOH B . 
F 5 HOH 23  323 27  HOH HOH B . 
F 5 HOH 24  324 4   HOH HOH B . 
F 5 HOH 25  325 34  HOH HOH B . 
F 5 HOH 26  326 10  HOH HOH B . 
F 5 HOH 27  327 21  HOH HOH B . 
F 5 HOH 28  328 19  HOH HOH B . 
F 5 HOH 29  329 89  HOH HOH B . 
F 5 HOH 30  330 36  HOH HOH B . 
F 5 HOH 31  331 76  HOH HOH B . 
F 5 HOH 32  332 51  HOH HOH B . 
F 5 HOH 33  333 9   HOH HOH B . 
F 5 HOH 34  334 27  HOH HOH B . 
F 5 HOH 35  335 267 HOH HOH B . 
F 5 HOH 36  336 102 HOH HOH B . 
F 5 HOH 37  337 70  HOH HOH B . 
F 5 HOH 38  338 39  HOH HOH B . 
F 5 HOH 39  339 7   HOH HOH B . 
F 5 HOH 40  340 18  HOH HOH B . 
F 5 HOH 41  341 25  HOH HOH B . 
F 5 HOH 42  342 43  HOH HOH B . 
F 5 HOH 43  343 11  HOH HOH B . 
F 5 HOH 44  344 22  HOH HOH B . 
F 5 HOH 45  345 184 HOH HOH B . 
F 5 HOH 46  346 58  HOH HOH B . 
F 5 HOH 47  347 20  HOH HOH B . 
F 5 HOH 48  348 72  HOH HOH B . 
F 5 HOH 49  349 2   HOH HOH B . 
F 5 HOH 50  350 59  HOH HOH B . 
F 5 HOH 51  351 73  HOH HOH B . 
F 5 HOH 52  352 29  HOH HOH B . 
F 5 HOH 53  353 16  HOH HOH B . 
F 5 HOH 54  354 68  HOH HOH B . 
F 5 HOH 55  355 81  HOH HOH B . 
F 5 HOH 56  356 33  HOH HOH B . 
F 5 HOH 57  357 211 HOH HOH B . 
F 5 HOH 58  358 26  HOH HOH B . 
F 5 HOH 59  359 50  HOH HOH B . 
F 5 HOH 60  360 31  HOH HOH B . 
F 5 HOH 61  361 15  HOH HOH B . 
F 5 HOH 62  362 71  HOH HOH B . 
F 5 HOH 63  363 61  HOH HOH B . 
F 5 HOH 64  364 62  HOH HOH B . 
F 5 HOH 65  365 115 HOH HOH B . 
F 5 HOH 66  366 6   HOH HOH B . 
F 5 HOH 67  367 60  HOH HOH B . 
F 5 HOH 68  368 55  HOH HOH B . 
F 5 HOH 69  369 30  HOH HOH B . 
F 5 HOH 70  370 126 HOH HOH B . 
F 5 HOH 71  371 64  HOH HOH B . 
F 5 HOH 72  372 8   HOH HOH B . 
F 5 HOH 73  373 28  HOH HOH B . 
F 5 HOH 74  374 47  HOH HOH B . 
F 5 HOH 75  375 49  HOH HOH B . 
F 5 HOH 76  376 304 HOH HOH B . 
F 5 HOH 77  377 32  HOH HOH B . 
F 5 HOH 78  378 1   HOH HOH B . 
F 5 HOH 79  379 10  HOH HOH B . 
F 5 HOH 80  380 4   HOH HOH B . 
F 5 HOH 81  381 93  HOH HOH B . 
F 5 HOH 82  382 42  HOH HOH B . 
F 5 HOH 83  383 86  HOH HOH B . 
F 5 HOH 84  384 97  HOH HOH B . 
F 5 HOH 85  385 172 HOH HOH B . 
F 5 HOH 86  386 157 HOH HOH B . 
F 5 HOH 87  387 14  HOH HOH B . 
F 5 HOH 88  388 303 HOH HOH B . 
F 5 HOH 89  389 3   HOH HOH B . 
F 5 HOH 90  390 3   HOH HOH B . 
F 5 HOH 91  391 12  HOH HOH B . 
F 5 HOH 92  392 24  HOH HOH B . 
F 5 HOH 93  393 8   HOH HOH B . 
F 5 HOH 94  394 48  HOH HOH B . 
F 5 HOH 95  395 57  HOH HOH B . 
F 5 HOH 96  396 156 HOH HOH B . 
F 5 HOH 97  397 137 HOH HOH B . 
F 5 HOH 98  398 23  HOH HOH B . 
F 5 HOH 99  399 38  HOH HOH B . 
F 5 HOH 100 400 45  HOH HOH B . 
F 5 HOH 101 401 56  HOH HOH B . 
F 5 HOH 102 402 7   HOH HOH B . 
F 5 HOH 103 403 114 HOH HOH B . 
F 5 HOH 104 404 120 HOH HOH B . 
F 5 HOH 105 405 53  HOH HOH B . 
F 5 HOH 106 406 140 HOH HOH B . 
F 5 HOH 107 407 41  HOH HOH B . 
F 5 HOH 108 408 257 HOH HOH B . 
F 5 HOH 109 409 69  HOH HOH B . 
F 5 HOH 110 410 197 HOH HOH B . 
F 5 HOH 111 411 15  HOH HOH B . 
F 5 HOH 112 412 25  HOH HOH B . 
F 5 HOH 113 413 54  HOH HOH B . 
F 5 HOH 114 414 133 HOH HOH B . 
F 5 HOH 115 415 125 HOH HOH B . 
F 5 HOH 116 416 263 HOH HOH B . 
F 5 HOH 117 417 154 HOH HOH B . 
F 5 HOH 118 418 44  HOH HOH B . 
F 5 HOH 119 419 103 HOH HOH B . 
F 5 HOH 120 420 5   HOH HOH B . 
F 5 HOH 121 421 19  HOH HOH B . 
F 5 HOH 122 422 20  HOH HOH B . 
F 5 HOH 123 423 266 HOH HOH B . 
F 5 HOH 124 424 13  HOH HOH B . 
F 5 HOH 125 425 18  HOH HOH B . 
F 5 HOH 126 426 31  HOH HOH B . 
F 5 HOH 127 427 30  HOH HOH B . 
F 5 HOH 128 428 21  HOH HOH B . 
F 5 HOH 129 429 13  HOH HOH B . 
F 5 HOH 130 430 104 HOH HOH B . 
F 5 HOH 131 431 23  HOH HOH B . 
F 5 HOH 132 432 82  HOH HOH B . 
F 5 HOH 133 433 205 HOH HOH B . 
F 5 HOH 134 434 98  HOH HOH B . 
F 5 HOH 135 435 127 HOH HOH B . 
F 5 HOH 136 436 131 HOH HOH B . 
F 5 HOH 137 437 14  HOH HOH B . 
F 5 HOH 138 438 270 HOH HOH B . 
F 5 HOH 139 439 259 HOH HOH B . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 B LEU 192 ? CG  ? A LEU 186 CG  
2 1 Y 1 B LEU 192 ? CD1 ? A LEU 186 CD1 
3 1 Y 1 B LEU 192 ? CD2 ? A LEU 186 CD2 
# 
loop_
_software.pdbx_ordinal 
_software.name 
_software.version 
_software.date 
_software.type 
_software.contact_author 
_software.contact_author_email 
_software.classification 
_software.location 
_software.language 
_software.citation_id 
1 REFMAC      5.8.0267 ?               program 'Garib N. Murshudov' garib@ysbl.york.ac.uk    refinement        
http://www.ccp4.ac.uk/dist/html/refmac5.html        Fortran_77 ? 
2 Aimless     0.7.7    23/04/21        program 'Phil Evans'         ?                        'data scaling'    
http://www.mrc-lmb.cam.ac.uk/harry/pre/aimless.html ?          ? 
3 PDB_EXTRACT 3.23     'SEP. 23, 2016' package PDB                  deposit@deposit.rcsb.org 'data extraction' 
http://sw-tools.pdb.org/apps/PDB_EXTRACT/           C++        ? 
4 XDS         .        ?               program ?                    ?                        'data reduction'  ? ?          ? 
5 REFMAC      .        ?               program ?                    ?                        phasing           ? ?          ? 
# 
_cell.entry_id           7HMJ 
_cell.length_a           95.832 
_cell.length_b           95.832 
_cell.length_c           45.876 
_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                         7HMJ 
_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          7HMJ 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.44 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   49.56 
_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   2024-07-10 
_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                     7HMJ 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             47.900 
_reflns.d_resolution_high            1.500 
_reflns.number_obs                   33483 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         100.000 
_reflns.pdbx_Rmerge_I_obs            0.165 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        10.300 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              13.300 
_reflns.pdbx_Rrim_I_all              0.172 
_reflns.pdbx_Rpim_I_all              0.047 
_reflns.pdbx_CC_half                 0.999 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     445491 
_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 1.500 1.530  ? 17006 1631 ? 3.587 ? ? ? 10.400 ? 0.400  ? ? ? ? ? ? 99.400 3.773 1.168 0.298 
1 2 8.210 47.900 ? 2535  227  ? 0.081 ? ? ? 11.200 ? 55.900 ? ? ? ? ? ? 99.600 0.085 0.026 0.990 
# 
_refine.entry_id                                 7HMJ 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.5000 
_refine.ls_d_res_low                             47.9600 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    99.9600 
_refine.ls_number_reflns_obs                     31851 
_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                          0.1870 
_refine.ls_R_factor_R_work                       0.1856 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.2137 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.9000 
_refine.ls_number_reflns_R_free                  1626 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               21.6620 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.1200 
_refine.aniso_B[2][2]                            0.1200 
_refine.aniso_B[3][3]                            -0.2500 
_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               0.9660 
_refine.correlation_coeff_Fo_to_Fc_free          0.9540 
_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                       0.0800 
_refine.pdbx_overall_ESU_R_Free                  0.0800 
_refine.overall_SU_ML                            0.0730 
_refine.overall_SU_B                             2.2010 
_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                                111.210 
_refine.B_iso_min                                11.370 
_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                       1.5000 
_refine_hist.d_res_low                        47.9600 
_refine_hist.pdbx_number_atoms_ligand         26 
_refine_hist.number_atoms_solvent             139 
_refine_hist.number_atoms_total               1658 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           43.29 
_refine_hist.pdbx_B_iso_mean_solvent          33.01 
_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       2002 0.010  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1623 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2508 1.601  1.660  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3748 1.370  1.604  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 235  7.278  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 107  26.768 21.215 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 285  12.932 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   22.812 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         217  0.082  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2222 0.009  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     486  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            951  1.827  1.979  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         938  1.817  1.953  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1129 2.944  2.930  ? ? 
# 
_refine_ls_shell.d_res_high                       1.5000 
_refine_ls_shell.d_res_low                        1.5390 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               99.8800 
_refine_ls_shell.number_reflns_R_work             2327 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3780 
_refine_ls_shell.R_factor_R_free                  0.4080 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             131 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                2458 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HMJ 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1578665941' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HMJ 
_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 3 ? 
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              7HMJ 
_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 7HMJ MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HMJ HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HMJ HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HMJ HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HMJ HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HMJ HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HMJ HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HMJ MET B 8 ? UNP Q62191 ? ? 'expression tag'        14 8 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 4  ? MET A 8  ? HIS B 10  MET B 14  5 ? 5 
HELX_P HELX_P2 AA2 ASP A 14 ? ALA A 18 ? ASP B 20  ALA B 24  5 ? 5 
HELX_P HELX_P3 AA3 SER A 94 ? ASN A 97 ? SER B 100 ASN B 103 5 ? 4 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           114 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            120 
_struct_mon_prot_cis.auth_asym_id           B 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    115 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     121 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    B 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -3.48 
# 
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 103 ? N TRP B 109 O GLU A 110 ? O GLU B 116 
AA2 5 6 N ALA A 111 ? N ALA B 117 O THR A 117 ? O THR B 123 
# 
_pdbx_entry_details.entry_id                   7HMJ 
_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_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   O1 
_pdbx_validate_close_contact.auth_asym_id_1   B 
_pdbx_validate_close_contact.auth_comp_id_1   EDO 
_pdbx_validate_close_contact.auth_seq_id_1    202 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   O 
_pdbx_validate_close_contact.auth_asym_id_2   B 
_pdbx_validate_close_contact.auth_comp_id_2   HOH 
_pdbx_validate_close_contact.auth_seq_id_2    301 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             2.14 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             NE 
_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             CZ 
_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             NH2 
_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                123.49 
_pdbx_validate_rmsd_angle.angle_target_value         120.30 
_pdbx_validate_rmsd_angle.angle_deviation            3.19 
_pdbx_validate_rmsd_angle.angle_standard_deviation   0.50 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    ASP 
_pdbx_validate_torsion.auth_asym_id    B 
_pdbx_validate_torsion.auth_seq_id     152 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -106.07 
_pdbx_validate_torsion.psi             52.18 
# 
_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     403 
_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 
K1P N1   N Y N 193 
K1P N3   N N N 194 
K1P C4   C N N 195 
K1P C5   C N N 196 
K1P C6   C N N 197 
K1P C7   C N N 198 
K1P N    N Y N 199 
K1P C    C N N 200 
K1P C1   C Y N 201 
K1P C2   C Y N 202 
K1P C3   C N N 203 
K1P N2   N N N 204 
K1P S    S Y N 205 
K1P H1   H N N 206 
K1P H3   H N N 207 
K1P H4   H N N 208 
K1P H5   H N N 209 
K1P H6   H N N 210 
K1P H7   H N N 211 
K1P H8   H N N 212 
K1P H9   H N N 213 
K1P H10  H N N 214 
K1P H11  H N N 215 
K1P H12  H N N 216 
K1P H13  H N N 217 
K1P H14  H N N 218 
K1P H15  H N N 219 
LEU N    N N N 220 
LEU CA   C N S 221 
LEU C    C N N 222 
LEU O    O N N 223 
LEU CB   C N N 224 
LEU CG   C N N 225 
LEU CD1  C N N 226 
LEU CD2  C N N 227 
LEU OXT  O N N 228 
LEU H    H N N 229 
LEU H2   H N N 230 
LEU HA   H N N 231 
LEU HB2  H N N 232 
LEU HB3  H N N 233 
LEU HG   H N N 234 
LEU HD11 H N N 235 
LEU HD12 H N N 236 
LEU HD13 H N N 237 
LEU HD21 H N N 238 
LEU HD22 H N N 239 
LEU HD23 H N N 240 
LEU HXT  H N N 241 
LYS N    N N N 242 
LYS CA   C N S 243 
LYS C    C N N 244 
LYS O    O N N 245 
LYS CB   C N N 246 
LYS CG   C N N 247 
LYS CD   C N N 248 
LYS CE   C N N 249 
LYS NZ   N N N 250 
LYS OXT  O N N 251 
LYS H    H N N 252 
LYS H2   H N N 253 
LYS HA   H N N 254 
LYS HB2  H N N 255 
LYS HB3  H N N 256 
LYS HG2  H N N 257 
LYS HG3  H N N 258 
LYS HD2  H N N 259 
LYS HD3  H N N 260 
LYS HE2  H N N 261 
LYS HE3  H N N 262 
LYS HZ1  H N N 263 
LYS HZ2  H N N 264 
LYS HZ3  H N N 265 
LYS HXT  H N N 266 
MET N    N N N 267 
MET CA   C N S 268 
MET C    C N N 269 
MET O    O N N 270 
MET CB   C N N 271 
MET CG   C N N 272 
MET SD   S N N 273 
MET CE   C N N 274 
MET OXT  O N N 275 
MET H    H N N 276 
MET H2   H N N 277 
MET HA   H N N 278 
MET HB2  H N N 279 
MET HB3  H N N 280 
MET HG2  H N N 281 
MET HG3  H N N 282 
MET HE1  H N N 283 
MET HE2  H N N 284 
MET HE3  H N N 285 
MET HXT  H N N 286 
PHE N    N N N 287 
PHE CA   C N S 288 
PHE C    C N N 289 
PHE O    O N N 290 
PHE CB   C N N 291 
PHE CG   C Y N 292 
PHE CD1  C Y N 293 
PHE CD2  C Y N 294 
PHE CE1  C Y N 295 
PHE CE2  C Y N 296 
PHE CZ   C Y N 297 
PHE OXT  O N N 298 
PHE H    H N N 299 
PHE H2   H N N 300 
PHE HA   H N N 301 
PHE HB2  H N N 302 
PHE HB3  H N N 303 
PHE HD1  H N N 304 
PHE HD2  H N N 305 
PHE HE1  H N N 306 
PHE HE2  H N N 307 
PHE HZ   H N N 308 
PHE HXT  H N N 309 
PRO N    N N N 310 
PRO CA   C N S 311 
PRO C    C N N 312 
PRO O    O N N 313 
PRO CB   C N N 314 
PRO CG   C N N 315 
PRO CD   C N N 316 
PRO OXT  O N N 317 
PRO H    H N N 318 
PRO HA   H N N 319 
PRO HB2  H N N 320 
PRO HB3  H N N 321 
PRO HG2  H N N 322 
PRO HG3  H N N 323 
PRO HD2  H N N 324 
PRO HD3  H N N 325 
PRO HXT  H N N 326 
SER N    N N N 327 
SER CA   C N S 328 
SER C    C N N 329 
SER O    O N N 330 
SER CB   C N N 331 
SER OG   O N N 332 
SER OXT  O N N 333 
SER H    H N N 334 
SER H2   H N N 335 
SER HA   H N N 336 
SER HB2  H N N 337 
SER HB3  H N N 338 
SER HG   H N N 339 
SER HXT  H N N 340 
SO4 S    S N N 341 
SO4 O1   O N N 342 
SO4 O2   O N N 343 
SO4 O3   O N N 344 
SO4 O4   O N N 345 
THR N    N N N 346 
THR CA   C N S 347 
THR C    C N N 348 
THR O    O N N 349 
THR CB   C N R 350 
THR OG1  O N N 351 
THR CG2  C N N 352 
THR OXT  O N N 353 
THR H    H N N 354 
THR H2   H N N 355 
THR HA   H N N 356 
THR HB   H N N 357 
THR HG1  H N N 358 
THR HG21 H N N 359 
THR HG22 H N N 360 
THR HG23 H N N 361 
THR HXT  H N N 362 
TRP N    N N N 363 
TRP CA   C N S 364 
TRP C    C N N 365 
TRP O    O N N 366 
TRP CB   C N N 367 
TRP CG   C Y N 368 
TRP CD1  C Y N 369 
TRP CD2  C Y N 370 
TRP NE1  N Y N 371 
TRP CE2  C Y N 372 
TRP CE3  C Y N 373 
TRP CZ2  C Y N 374 
TRP CZ3  C Y N 375 
TRP CH2  C Y N 376 
TRP OXT  O N N 377 
TRP H    H N N 378 
TRP H2   H N N 379 
TRP HA   H N N 380 
TRP HB2  H N N 381 
TRP HB3  H N N 382 
TRP HD1  H N N 383 
TRP HE1  H N N 384 
TRP HE3  H N N 385 
TRP HZ2  H N N 386 
TRP HZ3  H N N 387 
TRP HH2  H N N 388 
TRP HXT  H N N 389 
TYR N    N N N 390 
TYR CA   C N S 391 
TYR C    C N N 392 
TYR O    O N N 393 
TYR CB   C N N 394 
TYR CG   C Y N 395 
TYR CD1  C Y N 396 
TYR CD2  C Y N 397 
TYR CE1  C Y N 398 
TYR CE2  C Y N 399 
TYR CZ   C Y N 400 
TYR OH   O N N 401 
TYR OXT  O N N 402 
TYR H    H N N 403 
TYR H2   H N N 404 
TYR HA   H N N 405 
TYR HB2  H N N 406 
TYR HB3  H N N 407 
TYR HD1  H N N 408 
TYR HD2  H N N 409 
TYR HE1  H N N 410 
TYR HE2  H N N 411 
TYR HH   H N N 412 
TYR HXT  H N N 413 
VAL N    N N N 414 
VAL CA   C N S 415 
VAL C    C N N 416 
VAL O    O N N 417 
VAL CB   C N N 418 
VAL CG1  C N N 419 
VAL CG2  C N N 420 
VAL OXT  O N N 421 
VAL H    H N N 422 
VAL H2   H N N 423 
VAL HA   H N N 424 
VAL HB   H N N 425 
VAL HG11 H N N 426 
VAL HG12 H N N 427 
VAL HG13 H N N 428 
VAL HG21 H N N 429 
VAL HG22 H N N 430 
VAL HG23 H N N 431 
VAL HXT  H N N 432 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
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 
K1P C6  N3   sing N N 182 
K1P C6  C7   sing N N 183 
K1P N3  C5   sing N N 184 
K1P C5  C4   sing N N 185 
K1P C7  N2   sing N N 186 
K1P C4  C3   sing N N 187 
K1P C3  N2   sing N N 188 
K1P N2  C2   sing N N 189 
K1P N1  C2   doub Y N 190 
K1P N1  C1   sing Y N 191 
K1P C2  S    sing Y N 192 
K1P C1  C    sing N N 193 
K1P C1  N    doub Y N 194 
K1P S   N    sing Y N 195 
K1P N3  H1   sing N N 196 
K1P C4  H3   sing N N 197 
K1P C4  H4   sing N N 198 
K1P C5  H5   sing N N 199 
K1P C5  H6   sing N N 200 
K1P C6  H7   sing N N 201 
K1P C6  H8   sing N N 202 
K1P C7  H9   sing N N 203 
K1P C7  H10  sing N N 204 
K1P C   H11  sing N N 205 
K1P C   H12  sing N N 206 
K1P C   H13  sing N N 207 
K1P C3  H14  sing N N 208 
K1P C3  H15  sing N N 209 
LEU N   CA   sing N N 210 
LEU N   H    sing N N 211 
LEU N   H2   sing N N 212 
LEU CA  C    sing N N 213 
LEU CA  CB   sing N N 214 
LEU CA  HA   sing N N 215 
LEU C   O    doub N N 216 
LEU C   OXT  sing N N 217 
LEU CB  CG   sing N N 218 
LEU CB  HB2  sing N N 219 
LEU CB  HB3  sing N N 220 
LEU CG  CD1  sing N N 221 
LEU CG  CD2  sing N N 222 
LEU CG  HG   sing N N 223 
LEU CD1 HD11 sing N N 224 
LEU CD1 HD12 sing N N 225 
LEU CD1 HD13 sing N N 226 
LEU CD2 HD21 sing N N 227 
LEU CD2 HD22 sing N N 228 
LEU CD2 HD23 sing N N 229 
LEU OXT HXT  sing N N 230 
LYS N   CA   sing N N 231 
LYS N   H    sing N N 232 
LYS N   H2   sing N N 233 
LYS CA  C    sing N N 234 
LYS CA  CB   sing N N 235 
LYS CA  HA   sing N N 236 
LYS C   O    doub N N 237 
LYS C   OXT  sing N N 238 
LYS CB  CG   sing N N 239 
LYS CB  HB2  sing N N 240 
LYS CB  HB3  sing N N 241 
LYS CG  CD   sing N N 242 
LYS CG  HG2  sing N N 243 
LYS CG  HG3  sing N N 244 
LYS CD  CE   sing N N 245 
LYS CD  HD2  sing N N 246 
LYS CD  HD3  sing N N 247 
LYS CE  NZ   sing N N 248 
LYS CE  HE2  sing N N 249 
LYS CE  HE3  sing N N 250 
LYS NZ  HZ1  sing N N 251 
LYS NZ  HZ2  sing N N 252 
LYS NZ  HZ3  sing N N 253 
LYS OXT HXT  sing N N 254 
MET N   CA   sing N N 255 
MET N   H    sing N N 256 
MET N   H2   sing N N 257 
MET CA  C    sing N N 258 
MET CA  CB   sing N N 259 
MET CA  HA   sing N N 260 
MET C   O    doub N N 261 
MET C   OXT  sing N N 262 
MET CB  CG   sing N N 263 
MET CB  HB2  sing N N 264 
MET CB  HB3  sing N N 265 
MET CG  SD   sing N N 266 
MET CG  HG2  sing N N 267 
MET CG  HG3  sing N N 268 
MET SD  CE   sing N N 269 
MET CE  HE1  sing N N 270 
MET CE  HE2  sing N N 271 
MET CE  HE3  sing N N 272 
MET OXT HXT  sing N N 273 
PHE N   CA   sing N N 274 
PHE N   H    sing N N 275 
PHE N   H2   sing N N 276 
PHE CA  C    sing N N 277 
PHE CA  CB   sing N N 278 
PHE CA  HA   sing N N 279 
PHE C   O    doub N N 280 
PHE C   OXT  sing N N 281 
PHE CB  CG   sing N N 282 
PHE CB  HB2  sing N N 283 
PHE CB  HB3  sing N N 284 
PHE CG  CD1  doub Y N 285 
PHE CG  CD2  sing Y N 286 
PHE CD1 CE1  sing Y N 287 
PHE CD1 HD1  sing N N 288 
PHE CD2 CE2  doub Y N 289 
PHE CD2 HD2  sing N N 290 
PHE CE1 CZ   doub Y N 291 
PHE CE1 HE1  sing N N 292 
PHE CE2 CZ   sing Y N 293 
PHE CE2 HE2  sing N N 294 
PHE CZ  HZ   sing N N 295 
PHE OXT HXT  sing N N 296 
PRO N   CA   sing N N 297 
PRO N   CD   sing N N 298 
PRO N   H    sing N N 299 
PRO CA  C    sing N N 300 
PRO CA  CB   sing N N 301 
PRO CA  HA   sing N N 302 
PRO C   O    doub N N 303 
PRO C   OXT  sing N N 304 
PRO CB  CG   sing N N 305 
PRO CB  HB2  sing N N 306 
PRO CB  HB3  sing N N 307 
PRO CG  CD   sing N N 308 
PRO CG  HG2  sing N N 309 
PRO CG  HG3  sing N N 310 
PRO CD  HD2  sing N N 311 
PRO CD  HD3  sing N N 312 
PRO OXT HXT  sing N N 313 
SER N   CA   sing N N 314 
SER N   H    sing N N 315 
SER N   H2   sing N N 316 
SER CA  C    sing N N 317 
SER CA  CB   sing N N 318 
SER CA  HA   sing N N 319 
SER C   O    doub N N 320 
SER C   OXT  sing N N 321 
SER CB  OG   sing N N 322 
SER CB  HB2  sing N N 323 
SER CB  HB3  sing N N 324 
SER OG  HG   sing N N 325 
SER OXT HXT  sing N N 326 
SO4 S   O1   doub N N 327 
SO4 S   O2   doub N N 328 
SO4 S   O3   sing N N 329 
SO4 S   O4   sing N N 330 
THR N   CA   sing N N 331 
THR N   H    sing N N 332 
THR N   H2   sing N N 333 
THR CA  C    sing N N 334 
THR CA  CB   sing N N 335 
THR CA  HA   sing N N 336 
THR C   O    doub N N 337 
THR C   OXT  sing N N 338 
THR CB  OG1  sing N N 339 
THR CB  CG2  sing N N 340 
THR CB  HB   sing N N 341 
THR OG1 HG1  sing N N 342 
THR CG2 HG21 sing N N 343 
THR CG2 HG22 sing N N 344 
THR CG2 HG23 sing N N 345 
THR OXT HXT  sing N N 346 
TRP N   CA   sing N N 347 
TRP N   H    sing N N 348 
TRP N   H2   sing N N 349 
TRP CA  C    sing N N 350 
TRP CA  CB   sing N N 351 
TRP CA  HA   sing N N 352 
TRP C   O    doub N N 353 
TRP C   OXT  sing N N 354 
TRP CB  CG   sing N N 355 
TRP CB  HB2  sing N N 356 
TRP CB  HB3  sing N N 357 
TRP CG  CD1  doub Y N 358 
TRP CG  CD2  sing Y N 359 
TRP CD1 NE1  sing Y N 360 
TRP CD1 HD1  sing N N 361 
TRP CD2 CE2  doub Y N 362 
TRP CD2 CE3  sing Y N 363 
TRP NE1 CE2  sing Y N 364 
TRP NE1 HE1  sing N N 365 
TRP CE2 CZ2  sing Y N 366 
TRP CE3 CZ3  doub Y N 367 
TRP CE3 HE3  sing N N 368 
TRP CZ2 CH2  doub Y N 369 
TRP CZ2 HZ2  sing N N 370 
TRP CZ3 CH2  sing Y N 371 
TRP CZ3 HZ3  sing N N 372 
TRP CH2 HH2  sing N N 373 
TRP OXT HXT  sing N N 374 
TYR N   CA   sing N N 375 
TYR N   H    sing N N 376 
TYR N   H2   sing N N 377 
TYR CA  C    sing N N 378 
TYR CA  CB   sing N N 379 
TYR CA  HA   sing N N 380 
TYR C   O    doub N N 381 
TYR C   OXT  sing N N 382 
TYR CB  CG   sing N N 383 
TYR CB  HB2  sing N N 384 
TYR CB  HB3  sing N N 385 
TYR CG  CD1  doub Y N 386 
TYR CG  CD2  sing Y N 387 
TYR CD1 CE1  sing Y N 388 
TYR CD1 HD1  sing N N 389 
TYR CD2 CE2  doub Y N 390 
TYR CD2 HD2  sing N N 391 
TYR CE1 CZ   doub Y N 392 
TYR CE1 HE1  sing N N 393 
TYR CE2 CZ   sing Y N 394 
TYR CE2 HE2  sing N N 395 
TYR CZ  OH   sing N N 396 
TYR OH  HH   sing N N 397 
TYR OXT HXT  sing N N 398 
VAL N   CA   sing N N 399 
VAL N   H    sing N N 400 
VAL N   H2   sing N N 401 
VAL CA  C    sing N N 402 
VAL CA  CB   sing N N 403 
VAL CA  HA   sing N N 404 
VAL C   O    doub N N 405 
VAL C   OXT  sing N N 406 
VAL CB  CG1  sing N N 407 
VAL CB  CG2  sing N N 408 
VAL CB  HB   sing N N 409 
VAL CG1 HG11 sing N N 410 
VAL CG1 HG12 sing N N 411 
VAL CG1 HG13 sing N N 412 
VAL CG2 HG21 sing N N 413 
VAL CG2 HG22 sing N N 414 
VAL CG2 HG23 sing N N 415 
VAL OXT HXT  sing N N 416 
# 
_pdbx_audit_support.ordinal                1 
_pdbx_audit_support.funding_organization   'European Union (EU)' 
_pdbx_audit_support.grant_number           875510 
_pdbx_audit_support.country                'European Union' 
# 
_pdbx_deposit_group.group_id            G_1002320 
_pdbx_deposit_group.group_description   
;PRYSPRY domain of murine TRIM21 screened against the DSI-poised Fragment Library by X-ray Crystallography at the XChem facility of Diamon Light Source
;
_pdbx_deposit_group.group_title         'PanDDA analysis group deposition' 
_pdbx_deposit_group.group_type          'changed state' 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   2VOK 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    7HMJ 
_atom_sites.fract_transf_matrix[1][1]   0.010435 
_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]   0.010435 
_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]   0.021798 
_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   ? -12.898 -13.798 -10.293 1.00 108.99 ? 8   HIS B N   1 
ATOM   2    C CA  . HIS A 1 2   ? -12.669 -14.010 -11.750 1.00 101.10 ? 8   HIS B CA  1 
ATOM   3    C C   . HIS A 1 2   ? -11.674 -12.961 -12.268 1.00 105.89 ? 8   HIS B C   1 
ATOM   4    O O   . HIS A 1 2   ? -11.804 -11.775 -11.889 1.00 111.21 ? 8   HIS B O   1 
ATOM   5    C CB  . HIS A 1 2   ? -14.012 -14.004 -12.501 1.00 95.63  ? 8   HIS B CB  1 
ATOM   6    C CG  . HIS A 1 2   ? -14.503 -12.653 -12.916 1.00 91.46  ? 8   HIS B CG  1 
ATOM   7    N ND1 . HIS A 1 2   ? -14.356 -12.178 -14.208 1.00 88.02  ? 8   HIS B ND1 1 
ATOM   8    C CD2 . HIS A 1 2   ? -15.148 -11.684 -12.230 1.00 88.51  ? 8   HIS B CD2 1 
ATOM   9    C CE1 . HIS A 1 2   ? -14.875 -10.970 -14.293 1.00 88.02  ? 8   HIS B CE1 1 
ATOM   10   N NE2 . HIS A 1 2   ? -15.369 -10.642 -13.094 1.00 88.05  ? 8   HIS B NE2 1 
ATOM   11   N N   . HIS A 1 3   ? -10.712 -13.391 -13.091 1.00 105.79 ? 9   HIS B N   1 
ATOM   12   C CA  . HIS A 1 3   ? -9.716  -12.524 -13.779 1.00 100.73 ? 9   HIS B CA  1 
ATOM   13   C C   . HIS A 1 3   ? -10.008 -12.522 -15.290 1.00 91.66  ? 9   HIS B C   1 
ATOM   14   O O   . HIS A 1 3   ? -9.038  -12.593 -16.068 1.00 91.86  ? 9   HIS B O   1 
ATOM   15   C CB  . HIS A 1 3   ? -8.288  -12.982 -13.426 1.00 101.02 ? 9   HIS B CB  1 
ATOM   16   C CG  . HIS A 1 3   ? -7.976  -12.951 -11.962 1.00 107.95 ? 9   HIS B CG  1 
ATOM   17   N ND1 . HIS A 1 3   ? -8.016  -11.782 -11.214 1.00 108.30 ? 9   HIS B ND1 1 
ATOM   18   C CD2 . HIS A 1 3   ? -7.599  -13.927 -11.107 1.00 107.38 ? 9   HIS B CD2 1 
ATOM   19   C CE1 . HIS A 1 3   ? -7.689  -12.044 -9.964  1.00 103.30 ? 9   HIS B CE1 1 
ATOM   20   N NE2 . HIS A 1 3   ? -7.425  -13.353 -9.873  1.00 107.32 ? 9   HIS B NE2 1 
ATOM   21   N N   . HIS A 1 4   ? -11.294 -12.417 -15.676 1.00 80.55  ? 10  HIS B N   1 
ATOM   22   C CA  . HIS A 1 4   ? -11.821 -12.608 -17.063 1.00 68.60  ? 10  HIS B CA  1 
ATOM   23   C C   . HIS A 1 4   ? -11.813 -11.294 -17.855 1.00 65.02  ? 10  HIS B C   1 
ATOM   24   O O   . HIS A 1 4   ? -11.962 -11.364 -19.100 1.00 52.79  ? 10  HIS B O   1 
ATOM   25   C CB  . HIS A 1 4   ? -13.245 -13.195 -17.045 1.00 60.12  ? 10  HIS B CB  1 
ATOM   26   C CG  . HIS A 1 4   ? -13.339 -14.556 -16.439 1.00 58.19  ? 10  HIS B CG  1 
ATOM   27   N ND1 . HIS A 1 4   ? -12.385 -15.546 -16.661 1.00 54.59  ? 10  HIS B ND1 1 
ATOM   28   C CD2 . HIS A 1 4   ? -14.276 -15.111 -15.647 1.00 52.08  ? 10  HIS B CD2 1 
ATOM   29   C CE1 . HIS A 1 4   ? -12.729 -16.641 -16.013 1.00 57.96  ? 10  HIS B CE1 1 
ATOM   30   N NE2 . HIS A 1 4   ? -13.890 -16.403 -15.391 1.00 56.60  ? 10  HIS B NE2 1 
ATOM   31   N N   . HIS A 1 5   ? -11.641 -10.155 -17.167 1.00 66.03  ? 11  HIS B N   1 
ATOM   32   C CA  . HIS A 1 5   ? -11.713 -8.773  -17.725 1.00 69.87  ? 11  HIS B CA  1 
ATOM   33   C C   . HIS A 1 5   ? -10.813 -8.617  -18.965 1.00 67.76  ? 11  HIS B C   1 
ATOM   34   O O   . HIS A 1 5   ? -11.218 -7.864  -19.882 1.00 66.03  ? 11  HIS B O   1 
ATOM   35   C CB  . HIS A 1 5   ? -11.374 -7.738  -16.641 1.00 73.25  ? 11  HIS B CB  1 
ATOM   36   C CG  . HIS A 1 5   ? -12.260 -7.827  -15.447 1.00 81.70  ? 11  HIS B CG  1 
ATOM   37   N ND1 . HIS A 1 5   ? -11.965 -8.645  -14.371 1.00 94.82  ? 11  HIS B ND1 1 
ATOM   38   C CD2 . HIS A 1 5   ? -13.441 -7.236  -15.166 1.00 87.11  ? 11  HIS B CD2 1 
ATOM   39   C CE1 . HIS A 1 5   ? -12.921 -8.544  -13.469 1.00 95.12  ? 11  HIS B CE1 1 
ATOM   40   N NE2 . HIS A 1 5   ? -13.841 -7.688  -13.935 1.00 91.97  ? 11  HIS B NE2 1 
ATOM   41   N N   . HIS A 1 6   ? -9.660  -9.306  -19.008 1.00 61.60  ? 12  HIS B N   1 
ATOM   42   C CA  . HIS A 1 6   ? -8.635  -9.210  -20.090 1.00 59.27  ? 12  HIS B CA  1 
ATOM   43   C C   . HIS A 1 6   ? -9.038  -10.003 -21.347 1.00 51.98  ? 12  HIS B C   1 
ATOM   44   O O   . HIS A 1 6   ? -8.247  -9.984  -22.314 1.00 55.76  ? 12  HIS B O   1 
ATOM   45   C CB  . HIS A 1 6   ? -7.253  -9.637  -19.568 1.00 65.57  ? 12  HIS B CB  1 
ATOM   46   C CG  . HIS A 1 6   ? -7.033  -11.112 -19.513 1.00 69.14  ? 12  HIS B CG  1 
ATOM   47   N ND1 . HIS A 1 6   ? -6.436  -11.810 -20.546 1.00 74.59  ? 12  HIS B ND1 1 
ATOM   48   C CD2 . HIS A 1 6   ? -7.309  -12.020 -18.554 1.00 71.52  ? 12  HIS B CD2 1 
ATOM   49   C CE1 . HIS A 1 6   ? -6.362  -13.087 -20.227 1.00 72.44  ? 12  HIS B CE1 1 
ATOM   50   N NE2 . HIS A 1 6   ? -6.891  -13.242 -19.012 1.00 71.22  ? 12  HIS B NE2 1 
ATOM   51   N N   . HIS A 1 7   ? -10.196 -10.684 -21.346 1.00 40.15  ? 13  HIS B N   1 
ATOM   52   C CA  . HIS A 1 7   ? -10.844 -11.235 -22.574 1.00 34.94  ? 13  HIS B CA  1 
ATOM   53   C C   . HIS A 1 7   ? -11.999 -10.334 -22.995 1.00 31.03  ? 13  HIS B C   1 
ATOM   54   O O   . HIS A 1 7   ? -12.887 -10.820 -23.726 1.00 26.28  ? 13  HIS B O   1 
ATOM   55   C CB  . HIS A 1 7   ? -11.337 -12.666 -22.348 1.00 34.03  ? 13  HIS B CB  1 
ATOM   56   C CG  . HIS A 1 7   ? -10.241 -13.595 -21.951 1.00 35.55  ? 13  HIS B CG  1 
ATOM   57   N ND1 . HIS A 1 7   ? -9.217  -13.934 -22.831 1.00 34.31  ? 13  HIS B ND1 1 
ATOM   58   C CD2 . HIS A 1 7   ? -9.989  -14.228 -20.783 1.00 39.02  ? 13  HIS B CD2 1 
ATOM   59   C CE1 . HIS A 1 7   ? -8.380  -14.755 -22.222 1.00 36.52  ? 13  HIS B CE1 1 
ATOM   60   N NE2 . HIS A 1 7   ? -8.815  -14.939 -20.957 1.00 38.67  ? 13  HIS B NE2 1 
ATOM   61   N N   . MET A 1 8   ? -11.999 -9.082  -22.529 1.00 33.80  ? 14  MET B N   1 
ATOM   62   C CA  . MET A 1 8   ? -13.065 -8.084  -22.826 1.00 37.15  ? 14  MET B CA  1 
ATOM   63   C C   . MET A 1 8   ? -13.211 -7.906  -24.354 1.00 34.36  ? 14  MET B C   1 
ATOM   64   O O   . MET A 1 8   ? -12.201 -7.826  -25.076 1.00 34.53  ? 14  MET B O   1 
ATOM   65   C CB  . MET A 1 8   ? -12.748 -6.757  -22.117 1.00 45.34  ? 14  MET B CB  1 
ATOM   66   C CG  . MET A 1 8   ? -13.751 -5.601  -22.356 1.00 52.65  ? 14  MET B CG  1 
ATOM   67   S SD  . MET A 1 8   ? -15.432 -5.759  -21.609 1.00 64.18  ? 14  MET B SD  1 
ATOM   68   C CE  . MET A 1 8   ? -15.187 -5.080  -19.967 1.00 55.30  ? 14  MET B CE  1 
ATOM   69   N N   . VAL A 1 9   ? -14.449 -7.881  -24.854 1.00 26.62  ? 15  VAL B N   1 
ATOM   70   C CA  . VAL A 1 9   ? -14.752 -7.669  -26.297 1.00 27.15  ? 15  VAL B CA  1 
ATOM   71   C C   . VAL A 1 9   ? -15.748 -6.497  -26.406 1.00 28.74  ? 15  VAL B C   1 
ATOM   72   O O   . VAL A 1 9   ? -16.566 -6.293  -25.468 1.00 27.87  ? 15  VAL B O   1 
ATOM   73   C CB  . VAL A 1 9   ? -15.254 -8.958  -26.972 1.00 30.12  ? 15  VAL B CB  1 
ATOM   74   C CG1 . VAL A 1 9   ? -14.131 -9.983  -27.043 1.00 33.73  ? 15  VAL B CG1 1 
ATOM   75   C CG2 . VAL A 1 9   ? -16.469 -9.559  -26.282 1.00 30.22  ? 15  VAL B CG2 1 
ATOM   76   N N   . HIS A 1 10  ? -15.659 -5.728  -27.490 1.00 27.41  ? 16  HIS B N   1 
ATOM   77   C CA  . HIS A 1 10  ? -16.541 -4.562  -27.731 1.00 27.28  ? 16  HIS B CA  1 
ATOM   78   C C   . HIS A 1 10  ? -17.797 -5.075  -28.448 1.00 25.50  ? 16  HIS B C   1 
ATOM   79   O O   . HIS A 1 10  ? -17.710 -5.451  -29.620 1.00 29.08  ? 16  HIS B O   1 
ATOM   80   C CB  . HIS A 1 10  ? -15.796 -3.477  -28.502 1.00 29.08  ? 16  HIS B CB  1 
ATOM   81   C CG  . HIS A 1 10  ? -16.582 -2.216  -28.678 1.00 34.56  ? 16  HIS B CG  1 
ATOM   82   N ND1 . HIS A 1 10  ? -16.693 -1.258  -27.674 1.00 37.89  ? 16  HIS B ND1 1 
ATOM   83   C CD2 . HIS A 1 10  ? -17.289 -1.745  -29.737 1.00 37.55  ? 16  HIS B CD2 1 
ATOM   84   C CE1 . HIS A 1 10  ? -17.436 -0.247  -28.109 1.00 39.38  ? 16  HIS B CE1 1 
ATOM   85   N NE2 . HIS A 1 10  ? -17.823 -0.524  -29.379 1.00 39.28  ? 16  HIS B NE2 1 
ATOM   86   N N   . ILE A 1 11  ? -18.906 -5.192  -27.724 1.00 20.04  ? 17  ILE B N   1 
ATOM   87   C CA  . ILE A 1 11  ? -20.182 -5.713  -28.278 1.00 21.03  ? 17  ILE B CA  1 
ATOM   88   C C   . ILE A 1 11  ? -21.010 -4.518  -28.782 1.00 20.24  ? 17  ILE B C   1 
ATOM   89   O O   . ILE A 1 11  ? -20.966 -3.474  -28.166 1.00 18.60  ? 17  ILE B O   1 
ATOM   90   C CB  . ILE A 1 11  ? -20.940 -6.541  -27.230 1.00 20.07  ? 17  ILE B CB  1 
ATOM   91   C CG1 . ILE A 1 11  ? -20.093 -7.724  -26.741 1.00 22.01  ? 17  ILE B CG1 1 
ATOM   92   C CG2 . ILE A 1 11  ? -22.304 -6.960  -27.785 1.00 20.15  ? 17  ILE B CG2 1 
ATOM   93   C CD1 . ILE A 1 11  ? -19.572 -8.648  -27.833 1.00 23.00  ? 17  ILE B CD1 1 
ATOM   94   N N   . THR A 1 12  ? -21.625 -4.686  -29.938 1.00 19.34  ? 18  THR B N   1 
ATOM   95   C CA  . THR A 1 12  ? -22.632 -3.744  -30.487 1.00 20.04  ? 18  THR B CA  1 
ATOM   96   C C   . THR A 1 12  ? -23.890 -4.528  -30.870 1.00 20.39  ? 18  THR B C   1 
ATOM   97   O O   . THR A 1 12  ? -23.826 -5.736  -31.165 1.00 19.99  ? 18  THR B O   1 
ATOM   98   C CB  . THR A 1 12  ? -22.025 -2.948  -31.655 1.00 21.82  ? 18  THR B CB  1 
ATOM   99   O OG1 . THR A 1 12  ? -21.636 -3.871  -32.666 1.00 21.57  ? 18  THR B OG1 1 
ATOM   100  C CG2 . THR A 1 12  ? -20.862 -2.066  -31.237 1.00 26.41  ? 18  THR B CG2 1 
ATOM   101  N N   . LEU A 1 13  ? -25.025 -3.846  -30.883 1.00 16.87  ? 19  LEU B N   1 
ATOM   102  C CA  . LEU A 1 13  ? -26.332 -4.472  -31.152 1.00 18.68  ? 19  LEU B CA  1 
ATOM   103  C C   . LEU A 1 13  ? -26.634 -4.442  -32.648 1.00 18.56  ? 19  LEU B C   1 
ATOM   104  O O   . LEU A 1 13  ? -26.286 -3.449  -33.312 1.00 19.62  ? 19  LEU B O   1 
ATOM   105  C CB  . LEU A 1 13  ? -27.358 -3.707  -30.321 1.00 18.08  ? 19  LEU B CB  1 
ATOM   106  C CG  . LEU A 1 13  ? -27.106 -3.762  -28.817 1.00 20.41  ? 19  LEU B CG  1 
ATOM   107  C CD1 . LEU A 1 13  ? -28.016 -2.819  -28.071 1.00 19.90  ? 19  LEU B CD1 1 
ATOM   108  C CD2 . LEU A 1 13  ? -27.222 -5.204  -28.295 1.00 20.84  ? 19  LEU B CD2 1 
ATOM   109  N N   . ASP A 1 14  ? -27.251 -5.494  -33.156 1.00 18.18  ? 20  ASP B N   1 
ATOM   110  C CA  . ASP A 1 14  ? -27.613 -5.624  -34.585 1.00 19.67  ? 20  ASP B CA  1 
ATOM   111  C C   . ASP A 1 14  ? -29.107 -5.241  -34.733 1.00 19.87  ? 20  ASP B C   1 
ATOM   112  O O   . ASP A 1 14  ? -29.970 -6.070  -34.456 1.00 17.48  ? 20  ASP B O   1 
ATOM   113  C CB  . ASP A 1 14  ? -27.320 -7.039  -35.074 1.00 19.87  ? 20  ASP B CB  1 
ATOM   114  C CG  . ASP A 1 14  ? -27.617 -7.299  -36.543 1.00 24.79  ? 20  ASP B CG  1 
ATOM   115  O OD1 . ASP A 1 14  ? -28.216 -6.415  -37.154 1.00 22.24  ? 20  ASP B OD1 1 
ATOM   116  O OD2 . ASP A 1 14  ? -27.227 -8.403  -37.056 1.00 23.02  ? 20  ASP B OD2 1 
ATOM   117  N N   A ARG A 1 15  ? -29.349 -3.990  -35.158 0.25 20.12  ? 21  ARG B N   1 
ATOM   118  N N   B ARG A 1 15  ? -29.370 -4.015  -35.188 0.25 21.79  ? 21  ARG B N   1 
ATOM   119  C CA  A ARG A 1 15  ? -30.681 -3.396  -35.482 0.25 21.36  ? 21  ARG B CA  1 
ATOM   120  C CA  B ARG A 1 15  ? -30.738 -3.450  -35.346 0.25 24.16  ? 21  ARG B CA  1 
ATOM   121  C C   A ARG A 1 15  ? -31.561 -4.449  -36.164 0.25 20.44  ? 21  ARG B C   1 
ATOM   122  C C   B ARG A 1 15  ? -31.594 -4.388  -36.219 0.25 22.56  ? 21  ARG B C   1 
ATOM   123  O O   A ARG A 1 15  ? -32.748 -4.652  -35.722 0.25 19.54  ? 21  ARG B O   1 
ATOM   124  O O   B ARG A 1 15  ? -32.840 -4.460  -35.963 0.25 23.66  ? 21  ARG B O   1 
ATOM   125  C CB  A ARG A 1 15  ? -30.525 -2.190  -36.424 0.25 21.57  ? 21  ARG B CB  1 
ATOM   126  C CB  B ARG A 1 15  ? -30.644 -2.020  -35.901 0.25 26.97  ? 21  ARG B CB  1 
ATOM   127  C CG  A ARG A 1 15  ? -29.649 -1.075  -35.871 0.25 22.77  ? 21  ARG B CG  1 
ATOM   128  C CG  B ARG A 1 15  ? -29.776 -1.074  -35.077 0.25 30.04  ? 21  ARG B CG  1 
ATOM   129  C CD  A ARG A 1 15  ? -29.534 0.180   -36.730 0.25 22.41  ? 21  ARG B CD  1 
ATOM   130  C CD  B ARG A 1 15  ? -28.303 -1.031  -35.485 0.25 33.61  ? 21  ARG B CD  1 
ATOM   131  N NE  A ARG A 1 15  ? -28.948 1.239   -35.913 0.25 21.23  ? 21  ARG B NE  1 
ATOM   132  N NE  B ARG A 1 15  ? -27.971 -0.004  -36.480 0.25 35.33  ? 21  ARG B NE  1 
ATOM   133  C CZ  A ARG A 1 15  ? -29.604 1.805   -34.919 0.25 19.77  ? 21  ARG B CZ  1 
ATOM   134  C CZ  B ARG A 1 15  ? -27.419 -0.241  -37.670 0.25 37.18  ? 21  ARG B CZ  1 
ATOM   135  N NH1 A ARG A 1 15  ? -30.835 1.407   -34.676 0.25 19.40  ? 21  ARG B NH1 1 
ATOM   136  N NH1 B ARG A 1 15  ? -27.112 -1.473  -38.032 0.25 38.77  ? 21  ARG B NH1 1 
ATOM   137  N NH2 A ARG A 1 15  ? -29.045 2.733   -34.169 0.25 20.34  ? 21  ARG B NH2 1 
ATOM   138  N NH2 B ARG A 1 15  ? -27.149 0.762   -38.486 0.25 38.46  ? 21  ARG B NH2 1 
ATOM   139  N N   . ASN A 1 16  ? -30.980 -5.113  -37.175 1.00 21.56  ? 22  ASN B N   1 
ATOM   140  C CA  . ASN A 1 16  ? -31.729 -5.956  -38.132 1.00 22.01  ? 22  ASN B CA  1 
ATOM   141  C C   . ASN A 1 16  ? -32.381 -7.162  -37.431 1.00 19.92  ? 22  ASN B C   1 
ATOM   142  O O   . ASN A 1 16  ? -33.386 -7.667  -37.963 1.00 18.74  ? 22  ASN B O   1 
ATOM   143  C CB  . ASN A 1 16  ? -30.849 -6.326  -39.330 1.00 27.43  ? 22  ASN B CB  1 
ATOM   144  C CG  . ASN A 1 16  ? -30.647 -5.139  -40.255 1.00 32.75  ? 22  ASN B CG  1 
ATOM   145  O OD1 . ASN A 1 16  ? -31.361 -4.134  -40.175 1.00 42.43  ? 22  ASN B OD1 1 
ATOM   146  N ND2 . ASN A 1 16  ? -29.672 -5.234  -41.138 1.00 43.32  ? 22  ASN B ND2 1 
ATOM   147  N N   . THR A 1 17  ? -31.859 -7.574  -36.269 1.00 16.39  ? 23  THR B N   1 
ATOM   148  C CA  . THR A 1 17  ? -32.389 -8.714  -35.479 1.00 16.84  ? 23  THR B CA  1 
ATOM   149  C C   . THR A 1 17  ? -33.424 -8.219  -34.475 1.00 16.10  ? 23  THR B C   1 
ATOM   150  O O   . THR A 1 17  ? -34.095 -9.053  -33.865 1.00 16.48  ? 23  THR B O   1 
ATOM   151  C CB  . THR A 1 17  ? -31.284 -9.513  -34.761 1.00 15.81  ? 23  THR B CB  1 
ATOM   152  O OG1 . THR A 1 17  ? -30.790 -8.664  -33.720 1.00 15.57  ? 23  THR B OG1 1 
ATOM   153  C CG2 . THR A 1 17  ? -30.223 -10.026 -35.708 1.00 16.22  ? 23  THR B CG2 1 
ATOM   154  N N   . ALA A 1 18  ? -33.557 -6.907  -34.258 1.00 15.91  ? 24  ALA B N   1 
ATOM   155  C CA  . ALA A 1 18  ? -34.375 -6.410  -33.138 1.00 14.49  ? 24  ALA B CA  1 
ATOM   156  C C   . ALA A 1 18  ? -35.878 -6.580  -33.415 1.00 16.30  ? 24  ALA B C   1 
ATOM   157  O O   . ALA A 1 18  ? -36.342 -6.285  -34.527 1.00 16.24  ? 24  ALA B O   1 
ATOM   158  C CB  . ALA A 1 18  ? -34.090 -4.972  -32.878 1.00 16.95  ? 24  ALA B CB  1 
ATOM   159  N N   . ASN A 1 19  ? -36.619 -6.928  -32.369 1.00 16.30  ? 25  ASN B N   1 
ATOM   160  C CA  . ASN A 1 19  ? -38.078 -6.705  -32.328 1.00 16.23  ? 25  ASN B CA  1 
ATOM   161  C C   . ASN A 1 19  ? -38.345 -5.260  -32.812 1.00 16.29  ? 25  ASN B C   1 
ATOM   162  O O   . ASN A 1 19  ? -37.637 -4.305  -32.442 1.00 15.49  ? 25  ASN B O   1 
ATOM   163  C CB  . ASN A 1 19  ? -38.587 -7.008  -30.914 1.00 15.88  ? 25  ASN B CB  1 
ATOM   164  C CG  . ASN A 1 19  ? -40.065 -6.779  -30.787 1.00 19.47  ? 25  ASN B CG  1 
ATOM   165  O OD1 . ASN A 1 19  ? -40.496 -5.648  -30.755 1.00 18.37  ? 25  ASN B OD1 1 
ATOM   166  N ND2 . ASN A 1 19  ? -40.819 -7.854  -30.664 1.00 20.32  ? 25  ASN B ND2 1 
ATOM   167  N N   . SER A 1 20  ? -39.413 -5.083  -33.568 1.00 15.55  ? 26  SER B N   1 
ATOM   168  C CA  . SER A 1 20  ? -39.717 -3.825  -34.292 1.00 17.46  ? 26  SER B CA  1 
ATOM   169  C C   . SER A 1 20  ? -40.154 -2.708  -33.338 1.00 18.03  ? 26  SER B C   1 
ATOM   170  O O   . SER A 1 20  ? -40.195 -1.546  -33.803 1.00 18.98  ? 26  SER B O   1 
ATOM   171  C CB  . SER A 1 20  ? -40.734 -4.093  -35.377 1.00 20.55  ? 26  SER B CB  1 
ATOM   172  O OG  . SER A 1 20  ? -41.939 -4.444  -34.724 1.00 24.97  ? 26  SER B OG  1 
ATOM   173  N N   . TRP A 1 21  ? -40.348 -2.983  -32.041 1.00 16.47  ? 27  TRP B N   1 
ATOM   174  C CA  . TRP A 1 21  ? -40.644 -1.956  -31.018 1.00 17.01  ? 27  TRP B CA  1 
ATOM   175  C C   . TRP A 1 21  ? -39.389 -1.456  -30.329 1.00 16.55  ? 27  TRP B C   1 
ATOM   176  O O   . TRP A 1 21  ? -39.521 -0.539  -29.530 1.00 16.18  ? 27  TRP B O   1 
ATOM   177  C CB  . TRP A 1 21  ? -41.600 -2.500  -29.986 1.00 19.56  ? 27  TRP B CB  1 
ATOM   178  C CG  . TRP A 1 21  ? -42.981 -2.676  -30.519 1.00 22.95  ? 27  TRP B CG  1 
ATOM   179  C CD1 . TRP A 1 21  ? -43.360 -3.390  -31.621 1.00 28.28  ? 27  TRP B CD1 1 
ATOM   180  C CD2 . TRP A 1 21  ? -44.185 -2.146  -29.950 1.00 24.98  ? 27  TRP B CD2 1 
ATOM   181  N NE1 . TRP A 1 21  ? -44.723 -3.339  -31.775 1.00 32.38  ? 27  TRP B NE1 1 
ATOM   182  C CE2 . TRP A 1 21  ? -45.260 -2.627  -30.734 1.00 28.19  ? 27  TRP B CE2 1 
ATOM   183  C CE3 . TRP A 1 21  ? -44.456 -1.331  -28.853 1.00 24.99  ? 27  TRP B CE3 1 
ATOM   184  C CZ2 . TRP A 1 21  ? -46.587 -2.280  -30.469 1.00 30.61  ? 27  TRP B CZ2 1 
ATOM   185  C CZ3 . TRP A 1 21  ? -45.774 -1.017  -28.571 1.00 25.08  ? 27  TRP B CZ3 1 
ATOM   186  C CH2 . TRP A 1 21  ? -46.815 -1.509  -29.347 1.00 29.17  ? 27  TRP B CH2 1 
ATOM   187  N N   . LEU A 1 22  ? -38.210 -2.025  -30.622 1.00 16.80  ? 28  LEU B N   1 
ATOM   188  C CA  . LEU A 1 22  ? -36.985 -1.620  -29.873 1.00 15.38  ? 28  LEU B CA  1 
ATOM   189  C C   . LEU A 1 22  ? -36.360 -0.388  -30.517 1.00 16.74  ? 28  LEU B C   1 
ATOM   190  O O   . LEU A 1 22  ? -36.403 -0.248  -31.749 1.00 15.73  ? 28  LEU B O   1 
ATOM   191  C CB  . LEU A 1 22  ? -35.975 -2.767  -29.806 1.00 14.86  ? 28  LEU B CB  1 
ATOM   192  C CG  . LEU A 1 22  ? -36.446 -4.031  -29.077 1.00 15.73  ? 28  LEU B CG  1 
ATOM   193  C CD1 . LEU A 1 22  ? -35.335 -5.059  -28.978 1.00 15.23  ? 28  LEU B CD1 1 
ATOM   194  C CD2 . LEU A 1 22  ? -36.935 -3.704  -27.684 1.00 17.05  ? 28  LEU B CD2 1 
ATOM   195  N N   . ILE A 1 23  ? -35.731 0.416   -29.680 1.00 15.74  ? 29  ILE B N   1 
ATOM   196  C CA  . ILE A 1 23  ? -34.930 1.592   -30.096 1.00 15.29  ? 29  ILE B CA  1 
ATOM   197  C C   . ILE A 1 23  ? -33.504 1.327   -29.635 1.00 15.09  ? 29  ILE B C   1 
ATOM   198  O O   . ILE A 1 23  ? -33.239 1.303   -28.407 1.00 15.56  ? 29  ILE B O   1 
ATOM   199  C CB  . ILE A 1 23  ? -35.466 2.900   -29.510 1.00 15.71  ? 29  ILE B CB  1 
ATOM   200  C CG1 . ILE A 1 23  ? -36.951 3.145   -29.853 1.00 17.91  ? 29  ILE B CG1 1 
ATOM   201  C CG2 . ILE A 1 23  ? -34.554 4.058   -29.939 1.00 16.78  ? 29  ILE B CG2 1 
ATOM   202  C CD1 . ILE A 1 23  ? -37.560 4.349   -29.183 1.00 18.16  ? 29  ILE B CD1 1 
ATOM   203  N N   . ILE A 1 24  ? -32.635 1.181   -30.611 1.00 16.68  ? 30  ILE B N   1 
ATOM   204  C CA  . ILE A 1 24  ? -31.176 1.025   -30.401 1.00 18.83  ? 30  ILE B CA  1 
ATOM   205  C C   . ILE A 1 24  ? -30.514 2.390   -30.603 1.00 19.16  ? 30  ILE B C   1 
ATOM   206  O O   . ILE A 1 24  ? -30.765 3.068   -31.659 1.00 21.30  ? 30  ILE B O   1 
ATOM   207  C CB  . ILE A 1 24  ? -30.627 -0.053  -31.328 1.00 17.60  ? 30  ILE B CB  1 
ATOM   208  C CG1 . ILE A 1 24  ? -31.137 -1.408  -30.865 1.00 19.04  ? 30  ILE B CG1 1 
ATOM   209  C CG2 . ILE A 1 24  ? -29.102 -0.038  -31.365 1.00 16.93  ? 30  ILE B CG2 1 
ATOM   210  C CD1 . ILE A 1 24  ? -31.098 -2.387  -31.893 1.00 22.73  ? 30  ILE B CD1 1 
ATOM   211  N N   . SER A 1 25  ? -29.638 2.748   -29.682 1.00 18.51  ? 31  SER B N   1 
ATOM   212  C CA  . SER A 1 25  ? -28.924 4.045   -29.690 1.00 18.70  ? 31  SER B CA  1 
ATOM   213  C C   . SER A 1 25  ? -28.025 4.131   -30.931 1.00 19.71  ? 31  SER B C   1 
ATOM   214  O O   . SER A 1 25  ? -27.670 3.101   -31.520 1.00 20.40  ? 31  SER B O   1 
ATOM   215  C CB  . SER A 1 25  ? -28.117 4.202   -28.420 1.00 20.69  ? 31  SER B CB  1 
ATOM   216  O OG  . SER A 1 25  ? -27.168 3.156   -28.331 1.00 20.21  ? 31  SER B OG  1 
ATOM   217  N N   . LYS A 1 26  ? -27.646 5.363   -31.304 1.00 22.66  ? 32  LYS B N   1 
ATOM   218  C CA  . LYS A 1 26  ? -26.775 5.655   -32.467 1.00 24.24  ? 32  LYS B CA  1 
ATOM   219  C C   . LYS A 1 26  ? -25.457 4.867   -32.379 1.00 21.87  ? 32  LYS B C   1 
ATOM   220  O O   . LYS A 1 26  ? -25.029 4.336   -33.409 1.00 24.02  ? 32  LYS B O   1 
ATOM   221  C CB  . LYS A 1 26  ? -26.495 7.158   -32.467 1.00 27.58  ? 32  LYS B CB  1 
ATOM   222  C CG  . LYS A 1 26  ? -25.625 7.598   -33.626 1.00 34.23  ? 32  LYS B CG  1 
ATOM   223  C CD  . LYS A 1 26  ? -25.598 9.098   -33.775 1.00 38.24  ? 32  LYS B CD  1 
ATOM   224  C CE  . LYS A 1 26  ? -25.273 9.830   -32.493 1.00 41.31  ? 32  LYS B CE  1 
ATOM   225  N NZ  . LYS A 1 26  ? -25.476 11.279  -32.690 1.00 47.82  ? 32  LYS B NZ  1 
ATOM   226  N N   . ASP A 1 27  ? -24.894 4.742   -31.178 1.00 23.44  ? 33  ASP B N   1 
ATOM   227  C CA  . ASP A 1 27  ? -23.600 4.041   -30.936 1.00 22.40  ? 33  ASP B CA  1 
ATOM   228  C C   . ASP A 1 27  ? -23.799 2.512   -30.910 1.00 21.63  ? 33  ASP B C   1 
ATOM   229  O O   . ASP A 1 27  ? -22.769 1.765   -30.777 1.00 20.50  ? 33  ASP B O   1 
ATOM   230  C CB  . ASP A 1 27  ? -22.917 4.606   -29.690 1.00 24.66  ? 33  ASP B CB  1 
ATOM   231  C CG  . ASP A 1 27  ? -23.552 4.261   -28.350 1.00 24.08  ? 33  ASP B CG  1 
ATOM   232  O OD1 . ASP A 1 27  ? -24.632 3.616   -28.318 1.00 24.84  ? 33  ASP B OD1 1 
ATOM   233  O OD2 . ASP A 1 27  ? -22.988 4.680   -27.343 1.00 30.03  ? 33  ASP B OD2 1 
ATOM   234  N N   . ARG A 1 28  ? -25.041 2.034   -30.982 1.00 19.45  ? 34  ARG B N   1 
ATOM   235  C CA  . ARG A 1 28  ? -25.381 0.578   -30.968 1.00 18.90  ? 34  ARG B CA  1 
ATOM   236  C C   . ARG A 1 28  ? -24.934 -0.077  -29.646 1.00 17.37  ? 34  ARG B C   1 
ATOM   237  O O   . ARG A 1 28  ? -24.796 -1.335  -29.601 1.00 17.76  ? 34  ARG B O   1 
ATOM   238  C CB  . ARG A 1 28  ? -24.845 -0.107  -32.236 1.00 23.51  ? 34  ARG B CB  1 
ATOM   239  C CG  . ARG A 1 28  ? -25.317 0.567   -33.525 1.00 28.36  ? 34  ARG B CG  1 
ATOM   240  C CD  . ARG A 1 28  ? -24.955 -0.152  -34.804 1.00 36.16  ? 34  ARG B CD  1 
ATOM   241  N NE  . ARG A 1 28  ? -23.537 -0.417  -34.957 1.00 47.76  ? 34  ARG B NE  1 
ATOM   242  C CZ  . ARG A 1 28  ? -22.937 -1.616  -34.826 1.00 62.48  ? 34  ARG B CZ  1 
ATOM   243  N NH1 . ARG A 1 28  ? -23.626 -2.714  -34.519 1.00 58.87  ? 34  ARG B NH1 1 
ATOM   244  N NH2 . ARG A 1 28  ? -21.625 -1.709  -35.012 1.00 65.78  ? 34  ARG B NH2 1 
ATOM   245  N N   . ARG A 1 29  ? -24.897 0.686   -28.558 1.00 16.38  ? 35  ARG B N   1 
ATOM   246  C CA  . ARG A 1 29  ? -24.525 0.163   -27.225 1.00 18.68  ? 35  ARG B CA  1 
ATOM   247  C C   . ARG A 1 29  ? -25.681 0.159   -26.227 1.00 17.80  ? 35  ARG B C   1 
ATOM   248  O O   . ARG A 1 29  ? -25.466 -0.400  -25.126 1.00 18.97  ? 35  ARG B O   1 
ATOM   249  C CB  . ARG A 1 29  ? -23.350 0.957   -26.651 1.00 19.74  ? 35  ARG B CB  1 
ATOM   250  C CG  . ARG A 1 29  ? -22.122 0.837   -27.543 1.00 22.28  ? 35  ARG B CG  1 
ATOM   251  C CD  . ARG A 1 29  ? -21.277 -0.387  -27.286 1.00 26.66  ? 35  ARG B CD  1 
ATOM   252  N NE  . ARG A 1 29  ? -20.488 -0.170  -26.069 1.00 28.53  ? 35  ARG B NE  1 
ATOM   253  C CZ  . ARG A 1 29  ? -19.707 -1.089  -25.527 1.00 28.49  ? 35  ARG B CZ  1 
ATOM   254  N NH1 . ARG A 1 29  ? -19.594 -2.264  -26.116 1.00 27.60  ? 35  ARG B NH1 1 
ATOM   255  N NH2 . ARG A 1 29  ? -19.044 -0.824  -24.410 1.00 27.64  ? 35  ARG B NH2 1 
ATOM   256  N N   . GLN A 1 30  ? -26.841 0.734   -26.557 1.00 16.59  ? 36  GLN B N   1 
ATOM   257  C CA  . GLN A 1 30  ? -28.025 0.781   -25.660 1.00 15.86  ? 36  GLN B CA  1 
ATOM   258  C C   . GLN A 1 30  ? -29.279 0.363   -26.429 1.00 15.21  ? 36  GLN B C   1 
ATOM   259  O O   . GLN A 1 30  ? -29.399 0.628   -27.666 1.00 15.54  ? 36  GLN B O   1 
ATOM   260  C CB  . GLN A 1 30  ? -28.292 2.171   -25.084 1.00 19.15  ? 36  GLN B CB  1 
ATOM   261  C CG  . GLN A 1 30  ? -27.092 2.755   -24.399 1.00 24.09  ? 36  GLN B CG  1 
ATOM   262  C CD  . GLN A 1 30  ? -27.468 3.998   -23.632 1.00 25.20  ? 36  GLN B CD  1 
ATOM   263  O OE1 . GLN A 1 30  ? -28.612 4.208   -23.234 1.00 27.41  ? 36  GLN B OE1 1 
ATOM   264  N NE2 . GLN A 1 30  ? -26.459 4.796   -23.380 1.00 28.50  ? 36  GLN B NE2 1 
ATOM   265  N N   . VAL A 1 31  ? -30.178 -0.311  -25.730 1.00 14.31  ? 37  VAL B N   1 
ATOM   266  C CA  . VAL A 1 31  ? -31.473 -0.690  -26.354 1.00 14.05  ? 37  VAL B CA  1 
ATOM   267  C C   . VAL A 1 31  ? -32.565 -0.466  -25.316 1.00 15.34  ? 37  VAL B C   1 
ATOM   268  O O   . VAL A 1 31  ? -32.381 -0.800  -24.147 1.00 15.97  ? 37  VAL B O   1 
ATOM   269  C CB  . VAL A 1 31  ? -31.445 -2.106  -26.942 1.00 13.51  ? 37  VAL B CB  1 
ATOM   270  C CG1 . VAL A 1 31  ? -31.005 -3.168  -25.932 1.00 13.69  ? 37  VAL B CG1 1 
ATOM   271  C CG2 . VAL A 1 31  ? -32.781 -2.474  -27.587 1.00 14.69  ? 37  VAL B CG2 1 
ATOM   272  N N   . ARG A 1 32  ? -33.706 0.034   -25.753 1.00 15.92  ? 38  ARG B N   1 
ATOM   273  C CA  . ARG A 1 32  ? -34.881 0.131   -24.854 1.00 16.47  ? 38  ARG B CA  1 
ATOM   274  C C   . ARG A 1 32  ? -36.149 -0.156  -25.644 1.00 17.21  ? 38  ARG B C   1 
ATOM   275  O O   . ARG A 1 32  ? -36.142 -0.098  -26.893 1.00 16.65  ? 38  ARG B O   1 
ATOM   276  C CB  . ARG A 1 32  ? -34.992 1.499   -24.170 1.00 17.75  ? 38  ARG B CB  1 
ATOM   277  C CG  . ARG A 1 32  ? -35.312 2.658   -25.097 1.00 19.64  ? 38  ARG B CG  1 
ATOM   278  C CD  . ARG A 1 32  ? -35.219 3.990   -24.358 1.00 22.07  ? 38  ARG B CD  1 
ATOM   279  N NE  . ARG A 1 32  ? -35.449 5.092   -25.287 1.00 26.44  ? 38  ARG B NE  1 
ATOM   280  C CZ  . ARG A 1 32  ? -36.620 5.548   -25.697 1.00 28.05  ? 38  ARG B CZ  1 
ATOM   281  N NH1 . ARG A 1 32  ? -37.744 4.955   -25.343 1.00 31.71  ? 38  ARG B NH1 1 
ATOM   282  N NH2 . ARG A 1 32  ? -36.651 6.552   -26.572 1.00 31.91  ? 38  ARG B NH2 1 
ATOM   283  N N   A MET A 1 33  ? -37.217 -0.443  -24.906 0.39 17.76  ? 39  MET B N   1 
ATOM   284  N N   B MET A 1 33  ? -37.211 -0.461  -24.900 0.35 19.53  ? 39  MET B N   1 
ATOM   285  C CA  A MET A 1 33  ? -38.585 -0.656  -25.455 0.39 19.19  ? 39  MET B CA  1 
ATOM   286  C CA  B MET A 1 33  ? -38.599 -0.617  -25.416 0.35 22.31  ? 39  MET B CA  1 
ATOM   287  C C   A MET A 1 33  ? -39.170 0.695   -25.866 0.39 19.47  ? 39  MET B C   1 
ATOM   288  C C   B MET A 1 33  ? -39.093 0.750   -25.894 0.35 21.23  ? 39  MET B C   1 
ATOM   289  O O   A MET A 1 33  ? -39.210 1.591   -25.016 0.39 21.13  ? 39  MET B O   1 
ATOM   290  O O   B MET A 1 33  ? -38.948 1.727   -25.140 0.35 22.66  ? 39  MET B O   1 
ATOM   291  C CB  A MET A 1 33  ? -39.489 -1.293  -24.396 0.39 18.84  ? 39  MET B CB  1 
ATOM   292  C CB  B MET A 1 33  ? -39.525 -1.128  -24.308 0.35 24.76  ? 39  MET B CB  1 
ATOM   293  C CG  A MET A 1 33  ? -40.958 -1.357  -24.804 0.39 18.98  ? 39  MET B CG  1 
ATOM   294  C CG  B MET A 1 33  ? -40.967 -1.372  -24.751 0.35 27.14  ? 39  MET B CG  1 
ATOM   295  S SD  A MET A 1 33  ? -41.143 -2.452  -26.217 0.39 18.18  ? 39  MET B SD  1 
ATOM   296  S SD  B MET A 1 33  ? -41.281 -3.110  -25.166 0.35 30.53  ? 39  MET B SD  1 
ATOM   297  C CE  A MET A 1 33  ? -41.707 -3.956  -25.431 0.39 18.98  ? 39  MET B CE  1 
ATOM   298  C CE  B MET A 1 33  ? -42.109 -2.882  -26.730 0.35 30.19  ? 39  MET B CE  1 
ATOM   299  N N   . GLY A 1 34  ? -39.619 0.827   -27.112 1.00 19.78  ? 40  GLY B N   1 
ATOM   300  C CA  . GLY A 1 34  ? -40.309 2.037   -27.581 1.00 20.08  ? 40  GLY B CA  1 
ATOM   301  C C   . GLY A 1 34  ? -41.772 1.998   -27.157 1.00 23.44  ? 40  GLY B C   1 
ATOM   302  O O   . GLY A 1 34  ? -42.235 0.909   -26.770 1.00 21.23  ? 40  GLY B O   1 
ATOM   303  N N   . ASP A 1 35  ? -42.487 3.118   -27.271 1.00 27.36  ? 41  ASP B N   1 
ATOM   304  C CA  . ASP A 1 35  ? -43.924 3.146   -26.855 1.00 34.16  ? 41  ASP B CA  1 
ATOM   305  C C   . ASP A 1 35  ? -44.815 2.779   -28.061 1.00 31.66  ? 41  ASP B C   1 
ATOM   306  O O   . ASP A 1 35  ? -46.046 2.604   -27.870 1.00 32.73  ? 41  ASP B O   1 
ATOM   307  C CB  . ASP A 1 35  ? -44.235 4.423   -26.049 1.00 43.43  ? 41  ASP B CB  1 
ATOM   308  C CG  . ASP A 1 35  ? -43.915 4.309   -24.541 1.00 58.34  ? 41  ASP B CG  1 
ATOM   309  O OD1 . ASP A 1 35  ? -43.504 3.203   -24.093 1.00 63.94  ? 41  ASP B OD1 1 
ATOM   310  O OD2 . ASP A 1 35  ? -44.075 5.323   -23.787 1.00 58.92  ? 41  ASP B OD2 1 
ATOM   311  N N   . THR A 1 36  ? -44.223 2.480   -29.219 1.00 26.39  ? 42  THR B N   1 
ATOM   312  C CA  . THR A 1 36  ? -44.952 2.017   -30.422 1.00 25.32  ? 42  THR B CA  1 
ATOM   313  C C   . THR A 1 36  ? -44.025 1.171   -31.287 1.00 23.25  ? 42  THR B C   1 
ATOM   314  O O   . THR A 1 36  ? -42.775 1.215   -31.063 1.00 19.77  ? 42  THR B O   1 
ATOM   315  C CB  . THR A 1 36  ? -45.525 3.247   -31.150 1.00 26.82  ? 42  THR B CB  1 
ATOM   316  O OG1 . THR A 1 36  ? -46.379 2.738   -32.172 1.00 29.71  ? 42  THR B OG1 1 
ATOM   317  C CG2 . THR A 1 36  ? -44.440 4.088   -31.788 1.00 26.81  ? 42  THR B CG2 1 
ATOM   318  N N   . HIS A 1 37  ? -44.564 0.511   -32.315 1.00 25.87  ? 43  HIS B N   1 
ATOM   319  C CA  . HIS A 1 37  ? -43.809 0.005   -33.499 1.00 28.93  ? 43  HIS B CA  1 
ATOM   320  C C   . HIS A 1 37  ? -42.876 1.107   -34.029 1.00 29.47  ? 43  HIS B C   1 
ATOM   321  O O   . HIS A 1 37  ? -43.374 2.241   -34.240 1.00 28.87  ? 43  HIS B O   1 
ATOM   322  C CB  . HIS A 1 37  ? -44.806 -0.546  -34.546 1.00 31.85  ? 43  HIS B CB  1 
ATOM   323  C CG  . HIS A 1 37  ? -44.156 -1.165  -35.741 1.00 28.77  ? 43  HIS B CG  1 
ATOM   324  N ND1 . HIS A 1 37  ? -43.427 -0.416  -36.658 1.00 30.87  ? 43  HIS B ND1 1 
ATOM   325  C CD2 . HIS A 1 37  ? -44.149 -2.440  -36.189 1.00 28.26  ? 43  HIS B CD2 1 
ATOM   326  C CE1 . HIS A 1 37  ? -42.987 -1.223  -37.615 1.00 30.02  ? 43  HIS B CE1 1 
ATOM   327  N NE2 . HIS A 1 37  ? -43.408 -2.473  -37.333 1.00 28.47  ? 43  HIS B NE2 1 
ATOM   328  N N   . GLN A 1 38  ? -41.579 0.810   -34.283 1.00 23.27  ? 44  GLN B N   1 
ATOM   329  C CA  . GLN A 1 38  ? -40.535 1.830   -34.621 1.00 23.64  ? 44  GLN B CA  1 
ATOM   330  C C   . GLN A 1 38  ? -40.309 2.176   -36.116 1.00 28.03  ? 44  GLN B C   1 
ATOM   331  O O   . GLN A 1 38  ? -39.215 2.772   -36.451 1.00 28.27  ? 44  GLN B O   1 
ATOM   332  C CB  . GLN A 1 38  ? -39.221 1.432   -33.954 1.00 22.38  ? 44  GLN B CB  1 
ATOM   333  C CG  . GLN A 1 38  ? -39.276 1.609   -32.456 1.00 20.69  ? 44  GLN B CG  1 
ATOM   334  C CD  . GLN A 1 38  ? -39.763 2.972   -32.036 1.00 22.61  ? 44  GLN B CD  1 
ATOM   335  O OE1 . GLN A 1 38  ? -40.714 3.115   -31.246 1.00 21.35  ? 44  GLN B OE1 1 
ATOM   336  N NE2 . GLN A 1 38  ? -39.115 4.002   -32.569 1.00 20.95  ? 44  GLN B NE2 1 
ATOM   337  N N   . ASN A 1 39  ? -41.284 1.925   -36.979 1.00 24.70  ? 45  ASN B N   1 
ATOM   338  C CA  . ASN A 1 39  ? -41.335 2.455   -38.381 1.00 21.01  ? 45  ASN B CA  1 
ATOM   339  C C   . ASN A 1 39  ? -40.223 1.823   -39.216 1.00 22.83  ? 45  ASN B C   1 
ATOM   340  O O   . ASN A 1 39  ? -39.611 2.526   -40.009 1.00 24.04  ? 45  ASN B O   1 
ATOM   341  C CB  . ASN A 1 39  ? -41.364 4.003   -38.469 1.00 22.94  ? 45  ASN B CB  1 
ATOM   342  C CG  . ASN A 1 39  ? -41.955 4.478   -39.796 1.00 22.72  ? 45  ASN B CG  1 
ATOM   343  O OD1 . ASN A 1 39  ? -42.777 3.770   -40.359 1.00 20.72  ? 45  ASN B OD1 1 
ATOM   344  N ND2 . ASN A 1 39  ? -41.505 5.608   -40.354 1.00 21.78  ? 45  ASN B ND2 1 
ATOM   345  N N   . VAL A 1 40  ? -39.989 0.509   -39.038 1.00 21.60  ? 46  VAL B N   1 
ATOM   346  C CA  . VAL A 1 40  ? -39.006 -0.305  -39.795 1.00 22.64  ? 46  VAL B CA  1 
ATOM   347  C C   . VAL A 1 40  ? -39.782 -1.420  -40.513 1.00 21.40  ? 46  VAL B C   1 
ATOM   348  O O   . VAL A 1 40  ? -40.881 -1.785  -40.028 1.00 21.65  ? 46  VAL B O   1 
ATOM   349  C CB  . VAL A 1 40  ? -37.949 -0.877  -38.830 1.00 23.66  ? 46  VAL B CB  1 
ATOM   350  C CG1 . VAL A 1 40  ? -37.102 0.233   -38.255 1.00 28.17  ? 46  VAL B CG1 1 
ATOM   351  C CG2 . VAL A 1 40  ? -38.562 -1.703  -37.700 1.00 26.05  ? 46  VAL B CG2 1 
ATOM   352  N N   . SER A 1 41  ? -39.240 -1.916  -41.607 1.00 22.85  ? 47  SER B N   1 
ATOM   353  C CA  . SER A 1 41  ? -39.789 -3.096  -42.312 1.00 23.97  ? 47  SER B CA  1 
ATOM   354  C C   . SER A 1 41  ? -39.570 -4.359  -41.470 1.00 24.98  ? 47  SER B C   1 
ATOM   355  O O   . SER A 1 41  ? -38.594 -4.429  -40.712 1.00 20.69  ? 47  SER B O   1 
ATOM   356  C CB  . SER A 1 41  ? -39.213 -3.250  -43.691 1.00 26.58  ? 47  SER B CB  1 
ATOM   357  O OG  . SER A 1 41  ? -37.806 -3.435  -43.650 1.00 27.43  ? 47  SER B OG  1 
ATOM   358  N N   . ASP A 1 42  ? -40.414 -5.362  -41.688 1.00 24.42  ? 48  ASP B N   1 
ATOM   359  C CA  . ASP A 1 42  ? -40.235 -6.718  -41.125 1.00 24.23  ? 48  ASP B CA  1 
ATOM   360  C C   . ASP A 1 42  ? -39.172 -7.422  -41.960 1.00 24.89  ? 48  ASP B C   1 
ATOM   361  O O   . ASP A 1 42  ? -38.925 -7.020  -43.104 1.00 25.93  ? 48  ASP B O   1 
ATOM   362  C CB  . ASP A 1 42  ? -41.547 -7.509  -41.065 1.00 27.15  ? 48  ASP B CB  1 
ATOM   363  C CG  . ASP A 1 42  ? -41.609 -8.502  -39.902 1.00 30.61  ? 48  ASP B CG  1 
ATOM   364  O OD1 . ASP A 1 42  ? -40.564 -8.690  -39.209 1.00 23.26  ? 48  ASP B OD1 1 
ATOM   365  O OD2 . ASP A 1 42  ? -42.738 -9.011  -39.603 1.00 35.60  ? 48  ASP B OD2 1 
ATOM   366  N N   . ASN A 1 43  ? -38.499 -8.398  -41.352 1.00 23.15  ? 49  ASN B N   1 
ATOM   367  C CA  . ASN A 1 43  ? -37.521 -9.287  -42.019 1.00 22.85  ? 49  ASN B CA  1 
ATOM   368  C C   . ASN A 1 43  ? -37.477 -10.593 -41.209 1.00 23.75  ? 49  ASN B C   1 
ATOM   369  O O   . ASN A 1 43  ? -38.029 -10.645 -40.087 1.00 21.72  ? 49  ASN B O   1 
ATOM   370  C CB  . ASN A 1 43  ? -36.169 -8.607  -42.233 1.00 21.71  ? 49  ASN B CB  1 
ATOM   371  C CG  . ASN A 1 43  ? -35.407 -8.399  -40.937 1.00 23.11  ? 49  ASN B CG  1 
ATOM   372  O OD1 . ASN A 1 43  ? -35.193 -9.357  -40.207 1.00 24.22  ? 49  ASN B OD1 1 
ATOM   373  N ND2 . ASN A 1 43  ? -35.063 -7.173  -40.611 1.00 22.40  ? 49  ASN B ND2 1 
ATOM   374  N N   . LYS A 1 44  ? -36.856 -11.613 -41.770 1.00 21.99  ? 50  LYS B N   1 
ATOM   375  C CA  . LYS A 1 44  ? -36.877 -12.975 -41.196 1.00 24.34  ? 50  LYS B CA  1 
ATOM   376  C C   . LYS A 1 44  ? -35.965 -13.036 -39.955 1.00 22.44  ? 50  LYS B C   1 
ATOM   377  O O   . LYS A 1 44  ? -36.142 -14.004 -39.177 1.00 21.93  ? 50  LYS B O   1 
ATOM   378  C CB  . LYS A 1 44  ? -36.415 -13.953 -42.286 1.00 28.67  ? 50  LYS B CB  1 
ATOM   379  C CG  . LYS A 1 44  ? -34.958 -13.800 -42.690 1.00 32.32  ? 50  LYS B CG  1 
ATOM   380  C CD  . LYS A 1 44  ? -34.551 -14.729 -43.815 1.00 44.35  ? 50  LYS B CD  1 
ATOM   381  C CE  . LYS A 1 44  ? -33.201 -15.381 -43.592 1.00 46.59  ? 50  LYS B CE  1 
ATOM   382  N NZ  . LYS A 1 44  ? -32.737 -16.024 -44.842 1.00 51.34  ? 50  LYS B NZ  1 
ATOM   383  N N   . GLU A 1 45  ? -35.061 -12.068 -39.780 1.00 21.44  ? 51  GLU B N   1 
ATOM   384  C CA  . GLU A 1 45  ? -34.136 -12.012 -38.599 1.00 23.03  ? 51  GLU B CA  1 
ATOM   385  C C   . GLU A 1 45  ? -34.883 -11.546 -37.335 1.00 20.92  ? 51  GLU B C   1 
ATOM   386  O O   . GLU A 1 45  ? -34.433 -11.875 -36.199 1.00 20.66  ? 51  GLU B O   1 
ATOM   387  C CB  . GLU A 1 45  ? -32.956 -11.075 -38.857 1.00 26.64  ? 51  GLU B CB  1 
ATOM   388  C CG  . GLU A 1 45  ? -31.953 -11.527 -39.902 1.00 34.70  ? 51  GLU B CG  1 
ATOM   389  C CD  . GLU A 1 45  ? -30.713 -10.628 -39.945 1.00 43.31  ? 51  GLU B CD  1 
ATOM   390  O OE1 . GLU A 1 45  ? -30.678 -9.705  -40.790 1.00 61.18  ? 51  GLU B OE1 1 
ATOM   391  O OE2 . GLU A 1 45  ? -29.788 -10.822 -39.125 1.00 59.60  ? 51  GLU B OE2 1 
ATOM   392  N N   . ARG A 1 46  ? -35.930 -10.726 -37.451 1.00 18.40  ? 52  ARG B N   1 
ATOM   393  C CA  . ARG A 1 46  ? -36.478 -10.014 -36.259 1.00 18.30  ? 52  ARG B CA  1 
ATOM   394  C C   . ARG A 1 46  ? -37.165 -10.974 -35.307 1.00 16.98  ? 52  ARG B C   1 
ATOM   395  O O   . ARG A 1 46  ? -38.021 -11.777 -35.751 1.00 18.97  ? 52  ARG B O   1 
ATOM   396  C CB  . ARG A 1 46  ? -37.499 -8.929  -36.648 1.00 18.08  ? 52  ARG B CB  1 
ATOM   397  C CG  . ARG A 1 46  ? -36.903 -7.757  -37.398 1.00 18.75  ? 52  ARG B CG  1 
ATOM   398  C CD  . ARG A 1 46  ? -37.826 -6.532  -37.340 1.00 17.28  ? 52  ARG B CD  1 
ATOM   399  N NE  . ARG A 1 46  ? -37.312 -5.539  -38.247 1.00 18.21  ? 52  ARG B NE  1 
ATOM   400  C CZ  . ARG A 1 46  ? -36.232 -4.803  -38.024 1.00 19.91  ? 52  ARG B CZ  1 
ATOM   401  N NH1 . ARG A 1 46  ? -35.565 -4.857  -36.864 1.00 17.62  ? 52  ARG B NH1 1 
ATOM   402  N NH2 . ARG A 1 46  ? -35.819 -4.001  -38.983 1.00 21.10  ? 52  ARG B NH2 1 
ATOM   403  N N   . PHE A 1 47  ? -36.879 -10.871 -34.003 1.00 15.95  ? 53  PHE B N   1 
ATOM   404  C CA  . PHE A 1 47  ? -37.681 -11.591 -32.988 1.00 15.62  ? 53  PHE B CA  1 
ATOM   405  C C   . PHE A 1 47  ? -39.097 -11.016 -33.010 1.00 18.34  ? 53  PHE B C   1 
ATOM   406  O O   . PHE A 1 47  ? -39.238 -9.805  -32.771 1.00 17.68  ? 53  PHE B O   1 
ATOM   407  C CB  . PHE A 1 47  ? -37.073 -11.546 -31.593 1.00 15.42  ? 53  PHE B CB  1 
ATOM   408  C CG  . PHE A 1 47  ? -35.820 -12.361 -31.478 1.00 14.82  ? 53  PHE B CG  1 
ATOM   409  C CD1 . PHE A 1 47  ? -35.886 -13.732 -31.240 1.00 15.60  ? 53  PHE B CD1 1 
ATOM   410  C CD2 . PHE A 1 47  ? -34.582 -11.754 -31.538 1.00 16.26  ? 53  PHE B CD2 1 
ATOM   411  C CE1 . PHE A 1 47  ? -34.723 -14.483 -31.109 1.00 15.86  ? 53  PHE B CE1 1 
ATOM   412  C CE2 . PHE A 1 47  ? -33.427 -12.525 -31.421 1.00 16.51  ? 53  PHE B CE2 1 
ATOM   413  C CZ  . PHE A 1 47  ? -33.505 -13.889 -31.256 1.00 14.90  ? 53  PHE B CZ  1 
ATOM   414  N N   . SER A 1 48  ? -40.095 -11.843 -33.306 1.00 18.80  ? 54  SER B N   1 
ATOM   415  C CA  . SER A 1 48  ? -41.494 -11.349 -33.451 1.00 20.06  ? 54  SER B CA  1 
ATOM   416  C C   . SER A 1 48  ? -42.213 -11.255 -32.105 1.00 18.78  ? 54  SER B C   1 
ATOM   417  O O   . SER A 1 48  ? -42.965 -10.282 -31.920 1.00 23.88  ? 54  SER B O   1 
ATOM   418  C CB  . SER A 1 48  ? -42.279 -12.196 -34.421 1.00 20.26  ? 54  SER B CB  1 
ATOM   419  O OG  . SER A 1 48  ? -42.373 -13.523 -33.970 1.00 20.22  ? 54  SER B OG  1 
ATOM   420  N N   . ASN A 1 49  ? -42.072 -12.198 -31.179 1.00 17.94  ? 55  ASN B N   1 
ATOM   421  C CA  . ASN A 1 49  ? -43.013 -12.323 -30.038 1.00 19.02  ? 55  ASN B CA  1 
ATOM   422  C C   . ASN A 1 49  ? -42.527 -11.591 -28.785 1.00 18.20  ? 55  ASN B C   1 
ATOM   423  O O   . ASN A 1 49  ? -43.319 -11.427 -27.816 1.00 19.47  ? 55  ASN B O   1 
ATOM   424  C CB  . ASN A 1 49  ? -43.356 -13.771 -29.732 1.00 19.49  ? 55  ASN B CB  1 
ATOM   425  C CG  . ASN A 1 49  ? -44.297 -14.392 -30.760 1.00 23.27  ? 55  ASN B CG  1 
ATOM   426  O OD1 . ASN A 1 49  ? -44.107 -14.246 -31.972 1.00 23.99  ? 55  ASN B OD1 1 
ATOM   427  N ND2 . ASN A 1 49  ? -45.222 -15.209 -30.270 1.00 24.69  ? 55  ASN B ND2 1 
ATOM   428  N N   . TYR A 1 50  ? -41.234 -11.259 -28.735 1.00 16.31  ? 56  TYR B N   1 
ATOM   429  C CA  . TYR A 1 50  ? -40.604 -10.783 -27.490 1.00 15.57  ? 56  TYR B CA  1 
ATOM   430  C C   . TYR A 1 50  ? -39.632 -9.661  -27.816 1.00 15.14  ? 56  TYR B C   1 
ATOM   431  O O   . TYR A 1 50  ? -39.061 -9.617  -28.908 1.00 15.86  ? 56  TYR B O   1 
ATOM   432  C CB  . TYR A 1 50  ? -39.822 -11.921 -26.838 1.00 15.79  ? 56  TYR B CB  1 
ATOM   433  C CG  . TYR A 1 50  ? -40.526 -13.252 -26.736 1.00 17.13  ? 56  TYR B CG  1 
ATOM   434  C CD1 . TYR A 1 50  ? -41.535 -13.467 -25.811 1.00 18.26  ? 56  TYR B CD1 1 
ATOM   435  C CD2 . TYR A 1 50  ? -40.198 -14.298 -27.575 1.00 17.45  ? 56  TYR B CD2 1 
ATOM   436  C CE1 . TYR A 1 50  ? -42.208 -14.679 -25.729 1.00 19.72  ? 56  TYR B CE1 1 
ATOM   437  C CE2 . TYR A 1 50  ? -40.873 -15.507 -27.527 1.00 17.88  ? 56  TYR B CE2 1 
ATOM   438  C CZ  . TYR A 1 50  ? -41.867 -15.703 -26.583 1.00 18.77  ? 56  TYR B CZ  1 
ATOM   439  O OH  . TYR A 1 50  ? -42.493 -16.913 -26.534 1.00 20.48  ? 56  TYR B OH  1 
ATOM   440  N N   . PRO A 1 51  ? -39.371 -8.773  -26.840 1.00 14.65  ? 57  PRO B N   1 
ATOM   441  C CA  . PRO A 1 51  ? -38.528 -7.584  -27.059 1.00 14.96  ? 57  PRO B CA  1 
ATOM   442  C C   . PRO A 1 51  ? -37.020 -7.909  -27.028 1.00 14.53  ? 57  PRO B C   1 
ATOM   443  O O   . PRO A 1 51  ? -36.282 -7.350  -26.205 1.00 14.66  ? 57  PRO B O   1 
ATOM   444  C CB  . PRO A 1 51  ? -38.884 -6.673  -25.872 1.00 16.62  ? 57  PRO B CB  1 
ATOM   445  C CG  . PRO A 1 51  ? -40.059 -7.323  -25.181 1.00 16.77  ? 57  PRO B CG  1 
ATOM   446  C CD  . PRO A 1 51  ? -40.010 -8.774  -25.541 1.00 15.30  ? 57  PRO B CD  1 
ATOM   447  N N   . MET A 1 52  ? -36.608 -8.806  -27.923 1.00 14.74  ? 58  MET B N   1 
ATOM   448  C CA  . MET A 1 52  ? -35.228 -9.361  -28.023 1.00 13.68  ? 58  MET B CA  1 
ATOM   449  C C   . MET A 1 52  ? -34.407 -8.757  -29.171 1.00 15.10  ? 58  MET B C   1 
ATOM   450  O O   . MET A 1 52  ? -34.941 -8.274  -30.203 1.00 15.14  ? 58  MET B O   1 
ATOM   451  C CB  . MET A 1 52  ? -35.309 -10.892 -28.179 1.00 14.36  ? 58  MET B CB  1 
ATOM   452  C CG  . MET A 1 52  ? -35.937 -11.580 -26.983 1.00 13.64  ? 58  MET B CG  1 
ATOM   453  S SD  . MET A 1 52  ? -36.391 -13.318 -27.400 1.00 15.40  ? 58  MET B SD  1 
ATOM   454  C CE  . MET A 1 52  ? -37.064 -13.896 -25.843 1.00 14.72  ? 58  MET B CE  1 
ATOM   455  N N   . VAL A 1 53  ? -33.074 -8.802  -29.033 1.00 14.55  ? 59  VAL B N   1 
ATOM   456  C CA  . VAL A 1 53  ? -32.124 -8.338  -30.074 1.00 14.51  ? 59  VAL B CA  1 
ATOM   457  C C   . VAL A 1 53  ? -30.804 -9.103  -29.839 1.00 15.43  ? 59  VAL B C   1 
ATOM   458  O O   . VAL A 1 53  ? -30.534 -9.530  -28.677 1.00 13.45  ? 59  VAL B O   1 
ATOM   459  C CB  . VAL A 1 53  ? -31.952 -6.804  -30.020 1.00 14.36  ? 59  VAL B CB  1 
ATOM   460  C CG1 . VAL A 1 53  ? -31.388 -6.315  -28.690 1.00 15.15  ? 59  VAL B CG1 1 
ATOM   461  C CG2 . VAL A 1 53  ? -31.102 -6.269  -31.170 1.00 14.33  ? 59  VAL B CG2 1 
ATOM   462  N N   . LEU A 1 54  ? -30.065 -9.335  -30.908 1.00 15.10  ? 60  LEU B N   1 
ATOM   463  C CA  . LEU A 1 54  ? -28.736 -9.983  -30.870 1.00 14.54  ? 60  LEU B CA  1 
ATOM   464  C C   . LEU A 1 54  ? -27.621 -8.953  -31.004 1.00 16.30  ? 60  LEU B C   1 
ATOM   465  O O   . LEU A 1 54  ? -27.784 -7.851  -31.641 1.00 15.75  ? 60  LEU B O   1 
ATOM   466  C CB  . LEU A 1 54  ? -28.599 -11.021 -31.982 1.00 14.50  ? 60  LEU B CB  1 
ATOM   467  C CG  . LEU A 1 54  ? -29.658 -12.105 -32.009 1.00 15.23  ? 60  LEU B CG  1 
ATOM   468  C CD1 . LEU A 1 54  ? -29.352 -13.196 -33.015 1.00 15.64  ? 60  LEU B CD1 1 
ATOM   469  C CD2 . LEU A 1 54  ? -29.894 -12.720 -30.631 1.00 14.11  ? 60  LEU B CD2 1 
ATOM   470  N N   . GLY A 1 55  ? -26.475 -9.296  -30.425 1.00 15.03  ? 61  GLY B N   1 
ATOM   471  C CA  . GLY A 1 55  ? -25.224 -8.597  -30.770 1.00 15.19  ? 61  GLY B CA  1 
ATOM   472  C C   . GLY A 1 55  ? -24.826 -8.914  -32.204 1.00 15.68  ? 61  GLY B C   1 
ATOM   473  O O   . GLY A 1 55  ? -25.216 -9.985  -32.718 1.00 16.59  ? 61  GLY B O   1 
ATOM   474  N N   . ALA A 1 56  ? -24.091 -8.007  -32.809 1.00 16.84  ? 62  ALA B N   1 
ATOM   475  C CA  . ALA A 1 56  ? -23.551 -8.132  -34.182 1.00 19.81  ? 62  ALA B CA  1 
ATOM   476  C C   . ALA A 1 56  ? -22.441 -9.184  -34.222 1.00 21.55  ? 62  ALA B C   1 
ATOM   477  O O   . ALA A 1 56  ? -22.322 -9.867  -35.252 1.00 23.02  ? 62  ALA B O   1 
ATOM   478  C CB  . ALA A 1 56  ? -23.051 -6.793  -34.638 1.00 21.87  ? 62  ALA B CB  1 
ATOM   479  N N   . GLN A 1 57  ? -21.676 -9.323  -33.138 1.00 19.71  ? 63  GLN B N   1 
ATOM   480  C CA  . GLN A 1 57  ? -20.486 -10.199 -33.132 1.00 19.87  ? 63  GLN B CA  1 
ATOM   481  C C   . GLN A 1 57  ? -20.920 -11.663 -33.152 1.00 21.34  ? 63  GLN B C   1 
ATOM   482  O O   . GLN A 1 57  ? -21.910 -12.004 -32.495 1.00 19.10  ? 63  GLN B O   1 
ATOM   483  C CB  . GLN A 1 57  ? -19.618 -9.870  -31.910 1.00 21.14  ? 63  GLN B CB  1 
ATOM   484  C CG  . GLN A 1 57  ? -18.947 -8.504  -31.994 1.00 23.62  ? 63  GLN B CG  1 
ATOM   485  C CD  . GLN A 1 57  ? -19.904 -7.336  -31.842 1.00 22.28  ? 63  GLN B CD  1 
ATOM   486  O OE1 . GLN A 1 57  ? -20.870 -7.369  -31.086 1.00 21.12  ? 63  GLN B OE1 1 
ATOM   487  N NE2 . GLN A 1 57  ? -19.653 -6.268  -32.572 1.00 23.32  ? 63  GLN B NE2 1 
ATOM   488  N N   . ARG A 1 58  ? -20.178 -12.510 -33.884 1.00 20.91  ? 64  ARG B N   1 
ATOM   489  C CA  . ARG A 1 58  ? -20.362 -13.978 -33.945 1.00 21.21  ? 64  ARG B CA  1 
ATOM   490  C C   . ARG A 1 58  ? -19.092 -14.617 -33.389 1.00 20.43  ? 64  ARG B C   1 
ATOM   491  O O   . ARG A 1 58  ? -17.991 -14.167 -33.786 1.00 22.89  ? 64  ARG B O   1 
ATOM   492  C CB  . ARG A 1 58  ? -20.502 -14.501 -35.386 1.00 26.69  ? 64  ARG B CB  1 
ATOM   493  C CG  . ARG A 1 58  ? -21.868 -14.359 -36.054 1.00 33.56  ? 64  ARG B CG  1 
ATOM   494  C CD  . ARG A 1 58  ? -22.491 -12.982 -35.950 1.00 35.72  ? 64  ARG B CD  1 
ATOM   495  N NE  . ARG A 1 58  ? -23.408 -12.438 -36.972 1.00 41.82  ? 64  ARG B NE  1 
ATOM   496  C CZ  . ARG A 1 58  ? -24.030 -13.060 -37.987 1.00 44.49  ? 64  ARG B CZ  1 
ATOM   497  N NH1 . ARG A 1 58  ? -24.824 -12.343 -38.765 1.00 46.82  ? 64  ARG B NH1 1 
ATOM   498  N NH2 . ARG A 1 58  ? -23.904 -14.353 -38.238 1.00 47.41  ? 64  ARG B NH2 1 
ATOM   499  N N   . PHE A 1 59  ? -19.204 -15.567 -32.464 1.00 20.26  ? 65  PHE B N   1 
ATOM   500  C CA  . PHE A 1 59  ? -18.023 -16.202 -31.818 1.00 19.82  ? 65  PHE B CA  1 
ATOM   501  C C   . PHE A 1 59  ? -18.078 -17.706 -32.079 1.00 18.11  ? 65  PHE B C   1 
ATOM   502  O O   . PHE A 1 59  ? -19.105 -18.316 -31.816 1.00 16.37  ? 65  PHE B O   1 
ATOM   503  C CB  . PHE A 1 59  ? -18.055 -15.949 -30.304 1.00 21.57  ? 65  PHE B CB  1 
ATOM   504  C CG  . PHE A 1 59  ? -18.046 -14.491 -29.935 1.00 21.85  ? 65  PHE B CG  1 
ATOM   505  C CD1 . PHE A 1 59  ? -17.038 -13.658 -30.393 1.00 25.87  ? 65  PHE B CD1 1 
ATOM   506  C CD2 . PHE A 1 59  ? -19.036 -13.954 -29.149 1.00 27.57  ? 65  PHE B CD2 1 
ATOM   507  C CE1 . PHE A 1 59  ? -17.002 -12.312 -30.056 1.00 28.41  ? 65  PHE B CE1 1 
ATOM   508  C CE2 . PHE A 1 59  ? -18.991 -12.611 -28.801 1.00 25.05  ? 65  PHE B CE2 1 
ATOM   509  C CZ  . PHE A 1 59  ? -17.995 -11.796 -29.266 1.00 25.37  ? 65  PHE B CZ  1 
ATOM   510  N N   A SER A 1 60  ? -16.985 -18.304 -32.562 0.25 16.81  ? 66  SER B N   1 
ATOM   511  N N   B SER A 1 60  ? -16.978 -18.281 -32.579 0.25 18.07  ? 66  SER B N   1 
ATOM   512  C CA  A SER A 1 60  ? -16.907 -19.769 -32.809 0.25 16.68  ? 66  SER B CA  1 
ATOM   513  C CA  B SER A 1 60  ? -16.842 -19.734 -32.865 0.25 18.86  ? 66  SER B CA  1 
ATOM   514  C C   A SER A 1 60  ? -15.675 -20.368 -32.108 0.25 16.95  ? 66  SER B C   1 
ATOM   515  C C   B SER A 1 60  ? -15.541 -20.271 -32.258 0.25 19.37  ? 66  SER B C   1 
ATOM   516  O O   A SER A 1 60  ? -15.510 -21.603 -32.147 0.25 16.51  ? 66  SER B O   1 
ATOM   517  O O   B SER A 1 60  ? -15.118 -21.384 -32.627 0.25 19.39  ? 66  SER B O   1 
ATOM   518  C CB  A SER A 1 60  ? -16.943 -20.060 -34.291 0.25 16.79  ? 66  SER B CB  1 
ATOM   519  C CB  B SER A 1 60  ? -16.886 -19.988 -34.340 0.25 19.48  ? 66  SER B CB  1 
ATOM   520  O OG  A SER A 1 60  ? -18.247 -19.818 -34.831 0.25 15.73  ? 66  SER B OG  1 
ATOM   521  O OG  B SER A 1 60  ? -15.848 -19.280 -34.993 0.25 19.51  ? 66  SER B OG  1 
ATOM   522  N N   A SER A 1 61  ? -14.872 -19.529 -31.446 0.25 17.12  ? 67  SER B N   1 
ATOM   523  N N   B SER A 1 61  ? -14.923 -19.505 -31.364 0.25 19.83  ? 67  SER B N   1 
ATOM   524  C CA  A SER A 1 61  ? -13.651 -19.936 -30.706 0.25 18.07  ? 67  SER B CA  1 
ATOM   525  C CA  B SER A 1 61  ? -13.638 -19.869 -30.731 0.25 20.96  ? 67  SER B CA  1 
ATOM   526  C C   A SER A 1 61  ? -13.323 -18.908 -29.620 0.25 19.07  ? 67  SER B C   1 
ATOM   527  C C   B SER A 1 61  ? -13.289 -18.867 -29.633 0.25 20.76  ? 67  SER B C   1 
ATOM   528  O O   A SER A 1 61  ? -13.877 -17.806 -29.665 0.25 18.84  ? 67  SER B O   1 
ATOM   529  O O   B SER A 1 61  ? -13.796 -17.741 -29.686 0.25 20.37  ? 67  SER B O   1 
ATOM   530  C CB  A SER A 1 61  ? -12.487 -20.076 -31.652 0.25 18.25  ? 67  SER B CB  1 
ATOM   531  C CB  B SER A 1 61  ? -12.547 -19.928 -31.765 0.25 22.20  ? 67  SER B CB  1 
ATOM   532  O OG  A SER A 1 61  ? -12.045 -18.792 -32.055 0.25 16.44  ? 67  SER B OG  1 
ATOM   533  O OG  B SER A 1 61  ? -11.394 -20.525 -31.207 0.25 22.72  ? 67  SER B OG  1 
ATOM   534  N N   . GLY A 1 62  ? -12.429 -19.275 -28.699 1.00 20.60  ? 68  GLY B N   1 
ATOM   535  C CA  . GLY A 1 62  ? -11.797 -18.331 -27.772 1.00 22.51  ? 68  GLY B CA  1 
ATOM   536  C C   . GLY A 1 62  ? -12.616 -18.059 -26.525 1.00 21.10  ? 68  GLY B C   1 
ATOM   537  O O   . GLY A 1 62  ? -13.615 -18.760 -26.258 1.00 19.38  ? 68  GLY B O   1 
ATOM   538  N N   . LYS A 1 63  ? -12.136 -17.083 -25.777 1.00 20.76  ? 69  LYS B N   1 
ATOM   539  C CA  . LYS A 1 63  ? -12.721 -16.601 -24.515 1.00 21.21  ? 69  LYS B CA  1 
ATOM   540  C C   . LYS A 1 63  ? -13.157 -15.162 -24.764 1.00 22.37  ? 69  LYS B C   1 
ATOM   541  O O   . LYS A 1 63  ? -12.370 -14.392 -25.333 1.00 23.02  ? 69  LYS B O   1 
ATOM   542  C CB  . LYS A 1 63  ? -11.699 -16.729 -23.379 1.00 23.23  ? 69  LYS B CB  1 
ATOM   543  C CG  . LYS A 1 63  ? -11.253 -18.156 -23.086 1.00 23.93  ? 69  LYS B CG  1 
ATOM   544  C CD  . LYS A 1 63  ? -10.198 -18.277 -21.997 1.00 28.42  ? 69  LYS B CD  1 
ATOM   545  C CE  . LYS A 1 63  ? -9.536  -19.637 -22.013 1.00 32.38  ? 69  LYS B CE  1 
ATOM   546  N NZ  . LYS A 1 63  ? -8.879  -19.927 -20.723 1.00 36.54  ? 69  LYS B NZ  1 
ATOM   547  N N   . MET A 1 64  ? -14.388 -14.835 -24.375 1.00 20.08  ? 70  MET B N   1 
ATOM   548  C CA  . MET A 1 64  ? -15.026 -13.516 -24.606 1.00 19.45  ? 70  MET B CA  1 
ATOM   549  C C   . MET A 1 64  ? -15.688 -13.065 -23.291 1.00 17.32  ? 70  MET B C   1 
ATOM   550  O O   . MET A 1 64  ? -16.302 -13.899 -22.606 1.00 17.31  ? 70  MET B O   1 
ATOM   551  C CB  . MET A 1 64  ? -16.106 -13.631 -25.668 1.00 21.79  ? 70  MET B CB  1 
ATOM   552  C CG  . MET A 1 64  ? -15.610 -13.796 -27.088 1.00 22.76  ? 70  MET B CG  1 
ATOM   553  S SD  . MET A 1 64  ? -14.871 -15.389 -27.549 1.00 24.22  ? 70  MET B SD  1 
ATOM   554  C CE  . MET A 1 64  ? -16.139 -16.583 -27.121 1.00 23.85  ? 70  MET B CE  1 
ATOM   555  N N   . TYR A 1 65  ? -15.612 -11.784 -22.977 1.00 16.42  ? 71  TYR B N   1 
ATOM   556  C CA  . TYR A 1 65  ? -16.221 -11.206 -21.744 1.00 17.56  ? 71  TYR B CA  1 
ATOM   557  C C   . TYR A 1 65  ? -16.840 -9.863  -22.111 1.00 17.82  ? 71  TYR B C   1 
ATOM   558  O O   . TYR A 1 65  ? -16.204 -9.039  -22.850 1.00 18.63  ? 71  TYR B O   1 
ATOM   559  C CB  . TYR A 1 65  ? -15.167 -11.093 -20.637 1.00 20.04  ? 71  TYR B CB  1 
ATOM   560  C CG  . TYR A 1 65  ? -15.679 -10.505 -19.345 1.00 18.07  ? 71  TYR B CG  1 
ATOM   561  C CD1 . TYR A 1 65  ? -16.391 -11.280 -18.442 1.00 19.80  ? 71  TYR B CD1 1 
ATOM   562  C CD2 . TYR A 1 65  ? -15.542 -9.150  -19.089 1.00 18.87  ? 71  TYR B CD2 1 
ATOM   563  C CE1 . TYR A 1 65  ? -16.923 -10.732 -17.278 1.00 19.07  ? 71  TYR B CE1 1 
ATOM   564  C CE2 . TYR A 1 65  ? -16.034 -8.597  -17.916 1.00 18.78  ? 71  TYR B CE2 1 
ATOM   565  C CZ  . TYR A 1 65  ? -16.745 -9.375  -17.029 1.00 19.28  ? 71  TYR B CZ  1 
ATOM   566  O OH  . TYR A 1 65  ? -17.211 -8.764  -15.896 1.00 19.52  ? 71  TYR B OH  1 
ATOM   567  N N   . TRP A 1 66  ? -18.047 -9.604  -21.618 1.00 15.21  ? 72  TRP B N   1 
ATOM   568  C CA  . TRP A 1 66  ? -18.665 -8.264  -21.739 1.00 15.64  ? 72  TRP B CA  1 
ATOM   569  C C   . TRP A 1 66  ? -19.574 -8.007  -20.520 1.00 15.70  ? 72  TRP B C   1 
ATOM   570  O O   . TRP A 1 66  ? -19.877 -8.951  -19.756 1.00 16.32  ? 72  TRP B O   1 
ATOM   571  C CB  . TRP A 1 66  ? -19.391 -8.083  -23.094 1.00 15.03  ? 72  TRP B CB  1 
ATOM   572  C CG  . TRP A 1 66  ? -20.590 -8.954  -23.314 1.00 15.49  ? 72  TRP B CG  1 
ATOM   573  C CD1 . TRP A 1 66  ? -21.920 -8.656  -23.090 1.00 15.39  ? 72  TRP B CD1 1 
ATOM   574  C CD2 . TRP A 1 66  ? -20.578 -10.279 -23.867 1.00 15.80  ? 72  TRP B CD2 1 
ATOM   575  N NE1 . TRP A 1 66  ? -22.712 -9.706  -23.500 1.00 15.18  ? 72  TRP B NE1 1 
ATOM   576  C CE2 . TRP A 1 66  ? -21.918 -10.730 -23.924 1.00 15.80  ? 72  TRP B CE2 1 
ATOM   577  C CE3 . TRP A 1 66  ? -19.557 -11.140 -24.292 1.00 19.55  ? 72  TRP B CE3 1 
ATOM   578  C CZ2 . TRP A 1 66  ? -22.257 -11.989 -24.418 1.00 17.88  ? 72  TRP B CZ2 1 
ATOM   579  C CZ3 . TRP A 1 66  ? -19.896 -12.385 -24.775 1.00 20.52  ? 72  TRP B CZ3 1 
ATOM   580  C CH2 . TRP A 1 66  ? -21.228 -12.793 -24.837 1.00 18.41  ? 72  TRP B CH2 1 
ATOM   581  N N   . GLU A 1 67  ? -19.972 -6.750  -20.328 1.00 15.83  ? 73  GLU B N   1 
ATOM   582  C CA  . GLU A 1 67  ? -20.773 -6.317  -19.155 1.00 16.44  ? 73  GLU B CA  1 
ATOM   583  C C   . GLU A 1 67  ? -21.994 -5.562  -19.646 1.00 16.71  ? 73  GLU B C   1 
ATOM   584  O O   . GLU A 1 67  ? -21.873 -4.796  -20.625 1.00 16.61  ? 73  GLU B O   1 
ATOM   585  C CB  . GLU A 1 67  ? -19.919 -5.496  -18.185 1.00 18.26  ? 73  GLU B CB  1 
ATOM   586  C CG  . GLU A 1 67  ? -18.898 -6.382  -17.456 1.00 19.89  ? 73  GLU B CG  1 
ATOM   587  C CD  . GLU A 1 67  ? -18.015 -5.652  -16.455 1.00 24.25  ? 73  GLU B CD  1 
ATOM   588  O OE1 . GLU A 1 67  ? -18.220 -4.419  -16.320 1.00 25.57  ? 73  GLU B OE1 1 
ATOM   589  O OE2 . GLU A 1 67  ? -17.158 -6.310  -15.781 1.00 22.77  ? 73  GLU B OE2 1 
ATOM   590  N N   . VAL A 1 68  ? -23.115 -5.795  -18.965 1.00 15.83  ? 74  VAL B N   1 
ATOM   591  C CA  . VAL A 1 68  ? -24.406 -5.143  -19.254 1.00 15.13  ? 74  VAL B CA  1 
ATOM   592  C C   . VAL A 1 68  ? -24.967 -4.470  -18.005 1.00 15.21  ? 74  VAL B C   1 
ATOM   593  O O   . VAL A 1 68  ? -25.037 -5.105  -16.941 1.00 15.26  ? 74  VAL B O   1 
ATOM   594  C CB  . VAL A 1 68  ? -25.432 -6.147  -19.802 1.00 15.63  ? 74  VAL B CB  1 
ATOM   595  C CG1 . VAL A 1 68  ? -26.672 -5.409  -20.285 1.00 17.05  ? 74  VAL B CG1 1 
ATOM   596  C CG2 . VAL A 1 68  ? -24.836 -7.019  -20.886 1.00 16.22  ? 74  VAL B CG2 1 
ATOM   597  N N   . ASP A 1 69  ? -25.421 -3.230  -18.168 1.00 15.00  ? 75  ASP B N   1 
ATOM   598  C CA  . ASP A 1 69  ? -26.074 -2.428  -17.110 1.00 16.86  ? 75  ASP B CA  1 
ATOM   599  C C   . ASP A 1 69  ? -27.562 -2.738  -17.154 1.00 15.65  ? 75  ASP B C   1 
ATOM   600  O O   . ASP A 1 69  ? -28.177 -2.677  -18.287 1.00 16.05  ? 75  ASP B O   1 
ATOM   601  C CB  . ASP A 1 69  ? -25.829 -0.936  -17.314 1.00 19.22  ? 75  ASP B CB  1 
ATOM   602  C CG  . ASP A 1 69  ? -26.213 -0.114  -16.100 1.00 21.86  ? 75  ASP B CG  1 
ATOM   603  O OD1 . ASP A 1 69  ? -27.396 -0.081  -15.747 1.00 22.07  ? 75  ASP B OD1 1 
ATOM   604  O OD2 . ASP A 1 69  ? -25.316 0.383   -15.469 1.00 29.35  ? 75  ASP B OD2 1 
ATOM   605  N N   . VAL A 1 70  ? -28.100 -3.145  -16.006 1.00 15.68  ? 76  VAL B N   1 
ATOM   606  C CA  . VAL A 1 70  ? -29.534 -3.507  -15.840 1.00 15.66  ? 76  VAL B CA  1 
ATOM   607  C C   . VAL A 1 70  ? -30.216 -2.574  -14.813 1.00 16.73  ? 76  VAL B C   1 
ATOM   608  O O   . VAL A 1 70  ? -31.314 -2.918  -14.338 1.00 16.83  ? 76  VAL B O   1 
ATOM   609  C CB  . VAL A 1 70  ? -29.695 -5.004  -15.489 1.00 15.08  ? 76  VAL B CB  1 
ATOM   610  C CG1 . VAL A 1 70  ? -29.102 -5.893  -16.619 1.00 15.03  ? 76  VAL B CG1 1 
ATOM   611  C CG2 . VAL A 1 70  ? -29.087 -5.365  -14.137 1.00 15.95  ? 76  VAL B CG2 1 
ATOM   612  N N   . THR A 1 71  ? -29.597 -1.437  -14.472 1.00 17.90  ? 77  THR B N   1 
ATOM   613  C CA  . THR A 1 71  ? -30.099 -0.511  -13.434 1.00 19.39  ? 77  THR B CA  1 
ATOM   614  C C   . THR A 1 71  ? -31.590 -0.219  -13.652 1.00 19.71  ? 77  THR B C   1 
ATOM   615  O O   . THR A 1 71  ? -31.987 0.119   -14.792 1.00 20.30  ? 77  THR B O   1 
ATOM   616  C CB  . THR A 1 71  ? -29.301 0.790   -13.438 1.00 19.75  ? 77  THR B CB  1 
ATOM   617  O OG1 . THR A 1 71  ? -27.942 0.496   -13.117 1.00 22.81  ? 77  THR B OG1 1 
ATOM   618  C CG2 . THR A 1 71  ? -29.893 1.743   -12.430 1.00 21.84  ? 77  THR B CG2 1 
ATOM   619  N N   . GLN A 1 72  ? -32.365 -0.360  -12.573 1.00 24.26  ? 78  GLN B N   1 
ATOM   620  C CA  . GLN A 1 72  ? -33.792 0.017   -12.383 1.00 28.35  ? 78  GLN B CA  1 
ATOM   621  C C   . GLN A 1 72  ? -34.730 -0.820  -13.265 1.00 29.61  ? 78  GLN B C   1 
ATOM   622  O O   . GLN A 1 72  ? -35.913 -0.484  -13.323 1.00 31.43  ? 78  GLN B O   1 
ATOM   623  C CB  . GLN A 1 72  ? -34.003 1.536   -12.499 1.00 37.78  ? 78  GLN B CB  1 
ATOM   624  C CG  . GLN A 1 72  ? -33.597 2.167   -13.825 1.00 46.00  ? 78  GLN B CG  1 
ATOM   625  C CD  . GLN A 1 72  ? -34.352 3.417   -14.219 1.00 51.32  ? 78  GLN B CD  1 
ATOM   626  O OE1 . GLN A 1 72  ? -33.783 4.352   -14.787 1.00 52.81  ? 78  GLN B OE1 1 
ATOM   627  N NE2 . GLN A 1 72  ? -35.662 3.403   -14.014 1.00 52.73  ? 78  GLN B NE2 1 
ATOM   628  N N   . LYS A 1 73  ? -34.281 -1.921  -13.867 1.00 20.00  ? 79  LYS B N   1 
ATOM   629  C CA  . LYS A 1 73  ? -35.216 -2.783  -14.637 1.00 18.38  ? 79  LYS B CA  1 
ATOM   630  C C   . LYS A 1 73  ? -35.874 -3.850  -13.736 1.00 16.43  ? 79  LYS B C   1 
ATOM   631  O O   . LYS A 1 73  ? -35.218 -4.351  -12.802 1.00 19.63  ? 79  LYS B O   1 
ATOM   632  C CB  . LYS A 1 73  ? -34.472 -3.418  -15.813 1.00 19.02  ? 79  LYS B CB  1 
ATOM   633  C CG  . LYS A 1 73  ? -33.992 -2.428  -16.872 1.00 18.72  ? 79  LYS B CG  1 
ATOM   634  C CD  . LYS A 1 73  ? -33.503 -3.070  -18.156 1.00 19.99  ? 79  LYS B CD  1 
ATOM   635  C CE  . LYS A 1 73  ? -34.584 -3.808  -18.943 1.00 18.05  ? 79  LYS B CE  1 
ATOM   636  N NZ  . LYS A 1 73  ? -35.776 -2.954  -19.249 1.00 17.31  ? 79  LYS B NZ  1 
ATOM   637  N N   . GLU A 1 74  ? -37.152 -4.121  -13.978 1.00 15.60  ? 80  GLU B N   1 
ATOM   638  C CA  . GLU A 1 74  ? -37.970 -5.134  -13.284 1.00 17.05  ? 80  GLU B CA  1 
ATOM   639  C C   . GLU A 1 74  ? -37.844 -6.487  -13.988 1.00 16.90  ? 80  GLU B C   1 
ATOM   640  O O   . GLU A 1 74  ? -38.206 -7.511  -13.399 1.00 15.73  ? 80  GLU B O   1 
ATOM   641  C CB  . GLU A 1 74  ? -39.453 -4.736  -13.294 1.00 18.69  ? 80  GLU B CB  1 
ATOM   642  C CG  . GLU A 1 74  ? -39.724 -3.462  -12.527 1.00 20.38  ? 80  GLU B CG  1 
ATOM   643  C CD  . GLU A 1 74  ? -41.190 -3.021  -12.627 1.00 21.50  ? 80  GLU B CD  1 
ATOM   644  O OE1 . GLU A 1 74  ? -41.578 -2.172  -11.809 1.00 23.82  ? 80  GLU B OE1 1 
ATOM   645  O OE2 . GLU A 1 74  ? -41.924 -3.519  -13.540 1.00 24.58  ? 80  GLU B OE2 1 
ATOM   646  N N   . ALA A 1 75  ? -37.506 -6.490  -15.278 1.00 15.27  ? 81  ALA B N   1 
ATOM   647  C CA  . ALA A 1 75  ? -37.482 -7.750  -16.042 1.00 14.32  ? 81  ALA B CA  1 
ATOM   648  C C   . ALA A 1 75  ? -36.484 -7.620  -17.187 1.00 16.03  ? 81  ALA B C   1 
ATOM   649  O O   . ALA A 1 75  ? -36.421 -6.558  -17.845 1.00 14.70  ? 81  ALA B O   1 
ATOM   650  C CB  . ALA A 1 75  ? -38.872 -8.097  -16.560 1.00 15.54  ? 81  ALA B CB  1 
ATOM   651  N N   . TRP A 1 76  ? -35.795 -8.706  -17.472 1.00 14.33  ? 82  TRP B N   1 
ATOM   652  C CA  . TRP A 1 76  ? -34.775 -8.772  -18.562 1.00 14.31  ? 82  TRP B CA  1 
ATOM   653  C C   . TRP A 1 76  ? -34.279 -10.207 -18.677 1.00 13.82  ? 82  TRP B C   1 
ATOM   654  O O   . TRP A 1 76  ? -34.371 -10.966 -17.667 1.00 13.44  ? 82  TRP B O   1 
ATOM   655  C CB  . TRP A 1 76  ? -33.608 -7.796  -18.336 1.00 14.68  ? 82  TRP B CB  1 
ATOM   656  C CG  . TRP A 1 76  ? -32.920 -7.840  -17.008 1.00 14.84  ? 82  TRP B CG  1 
ATOM   657  C CD1 . TRP A 1 76  ? -33.129 -6.986  -15.979 1.00 15.66  ? 82  TRP B CD1 1 
ATOM   658  C CD2 . TRP A 1 76  ? -31.977 -8.811  -16.512 1.00 14.99  ? 82  TRP B CD2 1 
ATOM   659  N NE1 . TRP A 1 76  ? -32.369 -7.310  -14.896 1.00 16.60  ? 82  TRP B NE1 1 
ATOM   660  C CE2 . TRP A 1 76  ? -31.667 -8.454  -15.185 1.00 16.03  ? 82  TRP B CE2 1 
ATOM   661  C CE3 . TRP A 1 76  ? -31.376 -9.958  -17.058 1.00 14.67  ? 82  TRP B CE3 1 
ATOM   662  C CZ2 . TRP A 1 76  ? -30.756 -9.153  -14.401 1.00 14.71  ? 82  TRP B CZ2 1 
ATOM   663  C CZ3 . TRP A 1 76  ? -30.475 -10.653 -16.284 1.00 14.43  ? 82  TRP B CZ3 1 
ATOM   664  C CH2 . TRP A 1 76  ? -30.191 -10.268 -14.960 1.00 15.83  ? 82  TRP B CH2 1 
ATOM   665  N N   . ASP A 1 77  ? -33.737 -10.553 -19.848 1.00 13.20  ? 83  ASP B N   1 
ATOM   666  C CA  . ASP A 1 77  ? -32.986 -11.811 -20.081 1.00 14.08  ? 83  ASP B CA  1 
ATOM   667  C C   . ASP A 1 77  ? -31.629 -11.415 -20.691 1.00 13.37  ? 83  ASP B C   1 
ATOM   668  O O   . ASP A 1 77  ? -31.614 -10.500 -21.545 1.00 14.30  ? 83  ASP B O   1 
ATOM   669  C CB  . ASP A 1 77  ? -33.691 -12.773 -21.045 1.00 15.68  ? 83  ASP B CB  1 
ATOM   670  C CG  . ASP A 1 77  ? -35.195 -12.999 -20.912 1.00 18.08  ? 83  ASP B CG  1 
ATOM   671  O OD1 . ASP A 1 77  ? -35.681 -13.005 -19.808 1.00 20.35  ? 83  ASP B OD1 1 
ATOM   672  O OD2 . ASP A 1 77  ? -35.828 -13.235 -21.948 1.00 18.61  ? 83  ASP B OD2 1 
ATOM   673  N N   . LEU A 1 78  ? -30.553 -12.079 -20.302 1.00 12.55  ? 84  LEU B N   1 
ATOM   674  C CA  . LEU A 1 78  ? -29.192 -11.853 -20.844 1.00 12.80  ? 84  LEU B CA  1 
ATOM   675  C C   . LEU A 1 78  ? -28.494 -13.197 -21.040 1.00 13.04  ? 84  LEU B C   1 
ATOM   676  O O   . LEU A 1 78  ? -28.625 -14.101 -20.190 1.00 12.04  ? 84  LEU B O   1 
ATOM   677  C CB  . LEU A 1 78  ? -28.343 -11.000 -19.910 1.00 13.59  ? 84  LEU B CB  1 
ATOM   678  C CG  . LEU A 1 78  ? -28.732 -9.536  -19.772 1.00 14.12  ? 84  LEU B CG  1 
ATOM   679  C CD1 . LEU A 1 78  ? -27.916 -8.901  -18.656 1.00 15.92  ? 84  LEU B CD1 1 
ATOM   680  C CD2 . LEU A 1 78  ? -28.560 -8.830  -21.079 1.00 15.38  ? 84  LEU B CD2 1 
ATOM   681  N N   . GLY A 1 79  ? -27.634 -13.237 -22.051 1.00 12.15  ? 85  GLY B N   1 
ATOM   682  C CA  . GLY A 1 79  ? -26.675 -14.332 -22.186 1.00 12.98  ? 85  GLY B CA  1 
ATOM   683  C C   . GLY A 1 79  ? -26.165 -14.406 -23.609 1.00 12.00  ? 85  GLY B C   1 
ATOM   684  O O   . GLY A 1 79  ? -25.818 -13.394 -24.174 1.00 11.69  ? 85  GLY B O   1 
ATOM   685  N N   A VAL A 1 80  ? -26.100 -15.627 -24.139 0.25 11.98  ? 86  VAL B N   1 
ATOM   686  N N   B VAL A 1 80  ? -26.152 -15.611 -24.170 0.25 12.16  ? 86  VAL B N   1 
ATOM   687  C CA  A VAL A 1 80  ? -25.658 -15.936 -25.525 0.25 11.99  ? 86  VAL B CA  1 
ATOM   688  C CA  B VAL A 1 80  ? -25.624 -15.901 -25.529 0.25 12.29  ? 86  VAL B CA  1 
ATOM   689  C C   A VAL A 1 80  ? -26.666 -16.899 -26.148 0.25 12.34  ? 86  VAL B C   1 
ATOM   690  C C   B VAL A 1 80  ? -26.509 -16.987 -26.145 0.25 12.43  ? 86  VAL B C   1 
ATOM   691  O O   A VAL A 1 80  ? -27.450 -17.558 -25.420 0.25 12.61  ? 86  VAL B O   1 
ATOM   692  O O   B VAL A 1 80  ? -27.049 -17.822 -25.393 0.25 12.41  ? 86  VAL B O   1 
ATOM   693  C CB  A VAL A 1 80  ? -24.238 -16.541 -25.548 0.25 11.95  ? 86  VAL B CB  1 
ATOM   694  C CB  B VAL A 1 80  ? -24.146 -16.336 -25.448 0.25 12.58  ? 86  VAL B CB  1 
ATOM   695  C CG1 A VAL A 1 80  ? -23.183 -15.497 -25.253 0.25 11.79  ? 86  VAL B CG1 1 
ATOM   696  C CG1 B VAL A 1 80  ? -24.021 -17.781 -25.013 0.25 12.63  ? 86  VAL B CG1 1 
ATOM   697  C CG2 A VAL A 1 80  ? -24.105 -17.707 -24.591 0.25 12.06  ? 86  VAL B CG2 1 
ATOM   698  C CG2 B VAL A 1 80  ? -23.409 -16.114 -26.754 0.25 13.02  ? 86  VAL B CG2 1 
ATOM   699  N N   . CYS A 1 81  ? -26.652 -16.987 -27.467 1.00 12.12  ? 87  CYS B N   1 
ATOM   700  C CA  . CYS A 1 81  ? -27.481 -17.974 -28.155 1.00 13.74  ? 87  CYS B CA  1 
ATOM   701  C C   . CYS A 1 81  ? -26.819 -18.361 -29.476 1.00 13.51  ? 87  CYS B C   1 
ATOM   702  O O   . CYS A 1 81  ? -25.918 -17.654 -29.964 1.00 14.50  ? 87  CYS B O   1 
ATOM   703  C CB  . CYS A 1 81  ? -28.883 -17.435 -28.372 1.00 14.33  ? 87  CYS B CB  1 
ATOM   704  S SG  . CYS A 1 81  ? -28.977 -16.056 -29.562 1.00 15.64  ? 87  CYS B SG  1 
ATOM   705  N N   A ARG A 1 82  ? -27.259 -19.484 -30.031 0.25 13.95  ? 88  ARG B N   1 
ATOM   706  N N   B ARG A 1 82  ? -27.246 -19.489 -30.033 0.25 13.58  ? 88  ARG B N   1 
ATOM   707  C CA  A ARG A 1 82  ? -26.849 -19.930 -31.383 0.25 14.67  ? 88  ARG B CA  1 
ATOM   708  C CA  B ARG A 1 82  ? -26.785 -19.969 -31.360 0.25 14.04  ? 88  ARG B CA  1 
ATOM   709  C C   A ARG A 1 82  ? -27.271 -18.868 -32.392 0.25 14.49  ? 88  ARG B C   1 
ATOM   710  C C   B ARG A 1 82  ? -27.293 -18.985 -32.422 0.25 14.12  ? 88  ARG B C   1 
ATOM   711  O O   A ARG A 1 82  ? -28.331 -18.236 -32.199 0.25 14.18  ? 88  ARG B O   1 
ATOM   712  O O   B ARG A 1 82  ? -28.444 -18.513 -32.283 0.25 13.78  ? 88  ARG B O   1 
ATOM   713  C CB  A ARG A 1 82  ? -27.504 -21.265 -31.733 0.25 15.28  ? 88  ARG B CB  1 
ATOM   714  C CB  B ARG A 1 82  ? -27.285 -21.401 -31.588 0.25 14.14  ? 88  ARG B CB  1 
ATOM   715  C CG  A ARG A 1 82  ? -26.952 -22.423 -30.929 0.25 15.74  ? 88  ARG B CG  1 
ATOM   716  C CG  B ARG A 1 82  ? -26.575 -22.125 -32.721 0.25 14.27  ? 88  ARG B CG  1 
ATOM   717  C CD  A ARG A 1 82  ? -27.632 -23.714 -31.315 0.25 16.95  ? 88  ARG B CD  1 
ATOM   718  C CD  B ARG A 1 82  ? -27.079 -23.532 -32.908 0.25 14.50  ? 88  ARG B CD  1 
ATOM   719  N NE  A ARG A 1 82  ? -27.246 -24.768 -30.396 0.25 16.51  ? 88  ARG B NE  1 
ATOM   720  N NE  B ARG A 1 82  ? -26.948 -24.350 -31.720 0.25 15.04  ? 88  ARG B NE  1 
ATOM   721  C CZ  A ARG A 1 82  ? -28.037 -25.759 -30.041 0.25 16.33  ? 88  ARG B CZ  1 
ATOM   722  C CZ  B ARG A 1 82  ? -27.967 -24.952 -31.111 0.25 14.71  ? 88  ARG B CZ  1 
ATOM   723  N NH1 A ARG A 1 82  ? -29.270 -25.811 -30.508 0.25 15.89  ? 88  ARG B NH1 1 
ATOM   724  N NH1 B ARG A 1 82  ? -29.185 -24.845 -31.611 0.25 15.78  ? 88  ARG B NH1 1 
ATOM   725  N NH2 A ARG A 1 82  ? -27.598 -26.677 -29.204 0.25 17.29  ? 88  ARG B NH2 1 
ATOM   726  N NH2 B ARG A 1 82  ? -27.759 -25.678 -30.029 0.25 14.28  ? 88  ARG B NH2 1 
ATOM   727  N N   . ASP A 1 83  ? -26.482 -18.691 -33.448 1.00 14.42  ? 89  ASP B N   1 
ATOM   728  C CA  . ASP A 1 83  ? -26.880 -17.776 -34.548 1.00 16.80  ? 89  ASP B CA  1 
ATOM   729  C C   . ASP A 1 83  ? -28.186 -18.275 -35.174 1.00 18.44  ? 89  ASP B C   1 
ATOM   730  O O   . ASP A 1 83  ? -28.975 -17.432 -35.650 1.00 21.49  ? 89  ASP B O   1 
ATOM   731  C CB  . ASP A 1 83  ? -25.754 -17.673 -35.571 1.00 19.77  ? 89  ASP B CB  1 
ATOM   732  C CG  . ASP A 1 83  ? -25.352 -18.957 -36.263 1.00 23.54  ? 89  ASP B CG  1 
ATOM   733  O OD1 . ASP A 1 83  ? -25.803 -20.069 -35.867 1.00 26.48  ? 89  ASP B OD1 1 
ATOM   734  O OD2 . ASP A 1 83  ? -24.563 -18.834 -37.231 1.00 28.31  ? 89  ASP B OD2 1 
ATOM   735  N N   . SER A 1 84  ? -28.470 -19.573 -35.123 1.00 16.58  ? 90  SER B N   1 
ATOM   736  C CA  . SER A 1 84  ? -29.634 -20.187 -35.821 1.00 17.91  ? 90  SER B CA  1 
ATOM   737  C C   . SER A 1 84  ? -30.870 -20.363 -34.929 1.00 16.15  ? 90  SER B C   1 
ATOM   738  O O   . SER A 1 84  ? -31.790 -21.069 -35.354 1.00 17.05  ? 90  SER B O   1 
ATOM   739  C CB  . SER A 1 84  ? -29.223 -21.497 -36.443 1.00 19.51  ? 90  SER B CB  1 
ATOM   740  O OG  . SER A 1 84  ? -28.680 -22.365 -35.488 1.00 21.86  ? 90  SER B OG  1 
ATOM   741  N N   . VAL A 1 85  ? -30.967 -19.690 -33.771 1.00 15.20  ? 91  VAL B N   1 
ATOM   742  C CA  . VAL A 1 85  ? -32.184 -19.773 -32.930 1.00 16.03  ? 91  VAL B CA  1 
ATOM   743  C C   . VAL A 1 85  ? -33.403 -19.307 -33.735 1.00 15.71  ? 91  VAL B C   1 
ATOM   744  O O   . VAL A 1 85  ? -33.271 -18.397 -34.585 1.00 16.35  ? 91  VAL B O   1 
ATOM   745  C CB  . VAL A 1 85  ? -32.056 -19.027 -31.587 1.00 16.72  ? 91  VAL B CB  1 
ATOM   746  C CG1 . VAL A 1 85  ? -31.059 -19.725 -30.690 1.00 17.99  ? 91  VAL B CG1 1 
ATOM   747  C CG2 . VAL A 1 85  ? -31.758 -17.541 -31.715 1.00 15.84  ? 91  VAL B CG2 1 
ATOM   748  N N   . GLN A 1 86  ? -34.535 -19.913 -33.408 1.00 17.82  ? 92  GLN B N   1 
ATOM   749  C CA  . GLN A 1 86  ? -35.893 -19.539 -33.887 1.00 19.83  ? 92  GLN B CA  1 
ATOM   750  C C   . GLN A 1 86  ? -36.120 -18.049 -33.581 1.00 18.56  ? 92  GLN B C   1 
ATOM   751  O O   . GLN A 1 86  ? -35.812 -17.589 -32.453 1.00 18.05  ? 92  GLN B O   1 
ATOM   752  C CB  . GLN A 1 86  ? -36.901 -20.461 -33.190 1.00 22.10  ? 92  GLN B CB  1 
ATOM   753  C CG  . GLN A 1 86  ? -38.364 -20.079 -33.335 1.00 24.90  ? 92  GLN B CG  1 
ATOM   754  C CD  . GLN A 1 86  ? -39.254 -20.989 -32.513 1.00 28.23  ? 92  GLN B CD  1 
ATOM   755  O OE1 . GLN A 1 86  ? -38.799 -21.988 -31.931 1.00 29.65  ? 92  GLN B OE1 1 
ATOM   756  N NE2 . GLN A 1 86  ? -40.545 -20.661 -32.453 1.00 28.45  ? 92  GLN B NE2 1 
ATOM   757  N N   . ARG A 1 87  ? -36.681 -17.324 -34.542 1.00 17.38  ? 93  ARG B N   1 
ATOM   758  C CA  . ARG A 1 87  ? -36.949 -15.867 -34.419 1.00 16.23  ? 93  ARG B CA  1 
ATOM   759  C C   . ARG A 1 87  ? -38.459 -15.643 -34.269 1.00 18.17  ? 93  ARG B C   1 
ATOM   760  O O   . ARG A 1 87  ? -38.806 -14.642 -33.614 1.00 16.83  ? 93  ARG B O   1 
ATOM   761  C CB  . ARG A 1 87  ? -36.398 -15.056 -35.605 1.00 17.14  ? 93  ARG B CB  1 
ATOM   762  C CG  . ARG A 1 87  ? -34.911 -15.238 -35.877 1.00 16.38  ? 93  ARG B CG  1 
ATOM   763  C CD  . ARG A 1 87  ? -34.002 -15.024 -34.685 1.00 18.06  ? 93  ARG B CD  1 
ATOM   764  N NE  . ARG A 1 87  ? -32.624 -15.442 -34.996 1.00 18.94  ? 93  ARG B NE  1 
ATOM   765  C CZ  . ARG A 1 87  ? -31.716 -14.710 -35.618 1.00 19.95  ? 93  ARG B CZ  1 
ATOM   766  N NH1 . ARG A 1 87  ? -31.972 -13.464 -35.969 1.00 19.73  ? 93  ARG B NH1 1 
ATOM   767  N NH2 . ARG A 1 87  ? -30.550 -15.246 -35.915 1.00 20.59  ? 93  ARG B NH2 1 
ATOM   768  N N   . LYS A 1 88  ? -39.307 -16.489 -34.868 1.00 16.97  ? 94  LYS B N   1 
ATOM   769  C CA  . LYS A 1 88  ? -40.765 -16.217 -34.988 1.00 18.07  ? 94  LYS B CA  1 
ATOM   770  C C   . LYS A 1 88  ? -41.545 -17.165 -34.086 1.00 20.08  ? 94  LYS B C   1 
ATOM   771  O O   . LYS A 1 88  ? -41.118 -18.339 -33.957 1.00 21.28  ? 94  LYS B O   1 
ATOM   772  C CB  . LYS A 1 88  ? -41.233 -16.389 -36.436 1.00 19.86  ? 94  LYS B CB  1 
ATOM   773  C CG  . LYS A 1 88  ? -40.398 -15.672 -37.480 1.00 20.58  ? 94  LYS B CG  1 
ATOM   774  C CD  . LYS A 1 88  ? -40.274 -14.170 -37.223 1.00 20.78  ? 94  LYS B CD  1 
ATOM   775  C CE  . LYS A 1 88  ? -39.610 -13.438 -38.357 1.00 20.86  ? 94  LYS B CE  1 
ATOM   776  N NZ  . LYS A 1 88  ? -39.513 -11.991 -38.064 1.00 22.04  ? 94  LYS B NZ  1 
ATOM   777  N N   . GLY A 1 89  ? -42.625 -16.679 -33.482 1.00 19.74  ? 95  GLY B N   1 
ATOM   778  C CA  . GLY A 1 89  ? -43.500 -17.519 -32.654 1.00 21.25  ? 95  GLY B CA  1 
ATOM   779  C C   . GLY A 1 89  ? -43.019 -17.665 -31.228 1.00 22.22  ? 95  GLY B C   1 
ATOM   780  O O   . GLY A 1 89  ? -42.097 -16.906 -30.808 1.00 22.45  ? 95  GLY B O   1 
ATOM   781  N N   . GLN A 1 90  ? -43.674 -18.542 -30.486 1.00 21.79  ? 96  GLN B N   1 
ATOM   782  C CA  . GLN A 1 90  ? -43.423 -18.755 -29.053 1.00 24.69  ? 96  GLN B CA  1 
ATOM   783  C C   . GLN A 1 90  ? -42.331 -19.806 -28.909 1.00 20.61  ? 96  GLN B C   1 
ATOM   784  O O   . GLN A 1 90  ? -42.225 -20.733 -29.766 1.00 21.20  ? 96  GLN B O   1 
ATOM   785  C CB  . GLN A 1 90  ? -44.700 -19.171 -28.322 1.00 30.47  ? 96  GLN B CB  1 
ATOM   786  C CG  . GLN A 1 90  ? -45.817 -18.139 -28.376 1.00 34.30  ? 96  GLN B CG  1 
ATOM   787  C CD  . GLN A 1 90  ? -47.129 -18.845 -28.137 1.00 43.95  ? 96  GLN B CD  1 
ATOM   788  O OE1 . GLN A 1 90  ? -47.340 -19.448 -27.086 1.00 47.89  ? 96  GLN B OE1 1 
ATOM   789  N NE2 . GLN A 1 90  ? -47.989 -18.837 -29.144 1.00 48.37  ? 96  GLN B NE2 1 
ATOM   790  N N   . PHE A 1 91  ? -41.448 -19.610 -27.946 1.00 17.95  ? 97  PHE B N   1 
ATOM   791  C CA  . PHE A 1 91  ? -40.377 -20.581 -27.614 1.00 19.98  ? 97  PHE B CA  1 
ATOM   792  C C   . PHE A 1 91  ? -39.901 -20.306 -26.195 1.00 19.29  ? 97  PHE B C   1 
ATOM   793  O O   . PHE A 1 91  ? -40.101 -19.204 -25.658 1.00 20.29  ? 97  PHE B O   1 
ATOM   794  C CB  . PHE A 1 91  ? -39.256 -20.497 -28.649 1.00 19.92  ? 97  PHE B CB  1 
ATOM   795  C CG  . PHE A 1 91  ? -38.602 -19.146 -28.725 1.00 18.87  ? 97  PHE B CG  1 
ATOM   796  C CD1 . PHE A 1 91  ? -37.613 -18.776 -27.823 1.00 20.46  ? 97  PHE B CD1 1 
ATOM   797  C CD2 . PHE A 1 91  ? -38.947 -18.266 -29.736 1.00 20.57  ? 97  PHE B CD2 1 
ATOM   798  C CE1 . PHE A 1 91  ? -37.020 -17.526 -27.915 1.00 18.67  ? 97  PHE B CE1 1 
ATOM   799  C CE2 . PHE A 1 91  ? -38.330 -17.034 -29.848 1.00 20.85  ? 97  PHE B CE2 1 
ATOM   800  C CZ  . PHE A 1 91  ? -37.366 -16.680 -28.943 1.00 20.36  ? 97  PHE B CZ  1 
ATOM   801  N N   A SER A 1 92  ? -39.296 -21.311 -25.564 0.25 19.95  ? 98  SER B N   1 
ATOM   802  N N   B SER A 1 92  ? -39.282 -21.321 -25.589 0.25 19.16  ? 98  SER B N   1 
ATOM   803  C CA  A SER A 1 92  ? -38.688 -21.191 -24.216 0.25 20.21  ? 98  SER B CA  1 
ATOM   804  C CA  B SER A 1 92  ? -38.663 -21.264 -24.242 0.25 18.94  ? 98  SER B CA  1 
ATOM   805  C C   A SER A 1 92  ? -37.175 -20.987 -24.354 0.25 19.29  ? 98  SER B C   1 
ATOM   806  C C   B SER A 1 92  ? -37.160 -20.981 -24.374 0.25 18.57  ? 98  SER B C   1 
ATOM   807  O O   A SER A 1 92  ? -36.579 -21.502 -25.332 0.25 18.88  ? 98  SER B O   1 
ATOM   808  O O   B SER A 1 92  ? -36.553 -21.440 -25.375 0.25 18.22  ? 98  SER B O   1 
ATOM   809  C CB  A SER A 1 92  ? -39.005 -22.395 -23.378 0.25 22.74  ? 98  SER B CB  1 
ATOM   810  C CB  B SER A 1 92  ? -38.914 -22.549 -23.494 0.25 20.32  ? 98  SER B CB  1 
ATOM   811  O OG  A SER A 1 92  ? -38.818 -23.576 -24.136 0.25 23.91  ? 98  SER B OG  1 
ATOM   812  O OG  B SER A 1 92  ? -40.303 -22.735 -23.270 0.25 19.81  ? 98  SER B OG  1 
ATOM   813  N N   . LEU A 1 93  ? -36.595 -20.230 -23.422 1.00 17.59  ? 99  LEU B N   1 
ATOM   814  C CA  . LEU A 1 93  ? -35.132 -20.017 -23.336 1.00 18.29  ? 99  LEU B CA  1 
ATOM   815  C C   . LEU A 1 93  ? -34.518 -21.235 -22.631 1.00 18.72  ? 99  LEU B C   1 
ATOM   816  O O   . LEU A 1 93  ? -34.679 -21.412 -21.408 1.00 20.12  ? 99  LEU B O   1 
ATOM   817  C CB  . LEU A 1 93  ? -34.815 -18.725 -22.584 1.00 17.89  ? 99  LEU B CB  1 
ATOM   818  C CG  . LEU A 1 93  ? -35.285 -17.419 -23.200 1.00 19.14  ? 99  LEU B CG  1 
ATOM   819  C CD1 . LEU A 1 93  ? -34.924 -16.251 -22.285 1.00 20.41  ? 99  LEU B CD1 1 
ATOM   820  C CD2 . LEU A 1 93  ? -34.676 -17.192 -24.574 1.00 19.77  ? 99  LEU B CD2 1 
ATOM   821  N N   . SER A 1 94  ? -33.867 -22.130 -23.367 1.00 15.91  ? 100 SER B N   1 
ATOM   822  C CA  . SER A 1 94  ? -33.268 -23.367 -22.819 1.00 16.82  ? 100 SER B CA  1 
ATOM   823  C C   . SER A 1 94  ? -32.073 -23.729 -23.683 1.00 15.14  ? 100 SER B C   1 
ATOM   824  O O   . SER A 1 94  ? -32.070 -23.372 -24.868 1.00 14.61  ? 100 SER B O   1 
ATOM   825  C CB  . SER A 1 94  ? -34.242 -24.523 -22.812 1.00 17.50  ? 100 SER B CB  1 
ATOM   826  O OG  . SER A 1 94  ? -34.579 -24.905 -24.138 1.00 20.24  ? 100 SER B OG  1 
ATOM   827  N N   . PRO A 1 95  ? -31.083 -24.472 -23.161 1.00 15.02  ? 101 PRO B N   1 
ATOM   828  C CA  . PRO A 1 95  ? -29.991 -24.953 -24.005 1.00 15.91  ? 101 PRO B CA  1 
ATOM   829  C C   . PRO A 1 95  ? -30.499 -25.808 -25.178 1.00 16.59  ? 101 PRO B C   1 
ATOM   830  O O   . PRO A 1 95  ? -29.931 -25.701 -26.281 1.00 15.28  ? 101 PRO B O   1 
ATOM   831  C CB  . PRO A 1 95  ? -29.114 -25.750 -23.021 1.00 17.67  ? 101 PRO B CB  1 
ATOM   832  C CG  . PRO A 1 95  ? -29.360 -25.023 -21.707 1.00 16.93  ? 101 PRO B CG  1 
ATOM   833  C CD  . PRO A 1 95  ? -30.848 -24.749 -21.731 1.00 16.77  ? 101 PRO B CD  1 
ATOM   834  N N   . GLU A 1 96  ? -31.582 -26.579 -24.973 1.00 18.38  ? 102 GLU B N   1 
ATOM   835  C CA  . GLU A 1 96  ? -32.138 -27.429 -26.078 1.00 23.09  ? 102 GLU B CA  1 
ATOM   836  C C   . GLU A 1 96  ? -32.566 -26.549 -27.259 1.00 21.18  ? 102 GLU B C   1 
ATOM   837  O O   . GLU A 1 96  ? -32.430 -27.000 -28.434 1.00 21.63  ? 102 GLU B O   1 
ATOM   838  C CB  . GLU A 1 96  ? -33.289 -28.314 -25.597 1.00 27.78  ? 102 GLU B CB  1 
ATOM   839  C CG  . GLU A 1 96  ? -32.954 -29.022 -24.300 1.00 37.78  ? 102 GLU B CG  1 
ATOM   840  C CD  . GLU A 1 96  ? -33.411 -28.328 -23.020 1.00 42.21  ? 102 GLU B CD  1 
ATOM   841  O OE1 . GLU A 1 96  ? -32.550 -27.700 -22.333 1.00 28.92  ? 102 GLU B OE1 1 
ATOM   842  O OE2 . GLU A 1 96  ? -34.636 -28.458 -22.689 1.00 52.72  ? 102 GLU B OE2 1 
ATOM   843  N N   . ASN A 1 97  ? -33.030 -25.316 -27.001 1.00 19.54  ? 103 ASN B N   1 
ATOM   844  C CA  . ASN A 1 97  ? -33.450 -24.353 -28.055 1.00 17.64  ? 103 ASN B CA  1 
ATOM   845  C C   . ASN A 1 97  ? -32.286 -23.459 -28.496 1.00 16.15  ? 103 ASN B C   1 
ATOM   846  O O   . ASN A 1 97  ? -32.512 -22.593 -29.355 1.00 18.27  ? 103 ASN B O   1 
ATOM   847  C CB  . ASN A 1 97  ? -34.654 -23.512 -27.592 1.00 18.72  ? 103 ASN B CB  1 
ATOM   848  C CG  . ASN A 1 97  ? -35.945 -24.301 -27.584 1.00 22.28  ? 103 ASN B CG  1 
ATOM   849  O OD1 . ASN A 1 97  ? -36.021 -25.366 -28.220 1.00 23.12  ? 103 ASN B OD1 1 
ATOM   850  N ND2 . ASN A 1 97  ? -36.926 -23.853 -26.807 1.00 23.48  ? 103 ASN B ND2 1 
ATOM   851  N N   . GLY A 1 98  ? -31.078 -23.640 -27.952 1.00 14.78  ? 104 GLY B N   1 
ATOM   852  C CA  . GLY A 1 98  ? -29.895 -22.865 -28.369 1.00 14.76  ? 104 GLY B CA  1 
ATOM   853  C C   . GLY A 1 98  ? -29.691 -21.571 -27.569 1.00 14.92  ? 104 GLY B C   1 
ATOM   854  O O   . GLY A 1 98  ? -29.023 -20.677 -28.087 1.00 14.64  ? 104 GLY B O   1 
ATOM   855  N N   . PHE A 1 99  ? -30.157 -21.493 -26.303 1.00 14.87  ? 105 PHE B N   1 
ATOM   856  C CA  . PHE A 1 99  ? -29.934 -20.294 -25.436 1.00 13.63  ? 105 PHE B CA  1 
ATOM   857  C C   . PHE A 1 99  ? -29.249 -20.678 -24.117 1.00 13.51  ? 105 PHE B C   1 
ATOM   858  O O   . PHE A 1 99  ? -29.686 -21.660 -23.486 1.00 14.16  ? 105 PHE B O   1 
ATOM   859  C CB  . PHE A 1 99  ? -31.262 -19.610 -25.073 1.00 14.33  ? 105 PHE B CB  1 
ATOM   860  C CG  . PHE A 1 99  ? -32.087 -19.152 -26.263 1.00 14.25  ? 105 PHE B CG  1 
ATOM   861  C CD1 . PHE A 1 99  ? -32.943 -20.016 -26.912 1.00 14.45  ? 105 PHE B CD1 1 
ATOM   862  C CD2 . PHE A 1 99  ? -31.983 -17.849 -26.731 1.00 15.09  ? 105 PHE B CD2 1 
ATOM   863  C CE1 . PHE A 1 99  ? -33.667 -19.602 -28.017 1.00 15.29  ? 105 PHE B CE1 1 
ATOM   864  C CE2 . PHE A 1 99  ? -32.742 -17.421 -27.805 1.00 14.60  ? 105 PHE B CE2 1 
ATOM   865  C CZ  . PHE A 1 99  ? -33.602 -18.297 -28.424 1.00 14.52  ? 105 PHE B CZ  1 
ATOM   866  N N   . TRP A 1 100 ? -28.291 -19.861 -23.682 1.00 12.56  ? 106 TRP B N   1 
ATOM   867  C CA  . TRP A 1 100 ? -27.587 -19.959 -22.379 1.00 11.37  ? 106 TRP B CA  1 
ATOM   868  C C   . TRP A 1 100 ? -27.747 -18.609 -21.683 1.00 11.49  ? 106 TRP B C   1 
ATOM   869  O O   . TRP A 1 100 ? -27.041 -17.628 -22.061 1.00 11.50  ? 106 TRP B O   1 
ATOM   870  C CB  . TRP A 1 100 ? -26.140 -20.407 -22.578 1.00 12.32  ? 106 TRP B CB  1 
ATOM   871  C CG  . TRP A 1 100 ? -26.078 -21.777 -23.192 1.00 12.70  ? 106 TRP B CG  1 
ATOM   872  C CD1 . TRP A 1 100 ? -25.982 -22.980 -22.542 1.00 14.00  ? 106 TRP B CD1 1 
ATOM   873  C CD2 . TRP A 1 100 ? -26.112 -22.073 -24.610 1.00 13.31  ? 106 TRP B CD2 1 
ATOM   874  N NE1 . TRP A 1 100 ? -25.966 -24.009 -23.477 1.00 13.93  ? 106 TRP B NE1 1 
ATOM   875  C CE2 . TRP A 1 100 ? -26.048 -23.473 -24.743 1.00 14.07  ? 106 TRP B CE2 1 
ATOM   876  C CE3 . TRP A 1 100 ? -26.194 -21.281 -25.752 1.00 13.19  ? 106 TRP B CE3 1 
ATOM   877  C CZ2 . TRP A 1 100 ? -26.080 -24.092 -26.000 1.00 15.97  ? 106 TRP B CZ2 1 
ATOM   878  C CZ3 . TRP A 1 100 ? -26.198 -21.895 -26.986 1.00 14.51  ? 106 TRP B CZ3 1 
ATOM   879  C CH2 . TRP A 1 100 ? -26.159 -23.280 -27.099 1.00 13.64  ? 106 TRP B CH2 1 
ATOM   880  N N   . THR A 1 101 ? -28.776 -18.531 -20.827 1.00 11.95  ? 107 THR B N   1 
ATOM   881  C CA  . THR A 1 101 ? -29.307 -17.221 -20.345 1.00 12.03  ? 107 THR B CA  1 
ATOM   882  C C   . THR A 1 101 ? -29.603 -17.266 -18.840 1.00 12.88  ? 107 THR B C   1 
ATOM   883  O O   . THR A 1 101 ? -29.876 -18.340 -18.300 1.00 12.64  ? 107 THR B O   1 
ATOM   884  C CB  . THR A 1 101 ? -30.566 -16.768 -21.100 1.00 12.72  ? 107 THR B CB  1 
ATOM   885  O OG1 . THR A 1 101 ? -31.604 -17.711 -20.869 1.00 13.61  ? 107 THR B OG1 1 
ATOM   886  C CG2 . THR A 1 101 ? -30.287 -16.600 -22.571 1.00 12.74  ? 107 THR B CG2 1 
ATOM   887  N N   . ILE A 1 102 ? -29.613 -16.081 -18.231 1.00 12.34  ? 108 ILE B N   1 
ATOM   888  C CA  . ILE A 1 102 ? -30.242 -15.831 -16.901 1.00 11.95  ? 108 ILE B CA  1 
ATOM   889  C C   . ILE A 1 102 ? -31.264 -14.714 -17.082 1.00 13.78  ? 108 ILE B C   1 
ATOM   890  O O   . ILE A 1 102 ? -31.240 -13.986 -18.119 1.00 12.79  ? 108 ILE B O   1 
ATOM   891  C CB  . ILE A 1 102 ? -29.225 -15.502 -15.797 1.00 13.84  ? 108 ILE B CB  1 
ATOM   892  C CG1 . ILE A 1 102 ? -28.561 -14.145 -15.970 1.00 14.22  ? 108 ILE B CG1 1 
ATOM   893  C CG2 . ILE A 1 102 ? -28.224 -16.639 -15.648 1.00 14.18  ? 108 ILE B CG2 1 
ATOM   894  C CD1 . ILE A 1 102 ? -27.738 -13.725 -14.764 1.00 14.63  ? 108 ILE B CD1 1 
ATOM   895  N N   . TRP A 1 103 ? -32.126 -14.574 -16.091 1.00 14.27  ? 109 TRP B N   1 
ATOM   896  C CA  . TRP A 1 103 ? -33.156 -13.512 -16.116 1.00 13.74  ? 109 TRP B CA  1 
ATOM   897  C C   . TRP A 1 103 ? -33.616 -13.073 -14.746 1.00 14.03  ? 109 TRP B C   1 
ATOM   898  O O   . TRP A 1 103 ? -33.412 -13.784 -13.755 1.00 13.65  ? 109 TRP B O   1 
ATOM   899  C CB  . TRP A 1 103 ? -34.326 -13.925 -16.959 1.00 16.27  ? 109 TRP B CB  1 
ATOM   900  C CG  . TRP A 1 103 ? -35.116 -15.094 -16.454 1.00 18.01  ? 109 TRP B CG  1 
ATOM   901  C CD1 . TRP A 1 103 ? -36.027 -15.113 -15.430 1.00 19.02  ? 109 TRP B CD1 1 
ATOM   902  C CD2 . TRP A 1 103 ? -35.223 -16.351 -17.112 1.00 19.53  ? 109 TRP B CD2 1 
ATOM   903  N NE1 . TRP A 1 103 ? -36.646 -16.328 -15.371 1.00 21.63  ? 109 TRP B NE1 1 
ATOM   904  C CE2 . TRP A 1 103 ? -36.214 -17.084 -16.434 1.00 19.59  ? 109 TRP B CE2 1 
ATOM   905  C CE3 . TRP A 1 103 ? -34.610 -16.892 -18.242 1.00 20.59  ? 109 TRP B CE3 1 
ATOM   906  C CZ2 . TRP A 1 103 ? -36.548 -18.373 -16.816 1.00 22.90  ? 109 TRP B CZ2 1 
ATOM   907  C CZ3 . TRP A 1 103 ? -34.967 -18.152 -18.633 1.00 20.10  ? 109 TRP B CZ3 1 
ATOM   908  C CH2 . TRP A 1 103 ? -35.921 -18.879 -17.933 1.00 19.84  ? 109 TRP B CH2 1 
ATOM   909  N N   . LEU A 1 104 ? -34.218 -11.863 -14.752 1.00 14.51  ? 110 LEU B N   1 
ATOM   910  C CA  . LEU A 1 104 ? -35.021 -11.319 -13.651 1.00 14.21  ? 110 LEU B CA  1 
ATOM   911  C C   . LEU A 1 104 ? -36.494 -11.316 -14.094 1.00 14.59  ? 110 LEU B C   1 
ATOM   912  O O   . LEU A 1 104 ? -36.812 -10.819 -15.207 1.00 13.85  ? 110 LEU B O   1 
ATOM   913  C CB  . LEU A 1 104 ? -34.539 -9.904  -13.322 1.00 15.19  ? 110 LEU B CB  1 
ATOM   914  C CG  . LEU A 1 104 ? -35.369 -9.135  -12.281 1.00 15.06  ? 110 LEU B CG  1 
ATOM   915  C CD1 . LEU A 1 104 ? -35.379 -9.852  -10.943 1.00 16.39  ? 110 LEU B CD1 1 
ATOM   916  C CD2 . LEU A 1 104 ? -34.877 -7.709  -12.136 1.00 16.00  ? 110 LEU B CD2 1 
ATOM   917  N N   . TRP A 1 105 ? -37.359 -11.813 -13.215 1.00 14.54  ? 111 TRP B N   1 
ATOM   918  C CA  . TRP A 1 105 ? -38.814 -11.857 -13.455 1.00 16.34  ? 111 TRP B CA  1 
ATOM   919  C C   . TRP A 1 105 ? -39.515 -11.881 -12.097 1.00 16.69  ? 111 TRP B C   1 
ATOM   920  O O   . TRP A 1 105 ? -39.183 -12.781 -11.288 1.00 16.16  ? 111 TRP B O   1 
ATOM   921  C CB  . TRP A 1 105 ? -39.141 -13.095 -14.310 1.00 20.94  ? 111 TRP B CB  1 
ATOM   922  C CG  . TRP A 1 105 ? -40.595 -13.325 -14.483 1.00 24.96  ? 111 TRP B CG  1 
ATOM   923  C CD1 . TRP A 1 105 ? -41.382 -14.254 -13.858 1.00 24.79  ? 111 TRP B CD1 1 
ATOM   924  C CD2 . TRP A 1 105 ? -41.460 -12.539 -15.297 1.00 27.17  ? 111 TRP B CD2 1 
ATOM   925  N NE1 . TRP A 1 105 ? -42.678 -14.101 -14.252 1.00 27.07  ? 111 TRP B NE1 1 
ATOM   926  C CE2 . TRP A 1 105 ? -42.754 -13.070 -15.142 1.00 27.40  ? 111 TRP B CE2 1 
ATOM   927  C CE3 . TRP A 1 105 ? -41.264 -11.436 -16.116 1.00 28.03  ? 111 TRP B CE3 1 
ATOM   928  C CZ2 . TRP A 1 105 ? -43.850 -12.552 -15.816 1.00 30.73  ? 111 TRP B CZ2 1 
ATOM   929  C CZ3 . TRP A 1 105 ? -42.351 -10.904 -16.765 1.00 31.95  ? 111 TRP B CZ3 1 
ATOM   930  C CH2 . TRP A 1 105 ? -43.625 -11.451 -16.606 1.00 32.88  ? 111 TRP B CH2 1 
ATOM   931  N N   . GLN A 1 106 ? -40.380 -10.886 -11.829 1.00 17.41  ? 112 GLN B N   1 
ATOM   932  C CA  . GLN A 1 106 ? -41.192 -10.831 -10.572 1.00 18.19  ? 112 GLN B CA  1 
ATOM   933  C C   . GLN A 1 106 ? -40.317 -11.051 -9.357  1.00 19.35  ? 112 GLN B C   1 
ATOM   934  O O   . GLN A 1 106 ? -40.628 -11.955 -8.499  1.00 20.51  ? 112 GLN B O   1 
ATOM   935  C CB  . GLN A 1 106 ? -42.342 -11.838 -10.685 1.00 19.90  ? 112 GLN B CB  1 
ATOM   936  C CG  . GLN A 1 106 ? -43.246 -11.530 -11.871 1.00 21.01  ? 112 GLN B CG  1 
ATOM   937  C CD  . GLN A 1 106 ? -44.576 -12.242 -11.846 1.00 22.73  ? 112 GLN B CD  1 
ATOM   938  O OE1 . GLN A 1 106 ? -45.483 -11.912 -12.612 1.00 28.19  ? 112 GLN B OE1 1 
ATOM   939  N NE2 . GLN A 1 106 ? -44.667 -13.251 -11.014 1.00 21.25  ? 112 GLN B NE2 1 
ATOM   940  N N   . ASP A 1 107 ? -39.267 -10.253 -9.249  1.00 19.59  ? 113 ASP B N   1 
ATOM   941  C CA  . ASP A 1 107 ? -38.371 -10.221 -8.071  1.00 24.85  ? 113 ASP B CA  1 
ATOM   942  C C   . ASP A 1 107 ? -37.597 -11.523 -7.862  1.00 23.78  ? 113 ASP B C   1 
ATOM   943  O O   . ASP A 1 107 ? -36.952 -11.622 -6.805  1.00 29.19  ? 113 ASP B O   1 
ATOM   944  C CB  . ASP A 1 107 ? -39.147 -10.020 -6.761  1.00 29.00  ? 113 ASP B CB  1 
ATOM   945  C CG  . ASP A 1 107 ? -39.495 -8.577  -6.510  1.00 38.37  ? 113 ASP B CG  1 
ATOM   946  O OD1 . ASP A 1 107 ? -38.654 -7.716  -6.846  1.00 45.97  ? 113 ASP B OD1 1 
ATOM   947  O OD2 . ASP A 1 107 ? -40.608 -8.335  -5.983  1.00 51.65  ? 113 ASP B OD2 1 
ATOM   948  N N   . SER A 1 108 ? -37.598 -12.463 -8.792  1.00 20.82  ? 114 SER B N   1 
ATOM   949  C CA  . SER A 1 108 ? -36.696 -13.632 -8.676  1.00 20.59  ? 114 SER B CA  1 
ATOM   950  C C   . SER A 1 108 ? -35.714 -13.687 -9.851  1.00 18.54  ? 114 SER B C   1 
ATOM   951  O O   . SER A 1 108 ? -36.074 -13.363 -11.024 1.00 16.86  ? 114 SER B O   1 
ATOM   952  C CB  . SER A 1 108 ? -37.464 -14.883 -8.456  1.00 26.62  ? 114 SER B CB  1 
ATOM   953  O OG  . SER A 1 108 ? -38.110 -15.243 -9.634  1.00 34.16  ? 114 SER B OG  1 
ATOM   954  N N   . TYR A 1 109 ? -34.482 -14.066 -9.552  1.00 16.30  ? 115 TYR B N   1 
ATOM   955  C CA  . TYR A 1 109 ? -33.463 -14.328 -10.602 1.00 15.90  ? 115 TYR B CA  1 
ATOM   956  C C   . TYR A 1 109 ? -33.422 -15.827 -10.866 1.00 15.39  ? 115 TYR B C   1 
ATOM   957  O O   . TYR A 1 109 ? -33.424 -16.619 -9.912  1.00 15.21  ? 115 TYR B O   1 
ATOM   958  C CB  . TYR A 1 109 ? -32.110 -13.792 -10.166 1.00 15.82  ? 115 TYR B CB  1 
ATOM   959  C CG  . TYR A 1 109 ? -32.087 -12.303 -9.933  1.00 17.03  ? 115 TYR B CG  1 
ATOM   960  C CD1 . TYR A 1 109 ? -32.315 -11.786 -8.671  1.00 18.70  ? 115 TYR B CD1 1 
ATOM   961  C CD2 . TYR A 1 109 ? -31.705 -11.422 -10.929 1.00 15.95  ? 115 TYR B CD2 1 
ATOM   962  C CE1 . TYR A 1 109 ? -32.262 -10.427 -8.421  1.00 19.14  ? 115 TYR B CE1 1 
ATOM   963  C CE2 . TYR A 1 109 ? -31.650 -10.056 -10.689 1.00 16.11  ? 115 TYR B CE2 1 
ATOM   964  C CZ  . TYR A 1 109 ? -31.924 -9.552  -9.430  1.00 17.76  ? 115 TYR B CZ  1 
ATOM   965  O OH  . TYR A 1 109 ? -31.902 -8.197  -9.183  1.00 18.51  ? 115 TYR B OH  1 
ATOM   966  N N   A GLU A 1 110 ? -33.359 -16.228 -12.140 0.25 15.88  ? 116 GLU B N   1 
ATOM   967  N N   B GLU A 1 110 ? -33.412 -16.219 -12.147 0.25 15.78  ? 116 GLU B N   1 
ATOM   968  C CA  A GLU A 1 110 ? -33.386 -17.663 -12.534 0.25 16.35  ? 116 GLU B CA  1 
ATOM   969  C CA  B GLU A 1 110 ? -33.428 -17.640 -12.593 0.25 16.10  ? 116 GLU B CA  1 
ATOM   970  C C   A GLU A 1 110 ? -32.491 -17.901 -13.755 0.25 15.15  ? 116 GLU B C   1 
ATOM   971  C C   B GLU A 1 110 ? -32.380 -17.849 -13.693 0.25 14.92  ? 116 GLU B C   1 
ATOM   972  O O   A GLU A 1 110 ? -32.397 -17.020 -14.622 0.25 15.03  ? 116 GLU B O   1 
ATOM   973  O O   B GLU A 1 110 ? -32.051 -16.883 -14.398 0.25 14.12  ? 116 GLU B O   1 
ATOM   974  C CB  A GLU A 1 110 ? -34.817 -18.136 -12.796 0.25 17.45  ? 116 GLU B CB  1 
ATOM   975  C CB  B GLU A 1 110 ? -34.797 -18.066 -13.131 0.25 17.11  ? 116 GLU B CB  1 
ATOM   976  C CG  A GLU A 1 110 ? -35.725 -17.958 -11.586 0.25 18.79  ? 116 GLU B CG  1 
ATOM   977  C CG  B GLU A 1 110 ? -35.949 -17.802 -12.175 0.25 18.73  ? 116 GLU B CG  1 
ATOM   978  C CD  A GLU A 1 110 ? -37.182 -18.294 -11.827 0.25 20.64  ? 116 GLU B CD  1 
ATOM   979  C CD  B GLU A 1 110 ? -36.131 -18.848 -11.088 0.25 19.77  ? 116 GLU B CD  1 
ATOM   980  O OE1 A GLU A 1 110 ? -37.710 -17.898 -12.885 0.25 21.88  ? 116 GLU B OE1 1 
ATOM   981  O OE1 B GLU A 1 110 ? -35.872 -20.041 -11.350 0.25 22.58  ? 116 GLU B OE1 1 
ATOM   982  O OE2 A GLU A 1 110 ? -37.771 -18.976 -10.972 0.25 21.39  ? 116 GLU B OE2 1 
ATOM   983  O OE2 B GLU A 1 110 ? -36.556 -18.467 -9.993  0.25 24.96  ? 116 GLU B OE2 1 
ATOM   984  N N   . ALA A 1 111 ? -31.851 -19.072 -13.795 1.00 15.01  ? 117 ALA B N   1 
ATOM   985  C CA  . ALA A 1 111 ? -31.080 -19.526 -14.963 1.00 14.29  ? 117 ALA B CA  1 
ATOM   986  C C   . ALA A 1 111 ? -32.027 -20.291 -15.900 1.00 14.41  ? 117 ALA B C   1 
ATOM   987  O O   . ALA A 1 111 ? -32.905 -21.094 -15.453 1.00 14.24  ? 117 ALA B O   1 
ATOM   988  C CB  . ALA A 1 111 ? -29.887 -20.367 -14.575 1.00 15.50  ? 117 ALA B CB  1 
ATOM   989  N N   . GLY A 1 112 ? -31.855 -20.031 -17.195 1.00 14.27  ? 118 GLY B N   1 
ATOM   990  C CA  . GLY A 1 112 ? -32.673 -20.581 -18.293 1.00 15.55  ? 118 GLY B CA  1 
ATOM   991  C C   . GLY A 1 112 ? -32.321 -22.027 -18.604 1.00 16.54  ? 118 GLY B C   1 
ATOM   992  O O   . GLY A 1 112 ? -32.018 -22.362 -19.726 1.00 16.74  ? 118 GLY B O   1 
ATOM   993  N N   . THR A 1 113 ? -32.334 -22.885 -17.614 1.00 18.27  ? 119 THR B N   1 
ATOM   994  C CA  . THR A 1 113 ? -32.296 -24.346 -17.793 1.00 18.45  ? 119 THR B CA  1 
ATOM   995  C C   . THR A 1 113 ? -33.733 -24.823 -18.031 1.00 19.10  ? 119 THR B C   1 
ATOM   996  O O   . THR A 1 113 ? -34.663 -24.025 -17.876 1.00 21.26  ? 119 THR B O   1 
ATOM   997  C CB  . THR A 1 113 ? -31.652 -24.982 -16.567 1.00 17.31  ? 119 THR B CB  1 
ATOM   998  O OG1 . THR A 1 113 ? -32.347 -24.546 -15.399 1.00 17.00  ? 119 THR B OG1 1 
ATOM   999  C CG2 . THR A 1 113 ? -30.181 -24.688 -16.439 1.00 19.03  ? 119 THR B CG2 1 
ATOM   1000 N N   . SER A 1 114 ? -33.923 -26.103 -18.342 1.00 22.31  ? 120 SER B N   1 
ATOM   1001 C CA  . SER A 1 114 ? -35.271 -26.684 -18.534 1.00 24.09  ? 120 SER B CA  1 
ATOM   1002 C C   . SER A 1 114 ? -35.451 -27.844 -17.557 1.00 26.94  ? 120 SER B C   1 
ATOM   1003 O O   . SER A 1 114 ? -34.828 -28.892 -17.714 1.00 27.12  ? 120 SER B O   1 
ATOM   1004 C CB  . SER A 1 114 ? -35.474 -27.150 -19.961 1.00 31.73  ? 120 SER B CB  1 
ATOM   1005 O OG  . SER A 1 114 ? -36.810 -27.600 -20.119 1.00 35.27  ? 120 SER B OG  1 
ATOM   1006 N N   . PRO A 1 115 ? -36.229 -27.688 -16.471 1.00 25.24  ? 121 PRO B N   1 
ATOM   1007 C CA  . PRO A 1 115 ? -36.879 -26.432 -16.106 1.00 25.83  ? 121 PRO B CA  1 
ATOM   1008 C C   . PRO A 1 115 ? -35.891 -25.444 -15.477 1.00 21.94  ? 121 PRO B C   1 
ATOM   1009 O O   . PRO A 1 115 ? -34.742 -25.802 -15.213 1.00 20.21  ? 121 PRO B O   1 
ATOM   1010 C CB  . PRO A 1 115 ? -37.894 -26.869 -15.054 1.00 27.59  ? 121 PRO B CB  1 
ATOM   1011 C CG  . PRO A 1 115 ? -37.191 -28.039 -14.355 1.00 27.00  ? 121 PRO B CG  1 
ATOM   1012 C CD  . PRO A 1 115 ? -36.438 -28.749 -15.466 1.00 26.51  ? 121 PRO B CD  1 
ATOM   1013 N N   . GLN A 1 116 ? -36.356 -24.238 -15.224 1.00 20.83  ? 122 GLN B N   1 
ATOM   1014 C CA  . GLN A 1 116 ? -35.485 -23.116 -14.821 1.00 21.80  ? 122 GLN B CA  1 
ATOM   1015 C C   . GLN A 1 116 ? -34.929 -23.363 -13.414 1.00 19.00  ? 122 GLN B C   1 
ATOM   1016 O O   . GLN A 1 116 ? -35.571 -24.068 -12.633 1.00 18.82  ? 122 GLN B O   1 
ATOM   1017 C CB  . GLN A 1 116 ? -36.188 -21.768 -14.965 1.00 26.10  ? 122 GLN B CB  1 
ATOM   1018 C CG  . GLN A 1 116 ? -37.045 -21.344 -13.787 1.00 33.35  ? 122 GLN B CG  1 
ATOM   1019 C CD  . GLN A 1 116 ? -38.501 -21.336 -14.137 1.00 41.00  ? 122 GLN B CD  1 
ATOM   1020 O OE1 . GLN A 1 116 ? -39.008 -22.250 -14.792 1.00 48.24  ? 122 GLN B OE1 1 
ATOM   1021 N NE2 . GLN A 1 116 ? -39.173 -20.308 -13.661 1.00 45.81  ? 122 GLN B NE2 1 
ATOM   1022 N N   . THR A 1 117 ? -33.756 -22.814 -13.135 1.00 16.09  ? 123 THR B N   1 
ATOM   1023 C CA  . THR A 1 117 ? -33.042 -22.985 -11.850 1.00 15.40  ? 123 THR B CA  1 
ATOM   1024 C C   . THR A 1 117 ? -33.108 -21.671 -11.063 1.00 15.21  ? 123 THR B C   1 
ATOM   1025 O O   . THR A 1 117 ? -32.635 -20.620 -11.564 1.00 14.81  ? 123 THR B O   1 
ATOM   1026 C CB  . THR A 1 117 ? -31.593 -23.432 -12.108 1.00 15.92  ? 123 THR B CB  1 
ATOM   1027 O OG1 . THR A 1 117 ? -31.651 -24.662 -12.825 1.00 17.00  ? 123 THR B OG1 1 
ATOM   1028 C CG2 . THR A 1 117 ? -30.799 -23.605 -10.839 1.00 17.43  ? 123 THR B CG2 1 
ATOM   1029 N N   . THR A 1 118 ? -33.519 -21.753 -9.799  1.00 15.56  ? 124 THR B N   1 
ATOM   1030 C CA  . THR A 1 118 ? -33.416 -20.652 -8.808  1.00 16.50  ? 124 THR B CA  1 
ATOM   1031 C C   . THR A 1 118 ? -31.974 -20.198 -8.578  1.00 15.68  ? 124 THR B C   1 
ATOM   1032 O O   . THR A 1 118 ? -31.108 -21.036 -8.255  1.00 17.94  ? 124 THR B O   1 
ATOM   1033 C CB  . THR A 1 118 ? -34.096 -21.095 -7.501  1.00 19.14  ? 124 THR B CB  1 
ATOM   1034 O OG1 . THR A 1 118 ? -35.455 -21.400 -7.827  1.00 20.13  ? 124 THR B OG1 1 
ATOM   1035 C CG2 . THR A 1 118 ? -34.008 -20.066 -6.402  1.00 23.68  ? 124 THR B CG2 1 
ATOM   1036 N N   . LEU A 1 119 ? -31.710 -18.895 -8.701  1.00 14.14  ? 125 LEU B N   1 
ATOM   1037 C CA  . LEU A 1 119 ? -30.400 -18.279 -8.393  1.00 15.39  ? 125 LEU B CA  1 
ATOM   1038 C C   . LEU A 1 119 ? -30.502 -17.674 -6.985  1.00 18.91  ? 125 LEU B C   1 
ATOM   1039 O O   . LEU A 1 119 ? -31.629 -17.382 -6.518  1.00 23.45  ? 125 LEU B O   1 
ATOM   1040 C CB  . LEU A 1 119 ? -30.030 -17.200 -9.413  1.00 15.43  ? 125 LEU B CB  1 
ATOM   1041 C CG  . LEU A 1 119 ? -29.954 -17.728 -10.849 1.00 14.65  ? 125 LEU B CG  1 
ATOM   1042 C CD1 . LEU A 1 119 ? -29.788 -16.599 -11.843 1.00 15.15  ? 125 LEU B CD1 1 
ATOM   1043 C CD2 . LEU A 1 119 ? -28.821 -18.758 -11.000 1.00 16.48  ? 125 LEU B CD2 1 
ATOM   1044 N N   . HIS A 1 120 ? -29.369 -17.539 -6.333  1.00 20.79  ? 126 HIS B N   1 
ATOM   1045 C CA  . HIS A 1 120 ? -29.266 -17.070 -4.929  1.00 21.81  ? 126 HIS B CA  1 
ATOM   1046 C C   . HIS A 1 120 ? -28.407 -15.815 -4.986  1.00 20.87  ? 126 HIS B C   1 
ATOM   1047 O O   . HIS A 1 120 ? -27.201 -15.933 -5.011  1.00 26.84  ? 126 HIS B O   1 
ATOM   1048 C CB  . HIS A 1 120 ? -28.669 -18.166 -4.023  1.00 25.91  ? 126 HIS B CB  1 
ATOM   1049 C CG  . HIS A 1 120 ? -29.437 -19.461 -4.012  1.00 29.19  ? 126 HIS B CG  1 
ATOM   1050 N ND1 . HIS A 1 120 ? -29.046 -20.584 -4.777  1.00 32.39  ? 126 HIS B ND1 1 
ATOM   1051 C CD2 . HIS A 1 120 ? -30.559 -19.830 -3.350  1.00 31.92  ? 126 HIS B CD2 1 
ATOM   1052 C CE1 . HIS A 1 120 ? -29.951 -21.545 -4.619  1.00 34.59  ? 126 HIS B CE1 1 
ATOM   1053 N NE2 . HIS A 1 120 ? -30.859 -21.125 -3.721  1.00 31.14  ? 126 HIS B NE2 1 
ATOM   1054 N N   . ILE A 1 121 ? -29.003 -14.654 -5.114  1.00 21.96  ? 127 ILE B N   1 
ATOM   1055 C CA  . ILE A 1 121 ? -28.240 -13.384 -5.216  1.00 24.71  ? 127 ILE B CA  1 
ATOM   1056 C C   . ILE A 1 121 ? -28.592 -12.518 -3.993  1.00 27.32  ? 127 ILE B C   1 
ATOM   1057 O O   . ILE A 1 121 ? -29.753 -12.173 -3.826  1.00 30.95  ? 127 ILE B O   1 
ATOM   1058 C CB  . ILE A 1 121 ? -28.487 -12.672 -6.565  1.00 27.44  ? 127 ILE B CB  1 
ATOM   1059 C CG1 . ILE A 1 121 ? -28.333 -13.607 -7.772  1.00 25.07  ? 127 ILE B CG1 1 
ATOM   1060 C CG2 . ILE A 1 121 ? -27.505 -11.520 -6.677  1.00 28.75  ? 127 ILE B CG2 1 
ATOM   1061 C CD1 . ILE A 1 121 ? -28.549 -12.933 -9.107  1.00 26.67  ? 127 ILE B CD1 1 
ATOM   1062 N N   . GLN A 1 122 ? -27.608 -12.188 -3.173  1.00 31.83  ? 128 GLN B N   1 
ATOM   1063 C CA  . GLN A 1 122 ? -27.838 -11.400 -1.926  1.00 34.82  ? 128 GLN B CA  1 
ATOM   1064 C C   . GLN A 1 122 ? -27.887 -9.906  -2.285  1.00 30.36  ? 128 GLN B C   1 
ATOM   1065 O O   . GLN A 1 122 ? -28.653 -9.167  -1.629  1.00 29.89  ? 128 GLN B O   1 
ATOM   1066 C CB  . GLN A 1 122 ? -26.760 -11.789 -0.903  1.00 41.66  ? 128 GLN B CB  1 
ATOM   1067 C CG  . GLN A 1 122 ? -26.789 -10.983 0.397   1.00 55.20  ? 128 GLN B CG  1 
ATOM   1068 C CD  . GLN A 1 122 ? -28.026 -11.165 1.256   1.00 62.48  ? 128 GLN B CD  1 
ATOM   1069 O OE1 . GLN A 1 122 ? -28.896 -11.996 0.993   1.00 67.46  ? 128 GLN B OE1 1 
ATOM   1070 N NE2 . GLN A 1 122 ? -28.118 -10.368 2.310   1.00 67.29  ? 128 GLN B NE2 1 
ATOM   1071 N N   . VAL A 1 123 ? -27.143 -9.482  -3.311  1.00 25.50  ? 129 VAL B N   1 
ATOM   1072 C CA  . VAL A 1 123 ? -26.987 -8.046  -3.706  1.00 24.79  ? 129 VAL B CA  1 
ATOM   1073 C C   . VAL A 1 123 ? -27.566 -7.892  -5.118  1.00 24.58  ? 129 VAL B C   1 
ATOM   1074 O O   . VAL A 1 123 ? -26.937 -8.360  -6.082  1.00 24.80  ? 129 VAL B O   1 
ATOM   1075 C CB  . VAL A 1 123 ? -25.510 -7.608  -3.635  1.00 27.52  ? 129 VAL B CB  1 
ATOM   1076 C CG1 . VAL A 1 123 ? -25.292 -6.195  -4.163  1.00 26.89  ? 129 VAL B CG1 1 
ATOM   1077 C CG2 . VAL A 1 123 ? -24.928 -7.738  -2.229  1.00 29.28  ? 129 VAL B CG2 1 
ATOM   1078 N N   . PRO A 1 124 ? -28.814 -7.378  -5.275  1.00 24.70  ? 130 PRO B N   1 
ATOM   1079 C CA  . PRO A 1 124 ? -29.417 -7.185  -6.600  1.00 23.50  ? 130 PRO B CA  1 
ATOM   1080 C C   . PRO A 1 124 ? -28.415 -6.524  -7.531  1.00 23.87  ? 130 PRO B C   1 
ATOM   1081 O O   . PRO A 1 124 ? -27.933 -5.453  -7.237  1.00 20.08  ? 130 PRO B O   1 
ATOM   1082 C CB  . PRO A 1 124 ? -30.647 -6.306  -6.288  1.00 27.29  ? 130 PRO B CB  1 
ATOM   1083 C CG  . PRO A 1 124 ? -31.070 -6.803  -4.899  1.00 26.21  ? 130 PRO B CG  1 
ATOM   1084 C CD  . PRO A 1 124 ? -29.757 -7.017  -4.188  1.00 27.27  ? 130 PRO B CD  1 
ATOM   1085 N N   . PRO A 1 125 ? -28.029 -7.139  -8.671  1.00 20.74  ? 131 PRO B N   1 
ATOM   1086 C CA  . PRO A 1 125 ? -27.015 -6.546  -9.531  1.00 20.21  ? 131 PRO B CA  1 
ATOM   1087 C C   . PRO A 1 125 ? -27.513 -5.338  -10.330 1.00 19.79  ? 131 PRO B C   1 
ATOM   1088 O O   . PRO A 1 125 ? -28.671 -5.368  -10.773 1.00 20.66  ? 131 PRO B O   1 
ATOM   1089 C CB  . PRO A 1 125 ? -26.600 -7.664  -10.501 1.00 21.14  ? 131 PRO B CB  1 
ATOM   1090 C CG  . PRO A 1 125 ? -27.666 -8.714  -10.378 1.00 21.75  ? 131 PRO B CG  1 
ATOM   1091 C CD  . PRO A 1 125 ? -28.425 -8.494  -9.088  1.00 20.19  ? 131 PRO B CD  1 
ATOM   1092 N N   . CYS A 1 126 ? -26.669 -4.307  -10.436 1.00 18.85  ? 132 CYS B N   1 
ATOM   1093 C CA  . CYS A 1 126 ? -26.879 -3.193  -11.389 1.00 20.80  ? 132 CYS B CA  1 
ATOM   1094 C C   . CYS A 1 126 ? -26.103 -3.450  -12.691 1.00 18.78  ? 132 CYS B C   1 
ATOM   1095 O O   . CYS A 1 126 ? -26.466 -2.873  -13.722 1.00 17.85  ? 132 CYS B O   1 
ATOM   1096 C CB  . CYS A 1 126 ? -26.466 -1.854  -10.806 1.00 23.31  ? 132 CYS B CB  1 
ATOM   1097 S SG  . CYS A 1 126 ? -27.517 -1.410  -9.397  1.00 30.42  ? 132 CYS B SG  1 
ATOM   1098 N N   A GLN A 1 127 ? -25.039 -4.262  -12.646 0.25 19.26  ? 133 GLN B N   1 
ATOM   1099 N N   B GLN A 1 127 ? -25.060 -4.289  -12.636 0.25 19.68  ? 133 GLN B N   1 
ATOM   1100 C CA  A GLN A 1 127 ? -24.310 -4.691  -13.873 0.25 19.73  ? 133 GLN B CA  1 
ATOM   1101 C CA  B GLN A 1 127 ? -24.261 -4.691  -13.828 0.25 20.49  ? 133 GLN B CA  1 
ATOM   1102 C C   A GLN A 1 127 ? -23.996 -6.186  -13.784 0.25 19.20  ? 133 GLN B C   1 
ATOM   1103 C C   B GLN A 1 127 ? -23.994 -6.198  -13.774 0.25 19.61  ? 133 GLN B C   1 
ATOM   1104 O O   A GLN A 1 127 ? -23.675 -6.675  -12.681 0.25 17.73  ? 133 GLN B O   1 
ATOM   1105 O O   B GLN A 1 127 ? -23.720 -6.718  -12.672 0.25 18.06  ? 133 GLN B O   1 
ATOM   1106 C CB  A GLN A 1 127 ? -23.015 -3.906  -14.101 0.25 21.54  ? 133 GLN B CB  1 
ATOM   1107 C CB  B GLN A 1 127 ? -22.943 -3.915  -13.904 0.25 23.08  ? 133 GLN B CB  1 
ATOM   1108 C CG  A GLN A 1 127 ? -23.219 -2.414  -14.295 0.25 23.18  ? 133 GLN B CG  1 
ATOM   1109 C CG  B GLN A 1 127 ? -23.103 -2.496  -14.417 0.25 25.18  ? 133 GLN B CG  1 
ATOM   1110 C CD  A GLN A 1 127 ? -23.183 -1.669  -12.987 0.25 24.24  ? 133 GLN B CD  1 
ATOM   1111 C CD  B GLN A 1 127 ? -21.790 -1.770  -14.572 0.25 26.06  ? 133 GLN B CD  1 
ATOM   1112 O OE1 A GLN A 1 127 ? -22.583 -2.120  -12.013 0.25 23.74  ? 133 GLN B OE1 1 
ATOM   1113 O OE1 B GLN A 1 127 ? -20.782 -2.323  -15.026 0.25 27.95  ? 133 GLN B OE1 1 
ATOM   1114 N NE2 A GLN A 1 127 ? -23.831 -0.514  -12.963 0.25 24.85  ? 133 GLN B NE2 1 
ATOM   1115 N NE2 B GLN A 1 127 ? -21.809 -0.497  -14.217 0.25 27.18  ? 133 GLN B NE2 1 
ATOM   1116 N N   . ILE A 1 128 ? -24.051 -6.855  -14.938 1.00 18.63  ? 134 ILE B N   1 
ATOM   1117 C CA  . ILE A 1 128 ? -23.840 -8.322  -15.073 1.00 17.79  ? 134 ILE B CA  1 
ATOM   1118 C C   . ILE A 1 128 ? -22.641 -8.492  -16.007 1.00 16.69  ? 134 ILE B C   1 
ATOM   1119 O O   . ILE A 1 128 ? -22.628 -7.897  -17.133 1.00 15.51  ? 134 ILE B O   1 
ATOM   1120 C CB  . ILE A 1 128 ? -25.109 -8.991  -15.630 1.00 18.76  ? 134 ILE B CB  1 
ATOM   1121 C CG1 . ILE A 1 128 ? -26.348 -8.804  -14.743 1.00 20.09  ? 134 ILE B CG1 1 
ATOM   1122 C CG2 . ILE A 1 128 ? -24.842 -10.460 -15.938 1.00 18.99  ? 134 ILE B CG2 1 
ATOM   1123 C CD1 . ILE A 1 128 ? -26.352 -9.603  -13.522 1.00 21.09  ? 134 ILE B CD1 1 
ATOM   1124 N N   . GLY A 1 129 ? -21.694 -9.340  -15.621 1.00 17.28  ? 135 GLY B N   1 
ATOM   1125 C CA  . GLY A 1 129 ? -20.611 -9.789  -16.505 1.00 16.60  ? 135 GLY B CA  1 
ATOM   1126 C C   . GLY A 1 129 ? -20.940 -11.155 -17.092 1.00 16.25  ? 135 GLY B C   1 
ATOM   1127 O O   . GLY A 1 129 ? -21.462 -12.043 -16.377 1.00 14.91  ? 135 GLY B O   1 
ATOM   1128 N N   . ILE A 1 130 ? -20.747 -11.304 -18.406 1.00 16.21  ? 136 ILE B N   1 
ATOM   1129 C CA  . ILE A 1 130 ? -20.969 -12.563 -19.147 1.00 15.94  ? 136 ILE B CA  1 
ATOM   1130 C C   . ILE A 1 130 ? -19.626 -13.021 -19.707 1.00 15.65  ? 136 ILE B C   1 
ATOM   1131 O O   . ILE A 1 130 ? -18.984 -12.250 -20.417 1.00 16.87  ? 136 ILE B O   1 
ATOM   1132 C CB  . ILE A 1 130 ? -22.005 -12.356 -20.263 1.00 18.07  ? 136 ILE B CB  1 
ATOM   1133 C CG1 . ILE A 1 130 ? -23.316 -11.859 -19.657 1.00 19.89  ? 136 ILE B CG1 1 
ATOM   1134 C CG2 . ILE A 1 130 ? -22.206 -13.626 -21.110 1.00 17.90  ? 136 ILE B CG2 1 
ATOM   1135 C CD1 . ILE A 1 130 ? -24.321 -11.438 -20.645 1.00 22.40  ? 136 ILE B CD1 1 
ATOM   1136 N N   . PHE A 1 131 ? -19.249 -14.242 -19.371 1.00 15.82  ? 137 PHE B N   1 
ATOM   1137 C CA  . PHE A 1 131 ? -17.984 -14.894 -19.798 1.00 15.68  ? 137 PHE B CA  1 
ATOM   1138 C C   . PHE A 1 131 ? -18.345 -16.118 -20.633 1.00 14.28  ? 137 PHE B C   1 
ATOM   1139 O O   . PHE A 1 131 ? -19.109 -16.967 -20.174 1.00 14.33  ? 137 PHE B O   1 
ATOM   1140 C CB  . PHE A 1 131 ? -17.165 -15.362 -18.599 1.00 17.19  ? 137 PHE B CB  1 
ATOM   1141 C CG  . PHE A 1 131 ? -15.890 -16.088 -18.969 1.00 17.58  ? 137 PHE B CG  1 
ATOM   1142 C CD1 . PHE A 1 131 ? -14.884 -15.431 -19.663 1.00 21.04  ? 137 PHE B CD1 1 
ATOM   1143 C CD2 . PHE A 1 131 ? -15.713 -17.426 -18.668 1.00 19.80  ? 137 PHE B CD2 1 
ATOM   1144 C CE1 . PHE A 1 131 ? -13.702 -16.091 -19.982 1.00 22.80  ? 137 PHE B CE1 1 
ATOM   1145 C CE2 . PHE A 1 131 ? -14.543 -18.087 -19.020 1.00 21.30  ? 137 PHE B CE2 1 
ATOM   1146 C CZ  . PHE A 1 131 ? -13.539 -17.420 -19.672 1.00 20.53  ? 137 PHE B CZ  1 
ATOM   1147 N N   . VAL A 1 132 ? -17.784 -16.209 -21.840 1.00 13.62  ? 138 VAL B N   1 
ATOM   1148 C CA  . VAL A 1 132 ? -17.928 -17.428 -22.683 1.00 14.30  ? 138 VAL B CA  1 
ATOM   1149 C C   . VAL A 1 132 ? -16.537 -18.000 -22.978 1.00 14.73  ? 138 VAL B C   1 
ATOM   1150 O O   . VAL A 1 132 ? -15.686 -17.269 -23.471 1.00 15.90  ? 138 VAL B O   1 
ATOM   1151 C CB  . VAL A 1 132 ? -18.673 -17.140 -23.994 1.00 15.74  ? 138 VAL B CB  1 
ATOM   1152 C CG1 . VAL A 1 132 ? -18.813 -18.404 -24.843 1.00 16.89  ? 138 VAL B CG1 1 
ATOM   1153 C CG2 . VAL A 1 132 ? -20.024 -16.509 -23.734 1.00 16.95  ? 138 VAL B CG2 1 
ATOM   1154 N N   . ASP A 1 133 ? -16.368 -19.281 -22.697 1.00 15.48  ? 139 ASP B N   1 
ATOM   1155 C CA  . ASP A 1 133 ? -15.182 -20.075 -23.139 1.00 16.61  ? 139 ASP B CA  1 
ATOM   1156 C C   . ASP A 1 133 ? -15.702 -21.102 -24.153 1.00 14.22  ? 139 ASP B C   1 
ATOM   1157 O O   . ASP A 1 133 ? -16.298 -22.112 -23.782 1.00 15.67  ? 139 ASP B O   1 
ATOM   1158 C CB  . ASP A 1 133 ? -14.413 -20.625 -21.944 1.00 16.71  ? 139 ASP B CB  1 
ATOM   1159 C CG  . ASP A 1 133 ? -13.137 -21.350 -22.353 1.00 20.08  ? 139 ASP B CG  1 
ATOM   1160 O OD1 . ASP A 1 133 ? -13.044 -21.827 -23.532 1.00 19.63  ? 139 ASP B OD1 1 
ATOM   1161 O OD2 . ASP A 1 133 ? -12.316 -21.551 -21.454 1.00 22.63  ? 139 ASP B OD2 1 
ATOM   1162 N N   . TYR A 1 134 ? -15.538 -20.790 -25.438 1.00 15.29  ? 140 TYR B N   1 
ATOM   1163 C CA  . TYR A 1 134 ? -16.084 -21.636 -26.524 1.00 15.72  ? 140 TYR B CA  1 
ATOM   1164 C C   . TYR A 1 134 ? -15.534 -23.072 -26.439 1.00 17.49  ? 140 TYR B C   1 
ATOM   1165 O O   . TYR A 1 134 ? -16.286 -24.047 -26.368 1.00 19.43  ? 140 TYR B O   1 
ATOM   1166 C CB  . TYR A 1 134 ? -15.797 -21.032 -27.894 1.00 16.70  ? 140 TYR B CB  1 
ATOM   1167 C CG  . TYR A 1 134 ? -16.739 -21.626 -28.903 1.00 15.85  ? 140 TYR B CG  1 
ATOM   1168 C CD1 . TYR A 1 134 ? -16.550 -22.909 -29.381 1.00 15.68  ? 140 TYR B CD1 1 
ATOM   1169 C CD2 . TYR A 1 134 ? -17.889 -20.955 -29.304 1.00 16.68  ? 140 TYR B CD2 1 
ATOM   1170 C CE1 . TYR A 1 134 ? -17.450 -23.500 -30.250 1.00 16.81  ? 140 TYR B CE1 1 
ATOM   1171 C CE2 . TYR A 1 134 ? -18.788 -21.526 -30.190 1.00 14.72  ? 140 TYR B CE2 1 
ATOM   1172 C CZ  . TYR A 1 134 ? -18.554 -22.797 -30.700 1.00 16.75  ? 140 TYR B CZ  1 
ATOM   1173 O OH  . TYR A 1 134 ? -19.439 -23.419 -31.556 1.00 16.31  ? 140 TYR B OH  1 
ATOM   1174 N N   . GLU A 1 135 ? -14.211 -23.215 -26.372 1.00 19.42  ? 141 GLU B N   1 
ATOM   1175 C CA  . GLU A 1 135 ? -13.573 -24.559 -26.366 1.00 20.31  ? 141 GLU B CA  1 
ATOM   1176 C C   . GLU A 1 135 ? -13.964 -25.354 -25.112 1.00 20.16  ? 141 GLU B C   1 
ATOM   1177 O O   . GLU A 1 135 ? -14.241 -26.550 -25.244 1.00 22.23  ? 141 GLU B O   1 
ATOM   1178 C CB  . GLU A 1 135 ? -12.063 -24.426 -26.559 1.00 22.63  ? 141 GLU B CB  1 
ATOM   1179 C CG  . GLU A 1 135 ? -11.693 -24.346 -28.047 1.00 26.49  ? 141 GLU B CG  1 
ATOM   1180 C CD  . GLU A 1 135 ? -11.983 -22.980 -28.597 1.00 28.67  ? 141 GLU B CD  1 
ATOM   1181 O OE1 . GLU A 1 135 ? -12.193 -22.859 -29.782 1.00 31.15  ? 141 GLU B OE1 1 
ATOM   1182 O OE2 . GLU A 1 135 ? -11.999 -22.023 -27.797 1.00 36.55  ? 141 GLU B OE2 1 
ATOM   1183 N N   . ALA A 1 136 ? -14.002 -24.738 -23.934 1.00 18.44  ? 142 ALA B N   1 
ATOM   1184 C CA  . ALA A 1 136 ? -14.373 -25.421 -22.682 1.00 19.33  ? 142 ALA B CA  1 
ATOM   1185 C C   . ALA A 1 136 ? -15.875 -25.714 -22.609 1.00 17.99  ? 142 ALA B C   1 
ATOM   1186 O O   . ALA A 1 136 ? -16.278 -26.586 -21.804 1.00 21.82  ? 142 ALA B O   1 
ATOM   1187 C CB  . ALA A 1 136 ? -13.945 -24.587 -21.518 1.00 20.16  ? 142 ALA B CB  1 
ATOM   1188 N N   . GLY A 1 137 ? -16.716 -25.061 -23.407 1.00 16.07  ? 143 GLY B N   1 
ATOM   1189 C CA  . GLY A 1 137 ? -18.169 -25.249 -23.343 1.00 14.91  ? 143 GLY B CA  1 
ATOM   1190 C C   . GLY A 1 137 ? -18.750 -24.622 -22.064 1.00 14.94  ? 143 GLY B C   1 
ATOM   1191 O O   . GLY A 1 137 ? -19.536 -25.320 -21.352 1.00 15.66  ? 143 GLY B O   1 
ATOM   1192 N N   . VAL A 1 138 ? -18.367 -23.396 -21.775 1.00 14.40  ? 144 VAL B N   1 
ATOM   1193 C CA  . VAL A 1 138 ? -18.731 -22.701 -20.496 1.00 14.56  ? 144 VAL B CA  1 
ATOM   1194 C C   . VAL A 1 138 ? -19.377 -21.347 -20.807 1.00 14.52  ? 144 VAL B C   1 
ATOM   1195 O O   . VAL A 1 138 ? -18.825 -20.577 -21.637 1.00 15.44  ? 144 VAL B O   1 
ATOM   1196 C CB  . VAL A 1 138 ? -17.490 -22.531 -19.614 1.00 16.57  ? 144 VAL B CB  1 
ATOM   1197 C CG1 . VAL A 1 138 ? -17.726 -21.592 -18.432 1.00 17.60  ? 144 VAL B CG1 1 
ATOM   1198 C CG2 . VAL A 1 138 ? -16.986 -23.891 -19.158 1.00 17.58  ? 144 VAL B CG2 1 
ATOM   1199 N N   . VAL A 1 139 ? -20.474 -21.044 -20.116 1.00 13.99  ? 145 VAL B N   1 
ATOM   1200 C CA  . VAL A 1 139 ? -21.033 -19.665 -20.057 1.00 12.96  ? 145 VAL B CA  1 
ATOM   1201 C C   . VAL A 1 139 ? -21.226 -19.320 -18.577 1.00 12.98  ? 145 VAL B C   1 
ATOM   1202 O O   . VAL A 1 139 ? -22.009 -20.034 -17.931 1.00 14.20  ? 145 VAL B O   1 
ATOM   1203 C CB  . VAL A 1 139 ? -22.377 -19.569 -20.804 1.00 14.16  ? 145 VAL B CB  1 
ATOM   1204 C CG1 . VAL A 1 139 ? -22.863 -18.126 -20.828 1.00 14.67  ? 145 VAL B CG1 1 
ATOM   1205 C CG2 . VAL A 1 139 ? -22.267 -20.183 -22.199 1.00 14.75  ? 145 VAL B CG2 1 
ATOM   1206 N N   . SER A 1 140 ? -20.565 -18.280 -18.102 1.00 12.94  ? 146 SER B N   1 
ATOM   1207 C CA  . SER A 1 140 ? -20.640 -17.858 -16.683 1.00 13.98  ? 146 SER B CA  1 
ATOM   1208 C C   . SER A 1 140 ? -21.173 -16.429 -16.564 1.00 13.93  ? 146 SER B C   1 
ATOM   1209 O O   . SER A 1 140 ? -20.888 -15.581 -17.413 1.00 14.55  ? 146 SER B O   1 
ATOM   1210 C CB  . SER A 1 140 ? -19.292 -18.019 -16.017 1.00 14.60  ? 146 SER B CB  1 
ATOM   1211 O OG  . SER A 1 140 ? -18.970 -19.408 -15.916 1.00 14.19  ? 146 SER B OG  1 
ATOM   1212 N N   . PHE A 1 141 ? -21.826 -16.148 -15.441 1.00 12.94  ? 147 PHE B N   1 
ATOM   1213 C CA  . PHE A 1 141 ? -22.456 -14.848 -15.149 1.00 12.86  ? 147 PHE B CA  1 
ATOM   1214 C C   . PHE A 1 141 ? -21.911 -14.370 -13.802 1.00 13.12  ? 147 PHE B C   1 
ATOM   1215 O O   . PHE A 1 141 ? -21.935 -15.183 -12.843 1.00 13.28  ? 147 PHE B O   1 
ATOM   1216 C CB  . PHE A 1 141 ? -23.991 -14.984 -15.136 1.00 12.54  ? 147 PHE B CB  1 
ATOM   1217 C CG  . PHE A 1 141 ? -24.572 -15.378 -16.464 1.00 12.68  ? 147 PHE B CG  1 
ATOM   1218 C CD1 . PHE A 1 141 ? -24.660 -16.714 -16.827 1.00 12.55  ? 147 PHE B CD1 1 
ATOM   1219 C CD2 . PHE A 1 141 ? -25.076 -14.417 -17.322 1.00 12.61  ? 147 PHE B CD2 1 
ATOM   1220 C CE1 . PHE A 1 141 ? -25.149 -17.069 -18.082 1.00 12.67  ? 147 PHE B CE1 1 
ATOM   1221 C CE2 . PHE A 1 141 ? -25.614 -14.778 -18.550 1.00 12.21  ? 147 PHE B CE2 1 
ATOM   1222 C CZ  . PHE A 1 141 ? -25.643 -16.098 -18.930 1.00 11.92  ? 147 PHE B CZ  1 
ATOM   1223 N N   . TYR A 1 142 ? -21.539 -13.097 -13.755 1.00 15.39  ? 148 TYR B N   1 
ATOM   1224 C CA  . TYR A 1 142 ? -20.874 -12.458 -12.581 1.00 15.96  ? 148 TYR B CA  1 
ATOM   1225 C C   . TYR A 1 142 ? -21.652 -11.215 -12.143 1.00 18.32  ? 148 TYR B C   1 
ATOM   1226 O O   . TYR A 1 142 ? -22.195 -10.490 -12.970 1.00 17.26  ? 148 TYR B O   1 
ATOM   1227 C CB  . TYR A 1 142 ? -19.405 -12.170 -12.895 1.00 16.85  ? 148 TYR B CB  1 
ATOM   1228 C CG  . TYR A 1 142 ? -18.613 -13.418 -13.182 1.00 17.30  ? 148 TYR B CG  1 
ATOM   1229 C CD1 . TYR A 1 142 ? -18.113 -14.192 -12.156 1.00 17.99  ? 148 TYR B CD1 1 
ATOM   1230 C CD2 . TYR A 1 142 ? -18.455 -13.881 -14.473 1.00 17.86  ? 148 TYR B CD2 1 
ATOM   1231 C CE1 . TYR A 1 142 ? -17.458 -15.389 -12.400 1.00 18.93  ? 148 TYR B CE1 1 
ATOM   1232 C CE2 . TYR A 1 142 ? -17.777 -15.060 -14.743 1.00 18.40  ? 148 TYR B CE2 1 
ATOM   1233 C CZ  . TYR A 1 142 ? -17.240 -15.800 -13.707 1.00 19.55  ? 148 TYR B CZ  1 
ATOM   1234 O OH  . TYR A 1 142 ? -16.593 -16.980 -13.974 1.00 20.75  ? 148 TYR B OH  1 
ATOM   1235 N N   . ASN A 1 143 ? -21.715 -10.984 -10.828 1.00 17.42  ? 149 ASN B N   1 
ATOM   1236 C CA  . ASN A 1 143 ? -22.432 -9.827  -10.214 1.00 17.49  ? 149 ASN B CA  1 
ATOM   1237 C C   . ASN A 1 143 ? -21.409 -8.704  -10.007 1.00 18.79  ? 149 ASN B C   1 
ATOM   1238 O O   . ASN A 1 143 ? -20.604 -8.753  -9.028  1.00 19.49  ? 149 ASN B O   1 
ATOM   1239 C CB  . ASN A 1 143 ? -23.088 -10.247 -8.892  1.00 18.31  ? 149 ASN B CB  1 
ATOM   1240 C CG  . ASN A 1 143 ? -23.921 -9.141  -8.279  1.00 17.93  ? 149 ASN B CG  1 
ATOM   1241 O OD1 . ASN A 1 143 ? -23.711 -7.982  -8.611  1.00 18.12  ? 149 ASN B OD1 1 
ATOM   1242 N ND2 . ASN A 1 143 ? -24.806 -9.490  -7.371  1.00 19.92  ? 149 ASN B ND2 1 
ATOM   1243 N N   . ILE A 1 144 ? -21.335 -7.750  -10.938 1.00 18.32  ? 150 ILE B N   1 
ATOM   1244 C CA  . ILE A 1 144 ? -20.277 -6.709  -10.924 1.00 20.39  ? 150 ILE B CA  1 
ATOM   1245 C C   . ILE A 1 144 ? -20.526 -5.815  -9.690  1.00 21.39  ? 150 ILE B C   1 
ATOM   1246 O O   . ILE A 1 144 ? -19.543 -5.351  -9.104  1.00 23.28  ? 150 ILE B O   1 
ATOM   1247 C CB  . ILE A 1 144 ? -20.252 -5.902  -12.233 1.00 22.44  ? 150 ILE B CB  1 
ATOM   1248 C CG1 . ILE A 1 144 ? -20.081 -6.788  -13.471 1.00 22.55  ? 150 ILE B CG1 1 
ATOM   1249 C CG2 . ILE A 1 144 ? -19.181 -4.808  -12.185 1.00 23.71  ? 150 ILE B CG2 1 
ATOM   1250 C CD1 . ILE A 1 144 ? -18.975 -7.809  -13.358 1.00 27.42  ? 150 ILE B CD1 1 
ATOM   1251 N N   . THR A 1 145 ? -21.783 -5.624  -9.304  1.00 20.54  ? 151 THR B N   1 
ATOM   1252 C CA  . THR A 1 145 ? -22.152 -4.786  -8.120  1.00 23.13  ? 151 THR B CA  1 
ATOM   1253 C C   . THR A 1 145 ? -21.608 -5.413  -6.833  1.00 25.11  ? 151 THR B C   1 
ATOM   1254 O O   . THR A 1 145 ? -21.269 -4.647  -5.920  1.00 28.05  ? 151 THR B O   1 
ATOM   1255 C CB  . THR A 1 145 ? -23.669 -4.607  -8.026  1.00 22.35  ? 151 THR B CB  1 
ATOM   1256 O OG1 . THR A 1 145 ? -24.067 -4.174  -9.317  1.00 21.67  ? 151 THR B OG1 1 
ATOM   1257 C CG2 . THR A 1 145 ? -24.067 -3.590  -6.976  1.00 24.44  ? 151 THR B CG2 1 
ATOM   1258 N N   . ASP A 1 146 ? -21.501 -6.743  -6.783  1.00 26.24  ? 152 ASP B N   1 
ATOM   1259 C CA  . ASP A 1 146 ? -21.006 -7.514  -5.616  1.00 25.46  ? 152 ASP B CA  1 
ATOM   1260 C C   . ASP A 1 146 ? -19.590 -8.054  -5.872  1.00 24.66  ? 152 ASP B C   1 
ATOM   1261 O O   . ASP A 1 146 ? -19.380 -9.243  -5.680  1.00 25.66  ? 152 ASP B O   1 
ATOM   1262 C CB  . ASP A 1 146 ? -22.027 -8.573  -5.244  1.00 25.01  ? 152 ASP B CB  1 
ATOM   1263 C CG  . ASP A 1 146 ? -21.681 -9.326  -3.981  1.00 30.80  ? 152 ASP B CG  1 
ATOM   1264 O OD1 . ASP A 1 146 ? -21.273 -8.664  -2.993  1.00 27.73  ? 152 ASP B OD1 1 
ATOM   1265 O OD2 . ASP A 1 146 ? -21.827 -10.568 -4.008  1.00 28.06  ? 152 ASP B OD2 1 
ATOM   1266 N N   . HIS A 1 147 ? -18.645 -7.202  -6.271  1.00 27.07  ? 153 HIS B N   1 
ATOM   1267 C CA  . HIS A 1 147 ? -17.202 -7.549  -6.390  1.00 30.64  ? 153 HIS B CA  1 
ATOM   1268 C C   . HIS A 1 147 ? -17.011 -8.703  -7.391  1.00 31.19  ? 153 HIS B C   1 
ATOM   1269 O O   . HIS A 1 147 ? -16.025 -9.447  -7.256  1.00 28.21  ? 153 HIS B O   1 
ATOM   1270 C CB  . HIS A 1 147 ? -16.586 -7.987  -5.044  1.00 36.73  ? 153 HIS B CB  1 
ATOM   1271 C CG  . HIS A 1 147 ? -16.917 -7.161  -3.841  1.00 43.77  ? 153 HIS B CG  1 
ATOM   1272 N ND1 . HIS A 1 147 ? -16.478 -5.852  -3.686  1.00 52.15  ? 153 HIS B ND1 1 
ATOM   1273 C CD2 . HIS A 1 147 ? -17.586 -7.477  -2.707  1.00 49.55  ? 153 HIS B CD2 1 
ATOM   1274 C CE1 . HIS A 1 147 ? -16.893 -5.384  -2.521  1.00 54.64  ? 153 HIS B CE1 1 
ATOM   1275 N NE2 . HIS A 1 147 ? -17.575 -6.363  -1.900  1.00 55.24  ? 153 HIS B NE2 1 
ATOM   1276 N N   . GLY A 1 148 ? -17.901 -8.887  -8.372  1.00 25.25  ? 154 GLY B N   1 
ATOM   1277 C CA  . GLY A 1 148 ? -17.629 -9.918  -9.392  1.00 22.12  ? 154 GLY B CA  1 
ATOM   1278 C C   . GLY A 1 148 ? -18.023 -11.315 -8.940  1.00 19.41  ? 154 GLY B C   1 
ATOM   1279 O O   . GLY A 1 148 ? -17.463 -12.270 -9.470  1.00 19.15  ? 154 GLY B O   1 
ATOM   1280 N N   . SER A 1 149 ? -18.889 -11.443 -7.938  1.00 19.40  ? 155 SER B N   1 
ATOM   1281 C CA  . SER A 1 149 ? -19.266 -12.750 -7.339  1.00 18.36  ? 155 SER B CA  1 
ATOM   1282 C C   . SER A 1 149 ? -19.967 -13.615 -8.394  1.00 18.50  ? 155 SER B C   1 
ATOM   1283 O O   . SER A 1 149 ? -20.707 -13.055 -9.207  1.00 17.69  ? 155 SER B O   1 
ATOM   1284 C CB  . SER A 1 149 ? -20.092 -12.603 -6.095  1.00 20.09  ? 155 SER B CB  1 
ATOM   1285 O OG  . SER A 1 149 ? -21.299 -11.877 -6.304  1.00 20.88  ? 155 SER B OG  1 
ATOM   1286 N N   . LEU A 1 150 ? -19.723 -14.922 -8.408  1.00 17.93  ? 156 LEU B N   1 
ATOM   1287 C CA  . LEU A 1 150 ? -20.356 -15.806 -9.418  1.00 16.88  ? 156 LEU B CA  1 
ATOM   1288 C C   . LEU A 1 150 ? -21.859 -15.891 -9.174  1.00 16.38  ? 156 LEU B C   1 
ATOM   1289 O O   . LEU A 1 150 ? -22.318 -16.120 -8.014  1.00 15.88  ? 156 LEU B O   1 
ATOM   1290 C CB  . LEU A 1 150 ? -19.757 -17.208 -9.324  1.00 16.93  ? 156 LEU B CB  1 
ATOM   1291 C CG  . LEU A 1 150 ? -20.329 -18.269 -10.251 1.00 17.10  ? 156 LEU B CG  1 
ATOM   1292 C CD1 . LEU A 1 150 ? -20.006 -17.977 -11.706 1.00 16.98  ? 156 LEU B CD1 1 
ATOM   1293 C CD2 . LEU A 1 150 ? -19.785 -19.659 -9.833  1.00 17.63  ? 156 LEU B CD2 1 
ATOM   1294 N N   . ILE A 1 151 ? -22.631 -15.745 -10.235 1.00 13.44  ? 157 ILE B N   1 
ATOM   1295 C CA  . ILE A 1 151 ? -24.093 -15.949 -10.239 1.00 14.81  ? 157 ILE B CA  1 
ATOM   1296 C C   . ILE A 1 151 ? -24.408 -17.372 -10.706 1.00 14.50  ? 157 ILE B C   1 
ATOM   1297 O O   . ILE A 1 151 ? -25.218 -18.075 -10.060 1.00 13.66  ? 157 ILE B O   1 
ATOM   1298 C CB  . ILE A 1 151 ? -24.805 -14.889 -11.101 1.00 15.26  ? 157 ILE B CB  1 
ATOM   1299 C CG1 . ILE A 1 151 ? -24.644 -13.488 -10.518 1.00 15.01  ? 157 ILE B CG1 1 
ATOM   1300 C CG2 . ILE A 1 151 ? -26.274 -15.220 -11.282 1.00 15.75  ? 157 ILE B CG2 1 
ATOM   1301 C CD1 . ILE A 1 151 ? -25.090 -12.397 -11.490 1.00 15.47  ? 157 ILE B CD1 1 
ATOM   1302 N N   . TYR A 1 152 ? -23.901 -17.765 -11.874 1.00 13.81  ? 158 TYR B N   1 
ATOM   1303 C CA  . TYR A 1 152 ? -24.268 -19.077 -12.458 1.00 12.43  ? 158 TYR B CA  1 
ATOM   1304 C C   . TYR A 1 152 ? -23.220 -19.472 -13.498 1.00 12.53  ? 158 TYR B C   1 
ATOM   1305 O O   . TYR A 1 152 ? -22.756 -18.582 -14.229 1.00 13.02  ? 158 TYR B O   1 
ATOM   1306 C CB  . TYR A 1 152 ? -25.661 -19.020 -13.118 1.00 13.58  ? 158 TYR B CB  1 
ATOM   1307 C CG  . TYR A 1 152 ? -26.190 -20.372 -13.482 1.00 13.22  ? 158 TYR B CG  1 
ATOM   1308 C CD1 . TYR A 1 152 ? -26.801 -21.178 -12.541 1.00 14.49  ? 158 TYR B CD1 1 
ATOM   1309 C CD2 . TYR A 1 152 ? -26.051 -20.890 -14.763 1.00 13.19  ? 158 TYR B CD2 1 
ATOM   1310 C CE1 . TYR A 1 152 ? -27.241 -22.452 -12.853 1.00 14.36  ? 158 TYR B CE1 1 
ATOM   1311 C CE2 . TYR A 1 152 ? -26.531 -22.148 -15.099 1.00 13.52  ? 158 TYR B CE2 1 
ATOM   1312 C CZ  . TYR A 1 152 ? -27.104 -22.946 -14.142 1.00 13.71  ? 158 TYR B CZ  1 
ATOM   1313 O OH  . TYR A 1 152 ? -27.528 -24.215 -14.405 1.00 16.17  ? 158 TYR B OH  1 
ATOM   1314 N N   . THR A 1 153 ? -22.988 -20.776 -13.624 1.00 14.19  ? 159 THR B N   1 
ATOM   1315 C CA  . THR A 1 153 ? -22.131 -21.399 -14.669 1.00 13.74  ? 159 THR B CA  1 
ATOM   1316 C C   . THR A 1 153 ? -22.905 -22.517 -15.360 1.00 14.21  ? 159 THR B C   1 
ATOM   1317 O O   . THR A 1 153 ? -23.308 -23.478 -14.708 1.00 14.57  ? 159 THR B O   1 
ATOM   1318 C CB  . THR A 1 153 ? -20.814 -21.949 -14.085 1.00 15.04  ? 159 THR B CB  1 
ATOM   1319 O OG1 . THR A 1 153 ? -20.009 -20.831 -13.750 1.00 14.46  ? 159 THR B OG1 1 
ATOM   1320 C CG2 . THR A 1 153 ? -20.046 -22.792 -15.080 1.00 16.40  ? 159 THR B CG2 1 
ATOM   1321 N N   . PHE A 1 154 ? -23.113 -22.371 -16.669 1.00 13.93  ? 160 PHE B N   1 
ATOM   1322 C CA  . PHE A 1 154 ? -23.519 -23.465 -17.582 1.00 14.06  ? 160 PHE B CA  1 
ATOM   1323 C C   . PHE A 1 154 ? -22.233 -24.163 -18.032 1.00 15.37  ? 160 PHE B C   1 
ATOM   1324 O O   . PHE A 1 154 ? -21.349 -23.501 -18.558 1.00 14.08  ? 160 PHE B O   1 
ATOM   1325 C CB  . PHE A 1 154 ? -24.201 -22.936 -18.840 1.00 15.20  ? 160 PHE B CB  1 
ATOM   1326 C CG  . PHE A 1 154 ? -25.574 -22.350 -18.672 1.00 13.11  ? 160 PHE B CG  1 
ATOM   1327 C CD1 . PHE A 1 154 ? -25.702 -20.989 -18.411 1.00 12.37  ? 160 PHE B CD1 1 
ATOM   1328 C CD2 . PHE A 1 154 ? -26.708 -23.117 -18.858 1.00 13.59  ? 160 PHE B CD2 1 
ATOM   1329 C CE1 . PHE A 1 154 ? -26.969 -20.435 -18.310 1.00 12.83  ? 160 PHE B CE1 1 
ATOM   1330 C CE2 . PHE A 1 154 ? -27.977 -22.552 -18.758 1.00 13.64  ? 160 PHE B CE2 1 
ATOM   1331 C CZ  . PHE A 1 154 ? -28.095 -21.205 -18.483 1.00 11.87  ? 160 PHE B CZ  1 
ATOM   1332 N N   . SER A 1 155 ? -22.122 -25.463 -17.782 1.00 16.48  ? 161 SER B N   1 
ATOM   1333 C CA  . SER A 1 155 ? -20.923 -26.212 -18.228 1.00 18.16  ? 161 SER B CA  1 
ATOM   1334 C C   . SER A 1 155 ? -21.352 -27.376 -19.139 1.00 18.19  ? 161 SER B C   1 
ATOM   1335 O O   . SER A 1 155 ? -22.565 -27.662 -19.247 1.00 17.46  ? 161 SER B O   1 
ATOM   1336 C CB  . SER A 1 155 ? -20.143 -26.647 -16.997 1.00 20.87  ? 161 SER B CB  1 
ATOM   1337 O OG  . SER A 1 155 ? -20.836 -27.677 -16.332 1.00 23.91  ? 161 SER B OG  1 
ATOM   1338 N N   . GLU A 1 156 ? -20.391 -27.961 -19.865 1.00 20.03  ? 162 GLU B N   1 
ATOM   1339 C CA  . GLU A 1 156 ? -20.666 -29.031 -20.862 1.00 22.62  ? 162 GLU B CA  1 
ATOM   1340 C C   . GLU A 1 156 ? -21.675 -28.506 -21.894 1.00 21.11  ? 162 GLU B C   1 
ATOM   1341 O O   . GLU A 1 156 ? -22.586 -29.274 -22.300 1.00 20.69  ? 162 GLU B O   1 
ATOM   1342 C CB  . GLU A 1 156 ? -21.272 -30.277 -20.218 1.00 28.23  ? 162 GLU B CB  1 
ATOM   1343 C CG  . GLU A 1 156 ? -20.495 -30.816 -19.045 1.00 35.53  ? 162 GLU B CG  1 
ATOM   1344 C CD  . GLU A 1 156 ? -21.101 -32.095 -18.486 1.00 46.38  ? 162 GLU B CD  1 
ATOM   1345 O OE1 . GLU A 1 156 ? -22.299 -32.074 -18.086 1.00 48.84  ? 162 GLU B OE1 1 
ATOM   1346 O OE2 . GLU A 1 156 ? -20.384 -33.117 -18.467 1.00 56.67  ? 162 GLU B OE2 1 
ATOM   1347 N N   . CYS A 1 157 ? -21.587 -27.227 -22.254 1.00 19.17  ? 163 CYS B N   1 
ATOM   1348 C CA  . CYS A 1 157 ? -22.526 -26.619 -23.224 1.00 17.61  ? 163 CYS B CA  1 
ATOM   1349 C C   . CYS A 1 157 ? -22.290 -27.248 -24.601 1.00 19.64  ? 163 CYS B C   1 
ATOM   1350 O O   . CYS A 1 157 ? -21.091 -27.359 -25.011 1.00 20.45  ? 163 CYS B O   1 
ATOM   1351 C CB  . CYS A 1 157 ? -22.346 -25.115 -23.357 1.00 17.54  ? 163 CYS B CB  1 
ATOM   1352 S SG  . CYS A 1 157 ? -22.714 -24.204 -21.825 1.00 17.19  ? 163 CYS B SG  1 
ATOM   1353 N N   . VAL A 1 158 ? -23.368 -27.492 -25.337 1.00 18.17  ? 164 VAL B N   1 
ATOM   1354 C CA  . VAL A 1 158 ? -23.276 -27.986 -26.735 1.00 20.22  ? 164 VAL B CA  1 
ATOM   1355 C C   . VAL A 1 158 ? -23.701 -26.845 -27.646 1.00 17.39  ? 164 VAL B C   1 
ATOM   1356 O O   . VAL A 1 158 ? -24.897 -26.724 -28.025 1.00 21.57  ? 164 VAL B O   1 
ATOM   1357 C CB  . VAL A 1 158 ? -24.070 -29.291 -26.942 1.00 22.79  ? 164 VAL B CB  1 
ATOM   1358 C CG1 . VAL A 1 158 ? -23.935 -29.757 -28.387 1.00 23.67  ? 164 VAL B CG1 1 
ATOM   1359 C CG2 . VAL A 1 158 ? -23.613 -30.356 -25.971 1.00 25.44  ? 164 VAL B CG2 1 
ATOM   1360 N N   . PHE A 1 159 ? -22.765 -25.949 -27.947 1.00 16.18  ? 165 PHE B N   1 
ATOM   1361 C CA  . PHE A 1 159 ? -23.068 -24.708 -28.681 1.00 15.67  ? 165 PHE B CA  1 
ATOM   1362 C C   . PHE A 1 159 ? -23.588 -25.049 -30.078 1.00 19.21  ? 165 PHE B C   1 
ATOM   1363 O O   . PHE A 1 159 ? -24.602 -24.480 -30.500 1.00 18.80  ? 165 PHE B O   1 
ATOM   1364 C CB  . PHE A 1 159 ? -21.881 -23.769 -28.711 1.00 16.61  ? 165 PHE B CB  1 
ATOM   1365 C CG  . PHE A 1 159 ? -21.455 -23.260 -27.353 1.00 16.24  ? 165 PHE B CG  1 
ATOM   1366 C CD1 . PHE A 1 159 ? -22.387 -22.777 -26.443 1.00 16.86  ? 165 PHE B CD1 1 
ATOM   1367 C CD2 . PHE A 1 159 ? -20.120 -23.274 -26.984 1.00 16.26  ? 165 PHE B CD2 1 
ATOM   1368 C CE1 . PHE A 1 159 ? -21.982 -22.311 -25.192 1.00 15.09  ? 165 PHE B CE1 1 
ATOM   1369 C CE2 . PHE A 1 159 ? -19.721 -22.785 -25.745 1.00 16.80  ? 165 PHE B CE2 1 
ATOM   1370 C CZ  . PHE A 1 159 ? -20.656 -22.330 -24.857 1.00 14.75  ? 165 PHE B CZ  1 
ATOM   1371 N N   . ALA A 1 160 ? -22.931 -25.978 -30.756 1.00 17.91  ? 166 ALA B N   1 
ATOM   1372 C CA  . ALA A 1 160 ? -23.418 -26.539 -32.043 1.00 18.89  ? 166 ALA B CA  1 
ATOM   1373 C C   . ALA A 1 160 ? -23.514 -25.495 -33.155 1.00 18.60  ? 166 ALA B C   1 
ATOM   1374 O O   . ALA A 1 160 ? -24.292 -25.726 -34.121 1.00 19.97  ? 166 ALA B O   1 
ATOM   1375 C CB  . ALA A 1 160 ? -24.705 -27.261 -31.834 1.00 18.03  ? 166 ALA B CB  1 
ATOM   1376 N N   . GLY A 1 161 ? -22.736 -24.422 -33.058 1.00 19.61  ? 167 GLY B N   1 
ATOM   1377 C CA  . GLY A 1 161 ? -22.621 -23.369 -34.073 1.00 19.06  ? 167 GLY B CA  1 
ATOM   1378 C C   . GLY A 1 161 ? -22.039 -22.087 -33.519 1.00 17.84  ? 167 GLY B C   1 
ATOM   1379 O O   . GLY A 1 161 ? -21.670 -22.034 -32.334 1.00 17.25  ? 167 GLY B O   1 
ATOM   1380 N N   . PRO A 1 162 ? -21.959 -21.043 -34.357 1.00 16.86  ? 168 PRO B N   1 
ATOM   1381 C CA  . PRO A 1 162 ? -21.519 -19.723 -33.927 1.00 16.12  ? 168 PRO B CA  1 
ATOM   1382 C C   . PRO A 1 162 ? -22.503 -19.197 -32.869 1.00 15.82  ? 168 PRO B C   1 
ATOM   1383 O O   . PRO A 1 162 ? -23.712 -19.479 -32.929 1.00 15.52  ? 168 PRO B O   1 
ATOM   1384 C CB  . PRO A 1 162 ? -21.520 -18.852 -35.176 1.00 17.02  ? 168 PRO B CB  1 
ATOM   1385 C CG  . PRO A 1 162 ? -21.637 -19.843 -36.317 1.00 16.89  ? 168 PRO B CG  1 
ATOM   1386 C CD  . PRO A 1 162 ? -22.344 -21.054 -35.781 1.00 16.61  ? 168 PRO B CD  1 
ATOM   1387 N N   . LEU A 1 163 ? -21.956 -18.441 -31.917 1.00 15.78  ? 169 LEU B N   1 
ATOM   1388 C CA  . LEU A 1 163 ? -22.737 -17.803 -30.813 1.00 14.59  ? 169 LEU B CA  1 
ATOM   1389 C C   . LEU A 1 163 ? -22.848 -16.298 -31.061 1.00 14.47  ? 169 LEU B C   1 
ATOM   1390 O O   . LEU A 1 163 ? -21.899 -15.644 -31.569 1.00 15.50  ? 169 LEU B O   1 
ATOM   1391 C CB  . LEU A 1 163 ? -22.024 -18.054 -29.492 1.00 14.30  ? 169 LEU B CB  1 
ATOM   1392 C CG  . LEU A 1 163 ? -22.016 -19.487 -28.958 1.00 13.93  ? 169 LEU B CG  1 
ATOM   1393 C CD1 . LEU A 1 163 ? -21.233 -19.518 -27.671 1.00 15.57  ? 169 LEU B CD1 1 
ATOM   1394 C CD2 . LEU A 1 163 ? -23.415 -20.009 -28.735 1.00 15.04  ? 169 LEU B CD2 1 
ATOM   1395 N N   . ARG A 1 164 ? -23.971 -15.721 -30.624 1.00 13.76  ? 170 ARG B N   1 
ATOM   1396 C CA  . ARG A 1 164 ? -24.205 -14.269 -30.612 1.00 14.58  ? 170 ARG B CA  1 
ATOM   1397 C C   . ARG A 1 164 ? -24.608 -13.834 -29.205 1.00 13.49  ? 170 ARG B C   1 
ATOM   1398 O O   . ARG A 1 164 ? -25.359 -14.533 -28.517 1.00 14.79  ? 170 ARG B O   1 
ATOM   1399 C CB  . ARG A 1 164 ? -25.289 -13.927 -31.643 1.00 15.43  ? 170 ARG B CB  1 
ATOM   1400 C CG  . ARG A 1 164 ? -24.784 -14.333 -33.025 1.00 18.65  ? 170 ARG B CG  1 
ATOM   1401 C CD  . ARG A 1 164 ? -25.653 -13.927 -34.155 1.00 22.04  ? 170 ARG B CD  1 
ATOM   1402 N NE  . ARG A 1 164 ? -25.704 -12.485 -34.240 1.00 19.95  ? 170 ARG B NE  1 
ATOM   1403 C CZ  . ARG A 1 164 ? -26.410 -11.849 -35.161 1.00 21.68  ? 170 ARG B CZ  1 
ATOM   1404 N NH1 . ARG A 1 164 ? -27.031 -12.549 -36.088 1.00 21.49  ? 170 ARG B NH1 1 
ATOM   1405 N NH2 . ARG A 1 164 ? -26.470 -10.528 -35.166 1.00 19.68  ? 170 ARG B NH2 1 
ATOM   1406 N N   . PRO A 1 165 ? -24.178 -12.634 -28.785 1.00 13.89  ? 171 PRO B N   1 
ATOM   1407 C CA  . PRO A 1 165 ? -24.690 -12.051 -27.533 1.00 13.84  ? 171 PRO B CA  1 
ATOM   1408 C C   . PRO A 1 165 ? -26.219 -11.938 -27.668 1.00 14.02  ? 171 PRO B C   1 
ATOM   1409 O O   . PRO A 1 165 ? -26.716 -11.620 -28.756 1.00 13.22  ? 171 PRO B O   1 
ATOM   1410 C CB  . PRO A 1 165 ? -24.006 -10.687 -27.448 1.00 13.93  ? 171 PRO B CB  1 
ATOM   1411 C CG  . PRO A 1 165 ? -22.744 -10.864 -28.293 1.00 14.61  ? 171 PRO B CG  1 
ATOM   1412 C CD  . PRO A 1 165 ? -23.187 -11.755 -29.431 1.00 14.99  ? 171 PRO B CD  1 
ATOM   1413 N N   . PHE A 1 166 ? -26.944 -12.208 -26.590 1.00 11.98  ? 172 PHE B N   1 
ATOM   1414 C CA  . PHE A 1 166 ? -28.427 -12.228 -26.561 1.00 13.32  ? 172 PHE B CA  1 
ATOM   1415 C C   . PHE A 1 166 ? -28.943 -11.271 -25.468 1.00 12.92  ? 172 PHE B C   1 
ATOM   1416 O O   . PHE A 1 166 ? -28.417 -11.259 -24.342 1.00 12.15  ? 172 PHE B O   1 
ATOM   1417 C CB  . PHE A 1 166 ? -28.909 -13.652 -26.312 1.00 13.37  ? 172 PHE B CB  1 
ATOM   1418 C CG  . PHE A 1 166 ? -30.401 -13.758 -26.130 1.00 13.78  ? 172 PHE B CG  1 
ATOM   1419 C CD1 . PHE A 1 166 ? -31.247 -13.694 -27.238 1.00 14.58  ? 172 PHE B CD1 1 
ATOM   1420 C CD2 . PHE A 1 166 ? -30.951 -13.773 -24.864 1.00 14.19  ? 172 PHE B CD2 1 
ATOM   1421 C CE1 . PHE A 1 166 ? -32.623 -13.770 -27.068 1.00 14.92  ? 172 PHE B CE1 1 
ATOM   1422 C CE2 . PHE A 1 166 ? -32.329 -13.874 -24.706 1.00 13.68  ? 172 PHE B CE2 1 
ATOM   1423 C CZ  . PHE A 1 166 ? -33.150 -13.843 -25.804 1.00 13.86  ? 172 PHE B CZ  1 
ATOM   1424 N N   . PHE A 1 167 ? -30.007 -10.525 -25.785 1.00 12.52  ? 173 PHE B N   1 
ATOM   1425 C CA  . PHE A 1 167 ? -30.604 -9.498  -24.908 1.00 13.08  ? 173 PHE B CA  1 
ATOM   1426 C C   . PHE A 1 167 ? -32.141 -9.546  -25.008 1.00 14.18  ? 173 PHE B C   1 
ATOM   1427 O O   . PHE A 1 167 ? -32.692 -9.704  -26.130 1.00 14.24  ? 173 PHE B O   1 
ATOM   1428 C CB  . PHE A 1 167 ? -30.152 -8.085  -25.325 1.00 12.80  ? 173 PHE B CB  1 
ATOM   1429 C CG  . PHE A 1 167 ? -28.650 -7.927  -25.435 1.00 13.59  ? 173 PHE B CG  1 
ATOM   1430 C CD1 . PHE A 1 167 ? -28.009 -8.284  -26.603 1.00 13.02  ? 173 PHE B CD1 1 
ATOM   1431 C CD2 . PHE A 1 167 ? -27.891 -7.494  -24.355 1.00 13.74  ? 173 PHE B CD2 1 
ATOM   1432 C CE1 . PHE A 1 167 ? -26.626 -8.181  -26.726 1.00 14.21  ? 173 PHE B CE1 1 
ATOM   1433 C CE2 . PHE A 1 167 ? -26.514 -7.370  -24.477 1.00 14.41  ? 173 PHE B CE2 1 
ATOM   1434 C CZ  . PHE A 1 167 ? -25.892 -7.707  -25.666 1.00 13.56  ? 173 PHE B CZ  1 
ATOM   1435 N N   . ASN A 1 168 ? -32.816 -9.357  -23.880 1.00 12.76  ? 174 ASN B N   1 
ATOM   1436 C CA  . ASN A 1 168 ? -34.274 -9.107  -23.858 1.00 13.34  ? 174 ASN B CA  1 
ATOM   1437 C C   . ASN A 1 168 ? -34.517 -7.960  -22.883 1.00 13.24  ? 174 ASN B C   1 
ATOM   1438 O O   . ASN A 1 168 ? -34.172 -8.120  -21.702 1.00 13.38  ? 174 ASN B O   1 
ATOM   1439 C CB  . ASN A 1 168 ? -35.033 -10.363 -23.440 1.00 13.96  ? 174 ASN B CB  1 
ATOM   1440 C CG  . ASN A 1 168 ? -36.536 -10.210 -23.543 1.00 14.54  ? 174 ASN B CG  1 
ATOM   1441 O OD1 . ASN A 1 168 ? -37.041 -9.137  -23.813 1.00 15.26  ? 174 ASN B OD1 1 
ATOM   1442 N ND2 . ASN A 1 168 ? -37.255 -11.310 -23.392 1.00 15.01  ? 174 ASN B ND2 1 
ATOM   1443 N N   . VAL A 1 169 ? -35.031 -6.814  -23.365 1.00 13.04  ? 175 VAL B N   1 
ATOM   1444 C CA  . VAL A 1 169 ? -35.282 -5.655  -22.469 1.00 12.90  ? 175 VAL B CA  1 
ATOM   1445 C C   . VAL A 1 169 ? -36.547 -5.892  -21.619 1.00 14.54  ? 175 VAL B C   1 
ATOM   1446 O O   . VAL A 1 169 ? -36.778 -5.112  -20.678 1.00 15.19  ? 175 VAL B O   1 
ATOM   1447 C CB  . VAL A 1 169 ? -35.371 -4.330  -23.246 1.00 14.83  ? 175 VAL B CB  1 
ATOM   1448 C CG1 . VAL A 1 169 ? -34.091 -4.065  -24.014 1.00 15.63  ? 175 VAL B CG1 1 
ATOM   1449 C CG2 . VAL A 1 169 ? -36.564 -4.314  -24.193 1.00 14.69  ? 175 VAL B CG2 1 
ATOM   1450 N N   . GLY A 1 170 ? -37.346 -6.900  -21.986 1.00 15.15  ? 176 GLY B N   1 
ATOM   1451 C CA  . GLY A 1 170 ? -38.621 -7.221  -21.307 1.00 15.07  ? 176 GLY B CA  1 
ATOM   1452 C C   . GLY A 1 170 ? -39.732 -6.267  -21.677 1.00 14.52  ? 176 GLY B C   1 
ATOM   1453 O O   . GLY A 1 170 ? -39.490 -5.191  -22.242 1.00 15.50  ? 176 GLY B O   1 
ATOM   1454 N N   . PHE A 1 171 ? -40.956 -6.685  -21.413 1.00 15.23  ? 177 PHE B N   1 
ATOM   1455 C CA  . PHE A 1 171 ? -42.171 -5.877  -21.621 1.00 16.40  ? 177 PHE B CA  1 
ATOM   1456 C C   . PHE A 1 171 ? -42.202 -4.775  -20.560 1.00 16.41  ? 177 PHE B C   1 
ATOM   1457 O O   . PHE A 1 171 ? -41.406 -4.777  -19.587 1.00 14.91  ? 177 PHE B O   1 
ATOM   1458 C CB  . PHE A 1 171 ? -43.418 -6.774  -21.627 1.00 17.54  ? 177 PHE B CB  1 
ATOM   1459 C CG  . PHE A 1 171 ? -43.549 -7.664  -22.827 1.00 17.88  ? 177 PHE B CG  1 
ATOM   1460 C CD1 . PHE A 1 171 ? -43.952 -7.146  -24.043 1.00 18.80  ? 177 PHE B CD1 1 
ATOM   1461 C CD2 . PHE A 1 171 ? -43.280 -9.015  -22.745 1.00 18.46  ? 177 PHE B CD2 1 
ATOM   1462 C CE1 . PHE A 1 171 ? -44.083 -7.968  -25.159 1.00 20.12  ? 177 PHE B CE1 1 
ATOM   1463 C CE2 . PHE A 1 171 ? -43.440 -9.830  -23.852 1.00 18.54  ? 177 PHE B CE2 1 
ATOM   1464 C CZ  . PHE A 1 171 ? -43.814 -9.302  -25.052 1.00 18.57  ? 177 PHE B CZ  1 
ATOM   1465 N N   . ASN A 1 172 ? -43.103 -3.826  -20.749 1.00 15.62  ? 178 ASN B N   1 
ATOM   1466 C CA  . ASN A 1 172 ? -43.262 -2.698  -19.807 1.00 14.96  ? 178 ASN B CA  1 
ATOM   1467 C C   . ASN A 1 172 ? -44.766 -2.472  -19.591 1.00 16.07  ? 178 ASN B C   1 
ATOM   1468 O O   . ASN A 1 172 ? -45.266 -1.319  -19.776 1.00 18.34  ? 178 ASN B O   1 
ATOM   1469 C CB  . ASN A 1 172 ? -42.590 -1.432  -20.338 1.00 16.12  ? 178 ASN B CB  1 
ATOM   1470 C CG  . ASN A 1 172 ? -42.598 -0.317  -19.325 1.00 16.43  ? 178 ASN B CG  1 
ATOM   1471 O OD1 . ASN A 1 172 ? -42.621 -0.563  -18.130 1.00 17.20  ? 178 ASN B OD1 1 
ATOM   1472 N ND2 . ASN A 1 172 ? -42.610 0.922   -19.800 1.00 19.29  ? 178 ASN B ND2 1 
ATOM   1473 N N   . TYR A 1 173 ? -45.480 -3.511  -19.187 1.00 17.20  ? 179 TYR B N   1 
ATOM   1474 C CA  . TYR A 1 173 ? -46.933 -3.390  -18.868 1.00 16.54  ? 179 TYR B CA  1 
ATOM   1475 C C   . TYR A 1 173 ? -47.097 -2.511  -17.630 1.00 18.84  ? 179 TYR B C   1 
ATOM   1476 O O   . TYR A 1 173 ? -48.168 -1.868  -17.455 1.00 19.71  ? 179 TYR B O   1 
ATOM   1477 C CB  . TYR A 1 173 ? -47.537 -4.775  -18.619 1.00 16.80  ? 179 TYR B CB  1 
ATOM   1478 C CG  . TYR A 1 173 ? -47.637 -5.630  -19.849 1.00 18.98  ? 179 TYR B CG  1 
ATOM   1479 C CD1 . TYR A 1 173 ? -48.620 -5.409  -20.799 1.00 22.07  ? 179 TYR B CD1 1 
ATOM   1480 C CD2 . TYR A 1 173 ? -46.762 -6.683  -20.040 1.00 20.81  ? 179 TYR B CD2 1 
ATOM   1481 C CE1 . TYR A 1 173 ? -48.696 -6.180  -21.947 1.00 23.15  ? 179 TYR B CE1 1 
ATOM   1482 C CE2 . TYR A 1 173 ? -46.833 -7.471  -21.177 1.00 23.37  ? 179 TYR B CE2 1 
ATOM   1483 C CZ  . TYR A 1 173 ? -47.797 -7.210  -22.136 1.00 23.64  ? 179 TYR B CZ  1 
ATOM   1484 O OH  . TYR A 1 173 ? -47.883 -8.005  -23.251 1.00 29.70  ? 179 TYR B OH  1 
ATOM   1485 N N   . SER A 1 174 ? -46.129 -2.562  -16.714 1.00 17.86  ? 180 SER B N   1 
ATOM   1486 C CA  . SER A 1 174 ? -46.226 -1.956  -15.356 1.00 18.86  ? 180 SER B CA  1 
ATOM   1487 C C   . SER A 1 174 ? -45.878 -0.461  -15.391 1.00 18.91  ? 180 SER B C   1 
ATOM   1488 O O   . SER A 1 174 ? -46.121 0.187   -14.368 1.00 19.73  ? 180 SER B O   1 
ATOM   1489 C CB  . SER A 1 174 ? -45.304 -2.629  -14.358 1.00 20.37  ? 180 SER B CB  1 
ATOM   1490 O OG  . SER A 1 174 ? -43.938 -2.444  -14.750 1.00 20.45  ? 180 SER B OG  1 
ATOM   1491 N N   . GLY A 1 175 ? -45.182 0.014   -16.423 1.00 18.45  ? 181 GLY B N   1 
ATOM   1492 C CA  . GLY A 1 175 ? -44.602 1.369   -16.407 1.00 18.07  ? 181 GLY B CA  1 
ATOM   1493 C C   . GLY A 1 175 ? -43.338 1.476   -15.569 1.00 20.33  ? 181 GLY B C   1 
ATOM   1494 O O   . GLY A 1 175 ? -42.752 2.595   -15.548 1.00 22.18  ? 181 GLY B O   1 
ATOM   1495 N N   . GLY A 1 176 ? -42.868 0.367   -14.965 1.00 18.57  ? 182 GLY B N   1 
ATOM   1496 C CA  . GLY A 1 176 ? -41.639 0.336   -14.162 1.00 18.22  ? 182 GLY B CA  1 
ATOM   1497 C C   . GLY A 1 176 ? -40.436 -0.290  -14.880 1.00 17.76  ? 182 GLY B C   1 
ATOM   1498 O O   . GLY A 1 176 ? -39.377 -0.382  -14.220 1.00 18.73  ? 182 GLY B O   1 
ATOM   1499 N N   . ASN A 1 177 ? -40.567 -0.679  -16.145 1.00 15.04  ? 183 ASN B N   1 
ATOM   1500 C CA  . ASN A 1 177 ? -39.481 -1.385  -16.855 1.00 15.70  ? 183 ASN B CA  1 
ATOM   1501 C C   . ASN A 1 177 ? -39.065 -0.681  -18.155 1.00 16.52  ? 183 ASN B C   1 
ATOM   1502 O O   . ASN A 1 177 ? -38.572 -1.360  -19.046 1.00 15.79  ? 183 ASN B O   1 
ATOM   1503 C CB  . ASN A 1 177 ? -39.869 -2.843  -17.116 1.00 15.81  ? 183 ASN B CB  1 
ATOM   1504 C CG  . ASN A 1 177 ? -38.661 -3.701  -17.435 1.00 16.03  ? 183 ASN B CG  1 
ATOM   1505 O OD1 . ASN A 1 177 ? -37.603 -3.516  -16.837 1.00 15.97  ? 183 ASN B OD1 1 
ATOM   1506 N ND2 . ASN A 1 177 ? -38.815 -4.600  -18.388 1.00 14.83  ? 183 ASN B ND2 1 
ATOM   1507 N N   . ALA A 1 178 ? -39.136 0.642   -18.223 1.00 16.71  ? 184 ALA B N   1 
ATOM   1508 C CA  . ALA A 1 178 ? -38.786 1.382   -19.451 1.00 16.80  ? 184 ALA B CA  1 
ATOM   1509 C C   . ALA A 1 178 ? -37.265 1.492   -19.611 1.00 16.08  ? 184 ALA B C   1 
ATOM   1510 O O   . ALA A 1 178 ? -36.825 1.730   -20.769 1.00 17.37  ? 184 ALA B O   1 
ATOM   1511 C CB  . ALA A 1 178 ? -39.434 2.762   -19.410 1.00 17.22  ? 184 ALA B CB  1 
ATOM   1512 N N   . ALA A 1 179 ? -36.495 1.336   -18.530 1.00 16.07  ? 185 ALA B N   1 
ATOM   1513 C CA  . ALA A 1 179 ? -35.042 1.648   -18.584 1.00 16.69  ? 185 ALA B CA  1 
ATOM   1514 C C   . ALA A 1 179 ? -34.345 0.764   -19.619 1.00 17.46  ? 185 ALA B C   1 
ATOM   1515 O O   . ALA A 1 179 ? -34.747 -0.386  -19.859 1.00 15.91  ? 185 ALA B O   1 
ATOM   1516 C CB  . ALA A 1 179 ? -34.399 1.541   -17.249 1.00 16.17  ? 185 ALA B CB  1 
ATOM   1517 N N   . PRO A 1 180 ? -33.257 1.279   -20.252 1.00 16.26  ? 186 PRO B N   1 
ATOM   1518 C CA  . PRO A 1 180 ? -32.503 0.513   -21.250 1.00 16.06  ? 186 PRO B CA  1 
ATOM   1519 C C   . PRO A 1 180 ? -31.597 -0.581  -20.662 1.00 15.89  ? 186 PRO B C   1 
ATOM   1520 O O   . PRO A 1 180 ? -31.311 -0.557  -19.470 1.00 15.99  ? 186 PRO B O   1 
ATOM   1521 C CB  . PRO A 1 180 ? -31.625 1.588   -21.914 1.00 17.61  ? 186 PRO B CB  1 
ATOM   1522 C CG  . PRO A 1 180 ? -31.373 2.592   -20.807 1.00 17.01  ? 186 PRO B CG  1 
ATOM   1523 C CD  . PRO A 1 180 ? -32.672 2.614   -20.018 1.00 18.43  ? 186 PRO B CD  1 
ATOM   1524 N N   . LEU A 1 181 ? -31.230 -1.563  -21.495 1.00 14.58  ? 187 LEU B N   1 
ATOM   1525 C CA  . LEU A 1 181 ? -29.998 -2.348  -21.300 1.00 14.56  ? 187 LEU B CA  1 
ATOM   1526 C C   . LEU A 1 181 ? -28.873 -1.516  -21.923 1.00 15.48  ? 187 LEU B C   1 
ATOM   1527 O O   . LEU A 1 181 ? -29.049 -0.996  -23.054 1.00 16.12  ? 187 LEU B O   1 
ATOM   1528 C CB  . LEU A 1 181 ? -30.159 -3.730  -21.937 1.00 15.09  ? 187 LEU B CB  1 
ATOM   1529 C CG  . LEU A 1 181 ? -31.182 -4.666  -21.289 1.00 15.72  ? 187 LEU B CG  1 
ATOM   1530 C CD1 . LEU A 1 181 ? -31.324 -5.967  -22.059 1.00 17.29  ? 187 LEU B CD1 1 
ATOM   1531 C CD2 . LEU A 1 181 ? -30.788 -5.006  -19.876 1.00 16.61  ? 187 LEU B CD2 1 
ATOM   1532 N N   . LYS A 1 182 ? -27.721 -1.460  -21.282 1.00 15.29  ? 188 LYS B N   1 
ATOM   1533 C CA  . LYS A 1 182 ? -26.575 -0.716  -21.846 1.00 16.53  ? 188 LYS B CA  1 
ATOM   1534 C C   . LYS A 1 182 ? -25.322 -1.557  -21.781 1.00 16.37  ? 188 LYS B C   1 
ATOM   1535 O O   . LYS A 1 182 ? -25.036 -2.082  -20.719 1.00 16.18  ? 188 LYS B O   1 
ATOM   1536 C CB  . LYS A 1 182 ? -26.283 0.552   -21.046 1.00 19.09  ? 188 LYS B CB  1 
ATOM   1537 C CG  . LYS A 1 182 ? -27.422 1.528   -20.899 1.00 22.89  ? 188 LYS B CG  1 
ATOM   1538 C CD  . LYS A 1 182 ? -26.962 2.787   -20.179 1.00 27.41  ? 188 LYS B CD  1 
ATOM   1539 C CE  . LYS A 1 182 ? -28.095 3.720   -19.838 1.00 33.42  ? 188 LYS B CE  1 
ATOM   1540 N NZ  . LYS A 1 182 ? -27.610 4.846   -19.006 1.00 36.90  ? 188 LYS B NZ  1 
ATOM   1541 N N   . LEU A 1 183 ? -24.593 -1.652  -22.870 1.00 16.68  ? 189 LEU B N   1 
ATOM   1542 C CA  . LEU A 1 183 ? -23.257 -2.303  -22.840 1.00 17.98  ? 189 LEU B CA  1 
ATOM   1543 C C   . LEU A 1 183 ? -22.282 -1.340  -22.144 1.00 19.03  ? 189 LEU B C   1 
ATOM   1544 O O   . LEU A 1 183 ? -22.161 -0.186  -22.588 1.00 21.56  ? 189 LEU B O   1 
ATOM   1545 C CB  . LEU A 1 183 ? -22.887 -2.669  -24.275 1.00 18.91  ? 189 LEU B CB  1 
ATOM   1546 C CG  . LEU A 1 183 ? -23.654 -3.917  -24.718 1.00 19.40  ? 189 LEU B CG  1 
ATOM   1547 C CD1 . LEU A 1 183 ? -23.905 -3.967  -26.201 1.00 23.36  ? 189 LEU B CD1 1 
ATOM   1548 C CD2 . LEU A 1 183 ? -22.975 -5.186  -24.198 1.00 16.87  ? 189 LEU B CD2 1 
ATOM   1549 N N   . CYS A 1 184 ? -21.622 -1.796  -21.087 1.00 19.93  ? 190 CYS B N   1 
ATOM   1550 C CA  . CYS A 1 184 ? -20.696 -0.963  -20.258 1.00 21.25  ? 190 CYS B CA  1 
ATOM   1551 C C   . CYS A 1 184 ? -19.337 -0.834  -20.918 1.00 24.54  ? 190 CYS B C   1 
ATOM   1552 O O   . CYS A 1 184 ? -18.809 -1.789  -21.462 1.00 23.60  ? 190 CYS B O   1 
ATOM   1553 C CB  . CYS A 1 184 ? -20.411 -1.589  -18.906 1.00 22.21  ? 190 CYS B CB  1 
ATOM   1554 S SG  . CYS A 1 184 ? -21.909 -2.068  -18.032 1.00 24.79  ? 190 CYS B SG  1 
ATOM   1555 N N   . PRO A 1 185 ? -18.713 0.357   -20.858 1.00 28.52  ? 191 PRO B N   1 
ATOM   1556 C CA  . PRO A 1 185 ? -17.336 0.514   -21.299 1.00 32.17  ? 191 PRO B CA  1 
ATOM   1557 C C   . PRO A 1 185 ? -16.386 -0.456  -20.585 1.00 30.66  ? 191 PRO B C   1 
ATOM   1558 O O   . PRO A 1 185 ? -16.589 -0.752  -19.421 1.00 32.13  ? 191 PRO B O   1 
ATOM   1559 C CB  . PRO A 1 185 ? -17.021 1.990   -20.969 1.00 33.26  ? 191 PRO B CB  1 
ATOM   1560 C CG  . PRO A 1 185 ? -18.072 2.403   -19.978 1.00 33.55  ? 191 PRO B CG  1 
ATOM   1561 C CD  . PRO A 1 185 ? -19.301 1.627   -20.397 1.00 32.64  ? 191 PRO B CD  1 
ATOM   1562 N N   . LEU A 1 186 ? -15.473 -0.993  -21.388 1.00 37.46  ? 192 LEU B N   1 
ATOM   1563 C CA  . LEU A 1 186 ? -14.178 -1.631  -21.050 1.00 43.72  ? 192 LEU B CA  1 
ATOM   1564 C C   . LEU A 1 186 ? -13.334 -0.667  -20.211 1.00 46.48  ? 192 LEU B C   1 
ATOM   1565 O O   . LEU A 1 186 ? -12.461 -1.136  -19.481 1.00 54.89  ? 192 LEU B O   1 
ATOM   1566 C CB  . LEU A 1 186 ? -13.484 -1.956  -22.380 1.00 45.21  ? 192 LEU B CB  1 
HETATM 1567 N N1  . K1P B 2 .   ? -45.620 -6.907  -28.713 0.74 34.05  ? 201 K1P B N1  1 
HETATM 1568 N N3  . K1P B 2 .   ? -46.320 -3.903  -24.536 0.74 34.86  ? 201 K1P B N3  1 
HETATM 1569 C C4  . K1P B 2 .   ? -47.667 -5.361  -26.051 0.74 32.24  ? 201 K1P B C4  1 
HETATM 1570 C C5  . K1P B 2 .   ? -47.645 -4.297  -24.957 0.74 31.85  ? 201 K1P B C5  1 
HETATM 1571 C C6  . K1P B 2 .   ? -45.604 -3.157  -25.561 0.74 35.29  ? 201 K1P B C6  1 
HETATM 1572 C C7  . K1P B 2 .   ? -44.854 -4.046  -26.542 0.74 35.02  ? 201 K1P B C7  1 
HETATM 1573 N N   . K1P B 2 .   ? -43.375 -7.190  -29.372 0.74 36.34  ? 201 K1P B N   1 
HETATM 1574 C C   . K1P B 2 .   ? -45.057 -9.006  -30.161 0.74 34.75  ? 201 K1P B C   1 
HETATM 1575 C C1  . K1P B 2 .   ? -44.650 -7.737  -29.448 0.74 36.52  ? 201 K1P B C1  1 
HETATM 1576 C C2  . K1P B 2 .   ? -45.005 -5.837  -28.183 0.74 33.47  ? 201 K1P B C2  1 
HETATM 1577 C C3  . K1P B 2 .   ? -47.151 -4.860  -27.401 0.74 33.27  ? 201 K1P B C3  1 
HETATM 1578 N N2  . K1P B 2 .   ? -45.702 -4.863  -27.377 0.74 33.17  ? 201 K1P B N2  1 
HETATM 1579 S S   . K1P B 2 .   ? -43.418 -5.870  -28.509 0.74 35.36  ? 201 K1P B S   1 
HETATM 1580 C C1  . EDO C 3 .   ? -45.806 0.433   -22.450 0.74 64.57  ? 202 EDO B C1  1 
HETATM 1581 O O1  . EDO C 3 .   ? -44.750 0.961   -23.211 0.74 63.32  ? 202 EDO B O1  1 
HETATM 1582 C C2  . EDO C 3 .   ? -46.960 1.355   -22.344 0.74 65.52  ? 202 EDO B C2  1 
HETATM 1583 O O2  . EDO C 3 .   ? -47.781 1.332   -23.489 0.74 71.67  ? 202 EDO B O2  1 
HETATM 1584 C C1  . EDO D 3 .   ? -50.772 -16.717 -33.241 1.00 46.61  ? 203 EDO B C1  1 
HETATM 1585 O O1  . EDO D 3 .   ? -49.378 -16.523 -33.244 1.00 41.92  ? 203 EDO B O1  1 
HETATM 1586 C C2  . EDO D 3 .   ? -51.293 -17.092 -31.919 1.00 45.01  ? 203 EDO B C2  1 
HETATM 1587 O O2  . EDO D 3 .   ? -51.909 -15.993 -31.295 1.00 50.55  ? 203 EDO B O2  1 
HETATM 1588 S S   . SO4 E 4 .   ? -40.602 -24.818 -26.243 1.00 48.92  ? 204 SO4 B S   1 
HETATM 1589 O O1  . SO4 E 4 .   ? -39.912 -23.848 -27.057 1.00 30.26  ? 204 SO4 B O1  1 
HETATM 1590 O O2  . SO4 E 4 .   ? -41.452 -25.611 -27.077 1.00 48.40  ? 204 SO4 B O2  1 
HETATM 1591 O O3  . SO4 E 4 .   ? -39.642 -25.673 -25.583 1.00 48.80  ? 204 SO4 B O3  1 
HETATM 1592 O O4  . SO4 E 4 .   ? -41.404 -24.159 -25.236 1.00 46.39  ? 204 SO4 B O4  1 
HETATM 1593 O O   . HOH F 5 .   ? -42.690 1.323   -22.765 1.00 37.77  ? 301 HOH B O   1 
HETATM 1594 O O   . HOH F 5 .   ? -44.779 -3.557  -22.962 0.74 23.57  ? 302 HOH B O   1 
HETATM 1595 O O   . HOH F 5 .   ? -46.212 3.732   -34.262 1.00 34.12  ? 303 HOH B O   1 
HETATM 1596 O O   . HOH F 5 .   ? -38.849 -15.531 -11.909 1.00 44.85  ? 304 HOH B O   1 
HETATM 1597 O O   . HOH F 5 .   ? -44.535 -0.075  -25.390 1.00 41.93  ? 305 HOH B O   1 
HETATM 1598 O O   . HOH F 5 .   ? -33.867 5.064   -17.122 1.00 48.08  ? 306 HOH B O   1 
HETATM 1599 O O   . HOH F 5 .   ? -27.050 -28.701 -27.914 1.00 29.49  ? 307 HOH B O   1 
HETATM 1600 O O   . HOH F 5 .   ? -46.989 1.071   -25.827 1.00 43.91  ? 308 HOH B O   1 
HETATM 1601 O O   . HOH F 5 .   ? -45.276 7.350   -24.602 1.00 42.46  ? 309 HOH B O   1 
HETATM 1602 O O   . HOH F 5 .   ? -24.600 -3.955  -36.475 1.00 44.64  ? 310 HOH B O   1 
HETATM 1603 O O   . HOH F 5 .   ? -42.497 -6.671  -6.022  1.00 37.25  ? 311 HOH B O   1 
HETATM 1604 O O   . HOH F 5 .   ? -13.667 -23.625 -31.675 1.00 17.65  ? 312 HOH B O   1 
HETATM 1605 O O   . HOH F 5 .   ? -40.218 -1.120  -9.932  1.00 39.83  ? 313 HOH B O   1 
HETATM 1606 O O   . HOH F 5 .   ? -38.405 3.636   -41.975 1.00 38.54  ? 314 HOH B O   1 
HETATM 1607 O O   . HOH F 5 .   ? -15.599 -5.454  -13.929 1.00 34.60  ? 315 HOH B O   1 
HETATM 1608 O O   . HOH F 5 .   ? -9.846  -20.806 -29.177 1.00 50.84  ? 316 HOH B O   1 
HETATM 1609 O O   . HOH F 5 .   ? -41.991 -7.560  -3.958  1.00 44.14  ? 317 HOH B O   1 
HETATM 1610 O O   . HOH F 5 .   ? -36.088 -22.686 -19.643 1.00 28.06  ? 318 HOH B O   1 
HETATM 1611 O O   . HOH F 5 .   ? -20.984 -6.247  -2.083  1.00 43.30  ? 319 HOH B O   1 
HETATM 1612 O O   . HOH F 5 .   ? -49.819 -1.350  -19.394 1.00 34.24  ? 320 HOH B O   1 
HETATM 1613 O O   . HOH F 5 .   ? -33.164 1.012   -33.588 1.00 20.51  ? 321 HOH B O   1 
HETATM 1614 O O   . HOH F 5 .   ? -38.481 0.463   -11.927 1.00 39.22  ? 322 HOH B O   1 
HETATM 1615 O O   . HOH F 5 .   ? -45.398 -12.509 -26.681 1.00 36.46  ? 323 HOH B O   1 
HETATM 1616 O O   . HOH F 5 .   ? -47.336 -17.104 -31.733 1.00 20.43  ? 324 HOH B O   1 
HETATM 1617 O O   . HOH F 5 .   ? -12.888 -21.367 -18.916 1.00 32.19  ? 325 HOH B O   1 
HETATM 1618 O O   . HOH F 5 .   ? -19.537 -29.872 -15.712 1.00 31.11  ? 326 HOH B O   1 
HETATM 1619 O O   . HOH F 5 .   ? -18.829 -22.168 -35.854 1.00 18.85  ? 327 HOH B O   1 
HETATM 1620 O O   . HOH F 5 .   ? -26.756 1.870   -11.209 1.00 34.97  ? 328 HOH B O   1 
HETATM 1621 O O   . HOH F 5 .   ? -10.989 -21.235 -25.074 1.00 36.39  ? 329 HOH B O   1 
HETATM 1622 O O   . HOH F 5 .   ? -36.956 -25.917 -23.598 1.00 42.08  ? 330 HOH B O   1 
HETATM 1623 O O   . HOH F 5 .   ? -10.544 -23.456 -21.910 1.00 35.59  ? 331 HOH B O   1 
HETATM 1624 O O   . HOH F 5 .   ? -26.555 3.383   -35.351 1.00 34.16  ? 332 HOH B O   1 
HETATM 1625 O O   . HOH F 5 .   ? -36.413 5.353   -15.641 1.00 30.83  ? 333 HOH B O   1 
HETATM 1626 O O   . HOH F 5 .   ? -38.236 2.714   -22.785 1.00 24.77  ? 334 HOH B O   1 
HETATM 1627 O O   . HOH F 5 .   ? -24.053 1.032   -10.816 1.00 40.73  ? 335 HOH B O   1 
HETATM 1628 O O   . HOH F 5 .   ? -24.717 -30.870 -22.139 1.00 42.62  ? 336 HOH B O   1 
HETATM 1629 O O   . HOH F 5 .   ? -26.054 -22.727 -35.902 1.00 30.92  ? 337 HOH B O   1 
HETATM 1630 O O   . HOH F 5 .   ? -17.717 -21.416 -12.499 1.00 19.57  ? 338 HOH B O   1 
HETATM 1631 O O   . HOH F 5 .   ? -18.591 -4.681  -24.782 1.00 22.03  ? 339 HOH B O   1 
HETATM 1632 O O   . HOH F 5 .   ? -16.294 -19.435 -15.817 1.00 30.38  ? 340 HOH B O   1 
HETATM 1633 O O   . HOH F 5 .   ? -36.140 -19.338 -30.451 1.00 39.71  ? 341 HOH B O   1 
HETATM 1634 O O   . HOH F 5 .   ? -20.088 1.750   -30.708 1.00 30.11  ? 342 HOH B O   1 
HETATM 1635 O O   . HOH F 5 .   ? -31.036 -6.775  -11.293 1.00 18.81  ? 343 HOH B O   1 
HETATM 1636 O O   . HOH F 5 .   ? -38.935 -2.599  -21.407 1.00 18.73  ? 344 HOH B O   1 
HETATM 1637 O O   . HOH F 5 .   ? -9.738  -18.559 -30.398 1.00 54.32  ? 345 HOH B O   1 
HETATM 1638 O O   . HOH F 5 .   ? -17.582 -27.661 -19.702 1.00 22.76  ? 346 HOH B O   1 
HETATM 1639 O O   . HOH F 5 .   ? -38.711 -7.857  -10.771 1.00 19.94  ? 347 HOH B O   1 
HETATM 1640 O O   . HOH F 5 .   ? -32.826 -18.275 -37.245 1.00 38.70  ? 348 HOH B O   1 
HETATM 1641 O O   . HOH F 5 .   ? -30.988 -20.450 -21.331 1.00 15.01  ? 349 HOH B O   1 
HETATM 1642 O O   . HOH F 5 .   ? -42.620 -3.964  -39.477 1.00 26.26  ? 350 HOH B O   1 
HETATM 1643 O O   . HOH F 5 .   ? -27.873 -27.446 -25.878 1.00 34.68  ? 351 HOH B O   1 
HETATM 1644 O O   . HOH F 5 .   ? -19.522 -4.350  -22.076 1.00 19.89  ? 352 HOH B O   1 
HETATM 1645 O O   . HOH F 5 .   ? -37.488 -25.427 -11.244 1.00 38.85  ? 353 HOH B O   1 
HETATM 1646 O O   . HOH F 5 .   ? -32.519 4.663   -33.018 1.00 24.32  ? 354 HOH B O   1 
HETATM 1647 O O   . HOH F 5 .   ? -30.349 -24.105 -33.973 1.00 28.33  ? 355 HOH B O   1 
HETATM 1648 O O   . HOH F 5 .   ? -34.084 -22.148 -36.386 1.00 44.43  ? 356 HOH B O   1 
HETATM 1649 O O   . HOH F 5 .   ? -13.762 -21.005 -35.429 1.00 32.56  ? 357 HOH B O   1 
HETATM 1650 O O   . HOH F 5 .   ? -26.688 -25.911 -16.391 1.00 20.35  ? 358 HOH B O   1 
HETATM 1651 O O   . HOH F 5 .   ? -34.318 -22.151 -31.376 1.00 18.99  ? 359 HOH B O   1 
HETATM 1652 O O   . HOH F 5 .   ? -36.541 -23.103 -30.833 1.00 35.30  ? 360 HOH B O   1 
HETATM 1653 O O   . HOH F 5 .   ? -41.075 -14.674 -8.428  1.00 29.29  ? 361 HOH B O   1 
HETATM 1654 O O   . HOH F 5 .   ? -23.453 2.195   -23.113 1.00 37.98  ? 362 HOH B O   1 
HETATM 1655 O O   . HOH F 5 .   ? -20.980 -16.409 -5.610  1.00 21.90  ? 363 HOH B O   1 
HETATM 1656 O O   . HOH F 5 .   ? -30.764 0.908   -17.145 1.00 31.12  ? 364 HOH B O   1 
HETATM 1657 O O   . HOH F 5 .   ? -36.732 -6.923  -8.683  1.00 39.02  ? 365 HOH B O   1 
HETATM 1658 O O   . HOH F 5 .   ? -36.441 -2.021  -33.890 1.00 30.39  ? 366 HOH B O   1 
HETATM 1659 O O   . HOH F 5 .   ? -18.417 -17.442 -36.270 1.00 28.47  ? 367 HOH B O   1 
HETATM 1660 O O   . HOH F 5 .   ? -16.791 -5.603  -9.473  1.00 37.02  ? 368 HOH B O   1 
HETATM 1661 O O   . HOH F 5 .   ? -45.282 -8.002  -39.057 1.00 21.07  ? 369 HOH B O   1 
HETATM 1662 O O   . HOH F 5 .   ? -41.317 -9.441  -36.622 1.00 30.97  ? 370 HOH B O   1 
HETATM 1663 O O   . HOH F 5 .   ? -15.160 -19.827 -37.651 1.00 31.36  ? 371 HOH B O   1 
HETATM 1664 O O   . HOH F 5 .   ? -32.545 -5.201  -12.906 1.00 15.79  ? 372 HOH B O   1 
HETATM 1665 O O   . HOH F 5 .   ? -38.427 -13.500 -20.120 1.00 41.95  ? 373 HOH B O   1 
HETATM 1666 O O   . HOH F 5 .   ? -26.795 -17.735 -7.759  1.00 19.03  ? 374 HOH B O   1 
HETATM 1667 O O   . HOH F 5 .   ? -9.622  -16.063 -26.514 1.00 35.75  ? 375 HOH B O   1 
HETATM 1668 O O   . HOH F 5 .   ? -36.696 -1.054  -22.194 1.00 16.17  ? 376 HOH B O   1 
HETATM 1669 O O   . HOH F 5 .   ? -24.033 -12.464 -6.659  1.00 22.55  ? 377 HOH B O   1 
HETATM 1670 O O   . HOH F 5 .   ? -40.515 -14.581 -31.373 1.00 16.77  ? 378 HOH B O   1 
HETATM 1671 O O   . HOH F 5 .   ? -28.433 -21.659 -8.894  1.00 22.82  ? 379 HOH B O   1 
HETATM 1672 O O   . HOH F 5 .   ? -42.802 -5.932  -12.344 1.00 36.63  ? 380 HOH B O   1 
HETATM 1673 O O   . HOH F 5 .   ? -25.075 -14.366 -3.952  1.00 33.38  ? 381 HOH B O   1 
HETATM 1674 O O   . HOH F 5 .   ? -14.727 -16.671 -33.255 1.00 31.40  ? 382 HOH B O   1 
HETATM 1675 O O   . HOH F 5 .   ? -23.675 4.310   -24.602 1.00 35.53  ? 383 HOH B O   1 
HETATM 1676 O O   . HOH F 5 .   ? -33.621 -14.985 -6.986  1.00 26.71  ? 384 HOH B O   1 
HETATM 1677 O O   . HOH F 5 .   ? -18.032 -4.471  -5.680  1.00 43.41  ? 385 HOH B O   1 
HETATM 1678 O O   . HOH F 5 .   ? -18.073 -19.928 -37.687 1.00 34.90  ? 386 HOH B O   1 
HETATM 1679 O O   . HOH F 5 .   ? -35.807 -4.774  -42.087 1.00 24.89  ? 387 HOH B O   1 
HETATM 1680 O O   . HOH F 5 .   ? -25.556 -10.592 -23.602 1.00 16.03  ? 388 HOH B O   1 
HETATM 1681 O O   . HOH F 5 .   ? -37.180 0.900   -15.563 1.00 20.99  ? 389 HOH B O   1 
HETATM 1682 O O   . HOH F 5 .   ? -27.194 -20.270 -6.962  1.00 20.46  ? 390 HOH B O   1 
HETATM 1683 O O   . HOH F 5 .   ? -25.869 -27.079 -23.966 1.00 18.43  ? 391 HOH B O   1 
HETATM 1684 O O   . HOH F 5 .   ? -46.010 -19.852 -31.555 1.00 30.63  ? 392 HOH B O   1 
HETATM 1685 O O   . HOH F 5 .   ? -31.768 3.334   -26.933 1.00 24.46  ? 393 HOH B O   1 
HETATM 1686 O O   . HOH F 5 .   ? -24.023 -26.790 -15.998 1.00 24.43  ? 394 HOH B O   1 
HETATM 1687 O O   . HOH F 5 .   ? -24.696 -11.162 -4.201  1.00 29.28  ? 395 HOH B O   1 
HETATM 1688 O O   . HOH F 5 .   ? -36.008 -4.028  -9.989  1.00 49.16  ? 396 HOH B O   1 
HETATM 1689 O O   . HOH F 5 .   ? -45.926 -14.955 -27.427 1.00 33.04  ? 397 HOH B O   1 
HETATM 1690 O O   . HOH F 5 .   ? -41.241 -8.626  -13.518 1.00 23.15  ? 398 HOH B O   1 
HETATM 1691 O O   . HOH F 5 .   ? -42.606 -5.138  -43.653 1.00 27.12  ? 399 HOH B O   1 
HETATM 1692 O O   . HOH F 5 .   ? -36.883 -0.308  -42.395 1.00 38.88  ? 400 HOH B O   1 
HETATM 1693 O O   . HOH F 5 .   ? -24.973 -15.128 -6.803  1.00 20.34  ? 401 HOH B O   1 
HETATM 1694 O O   . HOH F 5 .   ? -18.101 -16.089 -6.204  1.00 27.40  ? 402 HOH B O   1 
HETATM 1695 O O   . HOH F 5 .   ? -47.928 0.218   -32.540 0.50 49.37  ? 403 HOH B O   1 
HETATM 1696 O O   . HOH F 5 .   ? -40.191 -11.496 -22.862 1.00 24.46  ? 404 HOH B O   1 
HETATM 1697 O O   . HOH F 5 .   ? -43.385 3.627   -18.757 1.00 23.31  ? 405 HOH B O   1 
HETATM 1698 O O   . HOH F 5 .   ? -15.977 -14.791 -8.804  1.00 40.86  ? 406 HOH B O   1 
HETATM 1699 O O   . HOH F 5 .   ? -40.632 -7.660  -34.516 1.00 23.37  ? 407 HOH B O   1 
HETATM 1700 O O   . HOH F 5 .   ? -31.349 4.029   -24.462 1.00 29.12  ? 408 HOH B O   1 
HETATM 1701 O O   . HOH F 5 .   ? -34.414 -7.254  -7.822  1.00 38.52  ? 409 HOH B O   1 
HETATM 1702 O O   . HOH F 5 .   ? -35.147 -9.261  -6.197  1.00 47.16  ? 410 HOH B O   1 
HETATM 1703 O O   . HOH F 5 .   ? -18.061 -11.211 -35.626 1.00 30.17  ? 411 HOH B O   1 
HETATM 1704 O O   . HOH F 5 .   ? -33.780 -1.844  -38.353 1.00 24.86  ? 412 HOH B O   1 
HETATM 1705 O O   . HOH F 5 .   ? -13.273 -6.356  -29.284 1.00 38.22  ? 413 HOH B O   1 
HETATM 1706 O O   . HOH F 5 .   ? -30.904 -17.494 -42.872 1.00 47.46  ? 414 HOH B O   1 
HETATM 1707 O O   . HOH F 5 .   ? -12.859 -18.531 -35.001 1.00 39.42  ? 415 HOH B O   1 
HETATM 1708 O O   . HOH F 5 .   ? -38.666 3.951   -13.574 1.00 39.14  ? 416 HOH B O   1 
HETATM 1709 O O   . HOH F 5 .   ? -52.885 -14.257 -28.938 1.00 50.94  ? 417 HOH B O   1 
HETATM 1710 O O   . HOH F 5 .   ? -25.491 6.815   -28.936 1.00 30.78  ? 418 HOH B O   1 
HETATM 1711 O O   . HOH F 5 .   ? -16.109 -12.196 -5.742  1.00 59.58  ? 419 HOH B O   1 
HETATM 1712 O O   . HOH F 5 .   ? -41.290 -9.079  -19.387 1.00 19.59  ? 420 HOH B O   1 
HETATM 1713 O O   . HOH F 5 .   ? -20.275 2.217   -23.975 1.00 45.87  ? 421 HOH B O   1 
HETATM 1714 O O   . HOH F 5 .   ? -29.241 7.863   -30.069 1.00 37.14  ? 422 HOH B O   1 
HETATM 1715 O O   . HOH F 5 .   ? -32.824 -23.666 -33.625 1.00 36.96  ? 423 HOH B O   1 
HETATM 1716 O O   . HOH F 5 .   ? -42.237 -6.028  -37.605 1.00 45.38  ? 424 HOH B O   1 
HETATM 1717 O O   . HOH F 5 .   ? -41.196 6.503   -33.154 1.00 40.77  ? 425 HOH B O   1 
HETATM 1718 O O   . HOH F 5 .   ? -42.375 -15.908 -17.216 1.00 35.91  ? 426 HOH B O   1 
HETATM 1719 O O   . HOH F 5 .   ? -16.044 -7.367  -11.197 1.00 46.19  ? 427 HOH B O   1 
HETATM 1720 O O   . HOH F 5 .   ? -22.028 6.788   -32.184 1.00 40.11  ? 428 HOH B O   1 
HETATM 1721 O O   . HOH F 5 .   ? -26.239 -28.326 -21.585 1.00 45.68  ? 429 HOH B O   1 
HETATM 1722 O O   . HOH F 5 .   ? -22.989 3.097   -20.594 1.00 45.50  ? 430 HOH B O   1 
HETATM 1723 O O   . HOH F 5 .   ? -23.429 8.253   -30.167 1.00 39.45  ? 431 HOH B O   1 
HETATM 1724 O O   . HOH F 5 .   ? -41.999 -9.696  -44.023 1.00 47.72  ? 432 HOH B O   1 
HETATM 1725 O O   . HOH F 5 .   ? -36.810 2.056   -43.074 1.00 43.90  ? 433 HOH B O   1 
HETATM 1726 O O   . HOH F 5 .   ? -40.256 5.049   -21.902 1.00 39.17  ? 434 HOH B O   1 
HETATM 1727 O O   . HOH F 5 .   ? -16.028 -22.326 -14.675 1.00 35.05  ? 435 HOH B O   1 
HETATM 1728 O O   . HOH F 5 .   ? -16.142 -27.075 -17.330 1.00 44.99  ? 436 HOH B O   1 
HETATM 1729 O O   . HOH F 5 .   ? -28.487 -27.965 -16.744 1.00 30.72  ? 437 HOH B O   1 
HETATM 1730 O O   . HOH F 5 .   ? -26.381 -31.318 -24.005 1.00 34.05  ? 438 HOH B O   1 
HETATM 1731 O O   . HOH F 5 .   ? -42.394 -13.117 -22.490 1.00 29.43  ? 439 HOH B O   1 
# 
