data_7HM8
# 
_entry.id   7HM8 
# 
_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   7HM8         pdb_00007hm8 10.2210/pdb7hm8/pdb 
WWPDB D_1001407650 ?            ?                   
# 
_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                        7HM8 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-04 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.SG_entry                        ? 
_pdbx_database_status.pdb_format_compatible           Y 
_pdbx_database_status.methods_development_category    ? 
# 
_pdbx_contact_author.id                 1 
_pdbx_contact_author.email              knapp@pharmchem.uni-frankfurt.de 
_pdbx_contact_author.name_first         Stefan 
_pdbx_contact_author.name_last          Knapp 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-5995-6494 
_pdbx_contact_author.name_mi            ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Kim, Y.'                              1 
'Marples, P.'                          2 
'Fearon, D.'                           3 
'von Delft, F.'                        4 
'Knapp, S.'                            5 
'Kraemer, A.'                          6 
'Structural Genomics Consortium (SGC)' 7 
# 
_citation.id                        primary 
_citation.title                     'PanDDA analysis group deposition' 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_volume            ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.year                      ? 
_citation.journal_id_ASTM           ? 
_citation.country                   ? 
_citation.journal_id_ISSN           ? 
_citation.journal_id_CSD            0353 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_DOI      ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.identifier_ORCID 
_citation_author.ordinal 
primary 'Kim, Y.'                              ? 1 
primary 'Marples, P.'                          ? 2 
primary 'Fearon, D.'                           ? 3 
primary 'von Delft, F.'                        ? 4 
primary 'Knapp, S.'                            ? 5 
primary 'Kraemer, A.'                          ? 6 
primary 'Structural Genomics Consortium (SGC)' ? 7 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'E3 ubiquitin-protein ligase TRIM21'                  21596.361 1   2.3.2.27 ? ? ? 
2 non-polymer syn 1,2-ETHANEDIOL                                        62.068    2   ?        ? ? ? 
3 non-polymer syn 'N-methyl-2-(methylsulfonyl)aniline'                  185.243   1   ?        ? ? ? 
4 non-polymer syn '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID' 238.305   1   ?        ? ? ? 
5 non-polymer syn 'SULFATE ION'                                         96.063    1   ?        ? ? ? 
6 water       nat water                                                 18.015    143 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;52 kDa Ro protein,52 kDa ribonucleoprotein autoantigen Ro/SS-A,Ro(SS-A),Sjoegren syndrome type A antigen,SS-A,Tripartite motif-containing protein 21
;
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_strand_id                 B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 1,2-ETHANEDIOL                                        EDO 
3 'N-methyl-2-(methylsulfonyl)aniline'                  UVA 
4 '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID' EPE 
5 'SULFATE ION'                                         SO4 
6 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  
EPE non-polymer         . '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID' HEPES             'C8 H18 N2 O4 S' 238.305 
GLN 'L-peptide linking' y GLUTAMINE                                             ?                 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'                                       ?                 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE                                               ?                 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE                                             ?                 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER                                                 ?                 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE                                            ?                 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE                                               ?                 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE                                                ?                 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE                                            ?                 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE                                         ?                 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE                                               ?                 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE                                                ?                 'C3 H7 N O3'     105.093 
SO4 non-polymer         . 'SULFATE ION'                                         ?                 'O4 S -2'        96.063  
THR 'L-peptide linking' y THREONINE                                             ?                 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN                                            ?                 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE                                              ?                 'C9 H11 N O3'    181.189 
UVA non-polymer         . 'N-methyl-2-(methylsulfonyl)aniline'                  ?                 'C8 H11 N O2 S'  185.243 
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        UVA 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   UVA 
_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 UVA 1   202 301 UVA LIG B . 
D 4 EPE 1   203 302 EPE EPE B . 
E 2 EDO 1   204 305 EDO EDO B . 
F 5 SO4 1   205 1   SO4 SO4 B . 
G 6 HOH 1   301 12  HOH HOH B . 
G 6 HOH 2   302 2   HOH HOH B . 
G 6 HOH 3   303 11  HOH HOH B . 
G 6 HOH 4   304 129 HOH HOH B . 
G 6 HOH 5   305 29  HOH HOH B . 
G 6 HOH 6   306 99  HOH HOH B . 
G 6 HOH 7   307 107 HOH HOH B . 
G 6 HOH 8   308 26  HOH HOH B . 
G 6 HOH 9   309 21  HOH HOH B . 
G 6 HOH 10  310 1   HOH HOH B . 
G 6 HOH 11  311 40  HOH HOH B . 
G 6 HOH 12  312 63  HOH HOH B . 
G 6 HOH 13  313 281 HOH HOH B . 
G 6 HOH 14  314 33  HOH HOH B . 
G 6 HOH 15  315 120 HOH HOH B . 
G 6 HOH 16  316 16  HOH HOH B . 
G 6 HOH 17  317 27  HOH HOH B . 
G 6 HOH 18  318 9   HOH HOH B . 
G 6 HOH 19  319 4   HOH HOH B . 
G 6 HOH 20  320 90  HOH HOH B . 
G 6 HOH 21  321 31  HOH HOH B . 
G 6 HOH 22  322 51  HOH HOH B . 
G 6 HOH 23  323 102 HOH HOH B . 
G 6 HOH 24  324 25  HOH HOH B . 
G 6 HOH 25  325 80  HOH HOH B . 
G 6 HOH 26  326 5   HOH HOH B . 
G 6 HOH 27  327 184 HOH HOH B . 
G 6 HOH 28  328 95  HOH HOH B . 
G 6 HOH 29  329 11  HOH HOH B . 
G 6 HOH 30  330 100 HOH HOH B . 
G 6 HOH 31  331 16  HOH HOH B . 
G 6 HOH 32  332 34  HOH HOH B . 
G 6 HOH 33  333 66  HOH HOH B . 
G 6 HOH 34  334 10  HOH HOH B . 
G 6 HOH 35  335 39  HOH HOH B . 
G 6 HOH 36  336 36  HOH HOH B . 
G 6 HOH 37  337 89  HOH HOH B . 
G 6 HOH 38  338 55  HOH HOH B . 
G 6 HOH 39  339 27  HOH HOH B . 
G 6 HOH 40  340 72  HOH HOH B . 
G 6 HOH 41  341 86  HOH HOH B . 
G 6 HOH 42  342 62  HOH HOH B . 
G 6 HOH 43  343 19  HOH HOH B . 
G 6 HOH 44  344 20  HOH HOH B . 
G 6 HOH 45  345 22  HOH HOH B . 
G 6 HOH 46  346 70  HOH HOH B . 
G 6 HOH 47  347 7   HOH HOH B . 
G 6 HOH 48  348 264 HOH HOH B . 
G 6 HOH 49  349 68  HOH HOH B . 
G 6 HOH 50  350 2   HOH HOH B . 
G 6 HOH 51  351 211 HOH HOH B . 
G 6 HOH 52  352 58  HOH HOH B . 
G 6 HOH 53  353 29  HOH HOH B . 
G 6 HOH 54  354 116 HOH HOH B . 
G 6 HOH 55  355 137 HOH HOH B . 
G 6 HOH 56  356 81  HOH HOH B . 
G 6 HOH 57  357 157 HOH HOH B . 
G 6 HOH 58  358 76  HOH HOH B . 
G 6 HOH 59  359 18  HOH HOH B . 
G 6 HOH 60  360 43  HOH HOH B . 
G 6 HOH 61  361 50  HOH HOH B . 
G 6 HOH 62  362 10  HOH HOH B . 
G 6 HOH 63  363 59  HOH HOH B . 
G 6 HOH 64  364 156 HOH HOH B . 
G 6 HOH 65  365 15  HOH HOH B . 
G 6 HOH 66  366 26  HOH HOH B . 
G 6 HOH 67  367 267 HOH HOH B . 
G 6 HOH 68  368 6   HOH HOH B . 
G 6 HOH 69  369 172 HOH HOH B . 
G 6 HOH 70  370 126 HOH HOH B . 
G 6 HOH 71  371 61  HOH HOH B . 
G 6 HOH 72  372 93  HOH HOH B . 
G 6 HOH 73  373 71  HOH HOH B . 
G 6 HOH 74  374 47  HOH HOH B . 
G 6 HOH 75  375 4   HOH HOH B . 
G 6 HOH 76  376 304 HOH HOH B . 
G 6 HOH 77  377 14  HOH HOH B . 
G 6 HOH 78  378 32  HOH HOH B . 
G 6 HOH 79  379 1   HOH HOH B . 
G 6 HOH 80  380 3   HOH HOH B . 
G 6 HOH 81  381 73  HOH HOH B . 
G 6 HOH 82  382 33  HOH HOH B . 
G 6 HOH 83  383 24  HOH HOH B . 
G 6 HOH 84  384 8   HOH HOH B . 
G 6 HOH 85  385 32  HOH HOH B . 
G 6 HOH 86  386 3   HOH HOH B . 
G 6 HOH 87  387 30  HOH HOH B . 
G 6 HOH 88  388 64  HOH HOH B . 
G 6 HOH 89  389 214 HOH HOH B . 
G 6 HOH 90  390 17  HOH HOH B . 
G 6 HOH 91  391 42  HOH HOH B . 
G 6 HOH 92  392 12  HOH HOH B . 
G 6 HOH 93  393 5   HOH HOH B . 
G 6 HOH 94  394 85  HOH HOH B . 
G 6 HOH 95  395 46  HOH HOH B . 
G 6 HOH 96  396 25  HOH HOH B . 
G 6 HOH 97  397 49  HOH HOH B . 
G 6 HOH 98  398 197 HOH HOH B . 
G 6 HOH 99  399 97  HOH HOH B . 
G 6 HOH 100 400 303 HOH HOH B . 
G 6 HOH 101 401 23  HOH HOH B . 
G 6 HOH 102 402 263 HOH HOH B . 
G 6 HOH 103 403 48  HOH HOH B . 
G 6 HOH 104 404 60  HOH HOH B . 
G 6 HOH 105 405 56  HOH HOH B . 
G 6 HOH 106 406 125 HOH HOH B . 
G 6 HOH 107 407 8   HOH HOH B . 
G 6 HOH 108 408 20  HOH HOH B . 
G 6 HOH 109 409 140 HOH HOH B . 
G 6 HOH 110 410 13  HOH HOH B . 
G 6 HOH 111 411 45  HOH HOH B . 
G 6 HOH 112 412 7   HOH HOH B . 
G 6 HOH 113 413 44  HOH HOH B . 
G 6 HOH 114 414 15  HOH HOH B . 
G 6 HOH 115 415 53  HOH HOH B . 
G 6 HOH 116 416 41  HOH HOH B . 
G 6 HOH 117 417 38  HOH HOH B . 
G 6 HOH 118 418 57  HOH HOH B . 
G 6 HOH 119 419 257 HOH HOH B . 
G 6 HOH 120 420 18  HOH HOH B . 
G 6 HOH 121 421 103 HOH HOH B . 
G 6 HOH 122 422 54  HOH HOH B . 
G 6 HOH 123 423 69  HOH HOH B . 
G 6 HOH 124 424 154 HOH HOH B . 
G 6 HOH 125 425 22  HOH HOH B . 
G 6 HOH 126 426 133 HOH HOH B . 
G 6 HOH 127 427 112 HOH HOH B . 
G 6 HOH 128 428 30  HOH HOH B . 
G 6 HOH 129 429 19  HOH HOH B . 
G 6 HOH 130 430 266 HOH HOH B . 
G 6 HOH 131 431 114 HOH HOH B . 
G 6 HOH 132 432 115 HOH HOH B . 
G 6 HOH 133 433 23  HOH HOH B . 
G 6 HOH 134 434 21  HOH HOH B . 
G 6 HOH 135 435 13  HOH HOH B . 
G 6 HOH 136 436 104 HOH HOH B . 
G 6 HOH 137 437 166 HOH HOH B . 
G 6 HOH 138 438 205 HOH HOH B . 
G 6 HOH 139 439 127 HOH HOH B . 
G 6 HOH 140 440 259 HOH HOH B . 
G 6 HOH 141 441 14  HOH HOH B . 
G 6 HOH 142 442 131 HOH HOH B . 
G 6 HOH 143 443 270 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           7HM8 
_cell.length_a           95.639 
_cell.length_b           95.639 
_cell.length_c           45.820 
_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                         7HM8 
_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          7HM8 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.43 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   49.30 
_exptl_crystal.size_max              ? 
_exptl_crystal.size_mid              ? 
_exptl_crystal.size_min              ? 
_exptl_crystal.size_rad              ? 
_exptl_crystal.description           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.pH              8 
_exptl_crystal_grow.temp            293 
_exptl_crystal_grow.pdbx_details    '4 % PEG 400, 2 M AmmSO4, 0.1 M HEPES pH 8' 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           100 
_diffrn.crystal_id             1 
_diffrn.ambient_temp_details   ? 
# 
_diffrn_detector.detector               PIXEL 
_diffrn_detector.type                   'DECTRIS EIGER2 XE 9M' 
_diffrn_detector.pdbx_collection_date   2024-05-23 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.92124 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'DIAMOND BEAMLINE I04-1' 
_diffrn_source.pdbx_wavelength_list        0.92124 
_diffrn_source.pdbx_synchrotron_site       Diamond 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HM8 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             41.320 
_reflns.d_resolution_high            1.330 
_reflns.number_obs                   47530 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         99.500 
_reflns.pdbx_Rmerge_I_obs            0.082 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        14.800 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              11.600 
_reflns.pdbx_Rrim_I_all              0.086 
_reflns.pdbx_Rpim_I_all              0.024 
_reflns.pdbx_CC_half                 0.999 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     552323 
_reflns.pdbx_scaling_rejects         0 
_reflns.pdbx_chi_squared             ? 
_reflns.Rmerge_F_all                 ? 
_reflns.Rmerge_F_obs                 ? 
_reflns.observed_criterion_F_max     ? 
_reflns.observed_criterion_F_min     ? 
_reflns.observed_criterion_I_max     ? 
_reflns.observed_criterion_I_min     ? 
_reflns.pdbx_d_res_high_opt          ? 
_reflns.pdbx_d_res_low_opt           ? 
_reflns.details                      ? 
# 
loop_
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_ordinal 
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.number_measured_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_unique_obs 
_reflns_shell.pdbx_rejects 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_redundancy 
_reflns_shell.percent_possible_obs 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.Rmerge_I_all 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.percent_possible_all 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_CC_half 
1 1 1.330 1.350  ? 11213 2204 ? 1.737 ? ? ? 5.100  ? 0.500  ? ? ? ? ? ? 93.600 1.931 0.816 0.375 
1 2 7.280 41.320 ? 3801  315  ? 0.053 ? ? ? 12.100 ? 76.000 ? ? ? ? ? ? 99.600 0.056 0.018 0.972 
# 
_refine.entry_id                                 7HM8 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.3300 
_refine.ls_d_res_low                             41.3600 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    99.3900 
_refine.ls_number_reflns_obs                     45217 
_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                          0.1809 
_refine.ls_R_factor_R_work                       0.1799 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.1990 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.8000 
_refine.ls_number_reflns_R_free                  2290 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               19.5960 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.1500 
_refine.aniso_B[2][2]                            0.1500 
_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               0.9690 
_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                       0.0550 
_refine.pdbx_overall_ESU_R_Free                  0.0560 
_refine.overall_SU_ML                            0.0490 
_refine.overall_SU_B                             1.3140 
_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                                106.370 
_refine.B_iso_min                                10.090 
_refine.pdbx_overall_phase_error                 ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.pdbx_diffrn_id                           1 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.ls_R_factor_R_free_error_details         ? 
# 
_refine_hist.cycle_id                         final 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.d_res_high                       1.3300 
_refine_hist.d_res_low                        41.3600 
_refine_hist.pdbx_number_atoms_ligand         40 
_refine_hist.number_atoms_solvent             143 
_refine_hist.number_atoms_total               1676 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           57.67 
_refine_hist.pdbx_B_iso_mean_solvent          29.41 
_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       2027 0.012  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1634 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2540 1.776  1.641  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3773 1.437  1.578  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 235  7.072  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 107  27.562 21.215 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 285  11.957 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   22.320 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         219  0.088  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2222 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     496  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            949  1.537  1.654  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         942  1.516  1.637  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1129 2.425  2.464  ? ? 
# 
_refine_ls_shell.d_res_high                       1.3290 
_refine_ls_shell.d_res_low                        1.3630 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               93.5400 
_refine_ls_shell.number_reflns_R_work             3115 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3480 
_refine_ls_shell.R_factor_R_free                  0.3550 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             145 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                3260 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HM8 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z285782452' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HM8 
_struct_keywords.text            'SGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, TRIM21, LIGASE' 
_struct_keywords.pdbx_keywords   LIGASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
E N N 2 ? 
F N N 5 ? 
G N N 6 ? 
# 
_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              7HM8 
_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 7HM8 MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HM8 HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HM8 HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HM8 HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HM8 HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HM8 HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HM8 HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HM8 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       -2.62 
# 
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                   7HM8 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             CG 
_pdbx_validate_rmsd_angle.auth_asym_id_1             B 
_pdbx_validate_rmsd_angle.auth_comp_id_1             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_1              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CD 
_pdbx_validate_rmsd_angle.auth_asym_id_2             B 
_pdbx_validate_rmsd_angle.auth_comp_id_2             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_2              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             NE 
_pdbx_validate_rmsd_angle.auth_asym_id_3             B 
_pdbx_validate_rmsd_angle.auth_comp_id_3             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_3              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                127.48 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            15.68 
_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 SER B 67  ? B 179.82  156.62 
2 1 ASP B 152 ? ? -103.86 53.28  
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    B 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     431 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   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  
EPE N1   N N N 98  
EPE C2   C N N 99  
EPE C3   C N N 100 
EPE N4   N N N 101 
EPE C5   C N N 102 
EPE C6   C N N 103 
EPE C7   C N N 104 
EPE C8   C N N 105 
EPE O8   O N N 106 
EPE C9   C N N 107 
EPE C10  C N N 108 
EPE S    S N N 109 
EPE O1S  O N N 110 
EPE O2S  O N N 111 
EPE O3S  O N N 112 
EPE H21  H N N 113 
EPE H22  H N N 114 
EPE H31  H N N 115 
EPE H32  H N N 116 
EPE H51  H N N 117 
EPE H52  H N N 118 
EPE H61  H N N 119 
EPE H62  H N N 120 
EPE H71  H N N 121 
EPE H72  H N N 122 
EPE H81  H N N 123 
EPE H82  H N N 124 
EPE HO8  H N N 125 
EPE H91  H N N 126 
EPE H92  H N N 127 
EPE H101 H N N 128 
EPE H102 H N N 129 
EPE HOS3 H N N 130 
GLN N    N N N 131 
GLN CA   C N S 132 
GLN C    C N N 133 
GLN O    O N N 134 
GLN CB   C N N 135 
GLN CG   C N N 136 
GLN CD   C N N 137 
GLN OE1  O N N 138 
GLN NE2  N N N 139 
GLN OXT  O N N 140 
GLN H    H N N 141 
GLN H2   H N N 142 
GLN HA   H N N 143 
GLN HB2  H N N 144 
GLN HB3  H N N 145 
GLN HG2  H N N 146 
GLN HG3  H N N 147 
GLN HE21 H N N 148 
GLN HE22 H N N 149 
GLN HXT  H N N 150 
GLU N    N N N 151 
GLU CA   C N S 152 
GLU C    C N N 153 
GLU O    O N N 154 
GLU CB   C N N 155 
GLU CG   C N N 156 
GLU CD   C N N 157 
GLU OE1  O N N 158 
GLU OE2  O N N 159 
GLU OXT  O N N 160 
GLU H    H N N 161 
GLU H2   H N N 162 
GLU HA   H N N 163 
GLU HB2  H N N 164 
GLU HB3  H N N 165 
GLU HG2  H N N 166 
GLU HG3  H N N 167 
GLU HE2  H N N 168 
GLU HXT  H N N 169 
GLY N    N N N 170 
GLY CA   C N N 171 
GLY C    C N N 172 
GLY O    O N N 173 
GLY OXT  O N N 174 
GLY H    H N N 175 
GLY H2   H N N 176 
GLY HA2  H N N 177 
GLY HA3  H N N 178 
GLY HXT  H N N 179 
HIS N    N N N 180 
HIS CA   C N S 181 
HIS C    C N N 182 
HIS O    O N N 183 
HIS CB   C N N 184 
HIS CG   C Y N 185 
HIS ND1  N Y N 186 
HIS CD2  C Y N 187 
HIS CE1  C Y N 188 
HIS NE2  N Y N 189 
HIS OXT  O N N 190 
HIS H    H N N 191 
HIS H2   H N N 192 
HIS HA   H N N 193 
HIS HB2  H N N 194 
HIS HB3  H N N 195 
HIS HD1  H N N 196 
HIS HD2  H N N 197 
HIS HE1  H N N 198 
HIS HE2  H N N 199 
HIS HXT  H N N 200 
HOH O    O N N 201 
HOH H1   H N N 202 
HOH H2   H N N 203 
ILE N    N N N 204 
ILE CA   C N S 205 
ILE C    C N N 206 
ILE O    O N N 207 
ILE CB   C N S 208 
ILE CG1  C N N 209 
ILE CG2  C N N 210 
ILE CD1  C N N 211 
ILE OXT  O N N 212 
ILE H    H N N 213 
ILE H2   H N N 214 
ILE HA   H N N 215 
ILE HB   H N N 216 
ILE HG12 H N N 217 
ILE HG13 H N N 218 
ILE HG21 H N N 219 
ILE HG22 H N N 220 
ILE HG23 H N N 221 
ILE HD11 H N N 222 
ILE HD12 H N N 223 
ILE HD13 H N N 224 
ILE HXT  H N N 225 
LEU N    N N N 226 
LEU CA   C N S 227 
LEU C    C N N 228 
LEU O    O N N 229 
LEU CB   C N N 230 
LEU CG   C N N 231 
LEU CD1  C N N 232 
LEU CD2  C N N 233 
LEU OXT  O N N 234 
LEU H    H N N 235 
LEU H2   H N N 236 
LEU HA   H N N 237 
LEU HB2  H N N 238 
LEU HB3  H N N 239 
LEU HG   H N N 240 
LEU HD11 H N N 241 
LEU HD12 H N N 242 
LEU HD13 H N N 243 
LEU HD21 H N N 244 
LEU HD22 H N N 245 
LEU HD23 H N N 246 
LEU HXT  H N N 247 
LYS N    N N N 248 
LYS CA   C N S 249 
LYS C    C N N 250 
LYS O    O N N 251 
LYS CB   C N N 252 
LYS CG   C N N 253 
LYS CD   C N N 254 
LYS CE   C N N 255 
LYS NZ   N N N 256 
LYS OXT  O N N 257 
LYS H    H N N 258 
LYS H2   H N N 259 
LYS HA   H N N 260 
LYS HB2  H N N 261 
LYS HB3  H N N 262 
LYS HG2  H N N 263 
LYS HG3  H N N 264 
LYS HD2  H N N 265 
LYS HD3  H N N 266 
LYS HE2  H N N 267 
LYS HE3  H N N 268 
LYS HZ1  H N N 269 
LYS HZ2  H N N 270 
LYS HZ3  H N N 271 
LYS HXT  H N N 272 
MET N    N N N 273 
MET CA   C N S 274 
MET C    C N N 275 
MET O    O N N 276 
MET CB   C N N 277 
MET CG   C N N 278 
MET SD   S N N 279 
MET CE   C N N 280 
MET OXT  O N N 281 
MET H    H N N 282 
MET H2   H N N 283 
MET HA   H N N 284 
MET HB2  H N N 285 
MET HB3  H N N 286 
MET HG2  H N N 287 
MET HG3  H N N 288 
MET HE1  H N N 289 
MET HE2  H N N 290 
MET HE3  H N N 291 
MET HXT  H N N 292 
PHE N    N N N 293 
PHE CA   C N S 294 
PHE C    C N N 295 
PHE O    O N N 296 
PHE CB   C N N 297 
PHE CG   C Y N 298 
PHE CD1  C Y N 299 
PHE CD2  C Y N 300 
PHE CE1  C Y N 301 
PHE CE2  C Y N 302 
PHE CZ   C Y N 303 
PHE OXT  O N N 304 
PHE H    H N N 305 
PHE H2   H N N 306 
PHE HA   H N N 307 
PHE HB2  H N N 308 
PHE HB3  H N N 309 
PHE HD1  H N N 310 
PHE HD2  H N N 311 
PHE HE1  H N N 312 
PHE HE2  H N N 313 
PHE HZ   H N N 314 
PHE HXT  H N N 315 
PRO N    N N N 316 
PRO CA   C N S 317 
PRO C    C N N 318 
PRO O    O N N 319 
PRO CB   C N N 320 
PRO CG   C N N 321 
PRO CD   C N N 322 
PRO OXT  O N N 323 
PRO H    H N N 324 
PRO HA   H N N 325 
PRO HB2  H N N 326 
PRO HB3  H N N 327 
PRO HG2  H N N 328 
PRO HG3  H N N 329 
PRO HD2  H N N 330 
PRO HD3  H N N 331 
PRO HXT  H N N 332 
SER N    N N N 333 
SER CA   C N S 334 
SER C    C N N 335 
SER O    O N N 336 
SER CB   C N N 337 
SER OG   O N N 338 
SER OXT  O N N 339 
SER H    H N N 340 
SER H2   H N N 341 
SER HA   H N N 342 
SER HB2  H N N 343 
SER HB3  H N N 344 
SER HG   H N N 345 
SER HXT  H N N 346 
SO4 S    S N N 347 
SO4 O1   O N N 348 
SO4 O2   O N N 349 
SO4 O3   O N N 350 
SO4 O4   O N N 351 
THR N    N N N 352 
THR CA   C N S 353 
THR C    C N N 354 
THR O    O N N 355 
THR CB   C N R 356 
THR OG1  O N N 357 
THR CG2  C N N 358 
THR OXT  O N N 359 
THR H    H N N 360 
THR H2   H N N 361 
THR HA   H N N 362 
THR HB   H N N 363 
THR HG1  H N N 364 
THR HG21 H N N 365 
THR HG22 H N N 366 
THR HG23 H N N 367 
THR HXT  H N N 368 
TRP N    N N N 369 
TRP CA   C N S 370 
TRP C    C N N 371 
TRP O    O N N 372 
TRP CB   C N N 373 
TRP CG   C Y N 374 
TRP CD1  C Y N 375 
TRP CD2  C Y N 376 
TRP NE1  N Y N 377 
TRP CE2  C Y N 378 
TRP CE3  C Y N 379 
TRP CZ2  C Y N 380 
TRP CZ3  C Y N 381 
TRP CH2  C Y N 382 
TRP OXT  O N N 383 
TRP H    H N N 384 
TRP H2   H N N 385 
TRP HA   H N N 386 
TRP HB2  H N N 387 
TRP HB3  H N N 388 
TRP HD1  H N N 389 
TRP HE1  H N N 390 
TRP HE3  H N N 391 
TRP HZ2  H N N 392 
TRP HZ3  H N N 393 
TRP HH2  H N N 394 
TRP HXT  H N N 395 
TYR N    N N N 396 
TYR CA   C N S 397 
TYR C    C N N 398 
TYR O    O N N 399 
TYR CB   C N N 400 
TYR CG   C Y N 401 
TYR CD1  C Y N 402 
TYR CD2  C Y N 403 
TYR CE1  C Y N 404 
TYR CE2  C Y N 405 
TYR CZ   C Y N 406 
TYR OH   O N N 407 
TYR OXT  O N N 408 
TYR H    H N N 409 
TYR H2   H N N 410 
TYR HA   H N N 411 
TYR HB2  H N N 412 
TYR HB3  H N N 413 
TYR HD1  H N N 414 
TYR HD2  H N N 415 
TYR HE1  H N N 416 
TYR HE2  H N N 417 
TYR HH   H N N 418 
TYR HXT  H N N 419 
UVA C4   C Y N 420 
UVA C5   C Y N 421 
UVA C6   C Y N 422 
UVA C7   C N N 423 
UVA N    N N N 424 
UVA C    C N N 425 
UVA O    O N N 426 
UVA C1   C Y N 427 
UVA C2   C Y N 428 
UVA C3   C Y N 429 
UVA O1   O N N 430 
UVA S    S N N 431 
UVA H1   H N N 432 
UVA H2   H N N 433 
UVA H3   H N N 434 
UVA H4   H N N 435 
UVA H5   H N N 436 
UVA H6   H N N 437 
UVA H7   H N N 438 
UVA H8   H N N 439 
UVA H9   H N N 440 
UVA H10  H N N 441 
UVA H11  H N N 442 
VAL N    N N N 443 
VAL CA   C N S 444 
VAL C    C N N 445 
VAL O    O N N 446 
VAL CB   C N N 447 
VAL CG1  C N N 448 
VAL CG2  C N N 449 
VAL OXT  O N N 450 
VAL H    H N N 451 
VAL H2   H N N 452 
VAL HA   H N N 453 
VAL HB   H N N 454 
VAL HG11 H N N 455 
VAL HG12 H N N 456 
VAL HG13 H N N 457 
VAL HG21 H N N 458 
VAL HG22 H N N 459 
VAL HG23 H N N 460 
VAL HXT  H N N 461 
# 
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  
EPE N1  C2   sing N N 92  
EPE N1  C6   sing N N 93  
EPE N1  C9   sing N N 94  
EPE C2  C3   sing N N 95  
EPE C2  H21  sing N N 96  
EPE C2  H22  sing N N 97  
EPE C3  N4   sing N N 98  
EPE C3  H31  sing N N 99  
EPE C3  H32  sing N N 100 
EPE N4  C5   sing N N 101 
EPE N4  C7   sing N N 102 
EPE C5  C6   sing N N 103 
EPE C5  H51  sing N N 104 
EPE C5  H52  sing N N 105 
EPE C6  H61  sing N N 106 
EPE C6  H62  sing N N 107 
EPE C7  C8   sing N N 108 
EPE C7  H71  sing N N 109 
EPE C7  H72  sing N N 110 
EPE C8  O8   sing N N 111 
EPE C8  H81  sing N N 112 
EPE C8  H82  sing N N 113 
EPE O8  HO8  sing N N 114 
EPE C9  C10  sing N N 115 
EPE C9  H91  sing N N 116 
EPE C9  H92  sing N N 117 
EPE C10 S    sing N N 118 
EPE C10 H101 sing N N 119 
EPE C10 H102 sing N N 120 
EPE S   O1S  doub N N 121 
EPE S   O2S  doub N N 122 
EPE S   O3S  sing N N 123 
EPE O3S HOS3 sing N N 124 
GLN N   CA   sing N N 125 
GLN N   H    sing N N 126 
GLN N   H2   sing N N 127 
GLN CA  C    sing N N 128 
GLN CA  CB   sing N N 129 
GLN CA  HA   sing N N 130 
GLN C   O    doub N N 131 
GLN C   OXT  sing N N 132 
GLN CB  CG   sing N N 133 
GLN CB  HB2  sing N N 134 
GLN CB  HB3  sing N N 135 
GLN CG  CD   sing N N 136 
GLN CG  HG2  sing N N 137 
GLN CG  HG3  sing N N 138 
GLN CD  OE1  doub N N 139 
GLN CD  NE2  sing N N 140 
GLN NE2 HE21 sing N N 141 
GLN NE2 HE22 sing N N 142 
GLN OXT HXT  sing N N 143 
GLU N   CA   sing N N 144 
GLU N   H    sing N N 145 
GLU N   H2   sing N N 146 
GLU CA  C    sing N N 147 
GLU CA  CB   sing N N 148 
GLU CA  HA   sing N N 149 
GLU C   O    doub N N 150 
GLU C   OXT  sing N N 151 
GLU CB  CG   sing N N 152 
GLU CB  HB2  sing N N 153 
GLU CB  HB3  sing N N 154 
GLU CG  CD   sing N N 155 
GLU CG  HG2  sing N N 156 
GLU CG  HG3  sing N N 157 
GLU CD  OE1  doub N N 158 
GLU CD  OE2  sing N N 159 
GLU OE2 HE2  sing N N 160 
GLU OXT HXT  sing N N 161 
GLY N   CA   sing N N 162 
GLY N   H    sing N N 163 
GLY N   H2   sing N N 164 
GLY CA  C    sing N N 165 
GLY CA  HA2  sing N N 166 
GLY CA  HA3  sing N N 167 
GLY C   O    doub N N 168 
GLY C   OXT  sing N N 169 
GLY OXT HXT  sing N N 170 
HIS N   CA   sing N N 171 
HIS N   H    sing N N 172 
HIS N   H2   sing N N 173 
HIS CA  C    sing N N 174 
HIS CA  CB   sing N N 175 
HIS CA  HA   sing N N 176 
HIS C   O    doub N N 177 
HIS C   OXT  sing N N 178 
HIS CB  CG   sing N N 179 
HIS CB  HB2  sing N N 180 
HIS CB  HB3  sing N N 181 
HIS CG  ND1  sing Y N 182 
HIS CG  CD2  doub Y N 183 
HIS ND1 CE1  doub Y N 184 
HIS ND1 HD1  sing N N 185 
HIS CD2 NE2  sing Y N 186 
HIS CD2 HD2  sing N N 187 
HIS CE1 NE2  sing Y N 188 
HIS CE1 HE1  sing N N 189 
HIS NE2 HE2  sing N N 190 
HIS OXT HXT  sing N N 191 
HOH O   H1   sing N N 192 
HOH O   H2   sing N N 193 
ILE N   CA   sing N N 194 
ILE N   H    sing N N 195 
ILE N   H2   sing N N 196 
ILE CA  C    sing N N 197 
ILE CA  CB   sing N N 198 
ILE CA  HA   sing N N 199 
ILE C   O    doub N N 200 
ILE C   OXT  sing N N 201 
ILE CB  CG1  sing N N 202 
ILE CB  CG2  sing N N 203 
ILE CB  HB   sing N N 204 
ILE CG1 CD1  sing N N 205 
ILE CG1 HG12 sing N N 206 
ILE CG1 HG13 sing N N 207 
ILE CG2 HG21 sing N N 208 
ILE CG2 HG22 sing N N 209 
ILE CG2 HG23 sing N N 210 
ILE CD1 HD11 sing N N 211 
ILE CD1 HD12 sing N N 212 
ILE CD1 HD13 sing N N 213 
ILE OXT HXT  sing N N 214 
LEU N   CA   sing N N 215 
LEU N   H    sing N N 216 
LEU N   H2   sing N N 217 
LEU CA  C    sing N N 218 
LEU CA  CB   sing N N 219 
LEU CA  HA   sing N N 220 
LEU C   O    doub N N 221 
LEU C   OXT  sing N N 222 
LEU CB  CG   sing N N 223 
LEU CB  HB2  sing N N 224 
LEU CB  HB3  sing N N 225 
LEU CG  CD1  sing N N 226 
LEU CG  CD2  sing N N 227 
LEU CG  HG   sing N N 228 
LEU CD1 HD11 sing N N 229 
LEU CD1 HD12 sing N N 230 
LEU CD1 HD13 sing N N 231 
LEU CD2 HD21 sing N N 232 
LEU CD2 HD22 sing N N 233 
LEU CD2 HD23 sing N N 234 
LEU OXT HXT  sing N N 235 
LYS N   CA   sing N N 236 
LYS N   H    sing N N 237 
LYS N   H2   sing N N 238 
LYS CA  C    sing N N 239 
LYS CA  CB   sing N N 240 
LYS CA  HA   sing N N 241 
LYS C   O    doub N N 242 
LYS C   OXT  sing N N 243 
LYS CB  CG   sing N N 244 
LYS CB  HB2  sing N N 245 
LYS CB  HB3  sing N N 246 
LYS CG  CD   sing N N 247 
LYS CG  HG2  sing N N 248 
LYS CG  HG3  sing N N 249 
LYS CD  CE   sing N N 250 
LYS CD  HD2  sing N N 251 
LYS CD  HD3  sing N N 252 
LYS CE  NZ   sing N N 253 
LYS CE  HE2  sing N N 254 
LYS CE  HE3  sing N N 255 
LYS NZ  HZ1  sing N N 256 
LYS NZ  HZ2  sing N N 257 
LYS NZ  HZ3  sing N N 258 
LYS OXT HXT  sing N N 259 
MET N   CA   sing N N 260 
MET N   H    sing N N 261 
MET N   H2   sing N N 262 
MET CA  C    sing N N 263 
MET CA  CB   sing N N 264 
MET CA  HA   sing N N 265 
MET C   O    doub N N 266 
MET C   OXT  sing N N 267 
MET CB  CG   sing N N 268 
MET CB  HB2  sing N N 269 
MET CB  HB3  sing N N 270 
MET CG  SD   sing N N 271 
MET CG  HG2  sing N N 272 
MET CG  HG3  sing N N 273 
MET SD  CE   sing N N 274 
MET CE  HE1  sing N N 275 
MET CE  HE2  sing N N 276 
MET CE  HE3  sing N N 277 
MET OXT HXT  sing N N 278 
PHE N   CA   sing N N 279 
PHE N   H    sing N N 280 
PHE N   H2   sing N N 281 
PHE CA  C    sing N N 282 
PHE CA  CB   sing N N 283 
PHE CA  HA   sing N N 284 
PHE C   O    doub N N 285 
PHE C   OXT  sing N N 286 
PHE CB  CG   sing N N 287 
PHE CB  HB2  sing N N 288 
PHE CB  HB3  sing N N 289 
PHE CG  CD1  doub Y N 290 
PHE CG  CD2  sing Y N 291 
PHE CD1 CE1  sing Y N 292 
PHE CD1 HD1  sing N N 293 
PHE CD2 CE2  doub Y N 294 
PHE CD2 HD2  sing N N 295 
PHE CE1 CZ   doub Y N 296 
PHE CE1 HE1  sing N N 297 
PHE CE2 CZ   sing Y N 298 
PHE CE2 HE2  sing N N 299 
PHE CZ  HZ   sing N N 300 
PHE OXT HXT  sing N N 301 
PRO N   CA   sing N N 302 
PRO N   CD   sing N N 303 
PRO N   H    sing N N 304 
PRO CA  C    sing N N 305 
PRO CA  CB   sing N N 306 
PRO CA  HA   sing N N 307 
PRO C   O    doub N N 308 
PRO C   OXT  sing N N 309 
PRO CB  CG   sing N N 310 
PRO CB  HB2  sing N N 311 
PRO CB  HB3  sing N N 312 
PRO CG  CD   sing N N 313 
PRO CG  HG2  sing N N 314 
PRO CG  HG3  sing N N 315 
PRO CD  HD2  sing N N 316 
PRO CD  HD3  sing N N 317 
PRO OXT HXT  sing N N 318 
SER N   CA   sing N N 319 
SER N   H    sing N N 320 
SER N   H2   sing N N 321 
SER CA  C    sing N N 322 
SER CA  CB   sing N N 323 
SER CA  HA   sing N N 324 
SER C   O    doub N N 325 
SER C   OXT  sing N N 326 
SER CB  OG   sing N N 327 
SER CB  HB2  sing N N 328 
SER CB  HB3  sing N N 329 
SER OG  HG   sing N N 330 
SER OXT HXT  sing N N 331 
SO4 S   O1   doub N N 332 
SO4 S   O2   doub N N 333 
SO4 S   O3   sing N N 334 
SO4 S   O4   sing N N 335 
THR N   CA   sing N N 336 
THR N   H    sing N N 337 
THR N   H2   sing N N 338 
THR CA  C    sing N N 339 
THR CA  CB   sing N N 340 
THR CA  HA   sing N N 341 
THR C   O    doub N N 342 
THR C   OXT  sing N N 343 
THR CB  OG1  sing N N 344 
THR CB  CG2  sing N N 345 
THR CB  HB   sing N N 346 
THR OG1 HG1  sing N N 347 
THR CG2 HG21 sing N N 348 
THR CG2 HG22 sing N N 349 
THR CG2 HG23 sing N N 350 
THR OXT HXT  sing N N 351 
TRP N   CA   sing N N 352 
TRP N   H    sing N N 353 
TRP N   H2   sing N N 354 
TRP CA  C    sing N N 355 
TRP CA  CB   sing N N 356 
TRP CA  HA   sing N N 357 
TRP C   O    doub N N 358 
TRP C   OXT  sing N N 359 
TRP CB  CG   sing N N 360 
TRP CB  HB2  sing N N 361 
TRP CB  HB3  sing N N 362 
TRP CG  CD1  doub Y N 363 
TRP CG  CD2  sing Y N 364 
TRP CD1 NE1  sing Y N 365 
TRP CD1 HD1  sing N N 366 
TRP CD2 CE2  doub Y N 367 
TRP CD2 CE3  sing Y N 368 
TRP NE1 CE2  sing Y N 369 
TRP NE1 HE1  sing N N 370 
TRP CE2 CZ2  sing Y N 371 
TRP CE3 CZ3  doub Y N 372 
TRP CE3 HE3  sing N N 373 
TRP CZ2 CH2  doub Y N 374 
TRP CZ2 HZ2  sing N N 375 
TRP CZ3 CH2  sing Y N 376 
TRP CZ3 HZ3  sing N N 377 
TRP CH2 HH2  sing N N 378 
TRP OXT HXT  sing N N 379 
TYR N   CA   sing N N 380 
TYR N   H    sing N N 381 
TYR N   H2   sing N N 382 
TYR CA  C    sing N N 383 
TYR CA  CB   sing N N 384 
TYR CA  HA   sing N N 385 
TYR C   O    doub N N 386 
TYR C   OXT  sing N N 387 
TYR CB  CG   sing N N 388 
TYR CB  HB2  sing N N 389 
TYR CB  HB3  sing N N 390 
TYR CG  CD1  doub Y N 391 
TYR CG  CD2  sing Y N 392 
TYR CD1 CE1  sing Y N 393 
TYR CD1 HD1  sing N N 394 
TYR CD2 CE2  doub Y N 395 
TYR CD2 HD2  sing N N 396 
TYR CE1 CZ   doub Y N 397 
TYR CE1 HE1  sing N N 398 
TYR CE2 CZ   sing Y N 399 
TYR CE2 HE2  sing N N 400 
TYR CZ  OH   sing N N 401 
TYR OH  HH   sing N N 402 
TYR OXT HXT  sing N N 403 
UVA C4  C5   doub Y N 404 
UVA C4  C3   sing Y N 405 
UVA C5  C6   sing Y N 406 
UVA O   S    doub N N 407 
UVA C3  C2   doub Y N 408 
UVA C6  S    sing N N 409 
UVA C6  C1   doub Y N 410 
UVA S   O1   doub N N 411 
UVA S   C7   sing N N 412 
UVA C2  C1   sing Y N 413 
UVA C1  N    sing N N 414 
UVA N   C    sing N N 415 
UVA C4  H1   sing N N 416 
UVA C5  H2   sing N N 417 
UVA C7  H3   sing N N 418 
UVA C7  H4   sing N N 419 
UVA C7  H5   sing N N 420 
UVA N   H6   sing N N 421 
UVA C   H7   sing N N 422 
UVA C   H8   sing N N 423 
UVA C   H9   sing N N 424 
UVA C2  H10  sing N N 425 
UVA C3  H11  sing N N 426 
VAL N   CA   sing N N 427 
VAL N   H    sing N N 428 
VAL N   H2   sing N N 429 
VAL CA  C    sing N N 430 
VAL CA  CB   sing N N 431 
VAL CA  HA   sing N N 432 
VAL C   O    doub N N 433 
VAL C   OXT  sing N N 434 
VAL CB  CG1  sing N N 435 
VAL CB  CG2  sing N N 436 
VAL CB  HB   sing N N 437 
VAL CG1 HG11 sing N N 438 
VAL CG1 HG12 sing N N 439 
VAL CG1 HG13 sing N N 440 
VAL CG2 HG21 sing N N 441 
VAL CG2 HG22 sing N N 442 
VAL CG2 HG23 sing N N 443 
VAL OXT HXT  sing N N 444 
# 
_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                    7HM8 
_atom_sites.fract_transf_matrix[1][1]   0.010456 
_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]   0.010456 
_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]   0.021825 
_atom_sites.fract_transf_vector[1]      0.000000 
_atom_sites.fract_transf_vector[2]      0.000000 
_atom_sites.fract_transf_vector[3]      0.000000 
# 
loop_
_atom_type.symbol 
C 
N 
O 
S 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N   . HIS A 1 2   ? -13.111 -13.168 -9.901  1.00 74.14  ? 8   HIS B N   1 
ATOM   2    C CA  . HIS A 1 2   ? -12.737 -13.664 -11.267 1.00 68.47  ? 8   HIS B CA  1 
ATOM   3    C C   . HIS A 1 2   ? -11.705 -12.721 -11.896 1.00 66.83  ? 8   HIS B C   1 
ATOM   4    O O   . HIS A 1 2   ? -11.724 -11.508 -11.574 1.00 74.22  ? 8   HIS B O   1 
ATOM   5    C CB  . HIS A 1 2   ? -13.985 -13.828 -12.156 1.00 61.57  ? 8   HIS B CB  1 
ATOM   6    C CG  . HIS A 1 2   ? -14.554 -12.550 -12.692 1.00 57.72  ? 8   HIS B CG  1 
ATOM   7    N ND1 . HIS A 1 2   ? -14.058 -11.940 -13.833 1.00 57.33  ? 8   HIS B ND1 1 
ATOM   8    C CD2 . HIS A 1 2   ? -15.585 -11.780 -12.276 1.00 55.63  ? 8   HIS B CD2 1 
ATOM   9    C CE1 . HIS A 1 2   ? -14.741 -10.836 -14.076 1.00 58.83  ? 8   HIS B CE1 1 
ATOM   10   N NE2 . HIS A 1 2   ? -15.690 -10.715 -13.143 1.00 54.59  ? 8   HIS B NE2 1 
ATOM   11   N N   . HIS A 1 3   ? -10.873 -13.257 -12.791 1.00 62.95  ? 9   HIS B N   1 
ATOM   12   C CA  . HIS A 1 3   ? -9.834  -12.515 -13.554 1.00 62.42  ? 9   HIS B CA  1 
ATOM   13   C C   . HIS A 1 3   ? -10.078 -12.690 -15.068 1.00 55.21  ? 9   HIS B C   1 
ATOM   14   O O   . HIS A 1 3   ? -9.092  -12.948 -15.795 1.00 53.90  ? 9   HIS B O   1 
ATOM   15   C CB  . HIS A 1 3   ? -8.444  -12.941 -13.033 1.00 71.03  ? 9   HIS B CB  1 
ATOM   16   C CG  . HIS A 1 3   ? -8.270  -12.720 -11.557 1.00 79.04  ? 9   HIS B CG  1 
ATOM   17   N ND1 . HIS A 1 3   ? -8.239  -11.450 -10.986 1.00 80.68  ? 9   HIS B ND1 1 
ATOM   18   C CD2 . HIS A 1 3   ? -8.134  -13.589 -10.529 1.00 81.73  ? 9   HIS B CD2 1 
ATOM   19   C CE1 . HIS A 1 3   ? -8.090  -11.552 -9.680  1.00 78.56  ? 9   HIS B CE1 1 
ATOM   20   N NE2 . HIS A 1 3   ? -8.019  -12.855 -9.374  1.00 81.21  ? 9   HIS B NE2 1 
ATOM   21   N N   . HIS A 1 4   ? -11.339 -12.515 -15.525 1.00 43.14  ? 10  HIS B N   1 
ATOM   22   C CA  . HIS A 1 4   ? -11.812 -12.683 -16.938 1.00 36.85  ? 10  HIS B CA  1 
ATOM   23   C C   . HIS A 1 4   ? -11.805 -11.334 -17.668 1.00 36.02  ? 10  HIS B C   1 
ATOM   24   O O   . HIS A 1 4   ? -11.922 -11.319 -18.917 1.00 33.14  ? 10  HIS B O   1 
ATOM   25   C CB  . HIS A 1 4   ? -13.226 -13.300 -16.981 1.00 34.42  ? 10  HIS B CB  1 
ATOM   26   C CG  . HIS A 1 4   ? -13.316 -14.677 -16.410 1.00 34.18  ? 10  HIS B CG  1 
ATOM   27   N ND1 . HIS A 1 4   ? -12.395 -15.683 -16.726 1.00 33.64  ? 10  HIS B ND1 1 
ATOM   28   C CD2 . HIS A 1 4   ? -14.200 -15.231 -15.554 1.00 32.41  ? 10  HIS B CD2 1 
ATOM   29   C CE1 . HIS A 1 4   ? -12.726 -16.792 -16.084 1.00 40.63  ? 10  HIS B CE1 1 
ATOM   30   N NE2 . HIS A 1 4   ? -13.834 -16.539 -15.361 1.00 37.38  ? 10  HIS B NE2 1 
ATOM   31   N N   . HIS A 1 5   ? -11.658 -10.231 -16.926 1.00 36.93  ? 11  HIS B N   1 
ATOM   32   C CA  . HIS A 1 5   ? -11.733 -8.833  -17.442 1.00 40.38  ? 11  HIS B CA  1 
ATOM   33   C C   . HIS A 1 5   ? -10.847 -8.647  -18.685 1.00 38.98  ? 11  HIS B C   1 
ATOM   34   O O   . HIS A 1 5   ? -11.294 -7.944  -19.618 1.00 37.24  ? 11  HIS B O   1 
ATOM   35   C CB  . HIS A 1 5   ? -11.378 -7.802  -16.347 1.00 50.08  ? 11  HIS B CB  1 
ATOM   36   C CG  . HIS A 1 5   ? -12.186 -7.924  -15.097 1.00 63.04  ? 11  HIS B CG  1 
ATOM   37   N ND1 . HIS A 1 5   ? -11.690 -8.535  -13.947 1.00 77.16  ? 11  HIS B ND1 1 
ATOM   38   C CD2 . HIS A 1 5   ? -13.446 -7.527  -14.799 1.00 71.38  ? 11  HIS B CD2 1 
ATOM   39   C CE1 . HIS A 1 5   ? -12.612 -8.507  -12.999 1.00 77.68  ? 11  HIS B CE1 1 
ATOM   40   N NE2 . HIS A 1 5   ? -13.703 -7.894  -13.498 1.00 74.88  ? 11  HIS B NE2 1 
ATOM   41   N N   . HIS A 1 6   ? -9.657  -9.272  -18.728 1.00 37.07  ? 12  HIS B N   1 
ATOM   42   C CA  . HIS A 1 6   ? -8.655  -9.120  -19.821 1.00 36.22  ? 12  HIS B CA  1 
ATOM   43   C C   . HIS A 1 6   ? -9.088  -9.809  -21.130 1.00 35.23  ? 12  HIS B C   1 
ATOM   44   O O   . HIS A 1 6   ? -8.398  -9.600  -22.134 1.00 36.45  ? 12  HIS B O   1 
ATOM   45   C CB  . HIS A 1 6   ? -7.279  -9.612  -19.344 1.00 43.29  ? 12  HIS B CB  1 
ATOM   46   C CG  . HIS A 1 6   ? -7.168  -11.084 -19.149 1.00 43.62  ? 12  HIS B CG  1 
ATOM   47   N ND1 . HIS A 1 6   ? -6.582  -11.912 -20.090 1.00 52.73  ? 12  HIS B ND1 1 
ATOM   48   C CD2 . HIS A 1 6   ? -7.529  -11.877 -18.116 1.00 48.20  ? 12  HIS B CD2 1 
ATOM   49   C CE1 . HIS A 1 6   ? -6.602  -13.159 -19.654 1.00 45.92  ? 12  HIS B CE1 1 
ATOM   50   N NE2 . HIS A 1 6   ? -7.173  -13.166 -18.447 1.00 51.86  ? 12  HIS B NE2 1 
ATOM   51   N N   . HIS A 1 7   ? -10.155 -10.628 -21.146 1.00 27.54  ? 13  HIS B N   1 
ATOM   52   C CA  . HIS A 1 7   ? -10.783 -11.155 -22.397 1.00 24.12  ? 13  HIS B CA  1 
ATOM   53   C C   . HIS A 1 7   ? -11.896 -10.226 -22.866 1.00 22.23  ? 13  HIS B C   1 
ATOM   54   O O   . HIS A 1 7   ? -12.748 -10.680 -23.643 1.00 19.10  ? 13  HIS B O   1 
ATOM   55   C CB  . HIS A 1 7   ? -11.328 -12.557 -22.188 1.00 23.03  ? 13  HIS B CB  1 
ATOM   56   C CG  . HIS A 1 7   ? -10.272 -13.519 -21.752 1.00 24.53  ? 13  HIS B CG  1 
ATOM   57   N ND1 . HIS A 1 7   ? -9.224  -13.840 -22.603 1.00 25.44  ? 13  HIS B ND1 1 
ATOM   58   C CD2 . HIS A 1 7   ? -10.112 -14.220 -20.604 1.00 25.36  ? 13  HIS B CD2 1 
ATOM   59   C CE1 . HIS A 1 7   ? -8.442  -14.715 -21.986 1.00 24.24  ? 13  HIS B CE1 1 
ATOM   60   N NE2 . HIS A 1 7   ? -8.933  -14.946 -20.746 1.00 27.35  ? 13  HIS B NE2 1 
ATOM   61   N N   . MET A 1 8   ? -11.927 -8.997  -22.374 1.00 21.67  ? 14  MET B N   1 
ATOM   62   C CA  . MET A 1 8   ? -12.992 -8.014  -22.697 1.00 26.02  ? 14  MET B CA  1 
ATOM   63   C C   . MET A 1 8   ? -13.103 -7.854  -24.219 1.00 24.01  ? 14  MET B C   1 
ATOM   64   O O   . MET A 1 8   ? -12.073 -7.747  -24.924 1.00 27.68  ? 14  MET B O   1 
ATOM   65   C CB  . MET A 1 8   ? -12.677 -6.665  -22.040 1.00 30.84  ? 14  MET B CB  1 
ATOM   66   C CG  . MET A 1 8   ? -13.684 -5.549  -22.321 1.00 37.53  ? 14  MET B CG  1 
ATOM   67   S SD  . MET A 1 8   ? -15.283 -5.739  -21.443 1.00 47.95  ? 14  MET B SD  1 
ATOM   68   C CE  . MET A 1 8   ? -14.868 -5.134  -19.813 1.00 34.76  ? 14  MET B CE  1 
ATOM   69   N N   . VAL A 1 9   ? -14.330 -7.838  -24.733 1.00 20.07  ? 15  VAL B N   1 
ATOM   70   C CA  . VAL A 1 9   ? -14.638 -7.595  -26.168 1.00 20.40  ? 15  VAL B CA  1 
ATOM   71   C C   . VAL A 1 9   ? -15.636 -6.416  -26.245 1.00 21.91  ? 15  VAL B C   1 
ATOM   72   O O   . VAL A 1 9   ? -16.490 -6.272  -25.335 1.00 21.20  ? 15  VAL B O   1 
ATOM   73   C CB  . VAL A 1 9   ? -15.148 -8.847  -26.901 1.00 23.11  ? 15  VAL B CB  1 
ATOM   74   C CG1 . VAL A 1 9   ? -14.032 -9.877  -27.025 1.00 25.39  ? 15  VAL B CG1 1 
ATOM   75   C CG2 . VAL A 1 9   ? -16.367 -9.461  -26.234 1.00 23.19  ? 15  VAL B CG2 1 
ATOM   76   N N   . HIS A 1 10  ? -15.574 -5.665  -27.336 1.00 21.65  ? 16  HIS B N   1 
ATOM   77   C CA  . HIS A 1 10  ? -16.450 -4.501  -27.603 1.00 21.62  ? 16  HIS B CA  1 
ATOM   78   C C   . HIS A 1 10  ? -17.671 -5.008  -28.373 1.00 20.65  ? 16  HIS B C   1 
ATOM   79   O O   . HIS A 1 10  ? -17.547 -5.405  -29.559 1.00 23.77  ? 16  HIS B O   1 
ATOM   80   C CB  . HIS A 1 10  ? -15.722 -3.413  -28.399 1.00 22.48  ? 16  HIS B CB  1 
ATOM   81   C CG  . HIS A 1 10  ? -16.490 -2.141  -28.601 1.00 27.56  ? 16  HIS B CG  1 
ATOM   82   N ND1 . HIS A 1 10  ? -16.595 -1.162  -27.628 1.00 31.84  ? 16  HIS B ND1 1 
ATOM   83   C CD2 . HIS A 1 10  ? -17.190 -1.688  -29.669 1.00 31.56  ? 16  HIS B CD2 1 
ATOM   84   C CE1 . HIS A 1 10  ? -17.323 -0.151  -28.086 1.00 29.63  ? 16  HIS B CE1 1 
ATOM   85   N NE2 . HIS A 1 10  ? -17.709 -0.451  -29.349 1.00 34.20  ? 16  HIS B NE2 1 
ATOM   86   N N   . ILE A 1 11  ? -18.795 -5.120  -27.670 1.00 16.48  ? 17  ILE B N   1 
ATOM   87   C CA  . ILE A 1 11  ? -20.045 -5.631  -28.260 1.00 18.33  ? 17  ILE B CA  1 
ATOM   88   C C   . ILE A 1 11  ? -20.875 -4.448  -28.761 1.00 17.83  ? 17  ILE B C   1 
ATOM   89   O O   . ILE A 1 11  ? -20.903 -3.421  -28.116 1.00 17.81  ? 17  ILE B O   1 
ATOM   90   C CB  . ILE A 1 11  ? -20.832 -6.458  -27.228 1.00 16.85  ? 17  ILE B CB  1 
ATOM   91   C CG1 . ILE A 1 11  ? -20.011 -7.656  -26.713 1.00 19.26  ? 17  ILE B CG1 1 
ATOM   92   C CG2 . ILE A 1 11  ? -22.180 -6.856  -27.818 1.00 16.31  ? 17  ILE B CG2 1 
ATOM   93   C CD1 . ILE A 1 11  ? -19.480 -8.584  -27.801 1.00 19.35  ? 17  ILE B CD1 1 
ATOM   94   N N   . THR A 1 12  ? -21.471 -4.629  -29.923 1.00 16.38  ? 18  THR B N   1 
ATOM   95   C CA  . THR A 1 12  ? -22.455 -3.653  -30.471 1.00 17.60  ? 18  THR B CA  1 
ATOM   96   C C   . THR A 1 12  ? -23.710 -4.410  -30.872 1.00 17.06  ? 18  THR B C   1 
ATOM   97   O O   . THR A 1 12  ? -23.653 -5.628  -31.138 1.00 18.37  ? 18  THR B O   1 
ATOM   98   C CB  . THR A 1 12  ? -21.882 -2.847  -31.640 1.00 19.86  ? 18  THR B CB  1 
ATOM   99   O OG1 . THR A 1 12  ? -21.539 -3.743  -32.670 1.00 19.67  ? 18  THR B OG1 1 
ATOM   100  C CG2 . THR A 1 12  ? -20.710 -1.956  -31.268 1.00 22.04  ? 18  THR B CG2 1 
ATOM   101  N N   . LEU A 1 13  ? -24.851 -3.719  -30.848 1.00 16.08  ? 19  LEU B N   1 
ATOM   102  C CA  . LEU A 1 13  ? -26.152 -4.348  -31.143 1.00 16.80  ? 19  LEU B CA  1 
ATOM   103  C C   . LEU A 1 13  ? -26.420 -4.337  -32.643 1.00 16.52  ? 19  LEU B C   1 
ATOM   104  O O   . LEU A 1 13  ? -26.089 -3.328  -33.301 1.00 17.48  ? 19  LEU B O   1 
ATOM   105  C CB  . LEU A 1 13  ? -27.234 -3.611  -30.361 1.00 16.25  ? 19  LEU B CB  1 
ATOM   106  C CG  . LEU A 1 13  ? -27.029 -3.675  -28.854 1.00 16.85  ? 19  LEU B CG  1 
ATOM   107  C CD1 . LEU A 1 13  ? -27.960 -2.728  -28.119 1.00 18.89  ? 19  LEU B CD1 1 
ATOM   108  C CD2 . LEU A 1 13  ? -27.166 -5.108  -28.325 1.00 18.32  ? 19  LEU B CD2 1 
ATOM   109  N N   . ASP A 1 14  ? -27.058 -5.365  -33.117 1.00 15.02  ? 20  ASP B N   1 
ATOM   110  C CA  . ASP A 1 14  ? -27.419 -5.541  -34.550 1.00 14.76  ? 20  ASP B CA  1 
ATOM   111  C C   . ASP A 1 14  ? -28.908 -5.150  -34.713 1.00 16.65  ? 20  ASP B C   1 
ATOM   112  O O   . ASP A 1 14  ? -29.792 -5.972  -34.436 1.00 15.77  ? 20  ASP B O   1 
ATOM   113  C CB  . ASP A 1 14  ? -27.150 -6.963  -35.054 1.00 15.68  ? 20  ASP B CB  1 
ATOM   114  C CG  . ASP A 1 14  ? -27.449 -7.208  -36.521 1.00 20.99  ? 20  ASP B CG  1 
ATOM   115  O OD1 . ASP A 1 14  ? -28.110 -6.329  -37.129 1.00 19.94  ? 20  ASP B OD1 1 
ATOM   116  O OD2 . ASP A 1 14  ? -27.112 -8.299  -37.026 1.00 20.77  ? 20  ASP B OD2 1 
ATOM   117  N N   A ARG A 1 15  ? -29.134 -3.915  -35.190 0.25 16.93  ? 21  ARG B N   1 
ATOM   118  N N   B ARG A 1 15  ? -29.162 -3.925  -35.183 0.25 17.42  ? 21  ARG B N   1 
ATOM   119  C CA  A ARG A 1 15  ? -30.463 -3.300  -35.488 0.25 18.96  ? 21  ARG B CA  1 
ATOM   120  C CA  B ARG A 1 15  ? -30.532 -3.363  -35.357 0.25 19.48  ? 21  ARG B CA  1 
ATOM   121  C C   A ARG A 1 15  ? -31.367 -4.259  -36.262 0.25 18.08  ? 21  ARG B C   1 
ATOM   122  C C   B ARG A 1 15  ? -31.388 -4.259  -36.265 0.25 18.50  ? 21  ARG B C   1 
ATOM   123  O O   A ARG A 1 15  ? -32.580 -4.262  -36.009 0.25 17.64  ? 21  ARG B O   1 
ATOM   124  O O   B ARG A 1 15  ? -32.611 -4.253  -36.079 0.25 17.90  ? 21  ARG B O   1 
ATOM   125  C CB  A ARG A 1 15  ? -30.296 -2.061  -36.382 0.25 20.02  ? 21  ARG B CB  1 
ATOM   126  C CB  B ARG A 1 15  ? -30.464 -1.949  -35.956 0.25 22.02  ? 21  ARG B CB  1 
ATOM   127  C CG  A ARG A 1 15  ? -29.345 -1.009  -35.835 0.25 22.66  ? 21  ARG B CG  1 
ATOM   128  C CG  B ARG A 1 15  ? -29.891 -0.882  -35.036 0.25 25.13  ? 21  ARG B CG  1 
ATOM   129  C CD  A ARG A 1 15  ? -29.349 0.294   -36.624 0.25 22.77  ? 21  ARG B CD  1 
ATOM   130  C CD  B ARG A 1 15  ? -28.468 -0.471  -35.398 0.25 29.02  ? 21  ARG B CD  1 
ATOM   131  N NE  A ARG A 1 15  ? -28.832 1.357   -35.778 0.25 22.28  ? 21  ARG B NE  1 
ATOM   132  N NE  B ARG A 1 15  ? -28.374 0.508   -36.487 0.25 31.26  ? 21  ARG B NE  1 
ATOM   133  C CZ  A ARG A 1 15  ? -29.548 1.916   -34.826 0.25 20.88  ? 21  ARG B CZ  1 
ATOM   134  C CZ  B ARG A 1 15  ? -27.965 0.247   -37.731 0.25 33.89  ? 21  ARG B CZ  1 
ATOM   135  N NH1 A ARG A 1 15  ? -30.798 1.535   -34.665 0.25 21.64  ? 21  ARG B NH1 1 
ATOM   136  N NH1 B ARG A 1 15  ? -27.587 -0.968  -38.084 0.25 36.59  ? 21  ARG B NH1 1 
ATOM   137  N NH2 A ARG A 1 15  ? -29.038 2.854   -34.057 0.25 22.48  ? 21  ARG B NH2 1 
ATOM   138  N NH2 B ARG A 1 15  ? -27.932 1.216   -38.625 0.25 35.85  ? 21  ARG B NH2 1 
ATOM   139  N N   . ASN A 1 16  ? -30.794 -5.003  -37.208 1.00 17.91  ? 22  ASN B N   1 
ATOM   140  C CA  . ASN A 1 16  ? -31.568 -5.840  -38.141 1.00 18.87  ? 22  ASN B CA  1 
ATOM   141  C C   . ASN A 1 16  ? -32.239 -7.015  -37.434 1.00 17.19  ? 22  ASN B C   1 
ATOM   142  O O   . ASN A 1 16  ? -33.252 -7.506  -37.937 1.00 17.13  ? 22  ASN B O   1 
ATOM   143  C CB  . ASN A 1 16  ? -30.700 -6.282  -39.321 1.00 22.29  ? 22  ASN B CB  1 
ATOM   144  C CG  . ASN A 1 16  ? -30.488 -5.139  -40.293 1.00 29.57  ? 22  ASN B CG  1 
ATOM   145  O OD1 . ASN A 1 16  ? -31.265 -4.176  -40.324 1.00 38.39  ? 22  ASN B OD1 1 
ATOM   146  N ND2 . ASN A 1 16  ? -29.445 -5.247  -41.093 1.00 42.34  ? 22  ASN B ND2 1 
ATOM   147  N N   . THR A 1 17  ? -31.721 -7.429  -36.254 1.00 14.86  ? 23  THR B N   1 
ATOM   148  C CA  . THR A 1 17  ? -32.265 -8.550  -35.467 1.00 14.80  ? 23  THR B CA  1 
ATOM   149  C C   . THR A 1 17  ? -33.322 -8.052  -34.474 1.00 13.41  ? 23  THR B C   1 
ATOM   150  O O   . THR A 1 17  ? -33.978 -8.888  -33.858 1.00 14.15  ? 23  THR B O   1 
ATOM   151  C CB  . THR A 1 17  ? -31.164 -9.342  -34.750 1.00 14.83  ? 23  THR B CB  1 
ATOM   152  O OG1 . THR A 1 17  ? -30.628 -8.523  -33.710 1.00 14.95  ? 23  THR B OG1 1 
ATOM   153  C CG2 . THR A 1 17  ? -30.126 -9.871  -35.729 1.00 15.63  ? 23  THR B CG2 1 
ATOM   154  N N   . ALA A 1 18  ? -33.407 -6.750  -34.251 1.00 13.60  ? 24  ALA B N   1 
ATOM   155  C CA  . ALA A 1 18  ? -34.224 -6.216  -33.131 1.00 12.62  ? 24  ALA B CA  1 
ATOM   156  C C   . ALA A 1 18  ? -35.710 -6.408  -33.400 1.00 14.09  ? 24  ALA B C   1 
ATOM   157  O O   . ALA A 1 18  ? -36.194 -6.137  -34.505 1.00 14.78  ? 24  ALA B O   1 
ATOM   158  C CB  . ALA A 1 18  ? -33.921 -4.760  -32.939 1.00 13.57  ? 24  ALA B CB  1 
ATOM   159  N N   . ASN A 1 19  ? -36.466 -6.722  -32.371 1.00 14.02  ? 25  ASN B N   1 
ATOM   160  C CA  . ASN A 1 19  ? -37.927 -6.527  -32.373 1.00 13.28  ? 25  ASN B CA  1 
ATOM   161  C C   . ASN A 1 19  ? -38.190 -5.089  -32.839 1.00 13.22  ? 25  ASN B C   1 
ATOM   162  O O   . ASN A 1 19  ? -37.490 -4.143  -32.486 1.00 13.29  ? 25  ASN B O   1 
ATOM   163  C CB  . ASN A 1 19  ? -38.447 -6.839  -30.984 1.00 14.02  ? 25  ASN B CB  1 
ATOM   164  C CG  . ASN A 1 19  ? -39.927 -6.606  -30.885 1.00 16.44  ? 25  ASN B CG  1 
ATOM   165  O OD1 . ASN A 1 19  ? -40.358 -5.486  -30.667 1.00 16.23  ? 25  ASN B OD1 1 
ATOM   166  N ND2 . ASN A 1 19  ? -40.666 -7.663  -31.061 1.00 21.46  ? 25  ASN B ND2 1 
ATOM   167  N N   . SER A 1 20  ? -39.268 -4.922  -33.581 1.00 13.67  ? 26  SER B N   1 
ATOM   168  C CA  . SER A 1 20  ? -39.619 -3.642  -34.229 1.00 14.73  ? 26  SER B CA  1 
ATOM   169  C C   . SER A 1 20  ? -40.017 -2.562  -33.237 1.00 14.80  ? 26  SER B C   1 
ATOM   170  O O   . SER A 1 20  ? -40.085 -1.411  -33.691 1.00 15.29  ? 26  SER B O   1 
ATOM   171  C CB  . SER A 1 20  ? -40.739 -3.873  -35.241 1.00 17.01  ? 26  SER B CB  1 
ATOM   172  O OG  . SER A 1 20  ? -41.891 -4.334  -34.552 1.00 20.00  ? 26  SER B OG  1 
ATOM   173  N N   . TRP A 1 21  ? -40.186 -2.836  -31.950 1.00 13.37  ? 27  TRP B N   1 
ATOM   174  C CA  . TRP A 1 21  ? -40.497 -1.801  -30.942 1.00 14.62  ? 27  TRP B CA  1 
ATOM   175  C C   . TRP A 1 21  ? -39.252 -1.315  -30.229 1.00 14.61  ? 27  TRP B C   1 
ATOM   176  O O   . TRP A 1 21  ? -39.358 -0.363  -29.448 1.00 15.12  ? 27  TRP B O   1 
ATOM   177  C CB  . TRP A 1 21  ? -41.496 -2.305  -29.945 1.00 15.15  ? 27  TRP B CB  1 
ATOM   178  C CG  . TRP A 1 21  ? -42.882 -2.397  -30.515 1.00 15.89  ? 27  TRP B CG  1 
ATOM   179  C CD1 . TRP A 1 21  ? -43.267 -2.940  -31.714 1.00 16.47  ? 27  TRP B CD1 1 
ATOM   180  C CD2 . TRP A 1 21  ? -44.080 -1.990  -29.849 1.00 18.39  ? 27  TRP B CD2 1 
ATOM   181  N NE1 . TRP A 1 21  ? -44.638 -2.847  -31.852 1.00 19.77  ? 27  TRP B NE1 1 
ATOM   182  C CE2 . TRP A 1 21  ? -45.156 -2.342  -30.696 1.00 17.29  ? 27  TRP B CE2 1 
ATOM   183  C CE3 . TRP A 1 21  ? -44.342 -1.416  -28.602 1.00 20.57  ? 27  TRP B CE3 1 
ATOM   184  C CZ2 . TRP A 1 21  ? -46.487 -2.037  -30.351 1.00 20.60  ? 27  TRP B CZ2 1 
ATOM   185  C CZ3 . TRP A 1 21  ? -45.658 -1.130  -28.261 1.00 22.32  ? 27  TRP B CZ3 1 
ATOM   186  C CH2 . TRP A 1 21  ? -46.704 -1.488  -29.106 1.00 22.84  ? 27  TRP B CH2 1 
ATOM   187  N N   . LEU A 1 22  ? -38.067 -1.897  -30.531 1.00 13.55  ? 28  LEU B N   1 
ATOM   188  C CA  . LEU A 1 22  ? -36.843 -1.497  -29.810 1.00 14.69  ? 28  LEU B CA  1 
ATOM   189  C C   . LEU A 1 22  ? -36.241 -0.234  -30.437 1.00 14.60  ? 28  LEU B C   1 
ATOM   190  O O   . LEU A 1 22  ? -36.243 -0.072  -31.668 1.00 14.87  ? 28  LEU B O   1 
ATOM   191  C CB  . LEU A 1 22  ? -35.826 -2.640  -29.810 1.00 13.18  ? 28  LEU B CB  1 
ATOM   192  C CG  . LEU A 1 22  ? -36.269 -3.907  -29.078 1.00 14.90  ? 28  LEU B CG  1 
ATOM   193  C CD1 . LEU A 1 22  ? -35.168 -4.949  -29.047 1.00 14.57  ? 28  LEU B CD1 1 
ATOM   194  C CD2 . LEU A 1 22  ? -36.683 -3.641  -27.660 1.00 15.80  ? 28  LEU B CD2 1 
ATOM   195  N N   . ILE A 1 23  ? -35.584 0.513   -29.582 1.00 14.51  ? 29  ILE B N   1 
ATOM   196  C CA  . ILE A 1 23  ? -34.812 1.725   -29.955 1.00 14.57  ? 29  ILE B CA  1 
ATOM   197  C C   . ILE A 1 23  ? -33.375 1.479   -29.516 1.00 15.27  ? 29  ILE B C   1 
ATOM   198  O O   . ILE A 1 23  ? -33.104 1.393   -28.302 1.00 16.03  ? 29  ILE B O   1 
ATOM   199  C CB  . ILE A 1 23  ? -35.373 2.991   -29.334 1.00 15.95  ? 29  ILE B CB  1 
ATOM   200  C CG1 . ILE A 1 23  ? -36.863 3.235   -29.688 1.00 16.57  ? 29  ILE B CG1 1 
ATOM   201  C CG2 . ILE A 1 23  ? -34.491 4.188   -29.739 1.00 17.37  ? 29  ILE B CG2 1 
ATOM   202  C CD1 . ILE A 1 23  ? -37.492 4.320   -28.937 1.00 18.84  ? 29  ILE B CD1 1 
ATOM   203  N N   . ILE A 1 24  ? -32.521 1.380   -30.511 1.00 17.40  ? 30  ILE B N   1 
ATOM   204  C CA  . ILE A 1 24  ? -31.066 1.181   -30.317 1.00 17.89  ? 30  ILE B CA  1 
ATOM   205  C C   . ILE A 1 24  ? -30.392 2.529   -30.491 1.00 19.01  ? 30  ILE B C   1 
ATOM   206  O O   . ILE A 1 24  ? -30.652 3.240   -31.517 1.00 19.68  ? 30  ILE B O   1 
ATOM   207  C CB  . ILE A 1 24  ? -30.537 0.111   -31.257 1.00 18.72  ? 30  ILE B CB  1 
ATOM   208  C CG1 . ILE A 1 24  ? -31.057 -1.264  -30.862 1.00 20.55  ? 30  ILE B CG1 1 
ATOM   209  C CG2 . ILE A 1 24  ? -29.014 0.100   -31.248 1.00 18.31  ? 30  ILE B CG2 1 
ATOM   210  C CD1 . ILE A 1 24  ? -30.818 -2.258  -31.828 1.00 23.32  ? 30  ILE B CD1 1 
ATOM   211  N N   . SER A 1 25  ? -29.487 2.871   -29.599 1.00 18.28  ? 31  SER B N   1 
ATOM   212  C CA  . SER A 1 25  ? -28.791 4.168   -29.635 1.00 18.33  ? 31  SER B CA  1 
ATOM   213  C C   . SER A 1 25  ? -27.867 4.257   -30.869 1.00 17.11  ? 31  SER B C   1 
ATOM   214  O O   . SER A 1 25  ? -27.484 3.256   -31.462 1.00 18.54  ? 31  SER B O   1 
ATOM   215  C CB  . SER A 1 25  ? -28.043 4.342   -28.359 1.00 19.59  ? 31  SER B CB  1 
ATOM   216  O OG  . SER A 1 25  ? -27.065 3.328   -28.255 1.00 19.04  ? 31  SER B OG  1 
ATOM   217  N N   . LYS A 1 26  ? -27.498 5.502   -31.221 1.00 21.02  ? 32  LYS B N   1 
ATOM   218  C CA  . LYS A 1 26  ? -26.618 5.763   -32.390 1.00 21.83  ? 32  LYS B CA  1 
ATOM   219  C C   . LYS A 1 26  ? -25.323 4.949   -32.283 1.00 19.58  ? 32  LYS B C   1 
ATOM   220  O O   . LYS A 1 26  ? -24.875 4.450   -33.319 1.00 22.88  ? 32  LYS B O   1 
ATOM   221  C CB  . LYS A 1 26  ? -26.295 7.260   -32.441 1.00 25.00  ? 32  LYS B CB  1 
ATOM   222  C CG  . LYS A 1 26  ? -25.364 7.631   -33.572 1.00 30.06  ? 32  LYS B CG  1 
ATOM   223  C CD  . LYS A 1 26  ? -25.461 9.097   -33.870 1.00 30.95  ? 32  LYS B CD  1 
ATOM   224  C CE  . LYS A 1 26  ? -25.196 9.931   -32.645 1.00 35.86  ? 32  LYS B CE  1 
ATOM   225  N NZ  . LYS A 1 26  ? -25.314 11.353  -33.007 1.00 40.87  ? 32  LYS B NZ  1 
ATOM   226  N N   . ASP A 1 27  ? -24.748 4.855   -31.079 1.00 20.82  ? 33  ASP B N   1 
ATOM   227  C CA  . ASP A 1 27  ? -23.459 4.124   -30.872 1.00 20.13  ? 33  ASP B CA  1 
ATOM   228  C C   . ASP A 1 27  ? -23.668 2.598   -30.834 1.00 19.04  ? 33  ASP B C   1 
ATOM   229  O O   . ASP A 1 27  ? -22.673 1.860   -30.722 1.00 18.66  ? 33  ASP B O   1 
ATOM   230  C CB  . ASP A 1 27  ? -22.732 4.632   -29.629 1.00 20.86  ? 33  ASP B CB  1 
ATOM   231  C CG  . ASP A 1 27  ? -23.404 4.375   -28.300 1.00 21.44  ? 33  ASP B CG  1 
ATOM   232  O OD1 . ASP A 1 27  ? -24.482 3.716   -28.274 1.00 22.06  ? 33  ASP B OD1 1 
ATOM   233  O OD2 . ASP A 1 27  ? -22.822 4.818   -27.291 1.00 25.32  ? 33  ASP B OD2 1 
ATOM   234  N N   . ARG A 1 28  ? -24.903 2.133   -30.935 1.00 17.22  ? 34  ARG B N   1 
ATOM   235  C CA  . ARG A 1 28  ? -25.250 0.691   -30.928 1.00 16.64  ? 34  ARG B CA  1 
ATOM   236  C C   . ARG A 1 28  ? -24.781 0.036   -29.608 1.00 13.72  ? 34  ARG B C   1 
ATOM   237  O O   . ARG A 1 28  ? -24.644 -1.210  -29.594 1.00 15.15  ? 34  ARG B O   1 
ATOM   238  C CB  . ARG A 1 28  ? -24.718 0.021   -32.193 1.00 20.57  ? 34  ARG B CB  1 
ATOM   239  C CG  . ARG A 1 28  ? -25.353 0.622   -33.444 1.00 24.62  ? 34  ARG B CG  1 
ATOM   240  C CD  . ARG A 1 28  ? -24.971 -0.005  -34.745 1.00 31.97  ? 34  ARG B CD  1 
ATOM   241  N NE  . ARG A 1 28  ? -23.544 -0.078  -34.921 1.00 40.56  ? 34  ARG B NE  1 
ATOM   242  C CZ  . ARG A 1 28  ? -22.803 -1.180  -34.771 1.00 55.00  ? 34  ARG B CZ  1 
ATOM   243  N NH1 . ARG A 1 28  ? -23.361 -2.358  -34.474 1.00 54.52  ? 34  ARG B NH1 1 
ATOM   244  N NH2 . ARG A 1 28  ? -21.493 -1.095  -34.957 1.00 57.80  ? 34  ARG B NH2 1 
ATOM   245  N N   . ARG A 1 29  ? -24.773 0.771   -28.523 1.00 14.48  ? 35  ARG B N   1 
ATOM   246  C CA  . ARG A 1 29  ? -24.385 0.253   -27.190 1.00 16.32  ? 35  ARG B CA  1 
ATOM   247  C C   . ARG A 1 29  ? -25.529 0.259   -26.185 1.00 15.82  ? 35  ARG B C   1 
ATOM   248  O O   . ARG A 1 29  ? -25.344 -0.307  -25.087 1.00 17.04  ? 35  ARG B O   1 
ATOM   249  C CB  . ARG A 1 29  ? -23.200 1.026   -26.604 1.00 16.84  ? 35  ARG B CB  1 
ATOM   250  C CG  . ARG A 1 29  ? -21.977 0.910   -27.499 1.00 19.24  ? 35  ARG B CG  1 
ATOM   251  C CD  . ARG A 1 29  ? -21.100 -0.281  -27.270 1.00 21.38  ? 35  ARG B CD  1 
ATOM   252  N NE  . ARG A 1 29  ? -20.314 -0.081  -26.046 1.00 22.95  ? 35  ARG B NE  1 
ATOM   253  C CZ  . ARG A 1 29  ? -19.583 -1.032  -25.461 1.00 22.30  ? 35  ARG B CZ  1 
ATOM   254  N NH1 . ARG A 1 29  ? -19.527 -2.229  -25.995 1.00 22.67  ? 35  ARG B NH1 1 
ATOM   255  N NH2 . ARG A 1 29  ? -18.930 -0.773  -24.346 1.00 21.73  ? 35  ARG B NH2 1 
ATOM   256  N N   . GLN A 1 30  ? -26.696 0.830   -26.489 1.00 14.55  ? 36  GLN B N   1 
ATOM   257  C CA  . GLN A 1 30  ? -27.872 0.863   -25.593 1.00 14.74  ? 36  GLN B CA  1 
ATOM   258  C C   . GLN A 1 30  ? -29.133 0.493   -26.356 1.00 14.49  ? 36  GLN B C   1 
ATOM   259  O O   . GLN A 1 30  ? -29.215 0.716   -27.587 1.00 15.16  ? 36  GLN B O   1 
ATOM   260  C CB  . GLN A 1 30  ? -28.100 2.255   -25.006 1.00 17.64  ? 36  GLN B CB  1 
ATOM   261  C CG  . GLN A 1 30  ? -26.866 2.857   -24.411 1.00 21.60  ? 36  GLN B CG  1 
ATOM   262  C CD  . GLN A 1 30  ? -27.229 4.090   -23.613 1.00 25.15  ? 36  GLN B CD  1 
ATOM   263  O OE1 . GLN A 1 30  ? -28.380 4.313   -23.217 1.00 27.02  ? 36  GLN B OE1 1 
ATOM   264  N NE2 . GLN A 1 30  ? -26.218 4.880   -23.350 1.00 30.32  ? 36  GLN B NE2 1 
ATOM   265  N N   . VAL A 1 31  ? -30.047 -0.157  -25.656 1.00 13.46  ? 37  VAL B N   1 
ATOM   266  C CA  . VAL A 1 31  ? -31.344 -0.540  -26.269 1.00 13.94  ? 37  VAL B CA  1 
ATOM   267  C C   . VAL A 1 31  ? -32.413 -0.339  -25.211 1.00 14.31  ? 37  VAL B C   1 
ATOM   268  O O   . VAL A 1 31  ? -32.220 -0.720  -24.047 1.00 13.52  ? 37  VAL B O   1 
ATOM   269  C CB  . VAL A 1 31  ? -31.306 -1.952  -26.869 1.00 13.23  ? 37  VAL B CB  1 
ATOM   270  C CG1 . VAL A 1 31  ? -30.884 -3.036  -25.858 1.00 13.58  ? 37  VAL B CG1 1 
ATOM   271  C CG2 . VAL A 1 31  ? -32.655 -2.318  -27.494 1.00 15.03  ? 37  VAL B CG2 1 
ATOM   272  N N   . ARG A 1 32  ? -33.571 0.122   -25.617 1.00 14.30  ? 38  ARG B N   1 
ATOM   273  C CA  . ARG A 1 32  ? -34.748 0.216   -24.726 1.00 15.09  ? 38  ARG B CA  1 
ATOM   274  C C   . ARG A 1 32  ? -36.016 -0.085  -25.528 1.00 15.18  ? 38  ARG B C   1 
ATOM   275  O O   . ARG A 1 32  ? -36.029 0.002   -26.784 1.00 13.60  ? 38  ARG B O   1 
ATOM   276  C CB  . ARG A 1 32  ? -34.853 1.593   -24.067 1.00 16.12  ? 38  ARG B CB  1 
ATOM   277  C CG  . ARG A 1 32  ? -35.120 2.721   -25.052 1.00 19.19  ? 38  ARG B CG  1 
ATOM   278  C CD  . ARG A 1 32  ? -35.039 4.025   -24.275 1.00 21.64  ? 38  ARG B CD  1 
ATOM   279  N NE  . ARG A 1 32  ? -35.324 5.137   -25.168 1.00 26.25  ? 38  ARG B NE  1 
ATOM   280  C CZ  . ARG A 1 32  ? -36.513 5.646   -25.441 1.00 23.00  ? 38  ARG B CZ  1 
ATOM   281  N NH1 . ARG A 1 32  ? -37.626 5.133   -24.956 1.00 27.74  ? 38  ARG B NH1 1 
ATOM   282  N NH2 . ARG A 1 32  ? -36.560 6.686   -26.292 1.00 28.69  ? 38  ARG B NH2 1 
ATOM   283  N N   A MET A 1 33  ? -37.073 -0.387  -24.781 0.25 14.87  ? 39  MET B N   1 
ATOM   284  N N   B MET A 1 33  ? -37.093 -0.451  -24.839 0.25 16.06  ? 39  MET B N   1 
ATOM   285  C CA  A MET A 1 33  ? -38.447 -0.600  -25.298 0.25 16.34  ? 39  MET B CA  1 
ATOM   286  C CA  B MET A 1 33  ? -38.381 -0.749  -25.523 0.25 18.13  ? 39  MET B CA  1 
ATOM   287  C C   A MET A 1 33  ? -39.032 0.762   -25.687 0.25 16.11  ? 39  MET B C   1 
ATOM   288  C C   B MET A 1 33  ? -39.171 0.553   -25.668 0.25 17.41  ? 39  MET B C   1 
ATOM   289  O O   A MET A 1 33  ? -38.985 1.714   -24.880 0.25 16.27  ? 39  MET B O   1 
ATOM   290  O O   B MET A 1 33  ? -39.472 1.190   -24.622 0.25 17.06  ? 39  MET B O   1 
ATOM   291  C CB  A MET A 1 33  ? -39.293 -1.283  -24.218 0.25 16.80  ? 39  MET B CB  1 
ATOM   292  C CB  B MET A 1 33  ? -39.229 -1.785  -24.781 0.25 20.31  ? 39  MET B CB  1 
ATOM   293  C CG  A MET A 1 33  ? -40.696 -1.712  -24.677 0.25 18.04  ? 39  MET B CG  1 
ATOM   294  C CG  B MET A 1 33  ? -40.604 -1.987  -25.456 0.25 24.02  ? 39  MET B CG  1 
ATOM   295  S SD  A MET A 1 33  ? -40.650 -2.683  -26.226 0.25 19.02  ? 39  MET B SD  1 
ATOM   296  S SD  B MET A 1 33  ? -41.321 -3.613  -25.140 0.25 27.79  ? 39  MET B SD  1 
ATOM   297  C CE  A MET A 1 33  ? -42.183 -3.608  -26.142 0.25 19.66  ? 39  MET B CE  1 
ATOM   298  C CE  B MET A 1 33  ? -42.503 -3.704  -26.486 0.25 27.38  ? 39  MET B CE  1 
ATOM   299  N N   . GLY A 1 34  ? -39.485 0.883   -26.926 1.00 16.93  ? 40  GLY B N   1 
ATOM   300  C CA  . GLY A 1 34  ? -40.294 2.046   -27.337 1.00 18.68  ? 40  GLY B CA  1 
ATOM   301  C C   . GLY A 1 34  ? -41.753 1.881   -26.931 1.00 19.50  ? 40  GLY B C   1 
ATOM   302  O O   . GLY A 1 34  ? -42.173 0.780   -26.499 1.00 19.98  ? 40  GLY B O   1 
ATOM   303  N N   . ASP A 1 35  ? -42.507 2.998   -27.005 1.00 23.82  ? 41  ASP B N   1 
ATOM   304  C CA  . ASP A 1 35  ? -43.945 2.974   -26.596 1.00 28.27  ? 41  ASP B CA  1 
ATOM   305  C C   . ASP A 1 35  ? -44.793 2.560   -27.823 1.00 27.51  ? 41  ASP B C   1 
ATOM   306  O O   . ASP A 1 35  ? -46.017 2.362   -27.649 1.00 27.67  ? 41  ASP B O   1 
ATOM   307  C CB  . ASP A 1 35  ? -44.352 4.270   -25.860 1.00 34.23  ? 41  ASP B CB  1 
ATOM   308  C CG  . ASP A 1 35  ? -43.985 4.329   -24.360 1.00 46.94  ? 41  ASP B CG  1 
ATOM   309  O OD1 . ASP A 1 35  ? -43.901 3.249   -23.704 1.00 49.90  ? 41  ASP B OD1 1 
ATOM   310  O OD2 . ASP A 1 35  ? -43.799 5.459   -23.815 1.00 43.41  ? 41  ASP B OD2 1 
ATOM   311  N N   . THR A 1 36  ? -44.171 2.271   -28.969 1.00 21.50  ? 42  THR B N   1 
ATOM   312  C CA  . THR A 1 36  ? -44.881 1.939   -30.245 1.00 21.13  ? 42  THR B CA  1 
ATOM   313  C C   . THR A 1 36  ? -43.944 1.227   -31.227 1.00 18.27  ? 42  THR B C   1 
ATOM   314  O O   . THR A 1 36  ? -42.648 1.207   -31.032 1.00 16.21  ? 42  THR B O   1 
ATOM   315  C CB  . THR A 1 36  ? -45.441 3.256   -30.797 1.00 21.81  ? 42  THR B CB  1 
ATOM   316  O OG1 . THR A 1 36  ? -46.325 2.993   -31.865 1.00 23.26  ? 42  THR B OG1 1 
ATOM   317  C CG2 . THR A 1 36  ? -44.356 4.148   -31.352 1.00 24.26  ? 42  THR B CG2 1 
ATOM   318  N N   . HIS A 1 37  ? -44.448 0.749   -32.370 1.00 18.55  ? 43  HIS B N   1 
ATOM   319  C CA  . HIS A 1 37  ? -43.613 0.315   -33.531 1.00 18.45  ? 43  HIS B CA  1 
ATOM   320  C C   . HIS A 1 37  ? -42.646 1.421   -33.969 1.00 18.55  ? 43  HIS B C   1 
ATOM   321  O O   . HIS A 1 37  ? -43.109 2.589   -34.175 1.00 20.22  ? 43  HIS B O   1 
ATOM   322  C CB  . HIS A 1 37  ? -44.550 -0.176  -34.659 1.00 17.39  ? 43  HIS B CB  1 
ATOM   323  C CG  . HIS A 1 37  ? -43.926 -0.840  -35.842 1.00 16.37  ? 43  HIS B CG  1 
ATOM   324  N ND1 . HIS A 1 37  ? -43.160 -0.180  -36.778 1.00 16.65  ? 43  HIS B ND1 1 
ATOM   325  C CD2 . HIS A 1 37  ? -44.029 -2.119  -36.276 1.00 15.71  ? 43  HIS B CD2 1 
ATOM   326  C CE1 . HIS A 1 37  ? -42.804 -1.018  -37.719 1.00 15.95  ? 43  HIS B CE1 1 
ATOM   327  N NE2 . HIS A 1 37  ? -43.323 -2.251  -37.438 1.00 16.78  ? 43  HIS B NE2 1 
ATOM   328  N N   . GLN A 1 38  ? -41.361 1.094   -34.227 1.00 16.56  ? 44  GLN B N   1 
ATOM   329  C CA  . GLN A 1 38  ? -40.308 2.097   -34.505 1.00 17.25  ? 44  GLN B CA  1 
ATOM   330  C C   . GLN A 1 38  ? -40.124 2.382   -36.009 1.00 18.79  ? 44  GLN B C   1 
ATOM   331  O O   . GLN A 1 38  ? -39.100 2.981   -36.400 1.00 19.24  ? 44  GLN B O   1 
ATOM   332  C CB  . GLN A 1 38  ? -39.017 1.699   -33.791 1.00 16.50  ? 44  GLN B CB  1 
ATOM   333  C CG  . GLN A 1 38  ? -39.190 1.779   -32.302 1.00 15.90  ? 44  GLN B CG  1 
ATOM   334  C CD  . GLN A 1 38  ? -39.668 3.117   -31.802 1.00 16.54  ? 44  GLN B CD  1 
ATOM   335  O OE1 . GLN A 1 38  ? -40.627 3.239   -31.031 1.00 19.32  ? 44  GLN B OE1 1 
ATOM   336  N NE2 . GLN A 1 38  ? -39.019 4.173   -32.255 1.00 15.98  ? 44  GLN B NE2 1 
ATOM   337  N N   . ASN A 1 39  ? -41.102 2.026   -36.838 1.00 16.75  ? 45  ASN B N   1 
ATOM   338  C CA  . ASN A 1 39  ? -41.191 2.474   -38.258 1.00 15.98  ? 45  ASN B CA  1 
ATOM   339  C C   . ASN A 1 39  ? -40.098 1.858   -39.111 1.00 17.53  ? 45  ASN B C   1 
ATOM   340  O O   . ASN A 1 39  ? -39.646 2.457   -40.103 1.00 20.09  ? 45  ASN B O   1 
ATOM   341  C CB  . ASN A 1 39  ? -41.312 4.015   -38.353 1.00 16.13  ? 45  ASN B CB  1 
ATOM   342  C CG  . ASN A 1 39  ? -41.917 4.438   -39.682 1.00 17.24  ? 45  ASN B CG  1 
ATOM   343  O OD1 . ASN A 1 39  ? -42.796 3.767   -40.202 1.00 16.38  ? 45  ASN B OD1 1 
ATOM   344  N ND2 . ASN A 1 39  ? -41.456 5.561   -40.252 1.00 15.60  ? 45  ASN B ND2 1 
ATOM   345  N N   . VAL A 1 40  ? -39.770 0.589   -38.832 1.00 18.55  ? 46  VAL B N   1 
ATOM   346  C CA  . VAL A 1 40  ? -38.806 -0.236  -39.611 1.00 20.20  ? 46  VAL B CA  1 
ATOM   347  C C   . VAL A 1 40  ? -39.587 -1.271  -40.434 1.00 18.25  ? 46  VAL B C   1 
ATOM   348  O O   . VAL A 1 40  ? -40.634 -1.692  -39.983 1.00 19.63  ? 46  VAL B O   1 
ATOM   349  C CB  . VAL A 1 40  ? -37.795 -0.939  -38.680 1.00 20.67  ? 46  VAL B CB  1 
ATOM   350  C CG1 . VAL A 1 40  ? -36.875 0.074   -38.011 1.00 24.28  ? 46  VAL B CG1 1 
ATOM   351  C CG2 . VAL A 1 40  ? -38.458 -1.827  -37.631 1.00 22.10  ? 46  VAL B CG2 1 
ATOM   352  N N   . SER A 1 41  ? -39.028 -1.708  -41.555 1.00 20.31  ? 47  SER B N   1 
ATOM   353  C CA  . SER A 1 41  ? -39.551 -2.870  -42.303 1.00 21.29  ? 47  SER B CA  1 
ATOM   354  C C   . SER A 1 41  ? -39.364 -4.184  -41.525 1.00 20.59  ? 47  SER B C   1 
ATOM   355  O O   . SER A 1 41  ? -38.410 -4.311  -40.738 1.00 19.04  ? 47  SER B O   1 
ATOM   356  C CB  . SER A 1 41  ? -38.959 -2.944  -43.689 1.00 23.69  ? 47  SER B CB  1 
ATOM   357  O OG  . SER A 1 41  ? -37.561 -3.151  -43.625 1.00 26.06  ? 47  SER B OG  1 
ATOM   358  N N   . ASP A 1 42  ? -40.229 -5.168  -41.749 1.00 20.21  ? 48  ASP B N   1 
ATOM   359  C CA  . ASP A 1 42  ? -40.084 -6.524  -41.183 1.00 19.37  ? 48  ASP B CA  1 
ATOM   360  C C   . ASP A 1 42  ? -38.989 -7.224  -41.980 1.00 21.19  ? 48  ASP B C   1 
ATOM   361  O O   . ASP A 1 42  ? -38.727 -6.869  -43.152 1.00 20.90  ? 48  ASP B O   1 
ATOM   362  C CB  . ASP A 1 42  ? -41.390 -7.321  -41.150 1.00 21.75  ? 48  ASP B CB  1 
ATOM   363  C CG  . ASP A 1 42  ? -41.468 -8.370  -40.020 1.00 24.97  ? 48  ASP B CG  1 
ATOM   364  O OD1 . ASP A 1 42  ? -40.467 -8.523  -39.257 1.00 19.30  ? 48  ASP B OD1 1 
ATOM   365  O OD2 . ASP A 1 42  ? -42.579 -8.969  -39.792 1.00 30.55  ? 48  ASP B OD2 1 
ATOM   366  N N   . ASN A 1 43  ? -38.344 -8.205  -41.348 1.00 18.80  ? 49  ASN B N   1 
ATOM   367  C CA  . ASN A 1 43  ? -37.359 -9.089  -42.000 1.00 19.94  ? 49  ASN B CA  1 
ATOM   368  C C   . ASN A 1 43  ? -37.319 -10.402 -41.214 1.00 19.61  ? 49  ASN B C   1 
ATOM   369  O O   . ASN A 1 43  ? -37.837 -10.481 -40.063 1.00 18.42  ? 49  ASN B O   1 
ATOM   370  C CB  . ASN A 1 43  ? -36.014 -8.426  -42.214 1.00 18.82  ? 49  ASN B CB  1 
ATOM   371  C CG  . ASN A 1 43  ? -35.243 -8.231  -40.928 1.00 18.53  ? 49  ASN B CG  1 
ATOM   372  O OD1 . ASN A 1 43  ? -35.029 -9.200  -40.205 1.00 22.00  ? 49  ASN B OD1 1 
ATOM   373  N ND2 . ASN A 1 43  ? -34.896 -7.024  -40.612 1.00 18.43  ? 49  ASN B ND2 1 
ATOM   374  N N   . LYS A 1 44  ? -36.713 -11.410 -41.803 1.00 20.05  ? 50  LYS B N   1 
ATOM   375  C CA  . LYS A 1 44  ? -36.746 -12.775 -41.237 1.00 20.96  ? 50  LYS B CA  1 
ATOM   376  C C   . LYS A 1 44  ? -35.851 -12.858 -39.982 1.00 18.47  ? 50  LYS B C   1 
ATOM   377  O O   . LYS A 1 44  ? -36.055 -13.826 -39.205 1.00 20.00  ? 50  LYS B O   1 
ATOM   378  C CB  . LYS A 1 44  ? -36.252 -13.774 -42.302 1.00 26.41  ? 50  LYS B CB  1 
ATOM   379  C CG  . LYS A 1 44  ? -34.796 -13.594 -42.681 1.00 32.78  ? 50  LYS B CG  1 
ATOM   380  C CD  . LYS A 1 44  ? -34.374 -14.240 -43.995 1.00 43.53  ? 50  LYS B CD  1 
ATOM   381  C CE  . LYS A 1 44  ? -32.894 -14.578 -44.009 1.00 48.55  ? 50  LYS B CE  1 
ATOM   382  N NZ  . LYS A 1 44  ? -32.648 -15.832 -44.761 1.00 54.53  ? 50  LYS B NZ  1 
ATOM   383  N N   . GLU A 1 45  ? -34.921 -11.925 -39.798 1.00 17.73  ? 51  GLU B N   1 
ATOM   384  C CA  . GLU A 1 45  ? -34.012 -11.935 -38.610 1.00 17.92  ? 51  GLU B CA  1 
ATOM   385  C C   . GLU A 1 45  ? -34.722 -11.387 -37.360 1.00 17.30  ? 51  GLU B C   1 
ATOM   386  O O   . GLU A 1 45  ? -34.283 -11.708 -36.227 1.00 18.37  ? 51  GLU B O   1 
ATOM   387  C CB  . GLU A 1 45  ? -32.785 -11.083 -38.878 1.00 21.58  ? 51  GLU B CB  1 
ATOM   388  C CG  . GLU A 1 45  ? -31.942 -11.504 -40.072 1.00 26.31  ? 51  GLU B CG  1 
ATOM   389  C CD  . GLU A 1 45  ? -30.757 -10.552 -40.244 1.00 36.26  ? 51  GLU B CD  1 
ATOM   390  O OE1 . GLU A 1 45  ? -30.735 -9.800  -41.259 1.00 46.20  ? 51  GLU B OE1 1 
ATOM   391  O OE2 . GLU A 1 45  ? -29.894 -10.487 -39.344 1.00 41.60  ? 51  GLU B OE2 1 
ATOM   392  N N   . ARG A 1 46  ? -35.758 -10.569 -37.474 1.00 16.09  ? 52  ARG B N   1 
ATOM   393  C CA  . ARG A 1 46  ? -36.297 -9.853  -36.282 1.00 15.62  ? 52  ARG B CA  1 
ATOM   394  C C   . ARG A 1 46  ? -37.029 -10.791 -35.333 1.00 15.51  ? 52  ARG B C   1 
ATOM   395  O O   . ARG A 1 46  ? -37.895 -11.603 -35.720 1.00 16.48  ? 52  ARG B O   1 
ATOM   396  C CB  . ARG A 1 46  ? -37.276 -8.738  -36.685 1.00 15.19  ? 52  ARG B CB  1 
ATOM   397  C CG  . ARG A 1 46  ? -36.678 -7.603  -37.486 1.00 16.25  ? 52  ARG B CG  1 
ATOM   398  C CD  . ARG A 1 46  ? -37.638 -6.390  -37.423 1.00 16.11  ? 52  ARG B CD  1 
ATOM   399  N NE  . ARG A 1 46  ? -37.108 -5.371  -38.298 1.00 17.42  ? 52  ARG B NE  1 
ATOM   400  C CZ  . ARG A 1 46  ? -36.002 -4.671  -38.080 1.00 17.16  ? 52  ARG B CZ  1 
ATOM   401  N NH1 . ARG A 1 46  ? -35.400 -4.686  -36.890 1.00 15.79  ? 52  ARG B NH1 1 
ATOM   402  N NH2 . ARG A 1 46  ? -35.539 -3.838  -39.008 1.00 19.97  ? 52  ARG B NH2 1 
ATOM   403  N N   . PHE A 1 47  ? -36.717 -10.710 -34.045 1.00 14.22  ? 53  PHE B N   1 
ATOM   404  C CA  . PHE A 1 47  ? -37.519 -11.420 -33.033 1.00 13.34  ? 53  PHE B CA  1 
ATOM   405  C C   . PHE A 1 47  ? -38.958 -10.842 -33.018 1.00 15.33  ? 53  PHE B C   1 
ATOM   406  O O   . PHE A 1 47  ? -39.097 -9.619  -32.769 1.00 16.19  ? 53  PHE B O   1 
ATOM   407  C CB  . PHE A 1 47  ? -36.925 -11.337 -31.637 1.00 13.74  ? 53  PHE B CB  1 
ATOM   408  C CG  . PHE A 1 47  ? -35.675 -12.167 -31.503 1.00 12.77  ? 53  PHE B CG  1 
ATOM   409  C CD1 . PHE A 1 47  ? -35.786 -13.522 -31.251 1.00 13.56  ? 53  PHE B CD1 1 
ATOM   410  C CD2 . PHE A 1 47  ? -34.400 -11.613 -31.580 1.00 14.35  ? 53  PHE B CD2 1 
ATOM   411  C CE1 . PHE A 1 47  ? -34.657 -14.319 -31.121 1.00 14.26  ? 53  PHE B CE1 1 
ATOM   412  C CE2 . PHE A 1 47  ? -33.274 -12.422 -31.429 1.00 14.08  ? 53  PHE B CE2 1 
ATOM   413  C CZ  . PHE A 1 47  ? -33.412 -13.785 -31.219 1.00 13.34  ? 53  PHE B CZ  1 
ATOM   414  N N   . SER A 1 48  ? -39.983 -11.630 -33.307 1.00 17.04  ? 54  SER B N   1 
ATOM   415  C CA  . SER A 1 48  ? -41.370 -11.106 -33.451 1.00 18.45  ? 54  SER B CA  1 
ATOM   416  C C   . SER A 1 48  ? -42.108 -11.020 -32.120 1.00 17.92  ? 54  SER B C   1 
ATOM   417  O O   . SER A 1 48  ? -42.884 -10.059 -31.961 1.00 21.25  ? 54  SER B O   1 
ATOM   418  C CB  . SER A 1 48  ? -42.131 -11.965 -34.450 1.00 18.30  ? 54  SER B CB  1 
ATOM   419  O OG  . SER A 1 48  ? -42.233 -13.297 -34.020 1.00 17.88  ? 54  SER B OG  1 
ATOM   420  N N   . ASN A 1 49  ? -41.962 -11.956 -31.209 1.00 16.20  ? 55  ASN B N   1 
ATOM   421  C CA  . ASN A 1 49  ? -42.892 -12.105 -30.061 1.00 17.17  ? 55  ASN B CA  1 
ATOM   422  C C   . ASN A 1 49  ? -42.401 -11.387 -28.809 1.00 16.37  ? 55  ASN B C   1 
ATOM   423  O O   . ASN A 1 49  ? -43.185 -11.245 -27.833 1.00 18.98  ? 55  ASN B O   1 
ATOM   424  C CB  . ASN A 1 49  ? -43.184 -13.553 -29.720 1.00 17.75  ? 55  ASN B CB  1 
ATOM   425  C CG  . ASN A 1 49  ? -44.087 -14.254 -30.735 1.00 22.44  ? 55  ASN B CG  1 
ATOM   426  O OD1 . ASN A 1 49  ? -43.934 -14.088 -31.937 1.00 23.62  ? 55  ASN B OD1 1 
ATOM   427  N ND2 . ASN A 1 49  ? -45.002 -15.081 -30.229 1.00 26.42  ? 55  ASN B ND2 1 
ATOM   428  N N   . TYR A 1 50  ? -41.091 -11.123 -28.739 1.00 14.12  ? 56  TYR B N   1 
ATOM   429  C CA  . TYR A 1 50  ? -40.481 -10.631 -27.480 1.00 14.52  ? 56  TYR B CA  1 
ATOM   430  C C   . TYR A 1 50  ? -39.545 -9.463  -27.794 1.00 13.32  ? 56  TYR B C   1 
ATOM   431  O O   . TYR A 1 50  ? -38.995 -9.385  -28.901 1.00 14.54  ? 56  TYR B O   1 
ATOM   432  C CB  . TYR A 1 50  ? -39.670 -11.751 -26.828 1.00 14.66  ? 56  TYR B CB  1 
ATOM   433  C CG  . TYR A 1 50  ? -40.371 -13.085 -26.737 1.00 15.40  ? 56  TYR B CG  1 
ATOM   434  C CD1 . TYR A 1 50  ? -41.402 -13.274 -25.826 1.00 17.79  ? 56  TYR B CD1 1 
ATOM   435  C CD2 . TYR A 1 50  ? -40.064 -14.145 -27.578 1.00 16.89  ? 56  TYR B CD2 1 
ATOM   436  C CE1 . TYR A 1 50  ? -42.072 -14.495 -25.718 1.00 19.52  ? 56  TYR B CE1 1 
ATOM   437  C CE2 . TYR A 1 50  ? -40.757 -15.347 -27.524 1.00 17.30  ? 56  TYR B CE2 1 
ATOM   438  C CZ  . TYR A 1 50  ? -41.753 -15.531 -26.575 1.00 18.07  ? 56  TYR B CZ  1 
ATOM   439  O OH  . TYR A 1 50  ? -42.388 -16.752 -26.479 1.00 19.44  ? 56  TYR B OH  1 
ATOM   440  N N   . PRO A 1 51  ? -39.219 -8.609  -26.800 1.00 12.73  ? 57  PRO B N   1 
ATOM   441  C CA  . PRO A 1 51  ? -38.348 -7.440  -27.020 1.00 13.07  ? 57  PRO B CA  1 
ATOM   442  C C   . PRO A 1 51  ? -36.838 -7.769  -27.009 1.00 12.21  ? 57  PRO B C   1 
ATOM   443  O O   . PRO A 1 51  ? -36.076 -7.232  -26.219 1.00 13.41  ? 57  PRO B O   1 
ATOM   444  C CB  . PRO A 1 51  ? -38.720 -6.477  -25.862 1.00 15.81  ? 57  PRO B CB  1 
ATOM   445  C CG  . PRO A 1 51  ? -39.917 -7.084  -25.202 1.00 15.05  ? 57  PRO B CG  1 
ATOM   446  C CD  . PRO A 1 51  ? -39.882 -8.537  -25.507 1.00 13.16  ? 57  PRO B CD  1 
ATOM   447  N N   . MET A 1 52  ? -36.471 -8.657  -27.950 1.00 12.17  ? 58  MET B N   1 
ATOM   448  C CA  . MET A 1 52  ? -35.109 -9.221  -28.043 1.00 11.22  ? 58  MET B CA  1 
ATOM   449  C C   . MET A 1 52  ? -34.305 -8.625  -29.183 1.00 12.20  ? 58  MET B C   1 
ATOM   450  O O   . MET A 1 52  ? -34.821 -8.137  -30.215 1.00 12.44  ? 58  MET B O   1 
ATOM   451  C CB  . MET A 1 52  ? -35.228 -10.735 -28.239 1.00 12.38  ? 58  MET B CB  1 
ATOM   452  C CG  . MET A 1 52  ? -35.806 -11.448 -27.018 1.00 11.68  ? 58  MET B CG  1 
ATOM   453  S SD  . MET A 1 52  ? -36.277 -13.145 -27.434 1.00 13.95  ? 58  MET B SD  1 
ATOM   454  C CE  . MET A 1 52  ? -36.852 -13.749 -25.858 1.00 14.55  ? 58  MET B CE  1 
ATOM   455  N N   . VAL A 1 53  ? -32.986 -8.699  -29.035 1.00 11.64  ? 59  VAL B N   1 
ATOM   456  C CA  . VAL A 1 53  ? -31.994 -8.240  -30.048 1.00 12.10  ? 59  VAL B CA  1 
ATOM   457  C C   . VAL A 1 53  ? -30.685 -9.008  -29.842 1.00 13.45  ? 59  VAL B C   1 
ATOM   458  O O   . VAL A 1 53  ? -30.390 -9.404  -28.685 1.00 12.57  ? 59  VAL B O   1 
ATOM   459  C CB  . VAL A 1 53  ? -31.799 -6.712  -30.000 1.00 12.33  ? 59  VAL B CB  1 
ATOM   460  C CG1 . VAL A 1 53  ? -31.267 -6.234  -28.673 1.00 12.64  ? 59  VAL B CG1 1 
ATOM   461  C CG2 . VAL A 1 53  ? -30.937 -6.187  -31.145 1.00 13.01  ? 59  VAL B CG2 1 
ATOM   462  N N   . LEU A 1 54  ? -29.938 -9.196  -30.905 1.00 12.53  ? 60  LEU B N   1 
ATOM   463  C CA  . LEU A 1 54  ? -28.600 -9.829  -30.853 1.00 12.53  ? 60  LEU B CA  1 
ATOM   464  C C   . LEU A 1 54  ? -27.494 -8.818  -30.977 1.00 13.31  ? 60  LEU B C   1 
ATOM   465  O O   . LEU A 1 54  ? -27.623 -7.735  -31.647 1.00 13.47  ? 60  LEU B O   1 
ATOM   466  C CB  . LEU A 1 54  ? -28.448 -10.893 -31.944 1.00 12.59  ? 60  LEU B CB  1 
ATOM   467  C CG  . LEU A 1 54  ? -29.509 -11.965 -31.977 1.00 13.15  ? 60  LEU B CG  1 
ATOM   468  C CD1 . LEU A 1 54  ? -29.239 -13.060 -33.006 1.00 15.35  ? 60  LEU B CD1 1 
ATOM   469  C CD2 . LEU A 1 54  ? -29.714 -12.586 -30.611 1.00 12.96  ? 60  LEU B CD2 1 
ATOM   470  N N   . GLY A 1 55  ? -26.339 -9.192  -30.420 1.00 12.63  ? 61  GLY B N   1 
ATOM   471  C CA  . GLY A 1 55  ? -25.077 -8.506  -30.754 1.00 13.15  ? 61  GLY B CA  1 
ATOM   472  C C   . GLY A 1 55  ? -24.681 -8.789  -32.200 1.00 12.98  ? 61  GLY B C   1 
ATOM   473  O O   . GLY A 1 55  ? -25.005 -9.866  -32.689 1.00 14.41  ? 61  GLY B O   1 
ATOM   474  N N   . ALA A 1 56  ? -23.881 -7.922  -32.780 1.00 15.04  ? 62  ALA B N   1 
ATOM   475  C CA  . ALA A 1 56  ? -23.378 -8.079  -34.160 1.00 16.61  ? 62  ALA B CA  1 
ATOM   476  C C   . ALA A 1 56  ? -22.257 -9.120  -34.199 1.00 17.67  ? 62  ALA B C   1 
ATOM   477  O O   . ALA A 1 56  ? -22.081 -9.819  -35.236 1.00 21.15  ? 62  ALA B O   1 
ATOM   478  C CB  . ALA A 1 56  ? -22.938 -6.716  -34.618 1.00 17.30  ? 62  ALA B CB  1 
ATOM   479  N N   . GLN A 1 57  ? -21.538 -9.263  -33.098 1.00 16.87  ? 63  GLN B N   1 
ATOM   480  C CA  . GLN A 1 57  ? -20.333 -10.118 -33.109 1.00 16.34  ? 63  GLN B CA  1 
ATOM   481  C C   . GLN A 1 57  ? -20.760 -11.584 -33.120 1.00 17.93  ? 63  GLN B C   1 
ATOM   482  O O   . GLN A 1 57  ? -21.766 -11.963 -32.474 1.00 17.55  ? 63  GLN B O   1 
ATOM   483  C CB  . GLN A 1 57  ? -19.480 -9.769  -31.876 1.00 18.60  ? 63  GLN B CB  1 
ATOM   484  C CG  . GLN A 1 57  ? -18.782 -8.418  -31.934 1.00 19.99  ? 63  GLN B CG  1 
ATOM   485  C CD  . GLN A 1 57  ? -19.722 -7.230  -31.793 1.00 20.24  ? 63  GLN B CD  1 
ATOM   486  O OE1 . GLN A 1 57  ? -20.698 -7.271  -31.048 1.00 18.56  ? 63  GLN B OE1 1 
ATOM   487  N NE2 . GLN A 1 57  ? -19.476 -6.155  -32.507 1.00 22.98  ? 63  GLN B NE2 1 
ATOM   488  N N   . ARG A 1 58  ? -20.023 -12.419 -33.856 1.00 18.14  ? 64  ARG B N   1 
ATOM   489  C CA  . ARG A 1 58  ? -20.185 -13.877 -33.838 1.00 17.45  ? 64  ARG B CA  1 
ATOM   490  C C   . ARG A 1 58  ? -18.917 -14.525 -33.291 1.00 16.94  ? 64  ARG B C   1 
ATOM   491  O O   . ARG A 1 58  ? -17.811 -14.081 -33.655 1.00 20.30  ? 64  ARG B O   1 
ATOM   492  C CB  . ARG A 1 58  ? -20.348 -14.441 -35.259 1.00 21.48  ? 64  ARG B CB  1 
ATOM   493  C CG  . ARG A 1 58  ? -21.716 -14.252 -35.923 1.00 30.81  ? 64  ARG B CG  1 
ATOM   494  C CD  . ARG A 1 58  ? -22.218 -12.842 -35.791 1.00 32.44  ? 64  ARG B CD  1 
ATOM   495  N NE  . ARG A 1 58  ? -23.094 -12.116 -36.717 1.00 37.79  ? 64  ARG B NE  1 
ATOM   496  C CZ  . ARG A 1 58  ? -23.790 -12.572 -37.756 1.00 37.47  ? 64  ARG B CZ  1 
ATOM   497  N NH1 . ARG A 1 58  ? -24.525 -11.710 -38.446 1.00 39.69  ? 64  ARG B NH1 1 
ATOM   498  N NH2 . ARG A 1 58  ? -23.760 -13.831 -38.135 1.00 37.18  ? 64  ARG B NH2 1 
ATOM   499  N N   . PHE A 1 59  ? -19.067 -15.478 -32.389 1.00 16.61  ? 65  PHE B N   1 
ATOM   500  C CA  . PHE A 1 59  ? -17.902 -16.141 -31.731 1.00 15.94  ? 65  PHE B CA  1 
ATOM   501  C C   . PHE A 1 59  ? -17.938 -17.643 -32.018 1.00 14.79  ? 65  PHE B C   1 
ATOM   502  O O   . PHE A 1 59  ? -18.952 -18.277 -31.795 1.00 14.73  ? 65  PHE B O   1 
ATOM   503  C CB  . PHE A 1 59  ? -17.980 -15.891 -30.203 1.00 17.88  ? 65  PHE B CB  1 
ATOM   504  C CG  . PHE A 1 59  ? -17.962 -14.420 -29.821 1.00 19.70  ? 65  PHE B CG  1 
ATOM   505  C CD1 . PHE A 1 59  ? -16.936 -13.608 -30.287 1.00 23.11  ? 65  PHE B CD1 1 
ATOM   506  C CD2 . PHE A 1 59  ? -18.949 -13.846 -29.059 1.00 27.27  ? 65  PHE B CD2 1 
ATOM   507  C CE1 . PHE A 1 59  ? -16.875 -12.253 -29.996 1.00 25.29  ? 65  PHE B CE1 1 
ATOM   508  C CE2 . PHE A 1 59  ? -18.871 -12.493 -28.729 1.00 21.70  ? 65  PHE B CE2 1 
ATOM   509  C CZ  . PHE A 1 59  ? -17.861 -11.712 -29.226 1.00 22.82  ? 65  PHE B CZ  1 
ATOM   510  N N   A SER A 1 60  ? -16.821 -18.212 -32.496 0.25 14.45  ? 66  SER B N   1 
ATOM   511  N N   B SER A 1 60  ? -16.823 -18.217 -32.495 0.25 14.90  ? 66  SER B N   1 
ATOM   512  C CA  A SER A 1 60  ? -16.715 -19.664 -32.803 0.25 14.92  ? 66  SER B CA  1 
ATOM   513  C CA  B SER A 1 60  ? -16.697 -19.675 -32.770 0.25 15.69  ? 66  SER B CA  1 
ATOM   514  C C   A SER A 1 60  ? -15.487 -20.285 -32.112 0.25 15.18  ? 66  SER B C   1 
ATOM   515  C C   B SER A 1 60  ? -15.399 -20.225 -32.176 0.25 16.15  ? 66  SER B C   1 
ATOM   516  O O   A SER A 1 60  ? -15.326 -21.517 -32.200 0.25 14.67  ? 66  SER B O   1 
ATOM   517  O O   B SER A 1 60  ? -14.953 -21.294 -32.615 0.25 15.44  ? 66  SER B O   1 
ATOM   518  C CB  A SER A 1 60  ? -16.740 -19.885 -34.305 0.25 15.25  ? 66  SER B CB  1 
ATOM   519  C CB  B SER A 1 60  ? -16.724 -19.934 -34.238 0.25 16.14  ? 66  SER B CB  1 
ATOM   520  O OG  A SER A 1 60  ? -18.091 -19.813 -34.795 0.25 16.17  ? 66  SER B OG  1 
ATOM   521  O OG  B SER A 1 60  ? -15.652 -19.260 -34.847 0.25 17.27  ? 66  SER B OG  1 
ATOM   522  N N   A SER A 1 61  ? -14.723 -19.484 -31.359 0.25 14.93  ? 67  SER B N   1 
ATOM   523  N N   B SER A 1 61  ? -14.815 -19.516 -31.214 0.25 16.64  ? 67  SER B N   1 
ATOM   524  C CA  A SER A 1 61  ? -13.514 -19.923 -30.616 0.25 15.88  ? 67  SER B CA  1 
ATOM   525  C CA  B SER A 1 61  ? -13.515 -19.884 -30.617 0.25 18.28  ? 67  SER B CA  1 
ATOM   526  C C   A SER A 1 61  ? -13.211 -18.929 -29.493 0.25 17.10  ? 67  SER B C   1 
ATOM   527  C C   B SER A 1 61  ? -13.124 -18.867 -29.549 0.25 18.49  ? 67  SER B C   1 
ATOM   528  O O   A SER A 1 61  ? -13.840 -17.861 -29.473 0.25 16.73  ? 67  SER B O   1 
ATOM   529  O O   B SER A 1 61  ? -13.564 -17.704 -29.649 0.25 17.29  ? 67  SER B O   1 
ATOM   530  C CB  A SER A 1 61  ? -12.331 -20.061 -31.556 0.25 16.27  ? 67  SER B CB  1 
ATOM   531  C CB  B SER A 1 61  ? -12.468 -19.967 -31.697 0.25 20.19  ? 67  SER B CB  1 
ATOM   532  O OG  A SER A 1 61  ? -11.849 -18.788 -31.951 0.25 15.34  ? 67  SER B OG  1 
ATOM   533  O OG  B SER A 1 61  ? -11.236 -20.379 -31.141 0.25 22.80  ? 67  SER B OG  1 
ATOM   534  N N   . GLY A 1 62  ? -12.273 -19.276 -28.610 1.00 19.45  ? 68  GLY B N   1 
ATOM   535  C CA  . GLY A 1 62  ? -11.677 -18.302 -27.689 1.00 19.98  ? 68  GLY B CA  1 
ATOM   536  C C   . GLY A 1 62  ? -12.498 -18.047 -26.438 1.00 17.35  ? 68  GLY B C   1 
ATOM   537  O O   . GLY A 1 62  ? -13.507 -18.764 -26.165 1.00 17.21  ? 68  GLY B O   1 
ATOM   538  N N   . LYS A 1 63  ? -12.008 -17.062 -25.714 1.00 16.57  ? 69  LYS B N   1 
ATOM   539  C CA  . LYS A 1 63  ? -12.583 -16.612 -24.455 1.00 16.93  ? 69  LYS B CA  1 
ATOM   540  C C   . LYS A 1 63  ? -13.004 -15.169 -24.689 1.00 16.43  ? 69  LYS B C   1 
ATOM   541  O O   . LYS A 1 63  ? -12.212 -14.360 -25.191 1.00 18.15  ? 69  LYS B O   1 
ATOM   542  C CB  . LYS A 1 63  ? -11.562 -16.761 -23.333 1.00 18.23  ? 69  LYS B CB  1 
ATOM   543  C CG  . LYS A 1 63  ? -11.163 -18.190 -22.989 1.00 18.85  ? 69  LYS B CG  1 
ATOM   544  C CD  . LYS A 1 63  ? -10.032 -18.262 -21.924 1.00 22.34  ? 69  LYS B CD  1 
ATOM   545  C CE  . LYS A 1 63  ? -9.587  -19.676 -21.654 1.00 27.28  ? 69  LYS B CE  1 
ATOM   546  N NZ  . LYS A 1 63  ? -8.606  -19.700 -20.541 1.00 30.21  ? 69  LYS B NZ  1 
ATOM   547  N N   . MET A 1 64  ? -14.224 -14.828 -24.270 1.00 15.53  ? 70  MET B N   1 
ATOM   548  C CA  . MET A 1 64  ? -14.843 -13.508 -24.472 1.00 15.23  ? 70  MET B CA  1 
ATOM   549  C C   . MET A 1 64  ? -15.546 -13.065 -23.193 1.00 14.11  ? 70  MET B C   1 
ATOM   550  O O   . MET A 1 64  ? -16.089 -13.891 -22.477 1.00 15.22  ? 70  MET B O   1 
ATOM   551  C CB  . MET A 1 64  ? -15.944 -13.583 -25.514 1.00 16.03  ? 70  MET B CB  1 
ATOM   552  C CG  . MET A 1 64  ? -15.516 -13.729 -26.954 1.00 17.16  ? 70  MET B CG  1 
ATOM   553  S SD  . MET A 1 64  ? -14.756 -15.332 -27.472 1.00 18.88  ? 70  MET B SD  1 
ATOM   554  C CE  . MET A 1 64  ? -15.984 -16.546 -27.025 1.00 19.19  ? 70  MET B CE  1 
ATOM   555  N N   . TYR A 1 65  ? -15.510 -11.781 -22.909 1.00 14.45  ? 71  TYR B N   1 
ATOM   556  C CA  . TYR A 1 65  ? -16.100 -11.211 -21.670 1.00 14.55  ? 71  TYR B CA  1 
ATOM   557  C C   . TYR A 1 65  ? -16.696 -9.864  -22.028 1.00 15.19  ? 71  TYR B C   1 
ATOM   558  O O   . TYR A 1 65  ? -16.068 -9.032  -22.742 1.00 16.05  ? 71  TYR B O   1 
ATOM   559  C CB  . TYR A 1 65  ? -15.058 -11.054 -20.560 1.00 15.89  ? 71  TYR B CB  1 
ATOM   560  C CG  . TYR A 1 65  ? -15.561 -10.440 -19.281 1.00 15.85  ? 71  TYR B CG  1 
ATOM   561  C CD1 . TYR A 1 65  ? -16.289 -11.195 -18.382 1.00 15.49  ? 71  TYR B CD1 1 
ATOM   562  C CD2 . TYR A 1 65  ? -15.404 -9.082  -19.030 1.00 16.55  ? 71  TYR B CD2 1 
ATOM   563  C CE1 . TYR A 1 65  ? -16.796 -10.649 -17.211 1.00 16.86  ? 71  TYR B CE1 1 
ATOM   564  C CE2 . TYR A 1 65  ? -15.893 -8.516  -17.859 1.00 15.69  ? 71  TYR B CE2 1 
ATOM   565  C CZ  . TYR A 1 65  ? -16.602 -9.292  -16.970 1.00 15.94  ? 71  TYR B CZ  1 
ATOM   566  O OH  . TYR A 1 65  ? -17.086 -8.709  -15.830 1.00 18.68  ? 71  TYR B OH  1 
ATOM   567  N N   . TRP A 1 66  ? -17.907 -9.616  -21.545 1.00 12.73  ? 72  TRP B N   1 
ATOM   568  C CA  . TRP A 1 66  ? -18.499 -8.261  -21.638 1.00 13.86  ? 72  TRP B CA  1 
ATOM   569  C C   . TRP A 1 66  ? -19.398 -7.987  -20.426 1.00 13.87  ? 72  TRP B C   1 
ATOM   570  O O   . TRP A 1 66  ? -19.726 -8.928  -19.692 1.00 14.60  ? 72  TRP B O   1 
ATOM   571  C CB  . TRP A 1 66  ? -19.251 -8.056  -22.986 1.00 13.23  ? 72  TRP B CB  1 
ATOM   572  C CG  . TRP A 1 66  ? -20.422 -8.944  -23.246 1.00 12.87  ? 72  TRP B CG  1 
ATOM   573  C CD1 . TRP A 1 66  ? -21.755 -8.652  -23.032 1.00 13.59  ? 72  TRP B CD1 1 
ATOM   574  C CD2 . TRP A 1 66  ? -20.422 -10.263 -23.786 1.00 13.71  ? 72  TRP B CD2 1 
ATOM   575  N NE1 . TRP A 1 66  ? -22.548 -9.698  -23.433 1.00 13.71  ? 72  TRP B NE1 1 
ATOM   576  C CE2 . TRP A 1 66  ? -21.761 -10.715 -23.883 1.00 13.60  ? 72  TRP B CE2 1 
ATOM   577  C CE3 . TRP A 1 66  ? -19.390 -11.105 -24.202 1.00 16.72  ? 72  TRP B CE3 1 
ATOM   578  C CZ2 . TRP A 1 66  ? -22.099 -11.955 -24.401 1.00 14.59  ? 72  TRP B CZ2 1 
ATOM   579  C CZ3 . TRP A 1 66  ? -19.718 -12.346 -24.700 1.00 18.11  ? 72  TRP B CZ3 1 
ATOM   580  C CH2 . TRP A 1 66  ? -21.044 -12.767 -24.778 1.00 15.47  ? 72  TRP B CH2 1 
ATOM   581  N N   . GLU A 1 67  ? -19.828 -6.725  -20.260 1.00 13.84  ? 73  GLU B N   1 
ATOM   582  C CA  . GLU A 1 67  ? -20.646 -6.306  -19.088 1.00 13.80  ? 73  GLU B CA  1 
ATOM   583  C C   . GLU A 1 67  ? -21.859 -5.525  -19.556 1.00 13.62  ? 73  GLU B C   1 
ATOM   584  O O   . GLU A 1 67  ? -21.747 -4.790  -20.544 1.00 13.96  ? 73  GLU B O   1 
ATOM   585  C CB  . GLU A 1 67  ? -19.845 -5.443  -18.118 1.00 15.62  ? 73  GLU B CB  1 
ATOM   586  C CG  . GLU A 1 67  ? -18.719 -6.271  -17.476 1.00 17.99  ? 73  GLU B CG  1 
ATOM   587  C CD  . GLU A 1 67  ? -17.876 -5.533  -16.456 1.00 22.04  ? 73  GLU B CD  1 
ATOM   588  O OE1 . GLU A 1 67  ? -18.061 -4.288  -16.361 1.00 26.91  ? 73  GLU B OE1 1 
ATOM   589  O OE2 . GLU A 1 67  ? -17.044 -6.191  -15.725 1.00 19.43  ? 73  GLU B OE2 1 
ATOM   590  N N   . VAL A 1 68  ? -22.979 -5.733  -18.867 1.00 14.46  ? 74  VAL B N   1 
ATOM   591  C CA  . VAL A 1 68  ? -24.257 -5.088  -19.210 1.00 13.10  ? 74  VAL B CA  1 
ATOM   592  C C   . VAL A 1 68  ? -24.823 -4.395  -17.972 1.00 12.70  ? 74  VAL B C   1 
ATOM   593  O O   . VAL A 1 68  ? -24.931 -5.028  -16.909 1.00 13.75  ? 74  VAL B O   1 
ATOM   594  C CB  . VAL A 1 68  ? -25.260 -6.104  -19.768 1.00 13.69  ? 74  VAL B CB  1 
ATOM   595  C CG1 . VAL A 1 68  ? -26.503 -5.363  -20.218 1.00 14.98  ? 74  VAL B CG1 1 
ATOM   596  C CG2 . VAL A 1 68  ? -24.641 -6.955  -20.864 1.00 14.10  ? 74  VAL B CG2 1 
ATOM   597  N N   . ASP A 1 69  ? -25.255 -3.141  -18.128 1.00 13.47  ? 75  ASP B N   1 
ATOM   598  C CA  . ASP A 1 69  ? -25.941 -2.369  -17.064 1.00 14.68  ? 75  ASP B CA  1 
ATOM   599  C C   . ASP A 1 69  ? -27.428 -2.669  -17.112 1.00 13.26  ? 75  ASP B C   1 
ATOM   600  O O   . ASP A 1 69  ? -28.034 -2.576  -18.237 1.00 13.90  ? 75  ASP B O   1 
ATOM   601  C CB  . ASP A 1 69  ? -25.659 -0.868  -17.228 1.00 16.98  ? 75  ASP B CB  1 
ATOM   602  C CG  . ASP A 1 69  ? -26.049 -0.051  -16.000 1.00 18.87  ? 75  ASP B CG  1 
ATOM   603  O OD1 . ASP A 1 69  ? -27.226 -0.015  -15.656 1.00 18.81  ? 75  ASP B OD1 1 
ATOM   604  O OD2 . ASP A 1 69  ? -25.135 0.398   -15.303 1.00 25.63  ? 75  ASP B OD2 1 
ATOM   605  N N   . VAL A 1 70  ? -27.997 -3.087  -15.980 1.00 13.79  ? 76  VAL B N   1 
ATOM   606  C CA  . VAL A 1 70  ? -29.435 -3.408  -15.812 1.00 14.10  ? 76  VAL B CA  1 
ATOM   607  C C   . VAL A 1 70  ? -30.112 -2.501  -14.765 1.00 14.60  ? 76  VAL B C   1 
ATOM   608  O O   . VAL A 1 70  ? -31.189 -2.851  -14.268 1.00 14.63  ? 76  VAL B O   1 
ATOM   609  C CB  . VAL A 1 70  ? -29.593 -4.914  -15.476 1.00 13.88  ? 76  VAL B CB  1 
ATOM   610  C CG1 . VAL A 1 70  ? -29.006 -5.809  -16.602 1.00 13.22  ? 76  VAL B CG1 1 
ATOM   611  C CG2 . VAL A 1 70  ? -28.987 -5.290  -14.138 1.00 14.26  ? 76  VAL B CG2 1 
ATOM   612  N N   . THR A 1 71  ? -29.485 -1.379  -14.418 1.00 14.71  ? 77  THR B N   1 
ATOM   613  C CA  . THR A 1 71  ? -29.982 -0.482  -13.356 1.00 15.76  ? 77  THR B CA  1 
ATOM   614  C C   . THR A 1 71  ? -31.480 -0.175  -13.555 1.00 16.77  ? 77  THR B C   1 
ATOM   615  O O   . THR A 1 71  ? -31.902 0.192   -14.669 1.00 16.44  ? 77  THR B O   1 
ATOM   616  C CB  . THR A 1 71  ? -29.198 0.825   -13.349 1.00 17.59  ? 77  THR B CB  1 
ATOM   617  O OG1 . THR A 1 71  ? -27.819 0.548   -13.071 1.00 19.57  ? 77  THR B OG1 1 
ATOM   618  C CG2 . THR A 1 71  ? -29.808 1.753   -12.317 1.00 20.72  ? 77  THR B CG2 1 
ATOM   619  N N   . GLN A 1 72  ? -32.215 -0.317  -12.460 1.00 18.96  ? 78  GLN B N   1 
ATOM   620  C CA  . GLN A 1 72  ? -33.647 0.018   -12.227 1.00 21.51  ? 78  GLN B CA  1 
ATOM   621  C C   . GLN A 1 72  ? -34.570 -0.784  -13.139 1.00 23.50  ? 78  GLN B C   1 
ATOM   622  O O   . GLN A 1 72  ? -35.768 -0.459  -13.197 1.00 25.05  ? 78  GLN B O   1 
ATOM   623  C CB  . GLN A 1 72  ? -33.881 1.521   -12.325 1.00 29.35  ? 78  GLN B CB  1 
ATOM   624  C CG  . GLN A 1 72  ? -33.756 2.086   -13.725 1.00 37.87  ? 78  GLN B CG  1 
ATOM   625  C CD  . GLN A 1 72  ? -34.732 3.207   -14.026 1.00 43.56  ? 78  GLN B CD  1 
ATOM   626  O OE1 . GLN A 1 72  ? -34.351 4.248   -14.569 1.00 47.82  ? 78  GLN B OE1 1 
ATOM   627  N NE2 . GLN A 1 72  ? -36.013 2.961   -13.764 1.00 46.43  ? 78  GLN B NE2 1 
ATOM   628  N N   . LYS A 1 73  ? -34.124 -1.839  -13.808 1.00 15.91  ? 79  LYS B N   1 
ATOM   629  C CA  . LYS A 1 73  ? -35.099 -2.655  -14.558 1.00 15.17  ? 79  LYS B CA  1 
ATOM   630  C C   . LYS A 1 73  ? -35.784 -3.717  -13.684 1.00 14.13  ? 79  LYS B C   1 
ATOM   631  O O   . LYS A 1 73  ? -35.154 -4.241  -12.685 1.00 16.95  ? 79  LYS B O   1 
ATOM   632  C CB  . LYS A 1 73  ? -34.368 -3.342  -15.707 1.00 14.99  ? 79  LYS B CB  1 
ATOM   633  C CG  . LYS A 1 73  ? -33.907 -2.370  -16.807 1.00 15.79  ? 79  LYS B CG  1 
ATOM   634  C CD  . LYS A 1 73  ? -33.425 -3.015  -18.083 1.00 17.43  ? 79  LYS B CD  1 
ATOM   635  C CE  . LYS A 1 73  ? -34.496 -3.760  -18.847 1.00 16.17  ? 79  LYS B CE  1 
ATOM   636  N NZ  . LYS A 1 73  ? -35.677 -2.899  -19.181 1.00 13.90  ? 79  LYS B NZ  1 
ATOM   637  N N   . GLU A 1 74  ? -37.034 -4.013  -13.975 1.00 13.04  ? 80  GLU B N   1 
ATOM   638  C CA  . GLU A 1 74  ? -37.830 -5.038  -13.282 1.00 13.05  ? 80  GLU B CA  1 
ATOM   639  C C   . GLU A 1 74  ? -37.727 -6.401  -13.970 1.00 13.01  ? 80  GLU B C   1 
ATOM   640  O O   . GLU A 1 74  ? -38.088 -7.443  -13.383 1.00 14.01  ? 80  GLU B O   1 
ATOM   641  C CB  . GLU A 1 74  ? -39.319 -4.639  -13.248 1.00 14.55  ? 80  GLU B CB  1 
ATOM   642  C CG  . GLU A 1 74  ? -39.587 -3.354  -12.488 1.00 15.66  ? 80  GLU B CG  1 
ATOM   643  C CD  . GLU A 1 74  ? -41.055 -2.927  -12.578 1.00 16.18  ? 80  GLU B CD  1 
ATOM   644  O OE1 . GLU A 1 74  ? -41.456 -2.078  -11.757 1.00 18.97  ? 80  GLU B OE1 1 
ATOM   645  O OE2 . GLU A 1 74  ? -41.772 -3.464  -13.471 1.00 18.05  ? 80  GLU B OE2 1 
ATOM   646  N N   . ALA A 1 75  ? -37.376 -6.426  -15.266 1.00 12.94  ? 81  ALA B N   1 
ATOM   647  C CA  . ALA A 1 75  ? -37.383 -7.687  -16.029 1.00 12.47  ? 81  ALA B CA  1 
ATOM   648  C C   . ALA A 1 75  ? -36.408 -7.563  -17.189 1.00 13.58  ? 81  ALA B C   1 
ATOM   649  O O   . ALA A 1 75  ? -36.377 -6.511  -17.857 1.00 13.05  ? 81  ALA B O   1 
ATOM   650  C CB  . ALA A 1 75  ? -38.769 -8.017  -16.565 1.00 13.90  ? 81  ALA B CB  1 
ATOM   651  N N   . TRP A 1 76  ? -35.713 -8.655  -17.479 1.00 12.01  ? 82  TRP B N   1 
ATOM   652  C CA  . TRP A 1 76  ? -34.702 -8.710  -18.581 1.00 12.06  ? 82  TRP B CA  1 
ATOM   653  C C   . TRP A 1 76  ? -34.184 -10.130 -18.688 1.00 12.31  ? 82  TRP B C   1 
ATOM   654  O O   . TRP A 1 76  ? -34.287 -10.883 -17.709 1.00 12.11  ? 82  TRP B O   1 
ATOM   655  C CB  . TRP A 1 76  ? -33.540 -7.733  -18.377 1.00 12.79  ? 82  TRP B CB  1 
ATOM   656  C CG  . TRP A 1 76  ? -32.873 -7.782  -17.034 1.00 12.38  ? 82  TRP B CG  1 
ATOM   657  C CD1 . TRP A 1 76  ? -33.082 -6.921  -16.007 1.00 13.65  ? 82  TRP B CD1 1 
ATOM   658  C CD2 . TRP A 1 76  ? -31.883 -8.723  -16.531 1.00 12.37  ? 82  TRP B CD2 1 
ATOM   659  N NE1 . TRP A 1 76  ? -32.333 -7.227  -14.920 1.00 13.49  ? 82  TRP B NE1 1 
ATOM   660  C CE2 . TRP A 1 76  ? -31.606 -8.368  -15.201 1.00 13.76  ? 82  TRP B CE2 1 
ATOM   661  C CE3 . TRP A 1 76  ? -31.271 -9.892  -17.055 1.00 13.77  ? 82  TRP B CE3 1 
ATOM   662  C CZ2 . TRP A 1 76  ? -30.669 -9.022  -14.411 1.00 13.54  ? 82  TRP B CZ2 1 
ATOM   663  C CZ3 . TRP A 1 76  ? -30.348 -10.562 -16.266 1.00 12.68  ? 82  TRP B CZ3 1 
ATOM   664  C CH2 . TRP A 1 76  ? -30.104 -10.156 -14.946 1.00 13.88  ? 82  TRP B CH2 1 
ATOM   665  N N   . ASP A 1 77  ? -33.660 -10.483 -19.859 1.00 11.90  ? 83  ASP B N   1 
ATOM   666  C CA  . ASP A 1 77  ? -32.921 -11.754 -20.069 1.00 12.50  ? 83  ASP B CA  1 
ATOM   667  C C   . ASP A 1 77  ? -31.551 -11.366 -20.656 1.00 11.90  ? 83  ASP B C   1 
ATOM   668  O O   . ASP A 1 77  ? -31.519 -10.412 -21.501 1.00 12.21  ? 83  ASP B O   1 
ATOM   669  C CB  . ASP A 1 77  ? -33.586 -12.711 -21.049 1.00 13.21  ? 83  ASP B CB  1 
ATOM   670  C CG  . ASP A 1 77  ? -35.074 -12.913 -20.926 1.00 15.89  ? 83  ASP B CG  1 
ATOM   671  O OD1 . ASP A 1 77  ? -35.522 -12.992 -19.808 1.00 19.28  ? 83  ASP B OD1 1 
ATOM   672  O OD2 . ASP A 1 77  ? -35.739 -13.075 -21.979 1.00 17.68  ? 83  ASP B OD2 1 
ATOM   673  N N   . LEU A 1 78  ? -30.448 -12.024 -20.286 1.00 10.82  ? 84  LEU B N   1 
ATOM   674  C CA  . LEU A 1 78  ? -29.103 -11.772 -20.835 1.00 11.13  ? 84  LEU B CA  1 
ATOM   675  C C   . LEU A 1 78  ? -28.382 -13.101 -21.005 1.00 11.04  ? 84  LEU B C   1 
ATOM   676  O O   . LEU A 1 78  ? -28.527 -14.017 -20.182 1.00 11.21  ? 84  LEU B O   1 
ATOM   677  C CB  . LEU A 1 78  ? -28.292 -10.906 -19.879 1.00 11.60  ? 84  LEU B CB  1 
ATOM   678  C CG  . LEU A 1 78  ? -28.664 -9.448  -19.740 1.00 13.24  ? 84  LEU B CG  1 
ATOM   679  C CD1 . LEU A 1 78  ? -27.817 -8.857  -18.625 1.00 14.38  ? 84  LEU B CD1 1 
ATOM   680  C CD2 . LEU A 1 78  ? -28.460 -8.759  -21.057 1.00 13.51  ? 84  LEU B CD2 1 
ATOM   681  N N   . GLY A 1 79  ? -27.560 -13.165 -22.047 1.00 10.43  ? 85  GLY B N   1 
ATOM   682  C CA  . GLY A 1 79  ? -26.577 -14.251 -22.158 1.00 11.40  ? 85  GLY B CA  1 
ATOM   683  C C   . GLY A 1 79  ? -26.040 -14.339 -23.581 1.00 10.25  ? 85  GLY B C   1 
ATOM   684  O O   . GLY A 1 79  ? -25.677 -13.320 -24.153 1.00 11.00  ? 85  GLY B O   1 
ATOM   685  N N   A VAL A 1 80  ? -25.957 -15.568 -24.102 0.25 10.52  ? 86  VAL B N   1 
ATOM   686  N N   B VAL A 1 80  ? -26.059 -15.540 -24.138 0.25 10.80  ? 86  VAL B N   1 
ATOM   687  C CA  A VAL A 1 80  ? -25.571 -15.860 -25.514 0.25 11.02  ? 86  VAL B CA  1 
ATOM   688  C CA  B VAL A 1 80  ? -25.524 -15.798 -25.497 0.25 11.42  ? 86  VAL B CA  1 
ATOM   689  C C   A VAL A 1 80  ? -26.576 -16.827 -26.129 0.25 11.28  ? 86  VAL B C   1 
ATOM   690  C C   B VAL A 1 80  ? -26.396 -16.897 -26.122 0.25 11.50  ? 86  VAL B C   1 
ATOM   691  O O   A VAL A 1 80  ? -27.332 -17.521 -25.422 0.25 11.34  ? 86  VAL B O   1 
ATOM   692  O O   B VAL A 1 80  ? -26.962 -17.704 -25.374 0.25 11.74  ? 86  VAL B O   1 
ATOM   693  C CB  A VAL A 1 80  ? -24.165 -16.470 -25.645 0.25 11.63  ? 86  VAL B CB  1 
ATOM   694  C CB  B VAL A 1 80  ? -24.033 -16.157 -25.369 0.25 12.50  ? 86  VAL B CB  1 
ATOM   695  C CG1 A VAL A 1 80  ? -23.104 -15.457 -25.282 0.25 11.72  ? 86  VAL B CG1 1 
ATOM   696  C CG1 B VAL A 1 80  ? -23.846 -17.502 -24.687 0.25 12.18  ? 86  VAL B CG1 1 
ATOM   697  C CG2 A VAL A 1 80  ? -24.019 -17.734 -24.814 0.25 11.34  ? 86  VAL B CG2 1 
ATOM   698  C CG2 B VAL A 1 80  ? -23.318 -16.116 -26.701 0.25 13.17  ? 86  VAL B CG2 1 
ATOM   699  N N   . CYS A 1 81  ? -26.556 -16.895 -27.448 1.00 11.10  ? 87  CYS B N   1 
ATOM   700  C CA  . CYS A 1 81  ? -27.370 -17.873 -28.145 1.00 12.54  ? 87  CYS B CA  1 
ATOM   701  C C   . CYS A 1 81  ? -26.713 -18.273 -29.456 1.00 12.03  ? 87  CYS B C   1 
ATOM   702  O O   . CYS A 1 81  ? -25.810 -17.557 -29.967 1.00 12.37  ? 87  CYS B O   1 
ATOM   703  C CB  . CYS A 1 81  ? -28.772 -17.334 -28.390 1.00 13.20  ? 87  CYS B CB  1 
ATOM   704  S SG  . CYS A 1 81  ? -28.851 -15.934 -29.539 1.00 14.04  ? 87  CYS B SG  1 
ATOM   705  N N   A ARG A 1 82  ? -27.149 -19.400 -29.986 0.25 12.40  ? 88  ARG B N   1 
ATOM   706  N N   B ARG A 1 82  ? -27.117 -19.417 -29.981 0.25 11.70  ? 88  ARG B N   1 
ATOM   707  C CA  A ARG A 1 82  ? -26.742 -19.819 -31.348 0.25 13.32  ? 88  ARG B CA  1 
ATOM   708  C CA  B ARG A 1 82  ? -26.656 -19.882 -31.317 0.25 12.06  ? 88  ARG B CA  1 
ATOM   709  C C   A ARG A 1 82  ? -27.142 -18.745 -32.359 0.25 12.91  ? 88  ARG B C   1 
ATOM   710  C C   B ARG A 1 82  ? -27.185 -18.917 -32.398 0.25 12.36  ? 88  ARG B C   1 
ATOM   711  O O   A ARG A 1 82  ? -28.168 -18.073 -32.193 0.25 12.44  ? 88  ARG B O   1 
ATOM   712  O O   B ARG A 1 82  ? -28.365 -18.500 -32.304 0.25 11.64  ? 88  ARG B O   1 
ATOM   713  C CB  A ARG A 1 82  ? -27.400 -21.145 -31.718 0.25 14.50  ? 88  ARG B CB  1 
ATOM   714  C CB  B ARG A 1 82  ? -27.125 -21.328 -31.525 0.25 12.22  ? 88  ARG B CB  1 
ATOM   715  C CG  A ARG A 1 82  ? -26.903 -22.281 -30.851 0.25 15.47  ? 88  ARG B CG  1 
ATOM   716  C CG  B ARG A 1 82  ? -26.479 -22.031 -32.709 0.25 12.12  ? 88  ARG B CG  1 
ATOM   717  C CD  A ARG A 1 82  ? -27.384 -23.630 -31.330 0.25 16.91  ? 88  ARG B CD  1 
ATOM   718  C CD  B ARG A 1 82  ? -27.067 -23.400 -32.955 0.25 12.08  ? 88  ARG B CD  1 
ATOM   719  N NE  A ARG A 1 82  ? -27.102 -24.658 -30.338 0.25 16.38  ? 88  ARG B NE  1 
ATOM   720  N NE  B ARG A 1 82  ? -26.902 -24.234 -31.781 0.25 12.17  ? 88  ARG B NE  1 
ATOM   721  C CZ  A ARG A 1 82  ? -27.951 -25.610 -30.003 0.25 16.78  ? 88  ARG B CZ  1 
ATOM   722  C CZ  B ARG A 1 82  ? -27.900 -24.819 -31.121 0.25 12.32  ? 88  ARG B CZ  1 
ATOM   723  N NH1 A ARG A 1 82  ? -29.146 -25.647 -30.557 0.25 16.59  ? 88  ARG B NH1 1 
ATOM   724  N NH1 B ARG A 1 82  ? -29.133 -24.734 -31.565 0.25 13.49  ? 88  ARG B NH1 1 
ATOM   725  N NH2 A ARG A 1 82  ? -27.599 -26.512 -29.108 0.25 18.65  ? 88  ARG B NH2 1 
ATOM   726  N NH2 B ARG A 1 82  ? -27.649 -25.518 -30.030 0.25 12.06  ? 88  ARG B NH2 1 
ATOM   727  N N   . ASP A 1 83  ? -26.370 -18.627 -33.428 1.00 13.96  ? 89  ASP B N   1 
ATOM   728  C CA  . ASP A 1 83  ? -26.749 -17.695 -34.512 1.00 15.39  ? 89  ASP B CA  1 
ATOM   729  C C   . ASP A 1 83  ? -28.059 -18.192 -35.123 1.00 16.63  ? 89  ASP B C   1 
ATOM   730  O O   . ASP A 1 83  ? -28.798 -17.344 -35.665 1.00 18.98  ? 89  ASP B O   1 
ATOM   731  C CB  . ASP A 1 83  ? -25.621 -17.601 -35.535 1.00 17.84  ? 89  ASP B CB  1 
ATOM   732  C CG  . ASP A 1 83  ? -25.224 -18.872 -36.237 1.00 20.70  ? 89  ASP B CG  1 
ATOM   733  O OD1 . ASP A 1 83  ? -25.693 -20.003 -35.866 1.00 23.08  ? 89  ASP B OD1 1 
ATOM   734  O OD2 . ASP A 1 83  ? -24.415 -18.724 -37.224 1.00 24.81  ? 89  ASP B OD2 1 
ATOM   735  N N   . SER A 1 84  ? -28.366 -19.492 -35.096 1.00 14.82  ? 90  SER B N   1 
ATOM   736  C CA  . SER A 1 84  ? -29.528 -20.049 -35.823 1.00 16.91  ? 90  SER B CA  1 
ATOM   737  C C   . SER A 1 84  ? -30.790 -20.183 -34.955 1.00 14.93  ? 90  SER B C   1 
ATOM   738  O O   . SER A 1 84  ? -31.669 -20.950 -35.298 1.00 16.62  ? 90  SER B O   1 
ATOM   739  C CB  . SER A 1 84  ? -29.140 -21.362 -36.459 1.00 18.81  ? 90  SER B CB  1 
ATOM   740  O OG  . SER A 1 84  ? -28.649 -22.254 -35.516 1.00 19.32  ? 90  SER B OG  1 
ATOM   741  N N   . VAL A 1 85  ? -30.830 -19.567 -33.766 1.00 14.21  ? 91  VAL B N   1 
ATOM   742  C CA  . VAL A 1 85  ? -32.051 -19.650 -32.940 1.00 14.71  ? 91  VAL B CA  1 
ATOM   743  C C   . VAL A 1 85  ? -33.265 -19.172 -33.752 1.00 14.13  ? 91  VAL B C   1 
ATOM   744  O O   . VAL A 1 85  ? -33.173 -18.234 -34.569 1.00 14.83  ? 91  VAL B O   1 
ATOM   745  C CB  . VAL A 1 85  ? -31.952 -18.920 -31.581 1.00 13.62  ? 91  VAL B CB  1 
ATOM   746  C CG1 . VAL A 1 85  ? -30.933 -19.596 -30.672 1.00 13.89  ? 91  VAL B CG1 1 
ATOM   747  C CG2 . VAL A 1 85  ? -31.732 -17.440 -31.693 1.00 13.59  ? 91  VAL B CG2 1 
ATOM   748  N N   . GLN A 1 86  ? -34.388 -19.784 -33.442 1.00 15.99  ? 92  GLN B N   1 
ATOM   749  C CA  . GLN A 1 86  ? -35.742 -19.374 -33.928 1.00 17.18  ? 92  GLN B CA  1 
ATOM   750  C C   . GLN A 1 86  ? -35.958 -17.888 -33.608 1.00 16.33  ? 92  GLN B C   1 
ATOM   751  O O   . GLN A 1 86  ? -35.693 -17.468 -32.485 1.00 16.43  ? 92  GLN B O   1 
ATOM   752  C CB  . GLN A 1 86  ? -36.754 -20.303 -33.239 1.00 20.33  ? 92  GLN B CB  1 
ATOM   753  C CG  . GLN A 1 86  ? -38.233 -19.979 -33.431 1.00 22.93  ? 92  GLN B CG  1 
ATOM   754  C CD  . GLN A 1 86  ? -39.129 -20.850 -32.558 1.00 26.22  ? 92  GLN B CD  1 
ATOM   755  O OE1 . GLN A 1 86  ? -38.724 -21.870 -31.947 1.00 27.29  ? 92  GLN B OE1 1 
ATOM   756  N NE2 . GLN A 1 86  ? -40.416 -20.480 -32.490 1.00 27.08  ? 92  GLN B NE2 1 
ATOM   757  N N   . ARG A 1 87  ? -36.558 -17.159 -34.526 1.00 15.32  ? 93  ARG B N   1 
ATOM   758  C CA  . ARG A 1 87  ? -36.852 -15.707 -34.395 1.00 14.09  ? 93  ARG B CA  1 
ATOM   759  C C   . ARG A 1 87  ? -38.362 -15.479 -34.265 1.00 15.33  ? 93  ARG B C   1 
ATOM   760  O O   . ARG A 1 87  ? -38.708 -14.452 -33.664 1.00 15.53  ? 93  ARG B O   1 
ATOM   761  C CB  . ARG A 1 87  ? -36.316 -14.865 -35.550 1.00 15.33  ? 93  ARG B CB  1 
ATOM   762  C CG  . ARG A 1 87  ? -34.829 -15.041 -35.856 1.00 14.39  ? 93  ARG B CG  1 
ATOM   763  C CD  . ARG A 1 87  ? -33.899 -14.845 -34.641 1.00 15.51  ? 93  ARG B CD  1 
ATOM   764  N NE  . ARG A 1 87  ? -32.531 -15.288 -34.981 1.00 16.60  ? 93  ARG B NE  1 
ATOM   765  C CZ  . ARG A 1 87  ? -31.616 -14.573 -35.609 1.00 16.38  ? 93  ARG B CZ  1 
ATOM   766  N NH1 . ARG A 1 87  ? -31.871 -13.344 -35.980 1.00 17.69  ? 93  ARG B NH1 1 
ATOM   767  N NH2 . ARG A 1 87  ? -30.461 -15.110 -35.924 1.00 18.88  ? 93  ARG B NH2 1 
ATOM   768  N N   . LYS A 1 88  ? -39.207 -16.333 -34.854 1.00 15.71  ? 94  LYS B N   1 
ATOM   769  C CA  . LYS A 1 88  ? -40.649 -16.047 -34.969 1.00 15.86  ? 94  LYS B CA  1 
ATOM   770  C C   . LYS A 1 88  ? -41.444 -16.953 -34.060 1.00 17.32  ? 94  LYS B C   1 
ATOM   771  O O   . LYS A 1 88  ? -41.078 -18.156 -33.939 1.00 19.35  ? 94  LYS B O   1 
ATOM   772  C CB  . LYS A 1 88  ? -41.088 -16.235 -36.416 1.00 16.49  ? 94  LYS B CB  1 
ATOM   773  C CG  . LYS A 1 88  ? -40.322 -15.455 -37.448 1.00 17.59  ? 94  LYS B CG  1 
ATOM   774  C CD  . LYS A 1 88  ? -40.226 -13.947 -37.188 1.00 18.05  ? 94  LYS B CD  1 
ATOM   775  C CE  . LYS A 1 88  ? -39.501 -13.276 -38.308 1.00 18.22  ? 94  LYS B CE  1 
ATOM   776  N NZ  . LYS A 1 88  ? -39.442 -11.798 -38.140 1.00 19.61  ? 94  LYS B NZ  1 
ATOM   777  N N   . GLY A 1 89  ? -42.518 -16.439 -33.483 1.00 17.86  ? 95  GLY B N   1 
ATOM   778  C CA  . GLY A 1 89  ? -43.403 -17.248 -32.644 1.00 18.41  ? 95  GLY B CA  1 
ATOM   779  C C   . GLY A 1 89  ? -42.914 -17.414 -31.225 1.00 19.47  ? 95  GLY B C   1 
ATOM   780  O O   . GLY A 1 89  ? -41.947 -16.670 -30.814 1.00 19.38  ? 95  GLY B O   1 
ATOM   781  N N   . GLN A 1 90  ? -43.546 -18.339 -30.514 1.00 19.55  ? 96  GLN B N   1 
ATOM   782  C CA  . GLN A 1 90  ? -43.292 -18.572 -29.083 1.00 21.36  ? 96  GLN B CA  1 
ATOM   783  C C   . GLN A 1 90  ? -42.210 -19.640 -28.934 1.00 20.91  ? 96  GLN B C   1 
ATOM   784  O O   . GLN A 1 90  ? -42.101 -20.555 -29.786 1.00 21.05  ? 96  GLN B O   1 
ATOM   785  C CB  . GLN A 1 90  ? -44.600 -18.961 -28.381 1.00 26.16  ? 96  GLN B CB  1 
ATOM   786  C CG  . GLN A 1 90  ? -45.587 -17.813 -28.408 1.00 33.12  ? 96  GLN B CG  1 
ATOM   787  C CD  . GLN A 1 90  ? -46.931 -18.230 -27.892 1.00 44.30  ? 96  GLN B CD  1 
ATOM   788  O OE1 . GLN A 1 90  ? -47.279 -17.943 -26.747 1.00 53.70  ? 96  GLN B OE1 1 
ATOM   789  N NE2 . GLN A 1 90  ? -47.670 -18.932 -28.742 1.00 51.56  ? 96  GLN B NE2 1 
ATOM   790  N N   . PHE A 1 91  ? -41.351 -19.457 -27.932 1.00 18.36  ? 97  PHE B N   1 
ATOM   791  C CA  . PHE A 1 91  ? -40.285 -20.412 -27.587 1.00 18.24  ? 97  PHE B CA  1 
ATOM   792  C C   . PHE A 1 91  ? -39.810 -20.136 -26.170 1.00 18.17  ? 97  PHE B C   1 
ATOM   793  O O   . PHE A 1 91  ? -39.993 -19.021 -25.635 1.00 19.06  ? 97  PHE B O   1 
ATOM   794  C CB  . PHE A 1 91  ? -39.114 -20.336 -28.564 1.00 17.82  ? 97  PHE B CB  1 
ATOM   795  C CG  . PHE A 1 91  ? -38.496 -18.971 -28.692 1.00 18.36  ? 97  PHE B CG  1 
ATOM   796  C CD1 . PHE A 1 91  ? -37.506 -18.561 -27.813 1.00 18.54  ? 97  PHE B CD1 1 
ATOM   797  C CD2 . PHE A 1 91  ? -38.855 -18.121 -29.728 1.00 17.98  ? 97  PHE B CD2 1 
ATOM   798  C CE1 . PHE A 1 91  ? -36.901 -17.323 -27.965 1.00 17.09  ? 97  PHE B CE1 1 
ATOM   799  C CE2 . PHE A 1 91  ? -38.249 -16.887 -29.883 1.00 17.55  ? 97  PHE B CE2 1 
ATOM   800  C CZ  . PHE A 1 91  ? -37.253 -16.500 -29.005 1.00 17.66  ? 97  PHE B CZ  1 
ATOM   801  N N   A SER A 1 92  ? -39.242 -21.153 -25.524 0.25 18.61  ? 98  SER B N   1 
ATOM   802  N N   B SER A 1 92  ? -39.189 -21.162 -25.582 0.25 17.67  ? 98  SER B N   1 
ATOM   803  C CA  A SER A 1 92  ? -38.608 -21.001 -24.194 0.25 18.77  ? 98  SER B CA  1 
ATOM   804  C CA  B SER A 1 92  ? -38.571 -21.143 -24.235 0.25 17.36  ? 98  SER B CA  1 
ATOM   805  C C   A SER A 1 92  ? -37.105 -20.801 -24.376 0.25 17.09  ? 98  SER B C   1 
ATOM   806  C C   B SER A 1 92  ? -37.071 -20.860 -24.362 0.25 16.18  ? 98  SER B C   1 
ATOM   807  O O   A SER A 1 92  ? -36.528 -21.277 -25.383 0.25 16.98  ? 98  SER B O   1 
ATOM   808  O O   B SER A 1 92  ? -36.447 -21.341 -25.335 0.25 15.87  ? 98  SER B O   1 
ATOM   809  C CB  A SER A 1 92  ? -38.874 -22.170 -23.306 0.25 21.48  ? 98  SER B CB  1 
ATOM   810  C CB  B SER A 1 92  ? -38.820 -22.447 -23.526 0.25 18.45  ? 98  SER B CB  1 
ATOM   811  O OG  A SER A 1 92  ? -38.619 -23.367 -24.007 0.25 24.07  ? 98  SER B OG  1 
ATOM   812  O OG  B SER A 1 92  ? -40.200 -22.563 -23.185 0.25 19.54  ? 98  SER B OG  1 
ATOM   813  N N   . LEU A 1 93  ? -36.517 -20.089 -23.424 1.00 15.41  ? 99  LEU B N   1 
ATOM   814  C CA  . LEU A 1 93  ? -35.055 -19.908 -23.356 1.00 15.60  ? 99  LEU B CA  1 
ATOM   815  C C   . LEU A 1 93  ? -34.457 -21.126 -22.665 1.00 16.40  ? 99  LEU B C   1 
ATOM   816  O O   . LEU A 1 93  ? -34.543 -21.267 -21.449 1.00 17.93  ? 99  LEU B O   1 
ATOM   817  C CB  . LEU A 1 93  ? -34.685 -18.623 -22.617 1.00 16.27  ? 99  LEU B CB  1 
ATOM   818  C CG  . LEU A 1 93  ? -35.176 -17.339 -23.248 1.00 17.26  ? 99  LEU B CG  1 
ATOM   819  C CD1 . LEU A 1 93  ? -34.842 -16.153 -22.356 1.00 17.98  ? 99  LEU B CD1 1 
ATOM   820  C CD2 . LEU A 1 93  ? -34.637 -17.146 -24.652 1.00 18.96  ? 99  LEU B CD2 1 
ATOM   821  N N   . SER A 1 94  ? -33.769 -22.001 -23.410 1.00 15.30  ? 100 SER B N   1 
ATOM   822  C CA  . SER A 1 94  ? -33.182 -23.243 -22.878 1.00 14.89  ? 100 SER B CA  1 
ATOM   823  C C   . SER A 1 94  ? -31.989 -23.594 -23.737 1.00 13.05  ? 100 SER B C   1 
ATOM   824  O O   . SER A 1 94  ? -31.984 -23.253 -24.933 1.00 13.69  ? 100 SER B O   1 
ATOM   825  C CB  . SER A 1 94  ? -34.114 -24.446 -22.882 1.00 16.60  ? 100 SER B CB  1 
ATOM   826  O OG  . SER A 1 94  ? -34.469 -24.781 -24.213 1.00 19.75  ? 100 SER B OG  1 
ATOM   827  N N   . PRO A 1 95  ? -31.043 -24.368 -23.230 1.00 13.12  ? 101 PRO B N   1 
ATOM   828  C CA  . PRO A 1 95  ? -29.942 -24.859 -24.060 1.00 14.27  ? 101 PRO B CA  1 
ATOM   829  C C   . PRO A 1 95  ? -30.434 -25.739 -25.213 1.00 14.52  ? 101 PRO B C   1 
ATOM   830  O O   . PRO A 1 95  ? -29.841 -25.639 -26.329 1.00 15.07  ? 101 PRO B O   1 
ATOM   831  C CB  . PRO A 1 95  ? -29.047 -25.634 -23.073 1.00 15.14  ? 101 PRO B CB  1 
ATOM   832  C CG  . PRO A 1 95  ? -29.310 -24.914 -21.745 1.00 15.73  ? 101 PRO B CG  1 
ATOM   833  C CD  . PRO A 1 95  ? -30.792 -24.631 -21.803 1.00 14.75  ? 101 PRO B CD  1 
ATOM   834  N N   . GLU A 1 96  ? -31.522 -26.486 -25.006 1.00 15.68  ? 102 GLU B N   1 
ATOM   835  C CA  . GLU A 1 96  ? -32.103 -27.328 -26.096 1.00 18.37  ? 102 GLU B CA  1 
ATOM   836  C C   . GLU A 1 96  ? -32.506 -26.435 -27.274 1.00 17.72  ? 102 GLU B C   1 
ATOM   837  O O   . GLU A 1 96  ? -32.417 -26.873 -28.460 1.00 19.23  ? 102 GLU B O   1 
ATOM   838  C CB  . GLU A 1 96  ? -33.267 -28.166 -25.572 1.00 22.57  ? 102 GLU B CB  1 
ATOM   839  C CG  . GLU A 1 96  ? -32.877 -29.001 -24.373 1.00 33.02  ? 102 GLU B CG  1 
ATOM   840  C CD  . GLU A 1 96  ? -33.292 -28.436 -23.017 1.00 38.52  ? 102 GLU B CD  1 
ATOM   841  O OE1 . GLU A 1 96  ? -32.497 -27.635 -22.381 1.00 25.71  ? 102 GLU B OE1 1 
ATOM   842  O OE2 . GLU A 1 96  ? -34.421 -28.847 -22.569 1.00 45.58  ? 102 GLU B OE2 1 
ATOM   843  N N   . ASN A 1 97  ? -32.981 -25.208 -27.024 1.00 15.75  ? 103 ASN B N   1 
ATOM   844  C CA  . ASN A 1 97  ? -33.379 -24.253 -28.083 1.00 15.72  ? 103 ASN B CA  1 
ATOM   845  C C   . ASN A 1 97  ? -32.220 -23.328 -28.475 1.00 14.94  ? 103 ASN B C   1 
ATOM   846  O O   . ASN A 1 97  ? -32.423 -22.476 -29.337 1.00 15.75  ? 103 ASN B O   1 
ATOM   847  C CB  . ASN A 1 97  ? -34.597 -23.417 -27.663 1.00 16.37  ? 103 ASN B CB  1 
ATOM   848  C CG  . ASN A 1 97  ? -35.882 -24.210 -27.617 1.00 18.92  ? 103 ASN B CG  1 
ATOM   849  O OD1 . ASN A 1 97  ? -35.972 -25.287 -28.242 1.00 21.18  ? 103 ASN B OD1 1 
ATOM   850  N ND2 . ASN A 1 97  ? -36.840 -23.751 -26.821 1.00 20.75  ? 103 ASN B ND2 1 
ATOM   851  N N   . GLY A 1 98  ? -30.994 -23.519 -27.973 1.00 13.28  ? 104 GLY B N   1 
ATOM   852  C CA  . GLY A 1 98  ? -29.846 -22.713 -28.395 1.00 12.79  ? 104 GLY B CA  1 
ATOM   853  C C   . GLY A 1 98  ? -29.566 -21.460 -27.577 1.00 11.71  ? 104 GLY B C   1 
ATOM   854  O O   . GLY A 1 98  ? -28.942 -20.552 -28.091 1.00 12.56  ? 104 GLY B O   1 
ATOM   855  N N   . PHE A 1 99  ? -30.031 -21.413 -26.317 1.00 12.79  ? 105 PHE B N   1 
ATOM   856  C CA  . PHE A 1 99  ? -29.844 -20.218 -25.447 1.00 11.99  ? 105 PHE B CA  1 
ATOM   857  C C   . PHE A 1 99  ? -29.170 -20.572 -24.123 1.00 11.57  ? 105 PHE B C   1 
ATOM   858  O O   . PHE A 1 99  ? -29.609 -21.596 -23.509 1.00 12.90  ? 105 PHE B O   1 
ATOM   859  C CB  . PHE A 1 99  ? -31.201 -19.573 -25.092 1.00 12.29  ? 105 PHE B CB  1 
ATOM   860  C CG  . PHE A 1 99  ? -31.988 -19.063 -26.283 1.00 11.97  ? 105 PHE B CG  1 
ATOM   861  C CD1 . PHE A 1 99  ? -32.888 -19.878 -26.931 1.00 12.78  ? 105 PHE B CD1 1 
ATOM   862  C CD2 . PHE A 1 99  ? -31.843 -17.762 -26.709 1.00 12.73  ? 105 PHE B CD2 1 
ATOM   863  C CE1 . PHE A 1 99  ? -33.614 -19.417 -28.014 1.00 13.77  ? 105 PHE B CE1 1 
ATOM   864  C CE2 . PHE A 1 99  ? -32.570 -17.295 -27.779 1.00 13.54  ? 105 PHE B CE2 1 
ATOM   865  C CZ  . PHE A 1 99  ? -33.481 -18.118 -28.388 1.00 12.65  ? 105 PHE B CZ  1 
ATOM   866  N N   . TRP A 1 100 ? -28.197 -19.763 -23.696 1.00 10.80  ? 106 TRP B N   1 
ATOM   867  C CA  . TRP A 1 100 ? -27.507 -19.868 -22.390 1.00 10.28  ? 106 TRP B CA  1 
ATOM   868  C C   . TRP A 1 100 ? -27.667 -18.522 -21.696 1.00 10.12  ? 106 TRP B C   1 
ATOM   869  O O   . TRP A 1 100 ? -26.941 -17.545 -22.025 1.00 11.65  ? 106 TRP B O   1 
ATOM   870  C CB  . TRP A 1 100 ? -26.048 -20.298 -22.571 1.00 10.12  ? 106 TRP B CB  1 
ATOM   871  C CG  . TRP A 1 100 ? -25.979 -21.672 -23.169 1.00 10.11  ? 106 TRP B CG  1 
ATOM   872  C CD1 . TRP A 1 100 ? -25.876 -22.869 -22.532 1.00 11.17  ? 106 TRP B CD1 1 
ATOM   873  C CD2 . TRP A 1 100 ? -25.987 -21.990 -24.587 1.00 11.04  ? 106 TRP B CD2 1 
ATOM   874  N NE1 . TRP A 1 100 ? -25.920 -23.908 -23.442 1.00 12.01  ? 106 TRP B NE1 1 
ATOM   875  C CE2 . TRP A 1 100 ? -25.988 -23.393 -24.703 1.00 12.25  ? 106 TRP B CE2 1 
ATOM   876  C CE3 . TRP A 1 100 ? -26.036 -21.210 -25.744 1.00 11.30  ? 106 TRP B CE3 1 
ATOM   877  C CZ2 . TRP A 1 100 ? -26.011 -24.027 -25.956 1.00 12.78  ? 106 TRP B CZ2 1 
ATOM   878  C CZ3 . TRP A 1 100 ? -26.082 -21.848 -26.971 1.00 13.26  ? 106 TRP B CZ3 1 
ATOM   879  C CH2 . TRP A 1 100 ? -26.080 -23.220 -27.065 1.00 12.31  ? 106 TRP B CH2 1 
ATOM   880  N N   . THR A 1 101 ? -28.688 -18.436 -20.822 1.00 10.56  ? 107 THR B N   1 
ATOM   881  C CA  . THR A 1 101 ? -29.203 -17.123 -20.350 1.00 11.13  ? 107 THR B CA  1 
ATOM   882  C C   . THR A 1 101 ? -29.538 -17.183 -18.846 1.00 10.61  ? 107 THR B C   1 
ATOM   883  O O   . THR A 1 101 ? -29.791 -18.269 -18.315 1.00 11.32  ? 107 THR B O   1 
ATOM   884  C CB  . THR A 1 101 ? -30.466 -16.685 -21.099 1.00 11.90  ? 107 THR B CB  1 
ATOM   885  O OG1 . THR A 1 101 ? -31.519 -17.620 -20.897 1.00 12.90  ? 107 THR B OG1 1 
ATOM   886  C CG2 . THR A 1 101 ? -30.159 -16.494 -22.569 1.00 12.30  ? 107 THR B CG2 1 
ATOM   887  N N   . ILE A 1 102 ? -29.558 -15.993 -18.243 1.00 11.12  ? 108 ILE B N   1 
ATOM   888  C CA  . ILE A 1 102 ? -30.203 -15.796 -16.911 1.00 10.97  ? 108 ILE B CA  1 
ATOM   889  C C   . ILE A 1 102 ? -31.207 -14.656 -17.081 1.00 11.67  ? 108 ILE B C   1 
ATOM   890  O O   . ILE A 1 102 ? -31.164 -13.906 -18.088 1.00 11.51  ? 108 ILE B O   1 
ATOM   891  C CB  . ILE A 1 102 ? -29.182 -15.484 -15.791 1.00 11.83  ? 108 ILE B CB  1 
ATOM   892  C CG1 . ILE A 1 102 ? -28.506 -14.125 -15.974 1.00 12.20  ? 108 ILE B CG1 1 
ATOM   893  C CG2 . ILE A 1 102 ? -28.182 -16.616 -15.670 1.00 13.26  ? 108 ILE B CG2 1 
ATOM   894  C CD1 . ILE A 1 102 ? -27.658 -13.658 -14.786 1.00 13.08  ? 108 ILE B CD1 1 
ATOM   895  N N   . TRP A 1 103 ? -32.058 -14.504 -16.084 1.00 11.94  ? 109 TRP B N   1 
ATOM   896  C CA  . TRP A 1 103 ? -33.083 -13.443 -16.159 1.00 11.65  ? 109 TRP B CA  1 
ATOM   897  C C   . TRP A 1 103 ? -33.530 -13.007 -14.787 1.00 12.38  ? 109 TRP B C   1 
ATOM   898  O O   . TRP A 1 103 ? -33.348 -13.685 -13.760 1.00 12.49  ? 109 TRP B O   1 
ATOM   899  C CB  . TRP A 1 103 ? -34.262 -13.854 -16.985 1.00 15.08  ? 109 TRP B CB  1 
ATOM   900  C CG  . TRP A 1 103 ? -35.069 -14.992 -16.480 1.00 15.98  ? 109 TRP B CG  1 
ATOM   901  C CD1 . TRP A 1 103 ? -35.959 -14.993 -15.436 1.00 16.95  ? 109 TRP B CD1 1 
ATOM   902  C CD2 . TRP A 1 103 ? -35.170 -16.266 -17.111 1.00 17.91  ? 109 TRP B CD2 1 
ATOM   903  N NE1 . TRP A 1 103 ? -36.607 -16.188 -15.384 1.00 20.38  ? 109 TRP B NE1 1 
ATOM   904  C CE2 . TRP A 1 103 ? -36.181 -16.969 -16.421 1.00 17.76  ? 109 TRP B CE2 1 
ATOM   905  C CE3 . TRP A 1 103 ? -34.568 -16.829 -18.231 1.00 18.41  ? 109 TRP B CE3 1 
ATOM   906  C CZ2 . TRP A 1 103 ? -36.514 -18.276 -16.762 1.00 20.74  ? 109 TRP B CZ2 1 
ATOM   907  C CZ3 . TRP A 1 103 ? -34.948 -18.092 -18.594 1.00 19.87  ? 109 TRP B CZ3 1 
ATOM   908  C CH2 . TRP A 1 103 ? -35.903 -18.789 -17.879 1.00 19.56  ? 109 TRP B CH2 1 
ATOM   909  N N   . LEU A 1 104 ? -34.120 -11.792 -14.795 1.00 12.79  ? 110 LEU B N   1 
ATOM   910  C CA  . LEU A 1 104 ? -34.902 -11.261 -13.675 1.00 12.01  ? 110 LEU B CA  1 
ATOM   911  C C   . LEU A 1 104 ? -36.373 -11.213 -14.062 1.00 11.94  ? 110 LEU B C   1 
ATOM   912  O O   . LEU A 1 104 ? -36.689 -10.747 -15.155 1.00 12.60  ? 110 LEU B O   1 
ATOM   913  C CB  . LEU A 1 104 ? -34.432 -9.849  -13.357 1.00 12.34  ? 110 LEU B CB  1 
ATOM   914  C CG  . LEU A 1 104 ? -35.255 -9.067  -12.332 1.00 12.43  ? 110 LEU B CG  1 
ATOM   915  C CD1 . LEU A 1 104 ? -35.267 -9.715  -10.955 1.00 13.89  ? 110 LEU B CD1 1 
ATOM   916  C CD2 . LEU A 1 104 ? -34.812 -7.623  -12.238 1.00 14.35  ? 110 LEU B CD2 1 
ATOM   917  N N   . TRP A 1 105 ? -37.236 -11.664 -13.160 1.00 13.86  ? 111 TRP B N   1 
ATOM   918  C CA  . TRP A 1 105 ? -38.693 -11.637 -13.389 1.00 14.28  ? 111 TRP B CA  1 
ATOM   919  C C   . TRP A 1 105 ? -39.379 -11.674 -12.035 1.00 16.23  ? 111 TRP B C   1 
ATOM   920  O O   . TRP A 1 105 ? -39.108 -12.606 -11.241 1.00 15.94  ? 111 TRP B O   1 
ATOM   921  C CB  . TRP A 1 105 ? -39.077 -12.850 -14.234 1.00 18.64  ? 111 TRP B CB  1 
ATOM   922  C CG  . TRP A 1 105 ? -40.529 -13.085 -14.389 1.00 22.02  ? 111 TRP B CG  1 
ATOM   923  C CD1 . TRP A 1 105 ? -41.293 -14.078 -13.823 1.00 23.23  ? 111 TRP B CD1 1 
ATOM   924  C CD2 . TRP A 1 105 ? -41.395 -12.283 -15.185 1.00 22.15  ? 111 TRP B CD2 1 
ATOM   925  N NE1 . TRP A 1 105 ? -42.580 -13.929 -14.238 1.00 22.29  ? 111 TRP B NE1 1 
ATOM   926  C CE2 . TRP A 1 105 ? -42.678 -12.854 -15.072 1.00 20.34  ? 111 TRP B CE2 1 
ATOM   927  C CE3 . TRP A 1 105 ? -41.210 -11.167 -15.993 1.00 22.11  ? 111 TRP B CE3 1 
ATOM   928  C CZ2 . TRP A 1 105 ? -43.786 -12.338 -15.730 1.00 26.37  ? 111 TRP B CZ2 1 
ATOM   929  C CZ3 . TRP A 1 105 ? -42.312 -10.620 -16.604 1.00 26.45  ? 111 TRP B CZ3 1 
ATOM   930  C CH2 . TRP A 1 105 ? -43.584 -11.187 -16.464 1.00 25.95  ? 111 TRP B CH2 1 
ATOM   931  N N   . GLN A 1 106 ? -40.288 -10.713 -11.794 1.00 14.94  ? 112 GLN B N   1 
ATOM   932  C CA  . GLN A 1 106 ? -41.085 -10.726 -10.533 1.00 15.63  ? 112 GLN B CA  1 
ATOM   933  C C   . GLN A 1 106 ? -40.186 -10.919 -9.333  1.00 16.28  ? 112 GLN B C   1 
ATOM   934  O O   . GLN A 1 106 ? -40.539 -11.769 -8.427  1.00 18.56  ? 112 GLN B O   1 
ATOM   935  C CB  . GLN A 1 106 ? -42.200 -11.770 -10.675 1.00 17.86  ? 112 GLN B CB  1 
ATOM   936  C CG  . GLN A 1 106 ? -43.133 -11.451 -11.836 1.00 19.01  ? 112 GLN B CG  1 
ATOM   937  C CD  . GLN A 1 106 ? -44.428 -12.224 -11.886 1.00 20.87  ? 112 GLN B CD  1 
ATOM   938  O OE1 . GLN A 1 106 ? -45.378 -11.849 -12.601 1.00 24.40  ? 112 GLN B OE1 1 
ATOM   939  N NE2 . GLN A 1 106 ? -44.505 -13.285 -11.115 1.00 19.53  ? 112 GLN B NE2 1 
ATOM   940  N N   . ASP A 1 107 ? -39.163 -10.096 -9.206  1.00 17.23  ? 113 ASP B N   1 
ATOM   941  C CA  . ASP A 1 107 ? -38.334 -10.023 -7.995  1.00 21.95  ? 113 ASP B CA  1 
ATOM   942  C C   . ASP A 1 107 ? -37.554 -11.328 -7.755  1.00 21.72  ? 113 ASP B C   1 
ATOM   943  O O   . ASP A 1 107 ? -36.978 -11.440 -6.661  1.00 29.30  ? 113 ASP B O   1 
ATOM   944  C CB  . ASP A 1 107 ? -39.271 -9.789  -6.804  1.00 26.64  ? 113 ASP B CB  1 
ATOM   945  C CG  . ASP A 1 107 ? -38.676 -9.046  -5.651  1.00 36.75  ? 113 ASP B CG  1 
ATOM   946  O OD1 . ASP A 1 107 ? -37.655 -8.346  -5.841  1.00 42.54  ? 113 ASP B OD1 1 
ATOM   947  O OD2 . ASP A 1 107 ? -39.278 -9.161  -4.551  1.00 51.38  ? 113 ASP B OD2 1 
ATOM   948  N N   . SER A 1 108 ? -37.461 -12.243 -8.711  1.00 18.44  ? 114 SER B N   1 
ATOM   949  C CA  . SER A 1 108 ? -36.543 -13.415 -8.567  1.00 19.57  ? 114 SER B CA  1 
ATOM   950  C C   . SER A 1 108 ? -35.623 -13.557 -9.787  1.00 17.43  ? 114 SER B C   1 
ATOM   951  O O   . SER A 1 108 ? -35.994 -13.174 -10.949 1.00 16.81  ? 114 SER B O   1 
ATOM   952  C CB  . SER A 1 108 ? -37.315 -14.651 -8.193  1.00 25.58  ? 114 SER B CB  1 
ATOM   953  O OG  . SER A 1 108 ? -37.959 -15.227 -9.289  1.00 33.32  ? 114 SER B OG  1 
ATOM   954  N N   . TYR A 1 109 ? -34.411 -14.026 -9.543  1.00 14.56  ? 115 TYR B N   1 
ATOM   955  C CA  . TYR A 1 109 ? -33.401 -14.294 -10.609 1.00 13.70  ? 115 TYR B CA  1 
ATOM   956  C C   . TYR A 1 109 ? -33.382 -15.790 -10.868 1.00 13.05  ? 115 TYR B C   1 
ATOM   957  O O   . TYR A 1 109 ? -33.376 -16.584 -9.919  1.00 13.92  ? 115 TYR B O   1 
ATOM   958  C CB  . TYR A 1 109 ? -32.032 -13.778 -10.184 1.00 13.47  ? 115 TYR B CB  1 
ATOM   959  C CG  . TYR A 1 109 ? -31.957 -12.281 -9.942  1.00 14.83  ? 115 TYR B CG  1 
ATOM   960  C CD1 . TYR A 1 109 ? -32.204 -11.736 -8.693  1.00 15.95  ? 115 TYR B CD1 1 
ATOM   961  C CD2 . TYR A 1 109 ? -31.625 -11.411 -10.960 1.00 13.27  ? 115 TYR B CD2 1 
ATOM   962  C CE1 . TYR A 1 109 ? -32.102 -10.370 -8.462  1.00 15.63  ? 115 TYR B CE1 1 
ATOM   963  C CE2 . TYR A 1 109 ? -31.548 -10.040 -10.746 1.00 13.60  ? 115 TYR B CE2 1 
ATOM   964  C CZ  . TYR A 1 109 ? -31.788 -9.525  -9.490  1.00 14.72  ? 115 TYR B CZ  1 
ATOM   965  O OH  . TYR A 1 109 ? -31.791 -8.178  -9.247  1.00 15.82  ? 115 TYR B OH  1 
ATOM   966  N N   A GLU A 1 110 ? -33.365 -16.197 -12.141 0.25 13.31  ? 116 GLU B N   1 
ATOM   967  N N   B GLU A 1 110 ? -33.363 -16.169 -12.149 0.25 13.10  ? 116 GLU B N   1 
ATOM   968  C CA  A GLU A 1 110 ? -33.341 -17.634 -12.529 0.25 14.03  ? 116 GLU B CA  1 
ATOM   969  C CA  B GLU A 1 110 ? -33.371 -17.584 -12.607 0.25 13.65  ? 116 GLU B CA  1 
ATOM   970  C C   A GLU A 1 110 ? -32.439 -17.858 -13.745 0.25 12.83  ? 116 GLU B C   1 
ATOM   971  C C   B GLU A 1 110 ? -32.289 -17.784 -13.682 0.25 12.28  ? 116 GLU B C   1 
ATOM   972  O O   A GLU A 1 110 ? -32.408 -17.010 -14.641 0.25 12.80  ? 116 GLU B O   1 
ATOM   973  O O   B GLU A 1 110 ? -31.912 -16.807 -14.384 0.25 11.13  ? 116 GLU B O   1 
ATOM   974  C CB  A GLU A 1 110 ? -34.740 -18.148 -12.846 0.25 15.46  ? 116 GLU B CB  1 
ATOM   975  C CB  B GLU A 1 110 ? -34.750 -17.972 -13.140 0.25 15.04  ? 116 GLU B CB  1 
ATOM   976  C CG  A GLU A 1 110 ? -35.692 -18.062 -11.661 0.25 17.60  ? 116 GLU B CG  1 
ATOM   977  C CG  B GLU A 1 110 ? -35.883 -17.803 -12.130 0.25 17.52  ? 116 GLU B CG  1 
ATOM   978  C CD  A GLU A 1 110 ? -37.120 -18.407 -12.039 0.25 20.15  ? 116 GLU B CD  1 
ATOM   979  C CD  B GLU A 1 110 ? -36.060 -18.970 -11.165 0.25 19.01  ? 116 GLU B CD  1 
ATOM   980  O OE1 A GLU A 1 110 ? -37.527 -18.042 -13.159 0.25 22.09  ? 116 GLU B OE1 1 
ATOM   981  O OE1 B GLU A 1 110 ? -35.649 -20.095 -11.494 0.25 22.97  ? 116 GLU B OE1 1 
ATOM   982  O OE2 A GLU A 1 110 ? -37.823 -19.045 -11.218 0.25 20.44  ? 116 GLU B OE2 1 
ATOM   983  O OE2 B GLU A 1 110 ? -36.646 -18.750 -10.103 0.25 24.35  ? 116 GLU B OE2 1 
ATOM   984  N N   . ALA A 1 111 ? -31.780 -19.017 -13.785 1.00 12.73  ? 117 ALA B N   1 
ATOM   985  C CA  . ALA A 1 111 ? -31.025 -19.448 -14.968 1.00 12.66  ? 117 ALA B CA  1 
ATOM   986  C C   . ALA A 1 111 ? -31.942 -20.212 -15.909 1.00 13.42  ? 117 ALA B C   1 
ATOM   987  O O   . ALA A 1 111 ? -32.797 -21.020 -15.497 1.00 12.81  ? 117 ALA B O   1 
ATOM   988  C CB  . ALA A 1 111 ? -29.854 -20.304 -14.573 1.00 13.30  ? 117 ALA B CB  1 
ATOM   989  N N   . GLY A 1 112 ? -31.806 -19.921 -17.213 1.00 12.74  ? 118 GLY B N   1 
ATOM   990  C CA  . GLY A 1 112 ? -32.586 -20.525 -18.304 1.00 13.28  ? 118 GLY B CA  1 
ATOM   991  C C   . GLY A 1 112 ? -32.232 -21.963 -18.615 1.00 14.13  ? 118 GLY B C   1 
ATOM   992  O O   . GLY A 1 112 ? -31.966 -22.299 -19.739 1.00 15.64  ? 118 GLY B O   1 
ATOM   993  N N   . THR A 1 113 ? -32.215 -22.823 -17.624 1.00 15.79  ? 119 THR B N   1 
ATOM   994  C CA  . THR A 1 113 ? -32.218 -24.274 -17.830 1.00 16.75  ? 119 THR B CA  1 
ATOM   995  C C   . THR A 1 113 ? -33.656 -24.742 -18.086 1.00 16.78  ? 119 THR B C   1 
ATOM   996  O O   . THR A 1 113 ? -34.593 -23.960 -17.914 1.00 20.28  ? 119 THR B O   1 
ATOM   997  C CB  . THR A 1 113 ? -31.582 -24.891 -16.600 1.00 14.21  ? 119 THR B CB  1 
ATOM   998  O OG1 . THR A 1 113 ? -32.260 -24.451 -15.407 1.00 15.12  ? 119 THR B OG1 1 
ATOM   999  C CG2 . THR A 1 113 ? -30.114 -24.632 -16.446 1.00 16.52  ? 119 THR B CG2 1 
ATOM   1000 N N   . SER A 1 114 ? -33.844 -26.024 -18.432 1.00 19.94  ? 120 SER B N   1 
ATOM   1001 C CA  . SER A 1 114 ? -35.184 -26.623 -18.594 1.00 24.03  ? 120 SER B CA  1 
ATOM   1002 C C   . SER A 1 114 ? -35.337 -27.812 -17.644 1.00 24.80  ? 120 SER B C   1 
ATOM   1003 O O   . SER A 1 114 ? -34.671 -28.836 -17.796 1.00 26.99  ? 120 SER B O   1 
ATOM   1004 C CB  . SER A 1 114 ? -35.440 -27.042 -20.031 1.00 30.10  ? 120 SER B CB  1 
ATOM   1005 O OG  . SER A 1 114 ? -36.803 -27.446 -20.150 1.00 31.94  ? 120 SER B OG  1 
ATOM   1006 N N   . PRO A 1 115 ? -36.104 -27.671 -16.550 1.00 23.36  ? 121 PRO B N   1 
ATOM   1007 C CA  . PRO A 1 115 ? -36.765 -26.428 -16.175 1.00 23.65  ? 121 PRO B CA  1 
ATOM   1008 C C   . PRO A 1 115 ? -35.800 -25.424 -15.519 1.00 19.78  ? 121 PRO B C   1 
ATOM   1009 O O   . PRO A 1 115 ? -34.657 -25.773 -15.228 1.00 18.54  ? 121 PRO B O   1 
ATOM   1010 C CB  . PRO A 1 115 ? -37.800 -26.892 -15.152 1.00 27.52  ? 121 PRO B CB  1 
ATOM   1011 C CG  . PRO A 1 115 ? -37.126 -28.049 -14.466 1.00 26.53  ? 121 PRO B CG  1 
ATOM   1012 C CD  . PRO A 1 115 ? -36.295 -28.735 -15.537 1.00 25.59  ? 121 PRO B CD  1 
ATOM   1013 N N   . GLN A 1 116 ? -36.272 -24.206 -15.315 1.00 20.26  ? 122 GLN B N   1 
ATOM   1014 C CA  . GLN A 1 116 ? -35.431 -23.075 -14.865 1.00 18.24  ? 122 GLN B CA  1 
ATOM   1015 C C   . GLN A 1 116 ? -34.874 -23.355 -13.461 1.00 16.31  ? 122 GLN B C   1 
ATOM   1016 O O   . GLN A 1 116 ? -35.521 -24.087 -12.674 1.00 17.33  ? 122 GLN B O   1 
ATOM   1017 C CB  . GLN A 1 116 ? -36.154 -21.730 -14.955 1.00 23.25  ? 122 GLN B CB  1 
ATOM   1018 C CG  . GLN A 1 116 ? -37.234 -21.506 -13.923 1.00 31.35  ? 122 GLN B CG  1 
ATOM   1019 C CD  . GLN A 1 116 ? -38.599 -21.783 -14.497 1.00 43.55  ? 122 GLN B CD  1 
ATOM   1020 O OE1 . GLN A 1 116 ? -38.806 -22.729 -15.269 1.00 50.24  ? 122 GLN B OE1 1 
ATOM   1021 N NE2 . GLN A 1 116 ? -39.556 -20.981 -14.066 1.00 52.58  ? 122 GLN B NE2 1 
ATOM   1022 N N   . THR A 1 117 ? -33.726 -22.763 -13.163 1.00 14.02  ? 123 THR B N   1 
ATOM   1023 C CA  . THR A 1 117 ? -33.022 -22.936 -11.882 1.00 13.08  ? 123 THR B CA  1 
ATOM   1024 C C   . THR A 1 117 ? -33.066 -21.637 -11.090 1.00 12.73  ? 123 THR B C   1 
ATOM   1025 O O   . THR A 1 117 ? -32.600 -20.586 -11.572 1.00 14.43  ? 123 THR B O   1 
ATOM   1026 C CB  . THR A 1 117 ? -31.589 -23.402 -12.143 1.00 13.44  ? 123 THR B CB  1 
ATOM   1027 O OG1 . THR A 1 117 ? -31.671 -24.639 -12.853 1.00 14.99  ? 123 THR B OG1 1 
ATOM   1028 C CG2 . THR A 1 117 ? -30.832 -23.581 -10.856 1.00 14.34  ? 123 THR B CG2 1 
ATOM   1029 N N   . THR A 1 118 ? -33.446 -21.703 -9.810  1.00 14.14  ? 124 THR B N   1 
ATOM   1030 C CA  . THR A 1 118 ? -33.393 -20.565 -8.883  1.00 14.99  ? 124 THR B CA  1 
ATOM   1031 C C   . THR A 1 118 ? -31.967 -20.092 -8.638  1.00 13.79  ? 124 THR B C   1 
ATOM   1032 O O   . THR A 1 118 ? -31.063 -20.955 -8.326  1.00 17.09  ? 124 THR B O   1 
ATOM   1033 C CB  . THR A 1 118 ? -34.033 -21.021 -7.561  1.00 17.63  ? 124 THR B CB  1 
ATOM   1034 O OG1 . THR A 1 118 ? -35.391 -21.327 -7.841  1.00 20.89  ? 124 THR B OG1 1 
ATOM   1035 C CG2 . THR A 1 118 ? -33.857 -19.986 -6.485  1.00 20.56  ? 124 THR B CG2 1 
ATOM   1036 N N   . LEU A 1 119 ? -31.709 -18.792 -8.731  1.00 12.86  ? 125 LEU B N   1 
ATOM   1037 C CA  . LEU A 1 119 ? -30.393 -18.184 -8.427  1.00 12.85  ? 125 LEU B CA  1 
ATOM   1038 C C   . LEU A 1 119 ? -30.464 -17.606 -7.010  1.00 15.36  ? 125 LEU B C   1 
ATOM   1039 O O   . LEU A 1 119 ? -31.585 -17.347 -6.520  1.00 18.92  ? 125 LEU B O   1 
ATOM   1040 C CB  . LEU A 1 119 ? -29.998 -17.112 -9.456  1.00 13.28  ? 125 LEU B CB  1 
ATOM   1041 C CG  . LEU A 1 119 ? -29.915 -17.645 -10.888 1.00 12.98  ? 125 LEU B CG  1 
ATOM   1042 C CD1 . LEU A 1 119 ? -29.681 -16.541 -11.903 1.00 13.33  ? 125 LEU B CD1 1 
ATOM   1043 C CD2 . LEU A 1 119 ? -28.828 -18.722 -11.007 1.00 14.86  ? 125 LEU B CD2 1 
ATOM   1044 N N   . HIS A 1 120 ? -29.328 -17.493 -6.361  1.00 14.75  ? 126 HIS B N   1 
ATOM   1045 C CA  . HIS A 1 120 ? -29.239 -17.010 -4.956  1.00 15.46  ? 126 HIS B CA  1 
ATOM   1046 C C   . HIS A 1 120 ? -28.399 -15.744 -5.003  1.00 16.48  ? 126 HIS B C   1 
ATOM   1047 O O   . HIS A 1 120 ? -27.157 -15.838 -5.030  1.00 22.57  ? 126 HIS B O   1 
ATOM   1048 C CB  . HIS A 1 120 ? -28.578 -18.098 -4.080  1.00 16.90  ? 126 HIS B CB  1 
ATOM   1049 C CG  . HIS A 1 120 ? -29.350 -19.382 -4.029  1.00 18.87  ? 126 HIS B CG  1 
ATOM   1050 N ND1 . HIS A 1 120 ? -29.061 -20.482 -4.860  1.00 22.55  ? 126 HIS B ND1 1 
ATOM   1051 C CD2 . HIS A 1 120 ? -30.457 -19.719 -3.341  1.00 21.96  ? 126 HIS B CD2 1 
ATOM   1052 C CE1 . HIS A 1 120 ? -29.973 -21.435 -4.640  1.00 23.58  ? 126 HIS B CE1 1 
ATOM   1053 N NE2 . HIS A 1 120 ? -30.809 -21.009 -3.680  1.00 21.30  ? 126 HIS B NE2 1 
ATOM   1054 N N   . ILE A 1 121 ? -29.013 -14.589 -5.071  1.00 19.57  ? 127 ILE B N   1 
ATOM   1055 C CA  . ILE A 1 121 ? -28.307 -13.294 -5.193  1.00 21.46  ? 127 ILE B CA  1 
ATOM   1056 C C   . ILE A 1 121 ? -28.702 -12.441 -3.954  1.00 21.23  ? 127 ILE B C   1 
ATOM   1057 O O   . ILE A 1 121 ? -29.886 -12.192 -3.743  1.00 28.69  ? 127 ILE B O   1 
ATOM   1058 C CB  . ILE A 1 121 ? -28.638 -12.633 -6.549  1.00 23.86  ? 127 ILE B CB  1 
ATOM   1059 C CG1 . ILE A 1 121 ? -28.306 -13.545 -7.745  1.00 20.65  ? 127 ILE B CG1 1 
ATOM   1060 C CG2 . ILE A 1 121 ? -27.881 -11.321 -6.625  1.00 28.62  ? 127 ILE B CG2 1 
ATOM   1061 C CD1 . ILE A 1 121 ? -28.446 -12.881 -9.096  1.00 22.21  ? 127 ILE B CD1 1 
ATOM   1062 N N   . GLN A 1 122 ? -27.730 -12.115 -3.123  1.00 26.43  ? 128 GLN B N   1 
ATOM   1063 C CA  . GLN A 1 122 ? -27.970 -11.313 -1.884  1.00 29.39  ? 128 GLN B CA  1 
ATOM   1064 C C   . GLN A 1 122 ? -27.955 -9.813  -2.231  1.00 26.77  ? 128 GLN B C   1 
ATOM   1065 O O   . GLN A 1 122 ? -28.749 -9.051  -1.632  1.00 26.91  ? 128 GLN B O   1 
ATOM   1066 C CB  . GLN A 1 122 ? -26.901 -11.706 -0.855  1.00 32.87  ? 128 GLN B CB  1 
ATOM   1067 C CG  . GLN A 1 122 ? -26.895 -10.855 0.418   1.00 45.31  ? 128 GLN B CG  1 
ATOM   1068 C CD  . GLN A 1 122 ? -28.142 -10.987 1.270   1.00 51.20  ? 128 GLN B CD  1 
ATOM   1069 O OE1 . GLN A 1 122 ? -28.922 -11.932 1.149   1.00 57.79  ? 128 GLN B OE1 1 
ATOM   1070 N NE2 . GLN A 1 122 ? -28.354 -10.013 2.145   1.00 56.15  ? 128 GLN B NE2 1 
ATOM   1071 N N   . VAL A 1 123 ? -27.158 -9.423  -3.222  1.00 22.39  ? 129 VAL B N   1 
ATOM   1072 C CA  . VAL A 1 123 ? -26.967 -7.989  -3.629  1.00 20.02  ? 129 VAL B CA  1 
ATOM   1073 C C   . VAL A 1 123 ? -27.532 -7.804  -5.036  1.00 21.06  ? 129 VAL B C   1 
ATOM   1074 O O   . VAL A 1 123 ? -26.922 -8.321  -5.971  1.00 20.09  ? 129 VAL B O   1 
ATOM   1075 C CB  . VAL A 1 123 ? -25.485 -7.595  -3.576  1.00 22.70  ? 129 VAL B CB  1 
ATOM   1076 C CG1 . VAL A 1 123 ? -25.230 -6.179  -4.100  1.00 23.00  ? 129 VAL B CG1 1 
ATOM   1077 C CG2 . VAL A 1 123 ? -24.943 -7.723  -2.155  1.00 25.61  ? 129 VAL B CG2 1 
ATOM   1078 N N   . PRO A 1 124 ? -28.761 -7.267  -5.233  1.00 20.54  ? 130 PRO B N   1 
ATOM   1079 C CA  . PRO A 1 124 ? -29.348 -7.155  -6.574  1.00 19.88  ? 130 PRO B CA  1 
ATOM   1080 C C   . PRO A 1 124 ? -28.356 -6.475  -7.496  1.00 19.20  ? 130 PRO B C   1 
ATOM   1081 O O   . PRO A 1 124 ? -27.865 -5.401  -7.209  1.00 18.44  ? 130 PRO B O   1 
ATOM   1082 C CB  . PRO A 1 124 ? -30.617 -6.307  -6.325  1.00 24.75  ? 130 PRO B CB  1 
ATOM   1083 C CG  . PRO A 1 124 ? -31.018 -6.735  -4.902  1.00 24.81  ? 130 PRO B CG  1 
ATOM   1084 C CD  . PRO A 1 124 ? -29.716 -6.846  -4.178  1.00 23.74  ? 130 PRO B CD  1 
ATOM   1085 N N   . PRO A 1 125 ? -27.962 -7.080  -8.632  1.00 17.58  ? 131 PRO B N   1 
ATOM   1086 C CA  . PRO A 1 125 ? -26.948 -6.476  -9.480  1.00 17.15  ? 131 PRO B CA  1 
ATOM   1087 C C   . PRO A 1 125 ? -27.428 -5.248  -10.267 1.00 15.65  ? 131 PRO B C   1 
ATOM   1088 O O   . PRO A 1 125 ? -28.566 -5.274  -10.761 1.00 16.74  ? 131 PRO B O   1 
ATOM   1089 C CB  . PRO A 1 125 ? -26.527 -7.625  -10.415 1.00 18.09  ? 131 PRO B CB  1 
ATOM   1090 C CG  . PRO A 1 125 ? -27.627 -8.617  -10.350 1.00 19.32  ? 131 PRO B CG  1 
ATOM   1091 C CD  . PRO A 1 125 ? -28.301 -8.457  -9.015  1.00 17.18  ? 131 PRO B CD  1 
ATOM   1092 N N   . CYS A 1 126 ? -26.574 -4.236  -10.377 1.00 16.65  ? 132 CYS B N   1 
ATOM   1093 C CA  . CYS A 1 126 ? -26.781 -3.126  -11.338 1.00 16.76  ? 132 CYS B CA  1 
ATOM   1094 C C   . CYS A 1 126 ? -26.010 -3.397  -12.632 1.00 15.61  ? 132 CYS B C   1 
ATOM   1095 O O   . CYS A 1 126 ? -26.343 -2.814  -13.665 1.00 14.38  ? 132 CYS B O   1 
ATOM   1096 C CB  . CYS A 1 126 ? -26.383 -1.780  -10.759 1.00 20.09  ? 132 CYS B CB  1 
ATOM   1097 S SG  . CYS A 1 126 ? -27.431 -1.348  -9.338  1.00 28.04  ? 132 CYS B SG  1 
ATOM   1098 N N   A GLN A 1 127 ? -24.946 -4.216  -12.595 0.25 15.50  ? 133 GLN B N   1 
ATOM   1099 N N   B GLN A 1 127 ? -25.046 -4.320  -12.568 0.25 15.77  ? 133 GLN B N   1 
ATOM   1100 C CA  A GLN A 1 127 ? -24.186 -4.614  -13.817 0.25 15.80  ? 133 GLN B CA  1 
ATOM   1101 C CA  B GLN A 1 127 ? -24.170 -4.659  -13.713 0.25 16.84  ? 133 GLN B CA  1 
ATOM   1102 C C   A GLN A 1 127 ? -23.807 -6.097  -13.712 0.25 15.37  ? 133 GLN B C   1 
ATOM   1103 C C   B GLN A 1 127 ? -23.905 -6.169  -13.670 0.25 15.95  ? 133 GLN B C   1 
ATOM   1104 O O   A GLN A 1 127 ? -23.406 -6.540  -12.616 0.25 13.78  ? 133 GLN B O   1 
ATOM   1105 O O   B GLN A 1 127 ? -23.771 -6.743  -12.565 0.25 14.08  ? 133 GLN B O   1 
ATOM   1106 C CB  A GLN A 1 127 ? -22.900 -3.818  -14.082 0.25 17.62  ? 133 GLN B CB  1 
ATOM   1107 C CB  B GLN A 1 127 ? -22.890 -3.822  -13.689 0.25 19.97  ? 133 GLN B CB  1 
ATOM   1108 C CG  A GLN A 1 127 ? -23.095 -2.330  -14.335 0.25 18.98  ? 133 GLN B CG  1 
ATOM   1109 C CG  B GLN A 1 127 ? -23.123 -2.338  -13.933 0.25 22.24  ? 133 GLN B CG  1 
ATOM   1110 C CD  A GLN A 1 127 ? -23.047 -1.573  -13.033 0.25 20.68  ? 133 GLN B CD  1 
ATOM   1111 C CD  B GLN A 1 127 ? -21.844 -1.579  -14.188 0.25 24.03  ? 133 GLN B CD  1 
ATOM   1112 O OE1 A GLN A 1 127 ? -22.334 -1.953  -12.108 0.25 20.20  ? 133 GLN B OE1 1 
ATOM   1113 O OE1 B GLN A 1 127 ? -20.763 -2.152  -14.312 0.25 28.64  ? 133 GLN B OE1 1 
ATOM   1114 N NE2 A GLN A 1 127 ? -23.840 -0.514  -12.945 0.25 21.18  ? 133 GLN B NE2 1 
ATOM   1115 N NE2 B GLN A 1 127 ? -21.960 -0.270  -14.271 0.25 26.58  ? 133 GLN B NE2 1 
ATOM   1116 N N   . ILE A 1 128 ? -23.934 -6.795  -14.846 1.00 14.61  ? 134 ILE B N   1 
ATOM   1117 C CA  . ILE A 1 128 ? -23.766 -8.260  -14.991 1.00 13.81  ? 134 ILE B CA  1 
ATOM   1118 C C   . ILE A 1 128 ? -22.558 -8.432  -15.914 1.00 14.59  ? 134 ILE B C   1 
ATOM   1119 O O   . ILE A 1 128 ? -22.491 -7.821  -17.028 1.00 13.50  ? 134 ILE B O   1 
ATOM   1120 C CB  . ILE A 1 128 ? -25.024 -8.902  -15.594 1.00 15.25  ? 134 ILE B CB  1 
ATOM   1121 C CG1 . ILE A 1 128 ? -26.316 -8.729  -14.784 1.00 17.93  ? 134 ILE B CG1 1 
ATOM   1122 C CG2 . ILE A 1 128 ? -24.748 -10.371 -15.898 1.00 15.44  ? 134 ILE B CG2 1 
ATOM   1123 C CD1 . ILE A 1 128 ? -26.313 -9.447  -13.543 1.00 17.39  ? 134 ILE B CD1 1 
ATOM   1124 N N   . GLY A 1 129 ? -21.613 -9.282  -15.534 1.00 14.64  ? 135 GLY B N   1 
ATOM   1125 C CA  . GLY A 1 129 ? -20.534 -9.723  -16.422 1.00 13.94  ? 135 GLY B CA  1 
ATOM   1126 C C   . GLY A 1 129 ? -20.822 -11.096 -16.989 1.00 13.49  ? 135 GLY B C   1 
ATOM   1127 O O   . GLY A 1 129 ? -21.349 -11.972 -16.315 1.00 13.85  ? 135 GLY B O   1 
ATOM   1128 N N   . ILE A 1 130 ? -20.611 -11.233 -18.305 1.00 13.38  ? 136 ILE B N   1 
ATOM   1129 C CA  . ILE A 1 130 ? -20.829 -12.500 -19.043 1.00 12.77  ? 136 ILE B CA  1 
ATOM   1130 C C   . ILE A 1 130 ? -19.510 -12.985 -19.637 1.00 13.99  ? 136 ILE B C   1 
ATOM   1131 O O   . ILE A 1 130 ? -18.833 -12.230 -20.319 1.00 14.02  ? 136 ILE B O   1 
ATOM   1132 C CB  . ILE A 1 130 ? -21.882 -12.275 -20.142 1.00 13.75  ? 136 ILE B CB  1 
ATOM   1133 C CG1 . ILE A 1 130 ? -23.184 -11.773 -19.528 1.00 15.78  ? 136 ILE B CG1 1 
ATOM   1134 C CG2 . ILE A 1 130 ? -22.105 -13.547 -20.971 1.00 14.49  ? 136 ILE B CG2 1 
ATOM   1135 C CD1 . ILE A 1 130 ? -24.204 -11.397 -20.501 1.00 19.41  ? 136 ILE B CD1 1 
ATOM   1136 N N   . PHE A 1 131 ? -19.161 -14.214 -19.327 1.00 13.55  ? 137 PHE B N   1 
ATOM   1137 C CA  . PHE A 1 131 ? -17.896 -14.861 -19.754 1.00 13.28  ? 137 PHE B CA  1 
ATOM   1138 C C   . PHE A 1 131 ? -18.252 -16.098 -20.559 1.00 12.80  ? 137 PHE B C   1 
ATOM   1139 O O   . PHE A 1 131 ? -19.010 -16.948 -20.110 1.00 13.70  ? 137 PHE B O   1 
ATOM   1140 C CB  . PHE A 1 131 ? -17.053 -15.291 -18.563 1.00 15.05  ? 137 PHE B CB  1 
ATOM   1141 C CG  . PHE A 1 131 ? -15.787 -16.028 -18.939 1.00 14.69  ? 137 PHE B CG  1 
ATOM   1142 C CD1 . PHE A 1 131 ? -14.782 -15.402 -19.651 1.00 16.58  ? 137 PHE B CD1 1 
ATOM   1143 C CD2 . PHE A 1 131 ? -15.614 -17.352 -18.592 1.00 16.84  ? 137 PHE B CD2 1 
ATOM   1144 C CE1 . PHE A 1 131 ? -13.608 -16.089 -19.962 1.00 19.52  ? 137 PHE B CE1 1 
ATOM   1145 C CE2 . PHE A 1 131 ? -14.461 -18.049 -18.940 1.00 18.30  ? 137 PHE B CE2 1 
ATOM   1146 C CZ  . PHE A 1 131 ? -13.460 -17.410 -19.609 1.00 17.89  ? 137 PHE B CZ  1 
ATOM   1147 N N   . VAL A 1 132 ? -17.687 -16.208 -21.764 1.00 13.05  ? 138 VAL B N   1 
ATOM   1148 C CA  . VAL A 1 132 ? -17.839 -17.405 -22.626 1.00 13.36  ? 138 VAL B CA  1 
ATOM   1149 C C   . VAL A 1 132 ? -16.454 -17.997 -22.899 1.00 12.63  ? 138 VAL B C   1 
ATOM   1150 O O   . VAL A 1 132 ? -15.582 -17.298 -23.380 1.00 15.04  ? 138 VAL B O   1 
ATOM   1151 C CB  . VAL A 1 132 ? -18.561 -17.079 -23.938 1.00 13.22  ? 138 VAL B CB  1 
ATOM   1152 C CG1 . VAL A 1 132 ? -18.711 -18.329 -24.799 1.00 14.90  ? 138 VAL B CG1 1 
ATOM   1153 C CG2 . VAL A 1 132 ? -19.907 -16.454 -23.624 1.00 14.35  ? 138 VAL B CG2 1 
ATOM   1154 N N   . ASP A 1 133 ? -16.295 -19.277 -22.608 1.00 13.24  ? 139 ASP B N   1 
ATOM   1155 C CA  . ASP A 1 133 ? -15.107 -20.062 -23.058 1.00 14.66  ? 139 ASP B CA  1 
ATOM   1156 C C   . ASP A 1 133 ? -15.622 -21.081 -24.069 1.00 13.00  ? 139 ASP B C   1 
ATOM   1157 O O   . ASP A 1 133 ? -16.255 -22.091 -23.700 1.00 13.62  ? 139 ASP B O   1 
ATOM   1158 C CB  . ASP A 1 133 ? -14.361 -20.672 -21.894 1.00 14.37  ? 139 ASP B CB  1 
ATOM   1159 C CG  . ASP A 1 133 ? -13.087 -21.399 -22.288 1.00 17.82  ? 139 ASP B CG  1 
ATOM   1160 O OD1 . ASP A 1 133 ? -12.976 -21.857 -23.468 1.00 18.05  ? 139 ASP B OD1 1 
ATOM   1161 O OD2 . ASP A 1 133 ? -12.283 -21.583 -21.334 1.00 21.94  ? 139 ASP B OD2 1 
ATOM   1162 N N   . TYR A 1 134 ? -15.397 -20.786 -25.360 1.00 13.99  ? 140 TYR B N   1 
ATOM   1163 C CA  . TYR A 1 134 ? -15.945 -21.612 -26.452 1.00 14.14  ? 140 TYR B CA  1 
ATOM   1164 C C   . TYR A 1 134 ? -15.420 -23.061 -26.383 1.00 15.34  ? 140 TYR B C   1 
ATOM   1165 O O   . TYR A 1 134 ? -16.193 -24.011 -26.340 1.00 17.11  ? 140 TYR B O   1 
ATOM   1166 C CB  . TYR A 1 134 ? -15.690 -20.986 -27.830 1.00 14.42  ? 140 TYR B CB  1 
ATOM   1167 C CG  . TYR A 1 134 ? -16.626 -21.577 -28.868 1.00 14.23  ? 140 TYR B CG  1 
ATOM   1168 C CD1 . TYR A 1 134 ? -16.475 -22.868 -29.349 1.00 14.99  ? 140 TYR B CD1 1 
ATOM   1169 C CD2 . TYR A 1 134 ? -17.791 -20.917 -29.254 1.00 14.67  ? 140 TYR B CD2 1 
ATOM   1170 C CE1 . TYR A 1 134 ? -17.359 -23.441 -30.242 1.00 15.50  ? 140 TYR B CE1 1 
ATOM   1171 C CE2 . TYR A 1 134 ? -18.678 -21.471 -30.154 1.00 13.92  ? 140 TYR B CE2 1 
ATOM   1172 C CZ  . TYR A 1 134 ? -18.480 -22.755 -30.650 1.00 14.44  ? 140 TYR B CZ  1 
ATOM   1173 O OH  . TYR A 1 134 ? -19.362 -23.365 -31.491 1.00 14.67  ? 140 TYR B OH  1 
ATOM   1174 N N   . GLU A 1 135 ? -14.114 -23.200 -26.258 1.00 17.80  ? 141 GLU B N   1 
ATOM   1175 C CA  . GLU A 1 135 ? -13.498 -24.547 -26.296 1.00 18.10  ? 141 GLU B CA  1 
ATOM   1176 C C   . GLU A 1 135 ? -13.909 -25.356 -25.081 1.00 16.80  ? 141 GLU B C   1 
ATOM   1177 O O   . GLU A 1 135 ? -14.209 -26.540 -25.233 1.00 19.86  ? 141 GLU B O   1 
ATOM   1178 C CB  . GLU A 1 135 ? -11.989 -24.435 -26.433 1.00 18.94  ? 141 GLU B CB  1 
ATOM   1179 C CG  . GLU A 1 135 ? -11.580 -24.298 -27.908 1.00 25.91  ? 141 GLU B CG  1 
ATOM   1180 C CD  . GLU A 1 135 ? -11.913 -22.953 -28.452 1.00 28.90  ? 141 GLU B CD  1 
ATOM   1181 O OE1 . GLU A 1 135 ? -12.151 -22.866 -29.616 1.00 27.38  ? 141 GLU B OE1 1 
ATOM   1182 O OE2 . GLU A 1 135 ? -11.944 -21.985 -27.653 1.00 33.62  ? 141 GLU B OE2 1 
ATOM   1183 N N   . ALA A 1 136 ? -13.964 -24.747 -23.900 1.00 15.87  ? 142 ALA B N   1 
ATOM   1184 C CA  . ALA A 1 136 ? -14.340 -25.429 -22.657 1.00 16.54  ? 142 ALA B CA  1 
ATOM   1185 C C   . ALA A 1 136 ? -15.843 -25.737 -22.590 1.00 16.31  ? 142 ALA B C   1 
ATOM   1186 O O   . ALA A 1 136 ? -16.245 -26.619 -21.797 1.00 19.56  ? 142 ALA B O   1 
ATOM   1187 C CB  . ALA A 1 136 ? -13.940 -24.559 -21.488 1.00 18.05  ? 142 ALA B CB  1 
ATOM   1188 N N   . GLY A 1 137 ? -16.688 -25.094 -23.393 1.00 14.39  ? 143 GLY B N   1 
ATOM   1189 C CA  . GLY A 1 137 ? -18.135 -25.258 -23.281 1.00 13.61  ? 143 GLY B CA  1 
ATOM   1190 C C   . GLY A 1 137 ? -18.688 -24.623 -22.000 1.00 13.34  ? 143 GLY B C   1 
ATOM   1191 O O   . GLY A 1 137 ? -19.475 -25.310 -21.328 1.00 14.22  ? 143 GLY B O   1 
ATOM   1192 N N   . VAL A 1 138 ? -18.298 -23.391 -21.706 1.00 13.47  ? 144 VAL B N   1 
ATOM   1193 C CA  . VAL A 1 138 ? -18.680 -22.696 -20.433 1.00 13.01  ? 144 VAL B CA  1 
ATOM   1194 C C   . VAL A 1 138 ? -19.296 -21.334 -20.745 1.00 12.80  ? 144 VAL B C   1 
ATOM   1195 O O   . VAL A 1 138 ? -18.722 -20.527 -21.533 1.00 13.81  ? 144 VAL B O   1 
ATOM   1196 C CB  . VAL A 1 138 ? -17.434 -22.529 -19.551 1.00 14.29  ? 144 VAL B CB  1 
ATOM   1197 C CG1 . VAL A 1 138 ? -17.741 -21.601 -18.362 1.00 15.30  ? 144 VAL B CG1 1 
ATOM   1198 C CG2 . VAL A 1 138 ? -16.976 -23.912 -19.097 1.00 15.28  ? 144 VAL B CG2 1 
ATOM   1199 N N   . VAL A 1 139 ? -20.410 -21.030 -20.079 1.00 12.13  ? 145 VAL B N   1 
ATOM   1200 C CA  . VAL A 1 139 ? -20.948 -19.643 -20.010 1.00 11.41  ? 145 VAL B CA  1 
ATOM   1201 C C   . VAL A 1 139 ? -21.145 -19.307 -18.522 1.00 11.55  ? 145 VAL B C   1 
ATOM   1202 O O   . VAL A 1 139 ? -21.945 -20.025 -17.872 1.00 13.11  ? 145 VAL B O   1 
ATOM   1203 C CB  . VAL A 1 139 ? -22.279 -19.504 -20.775 1.00 11.38  ? 145 VAL B CB  1 
ATOM   1204 C CG1 . VAL A 1 139 ? -22.718 -18.038 -20.758 1.00 11.47  ? 145 VAL B CG1 1 
ATOM   1205 C CG2 . VAL A 1 139 ? -22.144 -20.035 -22.187 1.00 12.18  ? 145 VAL B CG2 1 
ATOM   1206 N N   . SER A 1 140 ? -20.538 -18.228 -18.052 1.00 11.26  ? 146 SER B N   1 
ATOM   1207 C CA  . SER A 1 140 ? -20.625 -17.846 -16.629 1.00 11.89  ? 146 SER B CA  1 
ATOM   1208 C C   . SER A 1 140 ? -21.086 -16.397 -16.528 1.00 12.19  ? 146 SER B C   1 
ATOM   1209 O O   . SER A 1 140 ? -20.782 -15.557 -17.372 1.00 13.91  ? 146 SER B O   1 
ATOM   1210 C CB  . SER A 1 140 ? -19.263 -18.025 -15.962 1.00 12.86  ? 146 SER B CB  1 
ATOM   1211 O OG  . SER A 1 140 ? -18.927 -19.399 -15.829 1.00 14.07  ? 146 SER B OG  1 
ATOM   1212 N N   . PHE A 1 141 ? -21.775 -16.122 -15.432 1.00 11.58  ? 147 PHE B N   1 
ATOM   1213 C CA  . PHE A 1 141 ? -22.393 -14.819 -15.119 1.00 11.62  ? 147 PHE B CA  1 
ATOM   1214 C C   . PHE A 1 141 ? -21.865 -14.354 -13.771 1.00 11.88  ? 147 PHE B C   1 
ATOM   1215 O O   . PHE A 1 141 ? -21.881 -15.144 -12.793 1.00 12.59  ? 147 PHE B O   1 
ATOM   1216 C CB  . PHE A 1 141 ? -23.932 -14.885 -15.116 1.00 11.61  ? 147 PHE B CB  1 
ATOM   1217 C CG  . PHE A 1 141 ? -24.498 -15.313 -16.447 1.00 11.67  ? 147 PHE B CG  1 
ATOM   1218 C CD1 . PHE A 1 141 ? -24.578 -16.664 -16.790 1.00 11.45  ? 147 PHE B CD1 1 
ATOM   1219 C CD2 . PHE A 1 141 ? -24.996 -14.354 -17.317 1.00 11.96  ? 147 PHE B CD2 1 
ATOM   1220 C CE1 . PHE A 1 141 ? -25.059 -17.039 -18.034 1.00 11.82  ? 147 PHE B CE1 1 
ATOM   1221 C CE2 . PHE A 1 141 ? -25.506 -14.746 -18.556 1.00 11.20  ? 147 PHE B CE2 1 
ATOM   1222 C CZ  . PHE A 1 141 ? -25.553 -16.087 -18.891 1.00 10.64  ? 147 PHE B CZ  1 
ATOM   1223 N N   . TYR A 1 142 ? -21.513 -13.080 -13.710 1.00 12.03  ? 148 TYR B N   1 
ATOM   1224 C CA  . TYR A 1 142 ? -20.878 -12.443 -12.522 1.00 14.22  ? 148 TYR B CA  1 
ATOM   1225 C C   . TYR A 1 142 ? -21.666 -11.201 -12.095 1.00 15.34  ? 148 TYR B C   1 
ATOM   1226 O O   . TYR A 1 142 ? -22.133 -10.413 -12.886 1.00 15.04  ? 148 TYR B O   1 
ATOM   1227 C CB  . TYR A 1 142 ? -19.407 -12.148 -12.787 1.00 14.80  ? 148 TYR B CB  1 
ATOM   1228 C CG  . TYR A 1 142 ? -18.605 -13.396 -13.076 1.00 14.53  ? 148 TYR B CG  1 
ATOM   1229 C CD1 . TYR A 1 142 ? -18.103 -14.165 -12.051 1.00 15.63  ? 148 TYR B CD1 1 
ATOM   1230 C CD2 . TYR A 1 142 ? -18.399 -13.850 -14.369 1.00 15.20  ? 148 TYR B CD2 1 
ATOM   1231 C CE1 . TYR A 1 142 ? -17.430 -15.354 -12.297 1.00 15.91  ? 148 TYR B CE1 1 
ATOM   1232 C CE2 . TYR A 1 142 ? -17.716 -15.027 -14.636 1.00 15.39  ? 148 TYR B CE2 1 
ATOM   1233 C CZ  . TYR A 1 142 ? -17.176 -15.767 -13.596 1.00 15.92  ? 148 TYR B CZ  1 
ATOM   1234 O OH  . TYR A 1 142 ? -16.537 -16.971 -13.841 1.00 18.75  ? 148 TYR B OH  1 
ATOM   1235 N N   . ASN A 1 143 ? -21.718 -10.975 -10.780 1.00 15.86  ? 149 ASN B N   1 
ATOM   1236 C CA  . ASN A 1 143 ? -22.401 -9.811  -10.148 1.00 15.33  ? 149 ASN B CA  1 
ATOM   1237 C C   . ASN A 1 143 ? -21.361 -8.697  -9.968  1.00 15.91  ? 149 ASN B C   1 
ATOM   1238 O O   . ASN A 1 143 ? -20.577 -8.728  -8.979  1.00 16.95  ? 149 ASN B O   1 
ATOM   1239 C CB  . ASN A 1 143 ? -23.016 -10.248 -8.827  1.00 15.81  ? 149 ASN B CB  1 
ATOM   1240 C CG  . ASN A 1 143 ? -23.848 -9.158  -8.169  1.00 16.08  ? 149 ASN B CG  1 
ATOM   1241 O OD1 . ASN A 1 143 ? -23.678 -7.987  -8.536  1.00 17.65  ? 149 ASN B OD1 1 
ATOM   1242 N ND2 . ASN A 1 143 ? -24.740 -9.541  -7.296  1.00 17.00  ? 149 ASN B ND2 1 
ATOM   1243 N N   . ILE A 1 144 ? -21.296 -7.710  -10.853 1.00 16.77  ? 150 ILE B N   1 
ATOM   1244 C CA  . ILE A 1 144 ? -20.229 -6.692  -10.812 1.00 17.89  ? 150 ILE B CA  1 
ATOM   1245 C C   . ILE A 1 144 ? -20.465 -5.823  -9.560  1.00 19.24  ? 150 ILE B C   1 
ATOM   1246 O O   . ILE A 1 144 ? -19.479 -5.365  -8.975  1.00 21.09  ? 150 ILE B O   1 
ATOM   1247 C CB  . ILE A 1 144 ? -20.221 -5.886  -12.119 1.00 18.98  ? 150 ILE B CB  1 
ATOM   1248 C CG1 . ILE A 1 144 ? -20.031 -6.763  -13.363 1.00 19.99  ? 150 ILE B CG1 1 
ATOM   1249 C CG2 . ILE A 1 144 ? -19.186 -4.768  -12.079 1.00 20.86  ? 150 ILE B CG2 1 
ATOM   1250 C CD1 . ILE A 1 144 ? -18.946 -7.801  -13.234 1.00 25.39  ? 150 ILE B CD1 1 
ATOM   1251 N N   . THR A 1 145 ? -21.714 -5.619  -9.182  1.00 18.96  ? 151 THR B N   1 
ATOM   1252 C CA  . THR A 1 145 ? -22.095 -4.768  -8.004  1.00 19.37  ? 151 THR B CA  1 
ATOM   1253 C C   . THR A 1 145 ? -21.555 -5.400  -6.722  1.00 22.71  ? 151 THR B C   1 
ATOM   1254 O O   . THR A 1 145 ? -21.215 -4.639  -5.792  1.00 26.98  ? 151 THR B O   1 
ATOM   1255 C CB  . THR A 1 145 ? -23.624 -4.620  -7.939  1.00 18.71  ? 151 THR B CB  1 
ATOM   1256 O OG1 . THR A 1 145 ? -24.069 -4.160  -9.216  1.00 18.81  ? 151 THR B OG1 1 
ATOM   1257 C CG2 . THR A 1 145 ? -24.033 -3.638  -6.860  1.00 21.36  ? 151 THR B CG2 1 
ATOM   1258 N N   . ASP A 1 146 ? -21.482 -6.722  -6.652  1.00 21.55  ? 152 ASP B N   1 
ATOM   1259 C CA  . ASP A 1 146 ? -20.970 -7.486  -5.474  1.00 21.97  ? 152 ASP B CA  1 
ATOM   1260 C C   . ASP A 1 146 ? -19.551 -8.016  -5.748  1.00 22.46  ? 152 ASP B C   1 
ATOM   1261 O O   . ASP A 1 146 ? -19.338 -9.212  -5.569  1.00 22.99  ? 152 ASP B O   1 
ATOM   1262 C CB  . ASP A 1 146 ? -21.990 -8.522  -5.074  1.00 21.35  ? 152 ASP B CB  1 
ATOM   1263 C CG  . ASP A 1 146 ? -21.581 -9.321  -3.863  1.00 27.60  ? 152 ASP B CG  1 
ATOM   1264 O OD1 . ASP A 1 146 ? -21.111 -8.686  -2.896  1.00 26.85  ? 152 ASP B OD1 1 
ATOM   1265 O OD2 . ASP A 1 146 ? -21.702 -10.566 -3.929  1.00 26.22  ? 152 ASP B OD2 1 
ATOM   1266 N N   . HIS A 1 147 ? -18.610 -7.163  -6.143  1.00 24.57  ? 153 HIS B N   1 
ATOM   1267 C CA  . HIS A 1 147 ? -17.169 -7.515  -6.251  1.00 28.59  ? 153 HIS B CA  1 
ATOM   1268 C C   . HIS A 1 147 ? -17.010 -8.716  -7.202  1.00 27.58  ? 153 HIS B C   1 
ATOM   1269 O O   . HIS A 1 147 ? -16.105 -9.517  -7.018  1.00 28.41  ? 153 HIS B O   1 
ATOM   1270 C CB  . HIS A 1 147 ? -16.552 -7.914  -4.893  1.00 33.97  ? 153 HIS B CB  1 
ATOM   1271 C CG  . HIS A 1 147 ? -16.862 -7.062  -3.700  1.00 41.61  ? 153 HIS B CG  1 
ATOM   1272 N ND1 . HIS A 1 147 ? -16.229 -5.853  -3.460  1.00 49.23  ? 153 HIS B ND1 1 
ATOM   1273 C CD2 . HIS A 1 147 ? -17.667 -7.286  -2.634  1.00 46.01  ? 153 HIS B CD2 1 
ATOM   1274 C CE1 . HIS A 1 147 ? -16.674 -5.340  -2.325  1.00 51.61  ? 153 HIS B CE1 1 
ATOM   1275 N NE2 . HIS A 1 147 ? -17.556 -6.203  -1.794  1.00 48.67  ? 153 HIS B NE2 1 
ATOM   1276 N N   . GLY A 1 148 ? -17.883 -8.880  -8.190  1.00 22.66  ? 154 GLY B N   1 
ATOM   1277 C CA  . GLY A 1 148 ? -17.616 -9.886  -9.235  1.00 19.26  ? 154 GLY B CA  1 
ATOM   1278 C C   . GLY A 1 148 ? -18.036 -11.278 -8.824  1.00 16.89  ? 154 GLY B C   1 
ATOM   1279 O O   . GLY A 1 148 ? -17.512 -12.199 -9.391  1.00 18.41  ? 154 GLY B O   1 
ATOM   1280 N N   . SER A 1 149 ? -18.857 -11.422 -7.805  1.00 16.95  ? 155 SER B N   1 
ATOM   1281 C CA  . SER A 1 149 ? -19.235 -12.737 -7.264  1.00 15.55  ? 155 SER B CA  1 
ATOM   1282 C C   . SER A 1 149 ? -19.917 -13.583 -8.347  1.00 16.69  ? 155 SER B C   1 
ATOM   1283 O O   . SER A 1 149 ? -20.718 -13.065 -9.155  1.00 15.80  ? 155 SER B O   1 
ATOM   1284 C CB  . SER A 1 149 ? -20.082 -12.636 -6.026  1.00 17.02  ? 155 SER B CB  1 
ATOM   1285 O OG  . SER A 1 149 ? -21.274 -11.875 -6.195  1.00 18.25  ? 155 SER B OG  1 
ATOM   1286 N N   . LEU A 1 150 ? -19.683 -14.876 -8.340  1.00 15.30  ? 156 LEU B N   1 
ATOM   1287 C CA  . LEU A 1 150 ? -20.362 -15.775 -9.321  1.00 13.69  ? 156 LEU B CA  1 
ATOM   1288 C C   . LEU A 1 150 ? -21.859 -15.841 -9.086  1.00 13.51  ? 156 LEU B C   1 
ATOM   1289 O O   . LEU A 1 150 ? -22.362 -16.045 -7.942  1.00 14.74  ? 156 LEU B O   1 
ATOM   1290 C CB  . LEU A 1 150 ? -19.790 -17.185 -9.192  1.00 14.27  ? 156 LEU B CB  1 
ATOM   1291 C CG  . LEU A 1 150 ? -20.326 -18.238 -10.169 1.00 14.24  ? 156 LEU B CG  1 
ATOM   1292 C CD1 . LEU A 1 150 ? -19.959 -17.975 -11.623 1.00 15.48  ? 156 LEU B CD1 1 
ATOM   1293 C CD2 . LEU A 1 150 ? -19.754 -19.627 -9.758  1.00 15.75  ? 156 LEU B CD2 1 
ATOM   1294 N N   . ILE A 1 151 ? -22.611 -15.711 -10.173 1.00 12.40  ? 157 ILE B N   1 
ATOM   1295 C CA  . ILE A 1 151 ? -24.058 -15.922 -10.202 1.00 13.60  ? 157 ILE B CA  1 
ATOM   1296 C C   . ILE A 1 151 ? -24.397 -17.344 -10.657 1.00 12.73  ? 157 ILE B C   1 
ATOM   1297 O O   . ILE A 1 151 ? -25.233 -18.038 -10.062 1.00 12.93  ? 157 ILE B O   1 
ATOM   1298 C CB  . ILE A 1 151 ? -24.746 -14.850 -11.066 1.00 13.49  ? 157 ILE B CB  1 
ATOM   1299 C CG1 . ILE A 1 151 ? -24.585 -13.444 -10.483 1.00 13.73  ? 157 ILE B CG1 1 
ATOM   1300 C CG2 . ILE A 1 151 ? -26.227 -15.178 -11.276 1.00 13.27  ? 157 ILE B CG2 1 
ATOM   1301 C CD1 . ILE A 1 151 ? -25.019 -12.316 -11.436 1.00 15.28  ? 157 ILE B CD1 1 
ATOM   1302 N N   . TYR A 1 152 ? -23.862 -17.753 -11.814 1.00 12.21  ? 158 TYR B N   1 
ATOM   1303 C CA  . TYR A 1 152 ? -24.248 -19.055 -12.405 1.00 11.21  ? 158 TYR B CA  1 
ATOM   1304 C C   . TYR A 1 152 ? -23.190 -19.433 -13.463 1.00 11.41  ? 158 TYR B C   1 
ATOM   1305 O O   . TYR A 1 152 ? -22.701 -18.552 -14.184 1.00 12.23  ? 158 TYR B O   1 
ATOM   1306 C CB  . TYR A 1 152 ? -25.616 -18.999 -13.132 1.00 12.30  ? 158 TYR B CB  1 
ATOM   1307 C CG  . TYR A 1 152 ? -26.153 -20.345 -13.482 1.00 11.47  ? 158 TYR B CG  1 
ATOM   1308 C CD1 . TYR A 1 152 ? -26.764 -21.149 -12.529 1.00 12.60  ? 158 TYR B CD1 1 
ATOM   1309 C CD2 . TYR A 1 152 ? -26.043 -20.862 -14.771 1.00 11.13  ? 158 TYR B CD2 1 
ATOM   1310 C CE1 . TYR A 1 152 ? -27.212 -22.410 -12.840 1.00 12.90  ? 158 TYR B CE1 1 
ATOM   1311 C CE2 . TYR A 1 152 ? -26.488 -22.133 -15.085 1.00 12.18  ? 158 TYR B CE2 1 
ATOM   1312 C CZ  . TYR A 1 152 ? -27.050 -22.915 -14.108 1.00 12.39  ? 158 TYR B CZ  1 
ATOM   1313 O OH  . TYR A 1 152 ? -27.484 -24.179 -14.370 1.00 15.23  ? 158 TYR B OH  1 
ATOM   1314 N N   . THR A 1 153 ? -22.953 -20.742 -13.561 1.00 11.46  ? 159 THR B N   1 
ATOM   1315 C CA  . THR A 1 153 ? -22.107 -21.372 -14.615 1.00 12.54  ? 159 THR B CA  1 
ATOM   1316 C C   . THR A 1 153 ? -22.888 -22.473 -15.303 1.00 11.91  ? 159 THR B C   1 
ATOM   1317 O O   . THR A 1 153 ? -23.252 -23.489 -14.692 1.00 13.54  ? 159 THR B O   1 
ATOM   1318 C CB  . THR A 1 153 ? -20.766 -21.907 -14.062 1.00 13.29  ? 159 THR B CB  1 
ATOM   1319 O OG1 . THR A 1 153 ? -19.966 -20.792 -13.668 1.00 13.25  ? 159 THR B OG1 1 
ATOM   1320 C CG2 . THR A 1 153 ? -19.987 -22.714 -15.083 1.00 14.57  ? 159 THR B CG2 1 
ATOM   1321 N N   . PHE A 1 154 ? -23.079 -22.312 -16.630 1.00 12.57  ? 160 PHE B N   1 
ATOM   1322 C CA  . PHE A 1 154 ? -23.459 -23.410 -17.548 1.00 12.02  ? 160 PHE B CA  1 
ATOM   1323 C C   . PHE A 1 154 ? -22.154 -24.093 -17.995 1.00 12.59  ? 160 PHE B C   1 
ATOM   1324 O O   . PHE A 1 154 ? -21.283 -23.434 -18.541 1.00 12.83  ? 160 PHE B O   1 
ATOM   1325 C CB  . PHE A 1 154 ? -24.148 -22.892 -18.811 1.00 12.99  ? 160 PHE B CB  1 
ATOM   1326 C CG  . PHE A 1 154 ? -25.509 -22.284 -18.630 1.00 10.75  ? 160 PHE B CG  1 
ATOM   1327 C CD1 . PHE A 1 154 ? -25.641 -20.923 -18.375 1.00 10.29  ? 160 PHE B CD1 1 
ATOM   1328 C CD2 . PHE A 1 154 ? -26.646 -23.022 -18.855 1.00 11.13  ? 160 PHE B CD2 1 
ATOM   1329 C CE1 . PHE A 1 154 ? -26.916 -20.372 -18.287 1.00 11.19  ? 160 PHE B CE1 1 
ATOM   1330 C CE2 . PHE A 1 154 ? -27.918 -22.468 -18.752 1.00 11.52  ? 160 PHE B CE2 1 
ATOM   1331 C CZ  . PHE A 1 154 ? -28.033 -21.128 -18.496 1.00 11.06  ? 160 PHE B CZ  1 
ATOM   1332 N N   . SER A 1 155 ? -22.046 -25.376 -17.668 1.00 14.32  ? 161 SER B N   1 
ATOM   1333 C CA  . SER A 1 155 ? -20.923 -26.169 -18.162 1.00 15.34  ? 161 SER B CA  1 
ATOM   1334 C C   . SER A 1 155 ? -21.409 -27.337 -19.021 1.00 15.30  ? 161 SER B C   1 
ATOM   1335 O O   . SER A 1 155 ? -22.622 -27.602 -19.127 1.00 16.77  ? 161 SER B O   1 
ATOM   1336 C CB  . SER A 1 155 ? -20.096 -26.595 -16.972 1.00 17.29  ? 161 SER B CB  1 
ATOM   1337 O OG  . SER A 1 155 ? -20.774 -27.560 -16.236 1.00 20.79  ? 161 SER B OG  1 
ATOM   1338 N N   . GLU A 1 156 ? -20.440 -27.952 -19.720 1.00 17.74  ? 162 GLU B N   1 
ATOM   1339 C CA  . GLU A 1 156 ? -20.749 -29.031 -20.706 1.00 19.79  ? 162 GLU B CA  1 
ATOM   1340 C C   . GLU A 1 156 ? -21.703 -28.480 -21.773 1.00 18.64  ? 162 GLU B C   1 
ATOM   1341 O O   . GLU A 1 156 ? -22.649 -29.208 -22.216 1.00 20.75  ? 162 GLU B O   1 
ATOM   1342 C CB  . GLU A 1 156 ? -21.408 -30.246 -20.073 1.00 24.09  ? 162 GLU B CB  1 
ATOM   1343 C CG  . GLU A 1 156 ? -20.803 -30.724 -18.768 1.00 30.64  ? 162 GLU B CG  1 
ATOM   1344 C CD  . GLU A 1 156 ? -21.482 -32.030 -18.388 1.00 41.03  ? 162 GLU B CD  1 
ATOM   1345 O OE1 . GLU A 1 156 ? -22.543 -31.993 -17.723 1.00 41.46  ? 162 GLU B OE1 1 
ATOM   1346 O OE2 . GLU A 1 156 ? -21.017 -33.075 -18.867 1.00 47.43  ? 162 GLU B OE2 1 
ATOM   1347 N N   . CYS A 1 157 ? -21.504 -27.216 -22.158 1.00 16.66  ? 163 CYS B N   1 
ATOM   1348 C CA  . CYS A 1 157 ? -22.424 -26.573 -23.137 1.00 14.88  ? 163 CYS B CA  1 
ATOM   1349 C C   . CYS A 1 157 ? -22.194 -27.196 -24.520 1.00 16.31  ? 163 CYS B C   1 
ATOM   1350 O O   . CYS A 1 157 ? -21.003 -27.416 -24.872 1.00 18.19  ? 163 CYS B O   1 
ATOM   1351 C CB  . CYS A 1 157 ? -22.247 -25.063 -23.293 1.00 13.98  ? 163 CYS B CB  1 
ATOM   1352 S SG  . CYS A 1 157 ? -22.644 -24.156 -21.770 1.00 15.09  ? 163 CYS B SG  1 
ATOM   1353 N N   . VAL A 1 158 ? -23.263 -27.438 -25.262 1.00 15.66  ? 164 VAL B N   1 
ATOM   1354 C CA  . VAL A 1 158 ? -23.130 -27.955 -26.644 1.00 16.64  ? 164 VAL B CA  1 
ATOM   1355 C C   . VAL A 1 158 ? -23.583 -26.827 -27.565 1.00 15.01  ? 164 VAL B C   1 
ATOM   1356 O O   . VAL A 1 158 ? -24.781 -26.714 -27.944 1.00 17.86  ? 164 VAL B O   1 
ATOM   1357 C CB  . VAL A 1 158 ? -23.874 -29.299 -26.783 1.00 19.43  ? 164 VAL B CB  1 
ATOM   1358 C CG1 . VAL A 1 158 ? -23.738 -29.768 -28.235 1.00 20.29  ? 164 VAL B CG1 1 
ATOM   1359 C CG2 . VAL A 1 158 ? -23.356 -30.358 -25.811 1.00 21.45  ? 164 VAL B CG2 1 
ATOM   1360 N N   . PHE A 1 159 ? -22.681 -25.901 -27.889 1.00 14.38  ? 165 PHE B N   1 
ATOM   1361 C CA  . PHE A 1 159 ? -22.986 -24.656 -28.642 1.00 14.58  ? 165 PHE B CA  1 
ATOM   1362 C C   . PHE A 1 159 ? -23.538 -25.023 -30.017 1.00 17.05  ? 165 PHE B C   1 
ATOM   1363 O O   . PHE A 1 159 ? -24.565 -24.465 -30.419 1.00 16.75  ? 165 PHE B O   1 
ATOM   1364 C CB  . PHE A 1 159 ? -21.800 -23.696 -28.645 1.00 14.76  ? 165 PHE B CB  1 
ATOM   1365 C CG  . PHE A 1 159 ? -21.371 -23.206 -27.273 1.00 13.55  ? 165 PHE B CG  1 
ATOM   1366 C CD1 . PHE A 1 159 ? -22.310 -22.712 -26.372 1.00 13.94  ? 165 PHE B CD1 1 
ATOM   1367 C CD2 . PHE A 1 159 ? -20.035 -23.243 -26.894 1.00 15.95  ? 165 PHE B CD2 1 
ATOM   1368 C CE1 . PHE A 1 159 ? -21.907 -22.247 -25.118 1.00 14.61  ? 165 PHE B CE1 1 
ATOM   1369 C CE2 . PHE A 1 159 ? -19.627 -22.769 -25.655 1.00 15.83  ? 165 PHE B CE2 1 
ATOM   1370 C CZ  . PHE A 1 159 ? -20.569 -22.261 -24.780 1.00 14.04  ? 165 PHE B CZ  1 
ATOM   1371 N N   . ALA A 1 160 ? -22.859 -25.927 -30.713 1.00 15.02  ? 166 ALA B N   1 
ATOM   1372 C CA  . ALA A 1 160 ? -23.330 -26.477 -32.003 1.00 16.15  ? 166 ALA B CA  1 
ATOM   1373 C C   . ALA A 1 160 ? -23.429 -25.402 -33.075 1.00 15.80  ? 166 ALA B C   1 
ATOM   1374 O O   . ALA A 1 160 ? -24.249 -25.604 -34.047 1.00 16.85  ? 166 ALA B O   1 
ATOM   1375 C CB  . ALA A 1 160 ? -24.614 -27.224 -31.817 1.00 16.30  ? 166 ALA B CB  1 
ATOM   1376 N N   . GLY A 1 161 ? -22.668 -24.331 -32.991 1.00 16.41  ? 167 GLY B N   1 
ATOM   1377 C CA  . GLY A 1 161 ? -22.568 -23.287 -34.021 1.00 17.61  ? 167 GLY B CA  1 
ATOM   1378 C C   . GLY A 1 161 ? -21.992 -22.005 -33.477 1.00 15.78  ? 167 GLY B C   1 
ATOM   1379 O O   . GLY A 1 161 ? -21.596 -21.917 -32.286 1.00 14.97  ? 167 GLY B O   1 
ATOM   1380 N N   . PRO A 1 162 ? -21.900 -20.977 -34.304 1.00 14.14  ? 168 PRO B N   1 
ATOM   1381 C CA  . PRO A 1 162 ? -21.435 -19.681 -33.876 1.00 13.41  ? 168 PRO B CA  1 
ATOM   1382 C C   . PRO A 1 162 ? -22.369 -19.135 -32.787 1.00 13.94  ? 168 PRO B C   1 
ATOM   1383 O O   . PRO A 1 162 ? -23.573 -19.387 -32.854 1.00 13.91  ? 168 PRO B O   1 
ATOM   1384 C CB  . PRO A 1 162 ? -21.420 -18.800 -35.108 1.00 14.26  ? 168 PRO B CB  1 
ATOM   1385 C CG  . PRO A 1 162 ? -21.553 -19.792 -36.264 1.00 13.74  ? 168 PRO B CG  1 
ATOM   1386 C CD  . PRO A 1 162 ? -22.220 -21.006 -35.739 1.00 13.28  ? 168 PRO B CD  1 
ATOM   1387 N N   . LEU A 1 163 ? -21.798 -18.368 -31.875 1.00 14.01  ? 169 LEU B N   1 
ATOM   1388 C CA  . LEU A 1 163 ? -22.577 -17.734 -30.767 1.00 12.94  ? 169 LEU B CA  1 
ATOM   1389 C C   . LEU A 1 163 ? -22.702 -16.247 -31.016 1.00 14.01  ? 169 LEU B C   1 
ATOM   1390 O O   . LEU A 1 163 ? -21.763 -15.614 -31.495 1.00 14.60  ? 169 LEU B O   1 
ATOM   1391 C CB  . LEU A 1 163 ? -21.892 -17.984 -29.419 1.00 13.27  ? 169 LEU B CB  1 
ATOM   1392 C CG  . LEU A 1 163 ? -21.920 -19.421 -28.896 1.00 13.65  ? 169 LEU B CG  1 
ATOM   1393 C CD1 . LEU A 1 163 ? -21.099 -19.486 -27.631 1.00 14.40  ? 169 LEU B CD1 1 
ATOM   1394 C CD2 . LEU A 1 163 ? -23.354 -19.917 -28.671 1.00 14.02  ? 169 LEU B CD2 1 
ATOM   1395 N N   . ARG A 1 164 ? -23.833 -15.683 -30.571 1.00 12.88  ? 170 ARG B N   1 
ATOM   1396 C CA  . ARG A 1 164 ? -24.066 -14.228 -30.570 1.00 12.28  ? 170 ARG B CA  1 
ATOM   1397 C C   . ARG A 1 164 ? -24.492 -13.756 -29.179 1.00 11.17  ? 170 ARG B C   1 
ATOM   1398 O O   . ARG A 1 164 ? -25.262 -14.445 -28.515 1.00 12.19  ? 170 ARG B O   1 
ATOM   1399 C CB  . ARG A 1 164 ? -25.137 -13.854 -31.603 1.00 13.76  ? 170 ARG B CB  1 
ATOM   1400 C CG  . ARG A 1 164 ? -24.629 -14.207 -33.006 1.00 16.55  ? 170 ARG B CG  1 
ATOM   1401 C CD  . ARG A 1 164 ? -25.542 -13.828 -34.134 1.00 19.21  ? 170 ARG B CD  1 
ATOM   1402 N NE  . ARG A 1 164 ? -25.589 -12.389 -34.238 1.00 17.44  ? 170 ARG B NE  1 
ATOM   1403 C CZ  . ARG A 1 164 ? -26.311 -11.752 -35.148 1.00 18.25  ? 170 ARG B CZ  1 
ATOM   1404 N NH1 . ARG A 1 164 ? -26.924 -12.452 -36.072 1.00 18.58  ? 170 ARG B NH1 1 
ATOM   1405 N NH2 . ARG A 1 164 ? -26.345 -10.429 -35.168 1.00 16.79  ? 170 ARG B NH2 1 
ATOM   1406 N N   . PRO A 1 165 ? -24.019 -12.569 -28.743 1.00 11.94  ? 171 PRO B N   1 
ATOM   1407 C CA  . PRO A 1 165 ? -24.564 -11.982 -27.504 1.00 11.06  ? 171 PRO B CA  1 
ATOM   1408 C C   . PRO A 1 165 ? -26.081 -11.845 -27.659 1.00 11.35  ? 171 PRO B C   1 
ATOM   1409 O O   . PRO A 1 165 ? -26.581 -11.469 -28.734 1.00 11.79  ? 171 PRO B O   1 
ATOM   1410 C CB  . PRO A 1 165 ? -23.895 -10.600 -27.412 1.00 11.90  ? 171 PRO B CB  1 
ATOM   1411 C CG  . PRO A 1 165 ? -22.600 -10.769 -28.226 1.00 13.35  ? 171 PRO B CG  1 
ATOM   1412 C CD  . PRO A 1 165 ? -23.010 -11.690 -29.357 1.00 14.26  ? 171 PRO B CD  1 
ATOM   1413 N N   . PHE A 1 166 ? -26.825 -12.076 -26.585 1.00 10.54  ? 172 PHE B N   1 
ATOM   1414 C CA  . PHE A 1 166 ? -28.306 -12.105 -26.576 1.00 10.84  ? 172 PHE B CA  1 
ATOM   1415 C C   . PHE A 1 166 ? -28.823 -11.158 -25.486 1.00 10.09  ? 172 PHE B C   1 
ATOM   1416 O O   . PHE A 1 166 ? -28.329 -11.164 -24.329 1.00 10.83  ? 172 PHE B O   1 
ATOM   1417 C CB  . PHE A 1 166 ? -28.797 -13.525 -26.303 1.00 10.97  ? 172 PHE B CB  1 
ATOM   1418 C CG  . PHE A 1 166 ? -30.289 -13.626 -26.118 1.00 11.53  ? 172 PHE B CG  1 
ATOM   1419 C CD1 . PHE A 1 166 ? -31.136 -13.612 -27.218 1.00 12.27  ? 172 PHE B CD1 1 
ATOM   1420 C CD2 . PHE A 1 166 ? -30.861 -13.663 -24.851 1.00 12.68  ? 172 PHE B CD2 1 
ATOM   1421 C CE1 . PHE A 1 166 ? -32.515 -13.681 -27.056 1.00 12.51  ? 172 PHE B CE1 1 
ATOM   1422 C CE2 . PHE A 1 166 ? -32.241 -13.712 -24.702 1.00 11.80  ? 172 PHE B CE2 1 
ATOM   1423 C CZ  . PHE A 1 166 ? -33.055 -13.716 -25.796 1.00 12.35  ? 172 PHE B CZ  1 
ATOM   1424 N N   . PHE A 1 167 ? -29.907 -10.426 -25.795 1.00 10.64  ? 173 PHE B N   1 
ATOM   1425 C CA  . PHE A 1 167 ? -30.490 -9.397  -24.909 1.00 10.92  ? 173 PHE B CA  1 
ATOM   1426 C C   . PHE A 1 167 ? -32.011 -9.481  -25.011 1.00 11.20  ? 173 PHE B C   1 
ATOM   1427 O O   . PHE A 1 167 ? -32.534 -9.519  -26.131 1.00 11.96  ? 173 PHE B O   1 
ATOM   1428 C CB  . PHE A 1 167 ? -30.060 -7.971  -25.299 1.00 10.96  ? 173 PHE B CB  1 
ATOM   1429 C CG  . PHE A 1 167 ? -28.554 -7.816  -25.394 1.00 10.80  ? 173 PHE B CG  1 
ATOM   1430 C CD1 . PHE A 1 167 ? -27.896 -8.143  -26.578 1.00 10.94  ? 173 PHE B CD1 1 
ATOM   1431 C CD2 . PHE A 1 167 ? -27.781 -7.404  -24.313 1.00 13.39  ? 173 PHE B CD2 1 
ATOM   1432 C CE1 . PHE A 1 167 ? -26.504 -8.076  -26.690 1.00 11.98  ? 173 PHE B CE1 1 
ATOM   1433 C CE2 . PHE A 1 167 ? -26.412 -7.266  -24.449 1.00 13.32  ? 173 PHE B CE2 1 
ATOM   1434 C CZ  . PHE A 1 167 ? -25.778 -7.611  -25.631 1.00 13.41  ? 173 PHE B CZ  1 
ATOM   1435 N N   . ASN A 1 168 ? -32.703 -9.273  -23.899 1.00 11.69  ? 174 ASN B N   1 
ATOM   1436 C CA  . ASN A 1 168 ? -34.155 -9.033  -23.861 1.00 11.32  ? 174 ASN B CA  1 
ATOM   1437 C C   . ASN A 1 168 ? -34.387 -7.901  -22.862 1.00 11.99  ? 174 ASN B C   1 
ATOM   1438 O O   . ASN A 1 168 ? -34.065 -8.078  -21.675 1.00 12.48  ? 174 ASN B O   1 
ATOM   1439 C CB  . ASN A 1 168 ? -34.940 -10.277 -23.451 1.00 11.46  ? 174 ASN B CB  1 
ATOM   1440 C CG  . ASN A 1 168 ? -36.440 -10.085 -23.524 1.00 13.27  ? 174 ASN B CG  1 
ATOM   1441 O OD1 . ASN A 1 168 ? -36.936 -9.015  -23.831 1.00 13.89  ? 174 ASN B OD1 1 
ATOM   1442 N ND2 . ASN A 1 168 ? -37.155 -11.173 -23.316 1.00 15.07  ? 174 ASN B ND2 1 
ATOM   1443 N N   . VAL A 1 169 ? -34.899 -6.760  -23.338 1.00 11.89  ? 175 VAL B N   1 
ATOM   1444 C CA  . VAL A 1 169 ? -35.143 -5.591  -22.445 1.00 12.00  ? 175 VAL B CA  1 
ATOM   1445 C C   . VAL A 1 169 ? -36.406 -5.828  -21.598 1.00 13.03  ? 175 VAL B C   1 
ATOM   1446 O O   . VAL A 1 169 ? -36.672 -5.018  -20.679 1.00 13.29  ? 175 VAL B O   1 
ATOM   1447 C CB  . VAL A 1 169 ? -35.238 -4.235  -23.181 1.00 13.69  ? 175 VAL B CB  1 
ATOM   1448 C CG1 . VAL A 1 169 ? -33.941 -3.918  -23.858 1.00 13.83  ? 175 VAL B CG1 1 
ATOM   1449 C CG2 . VAL A 1 169 ? -36.399 -4.191  -24.169 1.00 14.24  ? 175 VAL B CG2 1 
ATOM   1450 N N   . GLY A 1 170 ? -37.222 -6.832  -21.954 1.00 12.91  ? 176 GLY B N   1 
ATOM   1451 C CA  . GLY A 1 170 ? -38.500 -7.087  -21.266 1.00 13.63  ? 176 GLY B CA  1 
ATOM   1452 C C   . GLY A 1 170 ? -39.607 -6.156  -21.688 1.00 13.33  ? 176 GLY B C   1 
ATOM   1453 O O   . GLY A 1 170 ? -39.359 -5.074  -22.272 1.00 12.58  ? 176 GLY B O   1 
ATOM   1454 N N   . PHE A 1 171 ? -40.838 -6.593  -21.433 1.00 14.09  ? 177 PHE B N   1 
ATOM   1455 C CA  . PHE A 1 171 ? -42.042 -5.749  -21.640 1.00 13.76  ? 177 PHE B CA  1 
ATOM   1456 C C   . PHE A 1 171 ? -42.072 -4.649  -20.590 1.00 13.04  ? 177 PHE B C   1 
ATOM   1457 O O   . PHE A 1 171 ? -41.379 -4.705  -19.568 1.00 12.51  ? 177 PHE B O   1 
ATOM   1458 C CB  . PHE A 1 171 ? -43.330 -6.580  -21.701 1.00 14.61  ? 177 PHE B CB  1 
ATOM   1459 C CG  . PHE A 1 171 ? -43.430 -7.479  -22.907 1.00 15.45  ? 177 PHE B CG  1 
ATOM   1460 C CD1 . PHE A 1 171 ? -43.782 -6.979  -24.144 1.00 17.44  ? 177 PHE B CD1 1 
ATOM   1461 C CD2 . PHE A 1 171 ? -43.211 -8.839  -22.785 1.00 17.24  ? 177 PHE B CD2 1 
ATOM   1462 C CE1 . PHE A 1 171 ? -43.848 -7.822  -25.256 1.00 18.74  ? 177 PHE B CE1 1 
ATOM   1463 C CE2 . PHE A 1 171 ? -43.306 -9.674  -23.885 1.00 18.35  ? 177 PHE B CE2 1 
ATOM   1464 C CZ  . PHE A 1 171 ? -43.666 -9.165  -25.093 1.00 17.49  ? 177 PHE B CZ  1 
ATOM   1465 N N   . ASN A 1 172 ? -42.946 -3.685  -20.813 1.00 13.18  ? 178 ASN B N   1 
ATOM   1466 C CA  . ASN A 1 172 ? -43.139 -2.590  -19.830 1.00 12.00  ? 178 ASN B CA  1 
ATOM   1467 C C   . ASN A 1 172 ? -44.656 -2.417  -19.626 1.00 12.64  ? 178 ASN B C   1 
ATOM   1468 O O   . ASN A 1 172 ? -45.156 -1.275  -19.673 1.00 14.90  ? 178 ASN B O   1 
ATOM   1469 C CB  . ASN A 1 172 ? -42.484 -1.304  -20.293 1.00 13.17  ? 178 ASN B CB  1 
ATOM   1470 C CG  . ASN A 1 172 ? -42.527 -0.197  -19.264 1.00 13.26  ? 178 ASN B CG  1 
ATOM   1471 O OD1 . ASN A 1 172 ? -42.559 -0.439  -18.056 1.00 13.34  ? 178 ASN B OD1 1 
ATOM   1472 N ND2 . ASN A 1 172 ? -42.507 1.051   -19.730 1.00 15.32  ? 178 ASN B ND2 1 
ATOM   1473 N N   . TYR A 1 173 ? -45.327 -3.472  -19.233 1.00 13.72  ? 179 TYR B N   1 
ATOM   1474 C CA  . TYR A 1 173 ? -46.771 -3.404  -18.869 1.00 12.70  ? 179 TYR B CA  1 
ATOM   1475 C C   . TYR A 1 173 ? -46.930 -2.566  -17.600 1.00 14.51  ? 179 TYR B C   1 
ATOM   1476 O O   . TYR A 1 173 ? -48.029 -1.936  -17.398 1.00 15.06  ? 179 TYR B O   1 
ATOM   1477 C CB  . TYR A 1 173 ? -47.342 -4.813  -18.659 1.00 13.60  ? 179 TYR B CB  1 
ATOM   1478 C CG  . TYR A 1 173 ? -47.424 -5.671  -19.896 1.00 16.48  ? 179 TYR B CG  1 
ATOM   1479 C CD1 . TYR A 1 173 ? -48.384 -5.435  -20.858 1.00 20.67  ? 179 TYR B CD1 1 
ATOM   1480 C CD2 . TYR A 1 173 ? -46.574 -6.753  -20.048 1.00 19.58  ? 179 TYR B CD2 1 
ATOM   1481 C CE1 . TYR A 1 173 ? -48.426 -6.179  -22.031 1.00 21.86  ? 179 TYR B CE1 1 
ATOM   1482 C CE2 . TYR A 1 173 ? -46.614 -7.517  -21.213 1.00 19.86  ? 179 TYR B CE2 1 
ATOM   1483 C CZ  . TYR A 1 173 ? -47.546 -7.232  -22.185 1.00 21.80  ? 179 TYR B CZ  1 
ATOM   1484 O OH  . TYR A 1 173 ? -47.623 -8.030  -23.311 1.00 27.05  ? 179 TYR B OH  1 
ATOM   1485 N N   . SER A 1 174 ? -45.983 -2.576  -16.674 1.00 13.99  ? 180 SER B N   1 
ATOM   1486 C CA  . SER A 1 174 ? -46.103 -1.975  -15.320 1.00 14.39  ? 180 SER B CA  1 
ATOM   1487 C C   . SER A 1 174 ? -45.787 -0.481  -15.348 1.00 14.86  ? 180 SER B C   1 
ATOM   1488 O O   . SER A 1 174 ? -46.077 0.186   -14.348 1.00 16.44  ? 180 SER B O   1 
ATOM   1489 C CB  . SER A 1 174 ? -45.146 -2.595  -14.342 1.00 15.02  ? 180 SER B CB  1 
ATOM   1490 O OG  . SER A 1 174 ? -43.789 -2.383  -14.776 1.00 15.56  ? 180 SER B OG  1 
ATOM   1491 N N   . GLY A 1 175 ? -45.120 0.005   -16.383 1.00 13.82  ? 181 GLY B N   1 
ATOM   1492 C CA  . GLY A 1 175 ? -44.574 1.374   -16.351 1.00 14.17  ? 181 GLY B CA  1 
ATOM   1493 C C   . GLY A 1 175 ? -43.325 1.511   -15.510 1.00 15.36  ? 181 GLY B C   1 
ATOM   1494 O O   . GLY A 1 175 ? -42.837 2.639   -15.399 1.00 17.82  ? 181 GLY B O   1 
ATOM   1495 N N   . GLY A 1 176 ? -42.819 0.422   -14.914 1.00 14.27  ? 182 GLY B N   1 
ATOM   1496 C CA  . GLY A 1 176 ? -41.586 0.451   -14.134 1.00 14.55  ? 182 GLY B CA  1 
ATOM   1497 C C   . GLY A 1 176 ? -40.390 -0.211  -14.824 1.00 14.59  ? 182 GLY B C   1 
ATOM   1498 O O   . GLY A 1 176 ? -39.330 -0.301  -14.142 1.00 16.73  ? 182 GLY B O   1 
ATOM   1499 N N   . ASN A 1 177 ? -40.515 -0.616  -16.087 1.00 12.23  ? 183 ASN B N   1 
ATOM   1500 C CA  . ASN A 1 177 ? -39.416 -1.309  -16.774 1.00 12.54  ? 183 ASN B CA  1 
ATOM   1501 C C   . ASN A 1 177 ? -38.951 -0.599  -18.050 1.00 12.23  ? 183 ASN B C   1 
ATOM   1502 O O   . ASN A 1 177 ? -38.434 -1.274  -18.939 1.00 13.63  ? 183 ASN B O   1 
ATOM   1503 C CB  . ASN A 1 177 ? -39.797 -2.748  -17.096 1.00 12.17  ? 183 ASN B CB  1 
ATOM   1504 C CG  . ASN A 1 177 ? -38.580 -3.614  -17.375 1.00 12.67  ? 183 ASN B CG  1 
ATOM   1505 O OD1 . ASN A 1 177 ? -37.557 -3.465  -16.736 1.00 12.99  ? 183 ASN B OD1 1 
ATOM   1506 N ND2 . ASN A 1 177 ? -38.740 -4.550  -18.308 1.00 12.80  ? 183 ASN B ND2 1 
ATOM   1507 N N   . ALA A 1 178 ? -39.052 0.720   -18.129 1.00 13.25  ? 184 ALA B N   1 
ATOM   1508 C CA  . ALA A 1 178 ? -38.654 1.441   -19.361 1.00 13.88  ? 184 ALA B CA  1 
ATOM   1509 C C   . ALA A 1 178 ? -37.136 1.573   -19.502 1.00 13.62  ? 184 ALA B C   1 
ATOM   1510 O O   . ALA A 1 178 ? -36.690 1.855   -20.625 1.00 15.73  ? 184 ALA B O   1 
ATOM   1511 C CB  . ALA A 1 178 ? -39.293 2.832   -19.404 1.00 14.44  ? 184 ALA B CB  1 
ATOM   1512 N N   . ALA A 1 179 ? -36.385 1.426   -18.405 1.00 13.56  ? 185 ALA B N   1 
ATOM   1513 C CA  . ALA A 1 179 ? -34.933 1.718   -18.453 1.00 13.47  ? 185 ALA B CA  1 
ATOM   1514 C C   . ALA A 1 179 ? -34.240 0.846   -19.505 1.00 13.70  ? 185 ALA B C   1 
ATOM   1515 O O   . ALA A 1 179 ? -34.615 -0.312  -19.752 1.00 13.35  ? 185 ALA B O   1 
ATOM   1516 C CB  . ALA A 1 179 ? -34.318 1.542   -17.102 1.00 13.56  ? 185 ALA B CB  1 
ATOM   1517 N N   . PRO A 1 180 ? -33.141 1.341   -20.101 1.00 13.36  ? 186 PRO B N   1 
ATOM   1518 C CA  . PRO A 1 180 ? -32.409 0.574   -21.106 1.00 13.35  ? 186 PRO B CA  1 
ATOM   1519 C C   . PRO A 1 180 ? -31.486 -0.522  -20.527 1.00 12.55  ? 186 PRO B C   1 
ATOM   1520 O O   . PRO A 1 180 ? -31.159 -0.505  -19.350 1.00 13.57  ? 186 PRO B O   1 
ATOM   1521 C CB  . PRO A 1 180 ? -31.495 1.648   -21.739 1.00 14.81  ? 186 PRO B CB  1 
ATOM   1522 C CG  . PRO A 1 180 ? -31.242 2.616   -20.628 1.00 15.63  ? 186 PRO B CG  1 
ATOM   1523 C CD  . PRO A 1 180 ? -32.586 2.688   -19.908 1.00 15.87  ? 186 PRO B CD  1 
ATOM   1524 N N   . LEU A 1 181 ? -31.109 -1.465  -21.385 1.00 12.67  ? 187 LEU B N   1 
ATOM   1525 C CA  . LEU A 1 181 ? -29.866 -2.252  -21.216 1.00 12.93  ? 187 LEU B CA  1 
ATOM   1526 C C   . LEU A 1 181 ? -28.739 -1.444  -21.857 1.00 13.74  ? 187 LEU B C   1 
ATOM   1527 O O   . LEU A 1 181 ? -28.941 -0.947  -23.006 1.00 15.41  ? 187 LEU B O   1 
ATOM   1528 C CB  . LEU A 1 181 ? -30.036 -3.610  -21.867 1.00 13.21  ? 187 LEU B CB  1 
ATOM   1529 C CG  . LEU A 1 181 ? -31.054 -4.572  -21.237 1.00 14.06  ? 187 LEU B CG  1 
ATOM   1530 C CD1 . LEU A 1 181 ? -31.182 -5.852  -22.042 1.00 14.97  ? 187 LEU B CD1 1 
ATOM   1531 C CD2 . LEU A 1 181 ? -30.706 -4.932  -19.804 1.00 15.78  ? 187 LEU B CD2 1 
ATOM   1532 N N   . LYS A 1 182 ? -27.586 -1.392  -21.208 1.00 13.59  ? 188 LYS B N   1 
ATOM   1533 C CA  . LYS A 1 182 ? -26.424 -0.639  -21.733 1.00 14.26  ? 188 LYS B CA  1 
ATOM   1534 C C   . LYS A 1 182 ? -25.198 -1.520  -21.704 1.00 14.65  ? 188 LYS B C   1 
ATOM   1535 O O   . LYS A 1 182 ? -24.875 -2.044  -20.628 1.00 14.89  ? 188 LYS B O   1 
ATOM   1536 C CB  . LYS A 1 182 ? -26.162 0.644   -20.942 1.00 16.11  ? 188 LYS B CB  1 
ATOM   1537 C CG  . LYS A 1 182 ? -27.337 1.575   -20.715 1.00 19.73  ? 188 LYS B CG  1 
ATOM   1538 C CD  . LYS A 1 182 ? -26.899 2.898   -20.083 1.00 23.64  ? 188 LYS B CD  1 
ATOM   1539 C CE  . LYS A 1 182 ? -28.021 3.792   -19.624 1.00 30.24  ? 188 LYS B CE  1 
ATOM   1540 N NZ  . LYS A 1 182 ? -27.471 4.966   -18.892 1.00 34.63  ? 188 LYS B NZ  1 
ATOM   1541 N N   . LEU A 1 183 ? -24.469 -1.563  -22.787 1.00 15.11  ? 189 LEU B N   1 
ATOM   1542 C CA  . LEU A 1 183 ? -23.127 -2.196  -22.789 1.00 14.92  ? 189 LEU B CA  1 
ATOM   1543 C C   . LEU A 1 183 ? -22.117 -1.269  -22.127 1.00 17.03  ? 189 LEU B C   1 
ATOM   1544 O O   . LEU A 1 183 ? -21.955 -0.132  -22.606 1.00 20.98  ? 189 LEU B O   1 
ATOM   1545 C CB  . LEU A 1 183 ? -22.741 -2.580  -24.214 1.00 15.54  ? 189 LEU B CB  1 
ATOM   1546 C CG  . LEU A 1 183 ? -23.492 -3.828  -24.689 1.00 16.51  ? 189 LEU B CG  1 
ATOM   1547 C CD1 . LEU A 1 183 ? -23.681 -3.902  -26.192 1.00 21.26  ? 189 LEU B CD1 1 
ATOM   1548 C CD2 . LEU A 1 183 ? -22.849 -5.097  -24.123 1.00 15.02  ? 189 LEU B CD2 1 
ATOM   1549 N N   . CYS A 1 184 ? -21.492 -1.731  -21.056 1.00 17.80  ? 190 CYS B N   1 
ATOM   1550 C CA  . CYS A 1 184 ? -20.580 -0.887  -20.220 1.00 19.92  ? 190 CYS B CA  1 
ATOM   1551 C C   . CYS A 1 184 ? -19.223 -0.778  -20.867 1.00 22.14  ? 190 CYS B C   1 
ATOM   1552 O O   . CYS A 1 184 ? -18.719 -1.707  -21.454 1.00 21.78  ? 190 CYS B O   1 
ATOM   1553 C CB  . CYS A 1 184 ? -20.259 -1.547  -18.901 1.00 21.94  ? 190 CYS B CB  1 
ATOM   1554 S SG  . CYS A 1 184 ? -21.707 -2.035  -17.968 1.00 23.95  ? 190 CYS B SG  1 
ATOM   1555 N N   . PRO A 1 185 ? -18.553 0.370   -20.691 1.00 27.46  ? 191 PRO B N   1 
ATOM   1556 C CA  . PRO A 1 185 ? -17.219 0.553   -21.219 1.00 30.39  ? 191 PRO B CA  1 
ATOM   1557 C C   . PRO A 1 185 ? -16.219 -0.396  -20.551 1.00 29.62  ? 191 PRO B C   1 
ATOM   1558 O O   . PRO A 1 185 ? -16.371 -0.697  -19.372 1.00 29.65  ? 191 PRO B O   1 
ATOM   1559 C CB  . PRO A 1 185 ? -16.951 2.040   -20.901 1.00 30.57  ? 191 PRO B CB  1 
ATOM   1560 C CG  . PRO A 1 185 ? -17.841 2.385   -19.742 1.00 33.35  ? 191 PRO B CG  1 
ATOM   1561 C CD  . PRO A 1 185 ? -19.066 1.536   -19.954 1.00 28.82  ? 191 PRO B CD  1 
ATOM   1562 N N   . LEU A 1 186 ? -15.253 -0.823  -21.357 1.00 33.70  ? 192 LEU B N   1 
ATOM   1563 C CA  . LEU A 1 186 ? -14.001 -1.550  -21.027 1.00 38.86  ? 192 LEU B CA  1 
ATOM   1564 C C   . LEU A 1 186 ? -13.105 -0.673  -20.150 1.00 43.81  ? 192 LEU B C   1 
ATOM   1565 O O   . LEU A 1 186 ? -12.425 -1.238  -19.280 1.00 51.02  ? 192 LEU B O   1 
ATOM   1566 C CB  . LEU A 1 186 ? -13.291 -1.860  -22.351 1.00 38.81  ? 192 LEU B CB  1 
HETATM 1567 C C1  . EDO B 2 .   ? -45.667 -3.506  -22.934 1.00 29.61  ? 201 EDO B C1  1 
HETATM 1568 O O1  . EDO B 2 .   ? -44.330 -3.178  -23.215 1.00 23.08  ? 201 EDO B O1  1 
HETATM 1569 C C2  . EDO B 2 .   ? -46.483 -3.997  -24.069 1.00 38.00  ? 201 EDO B C2  1 
HETATM 1570 O O2  . EDO B 2 .   ? -46.282 -3.233  -25.237 1.00 44.03  ? 201 EDO B O2  1 
HETATM 1571 C C4  . UVA C 3 .   ? -36.355 9.021   -23.242 1.00 96.80  ? 202 UVA B C4  1 
HETATM 1572 C C5  . UVA C 3 .   ? -36.736 8.452   -22.037 1.00 98.97  ? 202 UVA B C5  1 
HETATM 1573 C C6  . UVA C 3 .   ? -35.878 7.589   -21.363 1.00 103.97 ? 202 UVA B C6  1 
HETATM 1574 C C7  . UVA C 3 .   ? -35.299 7.530   -18.638 1.00 103.90 ? 202 UVA B C7  1 
HETATM 1575 N N   . UVA C 3 .   ? -33.758 6.433   -21.254 1.00 96.91  ? 202 UVA B N   1 
HETATM 1576 C C   . UVA C 3 .   ? -32.312 6.451   -21.377 1.00 93.27  ? 202 UVA B C   1 
HETATM 1577 O O   . UVA C 3 .   ? -37.725 7.385   -19.529 1.00 103.03 ? 202 UVA B O   1 
HETATM 1578 C C1  . UVA C 3 .   ? -34.605 7.296   -21.915 1.00 102.85 ? 202 UVA B C1  1 
HETATM 1579 C C2  . UVA C 3 .   ? -34.251 7.883   -23.139 1.00 100.38 ? 202 UVA B C2  1 
HETATM 1580 C C3  . UVA C 3 .   ? -35.123 8.737   -23.786 1.00 96.76  ? 202 UVA B C3  1 
HETATM 1581 O O1  . UVA C 3 .   ? -36.225 5.464   -19.890 1.00 106.37 ? 202 UVA B O1  1 
HETATM 1582 S S   . UVA C 3 .   ? -36.412 6.887   -19.828 1.00 104.83 ? 202 UVA B S   1 
HETATM 1583 N N1  . EPE D 4 .   ? -38.964 -15.528 -19.801 1.00 43.80  ? 203 EPE B N1  1 
HETATM 1584 C C2  . EPE D 4 .   ? -38.555 -14.582 -20.856 1.00 41.47  ? 203 EPE B C2  1 
HETATM 1585 C C3  . EPE D 4 .   ? -38.695 -13.151 -20.396 1.00 38.56  ? 203 EPE B C3  1 
HETATM 1586 N N4  . EPE D 4 .   ? -37.878 -12.894 -19.204 1.00 35.02  ? 203 EPE B N4  1 
HETATM 1587 C C5  . EPE D 4 .   ? -38.255 -13.838 -18.141 1.00 35.62  ? 203 EPE B C5  1 
HETATM 1588 C C6  . EPE D 4 .   ? -38.152 -15.269 -18.604 1.00 40.08  ? 203 EPE B C6  1 
HETATM 1589 C C7  . EPE D 4 .   ? -38.043 -11.515 -18.745 1.00 33.44  ? 203 EPE B C7  1 
HETATM 1590 C C8  . EPE D 4 .   ? -37.963 -10.469 -19.845 1.00 33.03  ? 203 EPE B C8  1 
HETATM 1591 O O8  . EPE D 4 .   ? -39.131 -10.400 -20.651 1.00 30.38  ? 203 EPE B O8  1 
HETATM 1592 C C9  . EPE D 4 .   ? -38.759 -16.916 -20.263 1.00 47.22  ? 203 EPE B C9  1 
HETATM 1593 C C10 . EPE D 4 .   ? -39.924 -17.874 -20.011 1.00 47.65  ? 203 EPE B C10 1 
HETATM 1594 S S   . EPE D 4 .   ? -39.579 -19.478 -20.701 1.00 48.57  ? 203 EPE B S   1 
HETATM 1595 O O1S . EPE D 4 .   ? -38.237 -19.372 -21.220 1.00 37.32  ? 203 EPE B O1S 1 
HETATM 1596 O O2S . EPE D 4 .   ? -40.662 -19.777 -21.598 1.00 45.43  ? 203 EPE B O2S 1 
HETATM 1597 O O3S . EPE D 4 .   ? -39.674 -20.366 -19.432 1.00 43.73  ? 203 EPE B O3S 1 
HETATM 1598 C C1  . EDO E 2 .   ? -50.679 -16.904 -33.191 1.00 40.31  ? 204 EDO B C1  1 
HETATM 1599 O O1  . EDO E 2 .   ? -49.337 -16.458 -33.085 1.00 33.35  ? 204 EDO B O1  1 
HETATM 1600 C C2  . EDO E 2 .   ? -51.260 -17.237 -31.888 1.00 39.85  ? 204 EDO B C2  1 
HETATM 1601 O O2  . EDO E 2 .   ? -51.197 -16.165 -30.990 1.00 47.46  ? 204 EDO B O2  1 
HETATM 1602 S S   . SO4 F 5 .   ? -40.520 -24.652 -26.319 1.00 40.61  ? 205 SO4 B S   1 
HETATM 1603 O O1  . SO4 F 5 .   ? -39.821 -23.658 -27.098 1.00 27.67  ? 205 SO4 B O1  1 
HETATM 1604 O O2  . SO4 F 5 .   ? -41.404 -25.389 -27.166 1.00 45.15  ? 205 SO4 B O2  1 
HETATM 1605 O O3  . SO4 F 5 .   ? -39.545 -25.551 -25.734 1.00 46.37  ? 205 SO4 B O3  1 
HETATM 1606 O O4  . SO4 F 5 .   ? -41.282 -24.037 -25.244 1.00 42.08  ? 205 SO4 B O4  1 
HETATM 1607 O O   . HOH G 6 .   ? -22.779 -1.848  -9.770  1.00 28.15  ? 301 HOH B O   1 
HETATM 1608 O O   . HOH G 6 .   ? -45.835 3.696   -34.132 1.00 23.75  ? 302 HOH B O   1 
HETATM 1609 O O   . HOH G 6 .   ? -26.931 -28.509 -27.864 1.00 24.35  ? 303 HOH B O   1 
HETATM 1610 O O   . HOH G 6 .   ? -47.180 1.553   -25.640 1.00 34.09  ? 304 HOH B O   1 
HETATM 1611 O O   . HOH G 6 .   ? -38.711 -15.365 -11.626 1.00 36.46  ? 305 HOH B O   1 
HETATM 1612 O O   . HOH G 6 .   ? -45.149 7.396   -24.622 1.00 42.11  ? 306 HOH B O   1 
HETATM 1613 O O   . HOH G 6 .   ? -33.940 4.896   -16.947 1.00 34.29  ? 307 HOH B O   1 
HETATM 1614 O O   . HOH G 6 .   ? -40.209 -1.193  -9.769  1.00 31.11  ? 308 HOH B O   1 
HETATM 1615 O O   . HOH G 6 .   ? -18.727 -21.999 -35.851 1.00 18.75  ? 309 HOH B O   1 
HETATM 1616 O O   . HOH G 6 .   ? -13.501 -23.550 -31.638 1.00 17.34  ? 310 HOH B O   1 
HETATM 1617 O O   . HOH G 6 .   ? -38.584 0.595   -11.898 1.00 38.99  ? 311 HOH B O   1 
HETATM 1618 O O   . HOH G 6 .   ? -33.007 1.101   -33.499 1.00 20.86  ? 312 HOH B O   1 
HETATM 1619 O O   . HOH G 6 .   ? -41.327 -8.028  -3.533  1.00 58.24  ? 313 HOH B O   1 
HETATM 1620 O O   . HOH G 6 .   ? -29.591 -12.464 -37.751 1.00 23.94  ? 314 HOH B O   1 
HETATM 1621 O O   . HOH G 6 .   ? -40.062 -11.640 -22.713 1.00 33.12  ? 315 HOH B O   1 
HETATM 1622 O O   . HOH G 6 .   ? -15.618 -5.386  -13.719 1.00 32.42  ? 316 HOH B O   1 
HETATM 1623 O O   . HOH G 6 .   ? -38.040 2.807   -22.731 1.00 21.47  ? 317 HOH B O   1 
HETATM 1624 O O   . HOH G 6 .   ? -36.341 5.411   -15.763 1.00 25.93  ? 318 HOH B O   1 
HETATM 1625 O O   . HOH G 6 .   ? -47.232 -16.986 -31.651 1.00 22.27  ? 319 HOH B O   1 
HETATM 1626 O O   . HOH G 6 .   ? -35.998 -22.566 -19.602 1.00 25.69  ? 320 HOH B O   1 
HETATM 1627 O O   . HOH G 6 .   ? -36.699 -23.046 -30.807 1.00 36.60  ? 321 HOH B O   1 
HETATM 1628 O O   . HOH G 6 .   ? -26.277 3.443   -35.278 1.00 34.23  ? 322 HOH B O   1 
HETATM 1629 O O   . HOH G 6 .   ? -24.557 -30.989 -22.042 1.00 37.64  ? 323 HOH B O   1 
HETATM 1630 O O   . HOH G 6 .   ? -35.912 -19.175 -30.507 1.00 33.40  ? 324 HOH B O   1 
HETATM 1631 O O   . HOH G 6 .   ? -8.976  -13.499 -25.197 1.00 38.13  ? 325 HOH B O   1 
HETATM 1632 O O   . HOH G 6 .   ? -45.588 0.093   -11.766 1.00 25.04  ? 326 HOH B O   1 
HETATM 1633 O O   . HOH G 6 .   ? -9.455  -18.681 -30.200 1.00 45.43  ? 327 HOH B O   1 
HETATM 1634 O O   . HOH G 6 .   ? -36.924 -16.323 -39.402 1.00 28.59  ? 328 HOH B O   1 
HETATM 1635 O O   . HOH G 6 .   ? -30.897 -6.738  -11.294 1.00 16.88  ? 329 HOH B O   1 
HETATM 1636 O O   . HOH G 6 .   ? -49.797 -1.608  -19.368 1.00 27.69  ? 330 HOH B O   1 
HETATM 1637 O O   . HOH G 6 .   ? -37.530 -25.405 -11.494 1.00 39.74  ? 331 HOH B O   1 
HETATM 1638 O O   . HOH G 6 .   ? -12.752 -21.331 -18.706 1.00 28.92  ? 332 HOH B O   1 
HETATM 1639 O O   . HOH G 6 .   ? -38.484 3.799   -42.115 1.00 29.39  ? 333 HOH B O   1 
HETATM 1640 O O   . HOH G 6 .   ? -19.497 -29.846 -15.633 1.00 29.75  ? 334 HOH B O   1 
HETATM 1641 O O   . HOH G 6 .   ? -17.657 -21.419 -12.440 1.00 19.38  ? 335 HOH B O   1 
HETATM 1642 O O   . HOH G 6 .   ? -36.753 -26.139 -23.783 1.00 34.28  ? 336 HOH B O   1 
HETATM 1643 O O   . HOH G 6 .   ? -10.957 -21.151 -25.115 1.00 32.37  ? 337 HOH B O   1 
HETATM 1644 O O   . HOH G 6 .   ? -16.820 -5.619  -9.372  1.00 33.64  ? 338 HOH B O   1 
HETATM 1645 O O   . HOH G 6 .   ? -45.297 -12.344 -26.557 1.00 32.08  ? 339 HOH B O   1 
HETATM 1646 O O   . HOH G 6 .   ? -32.888 -18.125 -37.255 1.00 33.43  ? 340 HOH B O   1 
HETATM 1647 O O   . HOH G 6 .   ? -23.340 4.361   -24.676 1.00 27.82  ? 341 HOH B O   1 
HETATM 1648 O O   . HOH G 6 .   ? -30.804 1.104   -16.968 1.00 27.88  ? 342 HOH B O   1 
HETATM 1649 O O   . HOH G 6 .   ? -26.604 1.930   -11.073 1.00 28.34  ? 343 HOH B O   1 
HETATM 1650 O O   . HOH G 6 .   ? -38.601 -7.661  -10.724 1.00 17.31  ? 344 HOH B O   1 
HETATM 1651 O O   . HOH G 6 .   ? -38.859 -2.514  -21.320 1.00 16.75  ? 345 HOH B O   1 
HETATM 1652 O O   . HOH G 6 .   ? -25.979 -22.708 -35.904 1.00 30.60  ? 346 HOH B O   1 
HETATM 1653 O O   . HOH G 6 .   ? -18.548 -4.600  -24.720 1.00 19.56  ? 347 HOH B O   1 
HETATM 1654 O O   . HOH G 6 .   ? -43.975 -0.745  -24.388 1.00 31.25  ? 348 HOH B O   1 
HETATM 1655 O O   . HOH G 6 .   ? -32.407 4.719   -33.001 1.00 24.38  ? 349 HOH B O   1 
HETATM 1656 O O   . HOH G 6 .   ? -30.893 -20.364 -21.347 1.00 13.23  ? 350 HOH B O   1 
HETATM 1657 O O   . HOH G 6 .   ? -13.599 -21.019 -35.263 1.00 31.83  ? 351 HOH B O   1 
HETATM 1658 O O   . HOH G 6 .   ? -17.586 -27.676 -19.654 1.00 20.16  ? 352 HOH B O   1 
HETATM 1659 O O   . HOH G 6 .   ? -19.496 -4.296  -22.043 1.00 17.70  ? 353 HOH B O   1 
HETATM 1660 O O   . HOH G 6 .   ? -35.483 -17.205 -8.144  1.00 49.82  ? 354 HOH B O   1 
HETATM 1661 O O   . HOH G 6 .   ? -45.664 -14.777 -27.574 1.00 37.02  ? 355 HOH B O   1 
HETATM 1662 O O   . HOH G 6 .   ? -30.313 -23.951 -34.122 1.00 24.51  ? 356 HOH B O   1 
HETATM 1663 O O   . HOH G 6 .   ? -17.968 -19.870 -37.548 1.00 28.37  ? 357 HOH B O   1 
HETATM 1664 O O   . HOH G 6 .   ? -10.403 -23.536 -21.847 1.00 31.86  ? 358 HOH B O   1 
HETATM 1665 O O   . HOH G 6 .   ? -16.175 -19.576 -15.716 1.00 25.85  ? 359 HOH B O   1 
HETATM 1666 O O   . HOH G 6 .   ? -19.920 1.882   -30.523 1.00 32.94  ? 360 HOH B O   1 
HETATM 1667 O O   . HOH G 6 .   ? -34.185 -22.027 -31.419 1.00 19.54  ? 361 HOH B O   1 
HETATM 1668 O O   . HOH G 6 .   ? -28.455 -21.661 -8.924  1.00 19.61  ? 362 HOH B O   1 
HETATM 1669 O O   . HOH G 6 .   ? -42.406 -3.953  -39.428 1.00 23.88  ? 363 HOH B O   1 
HETATM 1670 O O   . HOH G 6 .   ? -35.755 -3.912  -9.996  1.00 47.65  ? 364 HOH B O   1 
HETATM 1671 O O   . HOH G 6 .   ? -40.819 -14.532 -8.370  1.00 28.02  ? 365 HOH B O   1 
HETATM 1672 O O   . HOH G 6 .   ? -26.590 -25.822 -16.424 1.00 18.28  ? 366 HOH B O   1 
HETATM 1673 O O   . HOH G 6 .   ? -23.991 1.168   -10.733 1.00 32.53  ? 367 HOH B O   1 
HETATM 1674 O O   . HOH G 6 .   ? -36.327 -1.829  -33.827 1.00 20.16  ? 368 HOH B O   1 
HETATM 1675 O O   . HOH G 6 .   ? -18.028 -4.439  -5.971  1.00 42.33  ? 369 HOH B O   1 
HETATM 1676 O O   . HOH G 6 .   ? -41.060 -9.299  -36.641 1.00 29.79  ? 370 HOH B O   1 
HETATM 1677 O O   . HOH G 6 .   ? -20.992 -16.426 -5.529  1.00 18.49  ? 371 HOH B O   1 
HETATM 1678 O O   . HOH G 6 .   ? -25.611 -14.306 -3.266  1.00 34.38  ? 372 HOH B O   1 
HETATM 1679 O O   . HOH G 6 .   ? -23.321 2.282   -23.034 1.00 31.93  ? 373 HOH B O   1 
HETATM 1680 O O   . HOH G 6 .   ? -26.815 -17.715 -7.766  1.00 17.93  ? 374 HOH B O   1 
HETATM 1681 O O   . HOH G 6 .   ? -42.633 -5.837  -12.234 1.00 23.98  ? 375 HOH B O   1 
HETATM 1682 O O   . HOH G 6 .   ? -36.612 -0.972  -22.067 1.00 14.69  ? 376 HOH B O   1 
HETATM 1683 O O   . HOH G 6 .   ? -35.676 -4.608  -42.125 1.00 24.31  ? 377 HOH B O   1 
HETATM 1684 O O   . HOH G 6 .   ? -9.536  -20.809 -28.935 1.00 41.88  ? 378 HOH B O   1 
HETATM 1685 O O   . HOH G 6 .   ? -40.380 -14.391 -31.390 1.00 15.26  ? 379 HOH B O   1 
HETATM 1686 O O   . HOH G 6 .   ? -27.206 -20.339 -6.998  1.00 18.04  ? 380 HOH B O   1 
HETATM 1687 O O   . HOH G 6 .   ? -27.805 -27.560 -25.819 1.00 31.76  ? 381 HOH B O   1 
HETATM 1688 O O   . HOH G 6 .   ? -34.003 -21.854 -36.653 1.00 38.22  ? 382 HOH B O   1 
HETATM 1689 O O   . HOH G 6 .   ? -45.805 -19.668 -31.626 1.00 29.04  ? 383 HOH B O   1 
HETATM 1690 O O   . HOH G 6 .   ? -32.394 -5.058  -12.894 1.00 15.39  ? 384 HOH B O   1 
HETATM 1691 O O   . HOH G 6 .   ? -24.059 -12.443 -6.573  1.00 20.99  ? 385 HOH B O   1 
HETATM 1692 O O   . HOH G 6 .   ? -37.085 0.847   -15.514 1.00 17.27  ? 386 HOH B O   1 
HETATM 1693 O O   . HOH G 6 .   ? -45.103 -7.850  -38.984 1.00 17.79  ? 387 HOH B O   1 
HETATM 1694 O O   . HOH G 6 .   ? -15.069 -19.775 -37.619 1.00 27.90  ? 388 HOH B O   1 
HETATM 1695 O O   . HOH G 6 .   ? -21.118 -5.898  -2.169  1.00 42.00  ? 389 HOH B O   1 
HETATM 1696 O O   . HOH G 6 .   ? -19.170 -29.174 -23.510 1.00 29.71  ? 390 HOH B O   1 
HETATM 1697 O O   . HOH G 6 .   ? -14.576 -16.557 -33.241 1.00 29.67  ? 391 HOH B O   1 
HETATM 1698 O O   . HOH G 6 .   ? -25.782 -27.027 -23.913 1.00 18.30  ? 392 HOH B O   1 
HETATM 1699 O O   . HOH G 6 .   ? -41.188 -8.843  -19.350 1.00 16.11  ? 393 HOH B O   1 
HETATM 1700 O O   . HOH G 6 .   ? -41.951 1.455   -22.546 1.00 33.31  ? 394 HOH B O   1 
HETATM 1701 O O   . HOH G 6 .   ? -46.027 -4.300  -33.934 1.00 24.47  ? 395 HOH B O   1 
HETATM 1702 O O   . HOH G 6 .   ? -33.532 -1.846  -38.366 1.00 27.56  ? 396 HOH B O   1 
HETATM 1703 O O   . HOH G 6 .   ? -9.463  -15.974 -26.598 1.00 28.82  ? 397 HOH B O   1 
HETATM 1704 O O   . HOH G 6 .   ? -34.854 -9.069  -6.117  1.00 46.23  ? 398 HOH B O   1 
HETATM 1705 O O   . HOH G 6 .   ? -33.463 -14.963 -6.960  1.00 22.32  ? 399 HOH B O   1 
HETATM 1706 O O   . HOH G 6 .   ? -25.416 -10.487 -23.554 1.00 14.98  ? 400 HOH B O   1 
HETATM 1707 O O   . HOH G 6 .   ? -41.497 -8.535  -13.294 1.00 22.22  ? 401 HOH B O   1 
HETATM 1708 O O   . HOH G 6 .   ? -38.787 3.822   -13.622 1.00 37.66  ? 402 HOH B O   1 
HETATM 1709 O O   . HOH G 6 .   ? -23.800 -21.053 -38.871 1.00 23.95  ? 403 HOH B O   1 
HETATM 1710 O O   . HOH G 6 .   ? -18.382 -17.349 -36.348 1.00 26.13  ? 404 HOH B O   1 
HETATM 1711 O O   . HOH G 6 .   ? -24.899 -15.091 -6.833  1.00 17.96  ? 405 HOH B O   1 
HETATM 1712 O O   . HOH G 6 .   ? -12.824 -18.486 -34.875 1.00 37.31  ? 406 HOH B O   1 
HETATM 1713 O O   . HOH G 6 .   ? -31.587 3.438   -26.837 1.00 24.82  ? 407 HOH B O   1 
HETATM 1714 O O   . HOH G 6 .   ? -28.985 7.787   -30.118 1.00 33.76  ? 408 HOH B O   1 
HETATM 1715 O O   . HOH G 6 .   ? -16.092 -14.693 -8.672  1.00 35.30  ? 409 HOH B O   1 
HETATM 1716 O O   . HOH G 6 .   ? -41.165 -5.932  -38.009 1.00 33.42  ? 410 HOH B O   1 
HETATM 1717 O O   . HOH G 6 .   ? -36.500 -0.271  -42.121 1.00 37.27  ? 411 HOH B O   1 
HETATM 1718 O O   . HOH G 6 .   ? -18.062 -16.059 -6.153  1.00 24.00  ? 412 HOH B O   1 
HETATM 1719 O O   . HOH G 6 .   ? -25.310 6.920   -29.008 1.00 31.63  ? 413 HOH B O   1 
HETATM 1720 O O   . HOH G 6 .   ? -17.952 -11.114 -35.582 1.00 27.04  ? 414 HOH B O   1 
HETATM 1721 O O   . HOH G 6 .   ? -43.416 3.746   -18.764 1.00 21.73  ? 415 HOH B O   1 
HETATM 1722 O O   . HOH G 6 .   ? -40.484 -7.462  -34.636 1.00 24.81  ? 416 HOH B O   1 
HETATM 1723 O O   . HOH G 6 .   ? -42.495 -4.973  -43.724 1.00 23.49  ? 417 HOH B O   1 
HETATM 1724 O O   . HOH G 6 .   ? -24.861 -11.135 -4.154  1.00 26.76  ? 418 HOH B O   1 
HETATM 1725 O O   . HOH G 6 .   ? -31.162 4.081   -24.352 1.00 25.86  ? 419 HOH B O   1 
HETATM 1726 O O   . HOH G 6 .   ? -40.836 6.395   -33.180 1.00 33.28  ? 420 HOH B O   1 
HETATM 1727 O O   . HOH G 6 .   ? -15.904 -12.191 -5.595  1.00 44.16  ? 421 HOH B O   1 
HETATM 1728 O O   . HOH G 6 .   ? -13.272 -6.294  -29.219 1.00 33.64  ? 422 HOH B O   1 
HETATM 1729 O O   . HOH G 6 .   ? -34.387 -7.238  -7.886  1.00 31.06  ? 423 HOH B O   1 
HETATM 1730 O O   . HOH G 6 .   ? -52.639 -14.283 -29.025 1.00 47.77  ? 424 HOH B O   1 
HETATM 1731 O O   . HOH G 6 .   ? -41.310 5.456   -28.499 1.00 32.83  ? 425 HOH B O   1 
HETATM 1732 O O   . HOH G 6 .   ? -30.814 -17.422 -42.743 1.00 37.54  ? 426 HOH B O   1 
HETATM 1733 O O   . HOH G 6 .   ? -24.358 -4.249  -36.907 1.00 38.53  ? 427 HOH B O   1 
HETATM 1734 O O   . HOH G 6 .   ? -16.104 -7.379  -11.355 1.00 33.42  ? 428 HOH B O   1 
HETATM 1735 O O   . HOH G 6 .   ? -19.946 2.409   -23.935 1.00 39.03  ? 429 HOH B O   1 
HETATM 1736 O O   . HOH G 6 .   ? -32.789 -23.606 -33.412 1.00 34.45  ? 430 HOH B O   1 
HETATM 1737 O O   . HOH G 6 .   ? -47.819 0.000   -32.808 0.50 25.72  ? 431 HOH B O   1 
HETATM 1738 O O   . HOH G 6 .   ? -36.748 -6.604  -8.904  1.00 30.62  ? 432 HOH B O   1 
HETATM 1739 O O   . HOH G 6 .   ? -8.418  -23.154 -30.205 1.00 33.07  ? 433 HOH B O   1 
HETATM 1740 O O   . HOH G 6 .   ? -21.790 6.937   -32.308 1.00 34.16  ? 434 HOH B O   1 
HETATM 1741 O O   . HOH G 6 .   ? -26.279 -28.226 -21.507 1.00 40.60  ? 435 HOH B O   1 
HETATM 1742 O O   . HOH G 6 .   ? -22.908 3.343   -20.622 1.00 39.75  ? 436 HOH B O   1 
HETATM 1743 O O   . HOH G 6 .   ? -38.836 -16.418 -40.912 1.00 40.38  ? 437 HOH B O   1 
HETATM 1744 O O   . HOH G 6 .   ? -36.722 2.161   -43.067 1.00 42.69  ? 438 HOH B O   1 
HETATM 1745 O O   . HOH G 6 .   ? -15.906 -22.336 -14.591 1.00 28.99  ? 439 HOH B O   1 
HETATM 1746 O O   . HOH G 6 .   ? -42.242 -13.029 -22.362 1.00 33.12  ? 440 HOH B O   1 
HETATM 1747 O O   . HOH G 6 .   ? -28.385 -27.833 -16.872 1.00 24.32  ? 441 HOH B O   1 
HETATM 1748 O O   . HOH G 6 .   ? -16.093 -26.931 -17.280 1.00 38.06  ? 442 HOH B O   1 
HETATM 1749 O O   . HOH G 6 .   ? -26.449 -31.212 -24.002 1.00 29.47  ? 443 HOH B O   1 
# 
