data_7HM3
# 
_entry.id   7HM3 
# 
_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   7HM3         pdb_00007hm3 10.2210/pdb7hm3/pdb 
WWPDB D_1001407645 ?            ?                   
# 
_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                        7HM3 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-04 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.SG_entry                        ? 
_pdbx_database_status.pdb_format_compatible           Y 
_pdbx_database_status.methods_development_category    ? 
# 
_pdbx_contact_author.id                 1 
_pdbx_contact_author.email              knapp@pharmchem.uni-frankfurt.de 
_pdbx_contact_author.name_first         Stefan 
_pdbx_contact_author.name_last          Knapp 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-5995-6494 
_pdbx_contact_author.name_mi            ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Kim, Y.'                              1 
'Marples, P.'                          2 
'Fearon, D.'                           3 
'von Delft, F.'                        4 
'Knapp, S.'                            5 
'Kraemer, A.'                          6 
'Structural Genomics Consortium (SGC)' 7 
# 
_citation.id                        primary 
_citation.title                     'PanDDA analysis group deposition' 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_volume            ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.year                      ? 
_citation.journal_id_ASTM           ? 
_citation.country                   ? 
_citation.journal_id_ISSN           ? 
_citation.journal_id_CSD            0353 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_DOI      ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.identifier_ORCID 
_citation_author.ordinal 
primary 'Kim, Y.'                              ? 1 
primary 'Marples, P.'                          ? 2 
primary 'Fearon, D.'                           ? 3 
primary 'von Delft, F.'                        ? 4 
primary 'Knapp, S.'                            ? 5 
primary 'Kraemer, A.'                          ? 6 
primary 'Structural Genomics Consortium (SGC)' ? 7 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'E3 ubiquitin-protein ligase TRIM21'        21596.361 1   2.3.2.27 ? ? ? 
2 non-polymer syn 1,2-ETHANEDIOL                              62.068    3   ?        ? ? ? 
3 non-polymer syn '(2M)-2-(2-methoxyphenyl)-1,3,4-oxadiazole' 176.172   1   ?        ? ? ? 
4 non-polymer syn 'SULFATE ION'                               96.063    1   ?        ? ? ? 
5 water       nat water                                       18.015    150 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;52 kDa Ro protein,52 kDa ribonucleoprotein autoantigen Ro/SS-A,Ro(SS-A),Sjoegren syndrome type A antigen,SS-A,Tripartite motif-containing protein 21
;
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_strand_id                 B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 1,2-ETHANEDIOL                              EDO 
3 '(2M)-2-(2-methoxyphenyl)-1,3,4-oxadiazole' K6U 
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 
K6U non-polymer         . '(2M)-2-(2-methoxyphenyl)-1,3,4-oxadiazole' ?                 'C9 H8 N2 O2'    176.172 
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        K6U 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   K6U 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 EDO 1   201 202 EDO EDO B . 
C 3 K6U 1   202 302 K6U LIG B . 
D 2 EDO 1   203 303 EDO EDO B . 
E 2 EDO 1   204 305 EDO EDO B . 
F 4 SO4 1   205 1   SO4 SO4 B . 
G 5 HOH 1   301 75  HOH HOH B . 
G 5 HOH 2   302 36  HOH HOH B . 
G 5 HOH 3   303 14  HOH HOH B . 
G 5 HOH 4   304 29  HOH HOH B . 
G 5 HOH 5   305 11  HOH HOH B . 
G 5 HOH 6   306 107 HOH HOH B . 
G 5 HOH 7   307 12  HOH HOH B . 
G 5 HOH 8   308 2   HOH HOH B . 
G 5 HOH 9   309 63  HOH HOH B . 
G 5 HOH 10  310 21  HOH HOH B . 
G 5 HOH 11  311 4   HOH HOH B . 
G 5 HOH 12  312 1   HOH HOH B . 
G 5 HOH 13  313 33  HOH HOH B . 
G 5 HOH 14  314 40  HOH HOH B . 
G 5 HOH 15  315 99  HOH HOH B . 
G 5 HOH 16  316 16  HOH HOH B . 
G 5 HOH 17  317 26  HOH HOH B . 
G 5 HOH 18  318 9   HOH HOH B . 
G 5 HOH 19  319 27  HOH HOH B . 
G 5 HOH 20  320 129 HOH HOH B . 
G 5 HOH 21  321 95  HOH HOH B . 
G 5 HOH 22  322 51  HOH HOH B . 
G 5 HOH 23  323 90  HOH HOH B . 
G 5 HOH 24  324 31  HOH HOH B . 
G 5 HOH 25  325 34  HOH HOH B . 
G 5 HOH 26  326 5   HOH HOH B . 
G 5 HOH 27  327 25  HOH HOH B . 
G 5 HOH 28  328 10  HOH HOH B . 
G 5 HOH 29  329 16  HOH HOH B . 
G 5 HOH 30  330 133 HOH HOH B . 
G 5 HOH 31  331 80  HOH HOH B . 
G 5 HOH 32  332 11  HOH HOH B . 
G 5 HOH 33  333 70  HOH HOH B . 
G 5 HOH 34  334 18  HOH HOH B . 
G 5 HOH 35  335 68  HOH HOH B . 
G 5 HOH 36  336 27  HOH HOH B . 
G 5 HOH 37  337 36  HOH HOH B . 
G 5 HOH 38  338 102 HOH HOH B . 
G 5 HOH 39  339 39  HOH HOH B . 
G 5 HOH 40  340 100 HOH HOH B . 
G 5 HOH 41  341 55  HOH HOH B . 
G 5 HOH 42  342 20  HOH HOH B . 
G 5 HOH 43  343 22  HOH HOH B . 
G 5 HOH 44  344 26  HOH HOH B . 
G 5 HOH 45  345 7   HOH HOH B . 
G 5 HOH 46  346 72  HOH HOH B . 
G 5 HOH 47  347 184 HOH HOH B . 
G 5 HOH 48  348 2   HOH HOH B . 
G 5 HOH 49  349 267 HOH HOH B . 
G 5 HOH 50  350 86  HOH HOH B . 
G 5 HOH 51  351 126 HOH HOH B . 
G 5 HOH 52  352 81  HOH HOH B . 
G 5 HOH 53  353 28  HOH HOH B . 
G 5 HOH 54  354 89  HOH HOH B . 
G 5 HOH 55  355 32  HOH HOH B . 
G 5 HOH 56  356 29  HOH HOH B . 
G 5 HOH 57  357 1   HOH HOH B . 
G 5 HOH 58  358 43  HOH HOH B . 
G 5 HOH 59  359 116 HOH HOH B . 
G 5 HOH 60  360 50  HOH HOH B . 
G 5 HOH 61  361 10  HOH HOH B . 
G 5 HOH 62  362 58  HOH HOH B . 
G 5 HOH 63  363 156 HOH HOH B . 
G 5 HOH 64  364 6   HOH HOH B . 
G 5 HOH 65  365 19  HOH HOH B . 
G 5 HOH 66  366 62  HOH HOH B . 
G 5 HOH 67  367 66  HOH HOH B . 
G 5 HOH 68  368 157 HOH HOH B . 
G 5 HOH 69  369 47  HOH HOH B . 
G 5 HOH 70  370 3   HOH HOH B . 
G 5 HOH 71  371 33  HOH HOH B . 
G 5 HOH 72  372 4   HOH HOH B . 
G 5 HOH 73  373 304 HOH HOH B . 
G 5 HOH 74  374 172 HOH HOH B . 
G 5 HOH 75  375 59  HOH HOH B . 
G 5 HOH 76  376 61  HOH HOH B . 
G 5 HOH 77  377 211 HOH HOH B . 
G 5 HOH 78  378 8   HOH HOH B . 
G 5 HOH 79  379 82  HOH HOH B . 
G 5 HOH 80  380 76  HOH HOH B . 
G 5 HOH 81  381 15  HOH HOH B . 
G 5 HOH 82  382 85  HOH HOH B . 
G 5 HOH 83  383 3   HOH HOH B . 
G 5 HOH 84  384 13  HOH HOH B . 
G 5 HOH 85  385 93  HOH HOH B . 
G 5 HOH 86  386 25  HOH HOH B . 
G 5 HOH 87  387 17  HOH HOH B . 
G 5 HOH 88  388 71  HOH HOH B . 
G 5 HOH 89  389 24  HOH HOH B . 
G 5 HOH 90  390 32  HOH HOH B . 
G 5 HOH 91  391 303 HOH HOH B . 
G 5 HOH 92  392 9   HOH HOH B . 
G 5 HOH 93  393 264 HOH HOH B . 
G 5 HOH 94  394 137 HOH HOH B . 
G 5 HOH 95  395 14  HOH HOH B . 
G 5 HOH 96  396 46  HOH HOH B . 
G 5 HOH 97  397 48  HOH HOH B . 
G 5 HOH 98  398 8   HOH HOH B . 
G 5 HOH 99  399 64  HOH HOH B . 
G 5 HOH 100 400 125 HOH HOH B . 
G 5 HOH 101 401 214 HOH HOH B . 
G 5 HOH 102 402 60  HOH HOH B . 
G 5 HOH 103 403 97  HOH HOH B . 
G 5 HOH 104 404 281 HOH HOH B . 
G 5 HOH 105 405 56  HOH HOH B . 
G 5 HOH 106 406 23  HOH HOH B . 
G 5 HOH 107 407 257 HOH HOH B . 
G 5 HOH 108 408 263 HOH HOH B . 
G 5 HOH 109 409 49  HOH HOH B . 
G 5 HOH 110 410 42  HOH HOH B . 
G 5 HOH 111 411 30  HOH HOH B . 
G 5 HOH 112 412 44  HOH HOH B . 
G 5 HOH 113 413 154 HOH HOH B . 
G 5 HOH 114 414 20  HOH HOH B . 
G 5 HOH 115 415 7   HOH HOH B . 
G 5 HOH 116 416 38  HOH HOH B . 
G 5 HOH 117 417 15  HOH HOH B . 
G 5 HOH 118 418 54  HOH HOH B . 
G 5 HOH 119 419 197 HOH HOH B . 
G 5 HOH 120 420 18  HOH HOH B . 
G 5 HOH 121 421 103 HOH HOH B . 
G 5 HOH 122 422 140 HOH HOH B . 
G 5 HOH 123 423 120 HOH HOH B . 
G 5 HOH 124 424 69  HOH HOH B . 
G 5 HOH 125 425 41  HOH HOH B . 
G 5 HOH 126 426 45  HOH HOH B . 
G 5 HOH 127 427 57  HOH HOH B . 
G 5 HOH 128 428 53  HOH HOH B . 
G 5 HOH 129 429 22  HOH HOH B . 
G 5 HOH 130 430 5   HOH HOH B . 
G 5 HOH 131 431 112 HOH HOH B . 
G 5 HOH 132 432 37  HOH HOH B . 
G 5 HOH 133 433 19  HOH HOH B . 
G 5 HOH 134 434 30  HOH HOH B . 
G 5 HOH 135 435 266 HOH HOH B . 
G 5 HOH 136 436 114 HOH HOH B . 
G 5 HOH 137 437 115 HOH HOH B . 
G 5 HOH 138 438 270 HOH HOH B . 
G 5 HOH 139 439 21  HOH HOH B . 
G 5 HOH 140 440 23  HOH HOH B . 
G 5 HOH 141 441 31  HOH HOH B . 
G 5 HOH 142 442 98  HOH HOH B . 
G 5 HOH 143 443 104 HOH HOH B . 
G 5 HOH 144 444 166 HOH HOH B . 
G 5 HOH 145 445 205 HOH HOH B . 
G 5 HOH 146 446 127 HOH HOH B . 
G 5 HOH 147 447 34  HOH HOH B . 
G 5 HOH 148 448 131 HOH HOH B . 
G 5 HOH 149 449 35  HOH HOH B . 
G 5 HOH 150 450 259 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           7HM3 
_cell.length_a           95.511 
_cell.length_b           95.511 
_cell.length_c           45.852 
_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                         7HM3 
_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          7HM3 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.42 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   49.19 
_exptl_crystal.size_max              ? 
_exptl_crystal.size_mid              ? 
_exptl_crystal.size_min              ? 
_exptl_crystal.size_rad              ? 
_exptl_crystal.description           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.pH              8 
_exptl_crystal_grow.temp            293 
_exptl_crystal_grow.pdbx_details    '4 % PEG 400, 2 M AmmSO4, 0.1 M HEPES pH 8' 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           100 
_diffrn.crystal_id             1 
_diffrn.ambient_temp_details   ? 
# 
_diffrn_detector.detector               PIXEL 
_diffrn_detector.type                   'DECTRIS EIGER2 XE 9M' 
_diffrn_detector.pdbx_collection_date   2024-05-23 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.92124 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'DIAMOND BEAMLINE I04-1' 
_diffrn_source.pdbx_wavelength_list        0.92124 
_diffrn_source.pdbx_synchrotron_site       Diamond 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HM3 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             41.330 
_reflns.d_resolution_high            1.230 
_reflns.number_obs                   55882 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         93.200 
_reflns.pdbx_Rmerge_I_obs            0.072 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        16.700 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              10.500 
_reflns.pdbx_Rrim_I_all              0.076 
_reflns.pdbx_Rpim_I_all              0.021 
_reflns.pdbx_CC_half                 0.999 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     584046 
_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 1.230 1.250  ? 4467 1717 ? 1.113 ? ? ? 2.600  ? 0.700  ? ? ? ? ? ? 58.300 1.382 0.799 0.331 
1 2 6.740 41.330 ? 5042 401  ? 0.058 ? ? ? 12.600 ? 50.700 ? ? ? ? ? ? 99.700 0.061 0.018 0.990 
# 
_refine.entry_id                                 7HM3 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.2300 
_refine.ls_d_res_low                             41.3700 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    93.1300 
_refine.ls_number_reflns_obs                     53182 
_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                          0.1787 
_refine.ls_R_factor_R_work                       0.1777 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.1977 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.8000 
_refine.ls_number_reflns_R_free                  2697 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               16.1290 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.1400 
_refine.aniso_B[2][2]                            0.1400 
_refine.aniso_B[3][3]                            -0.2900 
_refine.aniso_B[1][2]                            -0.0000 
_refine.aniso_B[1][3]                            -0.0000 
_refine.aniso_B[2][3]                            -0.0000 
_refine.correlation_coeff_Fo_to_Fc               0.9700 
_refine.correlation_coeff_Fo_to_Fc_free          0.9630 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.overall_SU_R_free                        ? 
_refine.pdbx_overall_ESU_R                       0.0470 
_refine.pdbx_overall_ESU_R_Free                  0.0480 
_refine.overall_SU_ML                            0.0360 
_refine.overall_SU_B                             0.8680 
_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                                79.390 
_refine.B_iso_min                                8.230 
_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                       1.2300 
_refine_hist.d_res_low                        41.3700 
_refine_hist.pdbx_number_atoms_ligand         30 
_refine_hist.number_atoms_solvent             150 
_refine_hist.number_atoms_total               1673 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           32.74 
_refine_hist.pdbx_B_iso_mean_solvent          26.68 
_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       1998 0.012  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1606 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2506 1.803  1.638  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3703 1.426  1.579  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 235  7.146  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 107  27.864 21.215 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 285  11.673 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   20.430 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         217  0.085  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2228 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     496  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            950  1.371  1.419  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         942  1.360  1.413  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1129 2.202  2.129  ? ? 
# 
_refine_ls_shell.d_res_high                       1.2300 
_refine_ls_shell.d_res_low                        1.2620 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               59.4000 
_refine_ls_shell.number_reflns_R_work             2485 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3440 
_refine_ls_shell.R_factor_R_free                  0.3060 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             115 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                2600 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HM3 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1359419878' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HM3 
_struct_keywords.text            'SGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, TRIM21, LIGASE' 
_struct_keywords.pdbx_keywords   LIGASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 2 ? 
E N N 2 ? 
F N N 4 ? 
G 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              7HM3 
_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 7HM3 MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HM3 HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HM3 HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HM3 HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HM3 HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HM3 HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HM3 HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HM3 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,G 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 4  ? MET A 8  ? HIS B 10  MET B 14  5 ? 5 
HELX_P HELX_P2 AA2 ASP A 14 ? ALA A 18 ? ASP B 20  ALA B 24  5 ? 5 
HELX_P HELX_P3 AA3 SER A 94 ? ASN A 97 ? SER B 100 ASN B 103 5 ? 4 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           114 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            120 
_struct_mon_prot_cis.auth_asym_id           B 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    115 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     121 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    B 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -0.99 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 7 ? 
AA2 ? 6 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 LEU A 22  ? ILE A 24  ? LEU B 28  ILE B 30  
AA1 2 GLN A 30  ? MET A 33  ? GLN B 36  MET B 39  
AA1 3 LEU A 181 ? LEU A 183 ? LEU B 187 LEU B 189 
AA1 4 LYS A 63  ? ASP A 69  ? LYS B 69  ASP B 75  
AA1 5 GLN A 127 ? ASP A 133 ? GLN B 133 ASP B 139 
AA1 6 VAL A 138 ? ASN A 143 ? VAL B 144 ASN B 149 
AA1 7 SER A 149 ? PHE A 154 ? SER B 155 PHE B 160 
AA2 1 MET A 52  ? LEU A 54  ? MET B 58  LEU B 60  
AA2 2 LEU A 163 ? ASN A 168 ? LEU B 169 ASN B 174 
AA2 3 TRP A 76  ? ARG A 82  ? TRP B 82  ARG B 88  
AA2 4 PHE A 99  ? TRP A 105 ? PHE B 105 TRP B 111 
AA2 5 SER A 108 ? ALA A 111 ? SER B 114 ALA B 117 
AA2 6 THR A 117 ? THR A 118 ? THR B 123 THR B 124 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N ILE A 23  ? N ILE B 29  O ARG A 32  ? O ARG B 38  
AA1 2 3 N VAL A 31  ? N VAL B 37  O LEU A 181 ? O LEU B 187 
AA1 3 4 O LYS A 182 ? O LYS B 188 N ASP A 69  ? N ASP B 75  
AA1 4 5 N TRP A 66  ? N TRP B 72  O ILE A 130 ? O ILE B 136 
AA1 5 6 N PHE A 131 ? N PHE B 137 O SER A 140 ? O SER B 146 
AA1 6 7 N PHE A 141 ? N PHE B 147 O ILE A 151 ? O ILE B 157 
AA2 1 2 N VAL A 53  ? N VAL B 59  O PHE A 167 ? O PHE B 173 
AA2 2 3 O ARG A 164 ? O ARG B 170 N CYS A 81  ? N CYS B 87  
AA2 3 4 N VAL A 80  ? N VAL B 86  O TRP A 100 ? O TRP B 106 
AA2 4 5 N TRP A 105 ? N TRP B 111 O SER A 108 ? O SER B 114 
AA2 5 6 N ALA A 111 ? N ALA B 117 O THR A 117 ? O THR B 123 
# 
_pdbx_entry_details.entry_id                   7HM3 
_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   OE2 
_pdbx_validate_close_contact.auth_asym_id_1   B 
_pdbx_validate_close_contact.auth_comp_id_1   GLU 
_pdbx_validate_close_contact.auth_seq_id_1    116 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   B 
_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             1.73 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             CG 
_pdbx_validate_rmsd_angle.auth_asym_id_1             B 
_pdbx_validate_rmsd_angle.auth_comp_id_1             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_1              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CD 
_pdbx_validate_rmsd_angle.auth_asym_id_2             B 
_pdbx_validate_rmsd_angle.auth_comp_id_2             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_2              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             NE 
_pdbx_validate_rmsd_angle.auth_asym_id_3             B 
_pdbx_validate_rmsd_angle.auth_comp_id_3             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_3              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                126.88 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            15.08 
_pdbx_validate_rmsd_angle.angle_standard_deviation   2.10 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASN B 45  ? ? 70.66   35.24 
2 1 ASP B 152 ? ? -104.88 53.39 
# 
_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     436 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   G 
_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 
K6U N1   N Y N 193 
K6U C4   C Y N 194 
K6U C5   C Y N 195 
K6U C6   C Y N 196 
K6U C7   C Y N 197 
K6U C8   C Y N 198 
K6U C1   C N N 199 
K6U C2   C Y N 200 
K6U C3   C Y N 201 
K6U C9   C Y N 202 
K6U N2   N Y N 203 
K6U O1   O N N 204 
K6U O2   O Y N 205 
K6U H5   H N N 206 
K6U H6   H N N 207 
K6U H7   H N N 208 
K6U H3   H N N 209 
K6U H2   H N N 210 
K6U H1   H N N 211 
K6U H4   H N N 212 
K6U H8   H N N 213 
LEU N    N N N 214 
LEU CA   C N S 215 
LEU C    C N N 216 
LEU O    O N N 217 
LEU CB   C N N 218 
LEU CG   C N N 219 
LEU CD1  C N N 220 
LEU CD2  C N N 221 
LEU OXT  O N N 222 
LEU H    H N N 223 
LEU H2   H N N 224 
LEU HA   H N N 225 
LEU HB2  H N N 226 
LEU HB3  H N N 227 
LEU HG   H N N 228 
LEU HD11 H N N 229 
LEU HD12 H N N 230 
LEU HD13 H N N 231 
LEU HD21 H N N 232 
LEU HD22 H N N 233 
LEU HD23 H N N 234 
LEU HXT  H N N 235 
LYS N    N N N 236 
LYS CA   C N S 237 
LYS C    C N N 238 
LYS O    O N N 239 
LYS CB   C N N 240 
LYS CG   C N N 241 
LYS CD   C N N 242 
LYS CE   C N N 243 
LYS NZ   N N N 244 
LYS OXT  O N N 245 
LYS H    H N N 246 
LYS H2   H N N 247 
LYS HA   H N N 248 
LYS HB2  H N N 249 
LYS HB3  H N N 250 
LYS HG2  H N N 251 
LYS HG3  H N N 252 
LYS HD2  H N N 253 
LYS HD3  H N N 254 
LYS HE2  H N N 255 
LYS HE3  H N N 256 
LYS HZ1  H N N 257 
LYS HZ2  H N N 258 
LYS HZ3  H N N 259 
LYS HXT  H N N 260 
MET N    N N N 261 
MET CA   C N S 262 
MET C    C N N 263 
MET O    O N N 264 
MET CB   C N N 265 
MET CG   C N N 266 
MET SD   S N N 267 
MET CE   C N N 268 
MET OXT  O N N 269 
MET H    H N N 270 
MET H2   H N N 271 
MET HA   H N N 272 
MET HB2  H N N 273 
MET HB3  H N N 274 
MET HG2  H N N 275 
MET HG3  H N N 276 
MET HE1  H N N 277 
MET HE2  H N N 278 
MET HE3  H N N 279 
MET HXT  H N N 280 
PHE N    N N N 281 
PHE CA   C N S 282 
PHE C    C N N 283 
PHE O    O N N 284 
PHE CB   C N N 285 
PHE CG   C Y N 286 
PHE CD1  C Y N 287 
PHE CD2  C Y N 288 
PHE CE1  C Y N 289 
PHE CE2  C Y N 290 
PHE CZ   C Y N 291 
PHE OXT  O N N 292 
PHE H    H N N 293 
PHE H2   H N N 294 
PHE HA   H N N 295 
PHE HB2  H N N 296 
PHE HB3  H N N 297 
PHE HD1  H N N 298 
PHE HD2  H N N 299 
PHE HE1  H N N 300 
PHE HE2  H N N 301 
PHE HZ   H N N 302 
PHE HXT  H N N 303 
PRO N    N N N 304 
PRO CA   C N S 305 
PRO C    C N N 306 
PRO O    O N N 307 
PRO CB   C N N 308 
PRO CG   C N N 309 
PRO CD   C N N 310 
PRO OXT  O N N 311 
PRO H    H N N 312 
PRO HA   H N N 313 
PRO HB2  H N N 314 
PRO HB3  H N N 315 
PRO HG2  H N N 316 
PRO HG3  H N N 317 
PRO HD2  H N N 318 
PRO HD3  H N N 319 
PRO HXT  H N N 320 
SER N    N N N 321 
SER CA   C N S 322 
SER C    C N N 323 
SER O    O N N 324 
SER CB   C N N 325 
SER OG   O N N 326 
SER OXT  O N N 327 
SER H    H N N 328 
SER H2   H N N 329 
SER HA   H N N 330 
SER HB2  H N N 331 
SER HB3  H N N 332 
SER HG   H N N 333 
SER HXT  H N N 334 
SO4 S    S N N 335 
SO4 O1   O N N 336 
SO4 O2   O N N 337 
SO4 O3   O N N 338 
SO4 O4   O N N 339 
THR N    N N N 340 
THR CA   C N S 341 
THR C    C N N 342 
THR O    O N N 343 
THR CB   C N R 344 
THR OG1  O N N 345 
THR CG2  C N N 346 
THR OXT  O N N 347 
THR H    H N N 348 
THR H2   H N N 349 
THR HA   H N N 350 
THR HB   H N N 351 
THR HG1  H N N 352 
THR HG21 H N N 353 
THR HG22 H N N 354 
THR HG23 H N N 355 
THR HXT  H N N 356 
TRP N    N N N 357 
TRP CA   C N S 358 
TRP C    C N N 359 
TRP O    O N N 360 
TRP CB   C N N 361 
TRP CG   C Y N 362 
TRP CD1  C Y N 363 
TRP CD2  C Y N 364 
TRP NE1  N Y N 365 
TRP CE2  C Y N 366 
TRP CE3  C Y N 367 
TRP CZ2  C Y N 368 
TRP CZ3  C Y N 369 
TRP CH2  C Y N 370 
TRP OXT  O N N 371 
TRP H    H N N 372 
TRP H2   H N N 373 
TRP HA   H N N 374 
TRP HB2  H N N 375 
TRP HB3  H N N 376 
TRP HD1  H N N 377 
TRP HE1  H N N 378 
TRP HE3  H N N 379 
TRP HZ2  H N N 380 
TRP HZ3  H N N 381 
TRP HH2  H N N 382 
TRP HXT  H N N 383 
TYR N    N N N 384 
TYR CA   C N S 385 
TYR C    C N N 386 
TYR O    O N N 387 
TYR CB   C N N 388 
TYR CG   C Y N 389 
TYR CD1  C Y N 390 
TYR CD2  C Y N 391 
TYR CE1  C Y N 392 
TYR CE2  C Y N 393 
TYR CZ   C Y N 394 
TYR OH   O N N 395 
TYR OXT  O N N 396 
TYR H    H N N 397 
TYR H2   H N N 398 
TYR HA   H N N 399 
TYR HB2  H N N 400 
TYR HB3  H N N 401 
TYR HD1  H N N 402 
TYR HD2  H N N 403 
TYR HE1  H N N 404 
TYR HE2  H N N 405 
TYR HH   H N N 406 
TYR HXT  H N N 407 
VAL N    N N N 408 
VAL CA   C N S 409 
VAL C    C N N 410 
VAL O    O N N 411 
VAL CB   C N N 412 
VAL CG1  C N N 413 
VAL CG2  C N N 414 
VAL OXT  O N N 415 
VAL H    H N N 416 
VAL H2   H N N 417 
VAL HA   H N N 418 
VAL HB   H N N 419 
VAL HG11 H N N 420 
VAL HG12 H N N 421 
VAL HG13 H N N 422 
VAL HG21 H N N 423 
VAL HG22 H N N 424 
VAL HG23 H N N 425 
VAL HXT  H N N 426 
# 
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 
K6U C1  O1   sing N N 182 
K6U O1  C2   sing N N 183 
K6U C2  C3   doub Y N 184 
K6U C3  C4   sing Y N 185 
K6U C4  C5   doub Y N 186 
K6U C5  C6   sing Y N 187 
K6U C6  C7   doub Y N 188 
K6U C7  C8   sing N N 189 
K6U C8  N1   doub Y N 190 
K6U N1  N2   sing Y N 191 
K6U N2  C9   doub Y N 192 
K6U C9  O2   sing Y N 193 
K6U C2  C7   sing Y N 194 
K6U C8  O2   sing Y N 195 
K6U C4  H5   sing N N 196 
K6U C5  H6   sing N N 197 
K6U C6  H7   sing N N 198 
K6U C1  H3   sing N N 199 
K6U C1  H2   sing N N 200 
K6U C1  H1   sing N N 201 
K6U C3  H4   sing N N 202 
K6U C9  H8   sing N N 203 
LEU N   CA   sing N N 204 
LEU N   H    sing N N 205 
LEU N   H2   sing N N 206 
LEU CA  C    sing N N 207 
LEU CA  CB   sing N N 208 
LEU CA  HA   sing N N 209 
LEU C   O    doub N N 210 
LEU C   OXT  sing N N 211 
LEU CB  CG   sing N N 212 
LEU CB  HB2  sing N N 213 
LEU CB  HB3  sing N N 214 
LEU CG  CD1  sing N N 215 
LEU CG  CD2  sing N N 216 
LEU CG  HG   sing N N 217 
LEU CD1 HD11 sing N N 218 
LEU CD1 HD12 sing N N 219 
LEU CD1 HD13 sing N N 220 
LEU CD2 HD21 sing N N 221 
LEU CD2 HD22 sing N N 222 
LEU CD2 HD23 sing N N 223 
LEU OXT HXT  sing N N 224 
LYS N   CA   sing N N 225 
LYS N   H    sing N N 226 
LYS N   H2   sing N N 227 
LYS CA  C    sing N N 228 
LYS CA  CB   sing N N 229 
LYS CA  HA   sing N N 230 
LYS C   O    doub N N 231 
LYS C   OXT  sing N N 232 
LYS CB  CG   sing N N 233 
LYS CB  HB2  sing N N 234 
LYS CB  HB3  sing N N 235 
LYS CG  CD   sing N N 236 
LYS CG  HG2  sing N N 237 
LYS CG  HG3  sing N N 238 
LYS CD  CE   sing N N 239 
LYS CD  HD2  sing N N 240 
LYS CD  HD3  sing N N 241 
LYS CE  NZ   sing N N 242 
LYS CE  HE2  sing N N 243 
LYS CE  HE3  sing N N 244 
LYS NZ  HZ1  sing N N 245 
LYS NZ  HZ2  sing N N 246 
LYS NZ  HZ3  sing N N 247 
LYS OXT HXT  sing N N 248 
MET N   CA   sing N N 249 
MET N   H    sing N N 250 
MET N   H2   sing N N 251 
MET CA  C    sing N N 252 
MET CA  CB   sing N N 253 
MET CA  HA   sing N N 254 
MET C   O    doub N N 255 
MET C   OXT  sing N N 256 
MET CB  CG   sing N N 257 
MET CB  HB2  sing N N 258 
MET CB  HB3  sing N N 259 
MET CG  SD   sing N N 260 
MET CG  HG2  sing N N 261 
MET CG  HG3  sing N N 262 
MET SD  CE   sing N N 263 
MET CE  HE1  sing N N 264 
MET CE  HE2  sing N N 265 
MET CE  HE3  sing N N 266 
MET OXT HXT  sing N N 267 
PHE N   CA   sing N N 268 
PHE N   H    sing N N 269 
PHE N   H2   sing N N 270 
PHE CA  C    sing N N 271 
PHE CA  CB   sing N N 272 
PHE CA  HA   sing N N 273 
PHE C   O    doub N N 274 
PHE C   OXT  sing N N 275 
PHE CB  CG   sing N N 276 
PHE CB  HB2  sing N N 277 
PHE CB  HB3  sing N N 278 
PHE CG  CD1  doub Y N 279 
PHE CG  CD2  sing Y N 280 
PHE CD1 CE1  sing Y N 281 
PHE CD1 HD1  sing N N 282 
PHE CD2 CE2  doub Y N 283 
PHE CD2 HD2  sing N N 284 
PHE CE1 CZ   doub Y N 285 
PHE CE1 HE1  sing N N 286 
PHE CE2 CZ   sing Y N 287 
PHE CE2 HE2  sing N N 288 
PHE CZ  HZ   sing N N 289 
PHE OXT HXT  sing N N 290 
PRO N   CA   sing N N 291 
PRO N   CD   sing N N 292 
PRO N   H    sing N N 293 
PRO CA  C    sing N N 294 
PRO CA  CB   sing N N 295 
PRO CA  HA   sing N N 296 
PRO C   O    doub N N 297 
PRO C   OXT  sing N N 298 
PRO CB  CG   sing N N 299 
PRO CB  HB2  sing N N 300 
PRO CB  HB3  sing N N 301 
PRO CG  CD   sing N N 302 
PRO CG  HG2  sing N N 303 
PRO CG  HG3  sing N N 304 
PRO CD  HD2  sing N N 305 
PRO CD  HD3  sing N N 306 
PRO OXT HXT  sing N N 307 
SER N   CA   sing N N 308 
SER N   H    sing N N 309 
SER N   H2   sing N N 310 
SER CA  C    sing N N 311 
SER CA  CB   sing N N 312 
SER CA  HA   sing N N 313 
SER C   O    doub N N 314 
SER C   OXT  sing N N 315 
SER CB  OG   sing N N 316 
SER CB  HB2  sing N N 317 
SER CB  HB3  sing N N 318 
SER OG  HG   sing N N 319 
SER OXT HXT  sing N N 320 
SO4 S   O1   doub N N 321 
SO4 S   O2   doub N N 322 
SO4 S   O3   sing N N 323 
SO4 S   O4   sing N N 324 
THR N   CA   sing N N 325 
THR N   H    sing N N 326 
THR N   H2   sing N N 327 
THR CA  C    sing N N 328 
THR CA  CB   sing N N 329 
THR CA  HA   sing N N 330 
THR C   O    doub N N 331 
THR C   OXT  sing N N 332 
THR CB  OG1  sing N N 333 
THR CB  CG2  sing N N 334 
THR CB  HB   sing N N 335 
THR OG1 HG1  sing N N 336 
THR CG2 HG21 sing N N 337 
THR CG2 HG22 sing N N 338 
THR CG2 HG23 sing N N 339 
THR OXT HXT  sing N N 340 
TRP N   CA   sing N N 341 
TRP N   H    sing N N 342 
TRP N   H2   sing N N 343 
TRP CA  C    sing N N 344 
TRP CA  CB   sing N N 345 
TRP CA  HA   sing N N 346 
TRP C   O    doub N N 347 
TRP C   OXT  sing N N 348 
TRP CB  CG   sing N N 349 
TRP CB  HB2  sing N N 350 
TRP CB  HB3  sing N N 351 
TRP CG  CD1  doub Y N 352 
TRP CG  CD2  sing Y N 353 
TRP CD1 NE1  sing Y N 354 
TRP CD1 HD1  sing N N 355 
TRP CD2 CE2  doub Y N 356 
TRP CD2 CE3  sing Y N 357 
TRP NE1 CE2  sing Y N 358 
TRP NE1 HE1  sing N N 359 
TRP CE2 CZ2  sing Y N 360 
TRP CE3 CZ3  doub Y N 361 
TRP CE3 HE3  sing N N 362 
TRP CZ2 CH2  doub Y N 363 
TRP CZ2 HZ2  sing N N 364 
TRP CZ3 CH2  sing Y N 365 
TRP CZ3 HZ3  sing N N 366 
TRP CH2 HH2  sing N N 367 
TRP OXT HXT  sing N N 368 
TYR N   CA   sing N N 369 
TYR N   H    sing N N 370 
TYR N   H2   sing N N 371 
TYR CA  C    sing N N 372 
TYR CA  CB   sing N N 373 
TYR CA  HA   sing N N 374 
TYR C   O    doub N N 375 
TYR C   OXT  sing N N 376 
TYR CB  CG   sing N N 377 
TYR CB  HB2  sing N N 378 
TYR CB  HB3  sing N N 379 
TYR CG  CD1  doub Y N 380 
TYR CG  CD2  sing Y N 381 
TYR CD1 CE1  sing Y N 382 
TYR CD1 HD1  sing N N 383 
TYR CD2 CE2  doub Y N 384 
TYR CD2 HD2  sing N N 385 
TYR CE1 CZ   doub Y N 386 
TYR CE1 HE1  sing N N 387 
TYR CE2 CZ   sing Y N 388 
TYR CE2 HE2  sing N N 389 
TYR CZ  OH   sing N N 390 
TYR OH  HH   sing N N 391 
TYR OXT HXT  sing N N 392 
VAL N   CA   sing N N 393 
VAL N   H    sing N N 394 
VAL N   H2   sing N N 395 
VAL CA  C    sing N N 396 
VAL CA  CB   sing N N 397 
VAL CA  HA   sing N N 398 
VAL C   O    doub N N 399 
VAL C   OXT  sing N N 400 
VAL CB  CG1  sing N N 401 
VAL CB  CG2  sing N N 402 
VAL CB  HB   sing N N 403 
VAL CG1 HG11 sing N N 404 
VAL CG1 HG12 sing N N 405 
VAL CG1 HG13 sing N N 406 
VAL CG2 HG21 sing N N 407 
VAL CG2 HG22 sing N N 408 
VAL CG2 HG23 sing N N 409 
VAL OXT HXT  sing N N 410 
# 
_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                    7HM3 
_atom_sites.fract_transf_matrix[1][1]   0.010470 
_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]   0.010470 
_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]   0.021809 
_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   ? -12.851 -13.309 -9.957  1.00 68.86 ? 8   HIS B N   1 
ATOM   2    C CA  . HIS A 1 2   ? -12.571 -13.746 -11.362 1.00 63.86 ? 8   HIS B CA  1 
ATOM   3    C C   . HIS A 1 2   ? -11.559 -12.792 -12.011 1.00 61.24 ? 8   HIS B C   1 
ATOM   4    O O   . HIS A 1 2   ? -11.599 -11.575 -11.711 1.00 66.13 ? 8   HIS B O   1 
ATOM   5    C CB  . HIS A 1 2   ? -13.885 -13.888 -12.160 1.00 58.73 ? 8   HIS B CB  1 
ATOM   6    C CG  . HIS A 1 2   ? -14.480 -12.613 -12.679 1.00 54.76 ? 8   HIS B CG  1 
ATOM   7    N ND1 . HIS A 1 2   ? -14.030 -12.002 -13.838 1.00 54.99 ? 8   HIS B ND1 1 
ATOM   8    C CD2 . HIS A 1 2   ? -15.518 -11.862 -12.242 1.00 50.33 ? 8   HIS B CD2 1 
ATOM   9    C CE1 . HIS A 1 2   ? -14.741 -10.913 -14.069 1.00 53.51 ? 8   HIS B CE1 1 
ATOM   10   N NE2 . HIS A 1 2   ? -15.666 -10.806 -13.110 1.00 50.07 ? 8   HIS B NE2 1 
ATOM   11   N N   . HIS A 1 3   ? -10.689 -13.336 -12.867 1.00 59.22 ? 9   HIS B N   1 
ATOM   12   C CA  . HIS A 1 3   ? -9.679  -12.596 -13.674 1.00 58.48 ? 9   HIS B CA  1 
ATOM   13   C C   . HIS A 1 3   ? -10.006 -12.753 -15.171 1.00 50.25 ? 9   HIS B C   1 
ATOM   14   O O   . HIS A 1 3   ? -9.066  -13.032 -15.955 1.00 47.59 ? 9   HIS B O   1 
ATOM   15   C CB  . HIS A 1 3   ? -8.259  -13.065 -13.291 1.00 65.19 ? 9   HIS B CB  1 
ATOM   16   C CG  . HIS A 1 3   ? -7.908  -12.831 -11.855 1.00 73.88 ? 9   HIS B CG  1 
ATOM   17   N ND1 . HIS A 1 3   ? -7.970  -11.575 -11.266 1.00 76.49 ? 9   HIS B ND1 1 
ATOM   18   C CD2 . HIS A 1 3   ? -7.481  -13.675 -10.888 1.00 78.11 ? 9   HIS B CD2 1 
ATOM   19   C CE1 . HIS A 1 3   ? -7.606  -11.660 -10.002 1.00 78.48 ? 9   HIS B CE1 1 
ATOM   20   N NE2 . HIS A 1 3   ? -7.299  -12.939 -9.745  1.00 79.39 ? 9   HIS B NE2 1 
ATOM   21   N N   . HIS A 1 4   ? -11.285 -12.570 -15.555 1.00 40.38 ? 10  HIS B N   1 
ATOM   22   C CA  . HIS A 1 4   ? -11.804 -12.721 -16.948 1.00 33.25 ? 10  HIS B CA  1 
ATOM   23   C C   . HIS A 1 4   ? -11.790 -11.364 -17.665 1.00 32.49 ? 10  HIS B C   1 
ATOM   24   O O   . HIS A 1 4   ? -11.895 -11.347 -18.904 1.00 28.85 ? 10  HIS B O   1 
ATOM   25   C CB  . HIS A 1 4   ? -13.222 -13.335 -16.962 1.00 31.29 ? 10  HIS B CB  1 
ATOM   26   C CG  . HIS A 1 4   ? -13.299 -14.716 -16.396 1.00 31.27 ? 10  HIS B CG  1 
ATOM   27   N ND1 . HIS A 1 4   ? -12.361 -15.705 -16.694 1.00 29.22 ? 10  HIS B ND1 1 
ATOM   28   C CD2 . HIS A 1 4   ? -14.191 -15.286 -15.555 1.00 29.94 ? 10  HIS B CD2 1 
ATOM   29   C CE1 . HIS A 1 4   ? -12.676 -16.818 -16.056 1.00 34.06 ? 10  HIS B CE1 1 
ATOM   30   N NE2 . HIS A 1 4   ? -13.796 -16.589 -15.354 1.00 33.75 ? 10  HIS B NE2 1 
ATOM   31   N N   . HIS A 1 5   ? -11.641 -10.261 -16.919 1.00 33.95 ? 11  HIS B N   1 
ATOM   32   C CA  . HIS A 1 5   ? -11.714 -8.862  -17.434 1.00 36.63 ? 11  HIS B CA  1 
ATOM   33   C C   . HIS A 1 5   ? -10.816 -8.667  -18.668 1.00 35.42 ? 11  HIS B C   1 
ATOM   34   O O   . HIS A 1 5   ? -11.259 -7.945  -19.588 1.00 34.63 ? 11  HIS B O   1 
ATOM   35   C CB  . HIS A 1 5   ? -11.374 -7.825  -16.342 1.00 46.23 ? 11  HIS B CB  1 
ATOM   36   C CG  . HIS A 1 5   ? -12.135 -7.986  -15.067 1.00 58.38 ? 11  HIS B CG  1 
ATOM   37   N ND1 . HIS A 1 5   ? -11.590 -8.618  -13.951 1.00 68.49 ? 11  HIS B ND1 1 
ATOM   38   C CD2 . HIS A 1 5   ? -13.385 -7.604  -14.712 1.00 64.94 ? 11  HIS B CD2 1 
ATOM   39   C CE1 . HIS A 1 5   ? -12.477 -8.620  -12.970 1.00 69.77 ? 11  HIS B CE1 1 
ATOM   40   N NE2 . HIS A 1 5   ? -13.589 -8.005  -13.413 1.00 68.83 ? 11  HIS B NE2 1 
ATOM   41   N N   . HIS A 1 6   ? -9.627  -9.296  -18.715 1.00 32.64 ? 12  HIS B N   1 
ATOM   42   C CA  . HIS A 1 6   ? -8.616  -9.121  -19.799 1.00 32.49 ? 12  HIS B CA  1 
ATOM   43   C C   . HIS A 1 6   ? -9.053  -9.761  -21.128 1.00 29.84 ? 12  HIS B C   1 
ATOM   44   O O   . HIS A 1 6   ? -8.384  -9.510  -22.136 1.00 31.32 ? 12  HIS B O   1 
ATOM   45   C CB  . HIS A 1 6   ? -7.236  -9.633  -19.354 1.00 38.87 ? 12  HIS B CB  1 
ATOM   46   C CG  . HIS A 1 6   ? -7.140  -11.103 -19.117 1.00 39.80 ? 12  HIS B CG  1 
ATOM   47   N ND1 . HIS A 1 6   ? -6.553  -11.967 -20.030 1.00 45.66 ? 12  HIS B ND1 1 
ATOM   48   C CD2 . HIS A 1 6   ? -7.506  -11.860 -18.060 1.00 42.87 ? 12  HIS B CD2 1 
ATOM   49   C CE1 . HIS A 1 6   ? -6.584  -13.196 -19.554 1.00 40.91 ? 12  HIS B CE1 1 
ATOM   50   N NE2 . HIS A 1 6   ? -7.164  -13.161 -18.347 1.00 45.54 ? 12  HIS B NE2 1 
ATOM   51   N N   . HIS A 1 7   ? -10.103 -10.594 -21.149 1.00 24.70 ? 13  HIS B N   1 
ATOM   52   C CA  . HIS A 1 7   ? -10.735 -11.127 -22.390 1.00 20.56 ? 13  HIS B CA  1 
ATOM   53   C C   . HIS A 1 7   ? -11.863 -10.211 -22.849 1.00 19.13 ? 13  HIS B C   1 
ATOM   54   O O   . HIS A 1 7   ? -12.690 -10.679 -23.633 1.00 16.76 ? 13  HIS B O   1 
ATOM   55   C CB  . HIS A 1 7   ? -11.280 -12.527 -22.144 1.00 20.36 ? 13  HIS B CB  1 
ATOM   56   C CG  . HIS A 1 7   ? -10.208 -13.488 -21.755 1.00 21.13 ? 13  HIS B CG  1 
ATOM   57   N ND1 . HIS A 1 7   ? -9.193  -13.835 -22.637 1.00 21.04 ? 13  HIS B ND1 1 
ATOM   58   C CD2 . HIS A 1 7   ? -10.028 -14.194 -20.625 1.00 22.82 ? 13  HIS B CD2 1 
ATOM   59   C CE1 . HIS A 1 7   ? -8.386  -14.687 -22.025 1.00 21.46 ? 13  HIS B CE1 1 
ATOM   60   N NE2 . HIS A 1 7   ? -8.866  -14.931 -20.795 1.00 24.44 ? 13  HIS B NE2 1 
ATOM   61   N N   . MET A 1 8   ? -11.928 -8.996  -22.331 1.00 19.18 ? 14  MET B N   1 
ATOM   62   C CA  . MET A 1 8   ? -12.975 -8.011  -22.698 1.00 21.60 ? 14  MET B CA  1 
ATOM   63   C C   . MET A 1 8   ? -13.068 -7.861  -24.217 1.00 21.24 ? 14  MET B C   1 
ATOM   64   O O   . MET A 1 8   ? -12.032 -7.743  -24.931 1.00 23.86 ? 14  MET B O   1 
ATOM   65   C CB  . MET A 1 8   ? -12.674 -6.646  -22.073 1.00 26.31 ? 14  MET B CB  1 
ATOM   66   C CG  . MET A 1 8   ? -13.704 -5.557  -22.387 1.00 32.74 ? 14  MET B CG  1 
ATOM   67   S SD  . MET A 1 8   ? -15.308 -5.729  -21.522 1.00 44.03 ? 14  MET B SD  1 
ATOM   68   C CE  . MET A 1 8   ? -14.856 -5.152  -19.893 1.00 30.99 ? 14  MET B CE  1 
ATOM   69   N N   . VAL A 1 9   ? -14.289 -7.833  -24.731 1.00 17.60 ? 15  VAL B N   1 
ATOM   70   C CA  . VAL A 1 9   ? -14.601 -7.599  -26.166 1.00 18.54 ? 15  VAL B CA  1 
ATOM   71   C C   . VAL A 1 9   ? -15.585 -6.419  -26.248 1.00 19.31 ? 15  VAL B C   1 
ATOM   72   O O   . VAL A 1 9   ? -16.440 -6.243  -25.346 1.00 18.91 ? 15  VAL B O   1 
ATOM   73   C CB  . VAL A 1 9   ? -15.110 -8.853  -26.898 1.00 19.30 ? 15  VAL B CB  1 
ATOM   74   C CG1 . VAL A 1 9   ? -13.986 -9.869  -27.028 1.00 22.03 ? 15  VAL B CG1 1 
ATOM   75   C CG2 . VAL A 1 9   ? -16.310 -9.496  -26.229 1.00 20.25 ? 15  VAL B CG2 1 
ATOM   76   N N   . HIS A 1 10  ? -15.489 -5.642  -27.325 1.00 19.08 ? 16  HIS B N   1 
ATOM   77   C CA  . HIS A 1 10  ? -16.386 -4.494  -27.592 1.00 18.96 ? 16  HIS B CA  1 
ATOM   78   C C   . HIS A 1 10  ? -17.602 -5.013  -28.346 1.00 18.78 ? 16  HIS B C   1 
ATOM   79   O O   . HIS A 1 10  ? -17.491 -5.407  -29.510 1.00 22.26 ? 16  HIS B O   1 
ATOM   80   C CB  . HIS A 1 10  ? -15.662 -3.414  -28.406 1.00 20.34 ? 16  HIS B CB  1 
ATOM   81   C CG  . HIS A 1 10  ? -16.426 -2.150  -28.595 1.00 25.96 ? 16  HIS B CG  1 
ATOM   82   N ND1 . HIS A 1 10  ? -16.535 -1.211  -27.599 1.00 29.02 ? 16  HIS B ND1 1 
ATOM   83   C CD2 . HIS A 1 10  ? -17.117 -1.676  -29.657 1.00 29.70 ? 16  HIS B CD2 1 
ATOM   84   C CE1 . HIS A 1 10  ? -17.252 -0.186  -28.039 1.00 26.66 ? 16  HIS B CE1 1 
ATOM   85   N NE2 . HIS A 1 10  ? -17.637 -0.459  -29.306 1.00 31.56 ? 16  HIS B NE2 1 
ATOM   86   N N   . ILE A 1 11  ? -18.722 -5.098  -27.646 1.00 14.64 ? 17  ILE B N   1 
ATOM   87   C CA  . ILE A 1 11  ? -19.971 -5.610  -28.253 1.00 15.49 ? 17  ILE B CA  1 
ATOM   88   C C   . ILE A 1 11  ? -20.802 -4.425  -28.778 1.00 15.62 ? 17  ILE B C   1 
ATOM   89   O O   . ILE A 1 11  ? -20.847 -3.405  -28.124 1.00 15.53 ? 17  ILE B O   1 
ATOM   90   C CB  . ILE A 1 11  ? -20.768 -6.434  -27.226 1.00 15.00 ? 17  ILE B CB  1 
ATOM   91   C CG1 . ILE A 1 11  ? -19.955 -7.641  -26.748 1.00 15.69 ? 17  ILE B CG1 1 
ATOM   92   C CG2 . ILE A 1 11  ? -22.111 -6.854  -27.802 1.00 14.47 ? 17  ILE B CG2 1 
ATOM   93   C CD1 . ILE A 1 11  ? -19.463 -8.565  -27.843 1.00 16.34 ? 17  ILE B CD1 1 
ATOM   94   N N   . THR A 1 12  ? -21.408 -4.610  -29.934 1.00 14.38 ? 18  THR B N   1 
ATOM   95   C CA  . THR A 1 12  ? -22.389 -3.636  -30.492 1.00 15.53 ? 18  THR B CA  1 
ATOM   96   C C   . THR A 1 12  ? -23.635 -4.397  -30.890 1.00 15.63 ? 18  THR B C   1 
ATOM   97   O O   . THR A 1 12  ? -23.590 -5.613  -31.168 1.00 16.75 ? 18  THR B O   1 
ATOM   98   C CB  . THR A 1 12  ? -21.810 -2.834  -31.660 1.00 17.71 ? 18  THR B CB  1 
ATOM   99   O OG1 . THR A 1 12  ? -21.455 -3.727  -32.696 1.00 19.04 ? 18  THR B OG1 1 
ATOM   100  C CG2 . THR A 1 12  ? -20.645 -1.941  -31.274 1.00 20.09 ? 18  THR B CG2 1 
ATOM   101  N N   . LEU A 1 13  ? -24.776 -3.695  -30.846 1.00 13.89 ? 19  LEU B N   1 
ATOM   102  C CA  . LEU A 1 13  ? -26.088 -4.328  -31.141 1.00 14.08 ? 19  LEU B CA  1 
ATOM   103  C C   . LEU A 1 13  ? -26.362 -4.315  -32.644 1.00 13.87 ? 19  LEU B C   1 
ATOM   104  O O   . LEU A 1 13  ? -26.036 -3.301  -33.319 1.00 15.83 ? 19  LEU B O   1 
ATOM   105  C CB  . LEU A 1 13  ? -27.150 -3.560  -30.372 1.00 14.06 ? 19  LEU B CB  1 
ATOM   106  C CG  . LEU A 1 13  ? -26.943 -3.643  -28.874 1.00 14.20 ? 19  LEU B CG  1 
ATOM   107  C CD1 . LEU A 1 13  ? -27.890 -2.727  -28.122 1.00 16.05 ? 19  LEU B CD1 1 
ATOM   108  C CD2 . LEU A 1 13  ? -27.078 -5.078  -28.379 1.00 16.27 ? 19  LEU B CD2 1 
ATOM   109  N N   . ASP A 1 14  ? -26.962 -5.349  -33.144 1.00 12.83 ? 20  ASP B N   1 
ATOM   110  C CA  . ASP A 1 14  ? -27.340 -5.524  -34.574 1.00 13.76 ? 20  ASP B CA  1 
ATOM   111  C C   . ASP A 1 14  ? -28.833 -5.135  -34.740 1.00 14.49 ? 20  ASP B C   1 
ATOM   112  O O   . ASP A 1 14  ? -29.719 -5.937  -34.451 1.00 13.50 ? 20  ASP B O   1 
ATOM   113  C CB  . ASP A 1 14  ? -27.057 -6.942  -35.078 1.00 14.26 ? 20  ASP B CB  1 
ATOM   114  C CG  . ASP A 1 14  ? -27.379 -7.199  -36.538 1.00 18.48 ? 20  ASP B CG  1 
ATOM   115  O OD1 . ASP A 1 14  ? -28.032 -6.316  -37.149 1.00 17.64 ? 20  ASP B OD1 1 
ATOM   116  O OD2 . ASP A 1 14  ? -27.097 -8.304  -37.039 1.00 18.45 ? 20  ASP B OD2 1 
ATOM   117  N N   A ARG A 1 15  ? -29.055 -3.901  -35.220 0.25 15.67 ? 21  ARG B N   1 
ATOM   118  N N   B ARG A 1 15  ? -29.081 -3.912  -35.221 0.25 15.79 ? 21  ARG B N   1 
ATOM   119  C CA  A ARG A 1 15  ? -30.383 -3.280  -35.518 0.25 16.88 ? 21  ARG B CA  1 
ATOM   120  C CA  B ARG A 1 15  ? -30.446 -3.336  -35.398 0.25 16.92 ? 21  ARG B CA  1 
ATOM   121  C C   A ARG A 1 15  ? -31.301 -4.240  -36.273 0.25 16.02 ? 21  ARG B C   1 
ATOM   122  C C   B ARG A 1 15  ? -31.323 -4.239  -36.277 0.25 16.11 ? 21  ARG B C   1 
ATOM   123  O O   A ARG A 1 15  ? -32.519 -4.251  -36.006 0.25 15.82 ? 21  ARG B O   1 
ATOM   124  O O   B ARG A 1 15  ? -32.549 -4.245  -36.071 0.25 15.82 ? 21  ARG B O   1 
ATOM   125  C CB  A ARG A 1 15  ? -30.218 -2.050  -36.424 0.25 18.42 ? 21  ARG B CB  1 
ATOM   126  C CB  B ARG A 1 15  ? -30.366 -1.932  -36.018 0.25 18.99 ? 21  ARG B CB  1 
ATOM   127  C CG  A ARG A 1 15  ? -29.274 -0.991  -35.881 0.25 20.49 ? 21  ARG B CG  1 
ATOM   128  C CG  B ARG A 1 15  ? -29.812 -0.857  -35.096 0.25 20.85 ? 21  ARG B CG  1 
ATOM   129  C CD  A ARG A 1 15  ? -29.342 0.312   -36.660 0.25 20.83 ? 21  ARG B CD  1 
ATOM   130  C CD  B ARG A 1 15  ? -28.428 -0.363  -35.491 0.25 23.68 ? 21  ARG B CD  1 
ATOM   131  N NE  A ARG A 1 15  ? -28.791 1.359   -35.818 0.25 21.06 ? 21  ARG B NE  1 
ATOM   132  N NE  B ARG A 1 15  ? -28.395 0.672   -36.531 0.25 24.75 ? 21  ARG B NE  1 
ATOM   133  C CZ  A ARG A 1 15  ? -29.474 1.937   -34.846 0.25 20.84 ? 21  ARG B CZ  1 
ATOM   134  C CZ  B ARG A 1 15  ? -28.031 0.480   -37.803 0.25 27.79 ? 21  ARG B CZ  1 
ATOM   135  N NH1 A ARG A 1 15  ? -30.733 1.596   -34.657 0.25 22.16 ? 21  ARG B NH1 1 
ATOM   136  N NH1 B ARG A 1 15  ? -27.678 -0.716  -38.239 0.25 28.42 ? 21  ARG B NH1 1 
ATOM   137  N NH2 A ARG A 1 15  ? -28.912 2.855   -34.087 0.25 22.18 ? 21  ARG B NH2 1 
ATOM   138  N NH2 B ARG A 1 15  ? -28.039 1.492   -38.650 0.25 29.01 ? 21  ARG B NH2 1 
ATOM   139  N N   . ASN A 1 16  ? -30.739 -4.978  -37.224 1.00 15.74 ? 22  ASN B N   1 
ATOM   140  C CA  . ASN A 1 16  ? -31.520 -5.805  -38.155 1.00 17.08 ? 22  ASN B CA  1 
ATOM   141  C C   . ASN A 1 16  ? -32.201 -6.962  -37.447 1.00 15.29 ? 22  ASN B C   1 
ATOM   142  O O   . ASN A 1 16  ? -33.173 -7.497  -37.957 1.00 14.75 ? 22  ASN B O   1 
ATOM   143  C CB  . ASN A 1 16  ? -30.644 -6.227  -39.342 1.00 20.86 ? 22  ASN B CB  1 
ATOM   144  C CG  . ASN A 1 16  ? -30.465 -5.097  -40.336 1.00 27.73 ? 22  ASN B CG  1 
ATOM   145  O OD1 . ASN A 1 16  ? -31.236 -4.134  -40.355 1.00 35.34 ? 22  ASN B OD1 1 
ATOM   146  N ND2 . ASN A 1 16  ? -29.425 -5.195  -41.145 1.00 39.31 ? 22  ASN B ND2 1 
ATOM   147  N N   . THR A 1 17  ? -31.665 -7.385  -36.278 1.00 13.27 ? 23  THR B N   1 
ATOM   148  C CA  . THR A 1 17  ? -32.210 -8.509  -35.503 1.00 12.87 ? 23  THR B CA  1 
ATOM   149  C C   . THR A 1 17  ? -33.264 -8.042  -34.499 1.00 12.10 ? 23  THR B C   1 
ATOM   150  O O   . THR A 1 17  ? -33.921 -8.877  -33.885 1.00 12.07 ? 23  THR B O   1 
ATOM   151  C CB  . THR A 1 17  ? -31.123 -9.312  -34.770 1.00 12.80 ? 23  THR B CB  1 
ATOM   152  O OG1 . THR A 1 17  ? -30.573 -8.514  -33.724 1.00 13.28 ? 23  THR B OG1 1 
ATOM   153  C CG2 . THR A 1 17  ? -30.087 -9.826  -35.759 1.00 13.25 ? 23  THR B CG2 1 
ATOM   154  N N   . ALA A 1 18  ? -33.339 -6.743  -34.270 1.00 11.98 ? 24  ALA B N   1 
ATOM   155  C CA  . ALA A 1 18  ? -34.149 -6.187  -33.160 1.00 12.03 ? 24  ALA B CA  1 
ATOM   156  C C   . ALA A 1 18  ? -35.639 -6.386  -33.405 1.00 12.52 ? 24  ALA B C   1 
ATOM   157  O O   . ALA A 1 18  ? -36.148 -6.114  -34.531 1.00 13.77 ? 24  ALA B O   1 
ATOM   158  C CB  . ALA A 1 18  ? -33.841 -4.738  -32.964 1.00 13.26 ? 24  ALA B CB  1 
ATOM   159  N N   . ASN A 1 19  ? -36.376 -6.701  -32.373 1.00 12.44 ? 25  ASN B N   1 
ATOM   160  C CA  . ASN A 1 19  ? -37.837 -6.498  -32.397 1.00 12.07 ? 25  ASN B CA  1 
ATOM   161  C C   . ASN A 1 19  ? -38.113 -5.059  -32.854 1.00 11.74 ? 25  ASN B C   1 
ATOM   162  O O   . ASN A 1 19  ? -37.409 -4.127  -32.473 1.00 11.40 ? 25  ASN B O   1 
ATOM   163  C CB  . ASN A 1 19  ? -38.383 -6.835  -31.022 1.00 12.86 ? 25  ASN B CB  1 
ATOM   164  C CG  . ASN A 1 19  ? -39.859 -6.570  -30.926 1.00 14.65 ? 25  ASN B CG  1 
ATOM   165  O OD1 . ASN A 1 19  ? -40.302 -5.453  -30.709 1.00 14.51 ? 25  ASN B OD1 1 
ATOM   166  N ND2 . ASN A 1 19  ? -40.603 -7.621  -31.118 1.00 18.38 ? 25  ASN B ND2 1 
ATOM   167  N N   . SER A 1 20  ? -39.189 -4.895  -33.624 1.00 11.62 ? 26  SER B N   1 
ATOM   168  C CA  . SER A 1 20  ? -39.559 -3.621  -34.268 1.00 12.09 ? 26  SER B CA  1 
ATOM   169  C C   . SER A 1 20  ? -39.946 -2.533  -33.269 1.00 12.53 ? 26  SER B C   1 
ATOM   170  O O   . SER A 1 20  ? -40.047 -1.379  -33.724 1.00 13.66 ? 26  SER B O   1 
ATOM   171  C CB  . SER A 1 20  ? -40.689 -3.837  -35.248 1.00 13.49 ? 26  SER B CB  1 
ATOM   172  O OG  . SER A 1 20  ? -41.819 -4.324  -34.559 1.00 16.55 ? 26  SER B OG  1 
ATOM   173  N N   . TRP A 1 21  ? -40.136 -2.819  -31.987 1.00 10.90 ? 27  TRP B N   1 
ATOM   174  C CA  . TRP A 1 21  ? -40.424 -1.783  -30.970 1.00 12.06 ? 27  TRP B CA  1 
ATOM   175  C C   . TRP A 1 21  ? -39.172 -1.266  -30.265 1.00 12.17 ? 27  TRP B C   1 
ATOM   176  O O   . TRP A 1 21  ? -39.297 -0.354  -29.461 1.00 12.98 ? 27  TRP B O   1 
ATOM   177  C CB  . TRP A 1 21  ? -41.430 -2.306  -29.972 1.00 12.63 ? 27  TRP B CB  1 
ATOM   178  C CG  . TRP A 1 21  ? -42.829 -2.404  -30.521 1.00 13.42 ? 27  TRP B CG  1 
ATOM   179  C CD1 . TRP A 1 21  ? -43.240 -2.934  -31.710 1.00 13.85 ? 27  TRP B CD1 1 
ATOM   180  C CD2 . TRP A 1 21  ? -44.011 -1.978  -29.850 1.00 15.01 ? 27  TRP B CD2 1 
ATOM   181  N NE1 . TRP A 1 21  ? -44.607 -2.816  -31.838 1.00 16.35 ? 27  TRP B NE1 1 
ATOM   182  C CE2 . TRP A 1 21  ? -45.097 -2.290  -30.692 1.00 14.93 ? 27  TRP B CE2 1 
ATOM   183  C CE3 . TRP A 1 21  ? -44.250 -1.364  -28.617 1.00 16.68 ? 27  TRP B CE3 1 
ATOM   184  C CZ2 . TRP A 1 21  ? -46.417 -1.993  -30.319 1.00 17.28 ? 27  TRP B CZ2 1 
ATOM   185  C CZ3 . TRP A 1 21  ? -45.557 -1.084  -28.245 1.00 19.99 ? 27  TRP B CZ3 1 
ATOM   186  C CH2 . TRP A 1 21  ? -46.615 -1.421  -29.080 1.00 20.38 ? 27  TRP B CH2 1 
ATOM   187  N N   . LEU A 1 22  ? -38.002 -1.868  -30.554 1.00 11.76 ? 28  LEU B N   1 
ATOM   188  C CA  . LEU A 1 22  ? -36.778 -1.468  -29.831 1.00 12.06 ? 28  LEU B CA  1 
ATOM   189  C C   . LEU A 1 22  ? -36.169 -0.231  -30.471 1.00 12.46 ? 28  LEU B C   1 
ATOM   190  O O   . LEU A 1 22  ? -36.202 -0.048  -31.675 1.00 13.05 ? 28  LEU B O   1 
ATOM   191  C CB  . LEU A 1 22  ? -35.767 -2.612  -29.838 1.00 11.01 ? 28  LEU B CB  1 
ATOM   192  C CG  . LEU A 1 22  ? -36.212 -3.875  -29.102 1.00 12.01 ? 28  LEU B CG  1 
ATOM   193  C CD1 . LEU A 1 22  ? -35.101 -4.918  -29.100 1.00 12.53 ? 28  LEU B CD1 1 
ATOM   194  C CD2 . LEU A 1 22  ? -36.645 -3.593  -27.692 1.00 13.30 ? 28  LEU B CD2 1 
ATOM   195  N N   . ILE A 1 23  ? -35.537 0.545   -29.615 1.00 11.64 ? 29  ILE B N   1 
ATOM   196  C CA  . ILE A 1 23  ? -34.744 1.747   -29.993 1.00 13.76 ? 29  ILE B CA  1 
ATOM   197  C C   . ILE A 1 23  ? -33.310 1.527   -29.551 1.00 14.10 ? 29  ILE B C   1 
ATOM   198  O O   . ILE A 1 23  ? -33.041 1.426   -28.329 1.00 14.21 ? 29  ILE B O   1 
ATOM   199  C CB  . ILE A 1 23  ? -35.300 3.002   -29.370 1.00 14.43 ? 29  ILE B CB  1 
ATOM   200  C CG1 . ILE A 1 23  ? -36.769 3.261   -29.774 1.00 15.31 ? 29  ILE B CG1 1 
ATOM   201  C CG2 . ILE A 1 23  ? -34.424 4.211   -29.738 1.00 16.29 ? 29  ILE B CG2 1 
ATOM   202  C CD1 . ILE A 1 23  ? -37.434 4.321   -28.999 1.00 17.41 ? 29  ILE B CD1 1 
ATOM   203  N N   . ILE A 1 24  ? -32.461 1.400   -30.547 1.00 15.40 ? 30  ILE B N   1 
ATOM   204  C CA  . ILE A 1 24  ? -31.004 1.214   -30.321 1.00 15.72 ? 30  ILE B CA  1 
ATOM   205  C C   . ILE A 1 24  ? -30.308 2.545   -30.509 1.00 17.42 ? 30  ILE B C   1 
ATOM   206  O O   . ILE A 1 24  ? -30.573 3.282   -31.520 1.00 18.05 ? 30  ILE B O   1 
ATOM   207  C CB  . ILE A 1 24  ? -30.462 0.148   -31.254 1.00 16.78 ? 30  ILE B CB  1 
ATOM   208  C CG1 . ILE A 1 24  ? -31.013 -1.220  -30.861 1.00 19.96 ? 30  ILE B CG1 1 
ATOM   209  C CG2 . ILE A 1 24  ? -28.931 0.113   -31.233 1.00 17.70 ? 30  ILE B CG2 1 
ATOM   210  C CD1 . ILE A 1 24  ? -30.811 -2.250  -31.822 1.00 22.26 ? 30  ILE B CD1 1 
ATOM   211  N N   . SER A 1 25  ? -29.422 2.899   -29.620 1.00 16.58 ? 31  SER B N   1 
ATOM   212  C CA  . SER A 1 25  ? -28.725 4.193   -29.685 1.00 17.15 ? 31  SER B CA  1 
ATOM   213  C C   . SER A 1 25  ? -27.798 4.260   -30.908 1.00 15.56 ? 31  SER B C   1 
ATOM   214  O O   . SER A 1 25  ? -27.432 3.267   -31.491 1.00 16.56 ? 31  SER B O   1 
ATOM   215  C CB  . SER A 1 25  ? -27.987 4.393   -28.418 1.00 17.42 ? 31  SER B CB  1 
ATOM   216  O OG  . SER A 1 25  ? -27.012 3.358   -28.256 1.00 17.12 ? 31  SER B OG  1 
ATOM   217  N N   . LYS A 1 26  ? -27.444 5.502   -31.280 1.00 18.62 ? 32  LYS B N   1 
ATOM   218  C CA  . LYS A 1 26  ? -26.530 5.766   -32.423 1.00 19.53 ? 32  LYS B CA  1 
ATOM   219  C C   . LYS A 1 26  ? -25.247 4.936   -32.296 1.00 17.40 ? 32  LYS B C   1 
ATOM   220  O O   . LYS A 1 26  ? -24.801 4.418   -33.317 1.00 20.19 ? 32  LYS B O   1 
ATOM   221  C CB  . LYS A 1 26  ? -26.173 7.254   -32.469 1.00 22.86 ? 32  LYS B CB  1 
ATOM   222  C CG  . LYS A 1 26  ? -25.293 7.626   -33.640 1.00 25.17 ? 32  LYS B CG  1 
ATOM   223  C CD  . LYS A 1 26  ? -25.435 9.085   -33.973 1.00 25.46 ? 32  LYS B CD  1 
ATOM   224  C CE  . LYS A 1 26  ? -25.103 9.953   -32.788 1.00 30.42 ? 32  LYS B CE  1 
ATOM   225  N NZ  . LYS A 1 26  ? -25.371 11.366  -33.112 1.00 32.19 ? 32  LYS B NZ  1 
ATOM   226  N N   . ASP A 1 27  ? -24.669 4.873   -31.093 1.00 18.05 ? 33  ASP B N   1 
ATOM   227  C CA  . ASP A 1 27  ? -23.389 4.140   -30.873 1.00 17.32 ? 33  ASP B CA  1 
ATOM   228  C C   . ASP A 1 27  ? -23.620 2.618   -30.846 1.00 15.42 ? 33  ASP B C   1 
ATOM   229  O O   . ASP A 1 27  ? -22.610 1.892   -30.729 1.00 16.06 ? 33  ASP B O   1 
ATOM   230  C CB  . ASP A 1 27  ? -22.648 4.639   -29.641 1.00 18.54 ? 33  ASP B CB  1 
ATOM   231  C CG  . ASP A 1 27  ? -23.314 4.393   -28.306 1.00 19.40 ? 33  ASP B CG  1 
ATOM   232  O OD1 . ASP A 1 27  ? -24.397 3.741   -28.288 1.00 19.17 ? 33  ASP B OD1 1 
ATOM   233  O OD2 . ASP A 1 27  ? -22.702 4.813   -27.303 1.00 22.50 ? 33  ASP B OD2 1 
ATOM   234  N N   . ARG A 1 28  ? -24.845 2.133   -30.959 1.00 15.05 ? 34  ARG B N   1 
ATOM   235  C CA  . ARG A 1 28  ? -25.217 0.701   -30.940 1.00 14.98 ? 34  ARG B CA  1 
ATOM   236  C C   . ARG A 1 28  ? -24.765 0.058   -29.611 1.00 12.94 ? 34  ARG B C   1 
ATOM   237  O O   . ARG A 1 28  ? -24.602 -1.197  -29.601 1.00 13.85 ? 34  ARG B O   1 
ATOM   238  C CB  . ARG A 1 28  ? -24.680 0.013   -32.197 1.00 18.97 ? 34  ARG B CB  1 
ATOM   239  C CG  . ARG A 1 28  ? -25.303 0.615   -33.454 1.00 23.20 ? 34  ARG B CG  1 
ATOM   240  C CD  . ARG A 1 28  ? -24.933 -0.013  -34.763 1.00 31.19 ? 34  ARG B CD  1 
ATOM   241  N NE  . ARG A 1 28  ? -23.501 -0.082  -34.938 1.00 37.83 ? 34  ARG B NE  1 
ATOM   242  C CZ  . ARG A 1 28  ? -22.751 -1.186  -34.812 1.00 48.31 ? 34  ARG B CZ  1 
ATOM   243  N NH1 . ARG A 1 28  ? -23.290 -2.376  -34.535 1.00 47.68 ? 34  ARG B NH1 1 
ATOM   244  N NH2 . ARG A 1 28  ? -21.442 -1.091  -34.995 1.00 52.61 ? 34  ARG B NH2 1 
ATOM   245  N N   . ARG A 1 29  ? -24.722 0.805   -28.544 1.00 11.97 ? 35  ARG B N   1 
ATOM   246  C CA  . ARG A 1 29  ? -24.332 0.278   -27.215 1.00 13.22 ? 35  ARG B CA  1 
ATOM   247  C C   . ARG A 1 29  ? -25.476 0.284   -26.206 1.00 13.63 ? 35  ARG B C   1 
ATOM   248  O O   . ARG A 1 29  ? -25.296 -0.286  -25.118 1.00 14.33 ? 35  ARG B O   1 
ATOM   249  C CB  . ARG A 1 29  ? -23.148 1.052   -26.631 1.00 14.14 ? 35  ARG B CB  1 
ATOM   250  C CG  . ARG A 1 29  ? -21.908 0.938   -27.503 1.00 16.46 ? 35  ARG B CG  1 
ATOM   251  C CD  . ARG A 1 29  ? -21.056 -0.282  -27.300 1.00 18.45 ? 35  ARG B CD  1 
ATOM   252  N NE  . ARG A 1 29  ? -20.298 -0.102  -26.061 1.00 20.04 ? 35  ARG B NE  1 
ATOM   253  C CZ  . ARG A 1 29  ? -19.562 -1.044  -25.469 1.00 18.90 ? 35  ARG B CZ  1 
ATOM   254  N NH1 . ARG A 1 29  ? -19.489 -2.240  -25.993 1.00 19.82 ? 35  ARG B NH1 1 
ATOM   255  N NH2 . ARG A 1 29  ? -18.928 -0.763  -24.358 1.00 19.77 ? 35  ARG B NH2 1 
ATOM   256  N N   . GLN A 1 30  ? -26.635 0.851   -26.502 1.00 12.62 ? 36  GLN B N   1 
ATOM   257  C CA  . GLN A 1 30  ? -27.803 0.871   -25.606 1.00 14.08 ? 36  GLN B CA  1 
ATOM   258  C C   . GLN A 1 30  ? -29.057 0.480   -26.371 1.00 12.33 ? 36  GLN B C   1 
ATOM   259  O O   . GLN A 1 30  ? -29.170 0.726   -27.596 1.00 13.52 ? 36  GLN B O   1 
ATOM   260  C CB  . GLN A 1 30  ? -28.033 2.258   -25.005 1.00 16.57 ? 36  GLN B CB  1 
ATOM   261  C CG  . GLN A 1 30  ? -26.789 2.875   -24.426 1.00 19.55 ? 36  GLN B CG  1 
ATOM   262  C CD  . GLN A 1 30  ? -27.149 4.116   -23.643 1.00 23.24 ? 36  GLN B CD  1 
ATOM   263  O OE1 . GLN A 1 30  ? -28.310 4.352   -23.290 1.00 25.27 ? 36  GLN B OE1 1 
ATOM   264  N NE2 . GLN A 1 30  ? -26.143 4.927   -23.396 1.00 27.16 ? 36  GLN B NE2 1 
ATOM   265  N N   . VAL A 1 31  ? -29.987 -0.137  -25.662 1.00 11.92 ? 37  VAL B N   1 
ATOM   266  C CA  . VAL A 1 31  ? -31.287 -0.519  -26.263 1.00 12.08 ? 37  VAL B CA  1 
ATOM   267  C C   . VAL A 1 31  ? -32.363 -0.336  -25.208 1.00 11.60 ? 37  VAL B C   1 
ATOM   268  O O   . VAL A 1 31  ? -32.187 -0.716  -24.050 1.00 11.44 ? 37  VAL B O   1 
ATOM   269  C CB  . VAL A 1 31  ? -31.238 -1.929  -26.861 1.00 11.36 ? 37  VAL B CB  1 
ATOM   270  C CG1 . VAL A 1 31  ? -30.818 -3.002  -25.854 1.00 11.37 ? 37  VAL B CG1 1 
ATOM   271  C CG2 . VAL A 1 31  ? -32.553 -2.295  -27.528 1.00 12.67 ? 37  VAL B CG2 1 
ATOM   272  N N   . ARG A 1 32  ? -33.510 0.186   -25.623 1.00 12.16 ? 38  ARG B N   1 
ATOM   273  C CA  . ARG A 1 32  ? -34.687 0.245   -24.736 1.00 12.95 ? 38  ARG B CA  1 
ATOM   274  C C   . ARG A 1 32  ? -35.949 -0.054  -25.552 1.00 12.95 ? 38  ARG B C   1 
ATOM   275  O O   . ARG A 1 32  ? -35.954 0.018   -26.780 1.00 11.60 ? 38  ARG B O   1 
ATOM   276  C CB  . ARG A 1 32  ? -34.817 1.601   -24.049 1.00 15.00 ? 38  ARG B CB  1 
ATOM   277  C CG  . ARG A 1 32  ? -35.106 2.719   -25.027 1.00 17.11 ? 38  ARG B CG  1 
ATOM   278  C CD  . ARG A 1 32  ? -35.047 4.057   -24.283 1.00 19.86 ? 38  ARG B CD  1 
ATOM   279  N NE  . ARG A 1 32  ? -35.356 5.176   -25.156 1.00 24.66 ? 38  ARG B NE  1 
ATOM   280  C CZ  . ARG A 1 32  ? -36.565 5.648   -25.407 1.00 21.41 ? 38  ARG B CZ  1 
ATOM   281  N NH1 . ARG A 1 32  ? -37.655 5.102   -24.905 1.00 24.83 ? 38  ARG B NH1 1 
ATOM   282  N NH2 . ARG A 1 32  ? -36.668 6.685   -26.237 1.00 27.35 ? 38  ARG B NH2 1 
ATOM   283  N N   A MET A 1 33  ? -37.000 -0.368  -24.798 0.25 11.99 ? 39  MET B N   1 
ATOM   284  N N   B MET A 1 33  ? -37.021 -0.468  -24.874 0.25 13.30 ? 39  MET B N   1 
ATOM   285  C CA  A MET A 1 33  ? -38.368 -0.601  -25.323 0.25 13.02 ? 39  MET B CA  1 
ATOM   286  C CA  B MET A 1 33  ? -38.298 -0.760  -25.589 0.25 14.75 ? 39  MET B CA  1 
ATOM   287  C C   A MET A 1 33  ? -38.975 0.752   -25.712 0.25 12.79 ? 39  MET B C   1 
ATOM   288  C C   B MET A 1 33  ? -39.106 0.535   -25.698 0.25 13.73 ? 39  MET B C   1 
ATOM   289  O O   A MET A 1 33  ? -38.941 1.689   -24.913 0.25 12.87 ? 39  MET B O   1 
ATOM   290  O O   B MET A 1 33  ? -39.437 1.121   -24.618 0.25 12.84 ? 39  MET B O   1 
ATOM   291  C CB  A MET A 1 33  ? -39.206 -1.305  -24.250 0.25 13.21 ? 39  MET B CB  1 
ATOM   292  C CB  B MET A 1 33  ? -39.162 -1.834  -24.918 0.25 17.24 ? 39  MET B CB  1 
ATOM   293  C CG  A MET A 1 33  ? -40.563 -1.826  -24.734 0.25 14.47 ? 39  MET B CG  1 
ATOM   294  C CG  B MET A 1 33  ? -40.487 -2.090  -25.685 0.25 19.73 ? 39  MET B CG  1 
ATOM   295  S SD  A MET A 1 33  ? -40.460 -2.892  -26.237 0.25 16.81 ? 39  MET B SD  1 
ATOM   296  S SD  B MET A 1 33  ? -41.325 -3.594  -25.123 0.25 22.44 ? 39  MET B SD  1 
ATOM   297  C CE  A MET A 1 33  ? -42.067 -3.685  -26.239 0.25 16.31 ? 39  MET B CE  1 
ATOM   298  C CE  B MET A 1 33  ? -42.672 -3.640  -26.304 0.25 22.25 ? 39  MET B CE  1 
ATOM   299  N N   . GLY A 1 34  ? -39.408 0.902   -26.955 1.00 13.53 ? 40  GLY B N   1 
ATOM   300  C CA  . GLY A 1 34  ? -40.230 2.074   -27.326 1.00 15.32 ? 40  GLY B CA  1 
ATOM   301  C C   . GLY A 1 34  ? -41.682 1.875   -26.914 1.00 17.08 ? 40  GLY B C   1 
ATOM   302  O O   . GLY A 1 34  ? -42.096 0.786   -26.487 1.00 17.15 ? 40  GLY B O   1 
ATOM   303  N N   . ASP A 1 35  ? -42.463 2.966   -26.969 1.00 20.80 ? 41  ASP B N   1 
ATOM   304  C CA  . ASP A 1 35  ? -43.905 2.902   -26.580 1.00 23.91 ? 41  ASP B CA  1 
ATOM   305  C C   . ASP A 1 35  ? -44.739 2.536   -27.830 1.00 22.85 ? 41  ASP B C   1 
ATOM   306  O O   . ASP A 1 35  ? -45.973 2.419   -27.691 1.00 22.76 ? 41  ASP B O   1 
ATOM   307  C CB  . ASP A 1 35  ? -44.359 4.187   -25.853 1.00 29.67 ? 41  ASP B CB  1 
ATOM   308  C CG  . ASP A 1 35  ? -43.989 4.305   -24.364 1.00 39.39 ? 41  ASP B CG  1 
ATOM   309  O OD1 . ASP A 1 35  ? -43.876 3.260   -23.669 1.00 40.34 ? 41  ASP B OD1 1 
ATOM   310  O OD2 . ASP A 1 35  ? -43.838 5.455   -23.875 1.00 41.70 ? 41  ASP B OD2 1 
ATOM   311  N N   . THR A 1 36  ? -44.118 2.248   -28.974 1.00 17.35 ? 42  THR B N   1 
ATOM   312  C CA  . THR A 1 36  ? -44.813 1.957   -30.270 1.00 17.19 ? 42  THR B CA  1 
ATOM   313  C C   . THR A 1 36  ? -43.871 1.281   -31.277 1.00 14.48 ? 42  THR B C   1 
ATOM   314  O O   . THR A 1 36  ? -42.589 1.240   -31.074 1.00 14.36 ? 42  THR B O   1 
ATOM   315  C CB  . THR A 1 36  ? -45.364 3.294   -30.762 1.00 18.93 ? 42  THR B CB  1 
ATOM   316  O OG1 . THR A 1 36  ? -46.241 3.027   -31.831 1.00 19.73 ? 42  THR B OG1 1 
ATOM   317  C CG2 . THR A 1 36  ? -44.284 4.246   -31.216 1.00 20.54 ? 42  THR B CG2 1 
ATOM   318  N N   . HIS A 1 37  ? -44.372 0.801   -32.412 1.00 14.73 ? 43  HIS B N   1 
ATOM   319  C CA  . HIS A 1 37  ? -43.546 0.316   -33.547 1.00 13.62 ? 43  HIS B CA  1 
ATOM   320  C C   . HIS A 1 37  ? -42.589 1.418   -34.005 1.00 15.88 ? 43  HIS B C   1 
ATOM   321  O O   . HIS A 1 37  ? -43.056 2.567   -34.219 1.00 15.49 ? 43  HIS B O   1 
ATOM   322  C CB  . HIS A 1 37  ? -44.483 -0.181  -34.665 1.00 13.62 ? 43  HIS B CB  1 
ATOM   323  C CG  . HIS A 1 37  ? -43.856 -0.829  -35.838 1.00 13.30 ? 43  HIS B CG  1 
ATOM   324  N ND1 . HIS A 1 37  ? -43.074 -0.159  -36.780 1.00 14.15 ? 43  HIS B ND1 1 
ATOM   325  C CD2 . HIS A 1 37  ? -43.979 -2.104  -36.271 1.00 13.26 ? 43  HIS B CD2 1 
ATOM   326  C CE1 . HIS A 1 37  ? -42.743 -1.001  -37.724 1.00 13.49 ? 43  HIS B CE1 1 
ATOM   327  N NE2 . HIS A 1 37  ? -43.275 -2.243  -37.433 1.00 13.72 ? 43  HIS B NE2 1 
ATOM   328  N N   . GLN A 1 38  ? -41.315 1.104   -34.245 1.00 13.81 ? 44  GLN B N   1 
ATOM   329  C CA  . GLN A 1 38  ? -40.296 2.133   -34.524 1.00 13.72 ? 44  GLN B CA  1 
ATOM   330  C C   . GLN A 1 38  ? -40.104 2.392   -36.021 1.00 15.24 ? 44  GLN B C   1 
ATOM   331  O O   . GLN A 1 38  ? -39.079 2.996   -36.414 1.00 16.66 ? 44  GLN B O   1 
ATOM   332  C CB  . GLN A 1 38  ? -38.991 1.720   -33.832 1.00 13.96 ? 44  GLN B CB  1 
ATOM   333  C CG  . GLN A 1 38  ? -39.111 1.769   -32.337 1.00 14.37 ? 44  GLN B CG  1 
ATOM   334  C CD  . GLN A 1 38  ? -39.566 3.102   -31.816 1.00 14.03 ? 44  GLN B CD  1 
ATOM   335  O OE1 . GLN A 1 38  ? -40.522 3.226   -31.040 1.00 17.34 ? 44  GLN B OE1 1 
ATOM   336  N NE2 . GLN A 1 38  ? -38.935 4.163   -32.288 1.00 12.58 ? 44  GLN B NE2 1 
ATOM   337  N N   . ASN A 1 39  ? -41.067 2.001   -36.844 1.00 14.58 ? 45  ASN B N   1 
ATOM   338  C CA  . ASN A 1 39  ? -41.166 2.457   -38.263 1.00 13.62 ? 45  ASN B CA  1 
ATOM   339  C C   . ASN A 1 39  ? -40.065 1.844   -39.102 1.00 14.81 ? 45  ASN B C   1 
ATOM   340  O O   . ASN A 1 39  ? -39.609 2.447   -40.066 1.00 16.07 ? 45  ASN B O   1 
ATOM   341  C CB  . ASN A 1 39  ? -41.218 4.001   -38.392 1.00 14.20 ? 45  ASN B CB  1 
ATOM   342  C CG  . ASN A 1 39  ? -41.859 4.425   -39.703 1.00 13.40 ? 45  ASN B CG  1 
ATOM   343  O OD1 . ASN A 1 39  ? -42.719 3.745   -40.255 1.00 13.37 ? 45  ASN B OD1 1 
ATOM   344  N ND2 . ASN A 1 39  ? -41.389 5.533   -40.277 1.00 13.56 ? 45  ASN B ND2 1 
ATOM   345  N N   . VAL A 1 40  ? -39.690 0.608   -38.808 1.00 16.82 ? 46  VAL B N   1 
ATOM   346  C CA  . VAL A 1 40  ? -38.744 -0.224  -39.605 1.00 16.65 ? 46  VAL B CA  1 
ATOM   347  C C   . VAL A 1 40  ? -39.500 -1.262  -40.446 1.00 16.07 ? 46  VAL B C   1 
ATOM   348  O O   . VAL A 1 40  ? -40.559 -1.690  -40.037 1.00 16.44 ? 46  VAL B O   1 
ATOM   349  C CB  . VAL A 1 40  ? -37.729 -0.915  -38.670 1.00 18.22 ? 46  VAL B CB  1 
ATOM   350  C CG1 . VAL A 1 40  ? -36.823 0.111   -38.006 1.00 21.69 ? 46  VAL B CG1 1 
ATOM   351  C CG2 . VAL A 1 40  ? -38.395 -1.797  -37.617 1.00 18.75 ? 46  VAL B CG2 1 
ATOM   352  N N   . SER A 1 41  ? -38.925 -1.718  -41.546 1.00 17.63 ? 47  SER B N   1 
ATOM   353  C CA  . SER A 1 41  ? -39.488 -2.835  -42.323 1.00 19.00 ? 47  SER B CA  1 
ATOM   354  C C   . SER A 1 41  ? -39.290 -4.151  -41.567 1.00 17.18 ? 47  SER B C   1 
ATOM   355  O O   . SER A 1 41  ? -38.317 -4.286  -40.777 1.00 16.70 ? 47  SER B O   1 
ATOM   356  C CB  . SER A 1 41  ? -38.885 -2.884  -43.705 1.00 21.17 ? 47  SER B CB  1 
ATOM   357  O OG  . SER A 1 41  ? -37.477 -3.053  -43.636 1.00 24.05 ? 47  SER B OG  1 
ATOM   358  N N   . ASP A 1 42  ? -40.133 -5.130  -41.813 1.00 17.97 ? 48  ASP B N   1 
ATOM   359  C CA  . ASP A 1 42  ? -39.966 -6.479  -41.242 1.00 17.98 ? 48  ASP B CA  1 
ATOM   360  C C   . ASP A 1 42  ? -38.894 -7.223  -42.040 1.00 19.60 ? 48  ASP B C   1 
ATOM   361  O O   . ASP A 1 42  ? -38.639 -6.892  -43.233 1.00 19.65 ? 48  ASP B O   1 
ATOM   362  C CB  . ASP A 1 42  ? -41.285 -7.232  -41.226 1.00 19.49 ? 48  ASP B CB  1 
ATOM   363  C CG  . ASP A 1 42  ? -41.172 -8.496  -40.414 1.00 24.49 ? 48  ASP B CG  1 
ATOM   364  O OD1 . ASP A 1 42  ? -40.487 -8.487  -39.306 1.00 18.82 ? 48  ASP B OD1 1 
ATOM   365  O OD2 . ASP A 1 42  ? -41.637 -9.516  -40.969 1.00 30.19 ? 48  ASP B OD2 1 
ATOM   366  N N   . ASN A 1 43  ? -38.268 -8.224  -41.406 1.00 17.53 ? 49  ASN B N   1 
ATOM   367  C CA  . ASN A 1 43  ? -37.287 -9.104  -42.076 1.00 18.40 ? 49  ASN B CA  1 
ATOM   368  C C   . ASN A 1 43  ? -37.242 -10.406 -41.288 1.00 18.89 ? 49  ASN B C   1 
ATOM   369  O O   . ASN A 1 43  ? -37.832 -10.510 -40.181 1.00 18.86 ? 49  ASN B O   1 
ATOM   370  C CB  . ASN A 1 43  ? -35.961 -8.394  -42.252 1.00 17.64 ? 49  ASN B CB  1 
ATOM   371  C CG  . ASN A 1 43  ? -35.208 -8.213  -40.949 1.00 17.80 ? 49  ASN B CG  1 
ATOM   372  O OD1 . ASN A 1 43  ? -35.050 -9.189  -40.198 1.00 19.66 ? 49  ASN B OD1 1 
ATOM   373  N ND2 . ASN A 1 43  ? -34.791 -7.028  -40.622 1.00 17.09 ? 49  ASN B ND2 1 
ATOM   374  N N   . LYS A 1 44  ? -36.623 -11.415 -41.868 1.00 19.57 ? 50  LYS B N   1 
ATOM   375  C CA  . LYS A 1 44  ? -36.648 -12.775 -41.289 1.00 20.41 ? 50  LYS B CA  1 
ATOM   376  C C   . LYS A 1 44  ? -35.754 -12.858 -40.029 1.00 17.57 ? 50  LYS B C   1 
ATOM   377  O O   . LYS A 1 44  ? -35.950 -13.813 -39.254 1.00 19.76 ? 50  LYS B O   1 
ATOM   378  C CB  . LYS A 1 44  ? -36.133 -13.765 -42.343 1.00 23.81 ? 50  LYS B CB  1 
ATOM   379  C CG  . LYS A 1 44  ? -34.668 -13.578 -42.687 1.00 28.91 ? 50  LYS B CG  1 
ATOM   380  C CD  . LYS A 1 44  ? -34.275 -13.950 -44.110 1.00 36.18 ? 50  LYS B CD  1 
ATOM   381  C CE  . LYS A 1 44  ? -32.884 -14.547 -44.159 1.00 41.27 ? 50  LYS B CE  1 
ATOM   382  N NZ  . LYS A 1 44  ? -32.863 -15.899 -43.542 1.00 45.38 ? 50  LYS B NZ  1 
ATOM   383  N N   . GLU A 1 45  ? -34.864 -11.903 -39.824 1.00 16.50 ? 51  GLU B N   1 
ATOM   384  C CA  . GLU A 1 45  ? -33.946 -11.895 -38.640 1.00 16.93 ? 51  GLU B CA  1 
ATOM   385  C C   . GLU A 1 45  ? -34.639 -11.329 -37.388 1.00 15.87 ? 51  GLU B C   1 
ATOM   386  O O   . GLU A 1 45  ? -34.196 -11.680 -36.257 1.00 16.50 ? 51  GLU B O   1 
ATOM   387  C CB  . GLU A 1 45  ? -32.725 -11.043 -38.912 1.00 19.68 ? 51  GLU B CB  1 
ATOM   388  C CG  . GLU A 1 45  ? -31.862 -11.524 -40.075 1.00 24.40 ? 51  GLU B CG  1 
ATOM   389  C CD  . GLU A 1 45  ? -30.693 -10.579 -40.299 1.00 32.42 ? 51  GLU B CD  1 
ATOM   390  O OE1 . GLU A 1 45  ? -30.672 -9.905  -41.357 1.00 42.82 ? 51  GLU B OE1 1 
ATOM   391  O OE2 . GLU A 1 45  ? -29.823 -10.470 -39.410 1.00 38.03 ? 51  GLU B OE2 1 
ATOM   392  N N   . ARG A 1 46  ? -35.688 -10.510 -37.495 1.00 14.80 ? 52  ARG B N   1 
ATOM   393  C CA  . ARG A 1 46  ? -36.223 -9.824  -36.285 1.00 13.22 ? 52  ARG B CA  1 
ATOM   394  C C   . ARG A 1 46  ? -36.943 -10.768 -35.360 1.00 13.22 ? 52  ARG B C   1 
ATOM   395  O O   . ARG A 1 46  ? -37.777 -11.578 -35.764 1.00 14.45 ? 52  ARG B O   1 
ATOM   396  C CB  . ARG A 1 46  ? -37.224 -8.745  -36.699 1.00 12.72 ? 52  ARG B CB  1 
ATOM   397  C CG  . ARG A 1 46  ? -36.629 -7.605  -37.486 1.00 14.44 ? 52  ARG B CG  1 
ATOM   398  C CD  . ARG A 1 46  ? -37.554 -6.351  -37.432 1.00 13.78 ? 52  ARG B CD  1 
ATOM   399  N NE  . ARG A 1 46  ? -37.027 -5.342  -38.315 1.00 15.82 ? 52  ARG B NE  1 
ATOM   400  C CZ  . ARG A 1 46  ? -35.943 -4.611  -38.095 1.00 15.52 ? 52  ARG B CZ  1 
ATOM   401  N NH1 . ARG A 1 46  ? -35.315 -4.629  -36.916 1.00 14.23 ? 52  ARG B NH1 1 
ATOM   402  N NH2 . ARG A 1 46  ? -35.462 -3.817  -39.049 1.00 16.79 ? 52  ARG B NH2 1 
ATOM   403  N N   . PHE A 1 47  ? -36.648 -10.699 -34.074 1.00 12.28 ? 53  PHE B N   1 
ATOM   404  C CA  . PHE A 1 47  ? -37.459 -11.405 -33.070 1.00 12.02 ? 53  PHE B CA  1 
ATOM   405  C C   . PHE A 1 47  ? -38.877 -10.793 -33.054 1.00 14.81 ? 53  PHE B C   1 
ATOM   406  O O   . PHE A 1 47  ? -39.018 -9.598  -32.810 1.00 14.45 ? 53  PHE B O   1 
ATOM   407  C CB  . PHE A 1 47  ? -36.847 -11.302 -31.676 1.00 11.37 ? 53  PHE B CB  1 
ATOM   408  C CG  . PHE A 1 47  ? -35.601 -12.144 -31.520 1.00 11.11 ? 53  PHE B CG  1 
ATOM   409  C CD1 . PHE A 1 47  ? -35.724 -13.503 -31.286 1.00 11.43 ? 53  PHE B CD1 1 
ATOM   410  C CD2 . PHE A 1 47  ? -34.336 -11.587 -31.589 1.00 11.98 ? 53  PHE B CD2 1 
ATOM   411  C CE1 . PHE A 1 47  ? -34.596 -14.296 -31.133 1.00 12.68 ? 53  PHE B CE1 1 
ATOM   412  C CE2 . PHE A 1 47  ? -33.201 -12.394 -31.440 1.00 11.88 ? 53  PHE B CE2 1 
ATOM   413  C CZ  . PHE A 1 47  ? -33.358 -13.743 -31.206 1.00 10.98 ? 53  PHE B CZ  1 
ATOM   414  N N   . SER A 1 48  ? -39.887 -11.592 -33.334 1.00 14.77 ? 54  SER B N   1 
ATOM   415  C CA  . SER A 1 48  ? -41.270 -11.069 -33.516 1.00 15.36 ? 54  SER B CA  1 
ATOM   416  C C   . SER A 1 48  ? -42.023 -10.982 -32.195 1.00 15.85 ? 54  SER B C   1 
ATOM   417  O O   . SER A 1 48  ? -42.836 -10.014 -32.039 1.00 18.73 ? 54  SER B O   1 
ATOM   418  C CB  . SER A 1 48  ? -41.999 -11.942 -34.526 1.00 16.51 ? 54  SER B CB  1 
ATOM   419  O OG  . SER A 1 48  ? -42.163 -13.251 -34.050 1.00 16.73 ? 54  SER B OG  1 
ATOM   420  N N   . ASN A 1 49  ? -41.889 -11.896 -31.271 1.00 14.64 ? 55  ASN B N   1 
ATOM   421  C CA  . ASN A 1 49  ? -42.822 -12.047 -30.131 1.00 15.53 ? 55  ASN B CA  1 
ATOM   422  C C   . ASN A 1 49  ? -42.326 -11.348 -28.863 1.00 14.83 ? 55  ASN B C   1 
ATOM   423  O O   . ASN A 1 49  ? -43.122 -11.193 -27.906 1.00 16.42 ? 55  ASN B O   1 
ATOM   424  C CB  . ASN A 1 49  ? -43.124 -13.508 -29.792 1.00 17.26 ? 55  ASN B CB  1 
ATOM   425  C CG  . ASN A 1 49  ? -44.011 -14.224 -30.805 1.00 19.93 ? 55  ASN B CG  1 
ATOM   426  O OD1 . ASN A 1 49  ? -43.833 -14.063 -32.003 1.00 23.44 ? 55  ASN B OD1 1 
ATOM   427  N ND2 . ASN A 1 49  ? -44.954 -15.010 -30.295 1.00 24.98 ? 55  ASN B ND2 1 
ATOM   428  N N   . TYR A 1 50  ? -41.024 -11.067 -28.767 1.00 12.80 ? 56  TYR B N   1 
ATOM   429  C CA  . TYR A 1 50  ? -40.404 -10.585 -27.506 1.00 12.25 ? 56  TYR B CA  1 
ATOM   430  C C   . TYR A 1 50  ? -39.453 -9.435  -27.824 1.00 11.18 ? 56  TYR B C   1 
ATOM   431  O O   . TYR A 1 50  ? -38.905 -9.341  -28.925 1.00 11.95 ? 56  TYR B O   1 
ATOM   432  C CB  . TYR A 1 50  ? -39.618 -11.715 -26.847 1.00 12.33 ? 56  TYR B CB  1 
ATOM   433  C CG  . TYR A 1 50  ? -40.323 -13.048 -26.772 1.00 13.47 ? 56  TYR B CG  1 
ATOM   434  C CD1 . TYR A 1 50  ? -41.334 -13.239 -25.844 1.00 16.14 ? 56  TYR B CD1 1 
ATOM   435  C CD2 . TYR A 1 50  ? -40.024 -14.115 -27.605 1.00 14.52 ? 56  TYR B CD2 1 
ATOM   436  C CE1 . TYR A 1 50  ? -41.998 -14.457 -25.725 1.00 17.31 ? 56  TYR B CE1 1 
ATOM   437  C CE2 . TYR A 1 50  ? -40.725 -15.307 -27.549 1.00 14.71 ? 56  TYR B CE2 1 
ATOM   438  C CZ  . TYR A 1 50  ? -41.683 -15.495 -26.578 1.00 15.65 ? 56  TYR B CZ  1 
ATOM   439  O OH  . TYR A 1 50  ? -42.316 -16.712 -26.507 1.00 16.75 ? 56  TYR B OH  1 
ATOM   440  N N   . PRO A 1 51  ? -39.141 -8.567  -26.828 1.00 10.95 ? 57  PRO B N   1 
ATOM   441  C CA  . PRO A 1 51  ? -38.271 -7.413  -27.038 1.00 11.37 ? 57  PRO B CA  1 
ATOM   442  C C   . PRO A 1 51  ? -36.763 -7.750  -27.026 1.00 9.91  ? 57  PRO B C   1 
ATOM   443  O O   . PRO A 1 51  ? -36.002 -7.201  -26.248 1.00 10.86 ? 57  PRO B O   1 
ATOM   444  C CB  . PRO A 1 51  ? -38.679 -6.421  -25.905 1.00 13.07 ? 57  PRO B CB  1 
ATOM   445  C CG  . PRO A 1 51  ? -39.855 -7.059  -25.206 1.00 14.67 ? 57  PRO B CG  1 
ATOM   446  C CD  . PRO A 1 51  ? -39.815 -8.520  -25.527 1.00 12.12 ? 57  PRO B CD  1 
ATOM   447  N N   . MET A 1 52  ? -36.380 -8.609  -27.980 1.00 10.18 ? 58  MET B N   1 
ATOM   448  C CA  . MET A 1 52  ? -35.037 -9.221  -28.059 1.00 9.13  ? 58  MET B CA  1 
ATOM   449  C C   . MET A 1 52  ? -34.239 -8.616  -29.197 1.00 9.88  ? 58  MET B C   1 
ATOM   450  O O   . MET A 1 52  ? -34.771 -8.125  -30.237 1.00 10.80 ? 58  MET B O   1 
ATOM   451  C CB  . MET A 1 52  ? -35.186 -10.721 -28.243 1.00 10.11 ? 58  MET B CB  1 
ATOM   452  C CG  . MET A 1 52  ? -35.714 -11.420 -27.032 1.00 9.99  ? 58  MET B CG  1 
ATOM   453  S SD  . MET A 1 52  ? -36.219 -13.124 -27.464 1.00 11.77 ? 58  MET B SD  1 
ATOM   454  C CE  . MET A 1 52  ? -36.836 -13.767 -25.918 1.00 12.52 ? 58  MET B CE  1 
ATOM   455  N N   . VAL A 1 53  ? -32.918 -8.684  -29.043 1.00 9.60  ? 59  VAL B N   1 
ATOM   456  C CA  . VAL A 1 53  ? -31.943 -8.209  -30.053 1.00 10.42 ? 59  VAL B CA  1 
ATOM   457  C C   . VAL A 1 53  ? -30.645 -8.993  -29.857 1.00 10.77 ? 59  VAL B C   1 
ATOM   458  O O   . VAL A 1 53  ? -30.336 -9.394  -28.700 1.00 11.01 ? 59  VAL B O   1 
ATOM   459  C CB  . VAL A 1 53  ? -31.750 -6.685  -29.999 1.00 11.07 ? 59  VAL B CB  1 
ATOM   460  C CG1 . VAL A 1 53  ? -31.207 -6.207  -28.660 1.00 11.51 ? 59  VAL B CG1 1 
ATOM   461  C CG2 . VAL A 1 53  ? -30.891 -6.173  -31.147 1.00 11.10 ? 59  VAL B CG2 1 
ATOM   462  N N   . LEU A 1 54  ? -29.872 -9.173  -30.919 1.00 10.13 ? 60  LEU B N   1 
ATOM   463  C CA  . LEU A 1 54  ? -28.552 -9.838  -30.844 1.00 10.41 ? 60  LEU B CA  1 
ATOM   464  C C   . LEU A 1 54  ? -27.437 -8.838  -30.958 1.00 10.99 ? 60  LEU B C   1 
ATOM   465  O O   . LEU A 1 54  ? -27.552 -7.763  -31.649 1.00 12.30 ? 60  LEU B O   1 
ATOM   466  C CB  . LEU A 1 54  ? -28.401 -10.855 -31.964 1.00 11.23 ? 60  LEU B CB  1 
ATOM   467  C CG  . LEU A 1 54  ? -29.450 -11.936 -31.979 1.00 11.31 ? 60  LEU B CG  1 
ATOM   468  C CD1 . LEU A 1 54  ? -29.184 -13.017 -33.024 1.00 13.15 ? 60  LEU B CD1 1 
ATOM   469  C CD2 . LEU A 1 54  ? -29.633 -12.572 -30.607 1.00 11.60 ? 60  LEU B CD2 1 
ATOM   470  N N   . GLY A 1 55  ? -26.283 -9.168  -30.382 1.00 10.54 ? 61  GLY B N   1 
ATOM   471  C CA  . GLY A 1 55  ? -25.031 -8.481  -30.753 1.00 11.36 ? 61  GLY B CA  1 
ATOM   472  C C   . GLY A 1 55  ? -24.598 -8.787  -32.188 1.00 11.18 ? 61  GLY B C   1 
ATOM   473  O O   . GLY A 1 55  ? -24.927 -9.837  -32.692 1.00 12.17 ? 61  GLY B O   1 
ATOM   474  N N   . ALA A 1 56  ? -23.839 -7.886  -32.800 1.00 12.60 ? 62  ALA B N   1 
ATOM   475  C CA  . ALA A 1 56  ? -23.336 -8.082  -34.175 1.00 14.47 ? 62  ALA B CA  1 
ATOM   476  C C   . ALA A 1 56  ? -22.224 -9.128  -34.214 1.00 14.93 ? 62  ALA B C   1 
ATOM   477  O O   . ALA A 1 56  ? -22.056 -9.807  -35.245 1.00 18.39 ? 62  ALA B O   1 
ATOM   478  C CB  . ALA A 1 56  ? -22.853 -6.769  -34.704 1.00 15.64 ? 62  ALA B CB  1 
ATOM   479  N N   . GLN A 1 57  ? -21.475 -9.234  -33.130 1.00 14.04 ? 63  GLN B N   1 
ATOM   480  C CA  . GLN A 1 57  ? -20.278 -10.108 -33.101 1.00 14.54 ? 63  GLN B CA  1 
ATOM   481  C C   . GLN A 1 57  ? -20.713 -11.576 -33.111 1.00 15.27 ? 63  GLN B C   1 
ATOM   482  O O   . GLN A 1 57  ? -21.721 -11.967 -32.490 1.00 16.04 ? 63  GLN B O   1 
ATOM   483  C CB  . GLN A 1 57  ? -19.442 -9.759  -31.866 1.00 16.39 ? 63  GLN B CB  1 
ATOM   484  C CG  . GLN A 1 57  ? -18.755 -8.401  -31.950 1.00 17.64 ? 63  GLN B CG  1 
ATOM   485  C CD  . GLN A 1 57  ? -19.704 -7.223  -31.827 1.00 17.98 ? 63  GLN B CD  1 
ATOM   486  O OE1 . GLN A 1 57  ? -20.662 -7.294  -31.062 1.00 16.99 ? 63  GLN B OE1 1 
ATOM   487  N NE2 . GLN A 1 57  ? -19.435 -6.119  -32.498 1.00 20.42 ? 63  GLN B NE2 1 
ATOM   488  N N   . ARG A 1 58  ? -19.966 -12.415 -33.818 1.00 15.79 ? 64  ARG B N   1 
ATOM   489  C CA  . ARG A 1 58  ? -20.117 -13.880 -33.837 1.00 15.48 ? 64  ARG B CA  1 
ATOM   490  C C   . ARG A 1 58  ? -18.846 -14.521 -33.297 1.00 14.62 ? 64  ARG B C   1 
ATOM   491  O O   . ARG A 1 58  ? -17.740 -14.054 -33.651 1.00 18.03 ? 64  ARG B O   1 
ATOM   492  C CB  . ARG A 1 58  ? -20.289 -14.434 -35.266 1.00 19.67 ? 64  ARG B CB  1 
ATOM   493  C CG  . ARG A 1 58  ? -21.644 -14.211 -35.939 1.00 27.67 ? 64  ARG B CG  1 
ATOM   494  C CD  . ARG A 1 58  ? -22.199 -12.822 -35.719 1.00 30.10 ? 64  ARG B CD  1 
ATOM   495  N NE  . ARG A 1 58  ? -23.033 -12.047 -36.650 1.00 32.92 ? 64  ARG B NE  1 
ATOM   496  C CZ  . ARG A 1 58  ? -23.738 -12.478 -37.691 1.00 33.47 ? 64  ARG B CZ  1 
ATOM   497  N NH1 . ARG A 1 58  ? -24.427 -11.594 -38.397 1.00 35.12 ? 64  ARG B NH1 1 
ATOM   498  N NH2 . ARG A 1 58  ? -23.750 -13.745 -38.054 1.00 34.88 ? 64  ARG B NH2 1 
ATOM   499  N N   . PHE A 1 59  ? -18.988 -15.463 -32.396 1.00 12.99 ? 65  PHE B N   1 
ATOM   500  C CA  . PHE A 1 59  ? -17.829 -16.129 -31.749 1.00 13.79 ? 65  PHE B CA  1 
ATOM   501  C C   . PHE A 1 59  ? -17.888 -17.619 -32.027 1.00 13.19 ? 65  PHE B C   1 
ATOM   502  O O   . PHE A 1 59  ? -18.896 -18.260 -31.819 1.00 13.14 ? 65  PHE B O   1 
ATOM   503  C CB  . PHE A 1 59  ? -17.896 -15.871 -30.225 1.00 15.95 ? 65  PHE B CB  1 
ATOM   504  C CG  . PHE A 1 59  ? -17.886 -14.402 -29.839 1.00 17.05 ? 65  PHE B CG  1 
ATOM   505  C CD1 . PHE A 1 59  ? -16.868 -13.594 -30.324 1.00 20.38 ? 65  PHE B CD1 1 
ATOM   506  C CD2 . PHE A 1 59  ? -18.869 -13.820 -29.070 1.00 24.00 ? 65  PHE B CD2 1 
ATOM   507  C CE1 . PHE A 1 59  ? -16.800 -12.242 -30.031 1.00 23.01 ? 65  PHE B CE1 1 
ATOM   508  C CE2 . PHE A 1 59  ? -18.786 -12.461 -28.747 1.00 19.17 ? 65  PHE B CE2 1 
ATOM   509  C CZ  . PHE A 1 59  ? -17.785 -11.686 -29.269 1.00 21.27 ? 65  PHE B CZ  1 
ATOM   510  N N   A SER A 1 60  ? -16.769 -18.188 -32.496 0.25 13.33 ? 66  SER B N   1 
ATOM   511  N N   B SER A 1 60  ? -16.764 -18.183 -32.487 0.25 13.51 ? 66  SER B N   1 
ATOM   512  C CA  A SER A 1 60  ? -16.654 -19.637 -32.818 0.25 13.76 ? 66  SER B CA  1 
ATOM   513  C CA  B SER A 1 60  ? -16.615 -19.632 -32.795 0.25 14.07 ? 66  SER B CA  1 
ATOM   514  C C   A SER A 1 60  ? -15.429 -20.273 -32.140 0.25 13.58 ? 66  SER B C   1 
ATOM   515  C C   B SER A 1 60  ? -15.339 -20.196 -32.177 0.25 14.25 ? 66  SER B C   1 
ATOM   516  O O   A SER A 1 60  ? -15.260 -21.508 -32.279 0.25 12.90 ? 66  SER B O   1 
ATOM   517  O O   B SER A 1 60  ? -14.921 -21.281 -32.591 0.25 13.34 ? 66  SER B O   1 
ATOM   518  C CB  A SER A 1 60  ? -16.684 -19.872 -34.322 0.25 14.02 ? 66  SER B CB  1 
ATOM   519  C CB  B SER A 1 60  ? -16.589 -19.874 -34.270 0.25 14.19 ? 66  SER B CB  1 
ATOM   520  O OG  A SER A 1 60  ? -18.028 -19.754 -34.820 0.25 14.40 ? 66  SER B OG  1 
ATOM   521  O OG  B SER A 1 60  ? -15.549 -19.119 -34.837 0.25 14.57 ? 66  SER B OG  1 
ATOM   522  N N   A SER A 1 61  ? -14.664 -19.487 -31.371 0.25 13.06 ? 67  SER B N   1 
ATOM   523  N N   B SER A 1 61  ? -14.726 -19.474 -31.247 0.25 14.35 ? 67  SER B N   1 
ATOM   524  C CA  A SER A 1 61  ? -13.453 -19.929 -30.627 0.25 13.66 ? 67  SER B CA  1 
ATOM   525  C CA  B SER A 1 61  ? -13.452 -19.889 -30.620 0.25 15.57 ? 67  SER B CA  1 
ATOM   526  C C   A SER A 1 61  ? -13.159 -18.946 -29.492 0.25 14.47 ? 67  SER B C   1 
ATOM   527  C C   B SER A 1 61  ? -13.073 -18.881 -29.543 0.25 15.49 ? 67  SER B C   1 
ATOM   528  O O   A SER A 1 61  ? -13.787 -17.892 -29.473 0.25 14.25 ? 67  SER B O   1 
ATOM   529  O O   B SER A 1 61  ? -13.522 -17.724 -29.641 0.25 15.35 ? 67  SER B O   1 
ATOM   530  C CB  A SER A 1 61  ? -12.245 -20.027 -31.549 0.25 13.97 ? 67  SER B CB  1 
ATOM   531  C CB  B SER A 1 61  ? -12.365 -19.984 -31.667 0.25 17.06 ? 67  SER B CB  1 
ATOM   532  O OG  A SER A 1 61  ? -11.854 -18.748 -32.019 0.25 14.34 ? 67  SER B OG  1 
ATOM   533  O OG  B SER A 1 61  ? -11.170 -20.490 -31.100 0.25 19.96 ? 67  SER B OG  1 
ATOM   534  N N   . GLY A 1 62  ? -12.243 -19.312 -28.596 1.00 16.03 ? 68  GLY B N   1 
ATOM   535  C CA  . GLY A 1 62  ? -11.631 -18.368 -27.658 1.00 16.55 ? 68  GLY B CA  1 
ATOM   536  C C   . GLY A 1 62  ? -12.482 -18.066 -26.435 1.00 13.48 ? 68  GLY B C   1 
ATOM   537  O O   . GLY A 1 62  ? -13.486 -18.739 -26.154 1.00 15.36 ? 68  GLY B O   1 
ATOM   538  N N   . LYS A 1 63  ? -11.971 -17.101 -25.709 1.00 13.68 ? 69  LYS B N   1 
ATOM   539  C CA  . LYS A 1 63  ? -12.542 -16.610 -24.456 1.00 14.46 ? 69  LYS B CA  1 
ATOM   540  C C   . LYS A 1 63  ? -12.982 -15.183 -24.720 1.00 14.24 ? 69  LYS B C   1 
ATOM   541  O O   . LYS A 1 63  ? -12.196 -14.362 -25.202 1.00 15.46 ? 69  LYS B O   1 
ATOM   542  C CB  . LYS A 1 63  ? -11.507 -16.732 -23.339 1.00 16.47 ? 69  LYS B CB  1 
ATOM   543  C CG  . LYS A 1 63  ? -11.140 -18.151 -22.937 1.00 17.04 ? 69  LYS B CG  1 
ATOM   544  C CD  . LYS A 1 63  ? -10.001 -18.219 -21.886 1.00 20.02 ? 69  LYS B CD  1 
ATOM   545  C CE  . LYS A 1 63  ? -9.614  -19.640 -21.529 1.00 23.32 ? 69  LYS B CE  1 
ATOM   546  N NZ  . LYS A 1 63  ? -8.566  -19.666 -20.477 1.00 25.87 ? 69  LYS B NZ  1 
ATOM   547  N N   . MET A 1 64  ? -14.177 -14.816 -24.270 1.00 13.07 ? 70  MET B N   1 
ATOM   548  C CA  . MET A 1 64  ? -14.809 -13.491 -24.481 1.00 13.13 ? 70  MET B CA  1 
ATOM   549  C C   . MET A 1 64  ? -15.480 -13.040 -23.187 1.00 12.26 ? 70  MET B C   1 
ATOM   550  O O   . MET A 1 64  ? -16.046 -13.886 -22.473 1.00 13.38 ? 70  MET B O   1 
ATOM   551  C CB  . MET A 1 64  ? -15.916 -13.563 -25.518 1.00 13.51 ? 70  MET B CB  1 
ATOM   552  C CG  . MET A 1 64  ? -15.478 -13.747 -26.968 1.00 14.60 ? 70  MET B CG  1 
ATOM   553  S SD  . MET A 1 64  ? -14.713 -15.314 -27.476 1.00 16.70 ? 70  MET B SD  1 
ATOM   554  C CE  . MET A 1 64  ? -15.916 -16.537 -27.015 1.00 16.81 ? 70  MET B CE  1 
ATOM   555  N N   . TYR A 1 65  ? -15.428 -11.762 -22.881 1.00 12.68 ? 71  TYR B N   1 
ATOM   556  C CA  . TYR A 1 65  ? -16.056 -11.196 -21.663 1.00 12.63 ? 71  TYR B CA  1 
ATOM   557  C C   . TYR A 1 65  ? -16.677 -9.863  -22.037 1.00 12.96 ? 71  TYR B C   1 
ATOM   558  O O   . TYR A 1 65  ? -16.037 -9.031  -22.731 1.00 13.47 ? 71  TYR B O   1 
ATOM   559  C CB  . TYR A 1 65  ? -15.020 -11.043 -20.557 1.00 13.30 ? 71  TYR B CB  1 
ATOM   560  C CG  . TYR A 1 65  ? -15.539 -10.425 -19.290 1.00 13.01 ? 71  TYR B CG  1 
ATOM   561  C CD1 . TYR A 1 65  ? -16.245 -11.187 -18.383 1.00 13.58 ? 71  TYR B CD1 1 
ATOM   562  C CD2 . TYR A 1 65  ? -15.341 -9.079  -19.018 1.00 13.65 ? 71  TYR B CD2 1 
ATOM   563  C CE1 . TYR A 1 65  ? -16.760 -10.625 -17.212 1.00 14.09 ? 71  TYR B CE1 1 
ATOM   564  C CE2 . TYR A 1 65  ? -15.865 -8.513  -17.865 1.00 13.55 ? 71  TYR B CE2 1 
ATOM   565  C CZ  . TYR A 1 65  ? -16.537 -9.281  -16.944 1.00 13.80 ? 71  TYR B CZ  1 
ATOM   566  O OH  . TYR A 1 65  ? -17.065 -8.711  -15.819 1.00 15.73 ? 71  TYR B OH  1 
ATOM   567  N N   . TRP A 1 66  ? -17.871 -9.586  -21.549 1.00 11.65 ? 72  TRP B N   1 
ATOM   568  C CA  . TRP A 1 66  ? -18.470 -8.231  -21.647 1.00 12.04 ? 72  TRP B CA  1 
ATOM   569  C C   . TRP A 1 66  ? -19.367 -7.985  -20.436 1.00 12.07 ? 72  TRP B C   1 
ATOM   570  O O   . TRP A 1 66  ? -19.706 -8.921  -19.699 1.00 12.37 ? 72  TRP B O   1 
ATOM   571  C CB  . TRP A 1 66  ? -19.209 -8.014  -22.992 1.00 11.56 ? 72  TRP B CB  1 
ATOM   572  C CG  . TRP A 1 66  ? -20.367 -8.919  -23.245 1.00 11.39 ? 72  TRP B CG  1 
ATOM   573  C CD1 . TRP A 1 66  ? -21.696 -8.612  -23.057 1.00 11.33 ? 72  TRP B CD1 1 
ATOM   574  C CD2 . TRP A 1 66  ? -20.361 -10.233 -23.803 1.00 11.79 ? 72  TRP B CD2 1 
ATOM   575  N NE1 . TRP A 1 66  ? -22.492 -9.663  -23.436 1.00 11.66 ? 72  TRP B NE1 1 
ATOM   576  C CE2 . TRP A 1 66  ? -21.693 -10.679 -23.899 1.00 12.01 ? 72  TRP B CE2 1 
ATOM   577  C CE3 . TRP A 1 66  ? -19.339 -11.116 -24.197 1.00 13.06 ? 72  TRP B CE3 1 
ATOM   578  C CZ2 . TRP A 1 66  ? -22.042 -11.919 -24.407 1.00 12.40 ? 72  TRP B CZ2 1 
ATOM   579  C CZ3 . TRP A 1 66  ? -19.682 -12.344 -24.717 1.00 15.82 ? 72  TRP B CZ3 1 
ATOM   580  C CH2 . TRP A 1 66  ? -21.008 -12.767 -24.772 1.00 14.31 ? 72  TRP B CH2 1 
ATOM   581  N N   . GLU A 1 67  ? -19.760 -6.726  -20.248 1.00 12.27 ? 73  GLU B N   1 
ATOM   582  C CA  . GLU A 1 67  ? -20.607 -6.288  -19.113 1.00 11.32 ? 73  GLU B CA  1 
ATOM   583  C C   . GLU A 1 67  ? -21.820 -5.522  -19.598 1.00 10.62 ? 73  GLU B C   1 
ATOM   584  O O   . GLU A 1 67  ? -21.735 -4.778  -20.569 1.00 11.81 ? 73  GLU B O   1 
ATOM   585  C CB  . GLU A 1 67  ? -19.804 -5.448  -18.121 1.00 13.29 ? 73  GLU B CB  1 
ATOM   586  C CG  . GLU A 1 67  ? -18.743 -6.268  -17.398 1.00 14.98 ? 73  GLU B CG  1 
ATOM   587  C CD  . GLU A 1 67  ? -17.873 -5.514  -16.412 1.00 18.34 ? 73  GLU B CD  1 
ATOM   588  O OE1 . GLU A 1 67  ? -18.043 -4.267  -16.310 1.00 24.19 ? 73  GLU B OE1 1 
ATOM   589  O OE2 . GLU A 1 67  ? -16.991 -6.176  -15.743 1.00 17.37 ? 73  GLU B OE2 1 
ATOM   590  N N   . VAL A 1 68  ? -22.918 -5.717  -18.897 1.00 11.06 ? 74  VAL B N   1 
ATOM   591  C CA  . VAL A 1 68  ? -24.195 -5.070  -19.225 1.00 10.65 ? 74  VAL B CA  1 
ATOM   592  C C   . VAL A 1 68  ? -24.754 -4.390  -17.982 1.00 11.36 ? 74  VAL B C   1 
ATOM   593  O O   . VAL A 1 68  ? -24.881 -5.026  -16.922 1.00 12.63 ? 74  VAL B O   1 
ATOM   594  C CB  . VAL A 1 68  ? -25.207 -6.072  -19.786 1.00 10.86 ? 74  VAL B CB  1 
ATOM   595  C CG1 . VAL A 1 68  ? -26.446 -5.338  -20.243 1.00 12.32 ? 74  VAL B CG1 1 
ATOM   596  C CG2 . VAL A 1 68  ? -24.595 -6.945  -20.866 1.00 12.42 ? 74  VAL B CG2 1 
ATOM   597  N N   . ASP A 1 69  ? -25.203 -3.142  -18.146 1.00 11.39 ? 75  ASP B N   1 
ATOM   598  C CA  . ASP A 1 69  ? -25.861 -2.354  -17.086 1.00 12.96 ? 75  ASP B CA  1 
ATOM   599  C C   . ASP A 1 69  ? -27.354 -2.637  -17.127 1.00 11.30 ? 75  ASP B C   1 
ATOM   600  O O   . ASP A 1 69  ? -27.987 -2.504  -18.240 1.00 11.93 ? 75  ASP B O   1 
ATOM   601  C CB  . ASP A 1 69  ? -25.600 -0.850  -17.263 1.00 14.29 ? 75  ASP B CB  1 
ATOM   602  C CG  . ASP A 1 69  ? -25.977 -0.060  -16.014 1.00 16.15 ? 75  ASP B CG  1 
ATOM   603  O OD1 . ASP A 1 69  ? -27.124 -0.052  -15.654 1.00 16.34 ? 75  ASP B OD1 1 
ATOM   604  O OD2 . ASP A 1 69  ? -25.049 0.398   -15.315 1.00 21.27 ? 75  ASP B OD2 1 
ATOM   605  N N   . VAL A 1 70  ? -27.941 -3.049  -15.999 1.00 11.66 ? 76  VAL B N   1 
ATOM   606  C CA  . VAL A 1 70  ? -29.387 -3.381  -15.839 1.00 12.57 ? 76  VAL B CA  1 
ATOM   607  C C   . VAL A 1 70  ? -30.077 -2.487  -14.790 1.00 12.25 ? 76  VAL B C   1 
ATOM   608  O O   . VAL A 1 70  ? -31.131 -2.836  -14.286 1.00 13.37 ? 76  VAL B O   1 
ATOM   609  C CB  . VAL A 1 70  ? -29.524 -4.889  -15.495 1.00 11.94 ? 76  VAL B CB  1 
ATOM   610  C CG1 . VAL A 1 70  ? -28.963 -5.813  -16.604 1.00 11.59 ? 76  VAL B CG1 1 
ATOM   611  C CG2 . VAL A 1 70  ? -28.886 -5.292  -14.183 1.00 12.52 ? 76  VAL B CG2 1 
ATOM   612  N N   . THR A 1 71  ? -29.438 -1.378  -14.440 1.00 12.64 ? 77  THR B N   1 
ATOM   613  C CA  . THR A 1 71  ? -29.927 -0.470  -13.384 1.00 13.98 ? 77  THR B CA  1 
ATOM   614  C C   . THR A 1 71  ? -31.415 -0.152  -13.581 1.00 14.21 ? 77  THR B C   1 
ATOM   615  O O   . THR A 1 71  ? -31.837 0.221   -14.673 1.00 14.95 ? 77  THR B O   1 
ATOM   616  C CB  . THR A 1 71  ? -29.130 0.834   -13.366 1.00 14.78 ? 77  THR B CB  1 
ATOM   617  O OG1 . THR A 1 71  ? -27.752 0.559   -13.099 1.00 17.32 ? 77  THR B OG1 1 
ATOM   618  C CG2 . THR A 1 71  ? -29.705 1.773   -12.322 1.00 17.02 ? 77  THR B CG2 1 
ATOM   619  N N   . GLN A 1 72  ? -32.146 -0.327  -12.489 1.00 17.08 ? 78  GLN B N   1 
ATOM   620  C CA  . GLN A 1 72  ? -33.576 0.016   -12.250 1.00 19.22 ? 78  GLN B CA  1 
ATOM   621  C C   . GLN A 1 72  ? -34.532 -0.764  -13.156 1.00 19.87 ? 78  GLN B C   1 
ATOM   622  O O   . GLN A 1 72  ? -35.728 -0.449  -13.179 1.00 23.92 ? 78  GLN B O   1 
ATOM   623  C CB  . GLN A 1 72  ? -33.817 1.523   -12.319 1.00 27.14 ? 78  GLN B CB  1 
ATOM   624  C CG  . GLN A 1 72  ? -33.643 2.145   -13.691 1.00 33.64 ? 78  GLN B CG  1 
ATOM   625  C CD  . GLN A 1 72  ? -34.698 3.188   -13.979 1.00 37.58 ? 78  GLN B CD  1 
ATOM   626  O OE1 . GLN A 1 72  ? -34.410 4.243   -14.550 1.00 42.38 ? 78  GLN B OE1 1 
ATOM   627  N NE2 . GLN A 1 72  ? -35.943 2.859   -13.654 1.00 39.95 ? 78  GLN B NE2 1 
ATOM   628  N N   . LYS A 1 73  ? -34.098 -1.809  -13.844 1.00 14.31 ? 79  LYS B N   1 
ATOM   629  C CA  . LYS A 1 73  ? -35.051 -2.667  -14.557 1.00 12.17 ? 79  LYS B CA  1 
ATOM   630  C C   . LYS A 1 73  ? -35.748 -3.679  -13.653 1.00 12.04 ? 79  LYS B C   1 
ATOM   631  O O   . LYS A 1 73  ? -35.079 -4.221  -12.704 1.00 13.72 ? 79  LYS B O   1 
ATOM   632  C CB  . LYS A 1 73  ? -34.327 -3.353  -15.709 1.00 12.18 ? 79  LYS B CB  1 
ATOM   633  C CG  . LYS A 1 73  ? -33.869 -2.363  -16.811 1.00 12.43 ? 79  LYS B CG  1 
ATOM   634  C CD  . LYS A 1 73  ? -33.375 -2.982  -18.077 1.00 13.10 ? 79  LYS B CD  1 
ATOM   635  C CE  . LYS A 1 73  ? -34.425 -3.736  -18.854 1.00 12.12 ? 79  LYS B CE  1 
ATOM   636  N NZ  . LYS A 1 73  ? -35.609 -2.901  -19.180 1.00 10.95 ? 79  LYS B NZ  1 
ATOM   637  N N   . GLU A 1 74  ? -36.973 -4.016  -14.000 1.00 10.88 ? 80  GLU B N   1 
ATOM   638  C CA  . GLU A 1 74  ? -37.775 -5.033  -13.311 1.00 10.88 ? 80  GLU B CA  1 
ATOM   639  C C   . GLU A 1 74  ? -37.703 -6.389  -14.004 1.00 11.43 ? 80  GLU B C   1 
ATOM   640  O O   . GLU A 1 74  ? -38.059 -7.382  -13.415 1.00 12.07 ? 80  GLU B O   1 
ATOM   641  C CB  . GLU A 1 74  ? -39.248 -4.599  -13.292 1.00 11.97 ? 80  GLU B CB  1 
ATOM   642  C CG  . GLU A 1 74  ? -39.563 -3.371  -12.459 1.00 13.63 ? 80  GLU B CG  1 
ATOM   643  C CD  . GLU A 1 74  ? -41.011 -2.898  -12.615 1.00 13.97 ? 80  GLU B CD  1 
ATOM   644  O OE1 . GLU A 1 74  ? -41.419 -2.092  -11.767 1.00 16.33 ? 80  GLU B OE1 1 
ATOM   645  O OE2 . GLU A 1 74  ? -41.720 -3.420  -13.490 1.00 15.24 ? 80  GLU B OE2 1 
ATOM   646  N N   . ALA A 1 75  ? -37.345 -6.441  -15.285 1.00 10.86 ? 81  ALA B N   1 
ATOM   647  C CA  . ALA A 1 75  ? -37.366 -7.679  -16.067 1.00 11.08 ? 81  ALA B CA  1 
ATOM   648  C C   . ALA A 1 75  ? -36.383 -7.527  -17.215 1.00 11.27 ? 81  ALA B C   1 
ATOM   649  O O   . ALA A 1 75  ? -36.308 -6.461  -17.877 1.00 10.85 ? 81  ALA B O   1 
ATOM   650  C CB  . ALA A 1 75  ? -38.734 -7.988  -16.592 1.00 11.93 ? 81  ALA B CB  1 
ATOM   651  N N   . TRP A 1 76  ? -35.640 -8.610  -17.487 1.00 9.71  ? 82  TRP B N   1 
ATOM   652  C CA  . TRP A 1 76  ? -34.653 -8.683  -18.601 1.00 9.92  ? 82  TRP B CA  1 
ATOM   653  C C   . TRP A 1 76  ? -34.150 -10.108 -18.699 1.00 10.22 ? 82  TRP B C   1 
ATOM   654  O O   . TRP A 1 76  ? -34.256 -10.880 -17.730 1.00 10.39 ? 82  TRP B O   1 
ATOM   655  C CB  . TRP A 1 76  ? -33.496 -7.705  -18.393 1.00 10.40 ? 82  TRP B CB  1 
ATOM   656  C CG  . TRP A 1 76  ? -32.822 -7.757  -17.065 1.00 10.41 ? 82  TRP B CG  1 
ATOM   657  C CD1 . TRP A 1 76  ? -33.031 -6.900  -16.034 1.00 11.50 ? 82  TRP B CD1 1 
ATOM   658  C CD2 . TRP A 1 76  ? -31.858 -8.705  -16.541 1.00 10.71 ? 82  TRP B CD2 1 
ATOM   659  N NE1 . TRP A 1 76  ? -32.269 -7.200  -14.955 1.00 11.09 ? 82  TRP B NE1 1 
ATOM   660  C CE2 . TRP A 1 76  ? -31.529 -8.327  -15.231 1.00 11.21 ? 82  TRP B CE2 1 
ATOM   661  C CE3 . TRP A 1 76  ? -31.233 -9.863  -17.066 1.00 11.61 ? 82  TRP B CE3 1 
ATOM   662  C CZ2 . TRP A 1 76  ? -30.605 -9.001  -14.431 1.00 11.00 ? 82  TRP B CZ2 1 
ATOM   663  C CZ3 . TRP A 1 76  ? -30.341 -10.559 -16.268 1.00 11.49 ? 82  TRP B CZ3 1 
ATOM   664  C CH2 . TRP A 1 76  ? -30.023 -10.117 -14.981 1.00 11.98 ? 82  TRP B CH2 1 
ATOM   665  N N   . ASP A 1 77  ? -33.621 -10.453 -19.865 1.00 9.99  ? 83  ASP B N   1 
ATOM   666  C CA  . ASP A 1 77  ? -32.855 -11.716 -20.081 1.00 10.10 ? 83  ASP B CA  1 
ATOM   667  C C   . ASP A 1 77  ? -31.498 -11.328 -20.670 1.00 9.85  ? 83  ASP B C   1 
ATOM   668  O O   . ASP A 1 77  ? -31.449 -10.415 -21.518 1.00 10.21 ? 83  ASP B O   1 
ATOM   669  C CB  . ASP A 1 77  ? -33.526 -12.695 -21.052 1.00 11.58 ? 83  ASP B CB  1 
ATOM   670  C CG  . ASP A 1 77  ? -35.021 -12.906 -20.923 1.00 13.80 ? 83  ASP B CG  1 
ATOM   671  O OD1 . ASP A 1 77  ? -35.469 -12.908 -19.798 1.00 16.56 ? 83  ASP B OD1 1 
ATOM   672  O OD2 . ASP A 1 77  ? -35.701 -13.066 -21.973 1.00 15.54 ? 83  ASP B OD2 1 
ATOM   673  N N   . LEU A 1 78  ? -30.417 -12.001 -20.283 1.00 8.99  ? 84  LEU B N   1 
ATOM   674  C CA  . LEU A 1 78  ? -29.053 -11.768 -20.823 1.00 8.95  ? 84  LEU B CA  1 
ATOM   675  C C   . LEU A 1 78  ? -28.353 -13.111 -21.017 1.00 8.81  ? 84  LEU B C   1 
ATOM   676  O O   . LEU A 1 78  ? -28.495 -14.004 -20.205 1.00 9.18  ? 84  LEU B O   1 
ATOM   677  C CB  . LEU A 1 78  ? -28.228 -10.925 -19.860 1.00 9.90  ? 84  LEU B CB  1 
ATOM   678  C CG  . LEU A 1 78  ? -28.597 -9.457  -19.726 1.00 11.41 ? 84  LEU B CG  1 
ATOM   679  C CD1 . LEU A 1 78  ? -27.780 -8.817  -18.615 1.00 12.00 ? 84  LEU B CD1 1 
ATOM   680  C CD2 . LEU A 1 78  ? -28.371 -8.745  -21.036 1.00 11.56 ? 84  LEU B CD2 1 
ATOM   681  N N   . GLY A 1 79  ? -27.524 -13.168 -22.050 1.00 8.45  ? 85  GLY B N   1 
ATOM   682  C CA  . GLY A 1 79  ? -26.554 -14.268 -22.183 1.00 9.05  ? 85  GLY B CA  1 
ATOM   683  C C   . GLY A 1 79  ? -26.009 -14.320 -23.594 1.00 8.35  ? 85  GLY B C   1 
ATOM   684  O O   . GLY A 1 79  ? -25.620 -13.296 -24.162 1.00 8.96  ? 85  GLY B O   1 
ATOM   685  N N   A VAL A 1 80  ? -25.951 -15.541 -24.118 0.32 8.56  ? 86  VAL B N   1 
ATOM   686  N N   B VAL A 1 80  ? -25.999 -15.512 -24.153 0.33 9.15  ? 86  VAL B N   1 
ATOM   687  C CA  A VAL A 1 80  ? -25.552 -15.847 -25.521 0.32 8.41  ? 86  VAL B CA  1 
ATOM   688  C CA  B VAL A 1 80  ? -25.443 -15.764 -25.508 0.33 9.33  ? 86  VAL B CA  1 
ATOM   689  C C   A VAL A 1 80  ? -26.549 -16.813 -26.142 0.32 8.85  ? 86  VAL B C   1 
ATOM   690  C C   B VAL A 1 80  ? -26.336 -16.855 -26.132 0.33 9.58  ? 86  VAL B C   1 
ATOM   691  O O   A VAL A 1 80  ? -27.305 -17.526 -25.445 0.32 9.09  ? 86  VAL B O   1 
ATOM   692  O O   B VAL A 1 80  ? -26.889 -17.659 -25.388 0.33 10.33 ? 86  VAL B O   1 
ATOM   693  C CB  A VAL A 1 80  ? -24.152 -16.477 -25.640 0.32 8.73  ? 86  VAL B CB  1 
ATOM   694  C CB  B VAL A 1 80  ? -23.948 -16.136 -25.367 0.33 10.67 ? 86  VAL B CB  1 
ATOM   695  C CG1 A VAL A 1 80  ? -23.123 -15.439 -25.268 0.32 8.51  ? 86  VAL B CG1 1 
ATOM   696  C CG1 B VAL A 1 80  ? -23.768 -17.493 -24.708 0.33 10.67 ? 86  VAL B CG1 1 
ATOM   697  C CG2 A VAL A 1 80  ? -24.001 -17.741 -24.802 0.32 8.70  ? 86  VAL B CG2 1 
ATOM   698  C CG2 B VAL A 1 80  ? -23.183 -16.043 -26.673 0.33 11.56 ? 86  VAL B CG2 1 
ATOM   699  N N   . CYS A 1 81  ? -26.500 -16.869 -27.461 1.00 9.45  ? 87  CYS B N   1 
ATOM   700  C CA  . CYS A 1 81  ? -27.311 -17.855 -28.153 1.00 10.56 ? 87  CYS B CA  1 
ATOM   701  C C   . CYS A 1 81  ? -26.634 -18.256 -29.453 1.00 10.11 ? 87  CYS B C   1 
ATOM   702  O O   . CYS A 1 81  ? -25.776 -17.531 -29.981 1.00 10.22 ? 87  CYS B O   1 
ATOM   703  C CB  . CYS A 1 81  ? -28.722 -17.326 -28.422 1.00 11.64 ? 87  CYS B CB  1 
ATOM   704  S SG  . CYS A 1 81  ? -28.805 -15.909 -29.554 1.00 11.75 ? 87  CYS B SG  1 
ATOM   705  N N   A ARG A 1 82  ? -27.089 -19.362 -29.994 0.32 10.53 ? 88  ARG B N   1 
ATOM   706  N N   B ARG A 1 82  ? -27.037 -19.400 -29.974 0.33 9.94  ? 88  ARG B N   1 
ATOM   707  C CA  A ARG A 1 82  ? -26.655 -19.774 -31.348 0.32 11.28 ? 88  ARG B CA  1 
ATOM   708  C CA  B ARG A 1 82  ? -26.585 -19.861 -31.316 0.33 10.20 ? 88  ARG B CA  1 
ATOM   709  C C   A ARG A 1 82  ? -27.075 -18.720 -32.370 0.32 10.79 ? 88  ARG B C   1 
ATOM   710  C C   B ARG A 1 82  ? -27.103 -18.883 -32.391 0.33 10.34 ? 88  ARG B C   1 
ATOM   711  O O   A ARG A 1 82  ? -28.122 -18.076 -32.247 0.32 10.22 ? 88  ARG B O   1 
ATOM   712  O O   B ARG A 1 82  ? -28.285 -18.461 -32.301 0.33 10.58 ? 88  ARG B O   1 
ATOM   713  C CB  A ARG A 1 82  ? -27.300 -21.096 -31.735 0.32 12.30 ? 88  ARG B CB  1 
ATOM   714  C CB  B ARG A 1 82  ? -27.106 -21.282 -31.567 0.33 10.38 ? 88  ARG B CB  1 
ATOM   715  C CG  A ARG A 1 82  ? -26.866 -22.215 -30.818 0.32 13.60 ? 88  ARG B CG  1 
ATOM   716  C CG  B ARG A 1 82  ? -26.443 -21.991 -32.742 0.33 10.26 ? 88  ARG B CG  1 
ATOM   717  C CD  A ARG A 1 82  ? -27.415 -23.524 -31.304 0.32 15.29 ? 88  ARG B CD  1 
ATOM   718  C CD  B ARG A 1 82  ? -26.978 -23.373 -33.024 0.33 10.70 ? 88  ARG B CD  1 
ATOM   719  N NE  A ARG A 1 82  ? -27.077 -24.581 -30.358 0.32 14.93 ? 88  ARG B NE  1 
ATOM   720  N NE  B ARG A 1 82  ? -26.825 -24.199 -31.847 0.33 10.47 ? 88  ARG B NE  1 
ATOM   721  C CZ  A ARG A 1 82  ? -27.883 -25.571 -30.034 0.32 15.88 ? 88  ARG B CZ  1 
ATOM   722  C CZ  B ARG A 1 82  ? -27.825 -24.773 -31.166 0.33 10.85 ? 88  ARG B CZ  1 
ATOM   723  N NH1 A ARG A 1 82  ? -29.098 -25.642 -30.547 0.32 16.83 ? 88  ARG B NH1 1 
ATOM   724  N NH1 B ARG A 1 82  ? -29.063 -24.724 -31.599 0.33 12.05 ? 88  ARG B NH1 1 
ATOM   725  N NH2 A ARG A 1 82  ? -27.465 -26.476 -29.170 0.32 17.72 ? 88  ARG B NH2 1 
ATOM   726  N NH2 B ARG A 1 82  ? -27.556 -25.444 -30.062 0.33 10.80 ? 88  ARG B NH2 1 
ATOM   727  N N   . ASP A 1 83  ? -26.283 -18.566 -33.409 1.00 11.70 ? 89  ASP B N   1 
ATOM   728  C CA  . ASP A 1 83  ? -26.671 -17.655 -34.506 1.00 12.60 ? 89  ASP B CA  1 
ATOM   729  C C   . ASP A 1 83  ? -27.984 -18.136 -35.115 1.00 14.23 ? 89  ASP B C   1 
ATOM   730  O O   . ASP A 1 83  ? -28.739 -17.262 -35.618 1.00 16.14 ? 89  ASP B O   1 
ATOM   731  C CB  . ASP A 1 83  ? -25.568 -17.606 -35.570 1.00 14.61 ? 89  ASP B CB  1 
ATOM   732  C CG  . ASP A 1 83  ? -25.182 -18.888 -36.245 1.00 16.42 ? 89  ASP B CG  1 
ATOM   733  O OD1 . ASP A 1 83  ? -25.640 -19.987 -35.836 1.00 18.38 ? 89  ASP B OD1 1 
ATOM   734  O OD2 . ASP A 1 83  ? -24.390 -18.765 -37.234 1.00 20.10 ? 89  ASP B OD2 1 
ATOM   735  N N   . SER A 1 84  ? -28.301 -19.430 -35.118 1.00 12.27 ? 90  SER B N   1 
ATOM   736  C CA  . SER A 1 84  ? -29.481 -19.949 -35.833 1.00 14.04 ? 90  SER B CA  1 
ATOM   737  C C   . SER A 1 84  ? -30.717 -20.165 -34.940 1.00 13.20 ? 90  SER B C   1 
ATOM   738  O O   . SER A 1 84  ? -31.610 -20.878 -35.336 1.00 14.20 ? 90  SER B O   1 
ATOM   739  C CB  . SER A 1 84  ? -29.102 -21.184 -36.541 1.00 16.98 ? 90  SER B CB  1 
ATOM   740  O OG  . SER A 1 84  ? -28.656 -22.140 -35.642 1.00 16.04 ? 90  SER B OG  1 
ATOM   741  N N   . VAL A 1 85  ? -30.784 -19.538 -33.766 1.00 12.17 ? 91  VAL B N   1 
ATOM   742  C CA  . VAL A 1 85  ? -32.010 -19.657 -32.946 1.00 11.71 ? 91  VAL B CA  1 
ATOM   743  C C   . VAL A 1 85  ? -33.225 -19.156 -33.751 1.00 11.95 ? 91  VAL B C   1 
ATOM   744  O O   . VAL A 1 85  ? -33.122 -18.225 -34.568 1.00 12.70 ? 91  VAL B O   1 
ATOM   745  C CB  . VAL A 1 85  ? -31.911 -18.919 -31.598 1.00 11.89 ? 91  VAL B CB  1 
ATOM   746  C CG1 . VAL A 1 85  ? -30.883 -19.598 -30.707 1.00 11.78 ? 91  VAL B CG1 1 
ATOM   747  C CG2 . VAL A 1 85  ? -31.682 -17.437 -31.745 1.00 11.70 ? 91  VAL B CG2 1 
ATOM   748  N N   . GLN A 1 86  ? -34.352 -19.780 -33.466 1.00 13.48 ? 92  GLN B N   1 
ATOM   749  C CA  . GLN A 1 86  ? -35.694 -19.336 -33.948 1.00 14.38 ? 92  GLN B CA  1 
ATOM   750  C C   . GLN A 1 86  ? -35.925 -17.857 -33.618 1.00 13.46 ? 92  GLN B C   1 
ATOM   751  O O   . GLN A 1 86  ? -35.624 -17.420 -32.519 1.00 15.12 ? 92  GLN B O   1 
ATOM   752  C CB  . GLN A 1 86  ? -36.702 -20.256 -33.254 1.00 17.05 ? 92  GLN B CB  1 
ATOM   753  C CG  . GLN A 1 86  ? -38.187 -19.949 -33.486 1.00 19.46 ? 92  GLN B CG  1 
ATOM   754  C CD  . GLN A 1 86  ? -39.092 -20.800 -32.601 1.00 23.24 ? 92  GLN B CD  1 
ATOM   755  O OE1 . GLN A 1 86  ? -38.682 -21.780 -31.941 1.00 24.24 ? 92  GLN B OE1 1 
ATOM   756  N NE2 . GLN A 1 86  ? -40.370 -20.433 -32.529 1.00 24.89 ? 92  GLN B NE2 1 
ATOM   757  N N   . ARG A 1 87  ? -36.480 -17.122 -34.569 1.00 13.24 ? 93  ARG B N   1 
ATOM   758  C CA  . ARG A 1 87  ? -36.764 -15.663 -34.439 1.00 12.83 ? 93  ARG B CA  1 
ATOM   759  C C   . ARG A 1 87  ? -38.272 -15.434 -34.293 1.00 13.47 ? 93  ARG B C   1 
ATOM   760  O O   . ARG A 1 87  ? -38.653 -14.440 -33.660 1.00 13.97 ? 93  ARG B O   1 
ATOM   761  C CB  . ARG A 1 87  ? -36.225 -14.828 -35.585 1.00 14.06 ? 93  ARG B CB  1 
ATOM   762  C CG  . ARG A 1 87  ? -34.759 -15.077 -35.891 1.00 13.82 ? 93  ARG B CG  1 
ATOM   763  C CD  . ARG A 1 87  ? -33.847 -14.811 -34.670 1.00 13.62 ? 93  ARG B CD  1 
ATOM   764  N NE  . ARG A 1 87  ? -32.469 -15.260 -34.990 1.00 15.08 ? 93  ARG B NE  1 
ATOM   765  C CZ  . ARG A 1 87  ? -31.574 -14.545 -35.628 1.00 14.63 ? 93  ARG B CZ  1 
ATOM   766  N NH1 . ARG A 1 87  ? -31.842 -13.326 -36.017 1.00 16.59 ? 93  ARG B NH1 1 
ATOM   767  N NH2 . ARG A 1 87  ? -30.400 -15.057 -35.929 1.00 16.88 ? 93  ARG B NH2 1 
ATOM   768  N N   . LYS A 1 88  ? -39.109 -16.300 -34.875 1.00 13.41 ? 94  LYS B N   1 
ATOM   769  C CA  . LYS A 1 88  ? -40.572 -16.026 -35.024 1.00 14.06 ? 94  LYS B CA  1 
ATOM   770  C C   . LYS A 1 88  ? -41.380 -16.919 -34.113 1.00 15.48 ? 94  LYS B C   1 
ATOM   771  O O   . LYS A 1 88  ? -41.013 -18.110 -33.970 1.00 17.57 ? 94  LYS B O   1 
ATOM   772  C CB  . LYS A 1 88  ? -41.003 -16.216 -36.480 1.00 14.93 ? 94  LYS B CB  1 
ATOM   773  C CG  . LYS A 1 88  ? -40.183 -15.441 -37.487 1.00 16.35 ? 94  LYS B CG  1 
ATOM   774  C CD  . LYS A 1 88  ? -40.131 -13.922 -37.253 1.00 16.46 ? 94  LYS B CD  1 
ATOM   775  C CE  . LYS A 1 88  ? -39.382 -13.241 -38.365 1.00 17.39 ? 94  LYS B CE  1 
ATOM   776  N NZ  . LYS A 1 88  ? -39.274 -11.771 -38.182 1.00 18.08 ? 94  LYS B NZ  1 
ATOM   777  N N   . GLY A 1 89  ? -42.454 -16.402 -33.531 1.00 16.37 ? 95  GLY B N   1 
ATOM   778  C CA  . GLY A 1 89  ? -43.336 -17.214 -32.700 1.00 16.30 ? 95  GLY B CA  1 
ATOM   779  C C   . GLY A 1 89  ? -42.827 -17.387 -31.285 1.00 17.50 ? 95  GLY B C   1 
ATOM   780  O O   . GLY A 1 89  ? -41.845 -16.652 -30.869 1.00 17.35 ? 95  GLY B O   1 
ATOM   781  N N   . GLN A 1 90  ? -43.478 -18.268 -30.552 1.00 17.97 ? 96  GLN B N   1 
ATOM   782  C CA  . GLN A 1 90  ? -43.215 -18.500 -29.122 1.00 20.23 ? 96  GLN B CA  1 
ATOM   783  C C   . GLN A 1 90  ? -42.146 -19.575 -28.968 1.00 19.18 ? 96  GLN B C   1 
ATOM   784  O O   . GLN A 1 90  ? -42.038 -20.480 -29.814 1.00 19.88 ? 96  GLN B O   1 
ATOM   785  C CB  . GLN A 1 90  ? -44.519 -18.887 -28.424 1.00 23.67 ? 96  GLN B CB  1 
ATOM   786  C CG  . GLN A 1 90  ? -45.501 -17.735 -28.494 1.00 30.19 ? 96  GLN B CG  1 
ATOM   787  C CD  . GLN A 1 90  ? -46.863 -18.084 -27.970 1.00 38.57 ? 96  GLN B CD  1 
ATOM   788  O OE1 . GLN A 1 90  ? -47.140 -17.915 -26.784 1.00 46.16 ? 96  GLN B OE1 1 
ATOM   789  N NE2 . GLN A 1 90  ? -47.706 -18.577 -28.867 1.00 44.87 ? 96  GLN B NE2 1 
ATOM   790  N N   . PHE A 1 91  ? -41.283 -19.401 -27.970 1.00 16.26 ? 97  PHE B N   1 
ATOM   791  C CA  . PHE A 1 91  ? -40.250 -20.383 -27.610 1.00 16.22 ? 97  PHE B CA  1 
ATOM   792  C C   . PHE A 1 91  ? -39.755 -20.107 -26.204 1.00 15.99 ? 97  PHE B C   1 
ATOM   793  O O   . PHE A 1 91  ? -39.901 -19.000 -25.677 1.00 17.53 ? 97  PHE B O   1 
ATOM   794  C CB  . PHE A 1 91  ? -39.082 -20.335 -28.596 1.00 15.46 ? 97  PHE B CB  1 
ATOM   795  C CG  . PHE A 1 91  ? -38.454 -18.973 -28.750 1.00 14.71 ? 97  PHE B CG  1 
ATOM   796  C CD1 . PHE A 1 91  ? -37.476 -18.560 -27.852 1.00 15.46 ? 97  PHE B CD1 1 
ATOM   797  C CD2 . PHE A 1 91  ? -38.802 -18.103 -29.778 1.00 15.13 ? 97  PHE B CD2 1 
ATOM   798  C CE1 . PHE A 1 91  ? -36.844 -17.333 -27.976 1.00 14.76 ? 97  PHE B CE1 1 
ATOM   799  C CE2 . PHE A 1 91  ? -38.185 -16.864 -29.899 1.00 14.56 ? 97  PHE B CE2 1 
ATOM   800  C CZ  . PHE A 1 91  ? -37.204 -16.493 -28.999 1.00 14.81 ? 97  PHE B CZ  1 
ATOM   801  N N   A SER A 1 92  ? -39.201 -21.138 -25.567 0.25 16.27 ? 98  SER B N   1 
ATOM   802  N N   B SER A 1 92  ? -39.178 -21.149 -25.605 0.25 15.69 ? 98  SER B N   1 
ATOM   803  C CA  A SER A 1 92  ? -38.563 -21.029 -24.230 0.25 16.62 ? 98  SER B CA  1 
ATOM   804  C CA  B SER A 1 92  ? -38.533 -21.118 -24.269 0.25 15.77 ? 98  SER B CA  1 
ATOM   805  C C   A SER A 1 92  ? -37.056 -20.829 -24.394 0.25 14.97 ? 98  SER B C   1 
ATOM   806  C C   B SER A 1 92  ? -37.039 -20.817 -24.424 0.25 14.48 ? 98  SER B C   1 
ATOM   807  O O   A SER A 1 92  ? -36.459 -21.386 -25.339 0.25 14.54 ? 98  SER B O   1 
ATOM   808  O O   B SER A 1 92  ? -36.431 -21.257 -25.432 0.25 14.14 ? 98  SER B O   1 
ATOM   809  C CB  A SER A 1 92  ? -38.827 -22.233 -23.388 0.25 19.15 ? 98  SER B CB  1 
ATOM   810  C CB  B SER A 1 92  ? -38.755 -22.418 -23.544 0.25 17.27 ? 98  SER B CB  1 
ATOM   811  O OG  A SER A 1 92  ? -38.594 -23.401 -24.146 0.25 21.83 ? 98  SER B OG  1 
ATOM   812  O OG  B SER A 1 92  ? -40.119 -22.529 -23.147 0.25 18.83 ? 98  SER B OG  1 
ATOM   813  N N   . LEU A 1 93  ? -36.471 -20.071 -23.473 1.00 14.11 ? 99  LEU B N   1 
ATOM   814  C CA  . LEU A 1 93  ? -35.017 -19.889 -23.403 1.00 14.21 ? 99  LEU B CA  1 
ATOM   815  C C   . LEU A 1 93  ? -34.424 -21.094 -22.701 1.00 13.62 ? 99  LEU B C   1 
ATOM   816  O O   . LEU A 1 93  ? -34.513 -21.237 -21.491 1.00 15.86 ? 99  LEU B O   1 
ATOM   817  C CB  . LEU A 1 93  ? -34.647 -18.604 -22.666 1.00 14.14 ? 99  LEU B CB  1 
ATOM   818  C CG  . LEU A 1 93  ? -35.181 -17.319 -23.270 1.00 15.00 ? 99  LEU B CG  1 
ATOM   819  C CD1 . LEU A 1 93  ? -34.813 -16.116 -22.395 1.00 15.66 ? 99  LEU B CD1 1 
ATOM   820  C CD2 . LEU A 1 93  ? -34.662 -17.148 -24.683 1.00 16.09 ? 99  LEU B CD2 1 
ATOM   821  N N   . SER A 1 94  ? -33.729 -21.956 -23.441 1.00 12.47 ? 100 SER B N   1 
ATOM   822  C CA  . SER A 1 94  ? -33.135 -23.190 -22.905 1.00 12.66 ? 100 SER B CA  1 
ATOM   823  C C   . SER A 1 94  ? -31.945 -23.568 -23.764 1.00 11.61 ? 100 SER B C   1 
ATOM   824  O O   . SER A 1 94  ? -31.930 -23.235 -24.956 1.00 11.20 ? 100 SER B O   1 
ATOM   825  C CB  . SER A 1 94  ? -34.081 -24.364 -22.883 1.00 14.37 ? 100 SER B CB  1 
ATOM   826  O OG  . SER A 1 94  ? -34.456 -24.709 -24.203 1.00 17.69 ? 100 SER B OG  1 
ATOM   827  N N   . PRO A 1 95  ? -30.999 -24.332 -23.245 1.00 11.44 ? 101 PRO B N   1 
ATOM   828  C CA  . PRO A 1 95  ? -29.913 -24.843 -24.076 1.00 12.52 ? 101 PRO B CA  1 
ATOM   829  C C   . PRO A 1 95  ? -30.417 -25.714 -25.220 1.00 12.72 ? 101 PRO B C   1 
ATOM   830  O O   . PRO A 1 95  ? -29.830 -25.591 -26.331 1.00 12.86 ? 101 PRO B O   1 
ATOM   831  C CB  . PRO A 1 95  ? -29.008 -25.601 -23.086 1.00 13.51 ? 101 PRO B CB  1 
ATOM   832  C CG  . PRO A 1 95  ? -29.283 -24.860 -21.778 1.00 14.11 ? 101 PRO B CG  1 
ATOM   833  C CD  . PRO A 1 95  ? -30.768 -24.582 -21.825 1.00 13.51 ? 101 PRO B CD  1 
ATOM   834  N N   . GLU A 1 96  ? -31.490 -26.462 -25.019 1.00 13.64 ? 102 GLU B N   1 
ATOM   835  C CA  . GLU A 1 96  ? -32.073 -27.287 -26.105 1.00 15.06 ? 102 GLU B CA  1 
ATOM   836  C C   . GLU A 1 96  ? -32.451 -26.398 -27.285 1.00 14.94 ? 102 GLU B C   1 
ATOM   837  O O   . GLU A 1 96  ? -32.403 -26.868 -28.447 1.00 16.27 ? 102 GLU B O   1 
ATOM   838  C CB  . GLU A 1 96  ? -33.238 -28.087 -25.540 1.00 19.71 ? 102 GLU B CB  1 
ATOM   839  C CG  . GLU A 1 96  ? -32.842 -28.942 -24.362 1.00 28.22 ? 102 GLU B CG  1 
ATOM   840  C CD  . GLU A 1 96  ? -33.173 -28.449 -22.956 1.00 32.60 ? 102 GLU B CD  1 
ATOM   841  O OE1 . GLU A 1 96  ? -32.437 -27.550 -22.387 1.00 21.20 ? 102 GLU B OE1 1 
ATOM   842  O OE2 . GLU A 1 96  ? -34.147 -29.043 -22.385 1.00 41.62 ? 102 GLU B OE2 1 
ATOM   843  N N   . ASN A 1 97  ? -32.944 -25.181 -27.044 1.00 13.59 ? 103 ASN B N   1 
ATOM   844  C CA  . ASN A 1 97  ? -33.327 -24.224 -28.103 1.00 13.14 ? 103 ASN B CA  1 
ATOM   845  C C   . ASN A 1 97  ? -32.178 -23.296 -28.502 1.00 11.74 ? 103 ASN B C   1 
ATOM   846  O O   . ASN A 1 97  ? -32.367 -22.450 -29.363 1.00 12.79 ? 103 ASN B O   1 
ATOM   847  C CB  . ASN A 1 97  ? -34.553 -23.401 -27.678 1.00 14.04 ? 103 ASN B CB  1 
ATOM   848  C CG  . ASN A 1 97  ? -35.840 -24.186 -27.652 1.00 16.76 ? 103 ASN B CG  1 
ATOM   849  O OD1 . ASN A 1 97  ? -35.938 -25.272 -28.263 1.00 18.87 ? 103 ASN B OD1 1 
ATOM   850  N ND2 . ASN A 1 97  ? -36.795 -23.716 -26.863 1.00 17.37 ? 103 ASN B ND2 1 
ATOM   851  N N   . GLY A 1 98  ? -30.962 -23.495 -27.990 1.00 10.78 ? 104 GLY B N   1 
ATOM   852  C CA  . GLY A 1 98  ? -29.806 -22.695 -28.406 1.00 10.52 ? 104 GLY B CA  1 
ATOM   853  C C   . GLY A 1 98  ? -29.527 -21.442 -27.588 1.00 9.50  ? 104 GLY B C   1 
ATOM   854  O O   . GLY A 1 98  ? -28.868 -20.547 -28.105 1.00 10.38 ? 104 GLY B O   1 
ATOM   855  N N   . PHE A 1 99  ? -30.021 -21.389 -26.333 1.00 10.05 ? 105 PHE B N   1 
ATOM   856  C CA  . PHE A 1 99  ? -29.815 -20.218 -25.451 1.00 9.85  ? 105 PHE B CA  1 
ATOM   857  C C   . PHE A 1 99  ? -29.110 -20.589 -24.146 1.00 8.85  ? 105 PHE B C   1 
ATOM   858  O O   . PHE A 1 99  ? -29.570 -21.562 -23.510 1.00 10.35 ? 105 PHE B O   1 
ATOM   859  C CB  . PHE A 1 99  ? -31.155 -19.560 -25.116 1.00 10.06 ? 105 PHE B CB  1 
ATOM   860  C CG  . PHE A 1 99  ? -31.935 -19.036 -26.306 1.00 10.23 ? 105 PHE B CG  1 
ATOM   861  C CD1 . PHE A 1 99  ? -32.839 -19.850 -26.963 1.00 10.38 ? 105 PHE B CD1 1 
ATOM   862  C CD2 . PHE A 1 99  ? -31.799 -17.721 -26.742 1.00 10.35 ? 105 PHE B CD2 1 
ATOM   863  C CE1 . PHE A 1 99  ? -33.577 -19.369 -28.045 1.00 11.87 ? 105 PHE B CE1 1 
ATOM   864  C CE2 . PHE A 1 99  ? -32.530 -17.265 -27.821 1.00 11.41 ? 105 PHE B CE2 1 
ATOM   865  C CZ  . PHE A 1 99  ? -33.400 -18.094 -28.458 1.00 11.19 ? 105 PHE B CZ  1 
ATOM   866  N N   . TRP A 1 100 ? -28.175 -19.752 -23.730 1.00 8.96  ? 106 TRP B N   1 
ATOM   867  C CA  . TRP A 1 100 ? -27.484 -19.849 -22.412 1.00 9.01  ? 106 TRP B CA  1 
ATOM   868  C C   . TRP A 1 100 ? -27.644 -18.500 -21.730 1.00 8.23  ? 106 TRP B C   1 
ATOM   869  O O   . TRP A 1 100 ? -26.906 -17.553 -22.048 1.00 9.21  ? 106 TRP B O   1 
ATOM   870  C CB  . TRP A 1 100 ? -26.019 -20.294 -22.552 1.00 9.23  ? 106 TRP B CB  1 
ATOM   871  C CG  . TRP A 1 100 ? -25.916 -21.666 -23.169 1.00 9.45  ? 106 TRP B CG  1 
ATOM   872  C CD1 . TRP A 1 100 ? -25.828 -22.873 -22.526 1.00 10.39 ? 106 TRP B CD1 1 
ATOM   873  C CD2 . TRP A 1 100 ? -25.964 -21.997 -24.586 1.00 9.96  ? 106 TRP B CD2 1 
ATOM   874  N NE1 . TRP A 1 100 ? -25.844 -23.913 -23.441 1.00 10.82 ? 106 TRP B NE1 1 
ATOM   875  C CE2 . TRP A 1 100 ? -25.935 -23.396 -24.694 1.00 10.74 ? 106 TRP B CE2 1 
ATOM   876  C CE3 . TRP A 1 100 ? -26.028 -21.237 -25.757 1.00 10.32 ? 106 TRP B CE3 1 
ATOM   877  C CZ2 . TRP A 1 100 ? -25.994 -24.057 -25.933 1.00 11.47 ? 106 TRP B CZ2 1 
ATOM   878  C CZ3 . TRP A 1 100 ? -26.060 -21.905 -26.974 1.00 12.02 ? 106 TRP B CZ3 1 
ATOM   879  C CH2 . TRP A 1 100 ? -26.081 -23.269 -27.047 1.00 12.17 ? 106 TRP B CH2 1 
ATOM   880  N N   . THR A 1 101 ? -28.640 -18.395 -20.838 1.00 8.83  ? 107 THR B N   1 
ATOM   881  C CA  . THR A 1 101 ? -29.152 -17.089 -20.357 1.00 9.01  ? 107 THR B CA  1 
ATOM   882  C C   . THR A 1 101 ? -29.486 -17.173 -18.862 1.00 8.87  ? 107 THR B C   1 
ATOM   883  O O   . THR A 1 101 ? -29.760 -18.237 -18.321 1.00 9.38  ? 107 THR B O   1 
ATOM   884  C CB  . THR A 1 101 ? -30.406 -16.642 -21.116 1.00 9.65  ? 107 THR B CB  1 
ATOM   885  O OG1 . THR A 1 101 ? -31.462 -17.566 -20.901 1.00 10.56 ? 107 THR B OG1 1 
ATOM   886  C CG2 . THR A 1 101 ? -30.116 -16.441 -22.591 1.00 10.00 ? 107 THR B CG2 1 
ATOM   887  N N   . ILE A 1 102 ? -29.526 -15.990 -18.263 1.00 9.10  ? 108 ILE B N   1 
ATOM   888  C CA  . ILE A 1 102 ? -30.172 -15.774 -16.929 1.00 9.00  ? 108 ILE B CA  1 
ATOM   889  C C   . ILE A 1 102 ? -31.183 -14.640 -17.106 1.00 9.28  ? 108 ILE B C   1 
ATOM   890  O O   . ILE A 1 102 ? -31.110 -13.857 -18.103 1.00 9.58  ? 108 ILE B O   1 
ATOM   891  C CB  . ILE A 1 102 ? -29.155 -15.457 -15.806 1.00 9.63  ? 108 ILE B CB  1 
ATOM   892  C CG1 . ILE A 1 102 ? -28.436 -14.125 -16.014 1.00 10.05 ? 108 ILE B CG1 1 
ATOM   893  C CG2 . ILE A 1 102 ? -28.148 -16.598 -15.702 1.00 10.02 ? 108 ILE B CG2 1 
ATOM   894  C CD1 . ILE A 1 102 ? -27.629 -13.649 -14.817 1.00 11.18 ? 108 ILE B CD1 1 
ATOM   895  N N   . TRP A 1 103 ? -32.030 -14.480 -16.113 1.00 9.34  ? 109 TRP B N   1 
ATOM   896  C CA  . TRP A 1 103 ? -33.051 -13.424 -16.160 1.00 10.08 ? 109 TRP B CA  1 
ATOM   897  C C   . TRP A 1 103 ? -33.452 -12.955 -14.786 1.00 10.61 ? 109 TRP B C   1 
ATOM   898  O O   . TRP A 1 103 ? -33.282 -13.652 -13.763 1.00 10.48 ? 109 TRP B O   1 
ATOM   899  C CB  . TRP A 1 103 ? -34.228 -13.837 -16.984 1.00 12.20 ? 109 TRP B CB  1 
ATOM   900  C CG  . TRP A 1 103 ? -35.016 -14.979 -16.484 1.00 13.65 ? 109 TRP B CG  1 
ATOM   901  C CD1 . TRP A 1 103 ? -35.894 -15.000 -15.441 1.00 13.57 ? 109 TRP B CD1 1 
ATOM   902  C CD2 . TRP A 1 103 ? -35.128 -16.238 -17.133 1.00 14.49 ? 109 TRP B CD2 1 
ATOM   903  N NE1 . TRP A 1 103 ? -36.556 -16.190 -15.411 1.00 17.00 ? 109 TRP B NE1 1 
ATOM   904  C CE2 . TRP A 1 103 ? -36.099 -16.983 -16.427 1.00 15.19 ? 109 TRP B CE2 1 
ATOM   905  C CE3 . TRP A 1 103 ? -34.514 -16.797 -18.253 1.00 15.60 ? 109 TRP B CE3 1 
ATOM   906  C CZ2 . TRP A 1 103 ? -36.446 -18.284 -16.794 1.00 18.60 ? 109 TRP B CZ2 1 
ATOM   907  C CZ3 . TRP A 1 103 ? -34.887 -18.060 -18.630 1.00 17.86 ? 109 TRP B CZ3 1 
ATOM   908  C CH2 . TRP A 1 103 ? -35.826 -18.783 -17.914 1.00 16.84 ? 109 TRP B CH2 1 
ATOM   909  N N   . LEU A 1 104 ? -34.073 -11.762 -14.793 1.00 10.39 ? 110 LEU B N   1 
ATOM   910  C CA  . LEU A 1 104 ? -34.862 -11.234 -13.663 1.00 10.22 ? 110 LEU B CA  1 
ATOM   911  C C   . LEU A 1 104 ? -36.317 -11.191 -14.077 1.00 10.25 ? 110 LEU B C   1 
ATOM   912  O O   . LEU A 1 104 ? -36.627 -10.712 -15.161 1.00 10.94 ? 110 LEU B O   1 
ATOM   913  C CB  . LEU A 1 104 ? -34.380 -9.839  -13.357 1.00 10.68 ? 110 LEU B CB  1 
ATOM   914  C CG  . LEU A 1 104 ? -35.217 -9.048  -12.340 1.00 11.07 ? 110 LEU B CG  1 
ATOM   915  C CD1 . LEU A 1 104 ? -35.250 -9.708  -10.970 1.00 12.01 ? 110 LEU B CD1 1 
ATOM   916  C CD2 . LEU A 1 104 ? -34.729 -7.614  -12.234 1.00 12.51 ? 110 LEU B CD2 1 
ATOM   917  N N   . TRP A 1 105 ? -37.193 -11.648 -13.189 1.00 11.80 ? 111 TRP B N   1 
ATOM   918  C CA  . TRP A 1 105 ? -38.649 -11.648 -13.423 1.00 13.13 ? 111 TRP B CA  1 
ATOM   919  C C   . TRP A 1 105 ? -39.342 -11.692 -12.070 1.00 14.00 ? 111 TRP B C   1 
ATOM   920  O O   . TRP A 1 105 ? -39.053 -12.575 -11.261 1.00 14.21 ? 111 TRP B O   1 
ATOM   921  C CB  . TRP A 1 105 ? -39.032 -12.877 -14.247 1.00 16.34 ? 111 TRP B CB  1 
ATOM   922  C CG  . TRP A 1 105 ? -40.489 -13.101 -14.371 1.00 19.36 ? 111 TRP B CG  1 
ATOM   923  C CD1 . TRP A 1 105 ? -41.271 -14.100 -13.855 1.00 20.24 ? 111 TRP B CD1 1 
ATOM   924  C CD2 . TRP A 1 105 ? -41.331 -12.276 -15.173 1.00 19.22 ? 111 TRP B CD2 1 
ATOM   925  N NE1 . TRP A 1 105 ? -42.549 -13.912 -14.267 1.00 19.85 ? 111 TRP B NE1 1 
ATOM   926  C CE2 . TRP A 1 105 ? -42.628 -12.813 -15.075 1.00 18.06 ? 111 TRP B CE2 1 
ATOM   927  C CE3 . TRP A 1 105 ? -41.113 -11.156 -15.975 1.00 19.10 ? 111 TRP B CE3 1 
ATOM   928  C CZ2 . TRP A 1 105 ? -43.718 -12.265 -15.742 1.00 21.92 ? 111 TRP B CZ2 1 
ATOM   929  C CZ3 . TRP A 1 105 ? -42.201 -10.577 -16.592 1.00 23.13 ? 111 TRP B CZ3 1 
ATOM   930  C CH2 . TRP A 1 105 ? -43.485 -11.120 -16.476 1.00 22.87 ? 111 TRP B CH2 1 
ATOM   931  N N   . GLN A 1 106 ? -40.208 -10.707 -11.787 1.00 12.78 ? 112 GLN B N   1 
ATOM   932  C CA  . GLN A 1 106 ? -41.050 -10.722 -10.551 1.00 13.27 ? 112 GLN B CA  1 
ATOM   933  C C   . GLN A 1 106 ? -40.144 -10.899 -9.353  1.00 13.90 ? 112 GLN B C   1 
ATOM   934  O O   . GLN A 1 106 ? -40.498 -11.734 -8.454  1.00 15.99 ? 112 GLN B O   1 
ATOM   935  C CB  . GLN A 1 106 ? -42.150 -11.762 -10.697 1.00 14.68 ? 112 GLN B CB  1 
ATOM   936  C CG  . GLN A 1 106 ? -43.090 -11.405 -11.823 1.00 15.56 ? 112 GLN B CG  1 
ATOM   937  C CD  . GLN A 1 106 ? -44.350 -12.230 -11.907 1.00 17.05 ? 112 GLN B CD  1 
ATOM   938  O OE1 . GLN A 1 106 ? -45.283 -11.878 -12.658 1.00 20.20 ? 112 GLN B OE1 1 
ATOM   939  N NE2 . GLN A 1 106 ? -44.429 -13.284 -11.114 1.00 17.03 ? 112 GLN B NE2 1 
ATOM   940  N N   . ASP A 1 107 ? -39.131 -10.088 -9.232  1.00 14.80 ? 113 ASP B N   1 
ATOM   941  C CA  . ASP A 1 107 ? -38.310 -10.000 -8.021  1.00 19.57 ? 113 ASP B CA  1 
ATOM   942  C C   . ASP A 1 107 ? -37.532 -11.305 -7.754  1.00 20.12 ? 113 ASP B C   1 
ATOM   943  O O   . ASP A 1 107 ? -36.918 -11.385 -6.663  1.00 27.50 ? 113 ASP B O   1 
ATOM   944  C CB  . ASP A 1 107 ? -39.270 -9.675  -6.870  1.00 23.03 ? 113 ASP B CB  1 
ATOM   945  C CG  . ASP A 1 107 ? -38.602 -9.091  -5.668  1.00 30.41 ? 113 ASP B CG  1 
ATOM   946  O OD1 . ASP A 1 107 ? -37.666 -8.264  -5.830  1.00 35.23 ? 113 ASP B OD1 1 
ATOM   947  O OD2 . ASP A 1 107 ? -39.062 -9.462  -4.554  1.00 38.72 ? 113 ASP B OD2 1 
ATOM   948  N N   . SER A 1 108 ? -37.389 -12.206 -8.721  1.00 16.06 ? 114 SER B N   1 
ATOM   949  C CA  . SER A 1 108 ? -36.482 -13.382 -8.596  1.00 17.31 ? 114 SER B CA  1 
ATOM   950  C C   . SER A 1 108 ? -35.568 -13.481 -9.814  1.00 14.92 ? 114 SER B C   1 
ATOM   951  O O   . SER A 1 108 ? -35.964 -13.136 -10.963 1.00 14.59 ? 114 SER B O   1 
ATOM   952  C CB  . SER A 1 108 ? -37.290 -14.612 -8.307  1.00 21.24 ? 114 SER B CB  1 
ATOM   953  O OG  . SER A 1 108 ? -37.901 -15.124 -9.454  1.00 30.75 ? 114 SER B OG  1 
ATOM   954  N N   . TYR A 1 109 ? -34.379 -13.993 -9.577  1.00 12.46 ? 115 TYR B N   1 
ATOM   955  C CA  . TYR A 1 109 ? -33.370 -14.285 -10.628 1.00 12.28 ? 115 TYR B CA  1 
ATOM   956  C C   . TYR A 1 109 ? -33.351 -15.773 -10.889 1.00 11.74 ? 115 TYR B C   1 
ATOM   957  O O   . TYR A 1 109 ? -33.352 -16.577 -9.930  1.00 12.42 ? 115 TYR B O   1 
ATOM   958  C CB  . TYR A 1 109 ? -32.015 -13.766 -10.200 1.00 12.52 ? 115 TYR B CB  1 
ATOM   959  C CG  . TYR A 1 109 ? -31.938 -12.271 -9.965  1.00 12.96 ? 115 TYR B CG  1 
ATOM   960  C CD1 . TYR A 1 109 ? -32.200 -11.729 -8.711  1.00 13.87 ? 115 TYR B CD1 1 
ATOM   961  C CD2 . TYR A 1 109 ? -31.587 -11.385 -10.974 1.00 12.63 ? 115 TYR B CD2 1 
ATOM   962  C CE1 . TYR A 1 109 ? -32.095 -10.363 -8.472  1.00 13.85 ? 115 TYR B CE1 1 
ATOM   963  C CE2 . TYR A 1 109 ? -31.511 -10.018 -10.751 1.00 12.46 ? 115 TYR B CE2 1 
ATOM   964  C CZ  . TYR A 1 109 ? -31.759 -9.504  -9.491  1.00 12.67 ? 115 TYR B CZ  1 
ATOM   965  O OH  . TYR A 1 109 ? -31.739 -8.146  -9.250  1.00 14.20 ? 115 TYR B OH  1 
ATOM   966  N N   A GLU A 1 110 ? -33.348 -16.174 -12.167 0.25 11.57 ? 116 GLU B N   1 
ATOM   967  N N   B GLU A 1 110 ? -33.355 -16.151 -12.175 0.25 11.56 ? 116 GLU B N   1 
ATOM   968  C CA  A GLU A 1 110 ? -33.329 -17.607 -12.558 0.25 11.75 ? 116 GLU B CA  1 
ATOM   969  C CA  B GLU A 1 110 ? -33.366 -17.562 -12.637 0.25 11.68 ? 116 GLU B CA  1 
ATOM   970  C C   A GLU A 1 110 ? -32.406 -17.826 -13.757 0.25 10.22 ? 116 GLU B C   1 
ATOM   971  C C   B GLU A 1 110 ? -32.280 -17.760 -13.703 0.25 9.95  ? 116 GLU B C   1 
ATOM   972  O O   A GLU A 1 110 ? -32.324 -16.968 -14.637 0.25 10.19 ? 116 GLU B O   1 
ATOM   973  O O   B GLU A 1 110 ? -31.892 -16.782 -14.409 0.25 8.93  ? 116 GLU B O   1 
ATOM   974  C CB  A GLU A 1 110 ? -34.732 -18.105 -12.872 0.25 12.89 ? 116 GLU B CB  1 
ATOM   975  C CB  B GLU A 1 110 ? -34.736 -17.939 -13.194 0.25 13.07 ? 116 GLU B CB  1 
ATOM   976  C CG  A GLU A 1 110 ? -35.675 -18.003 -11.681 0.25 14.59 ? 116 GLU B CG  1 
ATOM   977  C CG  B GLU A 1 110 ? -35.869 -17.818 -12.183 0.25 15.46 ? 116 GLU B CG  1 
ATOM   978  C CD  A GLU A 1 110 ? -37.106 -18.363 -12.024 0.25 16.42 ? 116 GLU B CD  1 
ATOM   979  C CD  B GLU A 1 110 ? -36.007 -18.986 -11.215 0.25 16.99 ? 116 GLU B CD  1 
ATOM   980  O OE1 A GLU A 1 110 ? -37.523 -18.091 -13.164 0.25 18.54 ? 116 GLU B OE1 1 
ATOM   981  O OE1 B GLU A 1 110 ? -35.512 -20.088 -11.513 0.25 21.06 ? 116 GLU B OE1 1 
ATOM   982  O OE2 A GLU A 1 110 ? -37.798 -18.918 -11.147 0.25 17.07 ? 116 GLU B OE2 1 
ATOM   983  O OE2 B GLU A 1 110 ? -36.657 -18.796 -10.183 0.25 22.58 ? 116 GLU B OE2 1 
ATOM   984  N N   . ALA A 1 111 ? -31.764 -18.993 -13.797 1.00 10.34 ? 117 ALA B N   1 
ATOM   985  C CA  . ALA A 1 111 ? -30.992 -19.433 -14.973 1.00 10.02 ? 117 ALA B CA  1 
ATOM   986  C C   . ALA A 1 111 ? -31.930 -20.167 -15.914 1.00 10.73 ? 117 ALA B C   1 
ATOM   987  O O   . ALA A 1 111 ? -32.785 -20.976 -15.495 1.00 10.77 ? 117 ALA B O   1 
ATOM   988  C CB  . ALA A 1 111 ? -29.820 -20.322 -14.593 1.00 10.77 ? 117 ALA B CB  1 
ATOM   989  N N   . GLY A 1 112 ? -31.770 -19.910 -17.223 1.00 10.91 ? 118 GLY B N   1 
ATOM   990  C CA  . GLY A 1 112 ? -32.567 -20.498 -18.304 1.00 11.92 ? 118 GLY B CA  1 
ATOM   991  C C   . GLY A 1 112 ? -32.185 -21.918 -18.623 1.00 12.15 ? 118 GLY B C   1 
ATOM   992  O O   . GLY A 1 112 ? -31.905 -22.267 -19.754 1.00 14.10 ? 118 GLY B O   1 
ATOM   993  N N   . THR A 1 113 ? -32.152 -22.797 -17.645 1.00 13.90 ? 119 THR B N   1 
ATOM   994  C CA  . THR A 1 113 ? -32.151 -24.251 -17.843 1.00 15.06 ? 119 THR B CA  1 
ATOM   995  C C   . THR A 1 113 ? -33.581 -24.726 -18.101 1.00 15.09 ? 119 THR B C   1 
ATOM   996  O O   . THR A 1 113 ? -34.501 -23.933 -17.921 1.00 16.91 ? 119 THR B O   1 
ATOM   997  C CB  . THR A 1 113 ? -31.544 -24.885 -16.613 1.00 13.02 ? 119 THR B CB  1 
ATOM   998  O OG1 . THR A 1 113 ? -32.258 -24.448 -15.439 1.00 13.47 ? 119 THR B OG1 1 
ATOM   999  C CG2 . THR A 1 113 ? -30.097 -24.555 -16.439 1.00 14.22 ? 119 THR B CG2 1 
ATOM   1000 N N   . SER A 1 114 ? -33.771 -26.010 -18.436 1.00 18.23 ? 120 SER B N   1 
ATOM   1001 C CA  . SER A 1 114 ? -35.123 -26.564 -18.614 1.00 20.85 ? 120 SER B CA  1 
ATOM   1002 C C   . SER A 1 114 ? -35.302 -27.752 -17.669 1.00 22.20 ? 120 SER B C   1 
ATOM   1003 O O   . SER A 1 114 ? -34.639 -28.783 -17.826 1.00 24.05 ? 120 SER B O   1 
ATOM   1004 C CB  . SER A 1 114 ? -35.389 -26.919 -20.062 1.00 25.94 ? 120 SER B CB  1 
ATOM   1005 O OG  . SER A 1 114 ? -36.711 -27.438 -20.191 1.00 28.78 ? 120 SER B OG  1 
ATOM   1006 N N   . PRO A 1 115 ? -36.071 -27.601 -16.569 1.00 19.40 ? 121 PRO B N   1 
ATOM   1007 C CA  . PRO A 1 115 ? -36.746 -26.369 -16.183 1.00 20.30 ? 121 PRO B CA  1 
ATOM   1008 C C   . PRO A 1 115 ? -35.768 -25.355 -15.555 1.00 16.64 ? 121 PRO B C   1 
ATOM   1009 O O   . PRO A 1 115 ? -34.633 -25.694 -15.278 1.00 15.74 ? 121 PRO B O   1 
ATOM   1010 C CB  . PRO A 1 115 ? -37.786 -26.850 -15.169 1.00 23.32 ? 121 PRO B CB  1 
ATOM   1011 C CG  . PRO A 1 115 ? -37.093 -27.989 -14.476 1.00 23.32 ? 121 PRO B CG  1 
ATOM   1012 C CD  . PRO A 1 115 ? -36.265 -28.666 -15.555 1.00 22.01 ? 121 PRO B CD  1 
ATOM   1013 N N   . GLN A 1 116 ? -36.222 -24.139 -15.343 1.00 15.81 ? 122 GLN B N   1 
ATOM   1014 C CA  . GLN A 1 116 ? -35.367 -23.037 -14.866 1.00 15.06 ? 122 GLN B CA  1 
ATOM   1015 C C   . GLN A 1 116 ? -34.836 -23.324 -13.455 1.00 12.88 ? 122 GLN B C   1 
ATOM   1016 O O   . GLN A 1 116 ? -35.481 -24.050 -12.669 1.00 14.61 ? 122 GLN B O   1 
ATOM   1017 C CB  . GLN A 1 116 ? -36.087 -21.691 -14.971 1.00 19.54 ? 122 GLN B CB  1 
ATOM   1018 C CG  . GLN A 1 116 ? -37.158 -21.454 -13.933 1.00 26.68 ? 122 GLN B CG  1 
ATOM   1019 C CD  . GLN A 1 116 ? -38.522 -21.454 -14.564 1.00 37.10 ? 122 GLN B CD  1 
ATOM   1020 O OE1 . GLN A 1 116 ? -38.852 -22.318 -15.382 1.00 45.35 ? 122 GLN B OE1 1 
ATOM   1021 N NE2 . GLN A 1 116 ? -39.328 -20.493 -14.152 1.00 44.98 ? 122 GLN B NE2 1 
ATOM   1022 N N   . THR A 1 117 ? -33.721 -22.718 -13.156 1.00 11.66 ? 123 THR B N   1 
ATOM   1023 C CA  . THR A 1 117 ? -33.000 -22.906 -11.880 1.00 11.79 ? 123 THR B CA  1 
ATOM   1024 C C   . THR A 1 117 ? -33.011 -21.611 -11.086 1.00 11.69 ? 123 THR B C   1 
ATOM   1025 O O   . THR A 1 117 ? -32.566 -20.567 -11.579 1.00 12.48 ? 123 THR B O   1 
ATOM   1026 C CB  . THR A 1 117 ? -31.563 -23.388 -12.126 1.00 11.10 ? 123 THR B CB  1 
ATOM   1027 O OG1 . THR A 1 117 ? -31.604 -24.608 -12.865 1.00 12.63 ? 123 THR B OG1 1 
ATOM   1028 C CG2 . THR A 1 117 ? -30.798 -23.560 -10.832 1.00 11.80 ? 123 THR B CG2 1 
ATOM   1029 N N   . THR A 1 118 ? -33.406 -21.673 -9.815  1.00 11.92 ? 124 THR B N   1 
ATOM   1030 C CA  . THR A 1 118 ? -33.359 -20.533 -8.892  1.00 13.14 ? 124 THR B CA  1 
ATOM   1031 C C   . THR A 1 118 ? -31.940 -20.050 -8.652  1.00 12.56 ? 124 THR B C   1 
ATOM   1032 O O   . THR A 1 118 ? -31.031 -20.904 -8.358  1.00 14.45 ? 124 THR B O   1 
ATOM   1033 C CB  . THR A 1 118 ? -34.006 -20.989 -7.574  1.00 16.11 ? 124 THR B CB  1 
ATOM   1034 O OG1 . THR A 1 118 ? -35.374 -21.279 -7.843  1.00 18.53 ? 124 THR B OG1 1 
ATOM   1035 C CG2 . THR A 1 118 ? -33.842 -19.942 -6.496  1.00 19.19 ? 124 THR B CG2 1 
ATOM   1036 N N   . LEU A 1 119 ? -31.664 -18.768 -8.762  1.00 11.77 ? 125 LEU B N   1 
ATOM   1037 C CA  . LEU A 1 119 ? -30.373 -18.174 -8.435  1.00 11.40 ? 125 LEU B CA  1 
ATOM   1038 C C   . LEU A 1 119 ? -30.445 -17.561 -7.037  1.00 13.83 ? 125 LEU B C   1 
ATOM   1039 O O   . LEU A 1 119 ? -31.568 -17.294 -6.537  1.00 16.83 ? 125 LEU B O   1 
ATOM   1040 C CB  . LEU A 1 119 ? -29.930 -17.104 -9.442  1.00 11.19 ? 125 LEU B CB  1 
ATOM   1041 C CG  . LEU A 1 119 ? -29.853 -17.613 -10.885 1.00 10.93 ? 125 LEU B CG  1 
ATOM   1042 C CD1 . LEU A 1 119 ? -29.604 -16.484 -11.875 1.00 11.50 ? 125 LEU B CD1 1 
ATOM   1043 C CD2 . LEU A 1 119 ? -28.811 -18.721 -11.044 1.00 11.63 ? 125 LEU B CD2 1 
ATOM   1044 N N   . HIS A 1 120 ? -29.316 -17.467 -6.379  1.00 12.60 ? 126 HIS B N   1 
ATOM   1045 C CA  . HIS A 1 120 ? -29.200 -16.985 -4.978  1.00 13.62 ? 126 HIS B CA  1 
ATOM   1046 C C   . HIS A 1 120 ? -28.370 -15.712 -5.028  1.00 15.28 ? 126 HIS B C   1 
ATOM   1047 O O   . HIS A 1 120 ? -27.119 -15.804 -5.081  1.00 19.57 ? 126 HIS B O   1 
ATOM   1048 C CB  . HIS A 1 120 ? -28.557 -18.084 -4.105  1.00 14.91 ? 126 HIS B CB  1 
ATOM   1049 C CG  . HIS A 1 120 ? -29.330 -19.358 -4.068  1.00 15.95 ? 126 HIS B CG  1 
ATOM   1050 N ND1 . HIS A 1 120 ? -29.028 -20.439 -4.903  1.00 18.77 ? 126 HIS B ND1 1 
ATOM   1051 C CD2 . HIS A 1 120 ? -30.402 -19.725 -3.356  1.00 19.41 ? 126 HIS B CD2 1 
ATOM   1052 C CE1 . HIS A 1 120 ? -29.912 -21.402 -4.687  1.00 19.19 ? 126 HIS B CE1 1 
ATOM   1053 N NE2 . HIS A 1 120 ? -30.732 -21.019 -3.715  1.00 18.39 ? 126 HIS B NE2 1 
ATOM   1054 N N   . ILE A 1 121 ? -28.992 -14.560 -5.098  1.00 16.72 ? 127 ILE B N   1 
ATOM   1055 C CA  . ILE A 1 121 ? -28.270 -13.266 -5.211  1.00 19.62 ? 127 ILE B CA  1 
ATOM   1056 C C   . ILE A 1 121 ? -28.714 -12.400 -3.994  1.00 19.60 ? 127 ILE B C   1 
ATOM   1057 O O   . ILE A 1 121 ? -29.911 -12.168 -3.784  1.00 26.98 ? 127 ILE B O   1 
ATOM   1058 C CB  . ILE A 1 121 ? -28.501 -12.597 -6.593  1.00 21.04 ? 127 ILE B CB  1 
ATOM   1059 C CG1 . ILE A 1 121 ? -28.239 -13.531 -7.784  1.00 18.83 ? 127 ILE B CG1 1 
ATOM   1060 C CG2 . ILE A 1 121 ? -27.615 -11.359 -6.688  1.00 26.05 ? 127 ILE B CG2 1 
ATOM   1061 C CD1 . ILE A 1 121 ? -28.401 -12.892 -9.162  1.00 18.69 ? 127 ILE B CD1 1 
ATOM   1062 N N   . GLN A 1 122 ? -27.756 -12.066 -3.147  1.00 23.81 ? 128 GLN B N   1 
ATOM   1063 C CA  . GLN A 1 122 ? -28.005 -11.267 -1.908  1.00 25.45 ? 128 GLN B CA  1 
ATOM   1064 C C   . GLN A 1 122 ? -27.970 -9.773  -2.250  1.00 24.45 ? 128 GLN B C   1 
ATOM   1065 O O   . GLN A 1 122 ? -28.758 -9.001  -1.632  1.00 24.68 ? 128 GLN B O   1 
ATOM   1066 C CB  . GLN A 1 122 ? -26.941 -11.617 -0.860  1.00 28.37 ? 128 GLN B CB  1 
ATOM   1067 C CG  . GLN A 1 122 ? -27.078 -10.858 0.462   1.00 36.56 ? 128 GLN B CG  1 
ATOM   1068 C CD  . GLN A 1 122 ? -28.393 -11.089 1.175   1.00 39.56 ? 128 GLN B CD  1 
ATOM   1069 O OE1 . GLN A 1 122 ? -29.061 -12.105 0.995   1.00 47.88 ? 128 GLN B OE1 1 
ATOM   1070 N NE2 . GLN A 1 122 ? -28.789 -10.126 1.995   1.00 43.16 ? 128 GLN B NE2 1 
ATOM   1071 N N   . VAL A 1 123 ? -27.145 -9.382  -3.224  1.00 21.26 ? 129 VAL B N   1 
ATOM   1072 C CA  . VAL A 1 123 ? -26.953 -7.955  -3.644  1.00 18.81 ? 129 VAL B CA  1 
ATOM   1073 C C   . VAL A 1 123 ? -27.519 -7.774  -5.051  1.00 18.12 ? 129 VAL B C   1 
ATOM   1074 O O   . VAL A 1 123 ? -26.879 -8.255  -5.990  1.00 17.15 ? 129 VAL B O   1 
ATOM   1075 C CB  . VAL A 1 123 ? -25.463 -7.580  -3.600  1.00 20.37 ? 129 VAL B CB  1 
ATOM   1076 C CG1 . VAL A 1 123 ? -25.183 -6.164  -4.130  1.00 21.75 ? 129 VAL B CG1 1 
ATOM   1077 C CG2 . VAL A 1 123 ? -24.915 -7.721  -2.184  1.00 23.67 ? 129 VAL B CG2 1 
ATOM   1078 N N   . PRO A 1 124 ? -28.741 -7.232  -5.261  1.00 17.89 ? 130 PRO B N   1 
ATOM   1079 C CA  . PRO A 1 124 ? -29.301 -7.118  -6.610  1.00 17.85 ? 130 PRO B CA  1 
ATOM   1080 C C   . PRO A 1 124 ? -28.310 -6.426  -7.519  1.00 17.07 ? 130 PRO B C   1 
ATOM   1081 O O   . PRO A 1 124 ? -27.762 -5.375  -7.235  1.00 16.97 ? 130 PRO B O   1 
ATOM   1082 C CB  . PRO A 1 124 ? -30.536 -6.237  -6.385  1.00 20.75 ? 130 PRO B CB  1 
ATOM   1083 C CG  . PRO A 1 124 ? -30.967 -6.658  -4.983  1.00 21.25 ? 130 PRO B CG  1 
ATOM   1084 C CD  . PRO A 1 124 ? -29.679 -6.739  -4.225  1.00 20.21 ? 130 PRO B CD  1 
ATOM   1085 N N   . PRO A 1 125 ? -27.919 -7.048  -8.648  1.00 15.55 ? 131 PRO B N   1 
ATOM   1086 C CA  . PRO A 1 125 ? -26.910 -6.463  -9.497  1.00 14.76 ? 131 PRO B CA  1 
ATOM   1087 C C   . PRO A 1 125 ? -27.402 -5.253  -10.288 1.00 14.23 ? 131 PRO B C   1 
ATOM   1088 O O   . PRO A 1 125 ? -28.515 -5.273  -10.797 1.00 14.85 ? 131 PRO B O   1 
ATOM   1089 C CB  . PRO A 1 125 ? -26.485 -7.615  -10.436 1.00 15.32 ? 131 PRO B CB  1 
ATOM   1090 C CG  . PRO A 1 125 ? -27.597 -8.601  -10.349 1.00 17.33 ? 131 PRO B CG  1 
ATOM   1091 C CD  . PRO A 1 125 ? -28.275 -8.426  -9.014  1.00 15.84 ? 131 PRO B CD  1 
ATOM   1092 N N   . CYS A 1 126 ? -26.538 -4.251  -10.412 1.00 13.83 ? 132 CYS B N   1 
ATOM   1093 C CA  . CYS A 1 126 ? -26.753 -3.145  -11.381 1.00 14.74 ? 132 CYS B CA  1 
ATOM   1094 C C   . CYS A 1 126 ? -25.957 -3.375  -12.666 1.00 13.72 ? 132 CYS B C   1 
ATOM   1095 O O   . CYS A 1 126 ? -26.275 -2.787  -13.701 1.00 13.21 ? 132 CYS B O   1 
ATOM   1096 C CB  . CYS A 1 126 ? -26.382 -1.800  -10.791 1.00 16.77 ? 132 CYS B CB  1 
ATOM   1097 S SG  . CYS A 1 126 ? -27.373 -1.356  -9.330  1.00 24.12 ? 132 CYS B SG  1 
ATOM   1098 N N   A GLN A 1 127 ? -24.877 -4.171  -12.622 0.25 13.50 ? 133 GLN B N   1 
ATOM   1099 N N   B GLN A 1 127 ? -24.975 -4.272  -12.591 0.25 14.01 ? 133 GLN B N   1 
ATOM   1100 C CA  A GLN A 1 127 ? -24.124 -4.591  -13.843 0.25 13.68 ? 133 GLN B CA  1 
ATOM   1101 C CA  B GLN A 1 127 ? -24.127 -4.648  -13.744 0.25 14.71 ? 133 GLN B CA  1 
ATOM   1102 C C   A GLN A 1 127 ? -23.756 -6.075  -13.728 0.25 13.03 ? 133 GLN B C   1 
ATOM   1103 C C   B GLN A 1 127 ? -23.893 -6.158  -13.682 0.25 13.59 ? 133 GLN B C   1 
ATOM   1104 O O   A GLN A 1 127 ? -23.306 -6.501  -12.639 0.25 11.63 ? 133 GLN B O   1 
ATOM   1105 O O   B GLN A 1 127 ? -23.778 -6.726  -12.572 0.25 12.06 ? 133 GLN B O   1 
ATOM   1106 C CB  A GLN A 1 127 ? -22.837 -3.797  -14.106 0.25 15.06 ? 133 GLN B CB  1 
ATOM   1107 C CB  B GLN A 1 127 ? -22.838 -3.826  -13.753 0.25 17.29 ? 133 GLN B CB  1 
ATOM   1108 C CG  A GLN A 1 127 ? -23.024 -2.301  -14.329 0.25 16.19 ? 133 GLN B CG  1 
ATOM   1109 C CG  B GLN A 1 127 ? -23.082 -2.325  -13.793 0.25 19.14 ? 133 GLN B CG  1 
ATOM   1110 C CD  A GLN A 1 127 ? -22.953 -1.541  -13.027 0.25 17.52 ? 133 GLN B CD  1 
ATOM   1111 C CD  B GLN A 1 127 ? -21.851 -1.533  -14.153 0.25 20.79 ? 133 GLN B CD  1 
ATOM   1112 O OE1 A GLN A 1 127 ? -22.227 -1.924  -12.114 0.25 17.58 ? 133 GLN B OE1 1 
ATOM   1113 O OE1 B GLN A 1 127 ? -20.728 -2.021  -14.077 0.25 23.26 ? 133 GLN B OE1 1 
ATOM   1114 N NE2 A GLN A 1 127 ? -23.728 -0.469  -12.922 0.25 18.14 ? 133 GLN B NE2 1 
ATOM   1115 N NE2 B GLN A 1 127 ? -22.060 -0.290  -14.537 0.25 22.79 ? 133 GLN B NE2 1 
ATOM   1116 N N   . ILE A 1 128 ? -23.912 -6.787  -14.853 1.00 12.66 ? 134 ILE B N   1 
ATOM   1117 C CA  . ILE A 1 128 ? -23.726 -8.256  -15.006 1.00 12.08 ? 134 ILE B CA  1 
ATOM   1118 C C   . ILE A 1 128 ? -22.512 -8.429  -15.920 1.00 12.07 ? 134 ILE B C   1 
ATOM   1119 O O   . ILE A 1 128 ? -22.456 -7.824  -17.020 1.00 11.38 ? 134 ILE B O   1 
ATOM   1120 C CB  . ILE A 1 128 ? -24.970 -8.899  -15.632 1.00 12.72 ? 134 ILE B CB  1 
ATOM   1121 C CG1 . ILE A 1 128 ? -26.274 -8.688  -14.835 1.00 15.60 ? 134 ILE B CG1 1 
ATOM   1122 C CG2 . ILE A 1 128 ? -24.704 -10.383 -15.910 1.00 12.83 ? 134 ILE B CG2 1 
ATOM   1123 C CD1 . ILE A 1 128 ? -26.302 -9.467  -13.596 1.00 15.46 ? 134 ILE B CD1 1 
ATOM   1124 N N   . GLY A 1 129 ? -21.555 -9.280  -15.540 1.00 11.83 ? 135 GLY B N   1 
ATOM   1125 C CA  . GLY A 1 129 ? -20.480 -9.735  -16.419 1.00 11.13 ? 135 GLY B CA  1 
ATOM   1126 C C   . GLY A 1 129 ? -20.786 -11.095 -17.008 1.00 10.81 ? 135 GLY B C   1 
ATOM   1127 O O   . GLY A 1 129 ? -21.329 -11.959 -16.330 1.00 11.32 ? 135 GLY B O   1 
ATOM   1128 N N   . ILE A 1 130 ? -20.517 -11.247 -18.305 1.00 11.31 ? 136 ILE B N   1 
ATOM   1129 C CA  . ILE A 1 130 ? -20.783 -12.501 -19.060 1.00 11.09 ? 136 ILE B CA  1 
ATOM   1130 C C   . ILE A 1 130 ? -19.471 -12.993 -19.654 1.00 11.30 ? 136 ILE B C   1 
ATOM   1131 O O   . ILE A 1 130 ? -18.783 -12.234 -20.355 1.00 11.77 ? 136 ILE B O   1 
ATOM   1132 C CB  . ILE A 1 130 ? -21.825 -12.254 -20.165 1.00 11.69 ? 136 ILE B CB  1 
ATOM   1133 C CG1 . ILE A 1 130 ? -23.110 -11.725 -19.542 1.00 12.81 ? 136 ILE B CG1 1 
ATOM   1134 C CG2 . ILE A 1 130 ? -22.086 -13.532 -20.964 1.00 12.93 ? 136 ILE B CG2 1 
ATOM   1135 C CD1 . ILE A 1 130 ? -24.169 -11.397 -20.518 1.00 16.28 ? 136 ILE B CD1 1 
ATOM   1136 N N   . PHE A 1 131 ? -19.104 -14.211 -19.310 1.00 11.08 ? 137 PHE B N   1 
ATOM   1137 C CA  . PHE A 1 131 ? -17.864 -14.859 -19.779 1.00 10.59 ? 137 PHE B CA  1 
ATOM   1138 C C   . PHE A 1 131 ? -18.226 -16.088 -20.582 1.00 10.44 ? 137 PHE B C   1 
ATOM   1139 O O   . PHE A 1 131 ? -18.992 -16.930 -20.108 1.00 10.91 ? 137 PHE B O   1 
ATOM   1140 C CB  . PHE A 1 131 ? -17.001 -15.266 -18.593 1.00 11.55 ? 137 PHE B CB  1 
ATOM   1141 C CG  . PHE A 1 131 ? -15.741 -16.010 -18.955 1.00 12.94 ? 137 PHE B CG  1 
ATOM   1142 C CD1 . PHE A 1 131 ? -14.744 -15.370 -19.642 1.00 14.13 ? 137 PHE B CD1 1 
ATOM   1143 C CD2 . PHE A 1 131 ? -15.555 -17.331 -18.607 1.00 14.47 ? 137 PHE B CD2 1 
ATOM   1144 C CE1 . PHE A 1 131 ? -13.581 -16.057 -19.991 1.00 16.61 ? 137 PHE B CE1 1 
ATOM   1145 C CE2 . PHE A 1 131 ? -14.401 -18.027 -18.967 1.00 16.40 ? 137 PHE B CE2 1 
ATOM   1146 C CZ  . PHE A 1 131 ? -13.428 -17.373 -19.659 1.00 15.75 ? 137 PHE B CZ  1 
ATOM   1147 N N   . VAL A 1 132 ? -17.635 -16.224 -21.769 1.00 11.14 ? 138 VAL B N   1 
ATOM   1148 C CA  . VAL A 1 132 ? -17.789 -17.398 -22.654 1.00 11.81 ? 138 VAL B CA  1 
ATOM   1149 C C   . VAL A 1 132 ? -16.408 -17.996 -22.922 1.00 10.93 ? 138 VAL B C   1 
ATOM   1150 O O   . VAL A 1 132 ? -15.538 -17.275 -23.393 1.00 12.41 ? 138 VAL B O   1 
ATOM   1151 C CB  . VAL A 1 132 ? -18.530 -17.047 -23.945 1.00 11.56 ? 138 VAL B CB  1 
ATOM   1152 C CG1 . VAL A 1 132 ? -18.679 -18.288 -24.804 1.00 13.54 ? 138 VAL B CG1 1 
ATOM   1153 C CG2 . VAL A 1 132 ? -19.897 -16.430 -23.644 1.00 13.28 ? 138 VAL B CG2 1 
ATOM   1154 N N   . ASP A 1 133 ? -16.272 -19.267 -22.627 1.00 10.94 ? 139 ASP B N   1 
ATOM   1155 C CA  . ASP A 1 133 ? -15.075 -20.050 -23.064 1.00 11.94 ? 139 ASP B CA  1 
ATOM   1156 C C   . ASP A 1 133 ? -15.565 -21.056 -24.089 1.00 10.90 ? 139 ASP B C   1 
ATOM   1157 O O   . ASP A 1 133 ? -16.192 -22.050 -23.733 1.00 11.27 ? 139 ASP B O   1 
ATOM   1158 C CB  . ASP A 1 133 ? -14.346 -20.666 -21.890 1.00 12.72 ? 139 ASP B CB  1 
ATOM   1159 C CG  . ASP A 1 133 ? -13.081 -21.440 -22.260 1.00 15.11 ? 139 ASP B CG  1 
ATOM   1160 O OD1 . ASP A 1 133 ? -12.936 -21.883 -23.430 1.00 15.99 ? 139 ASP B OD1 1 
ATOM   1161 O OD2 . ASP A 1 133 ? -12.254 -21.581 -21.312 1.00 19.51 ? 139 ASP B OD2 1 
ATOM   1162 N N   . TYR A 1 134 ? -15.347 -20.751 -25.376 1.00 12.08 ? 140 TYR B N   1 
ATOM   1163 C CA  . TYR A 1 134 ? -15.940 -21.591 -26.443 1.00 12.24 ? 140 TYR B CA  1 
ATOM   1164 C C   . TYR A 1 134 ? -15.417 -23.036 -26.390 1.00 13.52 ? 140 TYR B C   1 
ATOM   1165 O O   . TYR A 1 134 ? -16.143 -23.995 -26.363 1.00 14.58 ? 140 TYR B O   1 
ATOM   1166 C CB  . TYR A 1 134 ? -15.678 -20.955 -27.815 1.00 12.07 ? 140 TYR B CB  1 
ATOM   1167 C CG  . TYR A 1 134 ? -16.598 -21.556 -28.863 1.00 12.28 ? 140 TYR B CG  1 
ATOM   1168 C CD1 . TYR A 1 134 ? -16.392 -22.815 -29.404 1.00 12.90 ? 140 TYR B CD1 1 
ATOM   1169 C CD2 . TYR A 1 134 ? -17.758 -20.893 -29.269 1.00 12.32 ? 140 TYR B CD2 1 
ATOM   1170 C CE1 . TYR A 1 134 ? -17.282 -23.404 -30.274 1.00 12.54 ? 140 TYR B CE1 1 
ATOM   1171 C CE2 . TYR A 1 134 ? -18.659 -21.460 -30.159 1.00 12.47 ? 140 TYR B CE2 1 
ATOM   1172 C CZ  . TYR A 1 134 ? -18.433 -22.723 -30.673 1.00 12.01 ? 140 TYR B CZ  1 
ATOM   1173 O OH  . TYR A 1 134 ? -19.326 -23.334 -31.515 1.00 12.62 ? 140 TYR B OH  1 
ATOM   1174 N N   . GLU A 1 135 ? -14.115 -23.164 -26.268 1.00 14.58 ? 141 GLU B N   1 
ATOM   1175 C CA  . GLU A 1 135 ? -13.458 -24.504 -26.300 1.00 15.64 ? 141 GLU B CA  1 
ATOM   1176 C C   . GLU A 1 135 ? -13.871 -25.330 -25.092 1.00 15.21 ? 141 GLU B C   1 
ATOM   1177 O O   . GLU A 1 135 ? -14.192 -26.503 -25.254 1.00 17.75 ? 141 GLU B O   1 
ATOM   1178 C CB  . GLU A 1 135 ? -11.943 -24.379 -26.357 1.00 17.55 ? 141 GLU B CB  1 
ATOM   1179 C CG  . GLU A 1 135 ? -11.460 -24.168 -27.785 1.00 25.51 ? 141 GLU B CG  1 
ATOM   1180 C CD  . GLU A 1 135 ? -11.888 -22.880 -28.403 1.00 28.28 ? 141 GLU B CD  1 
ATOM   1181 O OE1 . GLU A 1 135 ? -12.193 -22.885 -29.560 1.00 24.82 ? 141 GLU B OE1 1 
ATOM   1182 O OE2 . GLU A 1 135 ? -11.907 -21.854 -27.682 1.00 30.65 ? 141 GLU B OE2 1 
ATOM   1183 N N   . ALA A 1 136 ? -13.940 -24.733 -23.904 1.00 13.76 ? 142 ALA B N   1 
ATOM   1184 C CA  . ALA A 1 136 ? -14.304 -25.436 -22.673 1.00 14.92 ? 142 ALA B CA  1 
ATOM   1185 C C   . ALA A 1 136 ? -15.806 -25.718 -22.604 1.00 14.68 ? 142 ALA B C   1 
ATOM   1186 O O   . ALA A 1 136 ? -16.223 -26.603 -21.846 1.00 16.76 ? 142 ALA B O   1 
ATOM   1187 C CB  . ALA A 1 136 ? -13.878 -24.621 -21.476 1.00 16.42 ? 142 ALA B CB  1 
ATOM   1188 N N   . GLY A 1 137 ? -16.640 -25.051 -23.401 1.00 12.48 ? 143 GLY B N   1 
ATOM   1189 C CA  . GLY A 1 137 ? -18.096 -25.198 -23.308 1.00 11.92 ? 143 GLY B CA  1 
ATOM   1190 C C   . GLY A 1 137 ? -18.668 -24.575 -22.019 1.00 10.82 ? 143 GLY B C   1 
ATOM   1191 O O   . GLY A 1 137 ? -19.428 -25.273 -21.321 1.00 11.67 ? 143 GLY B O   1 
ATOM   1192 N N   . VAL A 1 138 ? -18.244 -23.356 -21.706 1.00 11.31 ? 144 VAL B N   1 
ATOM   1193 C CA  . VAL A 1 138 ? -18.655 -22.663 -20.441 1.00 11.34 ? 144 VAL B CA  1 
ATOM   1194 C C   . VAL A 1 138 ? -19.277 -21.316 -20.789 1.00 10.86 ? 144 VAL B C   1 
ATOM   1195 O O   . VAL A 1 138 ? -18.682 -20.526 -21.546 1.00 11.06 ? 144 VAL B O   1 
ATOM   1196 C CB  . VAL A 1 138 ? -17.422 -22.495 -19.538 1.00 11.89 ? 144 VAL B CB  1 
ATOM   1197 C CG1 . VAL A 1 138 ? -17.678 -21.527 -18.376 1.00 12.98 ? 144 VAL B CG1 1 
ATOM   1198 C CG2 . VAL A 1 138 ? -16.958 -23.856 -19.041 1.00 14.11 ? 144 VAL B CG2 1 
ATOM   1199 N N   . VAL A 1 139 ? -20.350 -20.996 -20.082 1.00 10.49 ? 145 VAL B N   1 
ATOM   1200 C CA  . VAL A 1 139 ? -20.920 -19.609 -20.017 1.00 10.13 ? 145 VAL B CA  1 
ATOM   1201 C C   . VAL A 1 139 ? -21.131 -19.256 -18.542 1.00 9.39  ? 145 VAL B C   1 
ATOM   1202 O O   . VAL A 1 139 ? -21.884 -19.992 -17.878 1.00 10.26 ? 145 VAL B O   1 
ATOM   1203 C CB  . VAL A 1 139 ? -22.239 -19.505 -20.793 1.00 10.13 ? 145 VAL B CB  1 
ATOM   1204 C CG1 . VAL A 1 139 ? -22.750 -18.060 -20.788 1.00 10.77 ? 145 VAL B CG1 1 
ATOM   1205 C CG2 . VAL A 1 139 ? -22.092 -20.051 -22.208 1.00 10.32 ? 145 VAL B CG2 1 
ATOM   1206 N N   . SER A 1 140 ? -20.462 -18.231 -18.067 1.00 9.15  ? 146 SER B N   1 
ATOM   1207 C CA  . SER A 1 140 ? -20.569 -17.813 -16.652 1.00 10.60 ? 146 SER B CA  1 
ATOM   1208 C C   . SER A 1 140 ? -21.041 -16.370 -16.539 1.00 9.80  ? 146 SER B C   1 
ATOM   1209 O O   . SER A 1 140 ? -20.738 -15.546 -17.378 1.00 10.97 ? 146 SER B O   1 
ATOM   1210 C CB  . SER A 1 140 ? -19.237 -18.007 -15.925 1.00 10.73 ? 146 SER B CB  1 
ATOM   1211 O OG  . SER A 1 140 ? -18.876 -19.386 -15.838 1.00 12.19 ? 146 SER B OG  1 
ATOM   1212 N N   . PHE A 1 141 ? -21.720 -16.109 -15.433 1.00 9.43  ? 147 PHE B N   1 
ATOM   1213 C CA  . PHE A 1 141 ? -22.349 -14.814 -15.124 1.00 10.23 ? 147 PHE B CA  1 
ATOM   1214 C C   . PHE A 1 141 ? -21.829 -14.341 -13.775 1.00 10.00 ? 147 PHE B C   1 
ATOM   1215 O O   . PHE A 1 141 ? -21.818 -15.135 -12.795 1.00 10.42 ? 147 PHE B O   1 
ATOM   1216 C CB  . PHE A 1 141 ? -23.893 -14.901 -15.115 1.00 9.95  ? 147 PHE B CB  1 
ATOM   1217 C CG  . PHE A 1 141 ? -24.472 -15.323 -16.442 1.00 9.87  ? 147 PHE B CG  1 
ATOM   1218 C CD1 . PHE A 1 141 ? -24.517 -16.664 -16.837 1.00 9.83  ? 147 PHE B CD1 1 
ATOM   1219 C CD2 . PHE A 1 141 ? -24.964 -14.344 -17.301 1.00 9.66  ? 147 PHE B CD2 1 
ATOM   1220 C CE1 . PHE A 1 141 ? -25.031 -17.007 -18.082 1.00 9.99  ? 147 PHE B CE1 1 
ATOM   1221 C CE2 . PHE A 1 141 ? -25.474 -14.708 -18.545 1.00 9.63  ? 147 PHE B CE2 1 
ATOM   1222 C CZ  . PHE A 1 141 ? -25.519 -16.040 -18.923 1.00 9.57  ? 147 PHE B CZ  1 
ATOM   1223 N N   . TYR A 1 142 ? -21.490 -13.064 -13.690 1.00 10.61 ? 148 TYR B N   1 
ATOM   1224 C CA  . TYR A 1 142 ? -20.825 -12.444 -12.516 1.00 11.97 ? 148 TYR B CA  1 
ATOM   1225 C C   . TYR A 1 142 ? -21.607 -11.209 -12.096 1.00 12.62 ? 148 TYR B C   1 
ATOM   1226 O O   . TYR A 1 142 ? -22.070 -10.399 -12.911 1.00 12.16 ? 148 TYR B O   1 
ATOM   1227 C CB  . TYR A 1 142 ? -19.361 -12.144 -12.799 1.00 12.35 ? 148 TYR B CB  1 
ATOM   1228 C CG  . TYR A 1 142 ? -18.555 -13.386 -13.069 1.00 12.52 ? 148 TYR B CG  1 
ATOM   1229 C CD1 . TYR A 1 142 ? -18.053 -14.178 -12.053 1.00 13.07 ? 148 TYR B CD1 1 
ATOM   1230 C CD2 . TYR A 1 142 ? -18.372 -13.837 -14.368 1.00 13.36 ? 148 TYR B CD2 1 
ATOM   1231 C CE1 . TYR A 1 142 ? -17.376 -15.359 -12.317 1.00 13.70 ? 148 TYR B CE1 1 
ATOM   1232 C CE2 . TYR A 1 142 ? -17.707 -15.013 -14.653 1.00 13.57 ? 148 TYR B CE2 1 
ATOM   1233 C CZ  . TYR A 1 142 ? -17.185 -15.780 -13.623 1.00 14.06 ? 148 TYR B CZ  1 
ATOM   1234 O OH  . TYR A 1 142 ? -16.521 -16.971 -13.870 1.00 15.92 ? 148 TYR B OH  1 
ATOM   1235 N N   . ASN A 1 143 ? -21.645 -10.975 -10.787 1.00 13.65 ? 149 ASN B N   1 
ATOM   1236 C CA  . ASN A 1 143 ? -22.351 -9.821  -10.160 1.00 12.90 ? 149 ASN B CA  1 
ATOM   1237 C C   . ASN A 1 143 ? -21.335 -8.694  -9.978  1.00 12.89 ? 149 ASN B C   1 
ATOM   1238 O O   . ASN A 1 143 ? -20.549 -8.726  -8.973  1.00 14.71 ? 149 ASN B O   1 
ATOM   1239 C CB  . ASN A 1 143 ? -22.955 -10.244 -8.826  1.00 12.99 ? 149 ASN B CB  1 
ATOM   1240 C CG  . ASN A 1 143 ? -23.794 -9.150  -8.177  1.00 13.94 ? 149 ASN B CG  1 
ATOM   1241 O OD1 . ASN A 1 143 ? -23.649 -7.980  -8.543  1.00 15.14 ? 149 ASN B OD1 1 
ATOM   1242 N ND2 . ASN A 1 143 ? -24.663 -9.539  -7.304  1.00 14.51 ? 149 ASN B ND2 1 
ATOM   1243 N N   . ILE A 1 144 ? -21.256 -7.716  -10.871 1.00 14.09 ? 150 ILE B N   1 
ATOM   1244 C CA  . ILE A 1 144 ? -20.190 -6.691  -10.816 1.00 15.38 ? 150 ILE B CA  1 
ATOM   1245 C C   . ILE A 1 144 ? -20.442 -5.823  -9.573  1.00 17.03 ? 150 ILE B C   1 
ATOM   1246 O O   . ILE A 1 144 ? -19.444 -5.346  -8.983  1.00 18.93 ? 150 ILE B O   1 
ATOM   1247 C CB  . ILE A 1 144 ? -20.165 -5.877  -12.121 1.00 16.03 ? 150 ILE B CB  1 
ATOM   1248 C CG1 . ILE A 1 144 ? -19.989 -6.776  -13.354 1.00 17.00 ? 150 ILE B CG1 1 
ATOM   1249 C CG2 . ILE A 1 144 ? -19.136 -4.750  -12.073 1.00 17.66 ? 150 ILE B CG2 1 
ATOM   1250 C CD1 . ILE A 1 144 ? -18.958 -7.832  -13.206 1.00 20.99 ? 150 ILE B CD1 1 
ATOM   1251 N N   . THR A 1 145 ? -21.687 -5.597  -9.195  1.00 16.35 ? 151 THR B N   1 
ATOM   1252 C CA  . THR A 1 145 ? -22.071 -4.756  -8.014  1.00 17.72 ? 151 THR B CA  1 
ATOM   1253 C C   . THR A 1 145 ? -21.506 -5.393  -6.748  1.00 20.45 ? 151 THR B C   1 
ATOM   1254 O O   . THR A 1 145 ? -21.099 -4.640  -5.840  1.00 23.60 ? 151 THR B O   1 
ATOM   1255 C CB  . THR A 1 145 ? -23.595 -4.603  -7.956  1.00 16.44 ? 151 THR B CB  1 
ATOM   1256 O OG1 . THR A 1 145 ? -24.045 -4.132  -9.225  1.00 16.59 ? 151 THR B OG1 1 
ATOM   1257 C CG2 . THR A 1 145 ? -24.011 -3.614  -6.885  1.00 18.21 ? 151 THR B CG2 1 
ATOM   1258 N N   . ASP A 1 146 ? -21.420 -6.716  -6.676  1.00 18.53 ? 152 ASP B N   1 
ATOM   1259 C CA  . ASP A 1 146 ? -20.908 -7.469  -5.494  1.00 19.71 ? 152 ASP B CA  1 
ATOM   1260 C C   . ASP A 1 146 ? -19.492 -8.008  -5.761  1.00 20.69 ? 152 ASP B C   1 
ATOM   1261 O O   . ASP A 1 146 ? -19.290 -9.224  -5.596  1.00 21.35 ? 152 ASP B O   1 
ATOM   1262 C CB  . ASP A 1 146 ? -21.939 -8.498  -5.084  1.00 19.72 ? 152 ASP B CB  1 
ATOM   1263 C CG  . ASP A 1 146 ? -21.541 -9.312  -3.871  1.00 24.16 ? 152 ASP B CG  1 
ATOM   1264 O OD1 . ASP A 1 146 ? -21.038 -8.710  -2.909  1.00 25.59 ? 152 ASP B OD1 1 
ATOM   1265 O OD2 . ASP A 1 146 ? -21.718 -10.533 -3.924  1.00 24.06 ? 152 ASP B OD2 1 
ATOM   1266 N N   . HIS A 1 147 ? -18.559 -7.160  -6.160  1.00 22.74 ? 153 HIS B N   1 
ATOM   1267 C CA  . HIS A 1 147 ? -17.113 -7.498  -6.253  1.00 26.30 ? 153 HIS B CA  1 
ATOM   1268 C C   . HIS A 1 147 ? -16.936 -8.693  -7.202  1.00 24.79 ? 153 HIS B C   1 
ATOM   1269 O O   . HIS A 1 147 ? -16.033 -9.498  -6.997  1.00 26.00 ? 153 HIS B O   1 
ATOM   1270 C CB  . HIS A 1 147 ? -16.503 -7.867  -4.882  1.00 31.59 ? 153 HIS B CB  1 
ATOM   1271 C CG  . HIS A 1 147 ? -16.868 -7.024  -3.697  1.00 38.55 ? 153 HIS B CG  1 
ATOM   1272 N ND1 . HIS A 1 147 ? -16.239 -5.821  -3.416  1.00 43.49 ? 153 HIS B ND1 1 
ATOM   1273 C CD2 . HIS A 1 147 ? -17.730 -7.249  -2.676  1.00 42.57 ? 153 HIS B CD2 1 
ATOM   1274 C CE1 . HIS A 1 147 ? -16.736 -5.313  -2.301  1.00 46.75 ? 153 HIS B CE1 1 
ATOM   1275 N NE2 . HIS A 1 147 ? -17.653 -6.173  -1.822  1.00 45.27 ? 153 HIS B NE2 1 
ATOM   1276 N N   . GLY A 1 148 ? -17.794 -8.838  -8.205  1.00 20.07 ? 154 GLY B N   1 
ATOM   1277 C CA  . GLY A 1 148 ? -17.600 -9.871  -9.245  1.00 17.18 ? 154 GLY B CA  1 
ATOM   1278 C C   . GLY A 1 148 ? -17.987 -11.265 -8.794  1.00 15.40 ? 154 GLY B C   1 
ATOM   1279 O O   . GLY A 1 148 ? -17.489 -12.193 -9.401  1.00 16.17 ? 154 GLY B O   1 
ATOM   1280 N N   . SER A 1 149 ? -18.816 -11.410 -7.797  1.00 14.84 ? 155 SER B N   1 
ATOM   1281 C CA  . SER A 1 149 ? -19.192 -12.738 -7.269  1.00 13.51 ? 155 SER B CA  1 
ATOM   1282 C C   . SER A 1 149 ? -19.883 -13.575 -8.356  1.00 13.88 ? 155 SER B C   1 
ATOM   1283 O O   . SER A 1 149 ? -20.671 -13.044 -9.175  1.00 13.36 ? 155 SER B O   1 
ATOM   1284 C CB  . SER A 1 149 ? -20.021 -12.618 -6.025  1.00 14.29 ? 155 SER B CB  1 
ATOM   1285 O OG  . SER A 1 149 ? -21.227 -11.887 -6.221  1.00 15.44 ? 155 SER B OG  1 
ATOM   1286 N N   . LEU A 1 150 ? -19.684 -14.868 -8.346  1.00 12.37 ? 156 LEU B N   1 
ATOM   1287 C CA  . LEU A 1 150 ? -20.322 -15.770 -9.332  1.00 11.61 ? 156 LEU B CA  1 
ATOM   1288 C C   . LEU A 1 150 ? -21.815 -15.810 -9.092  1.00 11.36 ? 156 LEU B C   1 
ATOM   1289 O O   . LEU A 1 150 ? -22.317 -16.025 -7.966  1.00 12.04 ? 156 LEU B O   1 
ATOM   1290 C CB  . LEU A 1 150 ? -19.720 -17.167 -9.188  1.00 12.09 ? 156 LEU B CB  1 
ATOM   1291 C CG  . LEU A 1 150 ? -20.283 -18.225 -10.145 1.00 11.83 ? 156 LEU B CG  1 
ATOM   1292 C CD1 . LEU A 1 150 ? -19.925 -17.939 -11.586 1.00 12.27 ? 156 LEU B CD1 1 
ATOM   1293 C CD2 . LEU A 1 150 ? -19.711 -19.601 -9.756  1.00 12.90 ? 156 LEU B CD2 1 
ATOM   1294 N N   . ILE A 1 151 ? -22.577 -15.677 -10.182 1.00 10.99 ? 157 ILE B N   1 
ATOM   1295 C CA  . ILE A 1 151 ? -24.027 -15.889 -10.210 1.00 11.17 ? 157 ILE B CA  1 
ATOM   1296 C C   . ILE A 1 151 ? -24.380 -17.299 -10.678 1.00 9.98  ? 157 ILE B C   1 
ATOM   1297 O O   . ILE A 1 151 ? -25.172 -18.013 -10.077 1.00 10.02 ? 157 ILE B O   1 
ATOM   1298 C CB  . ILE A 1 151 ? -24.701 -14.817 -11.089 1.00 11.70 ? 157 ILE B CB  1 
ATOM   1299 C CG1 . ILE A 1 151 ? -24.547 -13.430 -10.473 1.00 12.10 ? 157 ILE B CG1 1 
ATOM   1300 C CG2 . ILE A 1 151 ? -26.173 -15.151 -11.285 1.00 11.95 ? 157 ILE B CG2 1 
ATOM   1301 C CD1 . ILE A 1 151 ? -24.993 -12.311 -11.414 1.00 12.16 ? 157 ILE B CD1 1 
ATOM   1302 N N   . TYR A 1 152 ? -23.819 -17.735 -11.817 1.00 10.02 ? 158 TYR B N   1 
ATOM   1303 C CA  . TYR A 1 152 ? -24.211 -19.037 -12.402 1.00 9.72  ? 158 TYR B CA  1 
ATOM   1304 C C   . TYR A 1 152 ? -23.176 -19.452 -13.451 1.00 9.51  ? 158 TYR B C   1 
ATOM   1305 O O   . TYR A 1 152 ? -22.692 -18.571 -14.197 1.00 10.08 ? 158 TYR B O   1 
ATOM   1306 C CB  . TYR A 1 152 ? -25.581 -18.961 -13.123 1.00 9.39  ? 158 TYR B CB  1 
ATOM   1307 C CG  . TYR A 1 152 ? -26.133 -20.310 -13.467 1.00 9.43  ? 158 TYR B CG  1 
ATOM   1308 C CD1 . TYR A 1 152 ? -26.752 -21.121 -12.520 1.00 9.70  ? 158 TYR B CD1 1 
ATOM   1309 C CD2 . TYR A 1 152 ? -25.991 -20.840 -14.752 1.00 9.85  ? 158 TYR B CD2 1 
ATOM   1310 C CE1 . TYR A 1 152 ? -27.198 -22.391 -12.822 1.00 10.88 ? 158 TYR B CE1 1 
ATOM   1311 C CE2 . TYR A 1 152 ? -26.469 -22.087 -15.070 1.00 10.10 ? 158 TYR B CE2 1 
ATOM   1312 C CZ  . TYR A 1 152 ? -27.014 -22.894 -14.094 1.00 10.44 ? 158 TYR B CZ  1 
ATOM   1313 O OH  . TYR A 1 152 ? -27.447 -24.163 -14.370 1.00 12.96 ? 158 TYR B OH  1 
ATOM   1314 N N   . THR A 1 153 ? -22.886 -20.753 -13.564 1.00 9.70  ? 159 THR B N   1 
ATOM   1315 C CA  . THR A 1 153 ? -22.069 -21.346 -14.635 1.00 9.81  ? 159 THR B CA  1 
ATOM   1316 C C   . THR A 1 153 ? -22.834 -22.451 -15.317 1.00 9.45  ? 159 THR B C   1 
ATOM   1317 O O   . THR A 1 153 ? -23.211 -23.427 -14.714 1.00 10.61 ? 159 THR B O   1 
ATOM   1318 C CB  . THR A 1 153 ? -20.735 -21.894 -14.093 1.00 10.17 ? 159 THR B CB  1 
ATOM   1319 O OG1 . THR A 1 153 ? -19.970 -20.765 -13.674 1.00 11.10 ? 159 THR B OG1 1 
ATOM   1320 C CG2 . THR A 1 153 ? -19.998 -22.703 -15.143 1.00 11.70 ? 159 THR B CG2 1 
ATOM   1321 N N   . PHE A 1 154 ? -23.057 -22.278 -16.636 1.00 9.70  ? 160 PHE B N   1 
ATOM   1322 C CA  . PHE A 1 154 ? -23.433 -23.382 -17.549 1.00 9.79  ? 160 PHE B CA  1 
ATOM   1323 C C   . PHE A 1 154 ? -22.125 -24.066 -17.985 1.00 10.36 ? 160 PHE B C   1 
ATOM   1324 O O   . PHE A 1 154 ? -21.266 -23.420 -18.544 1.00 10.68 ? 160 PHE B O   1 
ATOM   1325 C CB  . PHE A 1 154 ? -24.122 -22.883 -18.815 1.00 10.23 ? 160 PHE B CB  1 
ATOM   1326 C CG  . PHE A 1 154 ? -25.490 -22.256 -18.642 1.00 8.78  ? 160 PHE B CG  1 
ATOM   1327 C CD1 . PHE A 1 154 ? -25.647 -20.906 -18.383 1.00 8.79  ? 160 PHE B CD1 1 
ATOM   1328 C CD2 . PHE A 1 154 ? -26.611 -23.019 -18.838 1.00 9.01  ? 160 PHE B CD2 1 
ATOM   1329 C CE1 . PHE A 1 154 ? -26.923 -20.350 -18.314 1.00 9.54  ? 160 PHE B CE1 1 
ATOM   1330 C CE2 . PHE A 1 154 ? -27.893 -22.469 -18.750 1.00 9.75  ? 160 PHE B CE2 1 
ATOM   1331 C CZ  . PHE A 1 154 ? -28.029 -21.134 -18.490 1.00 9.16  ? 160 PHE B CZ  1 
ATOM   1332 N N   . SER A 1 155 ? -22.027 -25.364 -17.699 1.00 11.74 ? 161 SER B N   1 
ATOM   1333 C CA  . SER A 1 155 ? -20.862 -26.136 -18.177 1.00 13.00 ? 161 SER B CA  1 
ATOM   1334 C C   . SER A 1 155 ? -21.354 -27.284 -19.041 1.00 13.14 ? 161 SER B C   1 
ATOM   1335 O O   . SER A 1 155 ? -22.536 -27.566 -19.124 1.00 14.62 ? 161 SER B O   1 
ATOM   1336 C CB  . SER A 1 155 ? -20.050 -26.563 -16.985 1.00 14.08 ? 161 SER B CB  1 
ATOM   1337 O OG  . SER A 1 155 ? -20.764 -27.503 -16.231 1.00 18.26 ? 161 SER B OG  1 
ATOM   1338 N N   . GLU A 1 156 ? -20.406 -27.934 -19.734 1.00 15.03 ? 162 GLU B N   1 
ATOM   1339 C CA  . GLU A 1 156 ? -20.730 -29.013 -20.713 1.00 17.11 ? 162 GLU B CA  1 
ATOM   1340 C C   . GLU A 1 156 ? -21.699 -28.459 -21.763 1.00 15.19 ? 162 GLU B C   1 
ATOM   1341 O O   . GLU A 1 156 ? -22.621 -29.182 -22.210 1.00 16.70 ? 162 GLU B O   1 
ATOM   1342 C CB  . GLU A 1 156 ? -21.358 -30.229 -20.038 1.00 21.65 ? 162 GLU B CB  1 
ATOM   1343 C CG  . GLU A 1 156 ? -20.683 -30.722 -18.771 1.00 27.54 ? 162 GLU B CG  1 
ATOM   1344 C CD  . GLU A 1 156 ? -21.346 -32.028 -18.377 1.00 37.27 ? 162 GLU B CD  1 
ATOM   1345 O OE1 . GLU A 1 156 ? -22.419 -31.995 -17.717 1.00 39.27 ? 162 GLU B OE1 1 
ATOM   1346 O OE2 . GLU A 1 156 ? -20.861 -33.072 -18.850 1.00 43.41 ? 162 GLU B OE2 1 
ATOM   1347 N N   . CYS A 1 157 ? -21.472 -27.204 -22.147 1.00 13.49 ? 163 CYS B N   1 
ATOM   1348 C CA  . CYS A 1 157 ? -22.350 -26.564 -23.154 1.00 12.54 ? 163 CYS B CA  1 
ATOM   1349 C C   . CYS A 1 157 ? -22.120 -27.212 -24.524 1.00 13.52 ? 163 CYS B C   1 
ATOM   1350 O O   . CYS A 1 157 ? -20.934 -27.403 -24.892 1.00 15.27 ? 163 CYS B O   1 
ATOM   1351 C CB  . CYS A 1 157 ? -22.160 -25.051 -23.278 1.00 11.40 ? 163 CYS B CB  1 
ATOM   1352 S SG  . CYS A 1 157 ? -22.604 -24.131 -21.777 1.00 12.50 ? 163 CYS B SG  1 
ATOM   1353 N N   . VAL A 1 158 ? -23.192 -27.434 -25.257 1.00 13.33 ? 164 VAL B N   1 
ATOM   1354 C CA  . VAL A 1 158 ? -23.053 -27.946 -26.642 1.00 13.62 ? 164 VAL B CA  1 
ATOM   1355 C C   . VAL A 1 158 ? -23.523 -26.799 -27.541 1.00 12.76 ? 164 VAL B C   1 
ATOM   1356 O O   . VAL A 1 158 ? -24.707 -26.718 -27.905 1.00 14.57 ? 164 VAL B O   1 
ATOM   1357 C CB  . VAL A 1 158 ? -23.798 -29.296 -26.796 1.00 16.08 ? 164 VAL B CB  1 
ATOM   1358 C CG1 . VAL A 1 158 ? -23.635 -29.783 -28.240 1.00 16.61 ? 164 VAL B CG1 1 
ATOM   1359 C CG2 . VAL A 1 158 ? -23.304 -30.344 -25.787 1.00 17.82 ? 164 VAL B CG2 1 
ATOM   1360 N N   . PHE A 1 159 ? -22.641 -25.870 -27.890 1.00 12.32 ? 165 PHE B N   1 
ATOM   1361 C CA  . PHE A 1 159 ? -22.962 -24.641 -28.639 1.00 12.42 ? 165 PHE B CA  1 
ATOM   1362 C C   . PHE A 1 159 ? -23.533 -24.998 -30.006 1.00 14.07 ? 165 PHE B C   1 
ATOM   1363 O O   . PHE A 1 159 ? -24.542 -24.408 -30.427 1.00 14.49 ? 165 PHE B O   1 
ATOM   1364 C CB  . PHE A 1 159 ? -21.779 -23.680 -28.643 1.00 12.06 ? 165 PHE B CB  1 
ATOM   1365 C CG  . PHE A 1 159 ? -21.350 -23.164 -27.284 1.00 11.03 ? 165 PHE B CG  1 
ATOM   1366 C CD1 . PHE A 1 159 ? -22.301 -22.690 -26.366 1.00 10.93 ? 165 PHE B CD1 1 
ATOM   1367 C CD2 . PHE A 1 159 ? -20.022 -23.199 -26.895 1.00 13.03 ? 165 PHE B CD2 1 
ATOM   1368 C CE1 . PHE A 1 159 ? -21.884 -22.212 -25.122 1.00 11.26 ? 165 PHE B CE1 1 
ATOM   1369 C CE2 . PHE A 1 159 ? -19.615 -22.735 -25.649 1.00 12.59 ? 165 PHE B CE2 1 
ATOM   1370 C CZ  . PHE A 1 159 ? -20.548 -22.211 -24.780 1.00 11.73 ? 165 PHE B CZ  1 
ATOM   1371 N N   . ALA A 1 160 ? -22.847 -25.888 -30.725 1.00 12.77 ? 166 ALA B N   1 
ATOM   1372 C CA  . ALA A 1 160 ? -23.308 -26.462 -32.010 1.00 13.01 ? 166 ALA B CA  1 
ATOM   1373 C C   . ALA A 1 160 ? -23.421 -25.392 -33.085 1.00 12.92 ? 166 ALA B C   1 
ATOM   1374 O O   . ALA A 1 160 ? -24.239 -25.600 -34.039 1.00 14.30 ? 166 ALA B O   1 
ATOM   1375 C CB  . ALA A 1 160 ? -24.555 -27.252 -31.820 1.00 13.86 ? 166 ALA B CB  1 
ATOM   1376 N N   . GLY A 1 161 ? -22.645 -24.333 -33.009 1.00 13.05 ? 167 GLY B N   1 
ATOM   1377 C CA  . GLY A 1 161 ? -22.643 -23.259 -34.011 1.00 13.44 ? 167 GLY B CA  1 
ATOM   1378 C C   . GLY A 1 161 ? -21.975 -22.016 -33.491 1.00 12.74 ? 167 GLY B C   1 
ATOM   1379 O O   . GLY A 1 161 ? -21.561 -21.979 -32.300 1.00 12.98 ? 167 GLY B O   1 
ATOM   1380 N N   . PRO A 1 162 ? -21.853 -20.987 -34.310 1.00 11.58 ? 168 PRO B N   1 
ATOM   1381 C CA  . PRO A 1 162 ? -21.385 -19.682 -33.861 1.00 10.95 ? 168 PRO B CA  1 
ATOM   1382 C C   . PRO A 1 162 ? -22.338 -19.127 -32.782 1.00 11.71 ? 168 PRO B C   1 
ATOM   1383 O O   . PRO A 1 162 ? -23.560 -19.367 -32.863 1.00 12.35 ? 168 PRO B O   1 
ATOM   1384 C CB  . PRO A 1 162 ? -21.386 -18.782 -35.109 1.00 11.78 ? 168 PRO B CB  1 
ATOM   1385 C CG  . PRO A 1 162 ? -21.492 -19.798 -36.263 1.00 12.49 ? 168 PRO B CG  1 
ATOM   1386 C CD  . PRO A 1 162 ? -22.238 -20.960 -35.729 1.00 11.71 ? 168 PRO B CD  1 
ATOM   1387 N N   . LEU A 1 163 ? -21.757 -18.386 -31.855 1.00 11.16 ? 169 LEU B N   1 
ATOM   1388 C CA  . LEU A 1 163 ? -22.527 -17.726 -30.764 1.00 11.04 ? 169 LEU B CA  1 
ATOM   1389 C C   . LEU A 1 163 ? -22.632 -16.238 -31.008 1.00 11.32 ? 169 LEU B C   1 
ATOM   1390 O O   . LEU A 1 163 ? -21.713 -15.601 -31.493 1.00 12.49 ? 169 LEU B O   1 
ATOM   1391 C CB  . LEU A 1 163 ? -21.835 -17.975 -29.427 1.00 11.46 ? 169 LEU B CB  1 
ATOM   1392 C CG  . LEU A 1 163 ? -21.902 -19.393 -28.889 1.00 12.50 ? 169 LEU B CG  1 
ATOM   1393 C CD1 . LEU A 1 163 ? -21.063 -19.477 -27.637 1.00 12.33 ? 169 LEU B CD1 1 
ATOM   1394 C CD2 . LEU A 1 163 ? -23.322 -19.874 -28.635 1.00 12.98 ? 169 LEU B CD2 1 
ATOM   1395 N N   . ARG A 1 164 ? -23.767 -15.675 -30.592 1.00 10.79 ? 170 ARG B N   1 
ATOM   1396 C CA  . ARG A 1 164 ? -23.993 -14.215 -30.577 1.00 11.02 ? 170 ARG B CA  1 
ATOM   1397 C C   . ARG A 1 164 ? -24.426 -13.734 -29.194 1.00 9.49  ? 170 ARG B C   1 
ATOM   1398 O O   . ARG A 1 164 ? -25.168 -14.435 -28.518 1.00 10.09 ? 170 ARG B O   1 
ATOM   1399 C CB  . ARG A 1 164 ? -25.044 -13.831 -31.621 1.00 12.23 ? 170 ARG B CB  1 
ATOM   1400 C CG  . ARG A 1 164 ? -24.559 -14.181 -33.035 1.00 14.54 ? 170 ARG B CG  1 
ATOM   1401 C CD  . ARG A 1 164 ? -25.495 -13.783 -34.157 1.00 15.42 ? 170 ARG B CD  1 
ATOM   1402 N NE  . ARG A 1 164 ? -25.551 -12.349 -34.244 1.00 15.37 ? 170 ARG B NE  1 
ATOM   1403 C CZ  . ARG A 1 164 ? -26.261 -11.734 -35.169 1.00 15.83 ? 170 ARG B CZ  1 
ATOM   1404 N NH1 . ARG A 1 164 ? -26.871 -12.440 -36.091 1.00 16.10 ? 170 ARG B NH1 1 
ATOM   1405 N NH2 . ARG A 1 164 ? -26.316 -10.426 -35.162 1.00 15.71 ? 170 ARG B NH2 1 
ATOM   1406 N N   . PRO A 1 165 ? -23.958 -12.560 -28.753 1.00 9.24  ? 171 PRO B N   1 
ATOM   1407 C CA  . PRO A 1 165 ? -24.514 -11.956 -27.530 1.00 9.50  ? 171 PRO B CA  1 
ATOM   1408 C C   . PRO A 1 165 ? -26.030 -11.761 -27.683 1.00 8.84  ? 171 PRO B C   1 
ATOM   1409 O O   . PRO A 1 165 ? -26.535 -11.439 -28.744 1.00 9.80  ? 171 PRO B O   1 
ATOM   1410 C CB  . PRO A 1 165 ? -23.812 -10.611 -27.398 1.00 9.87  ? 171 PRO B CB  1 
ATOM   1411 C CG  . PRO A 1 165 ? -22.524 -10.786 -28.244 1.00 11.19 ? 171 PRO B CG  1 
ATOM   1412 C CD  . PRO A 1 165 ? -22.986 -11.654 -29.387 1.00 11.54 ? 171 PRO B CD  1 
ATOM   1413 N N   . PHE A 1 166 ? -26.766 -12.073 -26.618 1.00 9.07  ? 172 PHE B N   1 
ATOM   1414 C CA  . PHE A 1 166 ? -28.242 -12.083 -26.587 1.00 9.51  ? 172 PHE B CA  1 
ATOM   1415 C C   . PHE A 1 166 ? -28.774 -11.145 -25.497 1.00 8.56  ? 172 PHE B C   1 
ATOM   1416 O O   . PHE A 1 166 ? -28.274 -11.161 -24.355 1.00 9.11  ? 172 PHE B O   1 
ATOM   1417 C CB  . PHE A 1 166 ? -28.739 -13.506 -26.333 1.00 9.60  ? 172 PHE B CB  1 
ATOM   1418 C CG  . PHE A 1 166 ? -30.235 -13.594 -26.126 1.00 9.73  ? 172 PHE B CG  1 
ATOM   1419 C CD1 . PHE A 1 166 ? -31.089 -13.589 -27.224 1.00 10.43 ? 172 PHE B CD1 1 
ATOM   1420 C CD2 . PHE A 1 166 ? -30.808 -13.653 -24.866 1.00 11.13 ? 172 PHE B CD2 1 
ATOM   1421 C CE1 . PHE A 1 166 ? -32.464 -13.647 -27.054 1.00 11.41 ? 172 PHE B CE1 1 
ATOM   1422 C CE2 . PHE A 1 166 ? -32.184 -13.661 -24.717 1.00 11.06 ? 172 PHE B CE2 1 
ATOM   1423 C CZ  . PHE A 1 166 ? -33.005 -13.670 -25.806 1.00 11.39 ? 172 PHE B CZ  1 
ATOM   1424 N N   . PHE A 1 167 ? -29.836 -10.409 -25.827 1.00 8.59  ? 173 PHE B N   1 
ATOM   1425 C CA  . PHE A 1 167 ? -30.433 -9.402  -24.931 1.00 8.93  ? 173 PHE B CA  1 
ATOM   1426 C C   . PHE A 1 167 ? -31.949 -9.447  -25.058 1.00 9.85  ? 173 PHE B C   1 
ATOM   1427 O O   . PHE A 1 167 ? -32.492 -9.515  -26.170 1.00 9.86  ? 173 PHE B O   1 
ATOM   1428 C CB  . PHE A 1 167 ? -29.993 -7.981  -25.315 1.00 9.40  ? 173 PHE B CB  1 
ATOM   1429 C CG  . PHE A 1 167 ? -28.487 -7.829  -25.413 1.00 9.39  ? 173 PHE B CG  1 
ATOM   1430 C CD1 . PHE A 1 167 ? -27.821 -8.120  -26.596 1.00 9.45  ? 173 PHE B CD1 1 
ATOM   1431 C CD2 . PHE A 1 167 ? -27.728 -7.372  -24.341 1.00 11.06 ? 173 PHE B CD2 1 
ATOM   1432 C CE1 . PHE A 1 167 ? -26.437 -8.053  -26.688 1.00 10.13 ? 173 PHE B CE1 1 
ATOM   1433 C CE2 . PHE A 1 167 ? -26.351 -7.254  -24.453 1.00 11.43 ? 173 PHE B CE2 1 
ATOM   1434 C CZ  . PHE A 1 167 ? -25.709 -7.566  -25.632 1.00 10.83 ? 173 PHE B CZ  1 
ATOM   1435 N N   . ASN A 1 168 ? -32.645 -9.289  -23.937 1.00 9.91  ? 174 ASN B N   1 
ATOM   1436 C CA  . ASN A 1 168 ? -34.104 -9.016  -23.887 1.00 9.35  ? 174 ASN B CA  1 
ATOM   1437 C C   . ASN A 1 168 ? -34.322 -7.883  -22.893 1.00 9.51  ? 174 ASN B C   1 
ATOM   1438 O O   . ASN A 1 168 ? -34.001 -8.053  -21.703 1.00 9.96  ? 174 ASN B O   1 
ATOM   1439 C CB  . ASN A 1 168 ? -34.879 -10.269 -23.474 1.00 9.59  ? 174 ASN B CB  1 
ATOM   1440 C CG  . ASN A 1 168 ? -36.378 -10.069 -23.554 1.00 11.03 ? 174 ASN B CG  1 
ATOM   1441 O OD1 . ASN A 1 168 ? -36.899 -9.005  -23.846 1.00 11.99 ? 174 ASN B OD1 1 
ATOM   1442 N ND2 . ASN A 1 168 ? -37.099 -11.148 -23.345 1.00 12.11 ? 174 ASN B ND2 1 
ATOM   1443 N N   . VAL A 1 169 ? -34.844 -6.747  -23.362 1.00 9.90  ? 175 VAL B N   1 
ATOM   1444 C CA  . VAL A 1 169 ? -35.090 -5.593  -22.461 1.00 10.64 ? 175 VAL B CA  1 
ATOM   1445 C C   . VAL A 1 169 ? -36.338 -5.832  -21.609 1.00 9.99  ? 175 VAL B C   1 
ATOM   1446 O O   . VAL A 1 169 ? -36.603 -5.009  -20.694 1.00 11.19 ? 175 VAL B O   1 
ATOM   1447 C CB  . VAL A 1 169 ? -35.182 -4.247  -23.212 1.00 10.70 ? 175 VAL B CB  1 
ATOM   1448 C CG1 . VAL A 1 169 ? -33.900 -3.882  -23.918 1.00 11.70 ? 175 VAL B CG1 1 
ATOM   1449 C CG2 . VAL A 1 169 ? -36.346 -4.205  -24.186 1.00 11.39 ? 175 VAL B CG2 1 
ATOM   1450 N N   . GLY A 1 170 ? -37.161 -6.819  -21.964 1.00 10.58 ? 176 GLY B N   1 
ATOM   1451 C CA  . GLY A 1 170 ? -38.458 -7.059  -21.290 1.00 10.99 ? 176 GLY B CA  1 
ATOM   1452 C C   . GLY A 1 170 ? -39.554 -6.103  -21.715 1.00 10.75 ? 176 GLY B C   1 
ATOM   1453 O O   . GLY A 1 170 ? -39.304 -5.065  -22.293 1.00 10.75 ? 176 GLY B O   1 
ATOM   1454 N N   . PHE A 1 171 ? -40.778 -6.568  -21.485 1.00 11.57 ? 177 PHE B N   1 
ATOM   1455 C CA  . PHE A 1 171 ? -41.984 -5.729  -21.660 1.00 10.84 ? 177 PHE B CA  1 
ATOM   1456 C C   . PHE A 1 171 ? -42.027 -4.637  -20.597 1.00 10.83 ? 177 PHE B C   1 
ATOM   1457 O O   . PHE A 1 171 ? -41.317 -4.694  -19.594 1.00 11.12 ? 177 PHE B O   1 
ATOM   1458 C CB  . PHE A 1 171 ? -43.246 -6.601  -21.711 1.00 12.41 ? 177 PHE B CB  1 
ATOM   1459 C CG  . PHE A 1 171 ? -43.363 -7.487  -22.929 1.00 13.06 ? 177 PHE B CG  1 
ATOM   1460 C CD1 . PHE A 1 171 ? -43.727 -6.994  -24.165 1.00 15.38 ? 177 PHE B CD1 1 
ATOM   1461 C CD2 . PHE A 1 171 ? -43.104 -8.832  -22.810 1.00 15.28 ? 177 PHE B CD2 1 
ATOM   1462 C CE1 . PHE A 1 171 ? -43.794 -7.852  -25.268 1.00 15.98 ? 177 PHE B CE1 1 
ATOM   1463 C CE2 . PHE A 1 171 ? -43.202 -9.680  -23.907 1.00 15.95 ? 177 PHE B CE2 1 
ATOM   1464 C CZ  . PHE A 1 171 ? -43.571 -9.188  -25.104 1.00 16.10 ? 177 PHE B CZ  1 
ATOM   1465 N N   . ASN A 1 172 ? -42.895 -3.667  -20.842 1.00 11.10 ? 178 ASN B N   1 
ATOM   1466 C CA  . ASN A 1 172 ? -43.086 -2.583  -19.867 1.00 10.09 ? 178 ASN B CA  1 
ATOM   1467 C C   . ASN A 1 172 ? -44.597 -2.430  -19.650 1.00 10.59 ? 178 ASN B C   1 
ATOM   1468 O O   . ASN A 1 172 ? -45.111 -1.289  -19.683 1.00 12.74 ? 178 ASN B O   1 
ATOM   1469 C CB  . ASN A 1 172 ? -42.449 -1.291  -20.325 1.00 10.97 ? 178 ASN B CB  1 
ATOM   1470 C CG  . ASN A 1 172 ? -42.471 -0.221  -19.272 1.00 11.78 ? 178 ASN B CG  1 
ATOM   1471 O OD1 . ASN A 1 172 ? -42.511 -0.477  -18.081 1.00 11.94 ? 178 ASN B OD1 1 
ATOM   1472 N ND2 . ASN A 1 172 ? -42.381 1.011   -19.736 1.00 13.64 ? 178 ASN B ND2 1 
ATOM   1473 N N   . TYR A 1 173 ? -45.271 -3.487  -19.280 1.00 10.94 ? 179 TYR B N   1 
ATOM   1474 C CA  . TYR A 1 173 ? -46.710 -3.399  -18.895 1.00 10.75 ? 179 TYR B CA  1 
ATOM   1475 C C   . TYR A 1 173 ? -46.853 -2.597  -17.610 1.00 11.05 ? 179 TYR B C   1 
ATOM   1476 O O   . TYR A 1 173 ? -47.939 -1.955  -17.409 1.00 13.13 ? 179 TYR B O   1 
ATOM   1477 C CB  . TYR A 1 173 ? -47.301 -4.799  -18.677 1.00 11.64 ? 179 TYR B CB  1 
ATOM   1478 C CG  . TYR A 1 173 ? -47.389 -5.658  -19.915 1.00 13.89 ? 179 TYR B CG  1 
ATOM   1479 C CD1 . TYR A 1 173 ? -48.370 -5.427  -20.872 1.00 17.33 ? 179 TYR B CD1 1 
ATOM   1480 C CD2 . TYR A 1 173 ? -46.529 -6.731  -20.096 1.00 15.45 ? 179 TYR B CD2 1 
ATOM   1481 C CE1 . TYR A 1 173 ? -48.445 -6.196  -22.028 1.00 18.78 ? 179 TYR B CE1 1 
ATOM   1482 C CE2 . TYR A 1 173 ? -46.590 -7.506  -21.263 1.00 15.73 ? 179 TYR B CE2 1 
ATOM   1483 C CZ  . TYR A 1 173 ? -47.536 -7.214  -22.214 1.00 18.78 ? 179 TYR B CZ  1 
ATOM   1484 O OH  . TYR A 1 173 ? -47.641 -7.986  -23.355 1.00 24.40 ? 179 TYR B OH  1 
ATOM   1485 N N   . SER A 1 174 ? -45.917 -2.635  -16.672 1.00 10.78 ? 180 SER B N   1 
ATOM   1486 C CA  . SER A 1 174 ? -46.016 -2.024  -15.331 1.00 12.52 ? 180 SER B CA  1 
ATOM   1487 C C   . SER A 1 174 ? -45.727 -0.519  -15.370 1.00 12.35 ? 180 SER B C   1 
ATOM   1488 O O   . SER A 1 174 ? -46.067 0.183   -14.389 1.00 14.00 ? 180 SER B O   1 
ATOM   1489 C CB  . SER A 1 174 ? -45.057 -2.637  -14.367 1.00 12.95 ? 180 SER B CB  1 
ATOM   1490 O OG  . SER A 1 174 ? -43.713 -2.382  -14.828 1.00 12.80 ? 180 SER B OG  1 
ATOM   1491 N N   . GLY A 1 175 ? -45.085 0.000   -16.410 1.00 10.99 ? 181 GLY B N   1 
ATOM   1492 C CA  . GLY A 1 175 ? -44.538 1.356   -16.383 1.00 11.81 ? 181 GLY B CA  1 
ATOM   1493 C C   . GLY A 1 175 ? -43.308 1.497   -15.524 1.00 12.78 ? 181 GLY B C   1 
ATOM   1494 O O   . GLY A 1 175 ? -42.813 2.635   -15.385 1.00 14.79 ? 181 GLY B O   1 
ATOM   1495 N N   . GLY A 1 176 ? -42.765 0.424   -14.944 1.00 12.21 ? 182 GLY B N   1 
ATOM   1496 C CA  . GLY A 1 176 ? -41.541 0.437   -14.135 1.00 11.83 ? 182 GLY B CA  1 
ATOM   1497 C C   . GLY A 1 176 ? -40.345 -0.197  -14.836 1.00 12.28 ? 182 GLY B C   1 
ATOM   1498 O O   . GLY A 1 176 ? -39.318 -0.286  -14.159 1.00 14.14 ? 182 GLY B O   1 
ATOM   1499 N N   . ASN A 1 177 ? -40.454 -0.612  -16.084 1.00 10.30 ? 183 ASN B N   1 
ATOM   1500 C CA  . ASN A 1 177 ? -39.357 -1.324  -16.779 1.00 9.96  ? 183 ASN B CA  1 
ATOM   1501 C C   . ASN A 1 177 ? -38.931 -0.606  -18.063 1.00 10.54 ? 183 ASN B C   1 
ATOM   1502 O O   . ASN A 1 177 ? -38.365 -1.281  -18.933 1.00 11.88 ? 183 ASN B O   1 
ATOM   1503 C CB  . ASN A 1 177 ? -39.756 -2.768  -17.075 1.00 10.27 ? 183 ASN B CB  1 
ATOM   1504 C CG  . ASN A 1 177 ? -38.543 -3.640  -17.376 1.00 10.27 ? 183 ASN B CG  1 
ATOM   1505 O OD1 . ASN A 1 177 ? -37.503 -3.455  -16.749 1.00 10.91 ? 183 ASN B OD1 1 
ATOM   1506 N ND2 . ASN A 1 177 ? -38.717 -4.556  -18.320 1.00 9.88  ? 183 ASN B ND2 1 
ATOM   1507 N N   . ALA A 1 178 ? -38.991 0.727   -18.133 1.00 11.50 ? 184 ALA B N   1 
ATOM   1508 C CA  . ALA A 1 178 ? -38.615 1.483   -19.346 1.00 12.62 ? 184 ALA B CA  1 
ATOM   1509 C C   . ALA A 1 178 ? -37.101 1.594   -19.482 1.00 12.20 ? 184 ALA B C   1 
ATOM   1510 O O   . ALA A 1 178 ? -36.652 1.870   -20.589 1.00 13.68 ? 184 ALA B O   1 
ATOM   1511 C CB  . ALA A 1 178 ? -39.235 2.885   -19.329 1.00 13.26 ? 184 ALA B CB  1 
ATOM   1512 N N   . ALA A 1 179 ? -36.343 1.425   -18.406 1.00 11.81 ? 185 ALA B N   1 
ATOM   1513 C CA  . ALA A 1 179 ? -34.883 1.722   -18.461 1.00 12.24 ? 185 ALA B CA  1 
ATOM   1514 C C   . ALA A 1 179 ? -34.176 0.845   -19.500 1.00 11.73 ? 185 ALA B C   1 
ATOM   1515 O O   . ALA A 1 179 ? -34.580 -0.297  -19.787 1.00 11.31 ? 185 ALA B O   1 
ATOM   1516 C CB  . ALA A 1 179 ? -34.243 1.570   -17.099 1.00 12.45 ? 185 ALA B CB  1 
ATOM   1517 N N   . PRO A 1 180 ? -33.107 1.357   -20.115 1.00 11.54 ? 186 PRO B N   1 
ATOM   1518 C CA  . PRO A 1 180 ? -32.363 0.576   -21.105 1.00 11.51 ? 186 PRO B CA  1 
ATOM   1519 C C   . PRO A 1 180 ? -31.448 -0.536  -20.536 1.00 10.63 ? 186 PRO B C   1 
ATOM   1520 O O   . PRO A 1 180 ? -31.098 -0.508  -19.376 1.00 11.93 ? 186 PRO B O   1 
ATOM   1521 C CB  . PRO A 1 180 ? -31.491 1.663   -21.766 1.00 12.69 ? 186 PRO B CB  1 
ATOM   1522 C CG  . PRO A 1 180 ? -31.197 2.618   -20.648 1.00 14.92 ? 186 PRO B CG  1 
ATOM   1523 C CD  . PRO A 1 180 ? -32.537 2.706   -19.920 1.00 13.87 ? 186 PRO B CD  1 
ATOM   1524 N N   . LEU A 1 181 ? -31.063 -1.459  -21.411 1.00 10.94 ? 187 LEU B N   1 
ATOM   1525 C CA  . LEU A 1 181 ? -29.815 -2.243  -21.247 1.00 11.21 ? 187 LEU B CA  1 
ATOM   1526 C C   . LEU A 1 181 ? -28.685 -1.454  -21.887 1.00 11.32 ? 187 LEU B C   1 
ATOM   1527 O O   . LEU A 1 181 ? -28.857 -0.955  -23.015 1.00 13.31 ? 187 LEU B O   1 
ATOM   1528 C CB  . LEU A 1 181 ? -29.970 -3.603  -21.894 1.00 11.11 ? 187 LEU B CB  1 
ATOM   1529 C CG  . LEU A 1 181 ? -30.986 -4.554  -21.254 1.00 11.89 ? 187 LEU B CG  1 
ATOM   1530 C CD1 . LEU A 1 181 ? -31.164 -5.833  -22.063 1.00 12.45 ? 187 LEU B CD1 1 
ATOM   1531 C CD2 . LEU A 1 181 ? -30.627 -4.926  -19.839 1.00 13.69 ? 187 LEU B CD2 1 
ATOM   1532 N N   . LYS A 1 182 ? -27.540 -1.394  -21.224 1.00 11.50 ? 188 LYS B N   1 
ATOM   1533 C CA  . LYS A 1 182 ? -26.396 -0.626  -21.767 1.00 12.67 ? 188 LYS B CA  1 
ATOM   1534 C C   . LYS A 1 182 ? -25.152 -1.494  -21.719 1.00 12.69 ? 188 LYS B C   1 
ATOM   1535 O O   . LYS A 1 182 ? -24.822 -2.041  -20.638 1.00 13.01 ? 188 LYS B O   1 
ATOM   1536 C CB  . LYS A 1 182 ? -26.119 0.661   -20.987 1.00 14.41 ? 188 LYS B CB  1 
ATOM   1537 C CG  . LYS A 1 182 ? -27.283 1.608   -20.759 1.00 17.12 ? 188 LYS B CG  1 
ATOM   1538 C CD  . LYS A 1 182 ? -26.842 2.902   -20.063 1.00 20.52 ? 188 LYS B CD  1 
ATOM   1539 C CE  . LYS A 1 182 ? -27.970 3.830   -19.691 1.00 25.79 ? 188 LYS B CE  1 
ATOM   1540 N NZ  . LYS A 1 182 ? -27.426 4.982   -18.928 1.00 30.59 ? 188 LYS B NZ  1 
ATOM   1541 N N   . LEU A 1 183 ? -24.391 -1.543  -22.784 1.00 12.30 ? 189 LEU B N   1 
ATOM   1542 C CA  . LEU A 1 183 ? -23.068 -2.212  -22.776 1.00 12.76 ? 189 LEU B CA  1 
ATOM   1543 C C   . LEU A 1 183 ? -22.087 -1.264  -22.102 1.00 13.96 ? 189 LEU B C   1 
ATOM   1544 O O   . LEU A 1 183 ? -21.888 -0.123  -22.622 1.00 17.37 ? 189 LEU B O   1 
ATOM   1545 C CB  . LEU A 1 183 ? -22.684 -2.573  -24.209 1.00 13.64 ? 189 LEU B CB  1 
ATOM   1546 C CG  . LEU A 1 183 ? -23.429 -3.820  -24.706 1.00 14.72 ? 189 LEU B CG  1 
ATOM   1547 C CD1 . LEU A 1 183 ? -23.643 -3.879  -26.204 1.00 18.89 ? 189 LEU B CD1 1 
ATOM   1548 C CD2 . LEU A 1 183 ? -22.799 -5.101  -24.152 1.00 12.65 ? 189 LEU B CD2 1 
ATOM   1549 N N   . CYS A 1 184 ? -21.434 -1.741  -21.043 1.00 14.56 ? 190 CYS B N   1 
ATOM   1550 C CA  . CYS A 1 184 ? -20.534 -0.893  -20.218 1.00 17.42 ? 190 CYS B CA  1 
ATOM   1551 C C   . CYS A 1 184 ? -19.182 -0.783  -20.887 1.00 18.98 ? 190 CYS B C   1 
ATOM   1552 O O   . CYS A 1 184 ? -18.690 -1.711  -21.501 1.00 19.24 ? 190 CYS B O   1 
ATOM   1553 C CB  . CYS A 1 184 ? -20.223 -1.564  -18.901 1.00 19.00 ? 190 CYS B CB  1 
ATOM   1554 S SG  . CYS A 1 184 ? -21.670 -2.082  -17.979 1.00 20.44 ? 190 CYS B SG  1 
ATOM   1555 N N   . PRO A 1 185 ? -18.491 0.363   -20.708 1.00 23.72 ? 191 PRO B N   1 
ATOM   1556 C CA  . PRO A 1 185 ? -17.162 0.541   -21.261 1.00 27.73 ? 191 PRO B CA  1 
ATOM   1557 C C   . PRO A 1 185 ? -16.171 -0.406  -20.577 1.00 26.48 ? 191 PRO B C   1 
ATOM   1558 O O   . PRO A 1 185 ? -16.321 -0.698  -19.399 1.00 28.52 ? 191 PRO B O   1 
ATOM   1559 C CB  . PRO A 1 185 ? -16.880 2.033   -20.993 1.00 27.31 ? 191 PRO B CB  1 
ATOM   1560 C CG  . PRO A 1 185 ? -17.729 2.385   -19.810 1.00 28.18 ? 191 PRO B CG  1 
ATOM   1561 C CD  . PRO A 1 185 ? -18.973 1.542   -19.973 1.00 26.32 ? 191 PRO B CD  1 
ATOM   1562 N N   . LEU A 1 186 ? -15.187 -0.832  -21.363 1.00 31.54 ? 192 LEU B N   1 
ATOM   1563 C CA  . LEU A 1 186 ? -13.962 -1.572  -20.972 1.00 35.74 ? 192 LEU B CA  1 
ATOM   1564 C C   . LEU A 1 186 ? -13.113 -0.712  -20.031 1.00 40.37 ? 192 LEU B C   1 
ATOM   1565 O O   . LEU A 1 186 ? -12.343 -1.283  -19.243 1.00 45.11 ? 192 LEU B O   1 
ATOM   1566 C CB  . LEU A 1 186 ? -13.171 -1.891  -22.247 1.00 37.11 ? 192 LEU B CB  1 
HETATM 1567 C C1  . EDO B 2 .   ? -45.660 -3.384  -22.980 1.00 27.74 ? 201 EDO B C1  1 
HETATM 1568 O O1  . EDO B 2 .   ? -44.273 -3.208  -23.193 1.00 20.89 ? 201 EDO B O1  1 
HETATM 1569 C C2  . EDO B 2 .   ? -46.402 -4.176  -23.996 1.00 34.61 ? 201 EDO B C2  1 
HETATM 1570 O O2  . EDO B 2 .   ? -46.349 -3.608  -25.290 1.00 39.54 ? 201 EDO B O2  1 
HETATM 1571 N N1  . K6U C 3 .   ? -25.705 -27.147 -23.238 0.65 31.61 ? 202 K6U B N1  1 
HETATM 1572 C C4  . K6U C 3 .   ? -29.622 -29.874 -25.161 0.65 29.04 ? 202 K6U B C4  1 
HETATM 1573 C C5  . K6U C 3 .   ? -28.575 -29.237 -25.784 0.65 28.66 ? 202 K6U B C5  1 
HETATM 1574 C C6  . K6U C 3 .   ? -27.571 -28.660 -25.039 0.65 25.97 ? 202 K6U B C6  1 
HETATM 1575 C C7  . K6U C 3 .   ? -27.597 -28.724 -23.646 0.65 30.84 ? 202 K6U B C7  1 
HETATM 1576 C C8  . K6U C 3 .   ? -26.527 -28.075 -22.895 0.65 31.83 ? 202 K6U B C8  1 
HETATM 1577 C C1  . K6U C 3 .   ? -29.624 -30.152 -20.936 0.65 33.07 ? 202 K6U B C1  1 
HETATM 1578 C C2  . K6U C 3 .   ? -28.683 -29.359 -23.017 0.65 31.32 ? 202 K6U B C2  1 
HETATM 1579 C C3  . K6U C 3 .   ? -29.688 -29.934 -23.789 0.65 30.42 ? 202 K6U B C3  1 
HETATM 1580 C C9  . K6U C 3 .   ? -25.300 -27.651 -21.158 0.65 32.69 ? 202 K6U B C9  1 
HETATM 1581 N N2  . K6U C 3 .   ? -24.930 -26.872 -22.084 0.65 35.95 ? 202 K6U B N2  1 
HETATM 1582 O O1  . K6U C 3 .   ? -28.662 -29.373 -21.645 0.65 32.48 ? 202 K6U B O1  1 
HETATM 1583 O O2  . K6U C 3 .   ? -26.317 -28.429 -21.591 0.65 29.88 ? 202 K6U B O2  1 
HETATM 1584 C C1  . EDO D 2 .   ? -29.012 -27.449 -19.369 0.65 24.87 ? 203 EDO B C1  1 
HETATM 1585 O O1  . EDO D 2 .   ? -28.051 -26.574 -18.810 0.65 30.26 ? 203 EDO B O1  1 
HETATM 1586 C C2  . EDO D 2 .   ? -30.348 -27.313 -18.761 0.65 22.79 ? 203 EDO B C2  1 
HETATM 1587 O O2  . EDO D 2 .   ? -31.422 -27.393 -19.604 0.65 21.28 ? 203 EDO B O2  1 
HETATM 1588 C C1  . EDO E 2 .   ? -50.592 -16.896 -33.261 1.00 38.09 ? 204 EDO B C1  1 
HETATM 1589 O O1  . EDO E 2 .   ? -49.251 -16.460 -33.117 1.00 32.59 ? 204 EDO B O1  1 
HETATM 1590 C C2  . EDO E 2 .   ? -51.241 -17.146 -31.962 1.00 37.75 ? 204 EDO B C2  1 
HETATM 1591 O O2  . EDO E 2 .   ? -51.281 -15.989 -31.162 1.00 46.19 ? 204 EDO B O2  1 
HETATM 1592 S S   . SO4 F 4 .   ? -40.459 -24.625 -26.304 1.00 37.15 ? 205 SO4 B S   1 
HETATM 1593 O O1  . SO4 F 4 .   ? -39.774 -23.649 -27.099 1.00 23.70 ? 205 SO4 B O1  1 
HETATM 1594 O O2  . SO4 F 4 .   ? -41.304 -25.442 -27.131 1.00 41.51 ? 205 SO4 B O2  1 
HETATM 1595 O O3  . SO4 F 4 .   ? -39.471 -25.466 -25.655 1.00 40.78 ? 205 SO4 B O3  1 
HETATM 1596 O O4  . SO4 F 4 .   ? -41.258 -23.972 -25.288 1.00 37.34 ? 205 SO4 B O4  1 
HETATM 1597 O O   . HOH G 5 .   ? -37.161 -19.113 -8.562  1.00 27.53 ? 301 HOH B O   1 
HETATM 1598 O O   . HOH G 5 .   ? -29.189 -27.232 -28.575 0.65 16.54 ? 302 HOH B O   1 
HETATM 1599 O O   . HOH G 5 .   ? -28.341 -27.777 -16.864 1.00 24.50 ? 303 HOH B O   1 
HETATM 1600 O O   . HOH G 5 .   ? -38.694 -15.340 -11.638 1.00 30.53 ? 304 HOH B O   1 
HETATM 1601 O O   . HOH G 5 .   ? -26.914 -28.477 -28.038 1.00 25.52 ? 305 HOH B O   1 
HETATM 1602 O O   . HOH G 5 .   ? -33.846 4.845   -16.797 1.00 34.36 ? 306 HOH B O   1 
HETATM 1603 O O   . HOH G 5 .   ? -22.749 -1.841  -9.722  1.00 26.36 ? 307 HOH B O   1 
HETATM 1604 O O   . HOH G 5 .   ? -45.633 3.691   -34.169 1.00 17.65 ? 308 HOH B O   1 
HETATM 1605 O O   . HOH G 5 .   ? -32.944 1.070   -33.555 1.00 19.22 ? 309 HOH B O   1 
HETATM 1606 O O   . HOH G 5 .   ? -18.720 -21.972 -35.844 1.00 15.70 ? 310 HOH B O   1 
HETATM 1607 O O   . HOH G 5 .   ? -47.189 -16.962 -31.702 1.00 22.59 ? 311 HOH B O   1 
HETATM 1608 O O   . HOH G 5 .   ? -13.456 -23.543 -31.683 1.00 14.55 ? 312 HOH B O   1 
HETATM 1609 O O   . HOH G 5 .   ? -29.576 -12.440 -37.798 1.00 21.66 ? 313 HOH B O   1 
HETATM 1610 O O   . HOH G 5 .   ? -38.427 0.482   -11.879 1.00 34.92 ? 314 HOH B O   1 
HETATM 1611 O O   . HOH G 5 .   ? -45.268 7.444   -24.658 1.00 37.80 ? 315 HOH B O   1 
HETATM 1612 O O   . HOH G 5 .   ? -15.621 -5.396  -13.710 1.00 30.21 ? 316 HOH B O   1 
HETATM 1613 O O   . HOH G 5 .   ? -40.128 -1.164  -9.735  1.00 28.50 ? 317 HOH B O   1 
HETATM 1614 O O   . HOH G 5 .   ? -36.278 5.494   -15.843 1.00 24.10 ? 318 HOH B O   1 
HETATM 1615 O O   . HOH G 5 .   ? -38.068 2.785   -22.723 1.00 18.57 ? 319 HOH B O   1 
HETATM 1616 O O   . HOH G 5 .   ? -47.176 1.383   -25.620 1.00 32.04 ? 320 HOH B O   1 
HETATM 1617 O O   . HOH G 5 .   ? -36.882 -16.254 -39.437 1.00 26.96 ? 321 HOH B O   1 
HETATM 1618 O O   . HOH G 5 .   ? -26.209 3.396   -35.296 1.00 32.00 ? 322 HOH B O   1 
HETATM 1619 O O   . HOH G 5 .   ? -35.940 -22.525 -19.630 1.00 23.11 ? 323 HOH B O   1 
HETATM 1620 O O   . HOH G 5 .   ? -36.675 -23.048 -30.777 1.00 31.80 ? 324 HOH B O   1 
HETATM 1621 O O   . HOH G 5 .   ? -12.715 -21.302 -18.720 1.00 28.74 ? 325 HOH B O   1 
HETATM 1622 O O   . HOH G 5 .   ? -45.543 0.108   -11.793 1.00 18.65 ? 326 HOH B O   1 
HETATM 1623 O O   . HOH G 5 .   ? -35.752 -19.217 -30.568 1.00 27.40 ? 327 HOH B O   1 
HETATM 1624 O O   . HOH G 5 .   ? -19.558 -29.782 -15.576 1.00 27.82 ? 328 HOH B O   1 
HETATM 1625 O O   . HOH G 5 .   ? -37.494 -25.420 -11.595 1.00 37.38 ? 329 HOH B O   1 
HETATM 1626 O O   . HOH G 5 .   ? -30.790 -17.426 -42.859 1.00 37.52 ? 330 HOH B O   1 
HETATM 1627 O O   . HOH G 5 .   ? -9.024  -13.402 -25.267 1.00 35.22 ? 331 HOH B O   1 
HETATM 1628 O O   . HOH G 5 .   ? -30.818 -6.720  -11.313 1.00 14.69 ? 332 HOH B O   1 
HETATM 1629 O O   . HOH G 5 .   ? -25.915 -22.646 -35.901 1.00 25.61 ? 333 HOH B O   1 
HETATM 1630 O O   . HOH G 5 .   ? -16.206 -19.575 -15.730 1.00 23.56 ? 334 HOH B O   1 
HETATM 1631 O O   . HOH G 5 .   ? -43.048 -15.389 -10.172 1.00 21.08 ? 335 HOH B O   1 
HETATM 1632 O O   . HOH G 5 .   ? -45.143 -12.312 -26.526 1.00 31.35 ? 336 HOH B O   1 
HETATM 1633 O O   . HOH G 5 .   ? -36.738 -26.098 -23.824 1.00 30.99 ? 337 HOH B O   1 
HETATM 1634 O O   . HOH G 5 .   ? -24.597 -31.018 -22.050 1.00 35.49 ? 338 HOH B O   1 
HETATM 1635 O O   . HOH G 5 .   ? -17.626 -21.374 -12.472 1.00 17.04 ? 339 HOH B O   1 
HETATM 1636 O O   . HOH G 5 .   ? -49.714 -1.661  -19.435 1.00 24.62 ? 340 HOH B O   1 
HETATM 1637 O O   . HOH G 5 .   ? -16.761 -5.603  -9.355  1.00 30.70 ? 341 HOH B O   1 
HETATM 1638 O O   . HOH G 5 .   ? -38.570 -7.683  -10.756 1.00 15.09 ? 342 HOH B O   1 
HETATM 1639 O O   . HOH G 5 .   ? -38.817 -2.470  -21.343 1.00 14.66 ? 343 HOH B O   1 
HETATM 1640 O O   . HOH G 5 .   ? -26.572 -25.736 -16.418 1.00 16.52 ? 344 HOH B O   1 
HETATM 1641 O O   . HOH G 5 .   ? -18.520 -4.599  -24.703 1.00 17.16 ? 345 HOH B O   1 
HETATM 1642 O O   . HOH G 5 .   ? -32.827 -18.123 -37.280 1.00 31.01 ? 346 HOH B O   1 
HETATM 1643 O O   . HOH G 5 .   ? -9.383  -18.650 -30.165 1.00 40.24 ? 347 HOH B O   1 
HETATM 1644 O O   . HOH G 5 .   ? -30.868 -20.324 -21.369 1.00 11.50 ? 348 HOH B O   1 
HETATM 1645 O O   . HOH G 5 .   ? -23.922 1.164   -10.726 1.00 31.04 ? 349 HOH B O   1 
HETATM 1646 O O   . HOH G 5 .   ? -23.345 4.361   -24.674 1.00 24.34 ? 350 HOH B O   1 
HETATM 1647 O O   . HOH G 5 .   ? -40.971 -9.342  -36.735 1.00 25.52 ? 351 HOH B O   1 
HETATM 1648 O O   . HOH G 5 .   ? -30.245 -23.855 -34.188 1.00 22.15 ? 352 HOH B O   1 
HETATM 1649 O O   . HOH G 5 .   ? -38.037 -14.408 -21.399 1.00 32.65 ? 353 HOH B O   1 
HETATM 1650 O O   . HOH G 5 .   ? -10.861 -21.176 -25.100 1.00 31.19 ? 354 HOH B O   1 
HETATM 1651 O O   . HOH G 5 .   ? -9.437  -20.745 -28.966 1.00 34.21 ? 355 HOH B O   1 
HETATM 1652 O O   . HOH G 5 .   ? -19.416 -4.314  -22.072 1.00 14.68 ? 356 HOH B O   1 
HETATM 1653 O O   . HOH G 5 .   ? -40.308 -14.360 -31.449 1.00 13.83 ? 357 HOH B O   1 
HETATM 1654 O O   . HOH G 5 .   ? -19.849 1.897   -30.525 1.00 31.46 ? 358 HOH B O   1 
HETATM 1655 O O   . HOH G 5 .   ? -35.480 -17.195 -8.253  1.00 43.91 ? 359 HOH B O   1 
HETATM 1656 O O   . HOH G 5 .   ? -34.106 -21.986 -31.471 1.00 18.06 ? 360 HOH B O   1 
HETATM 1657 O O   . HOH G 5 .   ? -19.331 -26.083 -31.883 1.00 17.00 ? 361 HOH B O   1 
HETATM 1658 O O   . HOH G 5 .   ? -17.591 -27.636 -19.665 1.00 18.18 ? 362 HOH B O   1 
HETATM 1659 O O   . HOH G 5 .   ? -35.832 -3.744  -10.073 1.00 45.14 ? 363 HOH B O   1 
HETATM 1660 O O   . HOH G 5 .   ? -36.284 -1.824  -33.810 1.00 16.93 ? 364 HOH B O   1 
HETATM 1661 O O   . HOH G 5 .   ? -26.539 1.945   -11.015 1.00 25.30 ? 365 HOH B O   1 
HETATM 1662 O O   . HOH G 5 .   ? -30.719 1.138   -17.054 1.00 24.44 ? 366 HOH B O   1 
HETATM 1663 O O   . HOH G 5 .   ? -38.466 3.836   -42.198 1.00 25.26 ? 367 HOH B O   1 
HETATM 1664 O O   . HOH G 5 .   ? -17.875 -19.843 -37.616 1.00 26.47 ? 368 HOH B O   1 
HETATM 1665 O O   . HOH G 5 .   ? -26.749 -17.674 -7.784  1.00 15.71 ? 369 HOH B O   1 
HETATM 1666 O O   . HOH G 5 .   ? -27.179 -20.308 -7.011  1.00 15.83 ? 370 HOH B O   1 
HETATM 1667 O O   . HOH G 5 .   ? -33.885 -21.811 -36.692 1.00 34.54 ? 371 HOH B O   1 
HETATM 1668 O O   . HOH G 5 .   ? -42.541 -5.787  -12.221 1.00 19.78 ? 372 HOH B O   1 
HETATM 1669 O O   . HOH G 5 .   ? -36.540 -0.970  -22.091 1.00 13.84 ? 373 HOH B O   1 
HETATM 1670 O O   . HOH G 5 .   ? -17.986 -4.419  -5.911  1.00 36.42 ? 374 HOH B O   1 
HETATM 1671 O O   . HOH G 5 .   ? -42.271 -3.903  -39.491 1.00 21.26 ? 375 HOH B O   1 
HETATM 1672 O O   . HOH G 5 .   ? -20.923 -16.499 -5.544  1.00 16.17 ? 376 HOH B O   1 
HETATM 1673 O O   . HOH G 5 .   ? -13.455 -20.996 -35.199 1.00 29.82 ? 377 HOH B O   1 
HETATM 1674 O O   . HOH G 5 .   ? -32.301 -5.032  -12.925 1.00 13.02 ? 378 HOH B O   1 
HETATM 1675 O O   . HOH G 5 .   ? -41.717 -9.769  -43.794 1.00 32.36 ? 379 HOH B O   1 
HETATM 1676 O O   . HOH G 5 .   ? -10.362 -23.630 -21.851 1.00 29.52 ? 380 HOH B O   1 
HETATM 1677 O O   . HOH G 5 .   ? -40.827 -14.556 -8.482  1.00 26.84 ? 381 HOH B O   1 
HETATM 1678 O O   . HOH G 5 .   ? -41.715 1.507   -22.455 1.00 29.24 ? 382 HOH B O   1 
HETATM 1679 O O   . HOH G 5 .   ? -37.045 0.794   -15.521 1.00 15.86 ? 383 HOH B O   1 
HETATM 1680 O O   . HOH G 5 .   ? -41.089 -5.972  -38.076 1.00 28.22 ? 384 HOH B O   1 
HETATM 1681 O O   . HOH G 5 .   ? -25.736 -14.243 -3.115  1.00 28.51 ? 385 HOH B O   1 
HETATM 1682 O O   . HOH G 5 .   ? -33.566 -1.784  -38.343 1.00 25.71 ? 386 HOH B O   1 
HETATM 1683 O O   . HOH G 5 .   ? -19.154 -29.207 -23.549 1.00 25.43 ? 387 HOH B O   1 
HETATM 1684 O O   . HOH G 5 .   ? -23.383 2.294   -23.016 1.00 26.95 ? 388 HOH B O   1 
HETATM 1685 O O   . HOH G 5 .   ? -45.730 -19.649 -31.672 1.00 24.60 ? 389 HOH B O   1 
HETATM 1686 O O   . HOH G 5 .   ? -24.029 -12.400 -6.577  1.00 18.24 ? 390 HOH B O   1 
HETATM 1687 O O   . HOH G 5 .   ? -25.353 -10.490 -23.601 1.00 12.48 ? 391 HOH B O   1 
HETATM 1688 O O   . HOH G 5 .   ? -33.147 -17.163 -4.139  1.00 22.33 ? 392 HOH B O   1 
HETATM 1689 O O   . HOH G 5 .   ? -43.831 -0.588  -24.305 1.00 26.67 ? 393 HOH B O   1 
HETATM 1690 O O   . HOH G 5 .   ? -45.826 -14.667 -27.569 1.00 35.52 ? 394 HOH B O   1 
HETATM 1691 O O   . HOH G 5 .   ? -35.513 -4.568  -42.160 1.00 22.59 ? 395 HOH B O   1 
HETATM 1692 O O   . HOH G 5 .   ? -45.951 -4.261  -33.945 1.00 20.40 ? 396 HOH B O   1 
HETATM 1693 O O   . HOH G 5 .   ? -23.771 -20.970 -38.995 1.00 21.40 ? 397 HOH B O   1 
HETATM 1694 O O   . HOH G 5 .   ? -31.520 3.397   -26.853 1.00 21.65 ? 398 HOH B O   1 
HETATM 1695 O O   . HOH G 5 .   ? -15.005 -19.800 -37.600 1.00 24.24 ? 399 HOH B O   1 
HETATM 1696 O O   . HOH G 5 .   ? -12.681 -18.491 -34.794 1.00 34.31 ? 400 HOH B O   1 
HETATM 1697 O O   . HOH G 5 .   ? -20.925 -5.893  -2.186  1.00 44.99 ? 401 HOH B O   1 
HETATM 1698 O O   . HOH G 5 .   ? -18.302 -17.295 -36.357 1.00 25.16 ? 402 HOH B O   1 
HETATM 1699 O O   . HOH G 5 .   ? -33.444 -15.021 -7.010  1.00 20.22 ? 403 HOH B O   1 
HETATM 1700 O O   . HOH G 5 .   ? -39.938 6.279   -26.298 1.00 44.37 ? 404 HOH B O   1 
HETATM 1701 O O   . HOH G 5 .   ? -24.835 -15.041 -6.846  1.00 15.28 ? 405 HOH B O   1 
HETATM 1702 O O   . HOH G 5 .   ? -41.500 -8.543  -13.277 1.00 19.32 ? 406 HOH B O   1 
HETATM 1703 O O   . HOH G 5 .   ? -31.030 4.073   -24.344 1.00 24.91 ? 407 HOH B O   1 
HETATM 1704 O O   . HOH G 5 .   ? -38.715 3.855   -13.658 1.00 35.75 ? 408 HOH B O   1 
HETATM 1705 O O   . HOH G 5 .   ? -9.418  -15.908 -26.585 1.00 26.70 ? 409 HOH B O   1 
HETATM 1706 O O   . HOH G 5 .   ? -14.415 -16.500 -33.090 1.00 27.98 ? 410 HOH B O   1 
HETATM 1707 O O   . HOH G 5 .   ? -39.928 2.681   -16.038 1.00 16.00 ? 411 HOH B O   1 
HETATM 1708 O O   . HOH G 5 .   ? -25.175 6.991   -29.076 1.00 30.95 ? 412 HOH B O   1 
HETATM 1709 O O   . HOH G 5 .   ? -52.492 -14.207 -29.117 1.00 41.79 ? 413 HOH B O   1 
HETATM 1710 O O   . HOH G 5 .   ? -28.811 7.868   -30.104 1.00 33.56 ? 414 HOH B O   1 
HETATM 1711 O O   . HOH G 5 .   ? -18.103 -16.116 -6.151  1.00 20.03 ? 415 HOH B O   1 
HETATM 1712 O O   . HOH G 5 .   ? -42.423 -4.966  -43.717 1.00 21.54 ? 416 HOH B O   1 
HETATM 1713 O O   . HOH G 5 .   ? -17.963 -11.151 -35.631 1.00 24.66 ? 417 HOH B O   1 
HETATM 1714 O O   . HOH G 5 .   ? -13.275 -6.250  -29.238 1.00 31.30 ? 418 HOH B O   1 
HETATM 1715 O O   . HOH G 5 .   ? -34.797 -9.062  -6.125  1.00 44.40 ? 419 HOH B O   1 
HETATM 1716 O O   . HOH G 5 .   ? -40.776 6.382   -33.101 1.00 30.18 ? 420 HOH B O   1 
HETATM 1717 O O   . HOH G 5 .   ? -15.928 -12.191 -5.677  1.00 40.40 ? 421 HOH B O   1 
HETATM 1718 O O   . HOH G 5 .   ? -16.121 -14.768 -8.660  1.00 30.97 ? 422 HOH B O   1 
HETATM 1719 O O   . HOH G 5 .   ? -40.006 -11.663 -22.741 1.00 30.49 ? 423 HOH B O   1 
HETATM 1720 O O   . HOH G 5 .   ? -34.307 -7.278  -7.923  1.00 27.97 ? 424 HOH B O   1 
HETATM 1721 O O   . HOH G 5 .   ? -40.391 -7.425  -34.756 1.00 22.86 ? 425 HOH B O   1 
HETATM 1722 O O   . HOH G 5 .   ? -36.366 -0.135  -41.916 1.00 37.30 ? 426 HOH B O   1 
HETATM 1723 O O   . HOH G 5 .   ? -24.819 -11.094 -4.163  1.00 24.49 ? 427 HOH B O   1 
HETATM 1724 O O   . HOH G 5 .   ? -43.356 3.752   -18.815 1.00 20.74 ? 428 HOH B O   1 
HETATM 1725 O O   . HOH G 5 .   ? -41.254 5.354   -28.484 1.00 27.31 ? 429 HOH B O   1 
HETATM 1726 O O   . HOH G 5 .   ? -41.131 -8.810  -19.397 1.00 14.27 ? 430 HOH B O   1 
HETATM 1727 O O   . HOH G 5 .   ? -24.300 -4.202  -36.845 1.00 35.57 ? 431 HOH B O   1 
HETATM 1728 O O   . HOH G 5 .   ? -30.822 -29.263 -29.704 0.65 16.77 ? 432 HOH B O   1 
HETATM 1729 O O   . HOH G 5 .   ? -19.910 2.334   -23.934 1.00 36.95 ? 433 HOH B O   1 
HETATM 1730 O O   . HOH G 5 .   ? -16.140 -7.389  -11.325 1.00 31.41 ? 434 HOH B O   1 
HETATM 1731 O O   . HOH G 5 .   ? -32.745 -23.584 -33.478 1.00 32.14 ? 435 HOH B O   1 
HETATM 1732 O O   . HOH G 5 .   ? -47.755 0.000   -32.886 0.50 23.34 ? 436 HOH B O   1 
HETATM 1733 O O   . HOH G 5 .   ? -36.657 -6.636  -8.973  1.00 28.39 ? 437 HOH B O   1 
HETATM 1734 O O   . HOH G 5 .   ? -26.304 -31.283 -23.964 1.00 29.60 ? 438 HOH B O   1 
HETATM 1735 O O   . HOH G 5 .   ? -21.753 6.935   -32.320 1.00 28.26 ? 439 HOH B O   1 
HETATM 1736 O O   . HOH G 5 .   ? -8.474  -23.072 -30.293 1.00 28.62 ? 440 HOH B O   1 
HETATM 1737 O O   . HOH G 5 .   ? -41.628 -15.394 -17.705 1.00 47.15 ? 441 HOH B O   1 
HETATM 1738 O O   . HOH G 5 .   ? -40.340 5.070   -22.023 1.00 28.96 ? 442 HOH B O   1 
HETATM 1739 O O   . HOH G 5 .   ? -22.833 3.422   -20.714 1.00 36.90 ? 443 HOH B O   1 
HETATM 1740 O O   . HOH G 5 .   ? -38.805 -16.507 -40.957 1.00 33.29 ? 444 HOH B O   1 
HETATM 1741 O O   . HOH G 5 .   ? -36.644 2.174   -43.161 1.00 36.53 ? 445 HOH B O   1 
HETATM 1742 O O   . HOH G 5 .   ? -15.950 -22.306 -14.612 1.00 27.31 ? 446 HOH B O   1 
HETATM 1743 O O   . HOH G 5 .   ? -21.362 -15.068 -3.164  0.65 21.35 ? 447 HOH B O   1 
HETATM 1744 O O   . HOH G 5 .   ? -16.097 -26.865 -17.262 1.00 33.63 ? 448 HOH B O   1 
HETATM 1745 O O   . HOH G 5 .   ? -18.830 -13.859 -2.539  0.65 27.08 ? 449 HOH B O   1 
HETATM 1746 O O   . HOH G 5 .   ? -42.246 -12.997 -22.425 1.00 29.04 ? 450 HOH B O   1 
# 
