data_7HM7
# 
_entry.id   7HM7 
# 
_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   7HM7         pdb_00007hm7 10.2210/pdb7hm7/pdb 
WWPDB D_1001407649 ?            ?                   
# 
_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                        7HM7 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-04 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.SG_entry                        ? 
_pdbx_database_status.pdb_format_compatible           N 
_pdbx_database_status.methods_development_category    ? 
# 
_pdbx_contact_author.id                 1 
_pdbx_contact_author.email              knapp@pharmchem.uni-frankfurt.de 
_pdbx_contact_author.name_first         Stefan 
_pdbx_contact_author.name_last          Knapp 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-5995-6494 
_pdbx_contact_author.name_mi            ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Kim, Y.'                              1 
'Marples, P.'                          2 
'Fearon, D.'                           3 
'von Delft, F.'                        4 
'Knapp, S.'                            5 
'Kraemer, A.'                          6 
'Structural Genomics Consortium (SGC)' 7 
# 
_citation.id                        primary 
_citation.title                     'PanDDA analysis group deposition' 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_volume            ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.year                      ? 
_citation.journal_id_ASTM           ? 
_citation.country                   ? 
_citation.journal_id_ISSN           ? 
_citation.journal_id_CSD            0353 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_DOI      ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.identifier_ORCID 
_citation_author.ordinal 
primary 'Kim, Y.'                              ? 1 
primary 'Marples, P.'                          ? 2 
primary 'Fearon, D.'                           ? 3 
primary 'von Delft, F.'                        ? 4 
primary 'Knapp, S.'                            ? 5 
primary 'Kraemer, A.'                          ? 6 
primary 'Structural Genomics Consortium (SGC)' ? 7 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'E3 ubiquitin-protein ligase TRIM21'                  21596.361 1   2.3.2.27 ? ? ? 
2 non-polymer syn 1,2-ETHANEDIOL                                        62.068    2   ?        ? ? ? 
3 non-polymer syn 'N-(6-methyl-2H-1,3-benzodioxol-5-yl)acetamide'       193.199   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-(6-methyl-2H-1,3-benzodioxol-5-yl)acetamide'       A1BFH 
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 
A1BFH non-polymer         . 'N-(6-methyl-2H-1,3-benzodioxol-5-yl)acetamide'       ?                 'C10 H11 N O3'   193.199 
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 
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        A1BFH 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1BFH 
_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 A1BFH 1   202 302 A1BFH LIG B . 
D 4 EPE   1   203 401 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   301 107 HOH   HOH B . 
G 6 HOH   2   302 29  HOH   HOH B . 
G 6 HOH   3   303 2   HOH   HOH B . 
G 6 HOH   4   304 11  HOH   HOH B . 
G 6 HOH   5   305 1   HOH   HOH B . 
G 6 HOH   6   306 99  HOH   HOH B . 
G 6 HOH   7   307 21  HOH   HOH B . 
G 6 HOH   8   308 12  HOH   HOH B . 
G 6 HOH   9   309 184 HOH   HOH B . 
G 6 HOH   10  310 33  HOH   HOH B . 
G 6 HOH   11  311 26  HOH   HOH B . 
G 6 HOH   12  312 16  HOH   HOH B . 
G 6 HOH   13  313 4   HOH   HOH B . 
G 6 HOH   14  314 63  HOH   HOH B . 
G 6 HOH   15  315 51  HOH   HOH B . 
G 6 HOH   16  316 80  HOH   HOH B . 
G 6 HOH   17  317 40  HOH   HOH B . 
G 6 HOH   18  318 90  HOH   HOH B . 
G 6 HOH   19  319 5   HOH   HOH B . 
G 6 HOH   20  320 27  HOH   HOH B . 
G 6 HOH   21  321 95  HOH   HOH B . 
G 6 HOH   22  322 102 HOH   HOH B . 
G 6 HOH   23  323 25  HOH   HOH B . 
G 6 HOH   24  324 16  HOH   HOH B . 
G 6 HOH   25  325 31  HOH   HOH B . 
G 6 HOH   26  326 11  HOH   HOH B . 
G 6 HOH   27  327 211 HOH   HOH B . 
G 6 HOH   28  328 10  HOH   HOH B . 
G 6 HOH   29  329 34  HOH   HOH B . 
G 6 HOH   30  330 129 HOH   HOH B . 
G 6 HOH   31  331 39  HOH   HOH B . 
G 6 HOH   32  332 72  HOH   HOH B . 
G 6 HOH   33  333 36  HOH   HOH B . 
G 6 HOH   34  334 55  HOH   HOH B . 
G 6 HOH   35  335 20  HOH   HOH B . 
G 6 HOH   36  336 100 HOH   HOH B . 
G 6 HOH   37  337 18  HOH   HOH B . 
G 6 HOH   38  338 68  HOH   HOH B . 
G 6 HOH   39  339 2   HOH   HOH B . 
G 6 HOH   40  340 32  HOH   HOH B . 
G 6 HOH   41  341 58  HOH   HOH B . 
G 6 HOH   42  342 70  HOH   HOH B . 
G 6 HOH   43  343 62  HOH   HOH B . 
G 6 HOH   44  344 9   HOH   HOH B . 
G 6 HOH   45  345 157 HOH   HOH B . 
G 6 HOH   46  346 7   HOH   HOH B . 
G 6 HOH   47  347 22  HOH   HOH B . 
G 6 HOH   48  348 19  HOH   HOH B . 
G 6 HOH   49  349 66  HOH   HOH B . 
G 6 HOH   50  350 126 HOH   HOH B . 
G 6 HOH   51  351 50  HOH   HOH B . 
G 6 HOH   52  352 27  HOH   HOH B . 
G 6 HOH   53  353 59  HOH   HOH B . 
G 6 HOH   54  354 73  HOH   HOH B . 
G 6 HOH   55  355 15  HOH   HOH B . 
G 6 HOH   56  356 81  HOH   HOH B . 
G 6 HOH   57  357 10  HOH   HOH B . 
G 6 HOH   58  358 26  HOH   HOH B . 
G 6 HOH   59  359 29  HOH   HOH B . 
G 6 HOH   60  360 76  HOH   HOH B . 
G 6 HOH   61  361 267 HOH   HOH B . 
G 6 HOH   62  362 61  HOH   HOH B . 
G 6 HOH   63  363 93  HOH   HOH B . 
G 6 HOH   64  364 86  HOH   HOH B . 
G 6 HOH   65  365 89  HOH   HOH B . 
G 6 HOH   66  366 4   HOH   HOH B . 
G 6 HOH   67  367 64  HOH   HOH B . 
G 6 HOH   68  368 1   HOH   HOH B . 
G 6 HOH   69  369 281 HOH   HOH B . 
G 6 HOH   70  370 6   HOH   HOH B . 
G 6 HOH   71  371 43  HOH   HOH B . 
G 6 HOH   72  372 156 HOH   HOH B . 
G 6 HOH   73  373 47  HOH   HOH B . 
G 6 HOH   74  374 304 HOH   HOH B . 
G 6 HOH   75  375 71  HOH   HOH B . 
G 6 HOH   76  376 3   HOH   HOH B . 
G 6 HOH   77  377 25  HOH   HOH B . 
G 6 HOH   78  378 24  HOH   HOH B . 
G 6 HOH   79  379 172 HOH   HOH B . 
G 6 HOH   80  380 112 HOH   HOH B . 
G 6 HOH   81  381 14  HOH   HOH B . 
G 6 HOH   82  382 137 HOH   HOH B . 
G 6 HOH   83  383 8   HOH   HOH B . 
G 6 HOH   84  384 32  HOH   HOH B . 
G 6 HOH   85  385 125 HOH   HOH B . 
G 6 HOH   86  386 13  HOH   HOH B . 
G 6 HOH   87  387 33  HOH   HOH B . 
G 6 HOH   88  388 85  HOH   HOH B . 
G 6 HOH   89  389 3   HOH   HOH B . 
G 6 HOH   90  390 82  HOH   HOH B . 
G 6 HOH   91  391 264 HOH   HOH B . 
G 6 HOH   92  392 46  HOH   HOH B . 
G 6 HOH   93  393 214 HOH   HOH B . 
G 6 HOH   94  394 8   HOH   HOH B . 
G 6 HOH   95  395 303 HOH   HOH B . 
G 6 HOH   96  396 48  HOH   HOH B . 
G 6 HOH   97  397 17  HOH   HOH B . 
G 6 HOH   98  398 12  HOH   HOH B . 
G 6 HOH   99  399 97  HOH   HOH B . 
G 6 HOH   100 400 23  HOH   HOH B . 
G 6 HOH   101 401 30  HOH   HOH B . 
G 6 HOH   102 402 56  HOH   HOH B . 
G 6 HOH   103 403 197 HOH   HOH B . 
G 6 HOH   104 404 49  HOH   HOH B . 
G 6 HOH   105 405 60  HOH   HOH B . 
G 6 HOH   106 406 45  HOH   HOH B . 
G 6 HOH   107 407 42  HOH   HOH B . 
G 6 HOH   108 408 5   HOH   HOH B . 
G 6 HOH   109 409 20  HOH   HOH B . 
G 6 HOH   110 410 103 HOH   HOH B . 
G 6 HOH   111 411 7   HOH   HOH B . 
G 6 HOH   112 412 263 HOH   HOH B . 
G 6 HOH   113 413 34  HOH   HOH B . 
G 6 HOH   114 414 54  HOH   HOH B . 
G 6 HOH   115 415 18  HOH   HOH B . 
G 6 HOH   116 416 257 HOH   HOH B . 
G 6 HOH   117 417 15  HOH   HOH B . 
G 6 HOH   118 418 154 HOH   HOH B . 
G 6 HOH   119 419 57  HOH   HOH B . 
G 6 HOH   120 420 38  HOH   HOH B . 
G 6 HOH   121 421 22  HOH   HOH B . 
G 6 HOH   122 422 53  HOH   HOH B . 
G 6 HOH   123 423 140 HOH   HOH B . 
G 6 HOH   124 424 44  HOH   HOH B . 
G 6 HOH   125 425 41  HOH   HOH B . 
G 6 HOH   126 426 69  HOH   HOH B . 
G 6 HOH   127 427 19  HOH   HOH B . 
G 6 HOH   128 428 30  HOH   HOH B . 
G 6 HOH   129 429 266 HOH   HOH B . 
G 6 HOH   130 430 114 HOH   HOH B . 
G 6 HOH   131 431 133 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 13  HOH   HOH B . 
G 6 HOH   135 435 21  HOH   HOH B . 
G 6 HOH   136 436 98  HOH   HOH B . 
G 6 HOH   137 437 104 HOH   HOH B . 
G 6 HOH   138 438 205 HOH   HOH B . 
G 6 HOH   139 439 166 HOH   HOH B . 
G 6 HOH   140 440 127 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           7HM7 
_cell.length_a           95.452 
_cell.length_b           95.452 
_cell.length_c           45.760 
_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                         7HM7 
_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          7HM7 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.41 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   49.03 
_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                     7HM7 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             67.500 
_reflns.d_resolution_high            1.340 
_reflns.number_obs                   45004 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         97.200 
_reflns.pdbx_Rmerge_I_obs            0.097 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        17.300 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              12.100 
_reflns.pdbx_Rrim_I_all              0.101 
_reflns.pdbx_Rpim_I_all              0.028 
_reflns.pdbx_CC_half                 0.998 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     545357 
_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 1.340 1.360  ? 12348 1812 ? 1.598 ? ? ? 6.800  ? 1.000  ? ? ? ? ? ? 78.300 1.739 0.652 0.272 
1 2 7.220 67.500 ? 4022  328  ? 0.069 ? ? ? 12.300 ? 74.800 ? ? ? ? ? ? 99.900 0.072 0.021 0.999 
# 
_refine.entry_id                                 7HM7 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.3400 
_refine.ls_d_res_low                             67.4900 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    96.5900 
_refine.ls_number_reflns_obs                     42581 
_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                          0.1718 
_refine.ls_R_factor_R_work                       0.1707 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.1934 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.9000 
_refine.ls_number_reflns_R_free                  2173 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               16.5600 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.0400 
_refine.aniso_B[2][2]                            0.0400 
_refine.aniso_B[3][3]                            -0.0800 
_refine.aniso_B[1][2]                            -0.0000 
_refine.aniso_B[1][3]                            -0.0000 
_refine.aniso_B[2][3]                            -0.0000 
_refine.correlation_coeff_Fo_to_Fc               0.9660 
_refine.correlation_coeff_Fo_to_Fc_free          0.9560 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.overall_SU_R_free                        ? 
_refine.pdbx_overall_ESU_R                       0.0560 
_refine.pdbx_overall_ESU_R_Free                  0.0580 
_refine.overall_SU_ML                            0.0410 
_refine.overall_SU_B                             1.0280 
_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                                86.540 
_refine.B_iso_min                                8.390 
_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                       1.3400 
_refine_hist.d_res_low                        67.4900 
_refine_hist.pdbx_number_atoms_ligand         42 
_refine_hist.number_atoms_solvent             143 
_refine_hist.number_atoms_total               1678 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           27.45 
_refine_hist.pdbx_B_iso_mean_solvent          27.30 
_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       2116 0.013  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1664 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2626 1.832  1.638  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3844 1.436  1.577  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 241  7.075  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 110  27.511 21.182 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 288  11.022 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   20.361 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         220  0.092  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2306 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     516  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            974  1.476  1.467  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         965  1.467  1.452  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1153 2.380  2.188  ? ? 
# 
_refine_ls_shell.d_res_high                       1.3400 
_refine_ls_shell.d_res_low                        1.3750 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               73.8200 
_refine_ls_shell.number_reflns_R_work             2418 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.2790 
_refine_ls_shell.R_factor_R_free                  0.3240 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             100 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                2518 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HM7 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1635496816' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HM7 
_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              7HM7 
_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 7HM7 MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HM7 HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HM7 HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HM7 HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HM7 HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HM7 HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HM7 HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HM7 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       -2.73 
# 
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                   7HM7 
_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                125.41 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            13.61 
_pdbx_validate_rmsd_angle.angle_standard_deviation   2.10 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASN B 45  ? ? 73.31   34.25 
2 1 ASP B 152 ? ? -103.37 52.60 
# 
_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     430 
_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 
A1BFH N1   N N N 1   
A1BFH C4   C Y N 2   
A1BFH C5   C Y N 3   
A1BFH C6   C N N 4   
A1BFH C7   C Y N 5   
A1BFH C8   C Y N 6   
A1BFH C10  C N N 7   
A1BFH C1   C N N 8   
A1BFH C2   C N N 9   
A1BFH C3   C Y N 10  
A1BFH C9   C Y N 11  
A1BFH O1   O N N 12  
A1BFH O2   O N N 13  
A1BFH O3   O N N 14  
A1BFH H4   H N N 15  
A1BFH H5   H N N 16  
A1BFH H6   H N N 17  
A1BFH H7   H N N 18  
A1BFH H8   H N N 19  
A1BFH H9   H N N 20  
A1BFH H11  H N N 21  
A1BFH H10  H N N 22  
A1BFH H2   H N N 23  
A1BFH H1   H N N 24  
A1BFH H3   H N N 25  
ALA   N    N N N 26  
ALA   CA   C N S 27  
ALA   C    C N N 28  
ALA   O    O N N 29  
ALA   CB   C N N 30  
ALA   OXT  O N N 31  
ALA   H    H N N 32  
ALA   H2   H N N 33  
ALA   HA   H N N 34  
ALA   HB1  H N N 35  
ALA   HB2  H N N 36  
ALA   HB3  H N N 37  
ALA   HXT  H N N 38  
ARG   N    N N N 39  
ARG   CA   C N S 40  
ARG   C    C N N 41  
ARG   O    O N N 42  
ARG   CB   C N N 43  
ARG   CG   C N N 44  
ARG   CD   C N N 45  
ARG   NE   N N N 46  
ARG   CZ   C N N 47  
ARG   NH1  N N N 48  
ARG   NH2  N N N 49  
ARG   OXT  O N N 50  
ARG   H    H N N 51  
ARG   H2   H N N 52  
ARG   HA   H N N 53  
ARG   HB2  H N N 54  
ARG   HB3  H N N 55  
ARG   HG2  H N N 56  
ARG   HG3  H N N 57  
ARG   HD2  H N N 58  
ARG   HD3  H N N 59  
ARG   HE   H N N 60  
ARG   HH11 H N N 61  
ARG   HH12 H N N 62  
ARG   HH21 H N N 63  
ARG   HH22 H N N 64  
ARG   HXT  H N N 65  
ASN   N    N N N 66  
ASN   CA   C N S 67  
ASN   C    C N N 68  
ASN   O    O N N 69  
ASN   CB   C N N 70  
ASN   CG   C N N 71  
ASN   OD1  O N N 72  
ASN   ND2  N N N 73  
ASN   OXT  O N N 74  
ASN   H    H N N 75  
ASN   H2   H N N 76  
ASN   HA   H N N 77  
ASN   HB2  H N N 78  
ASN   HB3  H N N 79  
ASN   HD21 H N N 80  
ASN   HD22 H N N 81  
ASN   HXT  H N N 82  
ASP   N    N N N 83  
ASP   CA   C N S 84  
ASP   C    C N N 85  
ASP   O    O N N 86  
ASP   CB   C N N 87  
ASP   CG   C N N 88  
ASP   OD1  O N N 89  
ASP   OD2  O N N 90  
ASP   OXT  O N N 91  
ASP   H    H N N 92  
ASP   H2   H N N 93  
ASP   HA   H N N 94  
ASP   HB2  H N N 95  
ASP   HB3  H N N 96  
ASP   HD2  H N N 97  
ASP   HXT  H N N 98  
CYS   N    N N N 99  
CYS   CA   C N R 100 
CYS   C    C N N 101 
CYS   O    O N N 102 
CYS   CB   C N N 103 
CYS   SG   S N N 104 
CYS   OXT  O N N 105 
CYS   H    H N N 106 
CYS   H2   H N N 107 
CYS   HA   H N N 108 
CYS   HB2  H N N 109 
CYS   HB3  H N N 110 
CYS   HG   H N N 111 
CYS   HXT  H N N 112 
EDO   C1   C N N 113 
EDO   O1   O N N 114 
EDO   C2   C N N 115 
EDO   O2   O N N 116 
EDO   H11  H N N 117 
EDO   H12  H N N 118 
EDO   HO1  H N N 119 
EDO   H21  H N N 120 
EDO   H22  H N N 121 
EDO   HO2  H N N 122 
EPE   N1   N N N 123 
EPE   C2   C N N 124 
EPE   C3   C N N 125 
EPE   N4   N N N 126 
EPE   C5   C N N 127 
EPE   C6   C N N 128 
EPE   C7   C N N 129 
EPE   C8   C N N 130 
EPE   O8   O N N 131 
EPE   C9   C N N 132 
EPE   C10  C N N 133 
EPE   S    S N N 134 
EPE   O1S  O N N 135 
EPE   O2S  O N N 136 
EPE   O3S  O N N 137 
EPE   H21  H N N 138 
EPE   H22  H N N 139 
EPE   H31  H N N 140 
EPE   H32  H N N 141 
EPE   H51  H N N 142 
EPE   H52  H N N 143 
EPE   H61  H N N 144 
EPE   H62  H N N 145 
EPE   H71  H N N 146 
EPE   H72  H N N 147 
EPE   H81  H N N 148 
EPE   H82  H N N 149 
EPE   HO8  H N N 150 
EPE   H91  H N N 151 
EPE   H92  H N N 152 
EPE   H101 H N N 153 
EPE   H102 H N N 154 
EPE   HOS3 H N N 155 
GLN   N    N N N 156 
GLN   CA   C N S 157 
GLN   C    C N N 158 
GLN   O    O N N 159 
GLN   CB   C N N 160 
GLN   CG   C N N 161 
GLN   CD   C N N 162 
GLN   OE1  O N N 163 
GLN   NE2  N N N 164 
GLN   OXT  O N N 165 
GLN   H    H N N 166 
GLN   H2   H N N 167 
GLN   HA   H N N 168 
GLN   HB2  H N N 169 
GLN   HB3  H N N 170 
GLN   HG2  H N N 171 
GLN   HG3  H N N 172 
GLN   HE21 H N N 173 
GLN   HE22 H N N 174 
GLN   HXT  H N N 175 
GLU   N    N N N 176 
GLU   CA   C N S 177 
GLU   C    C N N 178 
GLU   O    O N N 179 
GLU   CB   C N N 180 
GLU   CG   C N N 181 
GLU   CD   C N N 182 
GLU   OE1  O N N 183 
GLU   OE2  O N N 184 
GLU   OXT  O N N 185 
GLU   H    H N N 186 
GLU   H2   H N N 187 
GLU   HA   H N N 188 
GLU   HB2  H N N 189 
GLU   HB3  H N N 190 
GLU   HG2  H N N 191 
GLU   HG3  H N N 192 
GLU   HE2  H N N 193 
GLU   HXT  H N N 194 
GLY   N    N N N 195 
GLY   CA   C N N 196 
GLY   C    C N N 197 
GLY   O    O N N 198 
GLY   OXT  O N N 199 
GLY   H    H N N 200 
GLY   H2   H N N 201 
GLY   HA2  H N N 202 
GLY   HA3  H N N 203 
GLY   HXT  H N N 204 
HIS   N    N N N 205 
HIS   CA   C N S 206 
HIS   C    C N N 207 
HIS   O    O N N 208 
HIS   CB   C N N 209 
HIS   CG   C Y N 210 
HIS   ND1  N Y N 211 
HIS   CD2  C Y N 212 
HIS   CE1  C Y N 213 
HIS   NE2  N Y N 214 
HIS   OXT  O N N 215 
HIS   H    H N N 216 
HIS   H2   H N N 217 
HIS   HA   H N N 218 
HIS   HB2  H N N 219 
HIS   HB3  H N N 220 
HIS   HD1  H N N 221 
HIS   HD2  H N N 222 
HIS   HE1  H N N 223 
HIS   HE2  H N N 224 
HIS   HXT  H N N 225 
HOH   O    O N N 226 
HOH   H1   H N N 227 
HOH   H2   H N N 228 
ILE   N    N N N 229 
ILE   CA   C N S 230 
ILE   C    C N N 231 
ILE   O    O N N 232 
ILE   CB   C N S 233 
ILE   CG1  C N N 234 
ILE   CG2  C N N 235 
ILE   CD1  C N N 236 
ILE   OXT  O N N 237 
ILE   H    H N N 238 
ILE   H2   H N N 239 
ILE   HA   H N N 240 
ILE   HB   H N N 241 
ILE   HG12 H N N 242 
ILE   HG13 H N N 243 
ILE   HG21 H N N 244 
ILE   HG22 H N N 245 
ILE   HG23 H N N 246 
ILE   HD11 H N N 247 
ILE   HD12 H N N 248 
ILE   HD13 H N N 249 
ILE   HXT  H N N 250 
LEU   N    N N N 251 
LEU   CA   C N S 252 
LEU   C    C N N 253 
LEU   O    O N N 254 
LEU   CB   C N N 255 
LEU   CG   C N N 256 
LEU   CD1  C N N 257 
LEU   CD2  C N N 258 
LEU   OXT  O N N 259 
LEU   H    H N N 260 
LEU   H2   H N N 261 
LEU   HA   H N N 262 
LEU   HB2  H N N 263 
LEU   HB3  H N N 264 
LEU   HG   H N N 265 
LEU   HD11 H N N 266 
LEU   HD12 H N N 267 
LEU   HD13 H N N 268 
LEU   HD21 H N N 269 
LEU   HD22 H N N 270 
LEU   HD23 H N N 271 
LEU   HXT  H N N 272 
LYS   N    N N N 273 
LYS   CA   C N S 274 
LYS   C    C N N 275 
LYS   O    O N N 276 
LYS   CB   C N N 277 
LYS   CG   C N N 278 
LYS   CD   C N N 279 
LYS   CE   C N N 280 
LYS   NZ   N N N 281 
LYS   OXT  O N N 282 
LYS   H    H N N 283 
LYS   H2   H N N 284 
LYS   HA   H N N 285 
LYS   HB2  H N N 286 
LYS   HB3  H N N 287 
LYS   HG2  H N N 288 
LYS   HG3  H N N 289 
LYS   HD2  H N N 290 
LYS   HD3  H N N 291 
LYS   HE2  H N N 292 
LYS   HE3  H N N 293 
LYS   HZ1  H N N 294 
LYS   HZ2  H N N 295 
LYS   HZ3  H N N 296 
LYS   HXT  H N N 297 
MET   N    N N N 298 
MET   CA   C N S 299 
MET   C    C N N 300 
MET   O    O N N 301 
MET   CB   C N N 302 
MET   CG   C N N 303 
MET   SD   S N N 304 
MET   CE   C N N 305 
MET   OXT  O N N 306 
MET   H    H N N 307 
MET   H2   H N N 308 
MET   HA   H N N 309 
MET   HB2  H N N 310 
MET   HB3  H N N 311 
MET   HG2  H N N 312 
MET   HG3  H N N 313 
MET   HE1  H N N 314 
MET   HE2  H N N 315 
MET   HE3  H N N 316 
MET   HXT  H N N 317 
PHE   N    N N N 318 
PHE   CA   C N S 319 
PHE   C    C N N 320 
PHE   O    O N N 321 
PHE   CB   C N N 322 
PHE   CG   C Y N 323 
PHE   CD1  C Y N 324 
PHE   CD2  C Y N 325 
PHE   CE1  C Y N 326 
PHE   CE2  C Y N 327 
PHE   CZ   C Y N 328 
PHE   OXT  O N N 329 
PHE   H    H N N 330 
PHE   H2   H N N 331 
PHE   HA   H N N 332 
PHE   HB2  H N N 333 
PHE   HB3  H N N 334 
PHE   HD1  H N N 335 
PHE   HD2  H N N 336 
PHE   HE1  H N N 337 
PHE   HE2  H N N 338 
PHE   HZ   H N N 339 
PHE   HXT  H N N 340 
PRO   N    N N N 341 
PRO   CA   C N S 342 
PRO   C    C N N 343 
PRO   O    O N N 344 
PRO   CB   C N N 345 
PRO   CG   C N N 346 
PRO   CD   C N N 347 
PRO   OXT  O N N 348 
PRO   H    H N N 349 
PRO   HA   H N N 350 
PRO   HB2  H N N 351 
PRO   HB3  H N N 352 
PRO   HG2  H N N 353 
PRO   HG3  H N N 354 
PRO   HD2  H N N 355 
PRO   HD3  H N N 356 
PRO   HXT  H N N 357 
SER   N    N N N 358 
SER   CA   C N S 359 
SER   C    C N N 360 
SER   O    O N N 361 
SER   CB   C N N 362 
SER   OG   O N N 363 
SER   OXT  O N N 364 
SER   H    H N N 365 
SER   H2   H N N 366 
SER   HA   H N N 367 
SER   HB2  H N N 368 
SER   HB3  H N N 369 
SER   HG   H N N 370 
SER   HXT  H N N 371 
SO4   S    S N N 372 
SO4   O1   O N N 373 
SO4   O2   O N N 374 
SO4   O3   O N N 375 
SO4   O4   O N N 376 
THR   N    N N N 377 
THR   CA   C N S 378 
THR   C    C N N 379 
THR   O    O N N 380 
THR   CB   C N R 381 
THR   OG1  O N N 382 
THR   CG2  C N N 383 
THR   OXT  O N N 384 
THR   H    H N N 385 
THR   H2   H N N 386 
THR   HA   H N N 387 
THR   HB   H N N 388 
THR   HG1  H N N 389 
THR   HG21 H N N 390 
THR   HG22 H N N 391 
THR   HG23 H N N 392 
THR   HXT  H N N 393 
TRP   N    N N N 394 
TRP   CA   C N S 395 
TRP   C    C N N 396 
TRP   O    O N N 397 
TRP   CB   C N N 398 
TRP   CG   C Y N 399 
TRP   CD1  C Y N 400 
TRP   CD2  C Y N 401 
TRP   NE1  N Y N 402 
TRP   CE2  C Y N 403 
TRP   CE3  C Y N 404 
TRP   CZ2  C Y N 405 
TRP   CZ3  C Y N 406 
TRP   CH2  C Y N 407 
TRP   OXT  O N N 408 
TRP   H    H N N 409 
TRP   H2   H N N 410 
TRP   HA   H N N 411 
TRP   HB2  H N N 412 
TRP   HB3  H N N 413 
TRP   HD1  H N N 414 
TRP   HE1  H N N 415 
TRP   HE3  H N N 416 
TRP   HZ2  H N N 417 
TRP   HZ3  H N N 418 
TRP   HH2  H N N 419 
TRP   HXT  H N N 420 
TYR   N    N N N 421 
TYR   CA   C N S 422 
TYR   C    C N N 423 
TYR   O    O N N 424 
TYR   CB   C N N 425 
TYR   CG   C Y N 426 
TYR   CD1  C Y N 427 
TYR   CD2  C Y N 428 
TYR   CE1  C Y N 429 
TYR   CE2  C Y N 430 
TYR   CZ   C Y N 431 
TYR   OH   O N N 432 
TYR   OXT  O N N 433 
TYR   H    H N N 434 
TYR   H2   H N N 435 
TYR   HA   H N N 436 
TYR   HB2  H N N 437 
TYR   HB3  H N N 438 
TYR   HD1  H N N 439 
TYR   HD2  H N N 440 
TYR   HE1  H N N 441 
TYR   HE2  H N N 442 
TYR   HH   H N N 443 
TYR   HXT  H N N 444 
VAL   N    N N N 445 
VAL   CA   C N S 446 
VAL   C    C N N 447 
VAL   O    O N N 448 
VAL   CB   C N N 449 
VAL   CG1  C N N 450 
VAL   CG2  C N N 451 
VAL   OXT  O N N 452 
VAL   H    H N N 453 
VAL   H2   H N N 454 
VAL   HA   H N N 455 
VAL   HB   H N N 456 
VAL   HG11 H N N 457 
VAL   HG12 H N N 458 
VAL   HG13 H N N 459 
VAL   HG21 H N N 460 
VAL   HG22 H N N 461 
VAL   HG23 H N N 462 
VAL   HXT  H N N 463 
# 
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 
A1BFH C1  C2   sing N N 1   
A1BFH C2  O1   doub N N 2   
A1BFH C2  N1   sing N N 3   
A1BFH N1  C3   sing N N 4   
A1BFH C3  C4   doub Y N 5   
A1BFH C4  C5   sing Y N 6   
A1BFH C5  O2   sing N N 7   
A1BFH O2  C6   sing N N 8   
A1BFH C6  O3   sing N N 9   
A1BFH O3  C7   sing N N 10  
A1BFH C7  C8   sing Y N 11  
A1BFH C8  C9   doub Y N 12  
A1BFH C9  C10  sing N N 13  
A1BFH C3  C9   sing Y N 14  
A1BFH C5  C7   doub Y N 15  
A1BFH N1  H4   sing N N 16  
A1BFH C4  H5   sing N N 17  
A1BFH C6  H6   sing N N 18  
A1BFH C6  H7   sing N N 19  
A1BFH C8  H8   sing N N 20  
A1BFH C10 H9   sing N N 21  
A1BFH C10 H11  sing N N 22  
A1BFH C10 H10  sing N N 23  
A1BFH C1  H2   sing N N 24  
A1BFH C1  H1   sing N N 25  
A1BFH C1  H3   sing N N 26  
ALA   N   CA   sing N N 27  
ALA   N   H    sing N N 28  
ALA   N   H2   sing N N 29  
ALA   CA  C    sing N N 30  
ALA   CA  CB   sing N N 31  
ALA   CA  HA   sing N N 32  
ALA   C   O    doub N N 33  
ALA   C   OXT  sing N N 34  
ALA   CB  HB1  sing N N 35  
ALA   CB  HB2  sing N N 36  
ALA   CB  HB3  sing N N 37  
ALA   OXT HXT  sing N N 38  
ARG   N   CA   sing N N 39  
ARG   N   H    sing N N 40  
ARG   N   H2   sing N N 41  
ARG   CA  C    sing N N 42  
ARG   CA  CB   sing N N 43  
ARG   CA  HA   sing N N 44  
ARG   C   O    doub N N 45  
ARG   C   OXT  sing N N 46  
ARG   CB  CG   sing N N 47  
ARG   CB  HB2  sing N N 48  
ARG   CB  HB3  sing N N 49  
ARG   CG  CD   sing N N 50  
ARG   CG  HG2  sing N N 51  
ARG   CG  HG3  sing N N 52  
ARG   CD  NE   sing N N 53  
ARG   CD  HD2  sing N N 54  
ARG   CD  HD3  sing N N 55  
ARG   NE  CZ   sing N N 56  
ARG   NE  HE   sing N N 57  
ARG   CZ  NH1  sing N N 58  
ARG   CZ  NH2  doub N N 59  
ARG   NH1 HH11 sing N N 60  
ARG   NH1 HH12 sing N N 61  
ARG   NH2 HH21 sing N N 62  
ARG   NH2 HH22 sing N N 63  
ARG   OXT HXT  sing N N 64  
ASN   N   CA   sing N N 65  
ASN   N   H    sing N N 66  
ASN   N   H2   sing N N 67  
ASN   CA  C    sing N N 68  
ASN   CA  CB   sing N N 69  
ASN   CA  HA   sing N N 70  
ASN   C   O    doub N N 71  
ASN   C   OXT  sing N N 72  
ASN   CB  CG   sing N N 73  
ASN   CB  HB2  sing N N 74  
ASN   CB  HB3  sing N N 75  
ASN   CG  OD1  doub N N 76  
ASN   CG  ND2  sing N N 77  
ASN   ND2 HD21 sing N N 78  
ASN   ND2 HD22 sing N N 79  
ASN   OXT HXT  sing N N 80  
ASP   N   CA   sing N N 81  
ASP   N   H    sing N N 82  
ASP   N   H2   sing N N 83  
ASP   CA  C    sing N N 84  
ASP   CA  CB   sing N N 85  
ASP   CA  HA   sing N N 86  
ASP   C   O    doub N N 87  
ASP   C   OXT  sing N N 88  
ASP   CB  CG   sing N N 89  
ASP   CB  HB2  sing N N 90  
ASP   CB  HB3  sing N N 91  
ASP   CG  OD1  doub N N 92  
ASP   CG  OD2  sing N N 93  
ASP   OD2 HD2  sing N N 94  
ASP   OXT HXT  sing N N 95  
CYS   N   CA   sing N N 96  
CYS   N   H    sing N N 97  
CYS   N   H2   sing N N 98  
CYS   CA  C    sing N N 99  
CYS   CA  CB   sing N N 100 
CYS   CA  HA   sing N N 101 
CYS   C   O    doub N N 102 
CYS   C   OXT  sing N N 103 
CYS   CB  SG   sing N N 104 
CYS   CB  HB2  sing N N 105 
CYS   CB  HB3  sing N N 106 
CYS   SG  HG   sing N N 107 
CYS   OXT HXT  sing N N 108 
EDO   C1  O1   sing N N 109 
EDO   C1  C2   sing N N 110 
EDO   C1  H11  sing N N 111 
EDO   C1  H12  sing N N 112 
EDO   O1  HO1  sing N N 113 
EDO   C2  O2   sing N N 114 
EDO   C2  H21  sing N N 115 
EDO   C2  H22  sing N N 116 
EDO   O2  HO2  sing N N 117 
EPE   N1  C2   sing N N 118 
EPE   N1  C6   sing N N 119 
EPE   N1  C9   sing N N 120 
EPE   C2  C3   sing N N 121 
EPE   C2  H21  sing N N 122 
EPE   C2  H22  sing N N 123 
EPE   C3  N4   sing N N 124 
EPE   C3  H31  sing N N 125 
EPE   C3  H32  sing N N 126 
EPE   N4  C5   sing N N 127 
EPE   N4  C7   sing N N 128 
EPE   C5  C6   sing N N 129 
EPE   C5  H51  sing N N 130 
EPE   C5  H52  sing N N 131 
EPE   C6  H61  sing N N 132 
EPE   C6  H62  sing N N 133 
EPE   C7  C8   sing N N 134 
EPE   C7  H71  sing N N 135 
EPE   C7  H72  sing N N 136 
EPE   C8  O8   sing N N 137 
EPE   C8  H81  sing N N 138 
EPE   C8  H82  sing N N 139 
EPE   O8  HO8  sing N N 140 
EPE   C9  C10  sing N N 141 
EPE   C9  H91  sing N N 142 
EPE   C9  H92  sing N N 143 
EPE   C10 S    sing N N 144 
EPE   C10 H101 sing N N 145 
EPE   C10 H102 sing N N 146 
EPE   S   O1S  doub N N 147 
EPE   S   O2S  doub N N 148 
EPE   S   O3S  sing N N 149 
EPE   O3S HOS3 sing N N 150 
GLN   N   CA   sing N N 151 
GLN   N   H    sing N N 152 
GLN   N   H2   sing N N 153 
GLN   CA  C    sing N N 154 
GLN   CA  CB   sing N N 155 
GLN   CA  HA   sing N N 156 
GLN   C   O    doub N N 157 
GLN   C   OXT  sing N N 158 
GLN   CB  CG   sing N N 159 
GLN   CB  HB2  sing N N 160 
GLN   CB  HB3  sing N N 161 
GLN   CG  CD   sing N N 162 
GLN   CG  HG2  sing N N 163 
GLN   CG  HG3  sing N N 164 
GLN   CD  OE1  doub N N 165 
GLN   CD  NE2  sing N N 166 
GLN   NE2 HE21 sing N N 167 
GLN   NE2 HE22 sing N N 168 
GLN   OXT HXT  sing N N 169 
GLU   N   CA   sing N N 170 
GLU   N   H    sing N N 171 
GLU   N   H2   sing N N 172 
GLU   CA  C    sing N N 173 
GLU   CA  CB   sing N N 174 
GLU   CA  HA   sing N N 175 
GLU   C   O    doub N N 176 
GLU   C   OXT  sing N N 177 
GLU   CB  CG   sing N N 178 
GLU   CB  HB2  sing N N 179 
GLU   CB  HB3  sing N N 180 
GLU   CG  CD   sing N N 181 
GLU   CG  HG2  sing N N 182 
GLU   CG  HG3  sing N N 183 
GLU   CD  OE1  doub N N 184 
GLU   CD  OE2  sing N N 185 
GLU   OE2 HE2  sing N N 186 
GLU   OXT HXT  sing N N 187 
GLY   N   CA   sing N N 188 
GLY   N   H    sing N N 189 
GLY   N   H2   sing N N 190 
GLY   CA  C    sing N N 191 
GLY   CA  HA2  sing N N 192 
GLY   CA  HA3  sing N N 193 
GLY   C   O    doub N N 194 
GLY   C   OXT  sing N N 195 
GLY   OXT HXT  sing N N 196 
HIS   N   CA   sing N N 197 
HIS   N   H    sing N N 198 
HIS   N   H2   sing N N 199 
HIS   CA  C    sing N N 200 
HIS   CA  CB   sing N N 201 
HIS   CA  HA   sing N N 202 
HIS   C   O    doub N N 203 
HIS   C   OXT  sing N N 204 
HIS   CB  CG   sing N N 205 
HIS   CB  HB2  sing N N 206 
HIS   CB  HB3  sing N N 207 
HIS   CG  ND1  sing Y N 208 
HIS   CG  CD2  doub Y N 209 
HIS   ND1 CE1  doub Y N 210 
HIS   ND1 HD1  sing N N 211 
HIS   CD2 NE2  sing Y N 212 
HIS   CD2 HD2  sing N N 213 
HIS   CE1 NE2  sing Y N 214 
HIS   CE1 HE1  sing N N 215 
HIS   NE2 HE2  sing N N 216 
HIS   OXT HXT  sing N N 217 
HOH   O   H1   sing N N 218 
HOH   O   H2   sing N N 219 
ILE   N   CA   sing N N 220 
ILE   N   H    sing N N 221 
ILE   N   H2   sing N N 222 
ILE   CA  C    sing N N 223 
ILE   CA  CB   sing N N 224 
ILE   CA  HA   sing N N 225 
ILE   C   O    doub N N 226 
ILE   C   OXT  sing N N 227 
ILE   CB  CG1  sing N N 228 
ILE   CB  CG2  sing N N 229 
ILE   CB  HB   sing N N 230 
ILE   CG1 CD1  sing N N 231 
ILE   CG1 HG12 sing N N 232 
ILE   CG1 HG13 sing N N 233 
ILE   CG2 HG21 sing N N 234 
ILE   CG2 HG22 sing N N 235 
ILE   CG2 HG23 sing N N 236 
ILE   CD1 HD11 sing N N 237 
ILE   CD1 HD12 sing N N 238 
ILE   CD1 HD13 sing N N 239 
ILE   OXT HXT  sing N N 240 
LEU   N   CA   sing N N 241 
LEU   N   H    sing N N 242 
LEU   N   H2   sing N N 243 
LEU   CA  C    sing N N 244 
LEU   CA  CB   sing N N 245 
LEU   CA  HA   sing N N 246 
LEU   C   O    doub N N 247 
LEU   C   OXT  sing N N 248 
LEU   CB  CG   sing N N 249 
LEU   CB  HB2  sing N N 250 
LEU   CB  HB3  sing N N 251 
LEU   CG  CD1  sing N N 252 
LEU   CG  CD2  sing N N 253 
LEU   CG  HG   sing N N 254 
LEU   CD1 HD11 sing N N 255 
LEU   CD1 HD12 sing N N 256 
LEU   CD1 HD13 sing N N 257 
LEU   CD2 HD21 sing N N 258 
LEU   CD2 HD22 sing N N 259 
LEU   CD2 HD23 sing N N 260 
LEU   OXT HXT  sing N N 261 
LYS   N   CA   sing N N 262 
LYS   N   H    sing N N 263 
LYS   N   H2   sing N N 264 
LYS   CA  C    sing N N 265 
LYS   CA  CB   sing N N 266 
LYS   CA  HA   sing N N 267 
LYS   C   O    doub N N 268 
LYS   C   OXT  sing N N 269 
LYS   CB  CG   sing N N 270 
LYS   CB  HB2  sing N N 271 
LYS   CB  HB3  sing N N 272 
LYS   CG  CD   sing N N 273 
LYS   CG  HG2  sing N N 274 
LYS   CG  HG3  sing N N 275 
LYS   CD  CE   sing N N 276 
LYS   CD  HD2  sing N N 277 
LYS   CD  HD3  sing N N 278 
LYS   CE  NZ   sing N N 279 
LYS   CE  HE2  sing N N 280 
LYS   CE  HE3  sing N N 281 
LYS   NZ  HZ1  sing N N 282 
LYS   NZ  HZ2  sing N N 283 
LYS   NZ  HZ3  sing N N 284 
LYS   OXT HXT  sing N N 285 
MET   N   CA   sing N N 286 
MET   N   H    sing N N 287 
MET   N   H2   sing N N 288 
MET   CA  C    sing N N 289 
MET   CA  CB   sing N N 290 
MET   CA  HA   sing N N 291 
MET   C   O    doub N N 292 
MET   C   OXT  sing N N 293 
MET   CB  CG   sing N N 294 
MET   CB  HB2  sing N N 295 
MET   CB  HB3  sing N N 296 
MET   CG  SD   sing N N 297 
MET   CG  HG2  sing N N 298 
MET   CG  HG3  sing N N 299 
MET   SD  CE   sing N N 300 
MET   CE  HE1  sing N N 301 
MET   CE  HE2  sing N N 302 
MET   CE  HE3  sing N N 303 
MET   OXT HXT  sing N N 304 
PHE   N   CA   sing N N 305 
PHE   N   H    sing N N 306 
PHE   N   H2   sing N N 307 
PHE   CA  C    sing N N 308 
PHE   CA  CB   sing N N 309 
PHE   CA  HA   sing N N 310 
PHE   C   O    doub N N 311 
PHE   C   OXT  sing N N 312 
PHE   CB  CG   sing N N 313 
PHE   CB  HB2  sing N N 314 
PHE   CB  HB3  sing N N 315 
PHE   CG  CD1  doub Y N 316 
PHE   CG  CD2  sing Y N 317 
PHE   CD1 CE1  sing Y N 318 
PHE   CD1 HD1  sing N N 319 
PHE   CD2 CE2  doub Y N 320 
PHE   CD2 HD2  sing N N 321 
PHE   CE1 CZ   doub Y N 322 
PHE   CE1 HE1  sing N N 323 
PHE   CE2 CZ   sing Y N 324 
PHE   CE2 HE2  sing N N 325 
PHE   CZ  HZ   sing N N 326 
PHE   OXT HXT  sing N N 327 
PRO   N   CA   sing N N 328 
PRO   N   CD   sing N N 329 
PRO   N   H    sing N N 330 
PRO   CA  C    sing N N 331 
PRO   CA  CB   sing N N 332 
PRO   CA  HA   sing N N 333 
PRO   C   O    doub N N 334 
PRO   C   OXT  sing N N 335 
PRO   CB  CG   sing N N 336 
PRO   CB  HB2  sing N N 337 
PRO   CB  HB3  sing N N 338 
PRO   CG  CD   sing N N 339 
PRO   CG  HG2  sing N N 340 
PRO   CG  HG3  sing N N 341 
PRO   CD  HD2  sing N N 342 
PRO   CD  HD3  sing N N 343 
PRO   OXT HXT  sing N N 344 
SER   N   CA   sing N N 345 
SER   N   H    sing N N 346 
SER   N   H2   sing N N 347 
SER   CA  C    sing N N 348 
SER   CA  CB   sing N N 349 
SER   CA  HA   sing N N 350 
SER   C   O    doub N N 351 
SER   C   OXT  sing N N 352 
SER   CB  OG   sing N N 353 
SER   CB  HB2  sing N N 354 
SER   CB  HB3  sing N N 355 
SER   OG  HG   sing N N 356 
SER   OXT HXT  sing N N 357 
SO4   S   O1   doub N N 358 
SO4   S   O2   doub N N 359 
SO4   S   O3   sing N N 360 
SO4   S   O4   sing N N 361 
THR   N   CA   sing N N 362 
THR   N   H    sing N N 363 
THR   N   H2   sing N N 364 
THR   CA  C    sing N N 365 
THR   CA  CB   sing N N 366 
THR   CA  HA   sing N N 367 
THR   C   O    doub N N 368 
THR   C   OXT  sing N N 369 
THR   CB  OG1  sing N N 370 
THR   CB  CG2  sing N N 371 
THR   CB  HB   sing N N 372 
THR   OG1 HG1  sing N N 373 
THR   CG2 HG21 sing N N 374 
THR   CG2 HG22 sing N N 375 
THR   CG2 HG23 sing N N 376 
THR   OXT HXT  sing N N 377 
TRP   N   CA   sing N N 378 
TRP   N   H    sing N N 379 
TRP   N   H2   sing N N 380 
TRP   CA  C    sing N N 381 
TRP   CA  CB   sing N N 382 
TRP   CA  HA   sing N N 383 
TRP   C   O    doub N N 384 
TRP   C   OXT  sing N N 385 
TRP   CB  CG   sing N N 386 
TRP   CB  HB2  sing N N 387 
TRP   CB  HB3  sing N N 388 
TRP   CG  CD1  doub Y N 389 
TRP   CG  CD2  sing Y N 390 
TRP   CD1 NE1  sing Y N 391 
TRP   CD1 HD1  sing N N 392 
TRP   CD2 CE2  doub Y N 393 
TRP   CD2 CE3  sing Y N 394 
TRP   NE1 CE2  sing Y N 395 
TRP   NE1 HE1  sing N N 396 
TRP   CE2 CZ2  sing Y N 397 
TRP   CE3 CZ3  doub Y N 398 
TRP   CE3 HE3  sing N N 399 
TRP   CZ2 CH2  doub Y N 400 
TRP   CZ2 HZ2  sing N N 401 
TRP   CZ3 CH2  sing Y N 402 
TRP   CZ3 HZ3  sing N N 403 
TRP   CH2 HH2  sing N N 404 
TRP   OXT HXT  sing N N 405 
TYR   N   CA   sing N N 406 
TYR   N   H    sing N N 407 
TYR   N   H2   sing N N 408 
TYR   CA  C    sing N N 409 
TYR   CA  CB   sing N N 410 
TYR   CA  HA   sing N N 411 
TYR   C   O    doub N N 412 
TYR   C   OXT  sing N N 413 
TYR   CB  CG   sing N N 414 
TYR   CB  HB2  sing N N 415 
TYR   CB  HB3  sing N N 416 
TYR   CG  CD1  doub Y N 417 
TYR   CG  CD2  sing Y N 418 
TYR   CD1 CE1  sing Y N 419 
TYR   CD1 HD1  sing N N 420 
TYR   CD2 CE2  doub Y N 421 
TYR   CD2 HD2  sing N N 422 
TYR   CE1 CZ   doub Y N 423 
TYR   CE1 HE1  sing N N 424 
TYR   CE2 CZ   sing Y N 425 
TYR   CE2 HE2  sing N N 426 
TYR   CZ  OH   sing N N 427 
TYR   OH  HH   sing N N 428 
TYR   OXT HXT  sing N N 429 
VAL   N   CA   sing N N 430 
VAL   N   H    sing N N 431 
VAL   N   H2   sing N N 432 
VAL   CA  C    sing N N 433 
VAL   CA  CB   sing N N 434 
VAL   CA  HA   sing N N 435 
VAL   C   O    doub N N 436 
VAL   C   OXT  sing N N 437 
VAL   CB  CG1  sing N N 438 
VAL   CB  CG2  sing N N 439 
VAL   CB  HB   sing N N 440 
VAL   CG1 HG11 sing N N 441 
VAL   CG1 HG12 sing N N 442 
VAL   CG1 HG13 sing N N 443 
VAL   CG2 HG21 sing N N 444 
VAL   CG2 HG22 sing N N 445 
VAL   CG2 HG23 sing N N 446 
VAL   OXT HXT  sing N N 447 
# 
_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                    7HM7 
_atom_sites.fract_transf_matrix[1][1]   0.010476 
_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]   0.010476 
_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]   0.021853 
_atom_sites.fract_transf_vector[1]      0.000000 
_atom_sites.fract_transf_vector[2]      0.000000 
_atom_sites.fract_transf_vector[3]      0.000000 
# 
loop_
_atom_type.symbol 
C 
N 
O 
S 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N   . HIS   A 1 2   ? -12.964 -13.178 -9.933  1.00 81.62 ? 8   HIS   B N   1 
ATOM   2    C CA  . HIS   A 1 2   ? -12.587 -13.698 -11.288 1.00 74.88 ? 8   HIS   B CA  1 
ATOM   3    C C   . HIS   A 1 2   ? -11.517 -12.791 -11.912 1.00 73.49 ? 8   HIS   B C   1 
ATOM   4    O O   . HIS   A 1 2   ? -11.433 -11.608 -11.514 1.00 80.27 ? 8   HIS   B O   1 
ATOM   5    C CB  . HIS   A 1 2   ? -13.832 -13.845 -12.183 1.00 67.57 ? 8   HIS   B CB  1 
ATOM   6    C CG  . HIS   A 1 2   ? -14.470 -12.559 -12.603 1.00 62.97 ? 8   HIS   B CG  1 
ATOM   7    N ND1 . HIS   A 1 2   ? -14.049 -11.854 -13.715 1.00 63.25 ? 8   HIS   B ND1 1 
ATOM   8    C CD2 . HIS   A 1 2   ? -15.512 -11.862 -12.094 1.00 60.53 ? 8   HIS   B CD2 1 
ATOM   9    C CE1 . HIS   A 1 2   ? -14.785 -10.768 -13.855 1.00 60.96 ? 8   HIS   B CE1 1 
ATOM   10   N NE2 . HIS   A 1 2   ? -15.696 -10.752 -12.884 1.00 59.79 ? 8   HIS   B NE2 1 
ATOM   11   N N   . HIS   A 1 3   ? -10.744 -13.331 -12.860 1.00 70.36 ? 9   HIS   B N   1 
ATOM   12   C CA  . HIS   A 1 3   ? -9.690  -12.617 -13.633 1.00 70.22 ? 9   HIS   B CA  1 
ATOM   13   C C   . HIS   A 1 3   ? -9.971  -12.763 -15.138 1.00 62.68 ? 9   HIS   B C   1 
ATOM   14   O O   . HIS   A 1 3   ? -9.029  -13.109 -15.885 1.00 61.92 ? 9   HIS   B O   1 
ATOM   15   C CB  . HIS   A 1 3   ? -8.300  -13.115 -13.186 1.00 75.19 ? 9   HIS   B CB  1 
ATOM   16   C CG  . HIS   A 1 3   ? -8.048  -12.931 -11.721 1.00 84.88 ? 9   HIS   B CG  1 
ATOM   17   N ND1 . HIS   A 1 3   ? -8.376  -11.759 -11.050 1.00 84.22 ? 9   HIS   B ND1 1 
ATOM   18   C CD2 . HIS   A 1 3   ? -7.502  -13.751 -10.794 1.00 86.54 ? 9   HIS   B CD2 1 
ATOM   19   C CE1 . HIS   A 1 3   ? -8.048  -11.871 -9.778  1.00 85.24 ? 9   HIS   B CE1 1 
ATOM   20   N NE2 . HIS   A 1 3   ? -7.508  -13.084 -9.595  1.00 85.26 ? 9   HIS   B NE2 1 
ATOM   21   N N   . HIS   A 1 4   ? -11.223 -12.492 -15.555 1.00 51.62 ? 10  HIS   B N   1 
ATOM   22   C CA  . HIS   A 1 4   ? -11.765 -12.657 -16.938 1.00 40.79 ? 10  HIS   B CA  1 
ATOM   23   C C   . HIS   A 1 4   ? -11.763 -11.318 -17.688 1.00 38.90 ? 10  HIS   B C   1 
ATOM   24   O O   . HIS   A 1 4   ? -11.820 -11.336 -18.950 1.00 34.37 ? 10  HIS   B O   1 
ATOM   25   C CB  . HIS   A 1 4   ? -13.189 -13.238 -16.883 1.00 36.82 ? 10  HIS   B CB  1 
ATOM   26   C CG  . HIS   A 1 4   ? -13.264 -14.626 -16.340 1.00 36.11 ? 10  HIS   B CG  1 
ATOM   27   N ND1 . HIS   A 1 4   ? -12.360 -15.628 -16.697 1.00 33.45 ? 10  HIS   B ND1 1 
ATOM   28   C CD2 . HIS   A 1 4   ? -14.148 -15.205 -15.503 1.00 33.93 ? 10  HIS   B CD2 1 
ATOM   29   C CE1 . HIS   A 1 4   ? -12.685 -16.751 -16.089 1.00 39.32 ? 10  HIS   B CE1 1 
ATOM   30   N NE2 . HIS   A 1 4   ? -13.784 -16.520 -15.359 1.00 39.00 ? 10  HIS   B NE2 1 
ATOM   31   N N   . HIS   A 1 5   ? -11.673 -10.200 -16.947 1.00 40.47 ? 11  HIS   B N   1 
ATOM   32   C CA  . HIS   A 1 5   ? -11.727 -8.803  -17.464 1.00 44.34 ? 11  HIS   B CA  1 
ATOM   33   C C   . HIS   A 1 5   ? -10.819 -8.613  -18.691 1.00 41.38 ? 11  HIS   B C   1 
ATOM   34   O O   . HIS   A 1 5   ? -11.265 -7.907  -19.630 1.00 40.65 ? 11  HIS   B O   1 
ATOM   35   C CB  . HIS   A 1 5   ? -11.374 -7.781  -16.365 1.00 53.94 ? 11  HIS   B CB  1 
ATOM   36   C CG  . HIS   A 1 5   ? -12.253 -7.846  -15.161 1.00 65.81 ? 11  HIS   B CG  1 
ATOM   37   N ND1 . HIS   A 1 5   ? -11.854 -8.472  -13.985 1.00 81.36 ? 11  HIS   B ND1 1 
ATOM   38   C CD2 . HIS   A 1 5   ? -13.499 -7.376  -14.933 1.00 71.61 ? 11  HIS   B CD2 1 
ATOM   39   C CE1 . HIS   A 1 5   ? -12.820 -8.383  -13.089 1.00 79.69 ? 11  HIS   B CE1 1 
ATOM   40   N NE2 . HIS   A 1 5   ? -13.841 -7.716  -13.646 1.00 76.67 ? 11  HIS   B NE2 1 
ATOM   41   N N   . HIS   A 1 6   ? -9.617  -9.223  -18.703 1.00 37.80 ? 12  HIS   B N   1 
ATOM   42   C CA  . HIS   A 1 6   ? -8.595  -9.119  -19.788 1.00 37.40 ? 12  HIS   B CA  1 
ATOM   43   C C   . HIS   A 1 6   ? -9.022  -9.789  -21.110 1.00 35.61 ? 12  HIS   B C   1 
ATOM   44   O O   . HIS   A 1 6   ? -8.324  -9.556  -22.122 1.00 37.59 ? 12  HIS   B O   1 
ATOM   45   C CB  . HIS   A 1 6   ? -7.239  -9.664  -19.315 1.00 42.78 ? 12  HIS   B CB  1 
ATOM   46   C CG  . HIS   A 1 6   ? -7.201  -11.128 -19.033 1.00 43.21 ? 12  HIS   B CG  1 
ATOM   47   N ND1 . HIS   A 1 6   ? -6.542  -12.025 -19.857 1.00 50.90 ? 12  HIS   B ND1 1 
ATOM   48   C CD2 . HIS   A 1 6   ? -7.696  -11.855 -18.007 1.00 46.68 ? 12  HIS   B CD2 1 
ATOM   49   C CE1 . HIS   A 1 6   ? -6.652  -13.244 -19.364 1.00 44.44 ? 12  HIS   B CE1 1 
ATOM   50   N NE2 . HIS   A 1 6   ? -7.354  -13.170 -18.229 1.00 51.66 ? 12  HIS   B NE2 1 
ATOM   51   N N   . HIS   A 1 7   ? -10.090 -10.604 -21.144 1.00 27.74 ? 13  HIS   B N   1 
ATOM   52   C CA  . HIS   A 1 7   ? -10.702 -11.125 -22.413 1.00 23.05 ? 13  HIS   B CA  1 
ATOM   53   C C   . HIS   A 1 7   ? -11.829 -10.219 -22.878 1.00 20.88 ? 13  HIS   B C   1 
ATOM   54   O O   . HIS   A 1 7   ? -12.684 -10.708 -23.643 1.00 17.91 ? 13  HIS   B O   1 
ATOM   55   C CB  . HIS   A 1 7   ? -11.249 -12.536 -22.224 1.00 22.71 ? 13  HIS   B CB  1 
ATOM   56   C CG  . HIS   A 1 7   ? -10.187 -13.486 -21.775 1.00 24.43 ? 13  HIS   B CG  1 
ATOM   57   N ND1 . HIS   A 1 7   ? -9.150  -13.838 -22.629 1.00 23.88 ? 13  HIS   B ND1 1 
ATOM   58   C CD2 . HIS   A 1 7   ? -10.000 -14.134 -20.604 1.00 25.09 ? 13  HIS   B CD2 1 
ATOM   59   C CE1 . HIS   A 1 7   ? -8.352  -14.674 -21.972 1.00 23.67 ? 13  HIS   B CE1 1 
ATOM   60   N NE2 . HIS   A 1 7   ? -8.830  -14.871 -20.735 1.00 27.78 ? 13  HIS   B NE2 1 
ATOM   61   N N   . MET   A 1 8   ? -11.867 -8.990  -22.384 1.00 21.55 ? 14  MET   B N   1 
ATOM   62   C CA  . MET   A 1 8   ? -12.922 -8.003  -22.712 1.00 23.54 ? 14  MET   B CA  1 
ATOM   63   C C   . MET   A 1 8   ? -13.027 -7.833  -24.231 1.00 23.04 ? 14  MET   B C   1 
ATOM   64   O O   . MET   A 1 8   ? -11.989 -7.740  -24.966 1.00 26.41 ? 14  MET   B O   1 
ATOM   65   C CB  . MET   A 1 8   ? -12.616 -6.662  -22.040 1.00 29.19 ? 14  MET   B CB  1 
ATOM   66   C CG  . MET   A 1 8   ? -13.640 -5.566  -22.302 1.00 36.96 ? 14  MET   B CG  1 
ATOM   67   S SD  . MET   A 1 8   ? -15.221 -5.773  -21.410 1.00 48.28 ? 14  MET   B SD  1 
ATOM   68   C CE  . MET   A 1 8   ? -14.763 -5.118  -19.810 1.00 37.00 ? 14  MET   B CE  1 
ATOM   69   N N   . VAL   A 1 9   ? -14.252 -7.813  -24.738 1.00 18.81 ? 15  VAL   B N   1 
ATOM   70   C CA  . VAL   A 1 9   ? -14.578 -7.606  -26.169 1.00 19.59 ? 15  VAL   B CA  1 
ATOM   71   C C   . VAL   A 1 9   ? -15.561 -6.418  -26.236 1.00 19.53 ? 15  VAL   B C   1 
ATOM   72   O O   . VAL   A 1 9   ? -16.410 -6.251  -25.304 1.00 20.06 ? 15  VAL   B O   1 
ATOM   73   C CB  . VAL   A 1 9   ? -15.120 -8.858  -26.882 1.00 20.85 ? 15  VAL   B CB  1 
ATOM   74   C CG1 . VAL   A 1 9   ? -14.032 -9.911  -27.001 1.00 23.97 ? 15  VAL   B CG1 1 
ATOM   75   C CG2 . VAL   A 1 9   ? -16.334 -9.464  -26.219 1.00 21.30 ? 15  VAL   B CG2 1 
ATOM   76   N N   . HIS   A 1 10  ? -15.482 -5.644  -27.315 1.00 20.03 ? 16  HIS   B N   1 
ATOM   77   C CA  . HIS   A 1 10  ? -16.361 -4.486  -27.562 1.00 19.54 ? 16  HIS   B CA  1 
ATOM   78   C C   . HIS   A 1 10  ? -17.595 -4.987  -28.313 1.00 19.80 ? 16  HIS   B C   1 
ATOM   79   O O   . HIS   A 1 10  ? -17.505 -5.368  -29.475 1.00 23.70 ? 16  HIS   B O   1 
ATOM   80   C CB  . HIS   A 1 10  ? -15.611 -3.405  -28.341 1.00 20.28 ? 16  HIS   B CB  1 
ATOM   81   C CG  . HIS   A 1 10  ? -16.374 -2.138  -28.538 1.00 25.86 ? 16  HIS   B CG  1 
ATOM   82   N ND1 . HIS   A 1 10  ? -16.487 -1.186  -27.548 1.00 30.19 ? 16  HIS   B ND1 1 
ATOM   83   C CD2 . HIS   A 1 10  ? -17.068 -1.675  -29.603 1.00 29.54 ? 16  HIS   B CD2 1 
ATOM   84   C CE1 . HIS   A 1 10  ? -17.212 -0.165  -27.994 1.00 26.98 ? 16  HIS   B CE1 1 
ATOM   85   N NE2 . HIS   A 1 10  ? -17.601 -0.452  -29.262 1.00 32.29 ? 16  HIS   B NE2 1 
ATOM   86   N N   . ILE   A 1 11  ? -18.705 -5.118  -27.597 1.00 15.29 ? 17  ILE   B N   1 
ATOM   87   C CA  . ILE   A 1 11  ? -19.947 -5.616  -28.214 1.00 15.74 ? 17  ILE   B CA  1 
ATOM   88   C C   . ILE   A 1 11  ? -20.776 -4.430  -28.739 1.00 15.70 ? 17  ILE   B C   1 
ATOM   89   O O   . ILE   A 1 11  ? -20.806 -3.397  -28.098 1.00 15.77 ? 17  ILE   B O   1 
ATOM   90   C CB  . ILE   A 1 11  ? -20.743 -6.433  -27.183 1.00 14.98 ? 17  ILE   B CB  1 
ATOM   91   C CG1 . ILE   A 1 11  ? -19.939 -7.641  -26.678 1.00 15.93 ? 17  ILE   B CG1 1 
ATOM   92   C CG2 . ILE   A 1 11  ? -22.083 -6.844  -27.773 1.00 14.41 ? 17  ILE   B CG2 1 
ATOM   93   C CD1 . ILE   A 1 11  ? -19.417 -8.589  -27.763 1.00 15.74 ? 17  ILE   B CD1 1 
ATOM   94   N N   . THR   A 1 12  ? -21.384 -4.622  -29.892 1.00 14.72 ? 18  THR   B N   1 
ATOM   95   C CA  . THR   A 1 12  ? -22.356 -3.642  -30.438 1.00 15.91 ? 18  THR   B CA  1 
ATOM   96   C C   . THR   A 1 12  ? -23.605 -4.392  -30.844 1.00 16.94 ? 18  THR   B C   1 
ATOM   97   O O   . THR   A 1 12  ? -23.565 -5.617  -31.096 1.00 17.32 ? 18  THR   B O   1 
ATOM   98   C CB  . THR   A 1 12  ? -21.778 -2.848  -31.610 1.00 18.05 ? 18  THR   B CB  1 
ATOM   99   O OG1 . THR   A 1 12  ? -21.453 -3.751  -32.647 1.00 19.13 ? 18  THR   B OG1 1 
ATOM   100  C CG2 . THR   A 1 12  ? -20.591 -1.974  -31.240 1.00 20.38 ? 18  THR   B CG2 1 
ATOM   101  N N   . LEU   A 1 13  ? -24.740 -3.690  -30.800 1.00 14.17 ? 19  LEU   B N   1 
ATOM   102  C CA  . LEU   A 1 13  ? -26.019 -4.343  -31.103 1.00 14.80 ? 19  LEU   B CA  1 
ATOM   103  C C   . LEU   A 1 13  ? -26.326 -4.324  -32.596 1.00 14.58 ? 19  LEU   B C   1 
ATOM   104  O O   . LEU   A 1 13  ? -26.012 -3.299  -33.264 1.00 15.82 ? 19  LEU   B O   1 
ATOM   105  C CB  . LEU   A 1 13  ? -27.098 -3.614  -30.329 1.00 14.62 ? 19  LEU   B CB  1 
ATOM   106  C CG  . LEU   A 1 13  ? -26.921 -3.666  -28.827 1.00 15.01 ? 19  LEU   B CG  1 
ATOM   107  C CD1 . LEU   A 1 13  ? -27.898 -2.752  -28.095 1.00 16.31 ? 19  LEU   B CD1 1 
ATOM   108  C CD2 . LEU   A 1 13  ? -27.013 -5.101  -28.309 1.00 16.90 ? 19  LEU   B CD2 1 
ATOM   109  N N   . ASP   A 1 14  ? -26.943 -5.350  -33.089 1.00 14.06 ? 20  ASP   B N   1 
ATOM   110  C CA  . ASP   A 1 14  ? -27.326 -5.530  -34.506 1.00 14.17 ? 20  ASP   B CA  1 
ATOM   111  C C   . ASP   A 1 14  ? -28.809 -5.128  -34.670 1.00 15.12 ? 20  ASP   B C   1 
ATOM   112  O O   . ASP   A 1 14  ? -29.681 -5.918  -34.383 1.00 14.02 ? 20  ASP   B O   1 
ATOM   113  C CB  . ASP   A 1 14  ? -27.018 -6.944  -35.014 1.00 14.66 ? 20  ASP   B CB  1 
ATOM   114  C CG  . ASP   A 1 14  ? -27.325 -7.222  -36.466 1.00 20.14 ? 20  ASP   B CG  1 
ATOM   115  O OD1 . ASP   A 1 14  ? -27.984 -6.351  -37.089 1.00 18.74 ? 20  ASP   B OD1 1 
ATOM   116  O OD2 . ASP   A 1 14  ? -26.999 -8.346  -36.956 1.00 20.19 ? 20  ASP   B OD2 1 
ATOM   117  N N   A ARG   A 1 15  ? -29.026 -3.899  -35.170 0.25 15.74 ? 21  ARG   B N   1 
ATOM   118  N N   B ARG   A 1 15  ? -29.052 -3.911  -35.170 0.25 16.25 ? 21  ARG   B N   1 
ATOM   119  C CA  A ARG   A 1 15  ? -30.352 -3.281  -35.469 0.25 16.91 ? 21  ARG   B CA  1 
ATOM   120  C CA  B ARG   A 1 15  ? -30.417 -3.341  -35.356 0.25 17.50 ? 21  ARG   B CA  1 
ATOM   121  C C   A ARG   A 1 15  ? -31.261 -4.240  -36.231 0.25 15.95 ? 21  ARG   B C   1 
ATOM   122  C C   B ARG   A 1 15  ? -31.284 -4.246  -36.236 0.25 16.40 ? 21  ARG   B C   1 
ATOM   123  O O   A ARG   A 1 15  ? -32.480 -4.237  -35.978 0.25 16.01 ? 21  ARG   B O   1 
ATOM   124  O O   B ARG   A 1 15  ? -32.512 -4.239  -36.046 0.25 16.22 ? 21  ARG   B O   1 
ATOM   125  C CB  A ARG   A 1 15  ? -30.179 -2.054  -36.377 0.25 17.76 ? 21  ARG   B CB  1 
ATOM   126  C CB  B ARG   A 1 15  ? -30.336 -1.955  -36.009 0.25 19.78 ? 21  ARG   B CB  1 
ATOM   127  C CG  A ARG   A 1 15  ? -29.239 -1.001  -35.819 0.25 19.96 ? 21  ARG   B CG  1 
ATOM   128  C CG  B ARG   A 1 15  ? -29.933 -0.841  -35.058 0.25 22.22 ? 21  ARG   B CG  1 
ATOM   129  C CD  A ARG   A 1 15  ? -29.300 0.314   -36.581 0.25 20.24 ? 21  ARG   B CD  1 
ATOM   130  C CD  B ARG   A 1 15  ? -28.490 -0.398  -35.235 0.25 26.18 ? 21  ARG   B CD  1 
ATOM   131  N NE  A ARG   A 1 15  ? -28.764 1.363   -35.735 0.25 20.56 ? 21  ARG   B NE  1 
ATOM   132  N NE  B ARG   A 1 15  ? -28.268 0.548   -36.333 0.25 28.44 ? 21  ARG   B NE  1 
ATOM   133  C CZ  A ARG   A 1 15  ? -29.462 1.940   -34.781 0.25 20.42 ? 21  ARG   B CZ  1 
ATOM   134  C CZ  B ARG   A 1 15  ? -27.799 0.234   -37.541 0.25 31.84 ? 21  ARG   B CZ  1 
ATOM   135  N NH1 A ARG   A 1 15  ? -30.717 1.585   -34.608 0.25 21.93 ? 21  ARG   B NH1 1 
ATOM   136  N NH1 B ARG   A 1 15  ? -27.496 -1.014  -37.848 0.25 35.25 ? 21  ARG   B NH1 1 
ATOM   137  N NH2 A ARG   A 1 15  ? -28.921 2.870   -34.022 0.25 21.27 ? 21  ARG   B NH2 1 
ATOM   138  N NH2 B ARG   A 1 15  ? -27.639 1.177   -38.450 0.25 33.68 ? 21  ARG   B NH2 1 
ATOM   139  N N   . ASN   A 1 16  ? -30.698 -4.980  -37.187 1.00 15.60 ? 22  ASN   B N   1 
ATOM   140  C CA  . ASN   A 1 16  ? -31.489 -5.822  -38.100 1.00 16.66 ? 22  ASN   B CA  1 
ATOM   141  C C   . ASN   A 1 16  ? -32.175 -6.972  -37.382 1.00 15.61 ? 22  ASN   B C   1 
ATOM   142  O O   . ASN   A 1 16  ? -33.148 -7.490  -37.894 1.00 15.64 ? 22  ASN   B O   1 
ATOM   143  C CB  . ASN   A 1 16  ? -30.616 -6.260  -39.280 1.00 20.13 ? 22  ASN   B CB  1 
ATOM   144  C CG  . ASN   A 1 16  ? -30.371 -5.103  -40.225 1.00 26.92 ? 22  ASN   B CG  1 
ATOM   145  O OD1 . ASN   A 1 16  ? -31.148 -4.147  -40.280 1.00 34.90 ? 22  ASN   B OD1 1 
ATOM   146  N ND2 . ASN   A 1 16  ? -29.287 -5.194  -40.968 1.00 36.41 ? 22  ASN   B ND2 1 
ATOM   147  N N   . THR   A 1 17  ? -31.615 -7.403  -36.232 1.00 13.51 ? 23  THR   B N   1 
ATOM   148  C CA  . THR   A 1 17  ? -32.144 -8.515  -35.435 1.00 12.40 ? 23  THR   B CA  1 
ATOM   149  C C   . THR   A 1 17  ? -33.196 -8.047  -34.424 1.00 11.62 ? 23  THR   B C   1 
ATOM   150  O O   . THR   A 1 17  ? -33.868 -8.887  -33.841 1.00 12.25 ? 23  THR   B O   1 
ATOM   151  C CB  . THR   A 1 17  ? -31.047 -9.297  -34.689 1.00 12.54 ? 23  THR   B CB  1 
ATOM   152  O OG1 . THR   A 1 17  ? -30.501 -8.467  -33.651 1.00 13.36 ? 23  THR   B OG1 1 
ATOM   153  C CG2 . THR   A 1 17  ? -30.029 -9.842  -35.681 1.00 13.93 ? 23  THR   B CG2 1 
ATOM   154  N N   . ALA   A 1 18  ? -33.277 -6.751  -34.179 1.00 11.88 ? 24  ALA   B N   1 
ATOM   155  C CA  . ALA   A 1 18  ? -34.105 -6.193  -33.089 1.00 12.14 ? 24  ALA   B CA  1 
ATOM   156  C C   . ALA   A 1 18  ? -35.588 -6.401  -33.354 1.00 12.75 ? 24  ALA   B C   1 
ATOM   157  O O   . ALA   A 1 18  ? -36.082 -6.102  -34.468 1.00 13.13 ? 24  ALA   B O   1 
ATOM   158  C CB  . ALA   A 1 18  ? -33.789 -4.745  -32.922 1.00 12.92 ? 24  ALA   B CB  1 
ATOM   159  N N   . ASN   A 1 19  ? -36.348 -6.723  -32.329 1.00 11.98 ? 25  ASN   B N   1 
ATOM   160  C CA  . ASN   A 1 19  ? -37.804 -6.515  -32.367 1.00 12.00 ? 25  ASN   B CA  1 
ATOM   161  C C   . ASN   A 1 19  ? -38.068 -5.083  -32.844 1.00 11.45 ? 25  ASN   B C   1 
ATOM   162  O O   . ASN   A 1 19  ? -37.372 -4.132  -32.463 1.00 11.28 ? 25  ASN   B O   1 
ATOM   163  C CB  . ASN   A 1 19  ? -38.338 -6.849  -30.990 1.00 13.04 ? 25  ASN   B CB  1 
ATOM   164  C CG  . ASN   A 1 19  ? -39.817 -6.609  -30.881 1.00 14.95 ? 25  ASN   B CG  1 
ATOM   165  O OD1 . ASN   A 1 19  ? -40.264 -5.496  -30.680 1.00 14.34 ? 25  ASN   B OD1 1 
ATOM   166  N ND2 . ASN   A 1 19  ? -40.562 -7.672  -31.044 1.00 19.17 ? 25  ASN   B ND2 1 
ATOM   167  N N   . SER   A 1 20  ? -39.149 -4.909  -33.576 1.00 11.18 ? 26  SER   B N   1 
ATOM   168  C CA  . SER   A 1 20  ? -39.498 -3.642  -34.236 1.00 12.07 ? 26  SER   B CA  1 
ATOM   169  C C   . SER   A 1 20  ? -39.902 -2.560  -33.244 1.00 12.34 ? 26  SER   B C   1 
ATOM   170  O O   . SER   A 1 20  ? -40.001 -1.416  -33.696 1.00 12.82 ? 26  SER   B O   1 
ATOM   171  C CB  . SER   A 1 20  ? -40.612 -3.868  -35.244 1.00 13.25 ? 26  SER   B CB  1 
ATOM   172  O OG  . SER   A 1 20  ? -41.749 -4.328  -34.536 1.00 16.44 ? 26  SER   B OG  1 
ATOM   173  N N   . TRP   A 1 21  ? -40.104 -2.832  -31.961 1.00 10.85 ? 27  TRP   B N   1 
ATOM   174  C CA  . TRP   A 1 21  ? -40.392 -1.793  -30.952 1.00 11.28 ? 27  TRP   B CA  1 
ATOM   175  C C   . TRP   A 1 21  ? -39.139 -1.300  -30.250 1.00 12.33 ? 27  TRP   B C   1 
ATOM   176  O O   . TRP   A 1 21  ? -39.251 -0.368  -29.440 1.00 12.14 ? 27  TRP   B O   1 
ATOM   177  C CB  . TRP   A 1 21  ? -41.396 -2.330  -29.967 1.00 12.68 ? 27  TRP   B CB  1 
ATOM   178  C CG  . TRP   A 1 21  ? -42.792 -2.413  -30.520 1.00 13.42 ? 27  TRP   B CG  1 
ATOM   179  C CD1 . TRP   A 1 21  ? -43.188 -2.961  -31.711 1.00 14.37 ? 27  TRP   B CD1 1 
ATOM   180  C CD2 . TRP   A 1 21  ? -43.979 -1.995  -29.845 1.00 15.80 ? 27  TRP   B CD2 1 
ATOM   181  N NE1 . TRP   A 1 21  ? -44.556 -2.842  -31.845 1.00 17.21 ? 27  TRP   B NE1 1 
ATOM   182  C CE2 . TRP   A 1 21  ? -45.055 -2.306  -30.702 1.00 14.78 ? 27  TRP   B CE2 1 
ATOM   183  C CE3 . TRP   A 1 21  ? -44.218 -1.368  -28.625 1.00 16.97 ? 27  TRP   B CE3 1 
ATOM   184  C CZ2 . TRP   A 1 21  ? -46.386 -2.021  -30.328 1.00 17.64 ? 27  TRP   B CZ2 1 
ATOM   185  C CZ3 . TRP   A 1 21  ? -45.527 -1.088  -28.262 1.00 19.25 ? 27  TRP   B CZ3 1 
ATOM   186  C CH2 . TRP   A 1 21  ? -46.582 -1.465  -29.087 1.00 19.35 ? 27  TRP   B CH2 1 
ATOM   187  N N   . LEU   A 1 22  ? -37.974 -1.887  -30.545 1.00 11.52 ? 28  LEU   B N   1 
ATOM   188  C CA  . LEU   A 1 22  ? -36.770 -1.482  -29.796 1.00 11.96 ? 28  LEU   B CA  1 
ATOM   189  C C   . LEU   A 1 22  ? -36.157 -0.231  -30.441 1.00 12.15 ? 28  LEU   B C   1 
ATOM   190  O O   . LEU   A 1 22  ? -36.146 -0.064  -31.654 1.00 13.34 ? 28  LEU   B O   1 
ATOM   191  C CB  . LEU   A 1 22  ? -35.745 -2.626  -29.793 1.00 10.86 ? 28  LEU   B CB  1 
ATOM   192  C CG  . LEU   A 1 22  ? -36.184 -3.886  -29.066 1.00 12.84 ? 28  LEU   B CG  1 
ATOM   193  C CD1 . LEU   A 1 22  ? -35.067 -4.925  -29.022 1.00 12.44 ? 28  LEU   B CD1 1 
ATOM   194  C CD2 . LEU   A 1 22  ? -36.629 -3.622  -27.681 1.00 13.75 ? 28  LEU   B CD2 1 
ATOM   195  N N   . ILE   A 1 23  ? -35.504 0.522   -29.562 1.00 11.33 ? 29  ILE   B N   1 
ATOM   196  C CA  . ILE   A 1 23  ? -34.720 1.723   -29.948 1.00 12.94 ? 29  ILE   B CA  1 
ATOM   197  C C   . ILE   A 1 23  ? -33.280 1.518   -29.504 1.00 13.04 ? 29  ILE   B C   1 
ATOM   198  O O   . ILE   A 1 23  ? -33.007 1.410   -28.297 1.00 12.99 ? 29  ILE   B O   1 
ATOM   199  C CB  . ILE   A 1 23  ? -35.275 2.980   -29.335 1.00 13.45 ? 29  ILE   B CB  1 
ATOM   200  C CG1 . ILE   A 1 23  ? -36.741 3.257   -29.754 1.00 13.80 ? 29  ILE   B CG1 1 
ATOM   201  C CG2 . ILE   A 1 23  ? -34.390 4.178   -29.739 1.00 14.42 ? 29  ILE   B CG2 1 
ATOM   202  C CD1 . ILE   A 1 23  ? -37.390 4.329   -28.990 1.00 15.75 ? 29  ILE   B CD1 1 
ATOM   203  N N   . ILE   A 1 24  ? -32.418 1.388   -30.497 1.00 14.71 ? 30  ILE   B N   1 
ATOM   204  C CA  . ILE   A 1 24  ? -30.961 1.177   -30.295 1.00 15.09 ? 30  ILE   B CA  1 
ATOM   205  C C   . ILE   A 1 24  ? -30.271 2.513   -30.468 1.00 16.56 ? 30  ILE   B C   1 
ATOM   206  O O   . ILE   A 1 24  ? -30.525 3.218   -31.497 1.00 18.16 ? 30  ILE   B O   1 
ATOM   207  C CB  . ILE   A 1 24  ? -30.438 0.111   -31.247 1.00 15.74 ? 30  ILE   B CB  1 
ATOM   208  C CG1 . ILE   A 1 24  ? -30.963 -1.266  -30.863 1.00 18.53 ? 30  ILE   B CG1 1 
ATOM   209  C CG2 . ILE   A 1 24  ? -28.911 0.109   -31.247 1.00 16.61 ? 30  ILE   B CG2 1 
ATOM   210  C CD1 . ILE   A 1 24  ? -30.743 -2.258  -31.827 1.00 22.41 ? 30  ILE   B CD1 1 
ATOM   211  N N   . SER   A 1 25  ? -29.382 2.886   -29.572 1.00 15.90 ? 31  SER   B N   1 
ATOM   212  C CA  . SER   A 1 25  ? -28.688 4.178   -29.636 1.00 16.31 ? 31  SER   B CA  1 
ATOM   213  C C   . SER   A 1 25  ? -27.756 4.245   -30.857 1.00 15.39 ? 31  SER   B C   1 
ATOM   214  O O   . SER   A 1 25  ? -27.385 3.248   -31.425 1.00 15.57 ? 31  SER   B O   1 
ATOM   215  C CB  . SER   A 1 25  ? -27.970 4.377   -28.357 1.00 16.98 ? 31  SER   B CB  1 
ATOM   216  O OG  . SER   A 1 25  ? -26.975 3.361   -28.181 1.00 17.32 ? 31  SER   B OG  1 
ATOM   217  N N   . LYS   A 1 26  ? -27.396 5.481   -31.239 1.00 19.51 ? 32  LYS   B N   1 
ATOM   218  C CA  . LYS   A 1 26  ? -26.487 5.742   -32.383 1.00 20.13 ? 32  LYS   B CA  1 
ATOM   219  C C   . LYS   A 1 26  ? -25.193 4.928   -32.255 1.00 17.44 ? 32  LYS   B C   1 
ATOM   220  O O   . LYS   A 1 26  ? -24.715 4.450   -33.284 1.00 20.67 ? 32  LYS   B O   1 
ATOM   221  C CB  . LYS   A 1 26  ? -26.176 7.246   -32.384 1.00 23.75 ? 32  LYS   B CB  1 
ATOM   222  C CG  . LYS   A 1 26  ? -25.174 7.667   -33.425 1.00 28.35 ? 32  LYS   B CG  1 
ATOM   223  C CD  . LYS   A 1 26  ? -25.356 9.112   -33.744 1.00 27.54 ? 32  LYS   B CD  1 
ATOM   224  C CE  . LYS   A 1 26  ? -25.259 9.981   -32.524 1.00 33.14 ? 32  LYS   B CE  1 
ATOM   225  N NZ  . LYS   A 1 26  ? -25.342 11.385  -32.964 1.00 33.95 ? 32  LYS   B NZ  1 
ATOM   226  N N   . ASP   A 1 27  ? -24.637 4.852   -31.049 1.00 18.87 ? 33  ASP   B N   1 
ATOM   227  C CA  . ASP   A 1 27  ? -23.353 4.129   -30.835 1.00 17.92 ? 33  ASP   B CA  1 
ATOM   228  C C   . ASP   A 1 27  ? -23.574 2.607   -30.792 1.00 16.73 ? 33  ASP   B C   1 
ATOM   229  O O   . ASP   A 1 27  ? -22.567 1.859   -30.681 1.00 17.17 ? 33  ASP   B O   1 
ATOM   230  C CB  . ASP   A 1 27  ? -22.617 4.614   -29.588 1.00 18.97 ? 33  ASP   B CB  1 
ATOM   231  C CG  . ASP   A 1 27  ? -23.288 4.366   -28.250 1.00 19.68 ? 33  ASP   B CG  1 
ATOM   232  O OD1 . ASP   A 1 27  ? -24.376 3.713   -28.214 1.00 19.50 ? 33  ASP   B OD1 1 
ATOM   233  O OD2 . ASP   A 1 27  ? -22.686 4.787   -27.245 1.00 23.30 ? 33  ASP   B OD2 1 
ATOM   234  N N   . ARG   A 1 28  ? -24.801 2.124   -30.894 1.00 15.06 ? 34  ARG   B N   1 
ATOM   235  C CA  . ARG   A 1 28  ? -25.130 0.683   -30.897 1.00 14.89 ? 34  ARG   B CA  1 
ATOM   236  C C   . ARG   A 1 28  ? -24.722 0.045   -29.545 1.00 12.46 ? 34  ARG   B C   1 
ATOM   237  O O   . ARG   A 1 28  ? -24.555 -1.190  -29.551 1.00 13.69 ? 34  ARG   B O   1 
ATOM   238  C CB  . ARG   A 1 28  ? -24.561 -0.007  -32.143 1.00 18.17 ? 34  ARG   B CB  1 
ATOM   239  C CG  . ARG   A 1 28  ? -25.185 0.561   -33.417 1.00 24.78 ? 34  ARG   B CG  1 
ATOM   240  C CD  . ARG   A 1 28  ? -24.744 -0.022  -34.732 1.00 32.19 ? 34  ARG   B CD  1 
ATOM   241  N NE  . ARG   A 1 28  ? -23.321 -0.174  -34.949 1.00 43.09 ? 34  ARG   B NE  1 
ATOM   242  C CZ  . ARG   A 1 28  ? -22.647 -1.336  -34.933 1.00 56.26 ? 34  ARG   B CZ  1 
ATOM   243  N NH1 . ARG   A 1 28  ? -23.253 -2.497  -34.675 1.00 53.77 ? 34  ARG   B NH1 1 
ATOM   244  N NH2 . ARG   A 1 28  ? -21.343 -1.322  -35.180 1.00 59.08 ? 34  ARG   B NH2 1 
ATOM   245  N N   . ARG   A 1 29  ? -24.671 0.792   -28.472 1.00 12.44 ? 35  ARG   B N   1 
ATOM   246  C CA  . ARG   A 1 29  ? -24.303 0.248   -27.147 1.00 13.43 ? 35  ARG   B CA  1 
ATOM   247  C C   . ARG   A 1 29  ? -25.456 0.258   -26.145 1.00 13.54 ? 35  ARG   B C   1 
ATOM   248  O O   . ARG   A 1 29  ? -25.289 -0.316  -25.064 1.00 14.81 ? 35  ARG   B O   1 
ATOM   249  C CB  . ARG   A 1 29  ? -23.118 1.020   -26.564 1.00 14.58 ? 35  ARG   B CB  1 
ATOM   250  C CG  . ARG   A 1 29  ? -21.905 0.938   -27.479 1.00 17.82 ? 35  ARG   B CG  1 
ATOM   251  C CD  . ARG   A 1 29  ? -21.050 -0.253  -27.235 1.00 19.78 ? 35  ARG   B CD  1 
ATOM   252  N NE  . ARG   A 1 29  ? -20.291 -0.065  -26.002 1.00 20.53 ? 35  ARG   B NE  1 
ATOM   253  C CZ  . ARG   A 1 29  ? -19.552 -1.014  -25.403 1.00 20.01 ? 35  ARG   B CZ  1 
ATOM   254  N NH1 . ARG   A 1 29  ? -19.436 -2.192  -25.954 1.00 19.58 ? 35  ARG   B NH1 1 
ATOM   255  N NH2 . ARG   A 1 29  ? -18.908 -0.747  -24.284 1.00 20.66 ? 35  ARG   B NH2 1 
ATOM   256  N N   . GLN   A 1 30  ? -26.616 0.833   -26.445 1.00 12.63 ? 36  GLN   B N   1 
ATOM   257  C CA  . GLN   A 1 30  ? -27.777 0.865   -25.556 1.00 12.96 ? 36  GLN   B CA  1 
ATOM   258  C C   . GLN   A 1 30  ? -29.032 0.456   -26.322 1.00 12.39 ? 36  GLN   B C   1 
ATOM   259  O O   . GLN   A 1 30  ? -29.156 0.728   -27.540 1.00 13.14 ? 36  GLN   B O   1 
ATOM   260  C CB  . GLN   A 1 30  ? -28.000 2.252   -24.966 1.00 15.50 ? 36  GLN   B CB  1 
ATOM   261  C CG  . GLN   A 1 30  ? -26.760 2.864   -24.356 1.00 18.62 ? 36  GLN   B CG  1 
ATOM   262  C CD  . GLN   A 1 30  ? -27.135 4.124   -23.604 1.00 23.49 ? 36  GLN   B CD  1 
ATOM   263  O OE1 . GLN   A 1 30  ? -28.287 4.336   -23.203 1.00 26.21 ? 36  GLN   B OE1 1 
ATOM   264  N NE2 . GLN   A 1 30  ? -26.143 4.949   -23.355 1.00 28.73 ? 36  GLN   B NE2 1 
ATOM   265  N N   . VAL   A 1 31  ? -29.974 -0.133  -25.599 1.00 11.70 ? 37  VAL   B N   1 
ATOM   266  C CA  . VAL   A 1 31  ? -31.266 -0.524  -26.210 1.00 11.54 ? 37  VAL   B CA  1 
ATOM   267  C C   . VAL   A 1 31  ? -32.354 -0.343  -25.162 1.00 11.73 ? 37  VAL   B C   1 
ATOM   268  O O   . VAL   A 1 31  ? -32.154 -0.730  -24.011 1.00 11.36 ? 37  VAL   B O   1 
ATOM   269  C CB  . VAL   A 1 31  ? -31.216 -1.927  -26.812 1.00 10.89 ? 37  VAL   B CB  1 
ATOM   270  C CG1 . VAL   A 1 31  ? -30.805 -3.006  -25.788 1.00 11.21 ? 37  VAL   B CG1 1 
ATOM   271  C CG2 . VAL   A 1 31  ? -32.542 -2.300  -27.466 1.00 12.41 ? 37  VAL   B CG2 1 
ATOM   272  N N   . ARG   A 1 32  ? -33.506 0.159   -25.582 1.00 11.81 ? 38  ARG   B N   1 
ATOM   273  C CA  . ARG   A 1 32  ? -34.688 0.236   -24.707 1.00 12.48 ? 38  ARG   B CA  1 
ATOM   274  C C   . ARG   A 1 32  ? -35.937 -0.075  -25.523 1.00 12.45 ? 38  ARG   B C   1 
ATOM   275  O O   . ARG   A 1 32  ? -35.934 0.009   -26.764 1.00 11.58 ? 38  ARG   B O   1 
ATOM   276  C CB  . ARG   A 1 32  ? -34.801 1.603   -24.046 1.00 13.76 ? 38  ARG   B CB  1 
ATOM   277  C CG  . ARG   A 1 32  ? -35.085 2.725   -25.020 1.00 16.56 ? 38  ARG   B CG  1 
ATOM   278  C CD  . ARG   A 1 32  ? -35.054 4.051   -24.239 1.00 19.61 ? 38  ARG   B CD  1 
ATOM   279  N NE  . ARG   A 1 32  ? -35.332 5.163   -25.128 1.00 24.37 ? 38  ARG   B NE  1 
ATOM   280  C CZ  . ARG   A 1 32  ? -36.528 5.632   -25.420 1.00 21.23 ? 38  ARG   B CZ  1 
ATOM   281  N NH1 . ARG   A 1 32  ? -37.629 5.081   -24.959 1.00 27.56 ? 38  ARG   B NH1 1 
ATOM   282  N NH2 . ARG   A 1 32  ? -36.597 6.683   -26.251 1.00 28.26 ? 38  ARG   B NH2 1 
ATOM   283  N N   A MET   A 1 33  ? -36.987 -0.378  -24.763 0.25 11.83 ? 39  MET   B N   1 
ATOM   284  N N   B MET   A 1 33  ? -37.013 -0.478  -24.841 0.25 13.12 ? 39  MET   B N   1 
ATOM   285  C CA  A MET   A 1 33  ? -38.353 -0.597  -25.292 0.25 12.72 ? 39  MET   B CA  1 
ATOM   286  C CA  B MET   A 1 33  ? -38.290 -0.756  -25.563 0.25 14.22 ? 39  MET   B CA  1 
ATOM   287  C C   A MET   A 1 33  ? -38.942 0.764   -25.699 0.25 12.72 ? 39  MET   B C   1 
ATOM   288  C C   B MET   A 1 33  ? -39.081 0.547   -25.678 0.25 13.96 ? 39  MET   B C   1 
ATOM   289  O O   A MET   A 1 33  ? -38.894 1.729   -24.926 0.25 12.48 ? 39  MET   B O   1 
ATOM   290  O O   B MET   A 1 33  ? -39.409 1.154   -24.617 0.25 12.86 ? 39  MET   B O   1 
ATOM   291  C CB  A MET   A 1 33  ? -39.199 -1.298  -24.223 0.25 13.22 ? 39  MET   B CB  1 
ATOM   292  C CB  B MET   A 1 33  ? -39.179 -1.822  -24.913 0.25 16.73 ? 39  MET   B CB  1 
ATOM   293  C CG  A MET   A 1 33  ? -40.558 -1.819  -24.730 0.25 15.08 ? 39  MET   B CG  1 
ATOM   294  C CG  B MET   A 1 33  ? -40.517 -2.046  -25.702 0.25 18.64 ? 39  MET   B CG  1 
ATOM   295  S SD  A MET   A 1 33  ? -40.428 -2.891  -26.233 0.25 16.65 ? 39  MET   B SD  1 
ATOM   296  S SD  B MET   A 1 33  ? -41.288 -3.602  -25.224 0.25 23.35 ? 39  MET   B SD  1 
ATOM   297  C CE  A MET   A 1 33  ? -42.050 -3.648  -26.325 0.25 16.05 ? 39  MET   B CE  1 
ATOM   298  C CE  B MET   A 1 33  ? -42.699 -3.570  -26.328 0.25 22.46 ? 39  MET   B CE  1 
ATOM   299  N N   . GLY   A 1 34  ? -39.402 0.872   -26.933 1.00 13.24 ? 40  GLY   B N   1 
ATOM   300  C CA  . GLY   A 1 34  ? -40.194 2.046   -27.337 1.00 15.46 ? 40  GLY   B CA  1 
ATOM   301  C C   . GLY   A 1 34  ? -41.644 1.883   -26.936 1.00 15.79 ? 40  GLY   B C   1 
ATOM   302  O O   . GLY   A 1 34  ? -42.067 0.792   -26.541 1.00 16.20 ? 40  GLY   B O   1 
ATOM   303  N N   . ASP   A 1 35  ? -42.394 2.992   -26.975 1.00 20.01 ? 41  ASP   B N   1 
ATOM   304  C CA  . ASP   A 1 35  ? -43.834 2.933   -26.589 1.00 22.79 ? 41  ASP   B CA  1 
ATOM   305  C C   . ASP   A 1 35  ? -44.683 2.572   -27.832 1.00 23.22 ? 41  ASP   B C   1 
ATOM   306  O O   . ASP   A 1 35  ? -45.916 2.403   -27.685 1.00 23.87 ? 41  ASP   B O   1 
ATOM   307  C CB  . ASP   A 1 35  ? -44.250 4.231   -25.869 1.00 29.45 ? 41  ASP   B CB  1 
ATOM   308  C CG  . ASP   A 1 35  ? -43.850 4.345   -24.382 1.00 40.12 ? 41  ASP   B CG  1 
ATOM   309  O OD1 . ASP   A 1 35  ? -43.668 3.296   -23.697 1.00 42.38 ? 41  ASP   B OD1 1 
ATOM   310  O OD2 . ASP   A 1 35  ? -43.739 5.488   -23.882 1.00 43.08 ? 41  ASP   B OD2 1 
ATOM   311  N N   . THR   A 1 36  ? -44.063 2.261   -28.959 1.00 17.64 ? 42  THR   B N   1 
ATOM   312  C CA  . THR   A 1 36  ? -44.777 1.927   -30.236 1.00 16.80 ? 42  THR   B CA  1 
ATOM   313  C C   . THR   A 1 36  ? -43.829 1.229   -31.219 1.00 15.32 ? 42  THR   B C   1 
ATOM   314  O O   . THR   A 1 36  ? -42.558 1.212   -31.021 1.00 13.47 ? 42  THR   B O   1 
ATOM   315  C CB  . THR   A 1 36  ? -45.340 3.242   -30.778 1.00 19.58 ? 42  THR   B CB  1 
ATOM   316  O OG1 . THR   A 1 36  ? -46.229 2.961   -31.830 1.00 21.30 ? 42  THR   B OG1 1 
ATOM   317  C CG2 . THR   A 1 36  ? -44.259 4.138   -31.335 1.00 21.71 ? 42  THR   B CG2 1 
ATOM   318  N N   . HIS   A 1 37  ? -44.323 0.773   -32.366 1.00 15.20 ? 43  HIS   B N   1 
ATOM   319  C CA  . HIS   A 1 37  ? -43.488 0.307   -33.511 1.00 14.25 ? 43  HIS   B CA  1 
ATOM   320  C C   . HIS   A 1 37  ? -42.539 1.405   -33.945 1.00 15.87 ? 43  HIS   B C   1 
ATOM   321  O O   . HIS   A 1 37  ? -43.013 2.556   -34.160 1.00 16.35 ? 43  HIS   B O   1 
ATOM   322  C CB  . HIS   A 1 37  ? -44.431 -0.180  -34.625 1.00 14.07 ? 43  HIS   B CB  1 
ATOM   323  C CG  . HIS   A 1 37  ? -43.810 -0.835  -35.802 1.00 13.47 ? 43  HIS   B CG  1 
ATOM   324  N ND1 . HIS   A 1 37  ? -43.013 -0.176  -36.739 1.00 13.68 ? 43  HIS   B ND1 1 
ATOM   325  C CD2 . HIS   A 1 37  ? -43.904 -2.110  -36.234 1.00 13.19 ? 43  HIS   B CD2 1 
ATOM   326  C CE1 . HIS   A 1 37  ? -42.676 -1.022  -37.690 1.00 14.17 ? 43  HIS   B CE1 1 
ATOM   327  N NE2 . HIS   A 1 37  ? -43.203 -2.265  -37.383 1.00 14.16 ? 43  HIS   B NE2 1 
ATOM   328  N N   . GLN   A 1 38  ? -41.272 1.088   -34.202 1.00 13.76 ? 44  GLN   B N   1 
ATOM   329  C CA  . GLN   A 1 38  ? -40.244 2.100   -34.477 1.00 14.27 ? 44  GLN   B CA  1 
ATOM   330  C C   . GLN   A 1 38  ? -40.046 2.381   -35.973 1.00 15.07 ? 44  GLN   B C   1 
ATOM   331  O O   . GLN   A 1 38  ? -39.025 2.975   -36.365 1.00 16.28 ? 44  GLN   B O   1 
ATOM   332  C CB  . GLN   A 1 38  ? -38.933 1.701   -33.798 1.00 14.11 ? 44  GLN   B CB  1 
ATOM   333  C CG  . GLN   A 1 38  ? -39.065 1.774   -32.315 1.00 13.99 ? 44  GLN   B CG  1 
ATOM   334  C CD  . GLN   A 1 38  ? -39.564 3.086   -31.791 1.00 14.12 ? 44  GLN   B CD  1 
ATOM   335  O OE1 . GLN   A 1 38  ? -40.523 3.200   -31.013 1.00 17.36 ? 44  GLN   B OE1 1 
ATOM   336  N NE2 . GLN   A 1 38  ? -38.941 4.148   -32.254 1.00 13.28 ? 44  GLN   B NE2 1 
ATOM   337  N N   . ASN   A 1 39  ? -40.995 1.985   -36.809 1.00 14.23 ? 45  ASN   B N   1 
ATOM   338  C CA  . ASN   A 1 39  ? -41.092 2.469   -38.227 1.00 13.22 ? 45  ASN   B CA  1 
ATOM   339  C C   . ASN   A 1 39  ? -40.014 1.846   -39.081 1.00 14.39 ? 45  ASN   B C   1 
ATOM   340  O O   . ASN   A 1 39  ? -39.547 2.436   -40.070 1.00 16.86 ? 45  ASN   B O   1 
ATOM   341  C CB  . ASN   A 1 39  ? -41.174 4.013   -38.355 1.00 13.74 ? 45  ASN   B CB  1 
ATOM   342  C CG  . ASN   A 1 39  ? -41.816 4.417   -39.678 1.00 13.94 ? 45  ASN   B CG  1 
ATOM   343  O OD1 . ASN   A 1 39  ? -42.714 3.739   -40.199 1.00 13.25 ? 45  ASN   B OD1 1 
ATOM   344  N ND2 . ASN   A 1 39  ? -41.348 5.519   -40.285 1.00 12.96 ? 45  ASN   B ND2 1 
ATOM   345  N N   . VAL   A 1 40  ? -39.660 0.604   -38.789 1.00 15.73 ? 46  VAL   B N   1 
ATOM   346  C CA  . VAL   A 1 40  ? -38.688 -0.216  -39.561 1.00 16.81 ? 46  VAL   B CA  1 
ATOM   347  C C   . VAL   A 1 40  ? -39.459 -1.252  -40.402 1.00 15.25 ? 46  VAL   B C   1 
ATOM   348  O O   . VAL   A 1 40  ? -40.528 -1.684  -39.979 1.00 15.79 ? 46  VAL   B O   1 
ATOM   349  C CB  . VAL   A 1 40  ? -37.687 -0.920  -38.611 1.00 17.47 ? 46  VAL   B CB  1 
ATOM   350  C CG1 . VAL   A 1 40  ? -36.774 0.082   -37.935 1.00 21.14 ? 46  VAL   B CG1 1 
ATOM   351  C CG2 . VAL   A 1 40  ? -38.371 -1.800  -37.577 1.00 18.39 ? 46  VAL   B CG2 1 
ATOM   352  N N   . SER   A 1 41  ? -38.872 -1.690  -41.503 1.00 17.68 ? 47  SER   B N   1 
ATOM   353  C CA  . SER   A 1 41  ? -39.405 -2.833  -42.270 1.00 18.70 ? 47  SER   B CA  1 
ATOM   354  C C   . SER   A 1 41  ? -39.221 -4.153  -41.513 1.00 18.64 ? 47  SER   B C   1 
ATOM   355  O O   . SER   A 1 41  ? -38.287 -4.284  -40.704 1.00 17.06 ? 47  SER   B O   1 
ATOM   356  C CB  . SER   A 1 41  ? -38.779 -2.881  -43.661 1.00 21.39 ? 47  SER   B CB  1 
ATOM   357  O OG  . SER   A 1 41  ? -37.383 -3.048  -43.569 1.00 23.19 ? 47  SER   B OG  1 
ATOM   358  N N   . ASP   A 1 42  ? -40.060 -5.132  -41.769 1.00 18.25 ? 48  ASP   B N   1 
ATOM   359  C CA  . ASP   A 1 42  ? -39.900 -6.488  -41.202 1.00 18.45 ? 48  ASP   B CA  1 
ATOM   360  C C   . ASP   A 1 42  ? -38.832 -7.225  -42.010 1.00 19.59 ? 48  ASP   B C   1 
ATOM   361  O O   . ASP   A 1 42  ? -38.560 -6.876  -43.177 1.00 20.08 ? 48  ASP   B O   1 
ATOM   362  C CB  . ASP   A 1 42  ? -41.227 -7.221  -41.163 1.00 19.74 ? 48  ASP   B CB  1 
ATOM   363  C CG  . ASP   A 1 42  ? -41.118 -8.485  -40.353 1.00 23.97 ? 48  ASP   B CG  1 
ATOM   364  O OD1 . ASP   A 1 42  ? -40.426 -8.490  -39.240 1.00 18.68 ? 48  ASP   B OD1 1 
ATOM   365  O OD2 . ASP   A 1 42  ? -41.610 -9.498  -40.913 1.00 30.65 ? 48  ASP   B OD2 1 
ATOM   366  N N   . ASN   A 1 43  ? -38.173 -8.206  -41.368 1.00 17.41 ? 49  ASN   B N   1 
ATOM   367  C CA  . ASN   A 1 43  ? -37.182 -9.077  -42.042 1.00 18.44 ? 49  ASN   B CA  1 
ATOM   368  C C   . ASN   A 1 43  ? -37.125 -10.392 -41.260 1.00 18.36 ? 49  ASN   B C   1 
ATOM   369  O O   . ASN   A 1 43  ? -37.725 -10.502 -40.167 1.00 19.12 ? 49  ASN   B O   1 
ATOM   370  C CB  . ASN   A 1 43  ? -35.836 -8.399  -42.212 1.00 18.74 ? 49  ASN   B CB  1 
ATOM   371  C CG  . ASN   A 1 43  ? -35.107 -8.219  -40.894 1.00 18.34 ? 49  ASN   B CG  1 
ATOM   372  O OD1 . ASN   A 1 43  ? -34.926 -9.179  -40.142 1.00 20.27 ? 49  ASN   B OD1 1 
ATOM   373  N ND2 . ASN   A 1 43  ? -34.729 -7.038  -40.550 1.00 17.24 ? 49  ASN   B ND2 1 
ATOM   374  N N   . LYS   A 1 44  ? -36.496 -11.392 -41.839 1.00 20.14 ? 50  LYS   B N   1 
ATOM   375  C CA  . LYS   A 1 44  ? -36.529 -12.749 -41.247 1.00 20.97 ? 50  LYS   B CA  1 
ATOM   376  C C   . LYS   A 1 44  ? -35.631 -12.835 -39.992 1.00 18.77 ? 50  LYS   B C   1 
ATOM   377  O O   . LYS   A 1 44  ? -35.847 -13.813 -39.215 1.00 19.53 ? 50  LYS   B O   1 
ATOM   378  C CB  . LYS   A 1 44  ? -36.034 -13.786 -42.272 1.00 24.97 ? 50  LYS   B CB  1 
ATOM   379  C CG  . LYS   A 1 44  ? -34.612 -13.559 -42.731 1.00 29.54 ? 50  LYS   B CG  1 
ATOM   380  C CD  . LYS   A 1 44  ? -34.174 -14.401 -43.924 1.00 40.44 ? 50  LYS   B CD  1 
ATOM   381  C CE  . LYS   A 1 44  ? -32.668 -14.557 -43.953 1.00 44.65 ? 50  LYS   B CE  1 
ATOM   382  N NZ  . LYS   A 1 44  ? -32.238 -15.342 -45.134 1.00 52.48 ? 50  LYS   B NZ  1 
ATOM   383  N N   . GLU   A 1 45  ? -34.731 -11.877 -39.781 1.00 17.29 ? 51  GLU   B N   1 
ATOM   384  C CA  . GLU   A 1 45  ? -33.822 -11.880 -38.591 1.00 17.19 ? 51  GLU   B CA  1 
ATOM   385  C C   . GLU   A 1 45  ? -34.562 -11.375 -37.338 1.00 16.01 ? 51  GLU   B C   1 
ATOM   386  O O   . GLU   A 1 45  ? -34.133 -11.716 -36.189 1.00 16.95 ? 51  GLU   B O   1 
ATOM   387  C CB  . GLU   A 1 45  ? -32.597 -11.029 -38.838 1.00 19.86 ? 51  GLU   B CB  1 
ATOM   388  C CG  . GLU   A 1 45  ? -31.666 -11.508 -39.953 1.00 24.60 ? 51  GLU   B CG  1 
ATOM   389  C CD  . GLU   A 1 45  ? -30.516 -10.530 -40.151 1.00 31.04 ? 51  GLU   B CD  1 
ATOM   390  O OE1 . GLU   A 1 45  ? -30.563 -9.744  -41.137 1.00 40.86 ? 51  GLU   B OE1 1 
ATOM   391  O OE2 . GLU   A 1 45  ? -29.600 -10.483 -39.313 1.00 36.79 ? 51  GLU   B OE2 1 
ATOM   392  N N   . ARG   A 1 46  ? -35.591 -10.544 -37.463 1.00 14.62 ? 52  ARG   B N   1 
ATOM   393  C CA  . ARG   A 1 46  ? -36.141 -9.847  -36.274 1.00 14.14 ? 52  ARG   B CA  1 
ATOM   394  C C   . ARG   A 1 46  ? -36.860 -10.793 -35.339 1.00 14.11 ? 52  ARG   B C   1 
ATOM   395  O O   . ARG   A 1 46  ? -37.702 -11.622 -35.749 1.00 14.44 ? 52  ARG   B O   1 
ATOM   396  C CB  . ARG   A 1 46  ? -37.148 -8.753  -36.657 1.00 13.04 ? 52  ARG   B CB  1 
ATOM   397  C CG  . ARG   A 1 46  ? -36.562 -7.611  -37.456 1.00 14.96 ? 52  ARG   B CG  1 
ATOM   398  C CD  . ARG   A 1 46  ? -37.503 -6.365  -37.390 1.00 13.65 ? 52  ARG   B CD  1 
ATOM   399  N NE  . ARG   A 1 46  ? -36.978 -5.349  -38.286 1.00 15.47 ? 52  ARG   B NE  1 
ATOM   400  C CZ  . ARG   A 1 46  ? -35.890 -4.623  -38.066 1.00 14.35 ? 52  ARG   B CZ  1 
ATOM   401  N NH1 . ARG   A 1 46  ? -35.256 -4.666  -36.893 1.00 13.90 ? 52  ARG   B NH1 1 
ATOM   402  N NH2 . ARG   A 1 46  ? -35.391 -3.806  -39.000 1.00 16.79 ? 52  ARG   B NH2 1 
ATOM   403  N N   . PHE   A 1 47  ? -36.589 -10.717 -34.034 1.00 12.22 ? 53  PHE   B N   1 
ATOM   404  C CA  . PHE   A 1 47  ? -37.397 -11.419 -33.030 1.00 12.20 ? 53  PHE   B CA  1 
ATOM   405  C C   . PHE   A 1 47  ? -38.811 -10.816 -33.032 1.00 14.73 ? 53  PHE   B C   1 
ATOM   406  O O   . PHE   A 1 47  ? -38.975 -9.626  -32.785 1.00 15.05 ? 53  PHE   B O   1 
ATOM   407  C CB  . PHE   A 1 47  ? -36.800 -11.318 -31.632 1.00 11.84 ? 53  PHE   B CB  1 
ATOM   408  C CG  . PHE   A 1 47  ? -35.562 -12.180 -31.490 1.00 11.23 ? 53  PHE   B CG  1 
ATOM   409  C CD1 . PHE   A 1 47  ? -35.678 -13.543 -31.273 1.00 11.24 ? 53  PHE   B CD1 1 
ATOM   410  C CD2 . PHE   A 1 47  ? -34.294 -11.621 -31.528 1.00 13.22 ? 53  PHE   B CD2 1 
ATOM   411  C CE1 . PHE   A 1 47  ? -34.553 -14.338 -31.130 1.00 12.50 ? 53  PHE   B CE1 1 
ATOM   412  C CE2 . PHE   A 1 47  ? -33.168 -12.441 -31.385 1.00 12.47 ? 53  PHE   B CE2 1 
ATOM   413  C CZ  . PHE   A 1 47  ? -33.325 -13.794 -31.197 1.00 11.16 ? 53  PHE   B CZ  1 
ATOM   414  N N   . SER   A 1 48  ? -39.816 -11.603 -33.336 1.00 14.90 ? 54  SER   B N   1 
ATOM   415  C CA  . SER   A 1 48  ? -41.191 -11.080 -33.541 1.00 16.21 ? 54  SER   B CA  1 
ATOM   416  C C   . SER   A 1 48  ? -41.952 -10.954 -32.231 1.00 15.28 ? 54  SER   B C   1 
ATOM   417  O O   . SER   A 1 48  ? -42.724 -9.974  -32.087 1.00 18.00 ? 54  SER   B O   1 
ATOM   418  C CB  . SER   A 1 48  ? -41.928 -11.978 -34.521 1.00 16.75 ? 54  SER   B CB  1 
ATOM   419  O OG  . SER   A 1 48  ? -42.106 -13.297 -34.060 1.00 16.19 ? 54  SER   B OG  1 
ATOM   420  N N   . ASN   A 1 49  ? -41.842 -11.883 -31.301 1.00 14.10 ? 55  ASN   B N   1 
ATOM   421  C CA  . ASN   A 1 49  ? -42.764 -12.040 -30.152 1.00 15.50 ? 55  ASN   B CA  1 
ATOM   422  C C   . ASN   A 1 49  ? -42.287 -11.292 -28.910 1.00 14.44 ? 55  ASN   B C   1 
ATOM   423  O O   . ASN   A 1 49  ? -43.104 -11.102 -27.981 1.00 17.12 ? 55  ASN   B O   1 
ATOM   424  C CB  . ASN   A 1 49  ? -43.061 -13.491 -29.788 1.00 16.88 ? 55  ASN   B CB  1 
ATOM   425  C CG  . ASN   A 1 49  ? -43.969 -14.203 -30.788 1.00 19.79 ? 55  ASN   B CG  1 
ATOM   426  O OD1 . ASN   A 1 49  ? -43.786 -14.061 -31.988 1.00 21.86 ? 55  ASN   B OD1 1 
ATOM   427  N ND2 . ASN   A 1 49  ? -44.894 -15.001 -30.262 1.00 23.88 ? 55  ASN   B ND2 1 
ATOM   428  N N   . TYR   A 1 50  ? -40.976 -11.052 -28.792 1.00 12.85 ? 56  TYR   B N   1 
ATOM   429  C CA  . TYR   A 1 50  ? -40.403 -10.581 -27.515 1.00 11.93 ? 56  TYR   B CA  1 
ATOM   430  C C   . TYR   A 1 50  ? -39.435 -9.437  -27.808 1.00 11.20 ? 56  TYR   B C   1 
ATOM   431  O O   . TYR   A 1 50  ? -38.876 -9.343  -28.903 1.00 11.97 ? 56  TYR   B O   1 
ATOM   432  C CB  . TYR   A 1 50  ? -39.617 -11.712 -26.827 1.00 12.45 ? 56  TYR   B CB  1 
ATOM   433  C CG  . TYR   A 1 50  ? -40.344 -13.046 -26.772 1.00 13.83 ? 56  TYR   B CG  1 
ATOM   434  C CD1 . TYR   A 1 50  ? -41.450 -13.199 -25.958 1.00 15.91 ? 56  TYR   B CD1 1 
ATOM   435  C CD2 . TYR   A 1 50  ? -39.973 -14.157 -27.533 1.00 14.26 ? 56  TYR   B CD2 1 
ATOM   436  C CE1 . TYR   A 1 50  ? -42.138 -14.414 -25.879 1.00 18.59 ? 56  TYR   B CE1 1 
ATOM   437  C CE2 . TYR   A 1 50  ? -40.688 -15.347 -27.519 1.00 14.77 ? 56  TYR   B CE2 1 
ATOM   438  C CZ  . TYR   A 1 50  ? -41.738 -15.493 -26.636 1.00 17.09 ? 56  TYR   B CZ  1 
ATOM   439  O OH  . TYR   A 1 50  ? -42.385 -16.704 -26.558 1.00 17.27 ? 56  TYR   B OH  1 
ATOM   440  N N   . PRO   A 1 51  ? -39.124 -8.594  -26.791 1.00 10.79 ? 57  PRO   B N   1 
ATOM   441  C CA  . PRO   A 1 51  ? -38.248 -7.434  -26.985 1.00 11.03 ? 57  PRO   B CA  1 
ATOM   442  C C   . PRO   A 1 51  ? -36.723 -7.733  -26.977 1.00 10.18 ? 57  PRO   B C   1 
ATOM   443  O O   . PRO   A 1 51  ? -35.963 -7.223  -26.196 1.00 11.04 ? 57  PRO   B O   1 
ATOM   444  C CB  . PRO   A 1 51  ? -38.647 -6.459  -25.841 1.00 12.46 ? 57  PRO   B CB  1 
ATOM   445  C CG  . PRO   A 1 51  ? -39.898 -7.063  -25.229 1.00 13.39 ? 57  PRO   B CG  1 
ATOM   446  C CD  . PRO   A 1 51  ? -39.805 -8.519  -25.509 1.00 11.85 ? 57  PRO   B CD  1 
ATOM   447  N N   . MET   A 1 52  ? -36.342 -8.597  -27.918 1.00 10.24 ? 58  MET   B N   1 
ATOM   448  C CA  . MET   A 1 52  ? -34.990 -9.206  -28.015 1.00 9.60  ? 58  MET   B CA  1 
ATOM   449  C C   . MET   A 1 52  ? -34.198 -8.639  -29.179 1.00 9.87  ? 58  MET   B C   1 
ATOM   450  O O   . MET   A 1 52  ? -34.723 -8.111  -30.175 1.00 10.17 ? 58  MET   B O   1 
ATOM   451  C CB  . MET   A 1 52  ? -35.122 -10.712 -28.196 1.00 10.61 ? 58  MET   B CB  1 
ATOM   452  C CG  . MET   A 1 52  ? -35.686 -11.423 -27.013 1.00 9.95  ? 58  MET   B CG  1 
ATOM   453  S SD  . MET   A 1 52  ? -36.168 -13.114 -27.473 1.00 11.73 ? 58  MET   B SD  1 
ATOM   454  C CE  . MET   A 1 52  ? -36.798 -13.763 -25.950 1.00 12.90 ? 58  MET   B CE  1 
ATOM   455  N N   . VAL   A 1 53  ? -32.876 -8.658  -29.008 1.00 9.76  ? 59  VAL   B N   1 
ATOM   456  C CA  . VAL   A 1 53  ? -31.901 -8.183  -30.004 1.00 10.04 ? 59  VAL   B CA  1 
ATOM   457  C C   . VAL   A 1 53  ? -30.609 -8.960  -29.781 1.00 10.63 ? 59  VAL   B C   1 
ATOM   458  O O   . VAL   A 1 53  ? -30.321 -9.375  -28.632 1.00 10.93 ? 59  VAL   B O   1 
ATOM   459  C CB  . VAL   A 1 53  ? -31.701 -6.653  -29.952 1.00 10.41 ? 59  VAL   B CB  1 
ATOM   460  C CG1 . VAL   A 1 53  ? -31.163 -6.172  -28.628 1.00 11.19 ? 59  VAL   B CG1 1 
ATOM   461  C CG2 . VAL   A 1 53  ? -30.824 -6.150  -31.103 1.00 11.10 ? 59  VAL   B CG2 1 
ATOM   462  N N   . LEU   A 1 54  ? -29.858 -9.166  -30.867 1.00 10.62 ? 60  LEU   B N   1 
ATOM   463  C CA  . LEU   A 1 54  ? -28.526 -9.810  -30.812 1.00 10.75 ? 60  LEU   B CA  1 
ATOM   464  C C   . LEU   A 1 54  ? -27.391 -8.818  -30.919 1.00 10.72 ? 60  LEU   B C   1 
ATOM   465  O O   . LEU   A 1 54  ? -27.500 -7.743  -31.605 1.00 11.83 ? 60  LEU   B O   1 
ATOM   466  C CB  . LEU   A 1 54  ? -28.353 -10.862 -31.899 1.00 11.72 ? 60  LEU   B CB  1 
ATOM   467  C CG  . LEU   A 1 54  ? -29.420 -11.926 -31.943 1.00 11.76 ? 60  LEU   B CG  1 
ATOM   468  C CD1 . LEU   A 1 54  ? -29.132 -13.016 -32.967 1.00 14.03 ? 60  LEU   B CD1 1 
ATOM   469  C CD2 . LEU   A 1 54  ? -29.609 -12.579 -30.589 1.00 11.88 ? 60  LEU   B CD2 1 
ATOM   470  N N   . GLY   A 1 55  ? -26.241 -9.138  -30.307 1.00 11.12 ? 61  GLY   B N   1 
ATOM   471  C CA  . GLY   A 1 55  ? -24.971 -8.473  -30.690 1.00 12.03 ? 61  GLY   B CA  1 
ATOM   472  C C   . GLY   A 1 55  ? -24.577 -8.779  -32.138 1.00 11.47 ? 61  GLY   B C   1 
ATOM   473  O O   . GLY   A 1 55  ? -24.907 -9.836  -32.649 1.00 12.58 ? 61  GLY   B O   1 
ATOM   474  N N   . ALA   A 1 56  ? -23.825 -7.887  -32.744 1.00 13.39 ? 62  ALA   B N   1 
ATOM   475  C CA  . ALA   A 1 56  ? -23.321 -8.061  -34.118 1.00 15.48 ? 62  ALA   B CA  1 
ATOM   476  C C   . ALA   A 1 56  ? -22.210 -9.109  -34.162 1.00 16.01 ? 62  ALA   B C   1 
ATOM   477  O O   . ALA   A 1 56  ? -22.047 -9.793  -35.210 1.00 19.34 ? 62  ALA   B O   1 
ATOM   478  C CB  . ALA   A 1 56  ? -22.834 -6.739  -34.611 1.00 16.92 ? 62  ALA   B CB  1 
ATOM   479  N N   . GLN   A 1 57  ? -21.484 -9.253  -33.064 1.00 14.62 ? 63  GLN   B N   1 
ATOM   480  C CA  . GLN   A 1 57  ? -20.278 -10.116 -33.054 1.00 15.07 ? 63  GLN   B CA  1 
ATOM   481  C C   . GLN   A 1 57  ? -20.735 -11.576 -33.077 1.00 15.93 ? 63  GLN   B C   1 
ATOM   482  O O   . GLN   A 1 57  ? -21.754 -11.954 -32.445 1.00 16.51 ? 63  GLN   B O   1 
ATOM   483  C CB  . GLN   A 1 57  ? -19.404 -9.774  -31.836 1.00 17.22 ? 63  GLN   B CB  1 
ATOM   484  C CG  . GLN   A 1 57  ? -18.720 -8.423  -31.911 1.00 19.05 ? 63  GLN   B CG  1 
ATOM   485  C CD  . GLN   A 1 57  ? -19.678 -7.249  -31.790 1.00 19.12 ? 63  GLN   B CD  1 
ATOM   486  O OE1 . GLN   A 1 57  ? -20.626 -7.302  -31.017 1.00 17.04 ? 63  GLN   B OE1 1 
ATOM   487  N NE2 . GLN   A 1 57  ? -19.451 -6.158  -32.488 1.00 20.88 ? 63  GLN   B NE2 1 
ATOM   488  N N   . ARG   A 1 58  ? -20.002 -12.433 -33.784 1.00 16.57 ? 64  ARG   B N   1 
ATOM   489  C CA  . ARG   A 1 58  ? -20.142 -13.891 -33.772 1.00 16.49 ? 64  ARG   B CA  1 
ATOM   490  C C   . ARG   A 1 58  ? -18.862 -14.517 -33.220 1.00 15.31 ? 64  ARG   B C   1 
ATOM   491  O O   . ARG   A 1 58  ? -17.751 -14.080 -33.588 1.00 18.27 ? 64  ARG   B O   1 
ATOM   492  C CB  . ARG   A 1 58  ? -20.299 -14.463 -35.194 1.00 21.33 ? 64  ARG   B CB  1 
ATOM   493  C CG  . ARG   A 1 58  ? -21.660 -14.297 -35.875 1.00 29.07 ? 64  ARG   B CG  1 
ATOM   494  C CD  . ARG   A 1 58  ? -22.156 -12.866 -35.877 1.00 31.89 ? 64  ARG   B CD  1 
ATOM   495  N NE  . ARG   A 1 58  ? -23.130 -12.300 -36.830 1.00 37.60 ? 64  ARG   B NE  1 
ATOM   496  C CZ  . ARG   A 1 58  ? -23.778 -12.919 -37.823 1.00 37.68 ? 64  ARG   B CZ  1 
ATOM   497  N NH1 . ARG   A 1 58  ? -24.632 -12.233 -38.569 1.00 43.88 ? 64  ARG   B NH1 1 
ATOM   498  N NH2 . ARG   A 1 58  ? -23.617 -14.198 -38.071 1.00 40.11 ? 64  ARG   B NH2 1 
ATOM   499  N N   . PHE   A 1 59  ? -18.990 -15.463 -32.333 1.00 14.06 ? 65  PHE   B N   1 
ATOM   500  C CA  . PHE   A 1 59  ? -17.830 -16.118 -31.684 1.00 15.20 ? 65  PHE   B CA  1 
ATOM   501  C C   . PHE   A 1 59  ? -17.900 -17.614 -31.966 1.00 13.75 ? 65  PHE   B C   1 
ATOM   502  O O   . PHE   A 1 59  ? -18.907 -18.261 -31.715 1.00 13.61 ? 65  PHE   B O   1 
ATOM   503  C CB  . PHE   A 1 59  ? -17.891 -15.840 -30.166 1.00 16.87 ? 65  PHE   B CB  1 
ATOM   504  C CG  . PHE   A 1 59  ? -17.899 -14.368 -29.796 1.00 18.19 ? 65  PHE   B CG  1 
ATOM   505  C CD1 . PHE   A 1 59  ? -16.877 -13.536 -30.250 1.00 20.64 ? 65  PHE   B CD1 1 
ATOM   506  C CD2 . PHE   A 1 59  ? -18.887 -13.814 -29.023 1.00 25.18 ? 65  PHE   B CD2 1 
ATOM   507  C CE1 . PHE   A 1 59  ? -16.825 -12.182 -29.943 1.00 22.84 ? 65  PHE   B CE1 1 
ATOM   508  C CE2 . PHE   A 1 59  ? -18.816 -12.461 -28.675 1.00 19.43 ? 65  PHE   B CE2 1 
ATOM   509  C CZ  . PHE   A 1 59  ? -17.831 -11.653 -29.185 1.00 20.52 ? 65  PHE   B CZ  1 
ATOM   510  N N   A SER   A 1 60  ? -16.790 -18.187 -32.452 0.25 13.87 ? 66  SER   B N   1 
ATOM   511  N N   B SER   A 1 60  ? -16.793 -18.184 -32.460 0.25 14.18 ? 66  SER   B N   1 
ATOM   512  C CA  A SER   A 1 60  ? -16.677 -19.643 -32.735 0.25 14.31 ? 66  SER   B CA  1 
ATOM   513  C CA  B SER   A 1 60  ? -16.663 -19.639 -32.736 0.25 14.86 ? 66  SER   B CA  1 
ATOM   514  C C   A SER   A 1 60  ? -15.450 -20.255 -32.030 0.25 13.80 ? 66  SER   B C   1 
ATOM   515  C C   B SER   A 1 60  ? -15.391 -20.207 -32.104 0.25 14.78 ? 66  SER   B C   1 
ATOM   516  O O   A SER   A 1 60  ? -15.295 -21.489 -32.095 0.25 13.42 ? 66  SER   B O   1 
ATOM   517  O O   B SER   A 1 60  ? -14.989 -21.302 -32.507 0.25 13.88 ? 66  SER   B O   1 
ATOM   518  C CB  A SER   A 1 60  ? -16.708 -19.891 -34.231 0.25 14.66 ? 66  SER   B CB  1 
ATOM   519  C CB  B SER   A 1 60  ? -16.654 -19.895 -34.204 0.25 15.06 ? 66  SER   B CB  1 
ATOM   520  O OG  A SER   A 1 60  ? -18.058 -19.806 -34.726 0.25 15.45 ? 66  SER   B OG  1 
ATOM   521  O OG  B SER   A 1 60  ? -15.575 -19.210 -34.791 0.25 15.68 ? 66  SER   B OG  1 
ATOM   522  N N   A SER   A 1 61  ? -14.650 -19.450 -31.323 0.25 13.72 ? 67  SER   B N   1 
ATOM   523  N N   B SER   A 1 61  ? -14.758 -19.479 -31.191 0.25 15.56 ? 67  SER   B N   1 
ATOM   524  C CA  A SER   A 1 61  ? -13.462 -19.923 -30.570 0.25 14.65 ? 67  SER   B CA  1 
ATOM   525  C CA  B SER   A 1 61  ? -13.503 -19.920 -30.547 0.25 16.93 ? 67  SER   B CA  1 
ATOM   526  C C   A SER   A 1 61  ? -13.146 -18.950 -29.438 0.25 15.57 ? 67  SER   B C   1 
ATOM   527  C C   B SER   A 1 61  ? -13.075 -18.906 -29.491 0.25 16.91 ? 67  SER   B C   1 
ATOM   528  O O   A SER   A 1 61  ? -13.733 -17.868 -29.436 0.25 15.62 ? 67  SER   B O   1 
ATOM   529  O O   B SER   A 1 61  ? -13.487 -17.735 -29.615 0.25 16.47 ? 67  SER   B O   1 
ATOM   530  C CB  A SER   A 1 61  ? -12.270 -20.043 -31.503 0.25 14.74 ? 67  SER   B CB  1 
ATOM   531  C CB  B SER   A 1 61  ? -12.434 -20.078 -31.603 0.25 18.65 ? 67  SER   B CB  1 
ATOM   532  O OG  A SER   A 1 61  ? -11.835 -18.763 -31.922 0.25 14.55 ? 67  SER   B OG  1 
ATOM   533  O OG  B SER   A 1 61  ? -11.189 -20.326 -30.986 0.25 21.54 ? 67  SER   B OG  1 
ATOM   534  N N   . GLY   A 1 62  ? -12.236 -19.338 -28.542 1.00 16.92 ? 68  GLY   B N   1 
ATOM   535  C CA  . GLY   A 1 62  ? -11.598 -18.408 -27.601 1.00 18.20 ? 68  GLY   B CA  1 
ATOM   536  C C   . GLY   A 1 62  ? -12.447 -18.083 -26.379 1.00 14.31 ? 68  GLY   B C   1 
ATOM   537  O O   . GLY   A 1 62  ? -13.464 -18.747 -26.101 1.00 15.95 ? 68  GLY   B O   1 
ATOM   538  N N   . LYS   A 1 63  ? -11.946 -17.096 -25.672 1.00 14.08 ? 69  LYS   B N   1 
ATOM   539  C CA  . LYS   A 1 63  ? -12.533 -16.611 -24.424 1.00 15.25 ? 69  LYS   B CA  1 
ATOM   540  C C   . LYS   A 1 63  ? -12.956 -15.170 -24.687 1.00 15.26 ? 69  LYS   B C   1 
ATOM   541  O O   . LYS   A 1 63  ? -12.160 -14.346 -25.175 1.00 16.62 ? 69  LYS   B O   1 
ATOM   542  C CB  . LYS   A 1 63  ? -11.517 -16.743 -23.297 1.00 16.52 ? 69  LYS   B CB  1 
ATOM   543  C CG  . LYS   A 1 63  ? -11.099 -18.164 -22.939 1.00 17.33 ? 69  LYS   B CG  1 
ATOM   544  C CD  . LYS   A 1 63  ? -9.938  -18.227 -21.896 1.00 20.50 ? 69  LYS   B CD  1 
ATOM   545  C CE  . LYS   A 1 63  ? -9.622  -19.636 -21.436 1.00 24.25 ? 69  LYS   B CE  1 
ATOM   546  N NZ  . LYS   A 1 63  ? -8.546  -19.642 -20.412 1.00 27.96 ? 69  LYS   B NZ  1 
ATOM   547  N N   . MET   A 1 64  ? -14.157 -14.812 -24.230 1.00 14.15 ? 70  MET   B N   1 
ATOM   548  C CA  . MET   A 1 64  ? -14.772 -13.486 -24.437 1.00 13.73 ? 70  MET   B CA  1 
ATOM   549  C C   . MET   A 1 64  ? -15.451 -13.035 -23.152 1.00 12.76 ? 70  MET   B C   1 
ATOM   550  O O   . MET   A 1 64  ? -16.021 -13.870 -22.451 1.00 13.28 ? 70  MET   B O   1 
ATOM   551  C CB  . MET   A 1 64  ? -15.896 -13.579 -25.449 1.00 14.43 ? 70  MET   B CB  1 
ATOM   552  C CG  . MET   A 1 64  ? -15.457 -13.740 -26.879 1.00 15.40 ? 70  MET   B CG  1 
ATOM   553  S SD  . MET   A 1 64  ? -14.710 -15.321 -27.426 1.00 17.44 ? 70  MET   B SD  1 
ATOM   554  C CE  . MET   A 1 64  ? -15.927 -16.540 -26.986 1.00 16.94 ? 70  MET   B CE  1 
ATOM   555  N N   . TYR   A 1 65  ? -15.426 -11.761 -22.853 1.00 13.08 ? 71  TYR   B N   1 
ATOM   556  C CA  . TYR   A 1 65  ? -16.027 -11.192 -21.622 1.00 13.57 ? 71  TYR   B CA  1 
ATOM   557  C C   . TYR   A 1 65  ? -16.631 -9.849  -21.995 1.00 13.98 ? 71  TYR   B C   1 
ATOM   558  O O   . TYR   A 1 65  ? -15.981 -9.022  -22.693 1.00 13.96 ? 71  TYR   B O   1 
ATOM   559  C CB  . TYR   A 1 65  ? -14.969 -11.018 -20.532 1.00 14.06 ? 71  TYR   B CB  1 
ATOM   560  C CG  . TYR   A 1 65  ? -15.497 -10.421 -19.259 1.00 13.32 ? 71  TYR   B CG  1 
ATOM   561  C CD1 . TYR   A 1 65  ? -16.211 -11.186 -18.350 1.00 13.31 ? 71  TYR   B CD1 1 
ATOM   562  C CD2 . TYR   A 1 65  ? -15.315 -9.070  -18.981 1.00 14.44 ? 71  TYR   B CD2 1 
ATOM   563  C CE1 . TYR   A 1 65  ? -16.745 -10.634 -17.193 1.00 14.17 ? 71  TYR   B CE1 1 
ATOM   564  C CE2 . TYR   A 1 65  ? -15.838 -8.505  -17.829 1.00 13.93 ? 71  TYR   B CE2 1 
ATOM   565  C CZ  . TYR   A 1 65  ? -16.541 -9.279  -16.939 1.00 13.58 ? 71  TYR   B CZ  1 
ATOM   566  O OH  . TYR   A 1 65  ? -17.029 -8.704  -15.804 1.00 15.66 ? 71  TYR   B OH  1 
ATOM   567  N N   . TRP   A 1 66  ? -17.833 -9.574  -21.512 1.00 11.83 ? 72  TRP   B N   1 
ATOM   568  C CA  . TRP   A 1 66  ? -18.431 -8.224  -21.612 1.00 11.72 ? 72  TRP   B CA  1 
ATOM   569  C C   . TRP   A 1 66  ? -19.332 -7.964  -20.399 1.00 11.73 ? 72  TRP   B C   1 
ATOM   570  O O   . TRP   A 1 66  ? -19.663 -8.898  -19.639 1.00 12.76 ? 72  TRP   B O   1 
ATOM   571  C CB  . TRP   A 1 66  ? -19.168 -8.016  -22.950 1.00 12.23 ? 72  TRP   B CB  1 
ATOM   572  C CG  . TRP   A 1 66  ? -20.342 -8.902  -23.200 1.00 11.83 ? 72  TRP   B CG  1 
ATOM   573  C CD1 . TRP   A 1 66  ? -21.676 -8.624  -22.977 1.00 11.66 ? 72  TRP   B CD1 1 
ATOM   574  C CD2 . TRP   A 1 66  ? -20.338 -10.216 -23.767 1.00 12.48 ? 72  TRP   B CD2 1 
ATOM   575  N NE1 . TRP   A 1 66  ? -22.467 -9.669  -23.377 1.00 11.74 ? 72  TRP   B NE1 1 
ATOM   576  C CE2 . TRP   A 1 66  ? -21.665 -10.681 -23.840 1.00 12.26 ? 72  TRP   B CE2 1 
ATOM   577  C CE3 . TRP   A 1 66  ? -19.305 -11.068 -24.176 1.00 14.18 ? 72  TRP   B CE3 1 
ATOM   578  C CZ2 . TRP   A 1 66  ? -21.999 -11.911 -24.358 1.00 12.51 ? 72  TRP   B CZ2 1 
ATOM   579  C CZ3 . TRP   A 1 66  ? -19.628 -12.299 -24.695 1.00 15.97 ? 72  TRP   B CZ3 1 
ATOM   580  C CH2 . TRP   A 1 66  ? -20.950 -12.723 -24.755 1.00 14.02 ? 72  TRP   B CH2 1 
ATOM   581  N N   . GLU   A 1 67  ? -19.731 -6.703  -20.202 1.00 11.58 ? 73  GLU   B N   1 
ATOM   582  C CA  . GLU   A 1 67  ? -20.572 -6.272  -19.059 1.00 11.19 ? 73  GLU   B CA  1 
ATOM   583  C C   . GLU   A 1 67  ? -21.790 -5.506  -19.538 1.00 10.83 ? 73  GLU   B C   1 
ATOM   584  O O   . GLU   A 1 67  ? -21.691 -4.768  -20.504 1.00 12.25 ? 73  GLU   B O   1 
ATOM   585  C CB  . GLU   A 1 67  ? -19.778 -5.421  -18.073 1.00 12.61 ? 73  GLU   B CB  1 
ATOM   586  C CG  . GLU   A 1 67  ? -18.707 -6.238  -17.359 1.00 15.01 ? 73  GLU   B CG  1 
ATOM   587  C CD  . GLU   A 1 67  ? -17.817 -5.483  -16.385 1.00 18.60 ? 73  GLU   B CD  1 
ATOM   588  O OE1 . GLU   A 1 67  ? -18.024 -4.229  -16.235 1.00 22.39 ? 73  GLU   B OE1 1 
ATOM   589  O OE2 . GLU   A 1 67  ? -16.958 -6.164  -15.689 1.00 17.82 ? 73  GLU   B OE2 1 
ATOM   590  N N   . VAL   A 1 68  ? -22.886 -5.712  -18.824 1.00 11.84 ? 74  VAL   B N   1 
ATOM   591  C CA  . VAL   A 1 68  ? -24.167 -5.074  -19.177 1.00 11.35 ? 74  VAL   B CA  1 
ATOM   592  C C   . VAL   A 1 68  ? -24.743 -4.393  -17.933 1.00 11.01 ? 74  VAL   B C   1 
ATOM   593  O O   . VAL   A 1 68  ? -24.838 -5.031  -16.867 1.00 12.03 ? 74  VAL   B O   1 
ATOM   594  C CB  . VAL   A 1 68  ? -25.171 -6.093  -19.737 1.00 11.40 ? 74  VAL   B CB  1 
ATOM   595  C CG1 . VAL   A 1 68  ? -26.425 -5.374  -20.192 1.00 12.53 ? 74  VAL   B CG1 1 
ATOM   596  C CG2 . VAL   A 1 68  ? -24.572 -6.946  -20.829 1.00 12.32 ? 74  VAL   B CG2 1 
ATOM   597  N N   . ASP   A 1 69  ? -25.190 -3.141  -18.096 1.00 11.70 ? 75  ASP   B N   1 
ATOM   598  C CA  . ASP   A 1 69  ? -25.872 -2.345  -17.043 1.00 13.07 ? 75  ASP   B CA  1 
ATOM   599  C C   . ASP   A 1 69  ? -27.358 -2.641  -17.084 1.00 11.52 ? 75  ASP   B C   1 
ATOM   600  O O   . ASP   A 1 69  ? -27.994 -2.537  -18.199 1.00 11.87 ? 75  ASP   B O   1 
ATOM   601  C CB  . ASP   A 1 69  ? -25.593 -0.852  -17.231 1.00 14.01 ? 75  ASP   B CB  1 
ATOM   602  C CG  . ASP   A 1 69  ? -25.977 -0.032  -16.000 1.00 17.19 ? 75  ASP   B CG  1 
ATOM   603  O OD1 . ASP   A 1 69  ? -27.137 -0.033  -15.636 1.00 16.09 ? 75  ASP   B OD1 1 
ATOM   604  O OD2 . ASP   A 1 69  ? -25.047 0.404   -15.275 1.00 22.28 ? 75  ASP   B OD2 1 
ATOM   605  N N   . VAL   A 1 70  ? -27.923 -3.066  -15.947 1.00 11.34 ? 76  VAL   B N   1 
ATOM   606  C CA  . VAL   A 1 70  ? -29.366 -3.397  -15.764 1.00 12.20 ? 76  VAL   B CA  1 
ATOM   607  C C   . VAL   A 1 70  ? -30.047 -2.481  -14.736 1.00 13.12 ? 76  VAL   B C   1 
ATOM   608  O O   . VAL   A 1 70  ? -31.105 -2.828  -14.227 1.00 13.17 ? 76  VAL   B O   1 
ATOM   609  C CB  . VAL   A 1 70  ? -29.514 -4.899  -15.422 1.00 11.93 ? 76  VAL   B CB  1 
ATOM   610  C CG1 . VAL   A 1 70  ? -28.952 -5.819  -16.550 1.00 11.64 ? 76  VAL   B CG1 1 
ATOM   611  C CG2 . VAL   A 1 70  ? -28.889 -5.294  -14.099 1.00 12.87 ? 76  VAL   B CG2 1 
ATOM   612  N N   . THR   A 1 71  ? -29.410 -1.377  -14.377 1.00 13.28 ? 77  THR   B N   1 
ATOM   613  C CA  . THR   A 1 71  ? -29.917 -0.440  -13.356 1.00 14.73 ? 77  THR   B CA  1 
ATOM   614  C C   . THR   A 1 71  ? -31.401 -0.146  -13.589 1.00 14.35 ? 77  THR   B C   1 
ATOM   615  O O   . THR   A 1 71  ? -31.830 0.202   -14.705 1.00 14.64 ? 77  THR   B O   1 
ATOM   616  C CB  . THR   A 1 71  ? -29.112 0.858   -13.387 1.00 15.22 ? 77  THR   B CB  1 
ATOM   617  O OG1 . THR   A 1 71  ? -27.740 0.581   -13.065 1.00 18.45 ? 77  THR   B OG1 1 
ATOM   618  C CG2 . THR   A 1 71  ? -29.722 1.841   -12.397 1.00 18.82 ? 77  THR   B CG2 1 
ATOM   619  N N   . GLN   A 1 72  ? -32.146 -0.272  -12.491 1.00 16.23 ? 78  GLN   B N   1 
ATOM   620  C CA  . GLN   A 1 72  ? -33.573 0.090   -12.306 1.00 18.96 ? 78  GLN   B CA  1 
ATOM   621  C C   . GLN   A 1 72  ? -34.526 -0.753  -13.145 1.00 19.03 ? 78  GLN   B C   1 
ATOM   622  O O   . GLN   A 1 72  ? -35.728 -0.444  -13.178 1.00 23.13 ? 78  GLN   B O   1 
ATOM   623  C CB  . GLN   A 1 72  ? -33.804 1.583   -12.511 1.00 26.00 ? 78  GLN   B CB  1 
ATOM   624  C CG  . GLN   A 1 72  ? -33.605 2.130   -13.909 1.00 33.57 ? 78  GLN   B CG  1 
ATOM   625  C CD  . GLN   A 1 72  ? -34.469 3.348   -14.180 1.00 39.65 ? 78  GLN   B CD  1 
ATOM   626  O OE1 . GLN   A 1 72  ? -33.995 4.376   -14.671 1.00 45.92 ? 78  GLN   B OE1 1 
ATOM   627  N NE2 . GLN   A 1 72  ? -35.769 3.199   -13.965 1.00 43.95 ? 78  GLN   B NE2 1 
ATOM   628  N N   . LYS   A 1 73  ? -34.088 -1.810  -13.809 1.00 13.55 ? 79  LYS   B N   1 
ATOM   629  C CA  . LYS   A 1 73  ? -35.026 -2.665  -14.540 1.00 12.22 ? 79  LYS   B CA  1 
ATOM   630  C C   . LYS   A 1 73  ? -35.716 -3.670  -13.629 1.00 11.70 ? 79  LYS   B C   1 
ATOM   631  O O   . LYS   A 1 73  ? -35.072 -4.202  -12.666 1.00 13.87 ? 79  LYS   B O   1 
ATOM   632  C CB  . LYS   A 1 73  ? -34.287 -3.352  -15.685 1.00 12.64 ? 79  LYS   B CB  1 
ATOM   633  C CG  . LYS   A 1 73  ? -33.847 -2.373  -16.791 1.00 12.85 ? 79  LYS   B CG  1 
ATOM   634  C CD  . LYS   A 1 73  ? -33.369 -3.005  -18.075 1.00 13.93 ? 79  LYS   B CD  1 
ATOM   635  C CE  . LYS   A 1 73  ? -34.446 -3.759  -18.803 1.00 12.55 ? 79  LYS   B CE  1 
ATOM   636  N NZ  . LYS   A 1 73  ? -35.617 -2.888  -19.162 1.00 11.38 ? 79  LYS   B NZ  1 
ATOM   637  N N   . GLU   A 1 74  ? -36.945 -3.999  -13.961 1.00 10.61 ? 80  GLU   B N   1 
ATOM   638  C CA  . GLU   A 1 74  ? -37.730 -5.019  -13.240 1.00 11.03 ? 80  GLU   B CA  1 
ATOM   639  C C   . GLU   A 1 74  ? -37.685 -6.379  -13.942 1.00 11.00 ? 80  GLU   B C   1 
ATOM   640  O O   . GLU   A 1 74  ? -38.046 -7.397  -13.349 1.00 11.86 ? 80  GLU   B O   1 
ATOM   641  C CB  . GLU   A 1 74  ? -39.214 -4.611  -13.190 1.00 12.23 ? 80  GLU   B CB  1 
ATOM   642  C CG  . GLU   A 1 74  ? -39.509 -3.359  -12.402 1.00 13.66 ? 80  GLU   B CG  1 
ATOM   643  C CD  . GLU   A 1 74  ? -40.965 -2.910  -12.544 1.00 13.87 ? 80  GLU   B CD  1 
ATOM   644  O OE1 . GLU   A 1 74  ? -41.380 -2.058  -11.720 1.00 17.14 ? 80  GLU   B OE1 1 
ATOM   645  O OE2 . GLU   A 1 74  ? -41.679 -3.432  -13.420 1.00 15.46 ? 80  GLU   B OE2 1 
ATOM   646  N N   . ALA   A 1 75  ? -37.319 -6.431  -15.225 1.00 10.49 ? 81  ALA   B N   1 
ATOM   647  C CA  . ALA   A 1 75  ? -37.347 -7.680  -15.993 1.00 9.94  ? 81  ALA   B CA  1 
ATOM   648  C C   . ALA   A 1 75  ? -36.361 -7.560  -17.157 1.00 10.96 ? 81  ALA   B C   1 
ATOM   649  O O   . ALA   A 1 75  ? -36.328 -6.499  -17.837 1.00 10.57 ? 81  ALA   B O   1 
ATOM   650  C CB  . ALA   A 1 75  ? -38.729 -8.005  -16.479 1.00 11.38 ? 81  ALA   B CB  1 
ATOM   651  N N   . TRP   A 1 76  ? -35.614 -8.629  -17.452 1.00 9.88  ? 82  TRP   B N   1 
ATOM   652  C CA  . TRP   A 1 76  ? -34.632 -8.696  -18.559 1.00 9.99  ? 82  TRP   B CA  1 
ATOM   653  C C   . TRP   A 1 76  ? -34.142 -10.121 -18.647 1.00 10.13 ? 82  TRP   B C   1 
ATOM   654  O O   . TRP   A 1 76  ? -34.216 -10.862 -17.653 1.00 10.03 ? 82  TRP   B O   1 
ATOM   655  C CB  . TRP   A 1 76  ? -33.474 -7.717  -18.344 1.00 10.77 ? 82  TRP   B CB  1 
ATOM   656  C CG  . TRP   A 1 76  ? -32.783 -7.748  -17.022 1.00 10.10 ? 82  TRP   B CG  1 
ATOM   657  C CD1 . TRP   A 1 76  ? -33.010 -6.917  -15.963 1.00 10.81 ? 82  TRP   B CD1 1 
ATOM   658  C CD2 . TRP   A 1 76  ? -31.840 -8.712  -16.481 1.00 10.78 ? 82  TRP   B CD2 1 
ATOM   659  N NE1 . TRP   A 1 76  ? -32.238 -7.210  -14.890 1.00 10.91 ? 82  TRP   B NE1 1 
ATOM   660  C CE2 . TRP   A 1 76  ? -31.517 -8.347  -15.173 1.00 11.32 ? 82  TRP   B CE2 1 
ATOM   661  C CE3 . TRP   A 1 76  ? -31.199 -9.856  -17.026 1.00 11.13 ? 82  TRP   B CE3 1 
ATOM   662  C CZ2 . TRP   A 1 76  ? -30.600 -9.011  -14.375 1.00 10.98 ? 82  TRP   B CZ2 1 
ATOM   663  C CZ3 . TRP   A 1 76  ? -30.319 -10.563 -16.233 1.00 11.16 ? 82  TRP   B CZ3 1 
ATOM   664  C CH2 . TRP   A 1 76  ? -30.022 -10.128 -14.925 1.00 11.33 ? 82  TRP   B CH2 1 
ATOM   665  N N   . ASP   A 1 77  ? -33.611 -10.467 -19.804 1.00 9.99  ? 83  ASP   B N   1 
ATOM   666  C CA  . ASP   A 1 77  ? -32.850 -11.731 -20.027 1.00 10.27 ? 83  ASP   B CA  1 
ATOM   667  C C   . ASP   A 1 77  ? -31.481 -11.340 -20.612 1.00 9.84  ? 83  ASP   B C   1 
ATOM   668  O O   . ASP   A 1 77  ? -31.434 -10.433 -21.465 1.00 9.91  ? 83  ASP   B O   1 
ATOM   669  C CB  . ASP   A 1 77  ? -33.530 -12.676 -21.010 1.00 11.07 ? 83  ASP   B CB  1 
ATOM   670  C CG  . ASP   A 1 77  ? -35.002 -12.915 -20.826 1.00 12.70 ? 83  ASP   B CG  1 
ATOM   671  O OD1 . ASP   A 1 77  ? -35.420 -12.947 -19.671 1.00 14.43 ? 83  ASP   B OD1 1 
ATOM   672  O OD2 . ASP   A 1 77  ? -35.713 -13.086 -21.845 1.00 13.84 ? 83  ASP   B OD2 1 
ATOM   673  N N   . LEU   A 1 78  ? -30.396 -12.019 -20.240 1.00 9.13  ? 84  LEU   B N   1 
ATOM   674  C CA  . LEU   A 1 78  ? -29.054 -11.764 -20.781 1.00 9.21  ? 84  LEU   B CA  1 
ATOM   675  C C   . LEU   A 1 78  ? -28.340 -13.094 -20.958 1.00 9.08  ? 84  LEU   B C   1 
ATOM   676  O O   . LEU   A 1 78  ? -28.462 -14.006 -20.125 1.00 9.24  ? 84  LEU   B O   1 
ATOM   677  C CB  . LEU   A 1 78  ? -28.243 -10.912 -19.820 1.00 9.54  ? 84  LEU   B CB  1 
ATOM   678  C CG  . LEU   A 1 78  ? -28.581 -9.437  -19.690 1.00 11.25 ? 84  LEU   B CG  1 
ATOM   679  C CD1 . LEU   A 1 78  ? -27.744 -8.817  -18.563 1.00 11.72 ? 84  LEU   B CD1 1 
ATOM   680  C CD2 . LEU   A 1 78  ? -28.380 -8.710  -20.994 1.00 11.50 ? 84  LEU   B CD2 1 
ATOM   681  N N   . GLY   A 1 79  ? -27.493 -13.135 -21.965 1.00 8.66  ? 85  GLY   B N   1 
ATOM   682  C CA  . GLY   A 1 79  ? -26.529 -14.245 -22.103 1.00 10.01 ? 85  GLY   B CA  1 
ATOM   683  C C   . GLY   A 1 79  ? -25.985 -14.315 -23.520 1.00 8.74  ? 85  GLY   B C   1 
ATOM   684  O O   . GLY   A 1 79  ? -25.603 -13.305 -24.111 1.00 9.09  ? 85  GLY   B O   1 
ATOM   685  N N   A VAL   A 1 80  ? -25.919 -15.543 -24.043 0.25 8.78  ? 86  VAL   B N   1 
ATOM   686  N N   B VAL   A 1 80  ? -25.993 -15.514 -24.080 0.25 9.42  ? 86  VAL   B N   1 
ATOM   687  C CA  A VAL   A 1 80  ? -25.534 -15.846 -25.451 0.25 8.83  ? 86  VAL   B CA  1 
ATOM   688  C CA  B VAL   A 1 80  ? -25.444 -15.782 -25.433 0.25 9.93  ? 86  VAL   B CA  1 
ATOM   689  C C   A VAL   A 1 80  ? -26.537 -16.816 -26.063 0.25 9.17  ? 86  VAL   B C   1 
ATOM   690  C C   B VAL   A 1 80  ? -26.345 -16.863 -26.053 0.25 9.93  ? 86  VAL   B C   1 
ATOM   691  O O   A VAL   A 1 80  ? -27.277 -17.535 -25.357 0.25 9.50  ? 86  VAL   B O   1 
ATOM   692  O O   B VAL   A 1 80  ? -26.925 -17.643 -25.293 0.25 10.56 ? 86  VAL   B O   1 
ATOM   693  C CB  A VAL   A 1 80  ? -24.127 -16.451 -25.597 0.25 8.87  ? 86  VAL   B CB  1 
ATOM   694  C CB  B VAL   A 1 80  ? -23.954 -16.160 -25.299 0.25 11.06 ? 86  VAL   B CB  1 
ATOM   695  C CG1 A VAL   A 1 80  ? -23.086 -15.418 -25.229 0.25 8.48  ? 86  VAL   B CG1 1 
ATOM   696  C CG1 B VAL   A 1 80  ? -23.773 -17.510 -24.625 0.25 10.86 ? 86  VAL   B CG1 1 
ATOM   697  C CG2 A VAL   A 1 80  ? -23.953 -17.711 -24.765 0.25 8.79  ? 86  VAL   B CG2 1 
ATOM   698  C CG2 B VAL   A 1 80  ? -23.204 -16.090 -26.616 0.25 11.68 ? 86  VAL   B CG2 1 
ATOM   699  N N   . CYS   A 1 81  ? -26.507 -16.871 -27.378 1.00 9.73  ? 87  CYS   B N   1 
ATOM   700  C CA  . CYS   A 1 81  ? -27.326 -17.852 -28.079 1.00 10.55 ? 87  CYS   B CA  1 
ATOM   701  C C   . CYS   A 1 81  ? -26.643 -18.266 -29.371 1.00 10.37 ? 87  CYS   B C   1 
ATOM   702  O O   . CYS   A 1 81  ? -25.766 -17.535 -29.914 1.00 10.64 ? 87  CYS   B O   1 
ATOM   703  C CB  . CYS   A 1 81  ? -28.726 -17.314 -28.361 1.00 11.57 ? 87  CYS   B CB  1 
ATOM   704  S SG  . CYS   A 1 81  ? -28.812 -15.908 -29.493 1.00 12.26 ? 87  CYS   B SG  1 
ATOM   705  N N   A ARG   A 1 82  ? -27.085 -19.385 -29.901 0.25 10.72 ? 88  ARG   B N   1 
ATOM   706  N N   B ARG   A 1 82  ? -27.072 -19.399 -29.898 0.25 10.51 ? 88  ARG   B N   1 
ATOM   707  C CA  A ARG   A 1 82  ? -26.664 -19.792 -31.263 0.25 11.38 ? 88  ARG   B CA  1 
ATOM   708  C CA  B ARG   A 1 82  ? -26.618 -19.872 -31.236 0.25 10.97 ? 88  ARG   B CA  1 
ATOM   709  C C   A ARG   A 1 82  ? -27.076 -18.741 -32.293 0.25 10.98 ? 88  ARG   B C   1 
ATOM   710  C C   B ARG   A 1 82  ? -27.127 -18.908 -32.333 0.25 10.86 ? 88  ARG   B C   1 
ATOM   711  O O   A ARG   A 1 82  ? -28.123 -18.111 -32.173 0.25 11.21 ? 88  ARG   B O   1 
ATOM   712  O O   B ARG   A 1 82  ? -28.316 -18.489 -32.274 0.25 10.93 ? 88  ARG   B O   1 
ATOM   713  C CB  A ARG   A 1 82  ? -27.327 -21.108 -31.645 0.25 12.28 ? 88  ARG   B CB  1 
ATOM   714  C CB  B ARG   A 1 82  ? -27.119 -21.308 -31.445 0.25 11.63 ? 88  ARG   B CB  1 
ATOM   715  C CG  A ARG   A 1 82  ? -26.912 -22.220 -30.709 0.25 12.79 ? 88  ARG   B CG  1 
ATOM   716  C CG  B ARG   A 1 82  ? -26.455 -22.037 -32.605 0.25 11.77 ? 88  ARG   B CG  1 
ATOM   717  C CD  A ARG   A 1 82  ? -27.460 -23.547 -31.160 0.25 13.84 ? 88  ARG   B CD  1 
ATOM   718  C CD  B ARG   A 1 82  ? -27.033 -23.416 -32.850 0.25 11.98 ? 88  ARG   B CD  1 
ATOM   719  N NE  A ARG   A 1 82  ? -27.068 -24.616 -30.252 0.25 13.64 ? 88  ARG   B NE  1 
ATOM   720  N NE  B ARG   A 1 82  ? -26.873 -24.225 -31.663 0.25 12.25 ? 88  ARG   B NE  1 
ATOM   721  C CZ  A ARG   A 1 82  ? -27.874 -25.598 -29.917 0.25 13.56 ? 88  ARG   B CZ  1 
ATOM   722  C CZ  B ARG   A 1 82  ? -27.865 -24.820 -30.992 0.25 11.84 ? 88  ARG   B CZ  1 
ATOM   723  N NH1 A ARG   A 1 82  ? -29.098 -25.628 -30.409 0.25 13.79 ? 88  ARG   B NH1 1 
ATOM   724  N NH1 B ARG   A 1 82  ? -29.100 -24.763 -31.432 0.25 13.37 ? 88  ARG   B NH1 1 
ATOM   725  N NH2 A ARG   A 1 82  ? -27.447 -26.538 -29.101 0.25 14.71 ? 88  ARG   B NH2 1 
ATOM   726  N NH2 B ARG   A 1 82  ? -27.606 -25.492 -29.884 0.25 11.51 ? 88  ARG   B NH2 1 
ATOM   727  N N   . ASP   A 1 83  ? -26.296 -18.616 -33.352 1.00 12.12 ? 89  ASP   B N   1 
ATOM   728  C CA  . ASP   A 1 83  ? -26.706 -17.720 -34.448 1.00 13.06 ? 89  ASP   B CA  1 
ATOM   729  C C   . ASP   A 1 83  ? -27.994 -18.244 -35.074 1.00 15.38 ? 89  ASP   B C   1 
ATOM   730  O O   . ASP   A 1 83  ? -28.733 -17.393 -35.647 1.00 18.13 ? 89  ASP   B O   1 
ATOM   731  C CB  . ASP   A 1 83  ? -25.574 -17.620 -35.468 1.00 15.60 ? 89  ASP   B CB  1 
ATOM   732  C CG  . ASP   A 1 83  ? -25.191 -18.892 -36.160 1.00 18.53 ? 89  ASP   B CG  1 
ATOM   733  O OD1 . ASP   A 1 83  ? -25.668 -19.993 -35.762 1.00 23.37 ? 89  ASP   B OD1 1 
ATOM   734  O OD2 . ASP   A 1 83  ? -24.367 -18.764 -37.113 1.00 22.85 ? 89  ASP   B OD2 1 
ATOM   735  N N   . SER   A 1 84  ? -28.287 -19.537 -35.021 1.00 13.25 ? 90  SER   B N   1 
ATOM   736  C CA  . SER   A 1 84  ? -29.444 -20.126 -35.734 1.00 15.22 ? 90  SER   B CA  1 
ATOM   737  C C   . SER   A 1 84  ? -30.706 -20.268 -34.861 1.00 14.04 ? 90  SER   B C   1 
ATOM   738  O O   . SER   A 1 84  ? -31.622 -20.972 -35.246 1.00 15.47 ? 90  SER   B O   1 
ATOM   739  C CB  . SER   A 1 84  ? -29.009 -21.457 -36.296 1.00 16.49 ? 90  SER   B CB  1 
ATOM   740  O OG  . SER   A 1 84  ? -28.556 -22.289 -35.324 1.00 17.96 ? 90  SER   B OG  1 
ATOM   741  N N   . VAL   A 1 85  ? -30.783 -19.603 -33.712 1.00 12.60 ? 91  VAL   B N   1 
ATOM   742  C CA  . VAL   A 1 85  ? -32.012 -19.676 -32.896 1.00 12.84 ? 91  VAL   B CA  1 
ATOM   743  C C   . VAL   A 1 85  ? -33.208 -19.179 -33.719 1.00 12.11 ? 91  VAL   B C   1 
ATOM   744  O O   . VAL   A 1 85  ? -33.102 -18.244 -34.524 1.00 13.26 ? 91  VAL   B O   1 
ATOM   745  C CB  . VAL   A 1 85  ? -31.927 -18.948 -31.531 1.00 12.44 ? 91  VAL   B CB  1 
ATOM   746  C CG1 . VAL   A 1 85  ? -30.902 -19.621 -30.648 1.00 11.95 ? 91  VAL   B CG1 1 
ATOM   747  C CG2 . VAL   A 1 85  ? -31.715 -17.466 -31.650 1.00 12.59 ? 91  VAL   B CG2 1 
ATOM   748  N N   . GLN   A 1 86  ? -34.334 -19.767 -33.387 1.00 13.92 ? 92  GLN   B N   1 
ATOM   749  C CA  . GLN   A 1 86  ? -35.682 -19.364 -33.881 1.00 14.95 ? 92  GLN   B CA  1 
ATOM   750  C C   . GLN   A 1 86  ? -35.905 -17.884 -33.578 1.00 13.94 ? 92  GLN   B C   1 
ATOM   751  O O   . GLN   A 1 86  ? -35.645 -17.454 -32.476 1.00 14.74 ? 92  GLN   B O   1 
ATOM   752  C CB  . GLN   A 1 86  ? -36.712 -20.250 -33.173 1.00 17.48 ? 92  GLN   B CB  1 
ATOM   753  C CG  . GLN   A 1 86  ? -38.192 -19.930 -33.409 1.00 20.18 ? 92  GLN   B CG  1 
ATOM   754  C CD  . GLN   A 1 86  ? -39.100 -20.760 -32.504 1.00 23.97 ? 92  GLN   B CD  1 
ATOM   755  O OE1 . GLN   A 1 86  ? -38.681 -21.741 -31.847 1.00 25.01 ? 92  GLN   B OE1 1 
ATOM   756  N NE2 . GLN   A 1 86  ? -40.387 -20.387 -32.420 1.00 25.83 ? 92  GLN   B NE2 1 
ATOM   757  N N   . ARG   A 1 87  ? -36.443 -17.147 -34.548 1.00 13.38 ? 93  ARG   B N   1 
ATOM   758  C CA  . ARG   A 1 87  ? -36.726 -15.687 -34.431 1.00 12.65 ? 93  ARG   B CA  1 
ATOM   759  C C   . ARG   A 1 87  ? -38.228 -15.465 -34.292 1.00 13.77 ? 93  ARG   B C   1 
ATOM   760  O O   . ARG   A 1 87  ? -38.599 -14.458 -33.677 1.00 13.69 ? 93  ARG   B O   1 
ATOM   761  C CB  . ARG   A 1 87  ? -36.189 -14.877 -35.595 1.00 14.19 ? 93  ARG   B CB  1 
ATOM   762  C CG  . ARG   A 1 87  ? -34.713 -15.074 -35.887 1.00 13.53 ? 93  ARG   B CG  1 
ATOM   763  C CD  . ARG   A 1 87  ? -33.805 -14.854 -34.659 1.00 14.27 ? 93  ARG   B CD  1 
ATOM   764  N NE  . ARG   A 1 87  ? -32.423 -15.298 -34.958 1.00 15.11 ? 93  ARG   B NE  1 
ATOM   765  C CZ  . ARG   A 1 87  ? -31.497 -14.576 -35.572 1.00 14.85 ? 93  ARG   B CZ  1 
ATOM   766  N NH1 . ARG   A 1 87  ? -31.766 -13.363 -35.985 1.00 17.08 ? 93  ARG   B NH1 1 
ATOM   767  N NH2 . ARG   A 1 87  ? -30.324 -15.089 -35.870 1.00 18.35 ? 93  ARG   B NH2 1 
ATOM   768  N N   . LYS   A 1 88  ? -39.064 -16.325 -34.876 1.00 13.33 ? 94  LYS   B N   1 
ATOM   769  C CA  . LYS   A 1 88  ? -40.517 -16.042 -35.025 1.00 13.98 ? 94  LYS   B CA  1 
ATOM   770  C C   . LYS   A 1 88  ? -41.323 -16.931 -34.106 1.00 15.27 ? 94  LYS   B C   1 
ATOM   771  O O   . LYS   A 1 88  ? -40.974 -18.139 -33.977 1.00 17.89 ? 94  LYS   B O   1 
ATOM   772  C CB  . LYS   A 1 88  ? -40.949 -16.203 -36.489 1.00 15.12 ? 94  LYS   B CB  1 
ATOM   773  C CG  . LYS   A 1 88  ? -40.108 -15.469 -37.511 1.00 16.02 ? 94  LYS   B CG  1 
ATOM   774  C CD  . LYS   A 1 88  ? -40.027 -13.952 -37.291 1.00 17.73 ? 94  LYS   B CD  1 
ATOM   775  C CE  . LYS   A 1 88  ? -39.232 -13.279 -38.366 1.00 17.51 ? 94  LYS   B CE  1 
ATOM   776  N NZ  . LYS   A 1 88  ? -39.171 -11.809 -38.177 1.00 18.89 ? 94  LYS   B NZ  1 
ATOM   777  N N   . GLY   A 1 89  ? -42.397 -16.429 -33.536 1.00 15.62 ? 95  GLY   B N   1 
ATOM   778  C CA  . GLY   A 1 89  ? -43.278 -17.246 -32.720 1.00 16.27 ? 95  GLY   B CA  1 
ATOM   779  C C   . GLY   A 1 89  ? -42.808 -17.397 -31.298 1.00 18.15 ? 95  GLY   B C   1 
ATOM   780  O O   . GLY   A 1 89  ? -41.831 -16.665 -30.885 1.00 17.62 ? 95  GLY   B O   1 
ATOM   781  N N   . GLN   A 1 90  ? -43.442 -18.297 -30.569 1.00 18.55 ? 96  GLN   B N   1 
ATOM   782  C CA  . GLN   A 1 90  ? -43.196 -18.516 -29.146 1.00 19.44 ? 96  GLN   B CA  1 
ATOM   783  C C   . GLN   A 1 90  ? -42.136 -19.589 -28.967 1.00 18.71 ? 96  GLN   B C   1 
ATOM   784  O O   . GLN   A 1 90  ? -42.009 -20.504 -29.808 1.00 18.91 ? 96  GLN   B O   1 
ATOM   785  C CB  . GLN   A 1 90  ? -44.493 -18.937 -28.438 1.00 23.59 ? 96  GLN   B CB  1 
ATOM   786  C CG  . GLN   A 1 90  ? -45.611 -17.930 -28.648 1.00 28.00 ? 96  GLN   B CG  1 
ATOM   787  C CD  . GLN   A 1 90  ? -46.953 -18.495 -28.277 1.00 39.62 ? 96  GLN   B CD  1 
ATOM   788  O OE1 . GLN   A 1 90  ? -47.165 -18.915 -27.138 1.00 50.97 ? 96  GLN   B OE1 1 
ATOM   789  N NE2 . GLN   A 1 90  ? -47.858 -18.534 -29.247 1.00 41.47 ? 96  GLN   B NE2 1 
ATOM   790  N N   . PHE   A 1 91  ? -41.295 -19.392 -27.968 1.00 15.60 ? 97  PHE   B N   1 
ATOM   791  C CA  . PHE   A 1 91  ? -40.272 -20.370 -27.555 1.00 15.68 ? 97  PHE   B CA  1 
ATOM   792  C C   . PHE   A 1 91  ? -39.797 -20.084 -26.149 1.00 15.28 ? 97  PHE   B C   1 
ATOM   793  O O   . PHE   A 1 91  ? -39.998 -18.986 -25.596 1.00 17.59 ? 97  PHE   B O   1 
ATOM   794  C CB  . PHE   A 1 91  ? -39.060 -20.341 -28.478 1.00 15.24 ? 97  PHE   B CB  1 
ATOM   795  C CG  . PHE   A 1 91  ? -38.429 -18.976 -28.639 1.00 14.43 ? 97  PHE   B CG  1 
ATOM   796  C CD1 . PHE   A 1 91  ? -37.430 -18.565 -27.760 1.00 14.66 ? 97  PHE   B CD1 1 
ATOM   797  C CD2 . PHE   A 1 91  ? -38.798 -18.105 -29.640 1.00 13.97 ? 97  PHE   B CD2 1 
ATOM   798  C CE1 . PHE   A 1 91  ? -36.814 -17.330 -27.905 1.00 13.23 ? 97  PHE   B CE1 1 
ATOM   799  C CE2 . PHE   A 1 91  ? -38.179 -16.873 -29.796 1.00 13.78 ? 97  PHE   B CE2 1 
ATOM   800  C CZ  . PHE   A 1 91  ? -37.184 -16.490 -28.929 1.00 14.00 ? 97  PHE   B CZ  1 
ATOM   801  N N   A SER   A 1 92  ? -39.240 -21.105 -25.502 0.34 15.74 ? 98  SER   B N   1 
ATOM   802  N N   B SER   A 1 92  ? -39.181 -21.110 -25.560 0.34 15.69 ? 98  SER   B N   1 
ATOM   803  C CA  A SER   A 1 92  ? -38.592 -20.947 -24.182 0.34 15.45 ? 98  SER   B CA  1 
ATOM   804  C CA  B SER   A 1 92  ? -38.571 -21.076 -24.210 0.34 15.20 ? 98  SER   B CA  1 
ATOM   805  C C   A SER   A 1 92  ? -37.086 -20.751 -24.367 0.34 14.29 ? 98  SER   B C   1 
ATOM   806  C C   B SER   A 1 92  ? -37.055 -20.866 -24.312 0.34 14.11 ? 98  SER   B C   1 
ATOM   807  O O   A SER   A 1 92  ? -36.503 -21.173 -25.411 0.34 14.30 ? 98  SER   B O   1 
ATOM   808  O O   B SER   A 1 92  ? -36.421 -21.421 -25.232 0.34 13.81 ? 98  SER   B O   1 
ATOM   809  C CB  A SER   A 1 92  ? -38.861 -22.101 -23.266 0.34 18.23 ? 98  SER   B CB  1 
ATOM   810  C CB  B SER   A 1 92  ? -38.894 -22.334 -23.439 0.34 17.77 ? 98  SER   B CB  1 
ATOM   811  O OG  A SER   A 1 92  ? -38.520 -23.298 -23.925 0.34 19.72 ? 98  SER   B OG  1 
ATOM   812  O OG  B SER   A 1 92  ? -40.256 -22.307 -23.037 0.34 19.01 ? 98  SER   B OG  1 
ATOM   813  N N   . LEU   A 1 93  ? -36.487 -20.115 -23.364 1.00 13.77 ? 99  LEU   B N   1 
ATOM   814  C CA  . LEU   A 1 93  ? -35.027 -19.955 -23.270 1.00 14.07 ? 99  LEU   B CA  1 
ATOM   815  C C   . LEU   A 1 93  ? -34.451 -21.173 -22.580 1.00 14.61 ? 99  LEU   B C   1 
ATOM   816  O O   . LEU   A 1 93  ? -34.573 -21.347 -21.379 1.00 16.66 ? 99  LEU   B O   1 
ATOM   817  C CB  . LEU   A 1 93  ? -34.676 -18.700 -22.479 1.00 14.31 ? 99  LEU   B CB  1 
ATOM   818  C CG  . LEU   A 1 93  ? -35.170 -17.394 -23.087 1.00 14.99 ? 99  LEU   B CG  1 
ATOM   819  C CD1 . LEU   A 1 93  ? -34.823 -16.222 -22.172 1.00 15.79 ? 99  LEU   B CD1 1 
ATOM   820  C CD2 . LEU   A 1 93  ? -34.607 -17.146 -24.465 1.00 16.57 ? 99  LEU   B CD2 1 
ATOM   821  N N   . SER   A 1 94  ? -33.730 -22.017 -23.328 1.00 13.26 ? 100 SER   B N   1 
ATOM   822  C CA  . SER   A 1 94  ? -33.102 -23.231 -22.774 1.00 14.15 ? 100 SER   B CA  1 
ATOM   823  C C   . SER   A 1 94  ? -31.920 -23.579 -23.659 1.00 11.94 ? 100 SER   B C   1 
ATOM   824  O O   . SER   A 1 94  ? -31.905 -23.235 -24.826 1.00 12.21 ? 100 SER   B O   1 
ATOM   825  C CB  . SER   A 1 94  ? -34.047 -24.419 -22.757 1.00 15.93 ? 100 SER   B CB  1 
ATOM   826  O OG  . SER   A 1 94  ? -34.389 -24.794 -24.089 1.00 18.53 ? 100 SER   B OG  1 
ATOM   827  N N   . PRO   A 1 95  ? -30.965 -24.334 -23.131 1.00 12.21 ? 101 PRO   B N   1 
ATOM   828  C CA  . PRO   A 1 95  ? -29.869 -24.824 -23.963 1.00 12.53 ? 101 PRO   B CA  1 
ATOM   829  C C   . PRO   A 1 95  ? -30.363 -25.710 -25.104 1.00 13.28 ? 101 PRO   B C   1 
ATOM   830  O O   . PRO   A 1 95  ? -29.773 -25.596 -26.193 1.00 13.32 ? 101 PRO   B O   1 
ATOM   831  C CB  . PRO   A 1 95  ? -28.958 -25.592 -22.961 1.00 13.89 ? 101 PRO   B CB  1 
ATOM   832  C CG  . PRO   A 1 95  ? -29.254 -24.871 -21.626 1.00 14.57 ? 101 PRO   B CG  1 
ATOM   833  C CD  . PRO   A 1 95  ? -30.738 -24.606 -21.710 1.00 14.35 ? 101 PRO   B CD  1 
ATOM   834  N N   . GLU   A 1 96  ? -31.449 -26.452 -24.906 1.00 14.22 ? 102 GLU   B N   1 
ATOM   835  C CA  . GLU   A 1 96  ? -31.993 -27.294 -26.017 1.00 16.30 ? 102 GLU   B CA  1 
ATOM   836  C C   . GLU   A 1 96  ? -32.403 -26.418 -27.207 1.00 15.94 ? 102 GLU   B C   1 
ATOM   837  O O   . GLU   A 1 96  ? -32.334 -26.857 -28.367 1.00 18.30 ? 102 GLU   B O   1 
ATOM   838  C CB  . GLU   A 1 96  ? -33.159 -28.120 -25.490 1.00 21.11 ? 102 GLU   B CB  1 
ATOM   839  C CG  . GLU   A 1 96  ? -32.773 -28.941 -24.273 1.00 31.11 ? 102 GLU   B CG  1 
ATOM   840  C CD  . GLU   A 1 96  ? -33.186 -28.364 -22.919 1.00 36.27 ? 102 GLU   B CD  1 
ATOM   841  O OE1 . GLU   A 1 96  ? -32.362 -27.608 -22.259 1.00 24.15 ? 102 GLU   B OE1 1 
ATOM   842  O OE2 . GLU   A 1 96  ? -34.327 -28.740 -22.480 1.00 45.13 ? 102 GLU   B OE2 1 
ATOM   843  N N   . ASN   A 1 97  ? -32.896 -25.198 -26.947 1.00 13.85 ? 103 ASN   B N   1 
ATOM   844  C CA  . ASN   A 1 97  ? -33.317 -24.241 -27.980 1.00 13.62 ? 103 ASN   B CA  1 
ATOM   845  C C   . ASN   A 1 97  ? -32.165 -23.325 -28.385 1.00 12.60 ? 103 ASN   B C   1 
ATOM   846  O O   . ASN   A 1 97  ? -32.382 -22.475 -29.272 1.00 13.91 ? 103 ASN   B O   1 
ATOM   847  C CB  . ASN   A 1 97  ? -34.534 -23.419 -27.521 1.00 15.25 ? 103 ASN   B CB  1 
ATOM   848  C CG  . ASN   A 1 97  ? -35.813 -24.214 -27.498 1.00 17.88 ? 103 ASN   B CG  1 
ATOM   849  O OD1 . ASN   A 1 97  ? -35.908 -25.285 -28.121 1.00 20.26 ? 103 ASN   B OD1 1 
ATOM   850  N ND2 . ASN   A 1 97  ? -36.796 -23.757 -26.734 1.00 18.64 ? 103 ASN   B ND2 1 
ATOM   851  N N   . GLY   A 1 98  ? -30.948 -23.499 -27.857 1.00 11.42 ? 104 GLY   B N   1 
ATOM   852  C CA  . GLY   A 1 98  ? -29.806 -22.687 -28.295 1.00 11.03 ? 104 GLY   B CA  1 
ATOM   853  C C   . GLY   A 1 98  ? -29.538 -21.423 -27.488 1.00 9.97  ? 104 GLY   B C   1 
ATOM   854  O O   . GLY   A 1 98  ? -28.888 -20.541 -27.992 1.00 10.77 ? 104 GLY   B O   1 
ATOM   855  N N   . PHE   A 1 99  ? -30.003 -21.385 -26.221 1.00 10.46 ? 105 PHE   B N   1 
ATOM   856  C CA  . PHE   A 1 99  ? -29.790 -20.204 -25.358 1.00 9.92  ? 105 PHE   B CA  1 
ATOM   857  C C   . PHE   A 1 99  ? -29.076 -20.567 -24.071 1.00 9.03  ? 105 PHE   B C   1 
ATOM   858  O O   . PHE   A 1 99  ? -29.530 -21.558 -23.432 1.00 10.56 ? 105 PHE   B O   1 
ATOM   859  C CB  . PHE   A 1 99  ? -31.125 -19.533 -25.005 1.00 10.33 ? 105 PHE   B CB  1 
ATOM   860  C CG  . PHE   A 1 99  ? -31.936 -19.032 -26.183 1.00 10.05 ? 105 PHE   B CG  1 
ATOM   861  C CD1 . PHE   A 1 99  ? -32.832 -19.863 -26.823 1.00 11.10 ? 105 PHE   B CD1 1 
ATOM   862  C CD2 . PHE   A 1 99  ? -31.789 -17.744 -26.643 1.00 10.59 ? 105 PHE   B CD2 1 
ATOM   863  C CE1 . PHE   A 1 99  ? -33.582 -19.406 -27.894 1.00 11.71 ? 105 PHE   B CE1 1 
ATOM   864  C CE2 . PHE   A 1 99  ? -32.541 -17.297 -27.703 1.00 11.31 ? 105 PHE   B CE2 1 
ATOM   865  C CZ  . PHE   A 1 99  ? -33.428 -18.126 -28.322 1.00 10.99 ? 105 PHE   B CZ  1 
ATOM   866  N N   . TRP   A 1 100 ? -28.161 -19.719 -23.619 1.00 9.16  ? 106 TRP   B N   1 
ATOM   867  C CA  . TRP   A 1 100 ? -27.454 -19.840 -22.325 1.00 9.55  ? 106 TRP   B CA  1 
ATOM   868  C C   . TRP   A 1 100 ? -27.615 -18.491 -21.618 1.00 8.60  ? 106 TRP   B C   1 
ATOM   869  O O   . TRP   A 1 100 ? -26.876 -17.532 -21.947 1.00 9.35  ? 106 TRP   B O   1 
ATOM   870  C CB  . TRP   A 1 100 ? -25.987 -20.272 -22.504 1.00 9.65  ? 106 TRP   B CB  1 
ATOM   871  C CG  . TRP   A 1 100 ? -25.906 -21.650 -23.104 1.00 9.21  ? 106 TRP   B CG  1 
ATOM   872  C CD1 . TRP   A 1 100 ? -25.803 -22.846 -22.441 1.00 10.12 ? 106 TRP   B CD1 1 
ATOM   873  C CD2 . TRP   A 1 100 ? -25.924 -21.978 -24.518 1.00 9.88  ? 106 TRP   B CD2 1 
ATOM   874  N NE1 . TRP   A 1 100 ? -25.828 -23.895 -23.364 1.00 10.83 ? 106 TRP   B NE1 1 
ATOM   875  C CE2 . TRP   A 1 100 ? -25.916 -23.368 -24.617 1.00 10.90 ? 106 TRP   B CE2 1 
ATOM   876  C CE3 . TRP   A 1 100 ? -26.004 -21.182 -25.658 1.00 10.20 ? 106 TRP   B CE3 1 
ATOM   877  C CZ2 . TRP   A 1 100 ? -25.974 -24.007 -25.869 1.00 11.78 ? 106 TRP   B CZ2 1 
ATOM   878  C CZ3 . TRP   A 1 100 ? -26.052 -21.824 -26.878 1.00 12.07 ? 106 TRP   B CZ3 1 
ATOM   879  C CH2 . TRP   A 1 100 ? -26.045 -23.188 -26.963 1.00 11.63 ? 106 TRP   B CH2 1 
ATOM   880  N N   . THR   A 1 101 ? -28.625 -18.393 -20.762 1.00 9.32  ? 107 THR   B N   1 
ATOM   881  C CA  . THR   A 1 101 ? -29.118 -17.079 -20.273 1.00 9.65  ? 107 THR   B CA  1 
ATOM   882  C C   . THR   A 1 101 ? -29.446 -17.149 -18.773 1.00 9.00  ? 107 THR   B C   1 
ATOM   883  O O   . THR   A 1 101 ? -29.708 -18.219 -18.219 1.00 9.22  ? 107 THR   B O   1 
ATOM   884  C CB  . THR   A 1 101 ? -30.382 -16.645 -21.019 1.00 10.30 ? 107 THR   B CB  1 
ATOM   885  O OG1 . THR   A 1 101 ? -31.436 -17.572 -20.798 1.00 10.83 ? 107 THR   B OG1 1 
ATOM   886  C CG2 . THR   A 1 101 ? -30.105 -16.429 -22.495 1.00 11.09 ? 107 THR   B CG2 1 
ATOM   887  N N   . ILE   A 1 102 ? -29.464 -15.976 -18.162 1.00 9.27  ? 108 ILE   B N   1 
ATOM   888  C CA  . ILE   A 1 102 ? -30.124 -15.746 -16.829 1.00 9.12  ? 108 ILE   B CA  1 
ATOM   889  C C   . ILE   A 1 102 ? -31.125 -14.609 -17.020 1.00 9.23  ? 108 ILE   B C   1 
ATOM   890  O O   . ILE   A 1 102 ? -31.051 -13.849 -18.018 1.00 9.20  ? 108 ILE   B O   1 
ATOM   891  C CB  . ILE   A 1 102 ? -29.101 -15.435 -15.709 1.00 9.84  ? 108 ILE   B CB  1 
ATOM   892  C CG1 . ILE   A 1 102 ? -28.407 -14.083 -15.895 1.00 10.38 ? 108 ILE   B CG1 1 
ATOM   893  C CG2 . ILE   A 1 102 ? -28.092 -16.573 -15.607 1.00 10.79 ? 108 ILE   B CG2 1 
ATOM   894  C CD1 . ILE   A 1 102 ? -27.572 -13.626 -14.729 1.00 11.08 ? 108 ILE   B CD1 1 
ATOM   895  N N   . TRP   A 1 103 ? -31.969 -14.451 -16.019 1.00 9.61  ? 109 TRP   B N   1 
ATOM   896  C CA  . TRP   A 1 103 ? -33.004 -13.402 -16.086 1.00 9.90  ? 109 TRP   B CA  1 
ATOM   897  C C   . TRP   A 1 103 ? -33.428 -12.949 -14.711 1.00 10.48 ? 109 TRP   B C   1 
ATOM   898  O O   . TRP   A 1 103 ? -33.251 -13.637 -13.694 1.00 10.56 ? 109 TRP   B O   1 
ATOM   899  C CB  . TRP   A 1 103 ? -34.179 -13.844 -16.915 1.00 12.03 ? 109 TRP   B CB  1 
ATOM   900  C CG  . TRP   A 1 103 ? -34.980 -14.971 -16.374 1.00 13.99 ? 109 TRP   B CG  1 
ATOM   901  C CD1 . TRP   A 1 103 ? -35.835 -14.970 -15.298 1.00 14.82 ? 109 TRP   B CD1 1 
ATOM   902  C CD2 . TRP   A 1 103 ? -35.100 -16.226 -16.998 1.00 14.85 ? 109 TRP   B CD2 1 
ATOM   903  N NE1 . TRP   A 1 103 ? -36.488 -16.149 -15.219 1.00 17.48 ? 109 TRP   B NE1 1 
ATOM   904  C CE2 . TRP   A 1 103 ? -36.063 -16.945 -16.254 1.00 14.48 ? 109 TRP   B CE2 1 
ATOM   905  C CE3 . TRP   A 1 103 ? -34.497 -16.809 -18.109 1.00 15.48 ? 109 TRP   B CE3 1 
ATOM   906  C CZ2 . TRP   A 1 103 ? -36.415 -18.247 -16.576 1.00 17.98 ? 109 TRP   B CZ2 1 
ATOM   907  C CZ3 . TRP   A 1 103 ? -34.914 -18.066 -18.475 1.00 17.66 ? 109 TRP   B CZ3 1 
ATOM   908  C CH2 . TRP   A 1 103 ? -35.847 -18.759 -17.723 1.00 17.52 ? 109 TRP   B CH2 1 
ATOM   909  N N   . LEU   A 1 104 ? -34.033 -11.753 -14.710 1.00 10.52 ? 110 LEU   B N   1 
ATOM   910  C CA  . LEU   A 1 104 ? -34.821 -11.220 -13.588 1.00 10.60 ? 110 LEU   B CA  1 
ATOM   911  C C   . LEU   A 1 104 ? -36.281 -11.180 -14.015 1.00 10.54 ? 110 LEU   B C   1 
ATOM   912  O O   . LEU   A 1 104 ? -36.597 -10.701 -15.092 1.00 10.49 ? 110 LEU   B O   1 
ATOM   913  C CB  . LEU   A 1 104 ? -34.377 -9.814  -13.279 1.00 10.70 ? 110 LEU   B CB  1 
ATOM   914  C CG  . LEU   A 1 104 ? -35.203 -9.028  -12.254 1.00 11.03 ? 110 LEU   B CG  1 
ATOM   915  C CD1 . LEU   A 1 104 ? -35.194 -9.704  -10.885 1.00 11.85 ? 110 LEU   B CD1 1 
ATOM   916  C CD2 . LEU   A 1 104 ? -34.739 -7.588  -12.169 1.00 13.08 ? 110 LEU   B CD2 1 
ATOM   917  N N   . TRP   A 1 105 ? -37.145 -11.634 -13.108 0.68 11.50 ? 111 TRP   B N   1 
ATOM   918  C CA  . TRP   A 1 105 ? -38.608 -11.685 -13.311 0.68 12.57 ? 111 TRP   B CA  1 
ATOM   919  C C   . TRP   A 1 105 ? -39.274 -11.646 -11.946 0.68 12.46 ? 111 TRP   B C   1 
ATOM   920  O O   . TRP   A 1 105 ? -38.923 -12.479 -11.091 0.68 11.62 ? 111 TRP   B O   1 
ATOM   921  C CB  . TRP   A 1 105 ? -38.992 -12.965 -14.048 0.68 14.74 ? 111 TRP   B CB  1 
ATOM   922  C CG  . TRP   A 1 105 ? -40.459 -13.161 -14.195 0.68 17.01 ? 111 TRP   B CG  1 
ATOM   923  C CD1 . TRP   A 1 105 ? -41.267 -14.048 -13.539 0.68 17.07 ? 111 TRP   B CD1 1 
ATOM   924  C CD2 . TRP   A 1 105 ? -41.295 -12.412 -15.082 0.68 17.06 ? 111 TRP   B CD2 1 
ATOM   925  N NE1 . TRP   A 1 105 ? -42.550 -13.913 -13.983 0.68 17.79 ? 111 TRP   B NE1 1 
ATOM   926  C CE2 . TRP   A 1 105 ? -42.599 -12.919 -14.925 0.68 16.62 ? 111 TRP   B CE2 1 
ATOM   927  C CE3 . TRP   A 1 105 ? -41.073 -11.372 -15.991 0.68 16.63 ? 111 TRP   B CE3 1 
ATOM   928  C CZ2 . TRP   A 1 105 ? -43.680 -12.429 -15.651 0.68 19.56 ? 111 TRP   B CZ2 1 
ATOM   929  C CZ3 . TRP   A 1 105 ? -42.138 -10.894 -16.718 0.68 18.78 ? 111 TRP   B CZ3 1 
ATOM   930  C CH2 . TRP   A 1 105 ? -43.426 -11.402 -16.536 0.68 19.77 ? 111 TRP   B CH2 1 
ATOM   931  N N   . GLN   A 1 106 ? -40.189 -10.693 -11.741 1.00 11.95 ? 112 GLN   B N   1 
ATOM   932  C CA  . GLN   A 1 106 ? -41.016 -10.702 -10.488 1.00 12.50 ? 112 GLN   B CA  1 
ATOM   933  C C   . GLN   A 1 106 ? -40.134 -10.886 -9.282  1.00 13.68 ? 112 GLN   B C   1 
ATOM   934  O O   . GLN   A 1 106 ? -40.485 -11.769 -8.403  1.00 15.41 ? 112 GLN   B O   1 
ATOM   935  C CB  . GLN   A 1 106 ? -42.135 -11.738 -10.609 1.00 14.73 ? 112 GLN   B CB  1 
ATOM   936  C CG  . GLN   A 1 106 ? -43.042 -11.430 -11.789 1.00 15.03 ? 112 GLN   B CG  1 
ATOM   937  C CD  . GLN   A 1 106 ? -44.326 -12.217 -11.888 1.00 16.88 ? 112 GLN   B CD  1 
ATOM   938  O OE1 . GLN   A 1 106 ? -45.256 -11.862 -12.653 1.00 19.52 ? 112 GLN   B OE1 1 
ATOM   939  N NE2 . GLN   A 1 106 ? -44.407 -13.298 -11.132 1.00 15.42 ? 112 GLN   B NE2 1 
ATOM   940  N N   . ASP   A 1 107 ? -39.105 -10.084 -9.150  1.00 14.59 ? 113 ASP   B N   1 
ATOM   941  C CA  . ASP   A 1 107 ? -38.272 -9.995  -7.942  1.00 19.11 ? 113 ASP   B CA  1 
ATOM   942  C C   . ASP   A 1 107 ? -37.491 -11.289 -7.665  1.00 18.80 ? 113 ASP   B C   1 
ATOM   943  O O   . ASP   A 1 107 ? -36.851 -11.355 -6.579  1.00 26.57 ? 113 ASP   B O   1 
ATOM   944  C CB  . ASP   A 1 107 ? -39.222 -9.712  -6.776  1.00 23.01 ? 113 ASP   B CB  1 
ATOM   945  C CG  . ASP   A 1 107 ? -38.588 -9.094  -5.579  1.00 31.99 ? 113 ASP   B CG  1 
ATOM   946  O OD1 . ASP   A 1 107 ? -37.619 -8.310  -5.736  1.00 35.89 ? 113 ASP   B OD1 1 
ATOM   947  O OD2 . ASP   A 1 107 ? -39.135 -9.369  -4.479  1.00 43.87 ? 113 ASP   B OD2 1 
ATOM   948  N N   . SER   A 1 108 ? -37.373 -12.190 -8.651  1.00 14.97 ? 114 SER   B N   1 
ATOM   949  C CA  . SER   A 1 108 ? -36.484 -13.387 -8.549  1.00 17.09 ? 114 SER   B CA  1 
ATOM   950  C C   . SER   A 1 108 ? -35.548 -13.487 -9.758  1.00 14.11 ? 114 SER   B C   1 
ATOM   951  O O   . SER   A 1 108 ? -35.920 -13.143 -10.907 1.00 14.38 ? 114 SER   B O   1 
ATOM   952  C CB  . SER   A 1 108 ? -37.274 -14.623 -8.247  1.00 21.93 ? 114 SER   B CB  1 
ATOM   953  O OG  . SER   A 1 108 ? -37.947 -15.135 -9.373  1.00 30.06 ? 114 SER   B OG  1 
ATOM   954  N N   . TYR   A 1 109 ? -34.352 -13.971 -9.502  1.00 12.80 ? 115 TYR   B N   1 
ATOM   955  C CA  . TYR   A 1 109 ? -33.334 -14.248 -10.548 1.00 11.65 ? 115 TYR   B CA  1 
ATOM   956  C C   . TYR   A 1 109 ? -33.293 -15.738 -10.792 1.00 11.41 ? 115 TYR   B C   1 
ATOM   957  O O   . TYR   A 1 109 ? -33.270 -16.546 -9.838  1.00 11.85 ? 115 TYR   B O   1 
ATOM   958  C CB  . TYR   A 1 109 ? -31.970 -13.731 -10.124 1.00 12.06 ? 115 TYR   B CB  1 
ATOM   959  C CG  . TYR   A 1 109 ? -31.917 -12.231 -9.854  1.00 12.47 ? 115 TYR   B CG  1 
ATOM   960  C CD1 . TYR   A 1 109 ? -32.168 -11.669 -8.604  1.00 14.08 ? 115 TYR   B CD1 1 
ATOM   961  C CD2 . TYR   A 1 109 ? -31.568 -11.362 -10.871 1.00 11.93 ? 115 TYR   B CD2 1 
ATOM   962  C CE1 . TYR   A 1 109 ? -32.041 -10.298 -8.380  1.00 14.26 ? 115 TYR   B CE1 1 
ATOM   963  C CE2 . TYR   A 1 109 ? -31.485 -9.994  -10.679 1.00 12.31 ? 115 TYR   B CE2 1 
ATOM   964  C CZ  . TYR   A 1 109 ? -31.743 -9.459  -9.436  1.00 13.12 ? 115 TYR   B CZ  1 
ATOM   965  O OH  . TYR   A 1 109 ? -31.695 -8.108  -9.178  1.00 14.70 ? 115 TYR   B OH  1 
ATOM   966  N N   A GLU   A 1 110 ? -33.283 -16.149 -12.067 0.25 11.35 ? 116 GLU   B N   1 
ATOM   967  N N   B GLU   A 1 110 ? -33.253 -16.120 -12.072 0.25 11.11 ? 116 GLU   B N   1 
ATOM   968  C CA  A GLU   A 1 110 ? -33.256 -17.582 -12.460 0.25 11.90 ? 116 GLU   B CA  1 
ATOM   969  C CA  B GLU   A 1 110 ? -33.257 -17.534 -12.517 0.25 11.49 ? 116 GLU   B CA  1 
ATOM   970  C C   A GLU   A 1 110 ? -32.340 -17.790 -13.670 0.25 10.69 ? 116 GLU   B C   1 
ATOM   971  C C   B GLU   A 1 110 ? -32.202 -17.729 -13.614 0.25 10.20 ? 116 GLU   B C   1 
ATOM   972  O O   A GLU   A 1 110 ? -32.275 -16.926 -14.556 0.25 10.55 ? 116 GLU   B O   1 
ATOM   973  O O   B GLU   A 1 110 ? -31.846 -16.766 -14.349 0.25 9.41  ? 116 GLU   B O   1 
ATOM   974  C CB  A GLU   A 1 110 ? -34.658 -18.106 -12.757 0.25 13.60 ? 116 GLU   B CB  1 
ATOM   975  C CB  B GLU   A 1 110 ? -34.641 -17.952 -13.012 0.25 13.03 ? 116 GLU   B CB  1 
ATOM   976  C CG  A GLU   A 1 110 ? -35.611 -17.980 -11.576 0.25 15.53 ? 116 GLU   B CG  1 
ATOM   977  C CG  B GLU   A 1 110 ? -35.751 -17.793 -11.977 0.25 15.15 ? 116 GLU   B CG  1 
ATOM   978  C CD  A GLU   A 1 110 ? -37.044 -18.348 -11.911 0.25 17.95 ? 116 GLU   B CD  1 
ATOM   979  C CD  B GLU   A 1 110 ? -35.920 -18.958 -11.010 0.25 16.81 ? 116 GLU   B CD  1 
ATOM   980  O OE1 A GLU   A 1 110 ? -37.485 -18.025 -13.027 0.25 19.74 ? 116 GLU   B OE1 1 
ATOM   981  O OE1 B GLU   A 1 110 ? -35.431 -20.061 -11.296 0.25 21.15 ? 116 GLU   B OE1 1 
ATOM   982  O OE2 A GLU   A 1 110 ? -37.719 -18.961 -11.056 0.25 18.61 ? 116 GLU   B OE2 1 
ATOM   983  O OE2 B GLU   A 1 110 ? -36.605 -18.767 -10.009 0.25 22.56 ? 116 GLU   B OE2 1 
ATOM   984  N N   . ALA   A 1 111 ? -31.708 -18.965 -13.729 1.00 10.84 ? 117 ALA   B N   1 
ATOM   985  C CA  . ALA   A 1 111 ? -30.947 -19.395 -14.904 1.00 10.38 ? 117 ALA   B CA  1 
ATOM   986  C C   . ALA   A 1 111 ? -31.894 -20.124 -15.857 1.00 10.99 ? 117 ALA   B C   1 
ATOM   987  O O   . ALA   A 1 111 ? -32.744 -20.945 -15.424 1.00 11.37 ? 117 ALA   B O   1 
ATOM   988  C CB  . ALA   A 1 111 ? -29.781 -20.291 -14.525 1.00 10.54 ? 117 ALA   B CB  1 
ATOM   989  N N   . GLY   A 1 112 ? -31.747 -19.878 -17.161 1.00 10.96 ? 118 GLY   B N   1 
ATOM   990  C CA  . GLY   A 1 112 ? -32.561 -20.489 -18.211 1.00 12.10 ? 118 GLY   B CA  1 
ATOM   991  C C   . GLY   A 1 112 ? -32.189 -21.908 -18.530 1.00 12.64 ? 118 GLY   B C   1 
ATOM   992  O O   . GLY   A 1 112 ? -31.881 -22.242 -19.650 1.00 14.29 ? 118 GLY   B O   1 
ATOM   993  N N   . THR   A 1 113 ? -32.156 -22.782 -17.536 1.00 14.15 ? 119 THR   B N   1 
ATOM   994  C CA  . THR   A 1 113 ? -32.172 -24.243 -17.736 1.00 15.53 ? 119 THR   B CA  1 
ATOM   995  C C   . THR   A 1 113 ? -33.607 -24.716 -18.001 1.00 16.37 ? 119 THR   B C   1 
ATOM   996  O O   . THR   A 1 113 ? -34.530 -23.941 -17.823 1.00 18.62 ? 119 THR   B O   1 
ATOM   997  C CB  . THR   A 1 113 ? -31.526 -24.873 -16.526 1.00 13.60 ? 119 THR   B CB  1 
ATOM   998  O OG1 . THR   A 1 113 ? -32.219 -24.405 -15.352 1.00 13.48 ? 119 THR   B OG1 1 
ATOM   999  C CG2 . THR   A 1 113 ? -30.083 -24.547 -16.350 1.00 14.72 ? 119 THR   B CG2 1 
ATOM   1000 N N   . SER   A 1 114 ? -33.785 -25.996 -18.354 1.00 20.21 ? 120 SER   B N   1 
ATOM   1001 C CA  . SER   A 1 114 ? -35.125 -26.589 -18.537 1.00 23.79 ? 120 SER   B CA  1 
ATOM   1002 C C   . SER   A 1 114 ? -35.292 -27.760 -17.562 1.00 23.43 ? 120 SER   B C   1 
ATOM   1003 O O   . SER   A 1 114 ? -34.610 -28.772 -17.683 1.00 25.06 ? 120 SER   B O   1 
ATOM   1004 C CB  . SER   A 1 114 ? -35.340 -27.008 -19.986 1.00 28.85 ? 120 SER   B CB  1 
ATOM   1005 O OG  . SER   A 1 114 ? -36.669 -27.500 -20.133 1.00 32.67 ? 120 SER   B OG  1 
ATOM   1006 N N   . PRO   A 1 115 ? -36.054 -27.607 -16.470 1.00 21.97 ? 121 PRO   B N   1 
ATOM   1007 C CA  . PRO   A 1 115 ? -36.721 -26.370 -16.077 1.00 22.14 ? 121 PRO   B CA  1 
ATOM   1008 C C   . PRO   A 1 115 ? -35.748 -25.365 -15.422 1.00 18.64 ? 121 PRO   B C   1 
ATOM   1009 O O   . PRO   A 1 115 ? -34.602 -25.695 -15.158 1.00 17.20 ? 121 PRO   B O   1 
ATOM   1010 C CB  . PRO   A 1 115 ? -37.746 -26.858 -15.053 1.00 24.79 ? 121 PRO   B CB  1 
ATOM   1011 C CG  . PRO   A 1 115 ? -37.016 -27.980 -14.344 1.00 24.29 ? 121 PRO   B CG  1 
ATOM   1012 C CD  . PRO   A 1 115 ? -36.206 -28.664 -15.432 1.00 24.01 ? 121 PRO   B CD  1 
ATOM   1013 N N   . GLN   A 1 116 ? -36.202 -24.139 -15.220 1.00 17.52 ? 122 GLN   B N   1 
ATOM   1014 C CA  . GLN   A 1 116 ? -35.350 -23.020 -14.741 1.00 16.96 ? 122 GLN   B CA  1 
ATOM   1015 C C   . GLN   A 1 116 ? -34.792 -23.299 -13.340 1.00 14.50 ? 122 GLN   B C   1 
ATOM   1016 O O   . GLN   A 1 116 ? -35.442 -24.031 -12.549 1.00 15.47 ? 122 GLN   B O   1 
ATOM   1017 C CB  . GLN   A 1 116 ? -36.082 -21.681 -14.863 1.00 20.58 ? 122 GLN   B CB  1 
ATOM   1018 C CG  . GLN   A 1 116 ? -37.115 -21.396 -13.788 1.00 25.94 ? 122 GLN   B CG  1 
ATOM   1019 C CD  . GLN   A 1 116 ? -38.514 -21.703 -14.259 1.00 37.53 ? 122 GLN   B CD  1 
ATOM   1020 O OE1 . GLN   A 1 116 ? -38.772 -22.710 -14.925 1.00 43.28 ? 122 GLN   B OE1 1 
ATOM   1021 N NE2 . GLN   A 1 116 ? -39.442 -20.848 -13.864 1.00 44.33 ? 122 GLN   B NE2 1 
ATOM   1022 N N   . THR   A 1 117 ? -33.673 -22.683 -13.017 1.00 12.54 ? 123 THR   B N   1 
ATOM   1023 C CA  . THR   A 1 117 ? -32.923 -22.870 -11.777 1.00 12.26 ? 123 THR   B CA  1 
ATOM   1024 C C   . THR   A 1 117 ? -32.960 -21.575 -10.985 1.00 11.87 ? 123 THR   B C   1 
ATOM   1025 O O   . THR   A 1 117 ? -32.503 -20.529 -11.475 1.00 12.95 ? 123 THR   B O   1 
ATOM   1026 C CB  . THR   A 1 117 ? -31.499 -23.337 -12.063 1.00 11.80 ? 123 THR   B CB  1 
ATOM   1027 O OG1 . THR   A 1 117 ? -31.569 -24.556 -12.785 1.00 12.99 ? 123 THR   B OG1 1 
ATOM   1028 C CG2 . THR   A 1 117 ? -30.721 -23.508 -10.783 1.00 12.82 ? 123 THR   B CG2 1 
ATOM   1029 N N   . THR   A 1 118 ? -33.355 -21.635 -9.716  1.00 12.44 ? 124 THR   B N   1 
ATOM   1030 C CA  . THR   A 1 118 ? -33.306 -20.491 -8.800  1.00 13.33 ? 124 THR   B CA  1 
ATOM   1031 C C   . THR   A 1 118 ? -31.891 -20.019 -8.532  1.00 12.92 ? 124 THR   B C   1 
ATOM   1032 O O   . THR   A 1 118 ? -30.974 -20.875 -8.242  1.00 15.85 ? 124 THR   B O   1 
ATOM   1033 C CB  . THR   A 1 118 ? -33.935 -20.935 -7.465  1.00 16.43 ? 124 THR   B CB  1 
ATOM   1034 O OG1 . THR   A 1 118 ? -35.299 -21.230 -7.726  1.00 19.43 ? 124 THR   B OG1 1 
ATOM   1035 C CG2 . THR   A 1 118 ? -33.740 -19.898 -6.386  1.00 20.41 ? 124 THR   B CG2 1 
ATOM   1036 N N   . LEU   A 1 119 ? -31.614 -18.736 -8.665  1.00 12.12 ? 125 LEU   B N   1 
ATOM   1037 C CA  . LEU   A 1 119 ? -30.318 -18.125 -8.349  1.00 11.77 ? 125 LEU   B CA  1 
ATOM   1038 C C   . LEU   A 1 119 ? -30.391 -17.501 -6.949  1.00 14.38 ? 125 LEU   B C   1 
ATOM   1039 O O   . LEU   A 1 119 ? -31.514 -17.250 -6.433  1.00 18.59 ? 125 LEU   B O   1 
ATOM   1040 C CB  . LEU   A 1 119 ? -29.917 -17.058 -9.387  1.00 11.81 ? 125 LEU   B CB  1 
ATOM   1041 C CG  . LEU   A 1 119 ? -29.831 -17.579 -10.819 1.00 11.41 ? 125 LEU   B CG  1 
ATOM   1042 C CD1 . LEU   A 1 119 ? -29.580 -16.454 -11.792 1.00 11.75 ? 125 LEU   B CD1 1 
ATOM   1043 C CD2 . LEU   A 1 119 ? -28.752 -18.661 -10.955 1.00 12.65 ? 125 LEU   B CD2 1 
ATOM   1044 N N   . HIS   A 1 120 ? -29.264 -17.440 -6.282  1.00 14.02 ? 126 HIS   B N   1 
ATOM   1045 C CA  . HIS   A 1 120 ? -29.138 -16.942 -4.886  1.00 14.73 ? 126 HIS   B CA  1 
ATOM   1046 C C   . HIS   A 1 120 ? -28.284 -15.692 -4.925  1.00 16.28 ? 126 HIS   B C   1 
ATOM   1047 O O   . HIS   A 1 120 ? -27.035 -15.792 -4.942  1.00 21.58 ? 126 HIS   B O   1 
ATOM   1048 C CB  . HIS   A 1 120 ? -28.518 -18.047 -4.016  1.00 15.40 ? 126 HIS   B CB  1 
ATOM   1049 C CG  . HIS   A 1 120 ? -29.296 -19.323 -3.982  1.00 16.69 ? 126 HIS   B CG  1 
ATOM   1050 N ND1 . HIS   A 1 120 ? -29.009 -20.417 -4.815  1.00 21.33 ? 126 HIS   B ND1 1 
ATOM   1051 C CD2 . HIS   A 1 120 ? -30.362 -19.680 -3.250  1.00 19.77 ? 126 HIS   B CD2 1 
ATOM   1052 C CE1 . HIS   A 1 120 ? -29.910 -21.371 -4.579  1.00 22.03 ? 126 HIS   B CE1 1 
ATOM   1053 N NE2 . HIS   A 1 120 ? -30.715 -20.964 -3.597  1.00 20.34 ? 126 HIS   B NE2 1 
ATOM   1054 N N   . ILE   A 1 121 ? -28.889 -14.540 -5.037  1.00 18.13 ? 127 ILE   B N   1 
ATOM   1055 C CA  . ILE   A 1 121 ? -28.163 -13.250 -5.162  1.00 20.48 ? 127 ILE   B CA  1 
ATOM   1056 C C   . ILE   A 1 121 ? -28.536 -12.395 -3.921  1.00 20.68 ? 127 ILE   B C   1 
ATOM   1057 O O   . ILE   A 1 121 ? -29.706 -12.168 -3.687  1.00 27.32 ? 127 ILE   B O   1 
ATOM   1058 C CB  . ILE   A 1 121 ? -28.498 -12.578 -6.511  1.00 21.83 ? 127 ILE   B CB  1 
ATOM   1059 C CG1 . ILE   A 1 121 ? -28.207 -13.497 -7.711  1.00 18.98 ? 127 ILE   B CG1 1 
ATOM   1060 C CG2 . ILE   A 1 121 ? -27.710 -11.273 -6.573  1.00 27.59 ? 127 ILE   B CG2 1 
ATOM   1061 C CD1 . ILE   A 1 121 ? -28.341 -12.827 -9.075  1.00 19.48 ? 127 ILE   B CD1 1 
ATOM   1062 N N   . GLN   A 1 122 ? -27.547 -12.066 -3.105  1.00 24.23 ? 128 GLN   B N   1 
ATOM   1063 C CA  . GLN   A 1 122 ? -27.801 -11.281 -1.853  1.00 28.48 ? 128 GLN   B CA  1 
ATOM   1064 C C   . GLN   A 1 122 ? -27.793 -9.779  -2.181  1.00 25.59 ? 128 GLN   B C   1 
ATOM   1065 O O   . GLN   A 1 122 ? -28.584 -9.020  -1.542  1.00 26.35 ? 128 GLN   B O   1 
ATOM   1066 C CB  . GLN   A 1 122 ? -26.759 -11.663 -0.791  1.00 32.11 ? 128 GLN   B CB  1 
ATOM   1067 C CG  . GLN   A 1 122 ? -26.814 -10.805 0.481   1.00 41.14 ? 128 GLN   B CG  1 
ATOM   1068 C CD  . GLN   A 1 122 ? -28.088 -10.949 1.290   1.00 45.79 ? 128 GLN   B CD  1 
ATOM   1069 O OE1 . GLN   A 1 122 ? -28.775 -11.968 1.255   1.00 50.97 ? 128 GLN   B OE1 1 
ATOM   1070 N NE2 . GLN   A 1 122 ? -28.427 -9.907  2.037   1.00 48.40 ? 128 GLN   B NE2 1 
ATOM   1071 N N   . VAL   A 1 123 ? -27.005 -9.373  -3.170  1.00 21.40 ? 129 VAL   B N   1 
ATOM   1072 C CA  . VAL   A 1 123 ? -26.852 -7.939  -3.586  1.00 19.32 ? 129 VAL   B CA  1 
ATOM   1073 C C   . VAL   A 1 123 ? -27.447 -7.767  -4.978  1.00 18.81 ? 129 VAL   B C   1 
ATOM   1074 O O   . VAL   A 1 123 ? -26.827 -8.258  -5.918  1.00 17.38 ? 129 VAL   B O   1 
ATOM   1075 C CB  . VAL   A 1 123 ? -25.380 -7.515  -3.582  1.00 20.78 ? 129 VAL   B CB  1 
ATOM   1076 C CG1 . VAL   A 1 123 ? -25.164 -6.090  -4.094  1.00 21.55 ? 129 VAL   B CG1 1 
ATOM   1077 C CG2 . VAL   A 1 123 ? -24.784 -7.636  -2.182  1.00 23.68 ? 129 VAL   B CG2 1 
ATOM   1078 N N   . PRO   A 1 124 ? -28.669 -7.229  -5.177  1.00 17.74 ? 130 PRO   B N   1 
ATOM   1079 C CA  . PRO   A 1 124 ? -29.240 -7.106  -6.519  1.00 17.70 ? 130 PRO   B CA  1 
ATOM   1080 C C   . PRO   A 1 124 ? -28.261 -6.425  -7.453  1.00 16.88 ? 130 PRO   B C   1 
ATOM   1081 O O   . PRO   A 1 124 ? -27.745 -5.371  -7.165  1.00 17.77 ? 130 PRO   B O   1 
ATOM   1082 C CB  . PRO   A 1 124 ? -30.498 -6.244  -6.262  1.00 20.97 ? 130 PRO   B CB  1 
ATOM   1083 C CG  . PRO   A 1 124 ? -30.914 -6.689  -4.858  1.00 20.36 ? 130 PRO   B CG  1 
ATOM   1084 C CD  . PRO   A 1 124 ? -29.622 -6.782  -4.134  1.00 19.45 ? 130 PRO   B CD  1 
ATOM   1085 N N   . PRO   A 1 125 ? -27.870 -7.037  -8.584  1.00 15.12 ? 131 PRO   B N   1 
ATOM   1086 C CA  . PRO   A 1 125 ? -26.864 -6.455  -9.452  1.00 14.20 ? 131 PRO   B CA  1 
ATOM   1087 C C   . PRO   A 1 125 ? -27.357 -5.243  -10.241 1.00 14.32 ? 131 PRO   B C   1 
ATOM   1088 O O   . PRO   A 1 125 ? -28.471 -5.291  -10.750 1.00 14.73 ? 131 PRO   B O   1 
ATOM   1089 C CB  . PRO   A 1 125 ? -26.451 -7.642  -10.351 1.00 15.57 ? 131 PRO   B CB  1 
ATOM   1090 C CG  . PRO   A 1 125 ? -27.548 -8.622  -10.241 1.00 17.69 ? 131 PRO   B CG  1 
ATOM   1091 C CD  . PRO   A 1 125 ? -28.254 -8.403  -8.948  1.00 16.05 ? 131 PRO   B CD  1 
ATOM   1092 N N   . CYS   A 1 126 ? -26.497 -4.247  -10.369 1.00 14.41 ? 132 CYS   B N   1 
ATOM   1093 C CA  . CYS   A 1 126 ? -26.710 -3.134  -11.329 1.00 14.78 ? 132 CYS   B CA  1 
ATOM   1094 C C   . CYS   A 1 126 ? -25.922 -3.376  -12.616 1.00 13.65 ? 132 CYS   B C   1 
ATOM   1095 O O   . CYS   A 1 126 ? -26.261 -2.804  -13.637 1.00 13.29 ? 132 CYS   B O   1 
ATOM   1096 C CB  . CYS   A 1 126 ? -26.336 -1.788  -10.746 1.00 17.83 ? 132 CYS   B CB  1 
ATOM   1097 S SG  . CYS   A 1 126 ? -27.346 -1.359  -9.297  1.00 25.02 ? 132 CYS   B SG  1 
ATOM   1098 N N   A GLN   A 1 127 ? -24.832 -4.160  -12.573 0.25 13.67 ? 133 GLN   B N   1 
ATOM   1099 N N   B GLN   A 1 127 ? -24.952 -4.286  -12.547 0.25 13.85 ? 133 GLN   B N   1 
ATOM   1100 C CA  A GLN   A 1 127 ? -24.078 -4.575  -13.793 0.25 14.02 ? 133 GLN   B CA  1 
ATOM   1101 C CA  B GLN   A 1 127 ? -24.060 -4.617  -13.678 0.25 14.76 ? 133 GLN   B CA  1 
ATOM   1102 C C   A GLN   A 1 127 ? -23.689 -6.052  -13.666 0.25 13.45 ? 133 GLN   B C   1 
ATOM   1103 C C   B GLN   A 1 127 ? -23.803 -6.124  -13.617 0.25 13.90 ? 133 GLN   B C   1 
ATOM   1104 O O   A GLN   A 1 127 ? -23.251 -6.492  -12.573 0.25 12.18 ? 133 GLN   B O   1 
ATOM   1105 O O   B GLN   A 1 127 ? -23.689 -6.693  -12.497 0.25 12.27 ? 133 GLN   B O   1 
ATOM   1106 C CB  A GLN   A 1 127 ? -22.800 -3.779  -14.090 0.25 15.38 ? 133 GLN   B CB  1 
ATOM   1107 C CB  B GLN   A 1 127 ? -22.794 -3.760  -13.635 0.25 17.09 ? 133 GLN   B CB  1 
ATOM   1108 C CG  A GLN   A 1 127 ? -23.015 -2.300  -14.357 0.25 16.80 ? 133 GLN   B CG  1 
ATOM   1109 C CG  B GLN   A 1 127 ? -23.069 -2.271  -13.774 0.25 18.94 ? 133 GLN   B CG  1 
ATOM   1110 C CD  A GLN   A 1 127 ? -22.930 -1.529  -13.064 0.25 18.77 ? 133 GLN   B CD  1 
ATOM   1111 C CD  B GLN   A 1 127 ? -21.832 -1.460  -14.068 0.25 20.12 ? 133 GLN   B CD  1 
ATOM   1112 O OE1 A GLN   A 1 127 ? -22.178 -1.894  -12.159 0.25 19.28 ? 133 GLN   B OE1 1 
ATOM   1113 O OE1 B GLN   A 1 127 ? -20.724 -1.979  -14.129 0.25 24.23 ? 133 GLN   B OE1 1 
ATOM   1114 N NE2 A GLN   A 1 127 ? -23.731 -0.478  -12.957 0.25 19.04 ? 133 GLN   B NE2 1 
ATOM   1115 N NE2 B GLN   A 1 127 ? -22.016 -0.166  -14.234 0.25 22.78 ? 133 GLN   B NE2 1 
ATOM   1116 N N   . ILE   A 1 128 ? -23.853 -6.757  -14.789 1.00 12.82 ? 134 ILE   B N   1 
ATOM   1117 C CA  . ILE   A 1 128 ? -23.682 -8.227  -14.944 1.00 12.49 ? 134 ILE   B CA  1 
ATOM   1118 C C   . ILE   A 1 128 ? -22.480 -8.415  -15.875 1.00 12.99 ? 134 ILE   B C   1 
ATOM   1119 O O   . ILE   A 1 128 ? -22.412 -7.816  -16.970 1.00 11.94 ? 134 ILE   B O   1 
ATOM   1120 C CB  . ILE   A 1 128 ? -24.935 -8.873  -15.554 1.00 13.43 ? 134 ILE   B CB  1 
ATOM   1121 C CG1 . ILE   A 1 128 ? -26.235 -8.691  -14.742 1.00 16.62 ? 134 ILE   B CG1 1 
ATOM   1122 C CG2 . ILE   A 1 128 ? -24.650 -10.352 -15.865 1.00 13.89 ? 134 ILE   B CG2 1 
ATOM   1123 C CD1 . ILE   A 1 128 ? -26.259 -9.443  -13.525 1.00 16.20 ? 134 ILE   B CD1 1 
ATOM   1124 N N   . GLY   A 1 129 ? -21.529 -9.264  -15.492 1.00 11.99 ? 135 GLY   B N   1 
ATOM   1125 C CA  . GLY   A 1 129 ? -20.442 -9.706  -16.369 1.00 11.73 ? 135 GLY   B CA  1 
ATOM   1126 C C   . GLY   A 1 129 ? -20.739 -11.068 -16.963 1.00 11.50 ? 135 GLY   B C   1 
ATOM   1127 O O   . GLY   A 1 129 ? -21.268 -11.946 -16.275 1.00 11.70 ? 135 GLY   B O   1 
ATOM   1128 N N   . ILE   A 1 130 ? -20.495 -11.223 -18.268 1.00 11.78 ? 136 ILE   B N   1 
ATOM   1129 C CA  . ILE   A 1 130 ? -20.760 -12.486 -19.009 1.00 10.79 ? 136 ILE   B CA  1 
ATOM   1130 C C   . ILE   A 1 130 ? -19.448 -12.972 -19.615 1.00 11.56 ? 136 ILE   B C   1 
ATOM   1131 O O   . ILE   A 1 130 ? -18.769 -12.217 -20.301 1.00 11.71 ? 136 ILE   B O   1 
ATOM   1132 C CB  . ILE   A 1 130 ? -21.817 -12.262 -20.112 1.00 11.76 ? 136 ILE   B CB  1 
ATOM   1133 C CG1 . ILE   A 1 130 ? -23.105 -11.739 -19.487 1.00 13.63 ? 136 ILE   B CG1 1 
ATOM   1134 C CG2 . ILE   A 1 130 ? -22.075 -13.526 -20.921 1.00 12.86 ? 136 ILE   B CG2 1 
ATOM   1135 C CD1 . ILE   A 1 130 ? -24.134 -11.332 -20.446 1.00 17.10 ? 136 ILE   B CD1 1 
ATOM   1136 N N   . PHE   A 1 131 ? -19.089 -14.192 -19.279 1.00 11.57 ? 137 PHE   B N   1 
ATOM   1137 C CA  . PHE   A 1 131 ? -17.832 -14.830 -19.724 1.00 10.87 ? 137 PHE   B CA  1 
ATOM   1138 C C   . PHE   A 1 131 ? -18.190 -16.075 -20.511 1.00 10.77 ? 137 PHE   B C   1 
ATOM   1139 O O   . PHE   A 1 131 ? -18.954 -16.922 -20.049 1.00 11.78 ? 137 PHE   B O   1 
ATOM   1140 C CB  . PHE   A 1 131 ? -16.958 -15.223 -18.543 1.00 12.02 ? 137 PHE   B CB  1 
ATOM   1141 C CG  . PHE   A 1 131 ? -15.705 -15.993 -18.896 1.00 13.78 ? 137 PHE   B CG  1 
ATOM   1142 C CD1 . PHE   A 1 131 ? -14.699 -15.363 -19.577 1.00 15.22 ? 137 PHE   B CD1 1 
ATOM   1143 C CD2 . PHE   A 1 131 ? -15.555 -17.320 -18.553 1.00 15.26 ? 137 PHE   B CD2 1 
ATOM   1144 C CE1 . PHE   A 1 131 ? -13.523 -16.051 -19.868 1.00 17.83 ? 137 PHE   B CE1 1 
ATOM   1145 C CE2 . PHE   A 1 131 ? -14.421 -18.027 -18.912 1.00 16.84 ? 137 PHE   B CE2 1 
ATOM   1146 C CZ  . PHE   A 1 131 ? -13.405 -17.371 -19.544 1.00 15.92 ? 137 PHE   B CZ  1 
ATOM   1147 N N   . VAL   A 1 132 ? -17.613 -16.196 -21.701 1.00 11.16 ? 138 VAL   B N   1 
ATOM   1148 C CA  . VAL   A 1 132 ? -17.767 -17.380 -22.585 1.00 11.68 ? 138 VAL   B CA  1 
ATOM   1149 C C   . VAL   A 1 132 ? -16.376 -17.982 -22.858 1.00 10.93 ? 138 VAL   B C   1 
ATOM   1150 O O   . VAL   A 1 132 ? -15.490 -17.272 -23.328 1.00 13.21 ? 138 VAL   B O   1 
ATOM   1151 C CB  . VAL   A 1 132 ? -18.492 -17.050 -23.900 1.00 12.12 ? 138 VAL   B CB  1 
ATOM   1152 C CG1 . VAL   A 1 132 ? -18.627 -18.298 -24.742 1.00 13.27 ? 138 VAL   B CG1 1 
ATOM   1153 C CG2 . VAL   A 1 132 ? -19.867 -16.445 -23.639 1.00 13.29 ? 138 VAL   B CG2 1 
ATOM   1154 N N   . ASP   A 1 133 ? -16.227 -19.257 -22.545 1.00 11.59 ? 139 ASP   B N   1 
ATOM   1155 C CA  . ASP   A 1 133 ? -15.036 -20.037 -23.002 1.00 12.67 ? 139 ASP   B CA  1 
ATOM   1156 C C   . ASP   A 1 133 ? -15.562 -21.055 -24.004 1.00 11.62 ? 139 ASP   B C   1 
ATOM   1157 O O   . ASP   A 1 133 ? -16.181 -22.058 -23.632 1.00 12.01 ? 139 ASP   B O   1 
ATOM   1158 C CB  . ASP   A 1 133 ? -14.288 -20.628 -21.830 1.00 12.35 ? 139 ASP   B CB  1 
ATOM   1159 C CG  . ASP   A 1 133 ? -13.032 -21.395 -22.224 1.00 16.26 ? 139 ASP   B CG  1 
ATOM   1160 O OD1 . ASP   A 1 133 ? -12.937 -21.868 -23.382 1.00 16.62 ? 139 ASP   B OD1 1 
ATOM   1161 O OD2 . ASP   A 1 133 ? -12.200 -21.545 -21.276 1.00 19.79 ? 139 ASP   B OD2 1 
ATOM   1162 N N   . TYR   A 1 134 ? -15.327 -20.781 -25.295 1.00 12.91 ? 140 TYR   B N   1 
ATOM   1163 C CA  . TYR   A 1 134 ? -15.917 -21.619 -26.369 1.00 12.02 ? 140 TYR   B CA  1 
ATOM   1164 C C   . TYR   A 1 134 ? -15.409 -23.074 -26.308 1.00 13.48 ? 140 TYR   B C   1 
ATOM   1165 O O   . TYR   A 1 134 ? -16.142 -24.023 -26.238 1.00 15.23 ? 140 TYR   B O   1 
ATOM   1166 C CB  . TYR   A 1 134 ? -15.657 -20.996 -27.753 1.00 13.02 ? 140 TYR   B CB  1 
ATOM   1167 C CG  . TYR   A 1 134 ? -16.605 -21.583 -28.773 1.00 13.20 ? 140 TYR   B CG  1 
ATOM   1168 C CD1 . TYR   A 1 134 ? -16.435 -22.862 -29.294 1.00 13.52 ? 140 TYR   B CD1 1 
ATOM   1169 C CD2 . TYR   A 1 134 ? -17.745 -20.908 -29.206 1.00 13.18 ? 140 TYR   B CD2 1 
ATOM   1170 C CE1 . TYR   A 1 134 ? -17.334 -23.451 -30.140 1.00 13.40 ? 140 TYR   B CE1 1 
ATOM   1171 C CE2 . TYR   A 1 134 ? -18.656 -21.485 -30.063 1.00 12.71 ? 140 TYR   B CE2 1 
ATOM   1172 C CZ  . TYR   A 1 134 ? -18.460 -22.761 -30.564 1.00 12.58 ? 140 TYR   B CZ  1 
ATOM   1173 O OH  . TYR   A 1 134 ? -19.370 -23.362 -31.381 1.00 13.08 ? 140 TYR   B OH  1 
ATOM   1174 N N   . GLU   A 1 135 ? -14.104 -23.187 -26.230 1.00 15.75 ? 141 GLU   B N   1 
ATOM   1175 C CA  . GLU   A 1 135 ? -13.452 -24.524 -26.232 1.00 15.95 ? 141 GLU   B CA  1 
ATOM   1176 C C   . GLU   A 1 135 ? -13.832 -25.321 -24.996 1.00 15.82 ? 141 GLU   B C   1 
ATOM   1177 O O   . GLU   A 1 135 ? -14.140 -26.508 -25.149 1.00 18.55 ? 141 GLU   B O   1 
ATOM   1178 C CB  . GLU   A 1 135 ? -11.949 -24.383 -26.366 1.00 18.08 ? 141 GLU   B CB  1 
ATOM   1179 C CG  . GLU   A 1 135 ? -11.530 -24.215 -27.835 1.00 24.16 ? 141 GLU   B CG  1 
ATOM   1180 C CD  . GLU   A 1 135 ? -11.893 -22.885 -28.396 1.00 26.58 ? 141 GLU   B CD  1 
ATOM   1181 O OE1 . GLU   A 1 135 ? -12.107 -22.803 -29.574 1.00 24.55 ? 141 GLU   B OE1 1 
ATOM   1182 O OE2 . GLU   A 1 135 ? -11.934 -21.901 -27.608 1.00 28.97 ? 141 GLU   B OE2 1 
ATOM   1183 N N   . ALA   A 1 136 ? -13.930 -24.705 -23.817 1.00 14.65 ? 142 ALA   B N   1 
ATOM   1184 C CA  . ALA   A 1 136 ? -14.288 -25.414 -22.585 1.00 15.50 ? 142 ALA   B CA  1 
ATOM   1185 C C   . ALA   A 1 136 ? -15.790 -25.717 -22.514 1.00 14.91 ? 142 ALA   B C   1 
ATOM   1186 O O   . ALA   A 1 136 ? -16.199 -26.572 -21.709 1.00 17.44 ? 142 ALA   B O   1 
ATOM   1187 C CB  . ALA   A 1 136 ? -13.856 -24.583 -21.402 1.00 17.52 ? 142 ALA   B CB  1 
ATOM   1188 N N   . GLY   A 1 137 ? -16.638 -25.069 -23.304 1.00 12.69 ? 143 GLY   B N   1 
ATOM   1189 C CA  . GLY   A 1 137 ? -18.087 -25.211 -23.220 1.00 12.28 ? 143 GLY   B CA  1 
ATOM   1190 C C   . GLY   A 1 137 ? -18.648 -24.579 -21.923 1.00 11.49 ? 143 GLY   B C   1 
ATOM   1191 O O   . GLY   A 1 137 ? -19.427 -25.268 -21.218 1.00 12.55 ? 143 GLY   B O   1 
ATOM   1192 N N   . VAL   A 1 138 ? -18.227 -23.350 -21.630 1.00 11.70 ? 144 VAL   B N   1 
ATOM   1193 C CA  . VAL   A 1 138 ? -18.611 -22.641 -20.375 1.00 11.11 ? 144 VAL   B CA  1 
ATOM   1194 C C   . VAL   A 1 138 ? -19.231 -21.295 -20.724 1.00 10.54 ? 144 VAL   B C   1 
ATOM   1195 O O   . VAL   A 1 138 ? -18.648 -20.494 -21.495 1.00 11.65 ? 144 VAL   B O   1 
ATOM   1196 C CB  . VAL   A 1 138 ? -17.383 -22.475 -19.473 1.00 12.61 ? 144 VAL   B CB  1 
ATOM   1197 C CG1 . VAL   A 1 138 ? -17.665 -21.511 -18.327 1.00 13.00 ? 144 VAL   B CG1 1 
ATOM   1198 C CG2 . VAL   A 1 138 ? -16.946 -23.849 -18.974 1.00 13.93 ? 144 VAL   B CG2 1 
ATOM   1199 N N   . VAL   A 1 139 ? -20.322 -20.991 -20.015 1.00 10.72 ? 145 VAL   B N   1 
ATOM   1200 C CA  . VAL   A 1 139 ? -20.879 -19.604 -19.954 1.00 10.14 ? 145 VAL   B CA  1 
ATOM   1201 C C   . VAL   A 1 139 ? -21.068 -19.244 -18.473 1.00 9.74  ? 145 VAL   B C   1 
ATOM   1202 O O   . VAL   A 1 139 ? -21.845 -19.971 -17.781 1.00 10.90 ? 145 VAL   B O   1 
ATOM   1203 C CB  . VAL   A 1 139 ? -22.217 -19.473 -20.701 1.00 10.41 ? 145 VAL   B CB  1 
ATOM   1204 C CG1 . VAL   A 1 139 ? -22.693 -18.013 -20.678 1.00 10.52 ? 145 VAL   B CG1 1 
ATOM   1205 C CG2 . VAL   A 1 139 ? -22.083 -20.024 -22.104 1.00 11.50 ? 145 VAL   B CG2 1 
ATOM   1206 N N   . SER   A 1 140 ? -20.424 -18.195 -18.005 1.00 10.03 ? 146 SER   B N   1 
ATOM   1207 C CA  . SER   A 1 140 ? -20.532 -17.783 -16.596 1.00 10.93 ? 146 SER   B CA  1 
ATOM   1208 C C   . SER   A 1 140 ? -20.994 -16.338 -16.484 1.00 10.23 ? 146 SER   B C   1 
ATOM   1209 O O   . SER   A 1 140 ? -20.697 -15.519 -17.314 1.00 11.15 ? 146 SER   B O   1 
ATOM   1210 C CB  . SER   A 1 140 ? -19.222 -17.969 -15.889 1.00 11.48 ? 146 SER   B CB  1 
ATOM   1211 O OG  . SER   A 1 140 ? -18.847 -19.345 -15.783 1.00 12.64 ? 146 SER   B OG  1 
ATOM   1212 N N   . PHE   A 1 141 ? -21.676 -16.066 -15.371 1.00 9.90  ? 147 PHE   B N   1 
ATOM   1213 C CA  . PHE   A 1 141 ? -22.307 -14.778 -15.044 1.00 10.47 ? 147 PHE   B CA  1 
ATOM   1214 C C   . PHE   A 1 141 ? -21.752 -14.296 -13.722 1.00 10.50 ? 147 PHE   B C   1 
ATOM   1215 O O   . PHE   A 1 141 ? -21.774 -15.109 -12.752 1.00 10.44 ? 147 PHE   B O   1 
ATOM   1216 C CB  . PHE   A 1 141 ? -23.849 -14.868 -15.032 1.00 10.47 ? 147 PHE   B CB  1 
ATOM   1217 C CG  . PHE   A 1 141 ? -24.417 -15.288 -16.365 1.00 9.80  ? 147 PHE   B CG  1 
ATOM   1218 C CD1 . PHE   A 1 141 ? -24.475 -16.633 -16.743 1.00 10.03 ? 147 PHE   B CD1 1 
ATOM   1219 C CD2 . PHE   A 1 141 ? -24.926 -14.323 -17.238 1.00 9.99  ? 147 PHE   B CD2 1 
ATOM   1220 C CE1 . PHE   A 1 141 ? -24.998 -16.987 -17.976 1.00 10.47 ? 147 PHE   B CE1 1 
ATOM   1221 C CE2 . PHE   A 1 141 ? -25.451 -14.699 -18.472 1.00 10.01 ? 147 PHE   B CE2 1 
ATOM   1222 C CZ  . PHE   A 1 141 ? -25.487 -16.032 -18.856 1.00 9.68  ? 147 PHE   B CZ  1 
ATOM   1223 N N   . TYR   A 1 142 ? -21.426 -13.021 -13.641 1.00 10.80 ? 148 TYR   B N   1 
ATOM   1224 C CA  . TYR   A 1 142 ? -20.759 -12.407 -12.475 1.00 12.51 ? 148 TYR   B CA  1 
ATOM   1225 C C   . TYR   A 1 142 ? -21.543 -11.174 -12.042 1.00 13.64 ? 148 TYR   B C   1 
ATOM   1226 O O   . TYR   A 1 142 ? -22.007 -10.387 -12.873 1.00 12.30 ? 148 TYR   B O   1 
ATOM   1227 C CB  . TYR   A 1 142 ? -19.294 -12.118 -12.755 1.00 13.54 ? 148 TYR   B CB  1 
ATOM   1228 C CG  . TYR   A 1 142 ? -18.485 -13.361 -13.034 1.00 13.43 ? 148 TYR   B CG  1 
ATOM   1229 C CD1 . TYR   A 1 142 ? -18.003 -14.142 -12.005 1.00 13.89 ? 148 TYR   B CD1 1 
ATOM   1230 C CD2 . TYR   A 1 142 ? -18.308 -13.845 -14.315 1.00 14.25 ? 148 TYR   B CD2 1 
ATOM   1231 C CE1 . TYR   A 1 142 ? -17.339 -15.330 -12.256 1.00 14.18 ? 148 TYR   B CE1 1 
ATOM   1232 C CE2 . TYR   A 1 142 ? -17.613 -15.009 -14.591 1.00 14.12 ? 148 TYR   B CE2 1 
ATOM   1233 C CZ  . TYR   A 1 142 ? -17.096 -15.749 -13.546 1.00 15.09 ? 148 TYR   B CZ  1 
ATOM   1234 O OH  . TYR   A 1 142 ? -16.462 -16.947 -13.800 1.00 17.42 ? 148 TYR   B OH  1 
ATOM   1235 N N   . ASN   A 1 143 ? -21.586 -10.935 -10.740 1.00 14.20 ? 149 ASN   B N   1 
ATOM   1236 C CA  . ASN   A 1 143 ? -22.295 -9.775  -10.120 1.00 13.38 ? 149 ASN   B CA  1 
ATOM   1237 C C   . ASN   A 1 143 ? -21.267 -8.654  -9.947  1.00 13.27 ? 149 ASN   B C   1 
ATOM   1238 O O   . ASN   A 1 143 ? -20.489 -8.678  -8.950  1.00 14.86 ? 149 ASN   B O   1 
ATOM   1239 C CB  . ASN   A 1 143 ? -22.908 -10.207 -8.792  1.00 13.28 ? 149 ASN   B CB  1 
ATOM   1240 C CG  . ASN   A 1 143 ? -23.716 -9.109  -8.108  1.00 13.94 ? 149 ASN   B CG  1 
ATOM   1241 O OD1 . ASN   A 1 143 ? -23.569 -7.946  -8.506  1.00 15.16 ? 149 ASN   B OD1 1 
ATOM   1242 N ND2 . ASN   A 1 143 ? -24.623 -9.498  -7.262  1.00 14.74 ? 149 ASN   B ND2 1 
ATOM   1243 N N   . ILE   A 1 144 ? -21.199 -7.661  -10.826 1.00 13.82 ? 150 ILE   B N   1 
ATOM   1244 C CA  . ILE   A 1 144 ? -20.124 -6.645  -10.778 1.00 15.58 ? 150 ILE   B CA  1 
ATOM   1245 C C   . ILE   A 1 144 ? -20.370 -5.752  -9.544  1.00 16.48 ? 150 ILE   B C   1 
ATOM   1246 O O   . ILE   A 1 144 ? -19.358 -5.274  -8.974  1.00 19.08 ? 150 ILE   B O   1 
ATOM   1247 C CB  . ILE   A 1 144 ? -20.113 -5.856  -12.087 1.00 16.75 ? 150 ILE   B CB  1 
ATOM   1248 C CG1 . ILE   A 1 144 ? -19.936 -6.756  -13.323 1.00 17.32 ? 150 ILE   B CG1 1 
ATOM   1249 C CG2 . ILE   A 1 144 ? -19.078 -4.731  -12.056 1.00 18.66 ? 150 ILE   B CG2 1 
ATOM   1250 C CD1 . ILE   A 1 144 ? -18.875 -7.792  -13.140 1.00 21.03 ? 150 ILE   B CD1 1 
ATOM   1251 N N   . THR   A 1 145 ? -21.618 -5.561  -9.155  1.00 15.88 ? 151 THR   B N   1 
ATOM   1252 C CA  . THR   A 1 145 ? -22.009 -4.703  -7.985  1.00 16.79 ? 151 THR   B CA  1 
ATOM   1253 C C   . THR   A 1 145 ? -21.435 -5.334  -6.719  1.00 20.80 ? 151 THR   B C   1 
ATOM   1254 O O   . THR   A 1 145 ? -21.005 -4.555  -5.816  1.00 24.12 ? 151 THR   B O   1 
ATOM   1255 C CB  . THR   A 1 145 ? -23.537 -4.561  -7.940  1.00 16.62 ? 151 THR   B CB  1 
ATOM   1256 O OG1 . THR   A 1 145 ? -23.984 -4.106  -9.215  1.00 16.80 ? 151 THR   B OG1 1 
ATOM   1257 C CG2 . THR   A 1 145 ? -23.960 -3.586  -6.851  1.00 17.80 ? 151 THR   B CG2 1 
ATOM   1258 N N   . ASP   A 1 146 ? -21.363 -6.658  -6.639  1.00 19.50 ? 152 ASP   B N   1 
ATOM   1259 C CA  . ASP   A 1 146 ? -20.843 -7.433  -5.473  1.00 19.66 ? 152 ASP   B CA  1 
ATOM   1260 C C   . ASP   A 1 146 ? -19.426 -7.977  -5.730  1.00 20.83 ? 152 ASP   B C   1 
ATOM   1261 O O   . ASP   A 1 146 ? -19.225 -9.186  -5.552  1.00 20.81 ? 152 ASP   B O   1 
ATOM   1262 C CB  . ASP   A 1 146 ? -21.885 -8.435  -5.061  1.00 20.12 ? 152 ASP   B CB  1 
ATOM   1263 C CG  . ASP   A 1 146 ? -21.485 -9.235  -3.848  1.00 25.68 ? 152 ASP   B CG  1 
ATOM   1264 O OD1 . ASP   A 1 146 ? -20.995 -8.607  -2.896  1.00 24.85 ? 152 ASP   B OD1 1 
ATOM   1265 O OD2 . ASP   A 1 146 ? -21.651 -10.461 -3.888  1.00 24.26 ? 152 ASP   B OD2 1 
ATOM   1266 N N   . HIS   A 1 147 ? -18.485 -7.131  -6.125  1.00 23.07 ? 153 HIS   B N   1 
ATOM   1267 C CA  . HIS   A 1 147 ? -17.037 -7.469  -6.208  1.00 26.08 ? 153 HIS   B CA  1 
ATOM   1268 C C   . HIS   A 1 147 ? -16.850 -8.647  -7.169  1.00 25.11 ? 153 HIS   B C   1 
ATOM   1269 O O   . HIS   A 1 147 ? -15.915 -9.430  -7.006  1.00 26.56 ? 153 HIS   B O   1 
ATOM   1270 C CB  . HIS   A 1 147 ? -16.435 -7.876  -4.847  1.00 31.75 ? 153 HIS   B CB  1 
ATOM   1271 C CG  . HIS   A 1 147 ? -16.723 -7.007  -3.661  1.00 39.49 ? 153 HIS   B CG  1 
ATOM   1272 N ND1 . HIS   A 1 147 ? -16.005 -5.851  -3.391  1.00 44.57 ? 153 HIS   B ND1 1 
ATOM   1273 C CD2 . HIS   A 1 147 ? -17.581 -7.175  -2.627  1.00 43.43 ? 153 HIS   B CD2 1 
ATOM   1274 C CE1 . HIS   A 1 147 ? -16.441 -5.316  -2.265  1.00 47.74 ? 153 HIS   B CE1 1 
ATOM   1275 N NE2 . HIS   A 1 147 ? -17.412 -6.110  -1.772  1.00 47.65 ? 153 HIS   B NE2 1 
ATOM   1276 N N   . GLY   A 1 148 ? -17.735 -8.799  -8.154  1.00 20.44 ? 154 GLY   B N   1 
ATOM   1277 C CA  . GLY   A 1 148 ? -17.512 -9.833  -9.185  1.00 17.35 ? 154 GLY   B CA  1 
ATOM   1278 C C   . GLY   A 1 148 ? -17.938 -11.221 -8.764  1.00 15.21 ? 154 GLY   B C   1 
ATOM   1279 O O   . GLY   A 1 148 ? -17.430 -12.156 -9.370  1.00 16.35 ? 154 GLY   B O   1 
ATOM   1280 N N   . SER   A 1 149 ? -18.764 -11.368 -7.764  1.00 15.35 ? 155 SER   B N   1 
ATOM   1281 C CA  . SER   A 1 149 ? -19.134 -12.689 -7.217  1.00 13.22 ? 155 SER   B CA  1 
ATOM   1282 C C   . SER   A 1 149 ? -19.813 -13.533 -8.299  1.00 14.02 ? 155 SER   B C   1 
ATOM   1283 O O   . SER   A 1 149 ? -20.601 -13.009 -9.109  1.00 13.86 ? 155 SER   B O   1 
ATOM   1284 C CB  . SER   A 1 149 ? -19.983 -12.593 -5.991  1.00 14.70 ? 155 SER   B CB  1 
ATOM   1285 O OG  . SER   A 1 149 ? -21.165 -11.839 -6.183  1.00 16.23 ? 155 SER   B OG  1 
ATOM   1286 N N   . LEU   A 1 150 ? -19.599 -14.821 -8.288  1.00 13.02 ? 156 LEU   B N   1 
ATOM   1287 C CA  . LEU   A 1 150 ? -20.261 -15.730 -9.268  1.00 12.18 ? 156 LEU   B CA  1 
ATOM   1288 C C   . LEU   A 1 150 ? -21.755 -15.777 -9.018  1.00 11.77 ? 156 LEU   B C   1 
ATOM   1289 O O   . LEU   A 1 150 ? -22.269 -15.978 -7.888  1.00 12.52 ? 156 LEU   B O   1 
ATOM   1290 C CB  . LEU   A 1 150 ? -19.672 -17.142 -9.150  1.00 12.46 ? 156 LEU   B CB  1 
ATOM   1291 C CG  . LEU   A 1 150 ? -20.237 -18.188 -10.129 1.00 12.72 ? 156 LEU   B CG  1 
ATOM   1292 C CD1 . LEU   A 1 150 ? -19.856 -17.921 -11.561 1.00 13.18 ? 156 LEU   B CD1 1 
ATOM   1293 C CD2 . LEU   A 1 150 ? -19.701 -19.575 -9.680  1.00 13.92 ? 156 LEU   B CD2 1 
ATOM   1294 N N   . ILE   A 1 151 ? -22.526 -15.654 -10.120 1.00 10.64 ? 157 ILE   B N   1 
ATOM   1295 C CA  . ILE   A 1 151 ? -23.970 -15.873 -10.143 1.00 11.54 ? 157 ILE   B CA  1 
ATOM   1296 C C   . ILE   A 1 151 ? -24.326 -17.282 -10.620 1.00 10.15 ? 157 ILE   B C   1 
ATOM   1297 O O   . ILE   A 1 151 ? -25.137 -17.985 -10.011 1.00 10.98 ? 157 ILE   B O   1 
ATOM   1298 C CB  . ILE   A 1 151 ? -24.649 -14.790 -11.013 1.00 10.98 ? 157 ILE   B CB  1 
ATOM   1299 C CG1 . ILE   A 1 151 ? -24.479 -13.399 -10.418 1.00 12.07 ? 157 ILE   B CG1 1 
ATOM   1300 C CG2 . ILE   A 1 151 ? -26.117 -15.134 -11.163 1.00 11.28 ? 157 ILE   B CG2 1 
ATOM   1301 C CD1 . ILE   A 1 151 ? -24.937 -12.283 -11.349 1.00 12.17 ? 157 ILE   B CD1 1 
ATOM   1302 N N   . TYR   A 1 152 ? -23.769 -17.703 -11.751 1.00 10.44 ? 158 TYR   B N   1 
ATOM   1303 C CA  . TYR   A 1 152 ? -24.165 -18.992 -12.343 1.00 9.38  ? 158 TYR   B CA  1 
ATOM   1304 C C   . TYR   A 1 152 ? -23.116 -19.388 -13.389 1.00 9.88  ? 158 TYR   B C   1 
ATOM   1305 O O   . TYR   A 1 152 ? -22.630 -18.518 -14.146 1.00 9.99  ? 158 TYR   B O   1 
ATOM   1306 C CB  . TYR   A 1 152 ? -25.532 -18.905 -13.076 1.00 10.30 ? 158 TYR   B CB  1 
ATOM   1307 C CG  . TYR   A 1 152 ? -26.094 -20.253 -13.416 1.00 10.13 ? 158 TYR   B CG  1 
ATOM   1308 C CD1 . TYR   A 1 152 ? -26.709 -21.057 -12.459 1.00 10.50 ? 158 TYR   B CD1 1 
ATOM   1309 C CD2 . TYR   A 1 152 ? -25.959 -20.794 -14.692 1.00 9.92  ? 158 TYR   B CD2 1 
ATOM   1310 C CE1 . TYR   A 1 152 ? -27.166 -22.320 -12.779 1.00 11.68 ? 158 TYR   B CE1 1 
ATOM   1311 C CE2 . TYR   A 1 152 ? -26.405 -22.051 -15.009 1.00 10.69 ? 158 TYR   B CE2 1 
ATOM   1312 C CZ  . TYR   A 1 152 ? -26.988 -22.831 -14.045 1.00 11.30 ? 158 TYR   B CZ  1 
ATOM   1313 O OH  . TYR   A 1 152 ? -27.401 -24.116 -14.317 1.00 14.03 ? 158 TYR   B OH  1 
ATOM   1314 N N   . THR   A 1 153 ? -22.857 -20.699 -13.507 1.00 10.11 ? 159 THR   B N   1 
ATOM   1315 C CA  . THR   A 1 153 ? -22.017 -21.307 -14.558 1.00 10.34 ? 159 THR   B CA  1 
ATOM   1316 C C   . THR   A 1 153 ? -22.782 -22.417 -15.246 1.00 10.28 ? 159 THR   B C   1 
ATOM   1317 O O   . THR   A 1 153 ? -23.186 -23.403 -14.635 1.00 11.22 ? 159 THR   B O   1 
ATOM   1318 C CB  . THR   A 1 153 ? -20.696 -21.858 -13.989 1.00 11.32 ? 159 THR   B CB  1 
ATOM   1319 O OG1 . THR   A 1 153 ? -19.911 -20.740 -13.596 1.00 11.44 ? 159 THR   B OG1 1 
ATOM   1320 C CG2 . THR   A 1 153 ? -19.940 -22.660 -15.037 1.00 13.14 ? 159 THR   B CG2 1 
ATOM   1321 N N   . PHE   A 1 154 ? -23.008 -22.249 -16.560 1.00 10.49 ? 160 PHE   B N   1 
ATOM   1322 C CA  . PHE   A 1 154 ? -23.391 -23.357 -17.463 1.00 10.42 ? 160 PHE   B CA  1 
ATOM   1323 C C   . PHE   A 1 154 ? -22.086 -24.046 -17.897 1.00 11.24 ? 160 PHE   B C   1 
ATOM   1324 O O   . PHE   A 1 154 ? -21.227 -23.394 -18.458 1.00 11.41 ? 160 PHE   B O   1 
ATOM   1325 C CB  . PHE   A 1 154 ? -24.081 -22.866 -18.730 1.00 10.70 ? 160 PHE   B CB  1 
ATOM   1326 C CG  . PHE   A 1 154 ? -25.450 -22.250 -18.561 1.00 9.50  ? 160 PHE   B CG  1 
ATOM   1327 C CD1 . PHE   A 1 154 ? -25.604 -20.889 -18.321 1.00 9.69  ? 160 PHE   B CD1 1 
ATOM   1328 C CD2 . PHE   A 1 154 ? -26.589 -22.996 -18.773 1.00 10.23 ? 160 PHE   B CD2 1 
ATOM   1329 C CE1 . PHE   A 1 154 ? -26.861 -20.332 -18.218 1.00 9.86  ? 160 PHE   B CE1 1 
ATOM   1330 C CE2 . PHE   A 1 154 ? -27.863 -22.437 -18.668 1.00 10.62 ? 160 PHE   B CE2 1 
ATOM   1331 C CZ  . PHE   A 1 154 ? -27.975 -21.097 -18.409 1.00 9.59  ? 160 PHE   B CZ  1 
ATOM   1332 N N   . SER   A 1 155 ? -22.000 -25.333 -17.608 1.00 12.73 ? 161 SER   B N   1 
ATOM   1333 C CA  . SER   A 1 155 ? -20.853 -26.109 -18.112 1.00 14.04 ? 161 SER   B CA  1 
ATOM   1334 C C   . SER   A 1 155 ? -21.346 -27.256 -18.977 1.00 13.69 ? 161 SER   B C   1 
ATOM   1335 O O   . SER   A 1 155 ? -22.548 -27.531 -19.077 1.00 16.03 ? 161 SER   B O   1 
ATOM   1336 C CB  . SER   A 1 155 ? -20.002 -26.533 -16.946 1.00 15.12 ? 161 SER   B CB  1 
ATOM   1337 O OG  . SER   A 1 155 ? -20.659 -27.499 -16.180 1.00 20.19 ? 161 SER   B OG  1 
ATOM   1338 N N   . GLU   A 1 156 ? -20.396 -27.920 -19.650 1.00 16.18 ? 162 GLU   B N   1 
ATOM   1339 C CA  . GLU   A 1 156 ? -20.752 -29.001 -20.626 1.00 17.76 ? 162 GLU   B CA  1 
ATOM   1340 C C   . GLU   A 1 156 ? -21.694 -28.447 -21.701 1.00 16.71 ? 162 GLU   B C   1 
ATOM   1341 O O   . GLU   A 1 156 ? -22.630 -29.169 -22.157 1.00 18.14 ? 162 GLU   B O   1 
ATOM   1342 C CB  . GLU   A 1 156 ? -21.422 -30.201 -19.957 1.00 22.54 ? 162 GLU   B CB  1 
ATOM   1343 C CG  . GLU   A 1 156 ? -20.744 -30.691 -18.694 1.00 27.34 ? 162 GLU   B CG  1 
ATOM   1344 C CD  . GLU   A 1 156 ? -21.396 -31.983 -18.249 1.00 37.76 ? 162 GLU   B CD  1 
ATOM   1345 O OE1 . GLU   A 1 156 ? -22.439 -31.923 -17.563 1.00 40.84 ? 162 GLU   B OE1 1 
ATOM   1346 O OE2 . GLU   A 1 156 ? -20.924 -33.043 -18.692 1.00 44.74 ? 162 GLU   B OE2 1 
ATOM   1347 N N   . CYS   A 1 157 ? -21.477 -27.185 -22.102 1.00 14.51 ? 163 CYS   B N   1 
ATOM   1348 C CA  . CYS   A 1 157 ? -22.379 -26.553 -23.087 1.00 13.68 ? 163 CYS   B CA  1 
ATOM   1349 C C   . CYS   A 1 157 ? -22.155 -27.199 -24.459 1.00 15.32 ? 163 CYS   B C   1 
ATOM   1350 O O   . CYS   A 1 157 ? -20.953 -27.419 -24.815 1.00 17.00 ? 163 CYS   B O   1 
ATOM   1351 C CB  . CYS   A 1 157 ? -22.184 -25.042 -23.211 1.00 13.05 ? 163 CYS   B CB  1 
ATOM   1352 S SG  . CYS   A 1 157 ? -22.592 -24.116 -21.708 1.00 13.12 ? 163 CYS   B SG  1 
ATOM   1353 N N   . VAL   A 1 158 ? -23.223 -27.413 -25.197 1.00 14.46 ? 164 VAL   B N   1 
ATOM   1354 C CA  . VAL   A 1 158 ? -23.111 -27.924 -26.586 1.00 15.56 ? 164 VAL   B CA  1 
ATOM   1355 C C   . VAL   A 1 158 ? -23.540 -26.771 -27.496 1.00 14.07 ? 164 VAL   B C   1 
ATOM   1356 O O   . VAL   A 1 158 ? -24.712 -26.636 -27.875 1.00 15.98 ? 164 VAL   B O   1 
ATOM   1357 C CB  . VAL   A 1 158 ? -23.890 -29.261 -26.717 1.00 17.79 ? 164 VAL   B CB  1 
ATOM   1358 C CG1 . VAL   A 1 158 ? -23.773 -29.749 -28.165 1.00 18.73 ? 164 VAL   B CG1 1 
ATOM   1359 C CG2 . VAL   A 1 158 ? -23.352 -30.313 -25.746 1.00 19.81 ? 164 VAL   B CG2 1 
ATOM   1360 N N   . PHE   A 1 159 ? -22.630 -25.850 -27.807 1.00 12.89 ? 165 PHE   B N   1 
ATOM   1361 C CA  . PHE   A 1 159 ? -22.937 -24.616 -28.559 1.00 13.54 ? 165 PHE   B CA  1 
ATOM   1362 C C   . PHE   A 1 159 ? -23.528 -25.000 -29.906 1.00 15.39 ? 165 PHE   B C   1 
ATOM   1363 O O   . PHE   A 1 159 ? -24.509 -24.395 -30.339 1.00 16.10 ? 165 PHE   B O   1 
ATOM   1364 C CB  . PHE   A 1 159 ? -21.761 -23.656 -28.565 1.00 13.68 ? 165 PHE   B CB  1 
ATOM   1365 C CG  . PHE   A 1 159 ? -21.325 -23.171 -27.200 1.00 12.03 ? 165 PHE   B CG  1 
ATOM   1366 C CD1 . PHE   A 1 159 ? -22.264 -22.669 -26.300 1.00 12.75 ? 165 PHE   B CD1 1 
ATOM   1367 C CD2 . PHE   A 1 159 ? -19.998 -23.195 -26.818 1.00 14.24 ? 165 PHE   B CD2 1 
ATOM   1368 C CE1 . PHE   A 1 159 ? -21.850 -22.185 -25.059 1.00 13.05 ? 165 PHE   B CE1 1 
ATOM   1369 C CE2 . PHE   A 1 159 ? -19.588 -22.708 -25.589 1.00 14.15 ? 165 PHE   B CE2 1 
ATOM   1370 C CZ  . PHE   A 1 159 ? -20.521 -22.197 -24.706 1.00 12.40 ? 165 PHE   B CZ  1 
ATOM   1371 N N   . ALA   A 1 160 ? -22.829 -25.864 -30.634 1.00 14.01 ? 166 ALA   B N   1 
ATOM   1372 C CA  . ALA   A 1 160 ? -23.302 -26.438 -31.921 1.00 14.65 ? 166 ALA   B CA  1 
ATOM   1373 C C   . ALA   A 1 160 ? -23.393 -25.376 -33.010 1.00 13.94 ? 166 ALA   B C   1 
ATOM   1374 O O   . ALA   A 1 160 ? -24.202 -25.555 -33.970 1.00 15.12 ? 166 ALA   B O   1 
ATOM   1375 C CB  . ALA   A 1 160 ? -24.575 -27.203 -31.739 1.00 14.48 ? 166 ALA   B CB  1 
ATOM   1376 N N   . GLY   A 1 161 ? -22.605 -24.342 -32.937 1.00 14.54 ? 167 GLY   B N   1 
ATOM   1377 C CA  . GLY   A 1 161 ? -22.611 -23.251 -33.914 1.00 15.49 ? 167 GLY   B CA  1 
ATOM   1378 C C   . GLY   A 1 161 ? -21.949 -21.998 -33.404 1.00 13.49 ? 167 GLY   B C   1 
ATOM   1379 O O   . GLY   A 1 161 ? -21.531 -21.942 -32.225 1.00 14.46 ? 167 GLY   B O   1 
ATOM   1380 N N   . PRO   A 1 162 ? -21.852 -20.977 -34.230 1.00 12.98 ? 168 PRO   B N   1 
ATOM   1381 C CA  . PRO   A 1 162 ? -21.378 -19.682 -33.783 1.00 12.03 ? 168 PRO   B CA  1 
ATOM   1382 C C   . PRO   A 1 162 ? -22.346 -19.106 -32.726 1.00 12.37 ? 168 PRO   B C   1 
ATOM   1383 O O   . PRO   A 1 162 ? -23.547 -19.362 -32.788 1.00 12.95 ? 168 PRO   B O   1 
ATOM   1384 C CB  . PRO   A 1 162 ? -21.377 -18.788 -35.033 1.00 12.74 ? 168 PRO   B CB  1 
ATOM   1385 C CG  . PRO   A 1 162 ? -21.529 -19.782 -36.183 1.00 13.02 ? 168 PRO   B CG  1 
ATOM   1386 C CD  . PRO   A 1 162 ? -22.269 -20.949 -35.642 1.00 12.75 ? 168 PRO   B CD  1 
ATOM   1387 N N   . LEU   A 1 163 ? -21.772 -18.373 -31.785 1.00 11.79 ? 169 LEU   B N   1 
ATOM   1388 C CA  . LEU   A 1 163 ? -22.552 -17.730 -30.665 1.00 11.16 ? 169 LEU   B CA  1 
ATOM   1389 C C   . LEU   A 1 163 ? -22.676 -16.244 -30.926 1.00 12.79 ? 169 LEU   B C   1 
ATOM   1390 O O   . LEU   A 1 163 ? -21.742 -15.606 -31.415 1.00 13.46 ? 169 LEU   B O   1 
ATOM   1391 C CB  . LEU   A 1 163 ? -21.856 -17.973 -29.334 1.00 12.09 ? 169 LEU   B CB  1 
ATOM   1392 C CG  . LEU   A 1 163 ? -21.885 -19.401 -28.802 1.00 12.50 ? 169 LEU   B CG  1 
ATOM   1393 C CD1 . LEU   A 1 163 ? -21.048 -19.446 -27.544 1.00 13.20 ? 169 LEU   B CD1 1 
ATOM   1394 C CD2 . LEU   A 1 163 ? -23.301 -19.897 -28.579 1.00 13.37 ? 169 LEU   B CD2 1 
ATOM   1395 N N   . ARG   A 1 164 ? -23.801 -15.667 -30.499 1.00 11.78 ? 170 ARG   B N   1 
ATOM   1396 C CA  . ARG   A 1 164 ? -24.024 -14.213 -30.510 1.00 11.61 ? 170 ARG   B CA  1 
ATOM   1397 C C   . ARG   A 1 164 ? -24.421 -13.722 -29.120 1.00 9.90  ? 170 ARG   B C   1 
ATOM   1398 O O   . ARG   A 1 164 ? -25.185 -14.406 -28.434 1.00 10.60 ? 170 ARG   B O   1 
ATOM   1399 C CB  . ARG   A 1 164 ? -25.091 -13.853 -31.541 1.00 12.84 ? 170 ARG   B CB  1 
ATOM   1400 C CG  . ARG   A 1 164 ? -24.572 -14.235 -32.937 1.00 15.93 ? 170 ARG   B CG  1 
ATOM   1401 C CD  . ARG   A 1 164 ? -25.453 -13.844 -34.057 1.00 18.24 ? 170 ARG   B CD  1 
ATOM   1402 N NE  . ARG   A 1 164 ? -25.461 -12.403 -34.167 1.00 16.69 ? 170 ARG   B NE  1 
ATOM   1403 C CZ  . ARG   A 1 164 ? -26.170 -11.785 -35.083 1.00 18.37 ? 170 ARG   B CZ  1 
ATOM   1404 N NH1 . ARG   A 1 164 ? -26.785 -12.491 -36.008 1.00 17.97 ? 170 ARG   B NH1 1 
ATOM   1405 N NH2 . ARG   A 1 164 ? -26.202 -10.475 -35.097 1.00 16.19 ? 170 ARG   B NH2 1 
ATOM   1406 N N   . PRO   A 1 165 ? -23.950 -12.543 -28.668 1.00 9.55  ? 171 PRO   B N   1 
ATOM   1407 C CA  . PRO   A 1 165 ? -24.509 -11.926 -27.448 1.00 9.61  ? 171 PRO   B CA  1 
ATOM   1408 C C   . PRO   A 1 165 ? -26.019 -11.760 -27.621 1.00 9.87  ? 171 PRO   B C   1 
ATOM   1409 O O   . PRO   A 1 165 ? -26.536 -11.448 -28.689 1.00 10.24 ? 171 PRO   B O   1 
ATOM   1410 C CB  . PRO   A 1 165 ? -23.801 -10.580 -27.351 1.00 9.90  ? 171 PRO   B CB  1 
ATOM   1411 C CG  . PRO   A 1 165 ? -22.510 -10.783 -28.187 1.00 11.27 ? 171 PRO   B CG  1 
ATOM   1412 C CD  . PRO   A 1 165 ? -22.965 -11.671 -29.318 1.00 11.91 ? 171 PRO   B CD  1 
ATOM   1413 N N   . PHE   A 1 166 ? -26.746 -12.056 -26.539 1.00 9.08  ? 172 PHE   B N   1 
ATOM   1414 C CA  . PHE   A 1 166 ? -28.221 -12.081 -26.510 1.00 9.43  ? 172 PHE   B CA  1 
ATOM   1415 C C   . PHE   A 1 166 ? -28.767 -11.164 -25.401 1.00 8.56  ? 172 PHE   B C   1 
ATOM   1416 O O   . PHE   A 1 166 ? -28.255 -11.155 -24.270 1.00 9.18  ? 172 PHE   B O   1 
ATOM   1417 C CB  . PHE   A 1 166 ? -28.710 -13.503 -26.257 1.00 9.77  ? 172 PHE   B CB  1 
ATOM   1418 C CG  . PHE   A 1 166 ? -30.211 -13.610 -26.093 1.00 10.06 ? 172 PHE   B CG  1 
ATOM   1419 C CD1 . PHE   A 1 166 ? -31.070 -13.592 -27.188 1.00 10.37 ? 172 PHE   B CD1 1 
ATOM   1420 C CD2 . PHE   A 1 166 ? -30.781 -13.661 -24.826 1.00 10.58 ? 172 PHE   B CD2 1 
ATOM   1421 C CE1 . PHE   A 1 166 ? -32.441 -13.649 -27.003 1.00 10.80 ? 172 PHE   B CE1 1 
ATOM   1422 C CE2 . PHE   A 1 166 ? -32.147 -13.707 -24.654 1.00 10.30 ? 172 PHE   B CE2 1 
ATOM   1423 C CZ  . PHE   A 1 166 ? -32.973 -13.707 -25.743 1.00 10.82 ? 172 PHE   B CZ  1 
ATOM   1424 N N   . PHE   A 1 167 ? -29.818 -10.395 -25.757 1.00 8.60  ? 173 PHE   B N   1 
ATOM   1425 C CA  . PHE   A 1 167 ? -30.406 -9.381  -24.860 1.00 8.39  ? 173 PHE   B CA  1 
ATOM   1426 C C   . PHE   A 1 167 ? -31.923 -9.455  -24.980 1.00 9.21  ? 173 PHE   B C   1 
ATOM   1427 O O   . PHE   A 1 167 ? -32.461 -9.498  -26.110 1.00 9.50  ? 173 PHE   B O   1 
ATOM   1428 C CB  . PHE   A 1 167 ? -29.972 -7.957  -25.259 1.00 9.43  ? 173 PHE   B CB  1 
ATOM   1429 C CG  . PHE   A 1 167 ? -28.466 -7.813  -25.364 1.00 9.41  ? 173 PHE   B CG  1 
ATOM   1430 C CD1 . PHE   A 1 167 ? -27.785 -8.129  -26.541 1.00 10.08 ? 173 PHE   B CD1 1 
ATOM   1431 C CD2 . PHE   A 1 167 ? -27.695 -7.357  -24.286 1.00 11.02 ? 173 PHE   B CD2 1 
ATOM   1432 C CE1 . PHE   A 1 167 ? -26.400 -8.048  -26.641 1.00 9.97  ? 173 PHE   B CE1 1 
ATOM   1433 C CE2 . PHE   A 1 167 ? -26.321 -7.226  -24.406 1.00 11.47 ? 173 PHE   B CE2 1 
ATOM   1434 C CZ  . PHE   A 1 167 ? -25.683 -7.571  -25.586 1.00 11.67 ? 173 PHE   B CZ  1 
ATOM   1435 N N   . ASN   A 1 168 ? -32.622 -9.274  -23.870 1.00 9.29  ? 174 ASN   B N   1 
ATOM   1436 C CA  . ASN   A 1 168 ? -34.089 -9.031  -23.835 1.00 8.81  ? 174 ASN   B CA  1 
ATOM   1437 C C   . ASN   A 1 168 ? -34.319 -7.894  -22.832 1.00 9.30  ? 174 ASN   B C   1 
ATOM   1438 O O   . ASN   A 1 168 ? -34.009 -8.067  -21.659 1.00 10.44 ? 174 ASN   B O   1 
ATOM   1439 C CB  . ASN   A 1 168 ? -34.879 -10.282 -23.448 1.00 9.46  ? 174 ASN   B CB  1 
ATOM   1440 C CG  . ASN   A 1 168 ? -36.381 -10.090 -23.513 1.00 11.16 ? 174 ASN   B CG  1 
ATOM   1441 O OD1 . ASN   A 1 168 ? -36.878 -9.015  -23.827 1.00 11.76 ? 174 ASN   B OD1 1 
ATOM   1442 N ND2 . ASN   A 1 168 ? -37.104 -11.160 -23.268 1.00 12.02 ? 174 ASN   B ND2 1 
ATOM   1443 N N   . VAL   A 1 169 ? -34.841 -6.756  -23.316 1.00 9.38  ? 175 VAL   B N   1 
ATOM   1444 C CA  . VAL   A 1 169 ? -35.093 -5.594  -22.407 1.00 9.46  ? 175 VAL   B CA  1 
ATOM   1445 C C   . VAL   A 1 169 ? -36.366 -5.814  -21.584 1.00 9.92  ? 175 VAL   B C   1 
ATOM   1446 O O   . VAL   A 1 169 ? -36.608 -5.006  -20.658 1.00 11.25 ? 175 VAL   B O   1 
ATOM   1447 C CB  . VAL   A 1 169 ? -35.153 -4.244  -23.166 1.00 10.77 ? 175 VAL   B CB  1 
ATOM   1448 C CG1 . VAL   A 1 169 ? -33.840 -3.915  -23.826 1.00 11.86 ? 175 VAL   B CG1 1 
ATOM   1449 C CG2 . VAL   A 1 169 ? -36.302 -4.180  -24.152 1.00 11.34 ? 175 VAL   B CG2 1 
ATOM   1450 N N   . GLY   A 1 170 ? -37.183 -6.796  -21.963 1.00 10.06 ? 176 GLY   B N   1 
ATOM   1451 C CA  . GLY   A 1 170 ? -38.482 -7.060  -21.312 1.00 10.72 ? 176 GLY   B CA  1 
ATOM   1452 C C   . GLY   A 1 170 ? -39.562 -6.101  -21.737 1.00 10.88 ? 176 GLY   B C   1 
ATOM   1453 O O   . GLY   A 1 170 ? -39.319 -5.033  -22.291 1.00 10.33 ? 176 GLY   B O   1 
ATOM   1454 N N   . PHE   A 1 171 ? -40.788 -6.544  -21.502 1.00 12.05 ? 177 PHE   B N   1 
ATOM   1455 C CA  . PHE   A 1 171 ? -41.987 -5.694  -21.672 1.00 11.61 ? 177 PHE   B CA  1 
ATOM   1456 C C   . PHE   A 1 171 ? -42.007 -4.634  -20.592 1.00 10.97 ? 177 PHE   B C   1 
ATOM   1457 O O   . PHE   A 1 171 ? -41.300 -4.673  -19.598 1.00 10.54 ? 177 PHE   B O   1 
ATOM   1458 C CB  . PHE   A 1 171 ? -43.273 -6.532  -21.721 1.00 12.57 ? 177 PHE   B CB  1 
ATOM   1459 C CG  . PHE   A 1 171 ? -43.394 -7.407  -22.939 1.00 14.11 ? 177 PHE   B CG  1 
ATOM   1460 C CD1 . PHE   A 1 171 ? -43.690 -6.877  -24.183 1.00 15.54 ? 177 PHE   B CD1 1 
ATOM   1461 C CD2 . PHE   A 1 171 ? -43.247 -8.774  -22.833 1.00 16.61 ? 177 PHE   B CD2 1 
ATOM   1462 C CE1 . PHE   A 1 171 ? -43.771 -7.707  -25.313 1.00 16.37 ? 177 PHE   B CE1 1 
ATOM   1463 C CE2 . PHE   A 1 171 ? -43.367 -9.591  -23.964 1.00 17.95 ? 177 PHE   B CE2 1 
ATOM   1464 C CZ  . PHE   A 1 171 ? -43.680 -9.055  -25.170 1.00 16.48 ? 177 PHE   B CZ  1 
ATOM   1465 N N   . ASN   A 1 172 ? -42.861 -3.648  -20.828 1.00 11.53 ? 178 ASN   B N   1 
ATOM   1466 C CA  . ASN   A 1 172 ? -43.055 -2.558  -19.838 1.00 10.37 ? 178 ASN   B CA  1 
ATOM   1467 C C   . ASN   A 1 172 ? -44.572 -2.397  -19.616 1.00 10.62 ? 178 ASN   B C   1 
ATOM   1468 O O   . ASN   A 1 172 ? -45.084 -1.241  -19.644 1.00 12.83 ? 178 ASN   B O   1 
ATOM   1469 C CB  . ASN   A 1 172 ? -42.391 -1.274  -20.289 1.00 11.14 ? 178 ASN   B CB  1 
ATOM   1470 C CG  . ASN   A 1 172 ? -42.444 -0.198  -19.230 1.00 11.59 ? 178 ASN   B CG  1 
ATOM   1471 O OD1 . ASN   A 1 172 ? -42.471 -0.445  -18.034 1.00 11.67 ? 178 ASN   B OD1 1 
ATOM   1472 N ND2 . ASN   A 1 172 ? -42.375 1.051   -19.675 1.00 13.76 ? 178 ASN   B ND2 1 
ATOM   1473 N N   . TYR   A 1 173 ? -45.240 -3.454  -19.240 1.00 11.53 ? 179 TYR   B N   1 
ATOM   1474 C CA  . TYR   A 1 173 ? -46.675 -3.396  -18.840 1.00 11.02 ? 179 TYR   B CA  1 
ATOM   1475 C C   . TYR   A 1 173 ? -46.830 -2.576  -17.569 1.00 12.22 ? 179 TYR   B C   1 
ATOM   1476 O O   . TYR   A 1 173 ? -47.921 -1.936  -17.348 1.00 13.21 ? 179 TYR   B O   1 
ATOM   1477 C CB  . TYR   A 1 173 ? -47.265 -4.796  -18.636 1.00 12.18 ? 179 TYR   B CB  1 
ATOM   1478 C CG  . TYR   A 1 173 ? -47.375 -5.648  -19.880 1.00 14.86 ? 179 TYR   B CG  1 
ATOM   1479 C CD1 . TYR   A 1 173 ? -48.361 -5.389  -20.823 1.00 18.48 ? 179 TYR   B CD1 1 
ATOM   1480 C CD2 . TYR   A 1 173 ? -46.541 -6.732  -20.086 1.00 16.34 ? 179 TYR   B CD2 1 
ATOM   1481 C CE1 . TYR   A 1 173 ? -48.450 -6.126  -22.003 1.00 20.21 ? 179 TYR   B CE1 1 
ATOM   1482 C CE2 . TYR   A 1 173 ? -46.619 -7.478  -21.274 1.00 16.27 ? 179 TYR   B CE2 1 
ATOM   1483 C CZ  . TYR   A 1 173 ? -47.575 -7.171  -22.212 1.00 18.97 ? 179 TYR   B CZ  1 
ATOM   1484 O OH  . TYR   A 1 173 ? -47.695 -7.943  -23.360 1.00 24.59 ? 179 TYR   B OH  1 
ATOM   1485 N N   . SER   A 1 174 ? -45.887 -2.590  -16.645 1.00 11.13 ? 180 SER   B N   1 
ATOM   1486 C CA  . SER   A 1 174 ? -45.980 -1.999  -15.291 1.00 12.57 ? 180 SER   B CA  1 
ATOM   1487 C C   . SER   A 1 174 ? -45.700 -0.500  -15.324 1.00 12.36 ? 180 SER   B C   1 
ATOM   1488 O O   . SER   A 1 174 ? -45.996 0.177   -14.308 1.00 14.56 ? 180 SER   B O   1 
ATOM   1489 C CB  . SER   A 1 174 ? -45.002 -2.631  -14.334 1.00 12.99 ? 180 SER   B CB  1 
ATOM   1490 O OG  . SER   A 1 174 ? -43.650 -2.372  -14.797 1.00 13.06 ? 180 SER   B OG  1 
ATOM   1491 N N   . GLY   A 1 175 ? -45.038 0.020   -16.353 1.00 11.56 ? 181 GLY   B N   1 
ATOM   1492 C CA  . GLY   A 1 175 ? -44.512 1.388   -16.282 1.00 11.92 ? 181 GLY   B CA  1 
ATOM   1493 C C   . GLY   A 1 175 ? -43.245 1.514   -15.481 1.00 12.27 ? 181 GLY   B C   1 
ATOM   1494 O O   . GLY   A 1 175 ? -42.750 2.631   -15.367 1.00 15.46 ? 181 GLY   B O   1 
ATOM   1495 N N   . GLY   A 1 176 ? -42.723 0.423   -14.908 1.00 11.92 ? 182 GLY   B N   1 
ATOM   1496 C CA  . GLY   A 1 176 ? -41.503 0.446   -14.103 1.00 11.77 ? 182 GLY   B CA  1 
ATOM   1497 C C   . GLY   A 1 176 ? -40.312 -0.216  -14.800 1.00 12.87 ? 182 GLY   B C   1 
ATOM   1498 O O   . GLY   A 1 176 ? -39.254 -0.294  -14.109 1.00 14.59 ? 182 GLY   B O   1 
ATOM   1499 N N   . ASN   A 1 177 ? -40.443 -0.625  -16.047 1.00 10.94 ? 183 ASN   B N   1 
ATOM   1500 C CA  . ASN   A 1 177 ? -39.349 -1.324  -16.754 1.00 10.72 ? 183 ASN   B CA  1 
ATOM   1501 C C   . ASN   A 1 177 ? -38.894 -0.615  -18.030 1.00 11.15 ? 183 ASN   B C   1 
ATOM   1502 O O   . ASN   A 1 177 ? -38.341 -1.277  -18.917 1.00 12.28 ? 183 ASN   B O   1 
ATOM   1503 C CB  . ASN   A 1 177 ? -39.739 -2.752  -17.089 1.00 10.63 ? 183 ASN   B CB  1 
ATOM   1504 C CG  . ASN   A 1 177 ? -38.520 -3.627  -17.354 1.00 10.30 ? 183 ASN   B CG  1 
ATOM   1505 O OD1 . ASN   A 1 177 ? -37.501 -3.464  -16.701 1.00 11.03 ? 183 ASN   B OD1 1 
ATOM   1506 N ND2 . ASN   A 1 177 ? -38.696 -4.550  -18.267 1.00 10.33 ? 183 ASN   B ND2 1 
ATOM   1507 N N   . ALA   A 1 178 ? -38.989 0.698   -18.110 1.00 11.71 ? 184 ALA   B N   1 
ATOM   1508 C CA  . ALA   A 1 178 ? -38.588 1.441   -19.321 1.00 12.92 ? 184 ALA   B CA  1 
ATOM   1509 C C   . ALA   A 1 178 ? -37.072 1.571   -19.476 1.00 11.91 ? 184 ALA   B C   1 
ATOM   1510 O O   . ALA   A 1 178 ? -36.630 1.847   -20.618 1.00 13.98 ? 184 ALA   B O   1 
ATOM   1511 C CB  . ALA   A 1 178 ? -39.228 2.846   -19.301 1.00 13.83 ? 184 ALA   B CB  1 
ATOM   1512 N N   . ALA   A 1 179 ? -36.314 1.411   -18.396 1.00 11.99 ? 185 ALA   B N   1 
ATOM   1513 C CA  . ALA   A 1 179 ? -34.862 1.714   -18.455 1.00 11.95 ? 185 ALA   B CA  1 
ATOM   1514 C C   . ALA   A 1 179 ? -34.165 0.829   -19.495 1.00 11.76 ? 185 ALA   B C   1 
ATOM   1515 O O   . ALA   A 1 179 ? -34.562 -0.317  -19.753 1.00 11.59 ? 185 ALA   B O   1 
ATOM   1516 C CB  . ALA   A 1 179 ? -34.229 1.556   -17.112 1.00 12.66 ? 185 ALA   B CB  1 
ATOM   1517 N N   . PRO   A 1 180 ? -33.074 1.318   -20.098 1.00 11.71 ? 186 PRO   B N   1 
ATOM   1518 C CA  . PRO   A 1 180 ? -32.338 0.565   -21.110 1.00 11.10 ? 186 PRO   B CA  1 
ATOM   1519 C C   . PRO   A 1 180 ? -31.422 -0.539  -20.519 1.00 10.39 ? 186 PRO   B C   1 
ATOM   1520 O O   . PRO   A 1 180 ? -31.082 -0.507  -19.352 1.00 11.86 ? 186 PRO   B O   1 
ATOM   1521 C CB  . PRO   A 1 180 ? -31.445 1.641   -21.753 1.00 12.61 ? 186 PRO   B CB  1 
ATOM   1522 C CG  . PRO   A 1 180 ? -31.195 2.618   -20.661 1.00 14.03 ? 186 PRO   B CG  1 
ATOM   1523 C CD  . PRO   A 1 180 ? -32.501 2.653   -19.867 1.00 14.00 ? 186 PRO   B CD  1 
ATOM   1524 N N   . LEU   A 1 181 ? -31.044 -1.481  -21.380 1.00 10.79 ? 187 LEU   B N   1 
ATOM   1525 C CA  . LEU   A 1 181 ? -29.802 -2.265  -21.191 1.00 10.73 ? 187 LEU   B CA  1 
ATOM   1526 C C   . LEU   A 1 181 ? -28.665 -1.475  -21.836 1.00 11.07 ? 187 LEU   B C   1 
ATOM   1527 O O   . LEU   A 1 181 ? -28.850 -0.976  -22.967 1.00 13.07 ? 187 LEU   B O   1 
ATOM   1528 C CB  . LEU   A 1 181 ? -29.969 -3.623  -21.831 1.00 10.24 ? 187 LEU   B CB  1 
ATOM   1529 C CG  . LEU   A 1 181 ? -30.988 -4.576  -21.187 1.00 11.33 ? 187 LEU   B CG  1 
ATOM   1530 C CD1 . LEU   A 1 181 ? -31.138 -5.858  -22.004 1.00 12.36 ? 187 LEU   B CD1 1 
ATOM   1531 C CD2 . LEU   A 1 181 ? -30.596 -4.942  -19.767 1.00 13.61 ? 187 LEU   B CD2 1 
ATOM   1532 N N   . LYS   A 1 182 ? -27.517 -1.393  -21.159 1.00 11.34 ? 188 LYS   B N   1 
ATOM   1533 C CA  . LYS   A 1 182 ? -26.369 -0.646  -21.715 1.00 11.97 ? 188 LYS   B CA  1 
ATOM   1534 C C   . LYS   A 1 182 ? -25.136 -1.521  -21.683 1.00 12.31 ? 188 LYS   B C   1 
ATOM   1535 O O   . LYS   A 1 182 ? -24.802 -2.062  -20.598 1.00 12.70 ? 188 LYS   B O   1 
ATOM   1536 C CB  . LYS   A 1 182 ? -26.104 0.657   -20.950 1.00 13.93 ? 188 LYS   B CB  1 
ATOM   1537 C CG  . LYS   A 1 182 ? -27.275 1.591   -20.718 1.00 17.38 ? 188 LYS   B CG  1 
ATOM   1538 C CD  . LYS   A 1 182 ? -26.842 2.901   -20.027 1.00 21.86 ? 188 LYS   B CD  1 
ATOM   1539 C CE  . LYS   A 1 182 ? -27.989 3.803   -19.650 1.00 26.29 ? 188 LYS   B CE  1 
ATOM   1540 N NZ  . LYS   A 1 182 ? -27.471 5.022   -18.971 1.00 31.63 ? 188 LYS   B NZ  1 
ATOM   1541 N N   . LEU   A 1 183 ? -24.385 -1.550  -22.753 1.00 12.42 ? 189 LEU   B N   1 
ATOM   1542 C CA  . LEU   A 1 183 ? -23.041 -2.205  -22.755 1.00 12.84 ? 189 LEU   B CA  1 
ATOM   1543 C C   . LEU   A 1 183 ? -22.064 -1.266  -22.052 1.00 14.09 ? 189 LEU   B C   1 
ATOM   1544 O O   . LEU   A 1 183 ? -21.885 -0.122  -22.552 1.00 17.50 ? 189 LEU   B O   1 
ATOM   1545 C CB  . LEU   A 1 183 ? -22.664 -2.579  -24.190 1.00 13.57 ? 189 LEU   B CB  1 
ATOM   1546 C CG  . LEU   A 1 183 ? -23.406 -3.822  -24.690 1.00 14.50 ? 189 LEU   B CG  1 
ATOM   1547 C CD1 . LEU   A 1 183 ? -23.596 -3.897  -26.200 1.00 19.26 ? 189 LEU   B CD1 1 
ATOM   1548 C CD2 . LEU   A 1 183 ? -22.789 -5.099  -24.091 1.00 12.98 ? 189 LEU   B CD2 1 
ATOM   1549 N N   . CYS   A 1 184 ? -21.402 -1.732  -21.007 1.00 14.49 ? 190 CYS   B N   1 
ATOM   1550 C CA  . CYS   A 1 184 ? -20.505 -0.886  -20.163 1.00 17.07 ? 190 CYS   B CA  1 
ATOM   1551 C C   . CYS   A 1 184 ? -19.150 -0.771  -20.815 1.00 19.70 ? 190 CYS   B C   1 
ATOM   1552 O O   . CYS   A 1 184 ? -18.651 -1.694  -21.423 1.00 19.65 ? 190 CYS   B O   1 
ATOM   1553 C CB  . CYS   A 1 184 ? -20.213 -1.583  -18.858 1.00 18.59 ? 190 CYS   B CB  1 
ATOM   1554 S SG  . CYS   A 1 184 ? -21.674 -2.046  -17.943 1.00 20.80 ? 190 CYS   B SG  1 
ATOM   1555 N N   . PRO   A 1 185 ? -18.482 0.385   -20.639 1.00 23.75 ? 191 PRO   B N   1 
ATOM   1556 C CA  . PRO   A 1 185 ? -17.136 0.563   -21.136 1.00 27.54 ? 191 PRO   B CA  1 
ATOM   1557 C C   . PRO   A 1 185 ? -16.164 -0.408  -20.464 1.00 27.91 ? 191 PRO   B C   1 
ATOM   1558 O O   . PRO   A 1 185 ? -16.329 -0.696  -19.304 1.00 27.75 ? 191 PRO   B O   1 
ATOM   1559 C CB  . PRO   A 1 185 ? -16.840 2.039   -20.787 1.00 26.36 ? 191 PRO   B CB  1 
ATOM   1560 C CG  . PRO   A 1 185 ? -17.796 2.413   -19.699 1.00 29.13 ? 191 PRO   B CG  1 
ATOM   1561 C CD  . PRO   A 1 185 ? -19.026 1.581   -19.975 1.00 26.33 ? 191 PRO   B CD  1 
ATOM   1562 N N   . LEU   A 1 186 ? -15.210 -0.870  -21.259 1.00 31.87 ? 192 LEU   B N   1 
ATOM   1563 C CA  . LEU   A 1 186 ? -13.956 -1.567  -20.880 1.00 37.77 ? 192 LEU   B CA  1 
ATOM   1564 C C   . LEU   A 1 186 ? -13.086 -0.664  -20.003 1.00 40.83 ? 192 LEU   B C   1 
ATOM   1565 O O   . LEU   A 1 186 ? -12.305 -1.257  -19.253 1.00 46.79 ? 192 LEU   B O   1 
ATOM   1566 C CB  . LEU   A 1 186 ? -13.194 -1.897  -22.169 1.00 39.54 ? 192 LEU   B CB  1 
HETATM 1567 C C1  . EDO   B 2 .   ? -45.672 -3.418  -23.024 1.00 26.57 ? 201 EDO   B C1  1 
HETATM 1568 O O1  . EDO   B 2 .   ? -44.286 -3.203  -23.215 1.00 20.14 ? 201 EDO   B O1  1 
HETATM 1569 C C2  . EDO   B 2 .   ? -46.381 -4.116  -24.121 1.00 34.32 ? 201 EDO   B C2  1 
HETATM 1570 O O2  . EDO   B 2 .   ? -46.195 -3.449  -25.345 1.00 40.32 ? 201 EDO   B O2  1 
HETATM 1571 N N1  . A1BFH C 3 .   ? -41.520 -17.268 -23.527 0.68 25.83 ? 202 A1BFH B N1  1 
HETATM 1572 C C4  . A1BFH C 3 .   ? -42.054 -14.940 -22.892 0.68 23.43 ? 202 A1BFH B C4  1 
HETATM 1573 C C5  . A1BFH C 3 .   ? -41.609 -13.653 -22.791 0.68 21.63 ? 202 A1BFH B C5  1 
HETATM 1574 C C6  . A1BFH C 3 .   ? -41.304 -11.539 -22.208 0.68 21.01 ? 202 A1BFH B C6  1 
HETATM 1575 C C7  . A1BFH C 3 .   ? -40.308 -13.302 -23.095 0.68 21.79 ? 202 A1BFH B C7  1 
HETATM 1576 C C8  . A1BFH C 3 .   ? -39.400 -14.227 -23.525 0.68 21.96 ? 202 A1BFH B C8  1 
HETATM 1577 C C10 . A1BFH C 3 .   ? -38.827 -16.587 -24.121 0.68 21.53 ? 202 A1BFH B C10 1 
HETATM 1578 C C1  . A1BFH C 3 .   ? -42.825 -19.292 -23.480 0.68 29.89 ? 202 A1BFH B C1  1 
HETATM 1579 C C2  . A1BFH C 3 .   ? -42.461 -17.974 -22.860 0.68 29.06 ? 202 A1BFH B C2  1 
HETATM 1580 C C3  . A1BFH C 3 .   ? -41.134 -15.914 -23.333 0.68 23.71 ? 202 A1BFH B C3  1 
HETATM 1581 C C9  . A1BFH C 3 .   ? -39.816 -15.558 -23.648 0.68 22.44 ? 202 A1BFH B C9  1 
HETATM 1582 O O1  . A1BFH C 3 .   ? -42.979 -17.585 -21.821 0.68 30.05 ? 202 A1BFH B O1  1 
HETATM 1583 O O2  . A1BFH C 3 .   ? -42.308 -12.537 -22.414 0.68 20.24 ? 202 A1BFH B O2  1 
HETATM 1584 O O3  . A1BFH C 3 .   ? -40.119 -11.951 -22.891 0.68 19.86 ? 202 A1BFH B O3  1 
HETATM 1585 N N1  . EPE   D 4 .   ? -38.892 -15.537 -19.155 0.68 17.24 ? 203 EPE   B N1  1 
HETATM 1586 C C2  . EPE   D 4 .   ? -38.673 -14.754 -20.387 0.68 17.04 ? 203 EPE   B C2  1 
HETATM 1587 C C3  . EPE   D 4 .   ? -38.791 -13.263 -20.149 0.68 15.49 ? 203 EPE   B C3  1 
HETATM 1588 N N4  . EPE   D 4 .   ? -37.893 -12.792 -19.083 0.68 14.07 ? 203 EPE   B N4  1 
HETATM 1589 C C5  . EPE   D 4 .   ? -38.092 -13.603 -17.870 0.68 14.42 ? 203 EPE   B C5  1 
HETATM 1590 C C6  . EPE   D 4 .   ? -37.947 -15.071 -18.145 0.68 16.92 ? 203 EPE   B C6  1 
HETATM 1591 C C7  . EPE   D 4 .   ? -38.066 -11.381 -18.744 0.68 14.36 ? 203 EPE   B C7  1 
HETATM 1592 C C8  . EPE   D 4 .   ? -37.799 -10.404 -19.855 0.68 13.63 ? 203 EPE   B C8  1 
HETATM 1593 O O8  . EPE   D 4 .   ? -38.886 -10.322 -20.763 0.68 13.63 ? 203 EPE   B O8  1 
HETATM 1594 C C9  . EPE   D 4 .   ? -38.677 -16.989 -19.391 0.68 19.32 ? 203 EPE   B C9  1 
HETATM 1595 C C10 . EPE   D 4 .   ? -39.814 -17.682 -20.129 0.68 19.20 ? 203 EPE   B C10 1 
HETATM 1596 S S   . EPE   D 4 .   ? -39.467 -19.379 -20.536 0.68 19.83 ? 203 EPE   B S   1 
HETATM 1597 O O1S . EPE   D 4 .   ? -40.515 -19.759 -21.433 0.68 20.22 ? 203 EPE   B O1S 1 
HETATM 1598 O O2S . EPE   D 4 .   ? -38.143 -19.377 -21.102 0.68 19.57 ? 203 EPE   B O2S 1 
HETATM 1599 O O3S . EPE   D 4 .   ? -39.587 -20.082 -19.179 0.68 22.55 ? 203 EPE   B O3S 1 
HETATM 1600 C C1  . EDO   E 2 .   ? -50.613 -16.885 -33.138 1.00 39.25 ? 204 EDO   B C1  1 
HETATM 1601 O O1  . EDO   E 2 .   ? -49.315 -16.321 -33.110 1.00 33.88 ? 204 EDO   B O1  1 
HETATM 1602 C C2  . EDO   E 2 .   ? -51.135 -17.241 -31.808 1.00 38.93 ? 204 EDO   B C2  1 
HETATM 1603 O O2  . EDO   E 2 .   ? -51.119 -16.159 -30.915 1.00 47.40 ? 204 EDO   B O2  1 
HETATM 1604 S S   . SO4   F 5 .   ? -40.447 -24.618 -26.331 1.00 40.38 ? 205 SO4   B S   1 
HETATM 1605 O O1  . SO4   F 5 .   ? -39.751 -23.633 -27.091 1.00 23.73 ? 205 SO4   B O1  1 
HETATM 1606 O O2  . SO4   F 5 .   ? -41.329 -25.350 -27.191 1.00 47.04 ? 205 SO4   B O2  1 
HETATM 1607 O O3  . SO4   F 5 .   ? -39.469 -25.520 -25.743 1.00 45.97 ? 205 SO4   B O3  1 
HETATM 1608 O O4  . SO4   F 5 .   ? -41.213 -24.015 -25.263 1.00 42.62 ? 205 SO4   B O4  1 
HETATM 1609 O O   . HOH   G 6 .   ? -33.765 4.945   -16.854 1.00 42.57 ? 301 HOH   B O   1 
HETATM 1610 O O   . HOH   G 6 .   ? -38.682 -15.372 -11.603 1.00 34.75 ? 302 HOH   B O   1 
HETATM 1611 O O   . HOH   G 6 .   ? -45.637 3.674   -34.048 1.00 20.38 ? 303 HOH   B O   1 
HETATM 1612 O O   . HOH   G 6 .   ? -26.926 -28.514 -27.785 1.00 25.03 ? 304 HOH   B O   1 
HETATM 1613 O O   . HOH   G 6 .   ? -13.501 -23.515 -31.528 1.00 14.70 ? 305 HOH   B O   1 
HETATM 1614 O O   . HOH   G 6 .   ? -44.995 7.529   -24.628 1.00 33.75 ? 306 HOH   B O   1 
HETATM 1615 O O   . HOH   G 6 .   ? -18.718 -22.004 -35.748 1.00 16.75 ? 307 HOH   B O   1 
HETATM 1616 O O   . HOH   G 6 .   ? -22.724 -1.810  -9.700  1.00 28.08 ? 308 HOH   B O   1 
HETATM 1617 O O   . HOH   G 6 .   ? -9.483  -18.579 -30.307 1.00 46.07 ? 309 HOH   B O   1 
HETATM 1618 O O   . HOH   G 6 .   ? -29.478 -12.451 -37.715 1.00 23.98 ? 310 HOH   B O   1 
HETATM 1619 O O   . HOH   G 6 .   ? -40.102 -1.098  -9.728  1.00 30.89 ? 311 HOH   B O   1 
HETATM 1620 O O   . HOH   G 6 .   ? -15.541 -5.330  -13.732 1.00 30.78 ? 312 HOH   B O   1 
HETATM 1621 O O   . HOH   G 6 .   ? -47.111 -16.795 -31.904 1.00 19.51 ? 313 HOH   B O   1 
HETATM 1622 O O   . HOH   G 6 .   ? -32.952 1.102   -33.463 1.00 18.74 ? 314 HOH   B O   1 
HETATM 1623 O O   . HOH   G 6 .   ? -26.104 3.521   -35.247 1.00 35.19 ? 315 HOH   B O   1 
HETATM 1624 O O   . HOH   G 6 .   ? -8.942  -13.441 -25.182 1.00 35.23 ? 316 HOH   B O   1 
HETATM 1625 O O   . HOH   G 6 .   ? -38.478 0.528   -11.758 1.00 33.37 ? 317 HOH   B O   1 
HETATM 1626 O O   . HOH   G 6 .   ? -35.971 -22.599 -19.561 1.00 27.36 ? 318 HOH   B O   1 
HETATM 1627 O O   . HOH   G 6 .   ? -45.476 0.096   -11.746 1.00 21.32 ? 319 HOH   B O   1 
HETATM 1628 O O   . HOH   G 6 .   ? -38.036 2.772   -22.676 1.00 19.98 ? 320 HOH   B O   1 
HETATM 1629 O O   . HOH   G 6 .   ? -36.818 -16.245 -39.453 1.00 28.46 ? 321 HOH   B O   1 
HETATM 1630 O O   . HOH   G 6 .   ? -24.614 -30.881 -21.913 1.00 34.19 ? 322 HOH   B O   1 
HETATM 1631 O O   . HOH   G 6 .   ? -35.684 -19.214 -30.510 1.00 26.45 ? 323 HOH   B O   1 
HETATM 1632 O O   . HOH   G 6 .   ? -37.311 -25.469 -11.363 1.00 36.16 ? 324 HOH   B O   1 
HETATM 1633 O O   . HOH   G 6 .   ? -36.693 -23.083 -30.743 1.00 32.48 ? 325 HOH   B O   1 
HETATM 1634 O O   . HOH   G 6 .   ? -30.788 -6.704  -11.257 1.00 13.89 ? 326 HOH   B O   1 
HETATM 1635 O O   . HOH   G 6 .   ? -13.622 -20.986 -35.181 1.00 28.94 ? 327 HOH   B O   1 
HETATM 1636 O O   . HOH   G 6 .   ? -19.321 -29.759 -15.658 1.00 29.08 ? 328 HOH   B O   1 
HETATM 1637 O O   . HOH   G 6 .   ? -12.693 -21.222 -18.663 1.00 28.21 ? 329 HOH   B O   1 
HETATM 1638 O O   . HOH   G 6 .   ? -47.155 1.335   -25.561 1.00 31.74 ? 330 HOH   B O   1 
HETATM 1639 O O   . HOH   G 6 .   ? -17.593 -21.332 -12.384 1.00 18.96 ? 331 HOH   B O   1 
HETATM 1640 O O   . HOH   G 6 .   ? -32.839 -18.318 -37.193 1.00 32.66 ? 332 HOH   B O   1 
HETATM 1641 O O   . HOH   G 6 .   ? -36.628 -26.242 -23.781 1.00 34.76 ? 333 HOH   B O   1 
HETATM 1642 O O   . HOH   G 6 .   ? -16.706 -5.562  -9.308  1.00 32.82 ? 334 HOH   B O   1 
HETATM 1643 O O   . HOH   G 6 .   ? -38.561 -7.663  -10.723 1.00 15.01 ? 335 HOH   B O   1 
HETATM 1644 O O   . HOH   G 6 .   ? -49.749 -1.770  -19.318 1.00 23.90 ? 336 HOH   B O   1 
HETATM 1645 O O   . HOH   G 6 .   ? -16.165 -19.563 -15.620 1.00 25.01 ? 337 HOH   B O   1 
HETATM 1646 O O   . HOH   G 6 .   ? -43.030 -15.380 -10.106 1.00 20.42 ? 338 HOH   B O   1 
HETATM 1647 O O   . HOH   G 6 .   ? -30.843 -20.346 -21.273 1.00 12.15 ? 339 HOH   B O   1 
HETATM 1648 O O   . HOH   G 6 .   ? -9.460  -20.756 -28.948 1.00 42.59 ? 340 HOH   B O   1 
HETATM 1649 O O   . HOH   G 6 .   ? -17.533 -27.646 -19.612 1.00 20.02 ? 341 HOH   B O   1 
HETATM 1650 O O   . HOH   G 6 .   ? -25.902 -22.698 -35.678 1.00 26.08 ? 342 HOH   B O   1 
HETATM 1651 O O   . HOH   G 6 .   ? -30.695 1.077   -17.007 1.00 26.93 ? 343 HOH   B O   1 
HETATM 1652 O O   . HOH   G 6 .   ? -36.224 5.474   -15.757 1.00 24.89 ? 344 HOH   B O   1 
HETATM 1653 O O   . HOH   G 6 .   ? -17.893 -19.820 -37.442 1.00 28.43 ? 345 HOH   B O   1 
HETATM 1654 O O   . HOH   G 6 .   ? -18.491 -4.614  -24.658 1.00 17.28 ? 346 HOH   B O   1 
HETATM 1655 O O   . HOH   G 6 .   ? -38.785 -2.472  -21.337 1.00 14.36 ? 347 HOH   B O   1 
HETATM 1656 O O   . HOH   G 6 .   ? -26.528 1.969   -11.039 1.00 26.87 ? 348 HOH   B O   1 
HETATM 1657 O O   . HOH   G 6 .   ? -38.382 3.643   -42.235 1.00 25.76 ? 349 HOH   B O   1 
HETATM 1658 O O   . HOH   G 6 .   ? -40.951 -9.377  -36.697 1.00 28.35 ? 350 HOH   B O   1 
HETATM 1659 O O   . HOH   G 6 .   ? -34.165 -21.977 -31.312 1.00 19.35 ? 351 HOH   B O   1 
HETATM 1660 O O   . HOH   G 6 .   ? -45.276 -12.277 -26.754 1.00 31.70 ? 352 HOH   B O   1 
HETATM 1661 O O   . HOH   G 6 .   ? -42.211 -3.911  -39.362 1.00 21.15 ? 353 HOH   B O   1 
HETATM 1662 O O   . HOH   G 6 .   ? -27.776 -27.460 -25.784 1.00 27.62 ? 354 HOH   B O   1 
HETATM 1663 O O   . HOH   G 6 .   ? -40.754 -14.522 -8.354  1.00 27.37 ? 355 HOH   B O   1 
HETATM 1664 O O   . HOH   G 6 .   ? -30.245 -23.951 -33.895 1.00 24.61 ? 356 HOH   B O   1 
HETATM 1665 O O   . HOH   G 6 .   ? -28.371 -21.612 -8.836  1.00 18.81 ? 357 HOH   B O   1 
HETATM 1666 O O   . HOH   G 6 .   ? -26.534 -25.767 -16.367 1.00 17.31 ? 358 HOH   B O   1 
HETATM 1667 O O   . HOH   G 6 .   ? -19.374 -4.302  -22.023 1.00 15.14 ? 359 HOH   B O   1 
HETATM 1668 O O   . HOH   G 6 .   ? -10.342 -23.555 -21.731 1.00 29.69 ? 360 HOH   B O   1 
HETATM 1669 O O   . HOH   G 6 .   ? -23.929 1.187   -10.743 1.00 32.55 ? 361 HOH   B O   1 
HETATM 1670 O O   . HOH   G 6 .   ? -20.912 -16.318 -5.483  1.00 18.00 ? 362 HOH   B O   1 
HETATM 1671 O O   . HOH   G 6 .   ? -25.303 -14.239 -3.415  1.00 32.51 ? 363 HOH   B O   1 
HETATM 1672 O O   . HOH   G 6 .   ? -23.329 4.346   -24.573 1.00 25.39 ? 364 HOH   B O   1 
HETATM 1673 O O   . HOH   G 6 .   ? -10.830 -21.166 -25.063 1.00 29.60 ? 365 HOH   B O   1 
HETATM 1674 O O   . HOH   G 6 .   ? -42.583 -5.808  -12.255 1.00 21.31 ? 366 HOH   B O   1 
HETATM 1675 O O   . HOH   G 6 .   ? -15.068 -19.732 -37.494 1.00 26.68 ? 367 HOH   B O   1 
HETATM 1676 O O   . HOH   G 6 .   ? -40.262 -14.374 -31.421 1.00 13.54 ? 368 HOH   B O   1 
HETATM 1677 O O   . HOH   G 6 .   ? -39.847 6.293   -26.175 1.00 43.31 ? 369 HOH   B O   1 
HETATM 1678 O O   . HOH   G 6 .   ? -36.241 -1.841  -33.826 1.00 18.93 ? 370 HOH   B O   1 
HETATM 1679 O O   . HOH   G 6 .   ? -19.766 1.844   -30.453 1.00 30.13 ? 371 HOH   B O   1 
HETATM 1680 O O   . HOH   G 6 .   ? -35.842 -3.806  -9.991  1.00 45.83 ? 372 HOH   B O   1 
HETATM 1681 O O   . HOH   G 6 .   ? -26.683 -17.591 -7.694  1.00 15.85 ? 373 HOH   B O   1 
HETATM 1682 O O   . HOH   G 6 .   ? -36.516 -0.975  -22.050 1.00 13.43 ? 374 HOH   B O   1 
HETATM 1683 O O   . HOH   G 6 .   ? -23.288 2.300   -22.950 1.00 29.11 ? 375 HOH   B O   1 
HETATM 1684 O O   . HOH   G 6 .   ? -27.128 -20.223 -6.921  1.00 16.95 ? 376 HOH   B O   1 
HETATM 1685 O O   . HOH   G 6 .   ? -33.434 -1.862  -38.358 1.00 25.06 ? 377 HOH   B O   1 
HETATM 1686 O O   . HOH   G 6 .   ? -45.701 -19.649 -31.619 1.00 24.96 ? 378 HOH   B O   1 
HETATM 1687 O O   . HOH   G 6 .   ? -17.867 -4.370  -5.940  1.00 38.26 ? 379 HOH   B O   1 
HETATM 1688 O O   . HOH   G 6 .   ? -24.259 -4.129  -36.771 1.00 36.06 ? 380 HOH   B O   1 
HETATM 1689 O O   . HOH   G 6 .   ? -35.495 -4.603  -42.118 1.00 21.96 ? 381 HOH   B O   1 
HETATM 1690 O O   . HOH   G 6 .   ? -45.770 -14.718 -27.571 1.00 32.44 ? 382 HOH   B O   1 
HETATM 1691 O O   . HOH   G 6 .   ? -32.304 -5.016  -12.853 1.00 13.18 ? 383 HOH   B O   1 
HETATM 1692 O O   . HOH   G 6 .   ? -23.940 -12.380 -6.536  1.00 18.88 ? 384 HOH   B O   1 
HETATM 1693 O O   . HOH   G 6 .   ? -12.835 -18.426 -34.804 1.00 36.05 ? 385 HOH   B O   1 
HETATM 1694 O O   . HOH   G 6 .   ? -41.046 -5.990  -38.018 1.00 27.09 ? 386 HOH   B O   1 
HETATM 1695 O O   . HOH   G 6 .   ? -34.015 -21.805 -36.578 1.00 40.45 ? 387 HOH   B O   1 
HETATM 1696 O O   . HOH   G 6 .   ? -41.756 1.555   -22.467 1.00 31.40 ? 388 HOH   B O   1 
HETATM 1697 O O   . HOH   G 6 .   ? -37.015 0.822   -15.504 1.00 16.13 ? 389 HOH   B O   1 
HETATM 1698 O O   . HOH   G 6 .   ? -41.703 -9.747  -43.773 1.00 30.31 ? 390 HOH   B O   1 
HETATM 1699 O O   . HOH   G 6 .   ? -43.830 -0.583  -24.306 1.00 27.78 ? 391 HOH   B O   1 
HETATM 1700 O O   . HOH   G 6 .   ? -45.940 -4.272  -33.925 1.00 21.31 ? 392 HOH   B O   1 
HETATM 1701 O O   . HOH   G 6 .   ? -20.990 -5.823  -2.145  1.00 44.01 ? 393 HOH   B O   1 
HETATM 1702 O O   . HOH   G 6 .   ? -31.549 3.438   -26.839 1.00 22.41 ? 394 HOH   B O   1 
HETATM 1703 O O   . HOH   G 6 .   ? -25.311 -10.483 -23.537 1.00 12.24 ? 395 HOH   B O   1 
HETATM 1704 O O   . HOH   G 6 .   ? -23.992 -26.760 -16.064 1.00 21.70 ? 396 HOH   B O   1 
HETATM 1705 O O   . HOH   G 6 .   ? -19.012 -29.048 -23.386 1.00 27.27 ? 397 HOH   B O   1 
HETATM 1706 O O   . HOH   G 6 .   ? -25.741 -27.006 -23.796 1.00 16.83 ? 398 HOH   B O   1 
HETATM 1707 O O   . HOH   G 6 .   ? -33.444 -14.966 -6.914  1.00 21.64 ? 399 HOH   B O   1 
HETATM 1708 O O   . HOH   G 6 .   ? -41.436 -8.530  -13.257 1.00 18.89 ? 400 HOH   B O   1 
HETATM 1709 O O   . HOH   G 6 .   ? -39.891 2.677   -16.031 1.00 16.19 ? 401 HOH   B O   1 
HETATM 1710 O O   . HOH   G 6 .   ? -24.805 -15.022 -6.759  1.00 16.29 ? 402 HOH   B O   1 
HETATM 1711 O O   . HOH   G 6 .   ? -34.817 -9.086  -6.168  1.00 43.22 ? 403 HOH   B O   1 
HETATM 1712 O O   . HOH   G 6 .   ? -9.387  -15.955 -26.564 1.00 28.35 ? 404 HOH   B O   1 
HETATM 1713 O O   . HOH   G 6 .   ? -18.253 -17.264 -36.200 1.00 25.63 ? 405 HOH   B O   1 
HETATM 1714 O O   . HOH   G 6 .   ? -36.343 -0.266  -42.013 1.00 34.32 ? 406 HOH   B O   1 
HETATM 1715 O O   . HOH   G 6 .   ? -14.456 -16.512 -33.122 1.00 30.67 ? 407 HOH   B O   1 
HETATM 1716 O O   . HOH   G 6 .   ? -41.111 -8.883  -19.412 1.00 9.41  ? 408 HOH   B O   1 
HETATM 1717 O O   . HOH   G 6 .   ? -28.870 7.773   -30.034 1.00 30.27 ? 409 HOH   B O   1 
HETATM 1718 O O   . HOH   G 6 .   ? -15.782 -12.105 -5.700  1.00 39.14 ? 410 HOH   B O   1 
HETATM 1719 O O   . HOH   G 6 .   ? -17.953 -16.018 -6.110  1.00 23.91 ? 411 HOH   B O   1 
HETATM 1720 O O   . HOH   G 6 .   ? -38.630 3.990   -13.636 1.00 35.24 ? 412 HOH   B O   1 
HETATM 1721 O O   . HOH   G 6 .   ? -46.785 -10.740 -22.836 0.68 28.22 ? 413 HOH   B O   1 
HETATM 1722 O O   . HOH   G 6 .   ? -13.249 -6.316  -29.184 1.00 35.06 ? 414 HOH   B O   1 
HETATM 1723 O O   . HOH   G 6 .   ? -40.805 6.334   -33.110 1.00 27.93 ? 415 HOH   B O   1 
HETATM 1724 O O   . HOH   G 6 .   ? -31.068 4.068   -24.315 1.00 23.93 ? 416 HOH   B O   1 
HETATM 1725 O O   . HOH   G 6 .   ? -17.922 -11.158 -35.556 1.00 25.99 ? 417 HOH   B O   1 
HETATM 1726 O O   . HOH   G 6 .   ? -52.442 -14.208 -29.012 1.00 41.89 ? 418 HOH   B O   1 
HETATM 1727 O O   . HOH   G 6 .   ? -24.662 -11.053 -4.119  1.00 23.97 ? 419 HOH   B O   1 
HETATM 1728 O O   . HOH   G 6 .   ? -42.409 -4.996  -43.693 1.00 22.53 ? 420 HOH   B O   1 
HETATM 1729 O O   . HOH   G 6 .   ? -41.167 5.349   -28.466 1.00 29.72 ? 421 HOH   B O   1 
HETATM 1730 O O   . HOH   G 6 .   ? -43.406 3.784   -18.794 1.00 21.24 ? 422 HOH   B O   1 
HETATM 1731 O O   . HOH   G 6 .   ? -15.940 -14.704 -8.595  1.00 36.38 ? 423 HOH   B O   1 
HETATM 1732 O O   . HOH   G 6 .   ? -25.190 6.978   -28.923 1.00 30.59 ? 424 HOH   B O   1 
HETATM 1733 O O   . HOH   G 6 .   ? -40.347 -7.481  -34.756 1.00 21.15 ? 425 HOH   B O   1 
HETATM 1734 O O   . HOH   G 6 .   ? -34.313 -7.158  -7.832  1.00 31.90 ? 426 HOH   B O   1 
HETATM 1735 O O   . HOH   G 6 .   ? -19.943 2.415   -24.022 1.00 40.92 ? 427 HOH   B O   1 
HETATM 1736 O O   . HOH   G 6 .   ? -16.008 -7.284  -11.133 1.00 33.95 ? 428 HOH   B O   1 
HETATM 1737 O O   . HOH   G 6 .   ? -32.849 -23.596 -33.442 1.00 33.33 ? 429 HOH   B O   1 
HETATM 1738 O O   . HOH   G 6 .   ? -47.726 0.000   -32.750 0.50 22.57 ? 430 HOH   B O   1 
HETATM 1739 O O   . HOH   G 6 .   ? -30.832 -17.392 -42.694 1.00 36.64 ? 431 HOH   B O   1 
HETATM 1740 O O   . HOH   G 6 .   ? -36.651 -6.628  -8.896  1.00 30.10 ? 432 HOH   B O   1 
HETATM 1741 O O   . HOH   G 6 .   ? -8.390  -22.980 -30.128 1.00 30.45 ? 433 HOH   B O   1 
HETATM 1742 O O   . HOH   G 6 .   ? -26.221 -28.213 -21.498 1.00 36.47 ? 434 HOH   B O   1 
HETATM 1743 O O   . HOH   G 6 .   ? -21.665 6.912   -32.191 1.00 31.57 ? 435 HOH   B O   1 
HETATM 1744 O O   . HOH   G 6 .   ? -40.182 5.044   -21.949 1.00 29.77 ? 436 HOH   B O   1 
HETATM 1745 O O   . HOH   G 6 .   ? -22.799 3.283   -20.524 1.00 37.71 ? 437 HOH   B O   1 
HETATM 1746 O O   . HOH   G 6 .   ? -45.732 -11.125 -20.456 1.00 34.37 ? 438 HOH   B O   1 
HETATM 1747 O O   . HOH   G 6 .   ? -38.687 -16.486 -40.911 1.00 36.74 ? 439 HOH   B O   1 
HETATM 1748 O O   . HOH   G 6 .   ? -15.849 -22.256 -14.506 1.00 28.91 ? 440 HOH   B O   1 
HETATM 1749 O O   . HOH   G 6 .   ? -28.351 -27.734 -16.838 1.00 24.46 ? 441 HOH   B O   1 
HETATM 1750 O O   . HOH   G 6 .   ? -15.966 -26.932 -17.195 1.00 35.92 ? 442 HOH   B O   1 
HETATM 1751 O O   . HOH   G 6 .   ? -26.380 -31.180 -23.957 1.00 27.25 ? 443 HOH   B O   1 
# 
