data_7HMH
# 
_entry.id   7HMH 
# 
_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   7HMH         pdb_00007hmh 10.2210/pdb7hmh/pdb 
WWPDB D_1001407659 ?            ?                   
# 
_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                        7HMH 
_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 '(2R)-N-methylmorpholine-2-carboxamide' 144.172   1   ?        ? ? ? 
4 non-polymer syn 'SULFATE ION'                           96.063    1   ?        ? ? ? 
5 water       nat water                                   18.015    145 ?        ? ? ? 
# 
_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 '(2R)-N-methylmorpholine-2-carboxamide' A1BFJ 
4 'SULFATE ION'                           SO4   
5 water                                   HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   HIS n 
1 3   HIS n 
1 4   HIS n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   MET n 
1 9   VAL n 
1 10  HIS n 
1 11  ILE n 
1 12  THR n 
1 13  LEU n 
1 14  ASP n 
1 15  ARG n 
1 16  ASN n 
1 17  THR n 
1 18  ALA n 
1 19  ASN n 
1 20  SER n 
1 21  TRP n 
1 22  LEU n 
1 23  ILE n 
1 24  ILE n 
1 25  SER n 
1 26  LYS n 
1 27  ASP n 
1 28  ARG n 
1 29  ARG n 
1 30  GLN n 
1 31  VAL n 
1 32  ARG n 
1 33  MET n 
1 34  GLY n 
1 35  ASP n 
1 36  THR n 
1 37  HIS n 
1 38  GLN n 
1 39  ASN n 
1 40  VAL n 
1 41  SER n 
1 42  ASP n 
1 43  ASN n 
1 44  LYS n 
1 45  GLU n 
1 46  ARG n 
1 47  PHE n 
1 48  SER n 
1 49  ASN n 
1 50  TYR n 
1 51  PRO n 
1 52  MET n 
1 53  VAL n 
1 54  LEU n 
1 55  GLY n 
1 56  ALA n 
1 57  GLN n 
1 58  ARG n 
1 59  PHE n 
1 60  SER n 
1 61  SER n 
1 62  GLY n 
1 63  LYS n 
1 64  MET n 
1 65  TYR n 
1 66  TRP n 
1 67  GLU n 
1 68  VAL n 
1 69  ASP n 
1 70  VAL n 
1 71  THR n 
1 72  GLN n 
1 73  LYS n 
1 74  GLU n 
1 75  ALA n 
1 76  TRP n 
1 77  ASP n 
1 78  LEU n 
1 79  GLY n 
1 80  VAL n 
1 81  CYS n 
1 82  ARG n 
1 83  ASP n 
1 84  SER n 
1 85  VAL n 
1 86  GLN n 
1 87  ARG n 
1 88  LYS n 
1 89  GLY n 
1 90  GLN n 
1 91  PHE n 
1 92  SER n 
1 93  LEU n 
1 94  SER n 
1 95  PRO n 
1 96  GLU n 
1 97  ASN n 
1 98  GLY n 
1 99  PHE n 
1 100 TRP n 
1 101 THR n 
1 102 ILE n 
1 103 TRP n 
1 104 LEU n 
1 105 TRP n 
1 106 GLN n 
1 107 ASP n 
1 108 SER n 
1 109 TYR n 
1 110 GLU n 
1 111 ALA n 
1 112 GLY n 
1 113 THR n 
1 114 SER n 
1 115 PRO n 
1 116 GLN n 
1 117 THR n 
1 118 THR n 
1 119 LEU n 
1 120 HIS n 
1 121 ILE n 
1 122 GLN n 
1 123 VAL n 
1 124 PRO n 
1 125 PRO n 
1 126 CYS n 
1 127 GLN n 
1 128 ILE n 
1 129 GLY n 
1 130 ILE n 
1 131 PHE n 
1 132 VAL n 
1 133 ASP n 
1 134 TYR n 
1 135 GLU n 
1 136 ALA n 
1 137 GLY n 
1 138 VAL n 
1 139 VAL n 
1 140 SER n 
1 141 PHE n 
1 142 TYR n 
1 143 ASN n 
1 144 ILE n 
1 145 THR n 
1 146 ASP n 
1 147 HIS n 
1 148 GLY n 
1 149 SER n 
1 150 LEU n 
1 151 ILE n 
1 152 TYR n 
1 153 THR n 
1 154 PHE n 
1 155 SER n 
1 156 GLU n 
1 157 CYS n 
1 158 VAL n 
1 159 PHE n 
1 160 ALA n 
1 161 GLY n 
1 162 PRO n 
1 163 LEU n 
1 164 ARG n 
1 165 PRO n 
1 166 PHE n 
1 167 PHE n 
1 168 ASN n 
1 169 VAL n 
1 170 GLY n 
1 171 PHE n 
1 172 ASN n 
1 173 TYR n 
1 174 SER n 
1 175 GLY n 
1 176 GLY n 
1 177 ASN n 
1 178 ALA n 
1 179 ALA n 
1 180 PRO n 
1 181 LEU n 
1 182 LYS n 
1 183 LEU n 
1 184 CYS n 
1 185 PRO n 
1 186 LEU n 
1 187 LYS n 
1 188 MET n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   188 
_entity_src_gen.gene_src_common_name               'house mouse' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'Trim21, Ro52, Ssa1' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Mus musculus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     10090 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
A1BFJ non-polymer         . '(2R)-N-methylmorpholine-2-carboxamide' ?                 'C6 H12 N2 O2'   144.172 
ALA   'L-peptide linking' y ALANINE                                 ?                 'C3 H7 N O2'     89.093  
ARG   'L-peptide linking' y ARGININE                                ?                 'C6 H15 N4 O2 1' 175.209 
ASN   'L-peptide linking' y ASPARAGINE                              ?                 'C4 H8 N2 O3'    132.118 
ASP   'L-peptide linking' y 'ASPARTIC ACID'                         ?                 'C4 H7 N O4'     133.103 
CYS   'L-peptide linking' y CYSTEINE                                ?                 'C3 H7 N O2 S'   121.158 
EDO   non-polymer         . 1,2-ETHANEDIOL                          'ETHYLENE GLYCOL' 'C2 H6 O2'       62.068  
GLN   'L-peptide linking' y GLUTAMINE                               ?                 'C5 H10 N2 O3'   146.144 
GLU   'L-peptide linking' y 'GLUTAMIC ACID'                         ?                 'C5 H9 N O4'     147.129 
GLY   'peptide linking'   y GLYCINE                                 ?                 'C2 H5 N O2'     75.067  
HIS   'L-peptide linking' y HISTIDINE                               ?                 'C6 H10 N3 O2 1' 156.162 
HOH   non-polymer         . WATER                                   ?                 'H2 O'           18.015  
ILE   'L-peptide linking' y ISOLEUCINE                              ?                 'C6 H13 N O2'    131.173 
LEU   'L-peptide linking' y LEUCINE                                 ?                 'C6 H13 N O2'    131.173 
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        A1BFJ 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1BFJ 
_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 A1BFJ 1   202 302 A1BFJ LIG B . 
D 2 EDO   1   203 305 EDO   EDO B . 
E 4 SO4   1   204 1   SO4   SO4 B . 
F 5 HOH   1   301 107 HOH   HOH B . 
F 5 HOH   2   302 12  HOH   HOH B . 
F 5 HOH   3   303 11  HOH   HOH B . 
F 5 HOH   4   304 1   HOH   HOH B . 
F 5 HOH   5   305 2   HOH   HOH B . 
F 5 HOH   6   306 4   HOH   HOH B . 
F 5 HOH   7   307 26  HOH   HOH B . 
F 5 HOH   8   308 63  HOH   HOH B . 
F 5 HOH   9   309 29  HOH   HOH B . 
F 5 HOH   10  310 16  HOH   HOH B . 
F 5 HOH   11  311 40  HOH   HOH B . 
F 5 HOH   12  312 33  HOH   HOH B . 
F 5 HOH   13  313 281 HOH   HOH B . 
F 5 HOH   14  314 21  HOH   HOH B . 
F 5 HOH   15  315 99  HOH   HOH B . 
F 5 HOH   16  316 95  HOH   HOH B . 
F 5 HOH   17  317 102 HOH   HOH B . 
F 5 HOH   18  318 5   HOH   HOH B . 
F 5 HOH   19  319 34  HOH   HOH B . 
F 5 HOH   20  320 28  HOH   HOH B . 
F 5 HOH   21  321 27  HOH   HOH B . 
F 5 HOH   22  322 51  HOH   HOH B . 
F 5 HOH   23  323 80  HOH   HOH B . 
F 5 HOH   24  324 70  HOH   HOH B . 
F 5 HOH   25  325 27  HOH   HOH B . 
F 5 HOH   26  326 25  HOH   HOH B . 
F 5 HOH   27  327 90  HOH   HOH B . 
F 5 HOH   28  328 10  HOH   HOH B . 
F 5 HOH   29  329 39  HOH   HOH B . 
F 5 HOH   30  330 81  HOH   HOH B . 
F 5 HOH   31  331 16  HOH   HOH B . 
F 5 HOH   32  332 211 HOH   HOH B . 
F 5 HOH   33  333 11  HOH   HOH B . 
F 5 HOH   34  334 72  HOH   HOH B . 
F 5 HOH   35  335 32  HOH   HOH B . 
F 5 HOH   36  336 43  HOH   HOH B . 
F 5 HOH   37  337 31  HOH   HOH B . 
F 5 HOH   38  338 68  HOH   HOH B . 
F 5 HOH   39  339 89  HOH   HOH B . 
F 5 HOH   40  340 18  HOH   HOH B . 
F 5 HOH   41  341 62  HOH   HOH B . 
F 5 HOH   42  342 184 HOH   HOH B . 
F 5 HOH   43  343 36  HOH   HOH B . 
F 5 HOH   44  344 129 HOH   HOH B . 
F 5 HOH   45  345 100 HOH   HOH B . 
F 5 HOH   46  346 29  HOH   HOH B . 
F 5 HOH   47  347 85  HOH   HOH B . 
F 5 HOH   48  348 9   HOH   HOH B . 
F 5 HOH   49  349 66  HOH   HOH B . 
F 5 HOH   50  350 22  HOH   HOH B . 
F 5 HOH   51  351 58  HOH   HOH B . 
F 5 HOH   52  352 126 HOH   HOH B . 
F 5 HOH   53  353 93  HOH   HOH B . 
F 5 HOH   54  354 86  HOH   HOH B . 
F 5 HOH   55  355 33  HOH   HOH B . 
F 5 HOH   56  356 19  HOH   HOH B . 
F 5 HOH   57  357 71  HOH   HOH B . 
F 5 HOH   58  358 2   HOH   HOH B . 
F 5 HOH   59  359 26  HOH   HOH B . 
F 5 HOH   60  360 20  HOH   HOH B . 
F 5 HOH   61  361 1   HOH   HOH B . 
F 5 HOH   62  362 55  HOH   HOH B . 
F 5 HOH   63  363 64  HOH   HOH B . 
F 5 HOH   64  364 3   HOH   HOH B . 
F 5 HOH   65  365 7   HOH   HOH B . 
F 5 HOH   66  366 13  HOH   HOH B . 
F 5 HOH   67  367 50  HOH   HOH B . 
F 5 HOH   68  368 157 HOH   HOH B . 
F 5 HOH   69  369 6   HOH   HOH B . 
F 5 HOH   70  370 14  HOH   HOH B . 
F 5 HOH   71  371 76  HOH   HOH B . 
F 5 HOH   72  372 172 HOH   HOH B . 
F 5 HOH   73  373 59  HOH   HOH B . 
F 5 HOH   74  374 10  HOH   HOH B . 
F 5 HOH   75  375 304 HOH   HOH B . 
F 5 HOH   76  376 4   HOH   HOH B . 
F 5 HOH   77  377 15  HOH   HOH B . 
F 5 HOH   78  378 47  HOH   HOH B . 
F 5 HOH   79  379 267 HOH   HOH B . 
F 5 HOH   80  380 8   HOH   HOH B . 
F 5 HOH   81  381 61  HOH   HOH B . 
F 5 HOH   82  382 32  HOH   HOH B . 
F 5 HOH   83  383 264 HOH   HOH B . 
F 5 HOH   84  384 8   HOH   HOH B . 
F 5 HOH   85  385 25  HOH   HOH B . 
F 5 HOH   86  386 97  HOH   HOH B . 
F 5 HOH   87  387 3   HOH   HOH B . 
F 5 HOH   88  388 12  HOH   HOH B . 
F 5 HOH   89  389 303 HOH   HOH B . 
F 5 HOH   90  390 73  HOH   HOH B . 
F 5 HOH   91  391 257 HOH   HOH B . 
F 5 HOH   92  392 24  HOH   HOH B . 
F 5 HOH   93  393 23  HOH   HOH B . 
F 5 HOH   94  394 46  HOH   HOH B . 
F 5 HOH   95  395 48  HOH   HOH B . 
F 5 HOH   96  396 56  HOH   HOH B . 
F 5 HOH   97  397 42  HOH   HOH B . 
F 5 HOH   98  398 49  HOH   HOH B . 
F 5 HOH   99  399 125 HOH   HOH B . 
F 5 HOH   100 400 17  HOH   HOH B . 
F 5 HOH   101 401 15  HOH   HOH B . 
F 5 HOH   102 402 53  HOH   HOH B . 
F 5 HOH   103 403 57  HOH   HOH B . 
F 5 HOH   104 404 137 HOH   HOH B . 
F 5 HOH   105 405 20  HOH   HOH B . 
F 5 HOH   106 406 120 HOH   HOH B . 
F 5 HOH   107 407 44  HOH   HOH B . 
F 5 HOH   108 408 60  HOH   HOH B . 
F 5 HOH   109 409 197 HOH   HOH B . 
F 5 HOH   110 410 7   HOH   HOH B . 
F 5 HOH   111 411 41  HOH   HOH B . 
F 5 HOH   112 412 30  HOH   HOH B . 
F 5 HOH   113 413 82  HOH   HOH B . 
F 5 HOH   114 414 103 HOH   HOH B . 
F 5 HOH   115 415 18  HOH   HOH B . 
F 5 HOH   116 416 5   HOH   HOH B . 
F 5 HOH   117 417 38  HOH   HOH B . 
F 5 HOH   118 418 69  HOH   HOH B . 
F 5 HOH   119 419 45  HOH   HOH B . 
F 5 HOH   120 420 22  HOH   HOH B . 
F 5 HOH   121 421 140 HOH   HOH B . 
F 5 HOH   122 422 34  HOH   HOH B . 
F 5 HOH   123 423 54  HOH   HOH B . 
F 5 HOH   124 424 263 HOH   HOH B . 
F 5 HOH   125 425 154 HOH   HOH B . 
F 5 HOH   126 426 19  HOH   HOH B . 
F 5 HOH   127 427 112 HOH   HOH B . 
F 5 HOH   128 428 133 HOH   HOH B . 
F 5 HOH   129 429 30  HOH   HOH B . 
F 5 HOH   130 430 114 HOH   HOH B . 
F 5 HOH   131 431 266 HOH   HOH B . 
F 5 HOH   132 432 115 HOH   HOH B . 
F 5 HOH   133 433 21  HOH   HOH B . 
F 5 HOH   134 434 23  HOH   HOH B . 
F 5 HOH   135 435 13  HOH   HOH B . 
F 5 HOH   136 436 156 HOH   HOH B . 
F 5 HOH   137 437 98  HOH   HOH B . 
F 5 HOH   138 438 104 HOH   HOH B . 
F 5 HOH   139 439 166 HOH   HOH B . 
F 5 HOH   140 440 205 HOH   HOH B . 
F 5 HOH   141 441 127 HOH   HOH B . 
F 5 HOH   142 442 131 HOH   HOH B . 
F 5 HOH   143 443 14  HOH   HOH B . 
F 5 HOH   144 444 270 HOH   HOH B . 
F 5 HOH   145 445 259 HOH   HOH B . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 B LEU 192 ? CG  ? A LEU 186 CG  
2 1 Y 1 B LEU 192 ? CD1 ? A LEU 186 CD1 
3 1 Y 1 B LEU 192 ? CD2 ? A LEU 186 CD2 
# 
loop_
_software.pdbx_ordinal 
_software.name 
_software.version 
_software.date 
_software.type 
_software.contact_author 
_software.contact_author_email 
_software.classification 
_software.location 
_software.language 
_software.citation_id 
1 REFMAC      5.8.0267 ?               program 'Garib N. Murshudov' garib@ysbl.york.ac.uk    refinement        
http://www.ccp4.ac.uk/dist/html/refmac5.html        Fortran_77 ? 
2 Aimless     0.7.15   02/11/23        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           7HMH 
_cell.length_a           95.500 
_cell.length_b           95.500 
_cell.length_c           45.840 
_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                         7HMH 
_symmetry.Int_Tables_number                79 
_symmetry.space_group_name_H-M             'I 4' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.cell_setting                     ? 
# 
_exptl.crystals_number   1 
_exptl.entry_id          7HMH 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.42 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   49.17 
_exptl_crystal.size_max              ? 
_exptl_crystal.size_mid              ? 
_exptl_crystal.size_min              ? 
_exptl_crystal.size_rad              ? 
_exptl_crystal.description           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.pH              8 
_exptl_crystal_grow.temp            293 
_exptl_crystal_grow.pdbx_details    '4 % PEG 400, 2 M AmmSO4, 0.1 M HEPES pH 8' 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           100 
_diffrn.crystal_id             1 
_diffrn.ambient_temp_details   ? 
# 
_diffrn_detector.detector               PIXEL 
_diffrn_detector.type                   'DECTRIS EIGER2 XE 9M' 
_diffrn_detector.pdbx_collection_date   2024-07-10 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.92134 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'DIAMOND BEAMLINE I04-1' 
_diffrn_source.pdbx_wavelength_list        0.92134 
_diffrn_source.pdbx_synchrotron_site       Diamond 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HMH 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             41.330 
_reflns.d_resolution_high            1.500 
_reflns.number_obs                   33253 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         100.000 
_reflns.pdbx_Rmerge_I_obs            0.236 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        10.900 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              13.200 
_reflns.pdbx_Rrim_I_all              0.246 
_reflns.pdbx_Rpim_I_all              0.067 
_reflns.pdbx_CC_half                 0.997 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     438729 
_reflns.pdbx_scaling_rejects         2133 
_reflns.pdbx_chi_squared             ? 
_reflns.Rmerge_F_all                 ? 
_reflns.Rmerge_F_obs                 ? 
_reflns.observed_criterion_F_max     ? 
_reflns.observed_criterion_F_min     ? 
_reflns.observed_criterion_I_max     ? 
_reflns.observed_criterion_I_min     ? 
_reflns.pdbx_d_res_high_opt          ? 
_reflns.pdbx_d_res_low_opt           ? 
_reflns.details                      ? 
# 
loop_
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_ordinal 
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.number_measured_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_unique_obs 
_reflns_shell.pdbx_rejects 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_redundancy 
_reflns_shell.percent_possible_obs 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.Rmerge_I_all 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.percent_possible_all 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_CC_half 
1 1 1.500 1.540  ? 26065 2472 ? 3.049 ? ? ? 10.500 ? 0.800  ? ? ? ? ? ? 100.000 3.206 0.982 0.342 
1 2 6.710 41.330 ? 4758  405  ? 0.061 ? ? ? 11.700 ? 40.000 ? ? ? ? ? ? 99.700  0.064 0.019 0.980 
# 
_refine.entry_id                                 7HMH 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.5000 
_refine.ls_d_res_low                             41.3600 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    99.9500 
_refine.ls_number_reflns_obs                     31638 
_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                          0.1901 
_refine.ls_R_factor_R_work                       0.1889 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.2134 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.9000 
_refine.ls_number_reflns_R_free                  1614 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               17.5810 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.3400 
_refine.aniso_B[2][2]                            0.3400 
_refine.aniso_B[3][3]                            -0.6800 
_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               0.9650 
_refine.correlation_coeff_Fo_to_Fc_free          0.9510 
_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                       0.0820 
_refine.pdbx_overall_ESU_R_Free                  0.0810 
_refine.overall_SU_ML                            0.0620 
_refine.overall_SU_B                             1.7860 
_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                                86.850 
_refine.B_iso_min                                8.830 
_refine.pdbx_overall_phase_error                 ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.pdbx_diffrn_id                           1 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.ls_R_factor_R_free_error_details         ? 
# 
_refine_hist.cycle_id                         final 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.d_res_high                       1.5000 
_refine_hist.d_res_low                        41.3600 
_refine_hist.pdbx_number_atoms_ligand         23 
_refine_hist.number_atoms_solvent             145 
_refine_hist.number_atoms_total               1661 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           33.25 
_refine_hist.pdbx_B_iso_mean_solvent          28.00 
_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       2055 0.011  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1634 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2568 1.668  1.637  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3774 1.431  1.580  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 241  6.967  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 112  27.583 20.982 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 288  11.525 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   21.415 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         222  0.077  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2286 0.010  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     512  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            972  1.517  1.582  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         965  1.498  1.565  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1153 2.441  2.350  ? ? 
# 
_refine_ls_shell.d_res_high                       1.5000 
_refine_ls_shell.d_res_low                        1.5390 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               99.8000 
_refine_ls_shell.number_reflns_R_work             2342 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.4620 
_refine_ls_shell.R_factor_R_free                  0.4690 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             127 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                2469 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HMH 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1636723439' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HMH 
_struct_keywords.text            'SGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, TRIM21, LIGASE' 
_struct_keywords.pdbx_keywords   LIGASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 2 ? 
E N N 4 ? 
F N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    RO52_MOUSE 
_struct_ref.pdbx_db_accession          Q62191 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;VHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGVCRDSVQRK
GQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFAGPLRPFFN
VGFNYSGGNAAPLKLCPLKM
;
_struct_ref.pdbx_align_begin           291 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              7HMH 
_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 7HMH MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HMH HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HMH HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HMH HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HMH HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HMH HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HMH HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HMH MET B 8 ? UNP Q62191 ? ? 'expression tag'        14 8 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 4  ? MET A 8  ? HIS B 10  MET B 14  5 ? 5 
HELX_P HELX_P2 AA2 ARG A 15 ? ALA A 18 ? ARG B 21  ALA B 24  5 ? 4 
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       -2.44 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 7 ? 
AA2 ? 7 ? 
# 
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 
AA2 6 7 ? 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 13  ? ASP A 14  ? LEU B 19  ASP B 20  
AA1 2 MET A 52  ? GLY A 55  ? MET B 58  GLY B 61  
AA1 3 LEU A 163 ? ASN A 168 ? LEU B 169 ASN B 174 
AA1 4 TRP A 76  ? ARG A 82  ? TRP B 82  ARG B 88  
AA1 5 PHE A 99  ? TRP A 105 ? PHE B 105 TRP B 111 
AA1 6 SER A 108 ? ALA A 111 ? SER B 114 ALA B 117 
AA1 7 THR A 117 ? THR A 118 ? THR B 123 THR B 124 
AA2 1 LEU A 22  ? ILE A 24  ? LEU B 28  ILE B 30  
AA2 2 GLN A 30  ? MET A 33  ? GLN B 36  MET B 39  
AA2 3 LEU A 181 ? LEU A 183 ? LEU B 187 LEU B 189 
AA2 4 LYS A 63  ? ASP A 69  ? LYS B 69  ASP B 75  
AA2 5 GLN A 127 ? ASP A 133 ? GLN B 133 ASP B 139 
AA2 6 VAL A 138 ? ASN A 143 ? VAL B 144 ASN B 149 
AA2 7 SER A 149 ? PHE A 154 ? SER B 155 PHE B 160 
# 
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 ASP A 14  ? N ASP B 20  O LEU A 54  ? O LEU B 60  
AA1 2 3 N GLY A 55  ? N GLY B 61  O PRO A 165 ? O PRO B 171 
AA1 3 4 O ARG A 164 ? O ARG B 170 N CYS A 81  ? N CYS B 87  
AA1 4 5 N VAL A 80  ? N VAL B 86  O TRP A 100 ? O TRP B 106 
AA1 5 6 N TRP A 105 ? N TRP B 111 O SER A 108 ? O SER B 114 
AA1 6 7 N ALA A 111 ? N ALA B 117 O THR A 117 ? O THR B 123 
AA2 1 2 N ILE A 23  ? N ILE B 29  O ARG A 32  ? O ARG B 38  
AA2 2 3 N VAL A 31  ? N VAL B 37  O LEU A 181 ? O LEU B 187 
AA2 3 4 O LYS A 182 ? O LYS B 188 N ASP A 69  ? N ASP B 75  
AA2 4 5 N TRP A 66  ? N TRP B 72  O ILE A 130 ? O ILE B 136 
AA2 5 6 N PHE A 131 ? N PHE B 137 O SER A 140 ? O SER B 146 
AA2 6 7 N PHE A 141 ? N PHE B 147 O ILE A 151 ? O ILE B 157 
# 
_pdbx_entry_details.entry_id                   7HMH 
_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 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 SER B 67  ? B 179.72  160.25 
2 1 ASP B 152 ? ? -107.05 54.38  
# 
_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   F 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
_phasing.method   MR 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 B MET 7   ? A MET 1   
2 1 Y 1 B LYS 193 ? A LYS 187 
3 1 Y 1 B MET 194 ? A MET 188 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
A1BFJ N1   N N N 1   
A1BFJ C4   C N N 2   
A1BFJ C5   C N N 3   
A1BFJ C6   C N N 4   
A1BFJ C1   C N N 5   
A1BFJ C2   C N N 6   
A1BFJ C3   C N R 7   
A1BFJ N2   N N N 8   
A1BFJ O1   O N N 9   
A1BFJ O2   O N N 10  
A1BFJ H4   H N N 11  
A1BFJ H7   H N N 12  
A1BFJ H6   H N N 13  
A1BFJ H10  H N N 14  
A1BFJ H9   H N N 15  
A1BFJ H12  H N N 16  
A1BFJ H11  H N N 17  
A1BFJ H2   H N N 18  
A1BFJ H3   H N N 19  
A1BFJ H1   H N N 20  
A1BFJ H5   H N N 21  
A1BFJ H13  H N N 22  
ALA   N    N N N 23  
ALA   CA   C N S 24  
ALA   C    C N N 25  
ALA   O    O N N 26  
ALA   CB   C N N 27  
ALA   OXT  O N N 28  
ALA   H    H N N 29  
ALA   H2   H N N 30  
ALA   HA   H N N 31  
ALA   HB1  H N N 32  
ALA   HB2  H N N 33  
ALA   HB3  H N N 34  
ALA   HXT  H N N 35  
ARG   N    N N N 36  
ARG   CA   C N S 37  
ARG   C    C N N 38  
ARG   O    O N N 39  
ARG   CB   C N N 40  
ARG   CG   C N N 41  
ARG   CD   C N N 42  
ARG   NE   N N N 43  
ARG   CZ   C N N 44  
ARG   NH1  N N N 45  
ARG   NH2  N N N 46  
ARG   OXT  O N N 47  
ARG   H    H N N 48  
ARG   H2   H N N 49  
ARG   HA   H N N 50  
ARG   HB2  H N N 51  
ARG   HB3  H N N 52  
ARG   HG2  H N N 53  
ARG   HG3  H N N 54  
ARG   HD2  H N N 55  
ARG   HD3  H N N 56  
ARG   HE   H N N 57  
ARG   HH11 H N N 58  
ARG   HH12 H N N 59  
ARG   HH21 H N N 60  
ARG   HH22 H N N 61  
ARG   HXT  H N N 62  
ASN   N    N N N 63  
ASN   CA   C N S 64  
ASN   C    C N N 65  
ASN   O    O N N 66  
ASN   CB   C N N 67  
ASN   CG   C N N 68  
ASN   OD1  O N N 69  
ASN   ND2  N N N 70  
ASN   OXT  O N N 71  
ASN   H    H N N 72  
ASN   H2   H N N 73  
ASN   HA   H N N 74  
ASN   HB2  H N N 75  
ASN   HB3  H N N 76  
ASN   HD21 H N N 77  
ASN   HD22 H N N 78  
ASN   HXT  H N N 79  
ASP   N    N N N 80  
ASP   CA   C N S 81  
ASP   C    C N N 82  
ASP   O    O N N 83  
ASP   CB   C N N 84  
ASP   CG   C N N 85  
ASP   OD1  O N N 86  
ASP   OD2  O N N 87  
ASP   OXT  O N N 88  
ASP   H    H N N 89  
ASP   H2   H N N 90  
ASP   HA   H N N 91  
ASP   HB2  H N N 92  
ASP   HB3  H N N 93  
ASP   HD2  H N N 94  
ASP   HXT  H N N 95  
CYS   N    N N N 96  
CYS   CA   C N R 97  
CYS   C    C N N 98  
CYS   O    O N N 99  
CYS   CB   C N N 100 
CYS   SG   S N N 101 
CYS   OXT  O N N 102 
CYS   H    H N N 103 
CYS   H2   H N N 104 
CYS   HA   H N N 105 
CYS   HB2  H N N 106 
CYS   HB3  H N N 107 
CYS   HG   H N N 108 
CYS   HXT  H N N 109 
EDO   C1   C N N 110 
EDO   O1   O N N 111 
EDO   C2   C N N 112 
EDO   O2   O N N 113 
EDO   H11  H N N 114 
EDO   H12  H N N 115 
EDO   HO1  H N N 116 
EDO   H21  H N N 117 
EDO   H22  H N N 118 
EDO   HO2  H N N 119 
GLN   N    N N N 120 
GLN   CA   C N S 121 
GLN   C    C N N 122 
GLN   O    O N N 123 
GLN   CB   C N N 124 
GLN   CG   C N N 125 
GLN   CD   C N N 126 
GLN   OE1  O N N 127 
GLN   NE2  N N N 128 
GLN   OXT  O N N 129 
GLN   H    H N N 130 
GLN   H2   H N N 131 
GLN   HA   H N N 132 
GLN   HB2  H N N 133 
GLN   HB3  H N N 134 
GLN   HG2  H N N 135 
GLN   HG3  H N N 136 
GLN   HE21 H N N 137 
GLN   HE22 H N N 138 
GLN   HXT  H N N 139 
GLU   N    N N N 140 
GLU   CA   C N S 141 
GLU   C    C N N 142 
GLU   O    O N N 143 
GLU   CB   C N N 144 
GLU   CG   C N N 145 
GLU   CD   C N N 146 
GLU   OE1  O N N 147 
GLU   OE2  O N N 148 
GLU   OXT  O N N 149 
GLU   H    H N N 150 
GLU   H2   H N N 151 
GLU   HA   H N N 152 
GLU   HB2  H N N 153 
GLU   HB3  H N N 154 
GLU   HG2  H N N 155 
GLU   HG3  H N N 156 
GLU   HE2  H N N 157 
GLU   HXT  H N N 158 
GLY   N    N N N 159 
GLY   CA   C N N 160 
GLY   C    C N N 161 
GLY   O    O N N 162 
GLY   OXT  O N N 163 
GLY   H    H N N 164 
GLY   H2   H N N 165 
GLY   HA2  H N N 166 
GLY   HA3  H N N 167 
GLY   HXT  H N N 168 
HIS   N    N N N 169 
HIS   CA   C N S 170 
HIS   C    C N N 171 
HIS   O    O N N 172 
HIS   CB   C N N 173 
HIS   CG   C Y N 174 
HIS   ND1  N Y N 175 
HIS   CD2  C Y N 176 
HIS   CE1  C Y N 177 
HIS   NE2  N Y N 178 
HIS   OXT  O N N 179 
HIS   H    H N N 180 
HIS   H2   H N N 181 
HIS   HA   H N N 182 
HIS   HB2  H N N 183 
HIS   HB3  H N N 184 
HIS   HD1  H N N 185 
HIS   HD2  H N N 186 
HIS   HE1  H N N 187 
HIS   HE2  H N N 188 
HIS   HXT  H N N 189 
HOH   O    O N N 190 
HOH   H1   H N N 191 
HOH   H2   H N N 192 
ILE   N    N N N 193 
ILE   CA   C N S 194 
ILE   C    C N N 195 
ILE   O    O N N 196 
ILE   CB   C N S 197 
ILE   CG1  C N N 198 
ILE   CG2  C N N 199 
ILE   CD1  C N N 200 
ILE   OXT  O N N 201 
ILE   H    H N N 202 
ILE   H2   H N N 203 
ILE   HA   H N N 204 
ILE   HB   H N N 205 
ILE   HG12 H N N 206 
ILE   HG13 H N N 207 
ILE   HG21 H N N 208 
ILE   HG22 H N N 209 
ILE   HG23 H N N 210 
ILE   HD11 H N N 211 
ILE   HD12 H N N 212 
ILE   HD13 H N N 213 
ILE   HXT  H N N 214 
LEU   N    N N N 215 
LEU   CA   C N S 216 
LEU   C    C N N 217 
LEU   O    O N N 218 
LEU   CB   C N N 219 
LEU   CG   C N N 220 
LEU   CD1  C N N 221 
LEU   CD2  C N N 222 
LEU   OXT  O N N 223 
LEU   H    H N N 224 
LEU   H2   H N N 225 
LEU   HA   H N N 226 
LEU   HB2  H N N 227 
LEU   HB3  H N N 228 
LEU   HG   H N N 229 
LEU   HD11 H N N 230 
LEU   HD12 H N N 231 
LEU   HD13 H N N 232 
LEU   HD21 H N N 233 
LEU   HD22 H N N 234 
LEU   HD23 H N N 235 
LEU   HXT  H N N 236 
LYS   N    N N N 237 
LYS   CA   C N S 238 
LYS   C    C N N 239 
LYS   O    O N N 240 
LYS   CB   C N N 241 
LYS   CG   C N N 242 
LYS   CD   C N N 243 
LYS   CE   C N N 244 
LYS   NZ   N N N 245 
LYS   OXT  O N N 246 
LYS   H    H N N 247 
LYS   H2   H N N 248 
LYS   HA   H N N 249 
LYS   HB2  H N N 250 
LYS   HB3  H N N 251 
LYS   HG2  H N N 252 
LYS   HG3  H N N 253 
LYS   HD2  H N N 254 
LYS   HD3  H N N 255 
LYS   HE2  H N N 256 
LYS   HE3  H N N 257 
LYS   HZ1  H N N 258 
LYS   HZ2  H N N 259 
LYS   HZ3  H N N 260 
LYS   HXT  H N N 261 
MET   N    N N N 262 
MET   CA   C N S 263 
MET   C    C N N 264 
MET   O    O N N 265 
MET   CB   C N N 266 
MET   CG   C N N 267 
MET   SD   S N N 268 
MET   CE   C N N 269 
MET   OXT  O N N 270 
MET   H    H N N 271 
MET   H2   H N N 272 
MET   HA   H N N 273 
MET   HB2  H N N 274 
MET   HB3  H N N 275 
MET   HG2  H N N 276 
MET   HG3  H N N 277 
MET   HE1  H N N 278 
MET   HE2  H N N 279 
MET   HE3  H N N 280 
MET   HXT  H N N 281 
PHE   N    N N N 282 
PHE   CA   C N S 283 
PHE   C    C N N 284 
PHE   O    O N N 285 
PHE   CB   C N N 286 
PHE   CG   C Y N 287 
PHE   CD1  C Y N 288 
PHE   CD2  C Y N 289 
PHE   CE1  C Y N 290 
PHE   CE2  C Y N 291 
PHE   CZ   C Y N 292 
PHE   OXT  O N N 293 
PHE   H    H N N 294 
PHE   H2   H N N 295 
PHE   HA   H N N 296 
PHE   HB2  H N N 297 
PHE   HB3  H N N 298 
PHE   HD1  H N N 299 
PHE   HD2  H N N 300 
PHE   HE1  H N N 301 
PHE   HE2  H N N 302 
PHE   HZ   H N N 303 
PHE   HXT  H N N 304 
PRO   N    N N N 305 
PRO   CA   C N S 306 
PRO   C    C N N 307 
PRO   O    O N N 308 
PRO   CB   C N N 309 
PRO   CG   C N N 310 
PRO   CD   C N N 311 
PRO   OXT  O N N 312 
PRO   H    H N N 313 
PRO   HA   H N N 314 
PRO   HB2  H N N 315 
PRO   HB3  H N N 316 
PRO   HG2  H N N 317 
PRO   HG3  H N N 318 
PRO   HD2  H N N 319 
PRO   HD3  H N N 320 
PRO   HXT  H N N 321 
SER   N    N N N 322 
SER   CA   C N S 323 
SER   C    C N N 324 
SER   O    O N N 325 
SER   CB   C N N 326 
SER   OG   O N N 327 
SER   OXT  O N N 328 
SER   H    H N N 329 
SER   H2   H N N 330 
SER   HA   H N N 331 
SER   HB2  H N N 332 
SER   HB3  H N N 333 
SER   HG   H N N 334 
SER   HXT  H N N 335 
SO4   S    S N N 336 
SO4   O1   O N N 337 
SO4   O2   O N N 338 
SO4   O3   O N N 339 
SO4   O4   O N N 340 
THR   N    N N N 341 
THR   CA   C N S 342 
THR   C    C N N 343 
THR   O    O N N 344 
THR   CB   C N R 345 
THR   OG1  O N N 346 
THR   CG2  C N N 347 
THR   OXT  O N N 348 
THR   H    H N N 349 
THR   H2   H N N 350 
THR   HA   H N N 351 
THR   HB   H N N 352 
THR   HG1  H N N 353 
THR   HG21 H N N 354 
THR   HG22 H N N 355 
THR   HG23 H N N 356 
THR   HXT  H N N 357 
TRP   N    N N N 358 
TRP   CA   C N S 359 
TRP   C    C N N 360 
TRP   O    O N N 361 
TRP   CB   C N N 362 
TRP   CG   C Y N 363 
TRP   CD1  C Y N 364 
TRP   CD2  C Y N 365 
TRP   NE1  N Y N 366 
TRP   CE2  C Y N 367 
TRP   CE3  C Y N 368 
TRP   CZ2  C Y N 369 
TRP   CZ3  C Y N 370 
TRP   CH2  C Y N 371 
TRP   OXT  O N N 372 
TRP   H    H N N 373 
TRP   H2   H N N 374 
TRP   HA   H N N 375 
TRP   HB2  H N N 376 
TRP   HB3  H N N 377 
TRP   HD1  H N N 378 
TRP   HE1  H N N 379 
TRP   HE3  H N N 380 
TRP   HZ2  H N N 381 
TRP   HZ3  H N N 382 
TRP   HH2  H N N 383 
TRP   HXT  H N N 384 
TYR   N    N N N 385 
TYR   CA   C N S 386 
TYR   C    C N N 387 
TYR   O    O N N 388 
TYR   CB   C N N 389 
TYR   CG   C Y N 390 
TYR   CD1  C Y N 391 
TYR   CD2  C Y N 392 
TYR   CE1  C Y N 393 
TYR   CE2  C Y N 394 
TYR   CZ   C Y N 395 
TYR   OH   O N N 396 
TYR   OXT  O N N 397 
TYR   H    H N N 398 
TYR   H2   H N N 399 
TYR   HA   H N N 400 
TYR   HB2  H N N 401 
TYR   HB3  H N N 402 
TYR   HD1  H N N 403 
TYR   HD2  H N N 404 
TYR   HE1  H N N 405 
TYR   HE2  H N N 406 
TYR   HH   H N N 407 
TYR   HXT  H N N 408 
VAL   N    N N N 409 
VAL   CA   C N S 410 
VAL   C    C N N 411 
VAL   O    O N N 412 
VAL   CB   C N N 413 
VAL   CG1  C N N 414 
VAL   CG2  C N N 415 
VAL   OXT  O N N 416 
VAL   H    H N N 417 
VAL   H2   H N N 418 
VAL   HA   H N N 419 
VAL   HB   H N N 420 
VAL   HG11 H N N 421 
VAL   HG12 H N N 422 
VAL   HG13 H N N 423 
VAL   HG21 H N N 424 
VAL   HG22 H N N 425 
VAL   HG23 H N N 426 
VAL   HXT  H N N 427 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
A1BFJ C1  N1   sing N N 1   
A1BFJ N1  C2   sing N N 2   
A1BFJ C2  O1   doub N N 3   
A1BFJ C2  C3   sing N N 4   
A1BFJ C3  C4   sing N N 5   
A1BFJ C4  N2   sing N N 6   
A1BFJ N2  C5   sing N N 7   
A1BFJ C5  C6   sing N N 8   
A1BFJ C6  O2   sing N N 9   
A1BFJ C3  O2   sing N N 10  
A1BFJ N1  H4   sing N N 11  
A1BFJ C4  H7   sing N N 12  
A1BFJ C4  H6   sing N N 13  
A1BFJ C5  H10  sing N N 14  
A1BFJ C5  H9   sing N N 15  
A1BFJ C6  H12  sing N N 16  
A1BFJ C6  H11  sing N N 17  
A1BFJ C1  H2   sing N N 18  
A1BFJ C1  H3   sing N N 19  
A1BFJ C1  H1   sing N N 20  
A1BFJ C3  H5   sing N N 21  
A1BFJ N2  H13  sing N N 22  
ALA   N   CA   sing N N 23  
ALA   N   H    sing N N 24  
ALA   N   H2   sing N N 25  
ALA   CA  C    sing N N 26  
ALA   CA  CB   sing N N 27  
ALA   CA  HA   sing N N 28  
ALA   C   O    doub N N 29  
ALA   C   OXT  sing N N 30  
ALA   CB  HB1  sing N N 31  
ALA   CB  HB2  sing N N 32  
ALA   CB  HB3  sing N N 33  
ALA   OXT HXT  sing N N 34  
ARG   N   CA   sing N N 35  
ARG   N   H    sing N N 36  
ARG   N   H2   sing N N 37  
ARG   CA  C    sing N N 38  
ARG   CA  CB   sing N N 39  
ARG   CA  HA   sing N N 40  
ARG   C   O    doub N N 41  
ARG   C   OXT  sing N N 42  
ARG   CB  CG   sing N N 43  
ARG   CB  HB2  sing N N 44  
ARG   CB  HB3  sing N N 45  
ARG   CG  CD   sing N N 46  
ARG   CG  HG2  sing N N 47  
ARG   CG  HG3  sing N N 48  
ARG   CD  NE   sing N N 49  
ARG   CD  HD2  sing N N 50  
ARG   CD  HD3  sing N N 51  
ARG   NE  CZ   sing N N 52  
ARG   NE  HE   sing N N 53  
ARG   CZ  NH1  sing N N 54  
ARG   CZ  NH2  doub N N 55  
ARG   NH1 HH11 sing N N 56  
ARG   NH1 HH12 sing N N 57  
ARG   NH2 HH21 sing N N 58  
ARG   NH2 HH22 sing N N 59  
ARG   OXT HXT  sing N N 60  
ASN   N   CA   sing N N 61  
ASN   N   H    sing N N 62  
ASN   N   H2   sing N N 63  
ASN   CA  C    sing N N 64  
ASN   CA  CB   sing N N 65  
ASN   CA  HA   sing N N 66  
ASN   C   O    doub N N 67  
ASN   C   OXT  sing N N 68  
ASN   CB  CG   sing N N 69  
ASN   CB  HB2  sing N N 70  
ASN   CB  HB3  sing N N 71  
ASN   CG  OD1  doub N N 72  
ASN   CG  ND2  sing N N 73  
ASN   ND2 HD21 sing N N 74  
ASN   ND2 HD22 sing N N 75  
ASN   OXT HXT  sing N N 76  
ASP   N   CA   sing N N 77  
ASP   N   H    sing N N 78  
ASP   N   H2   sing N N 79  
ASP   CA  C    sing N N 80  
ASP   CA  CB   sing N N 81  
ASP   CA  HA   sing N N 82  
ASP   C   O    doub N N 83  
ASP   C   OXT  sing N N 84  
ASP   CB  CG   sing N N 85  
ASP   CB  HB2  sing N N 86  
ASP   CB  HB3  sing N N 87  
ASP   CG  OD1  doub N N 88  
ASP   CG  OD2  sing N N 89  
ASP   OD2 HD2  sing N N 90  
ASP   OXT HXT  sing N N 91  
CYS   N   CA   sing N N 92  
CYS   N   H    sing N N 93  
CYS   N   H2   sing N N 94  
CYS   CA  C    sing N N 95  
CYS   CA  CB   sing N N 96  
CYS   CA  HA   sing N N 97  
CYS   C   O    doub N N 98  
CYS   C   OXT  sing N N 99  
CYS   CB  SG   sing N N 100 
CYS   CB  HB2  sing N N 101 
CYS   CB  HB3  sing N N 102 
CYS   SG  HG   sing N N 103 
CYS   OXT HXT  sing N N 104 
EDO   C1  O1   sing N N 105 
EDO   C1  C2   sing N N 106 
EDO   C1  H11  sing N N 107 
EDO   C1  H12  sing N N 108 
EDO   O1  HO1  sing N N 109 
EDO   C2  O2   sing N N 110 
EDO   C2  H21  sing N N 111 
EDO   C2  H22  sing N N 112 
EDO   O2  HO2  sing N N 113 
GLN   N   CA   sing N N 114 
GLN   N   H    sing N N 115 
GLN   N   H2   sing N N 116 
GLN   CA  C    sing N N 117 
GLN   CA  CB   sing N N 118 
GLN   CA  HA   sing N N 119 
GLN   C   O    doub N N 120 
GLN   C   OXT  sing N N 121 
GLN   CB  CG   sing N N 122 
GLN   CB  HB2  sing N N 123 
GLN   CB  HB3  sing N N 124 
GLN   CG  CD   sing N N 125 
GLN   CG  HG2  sing N N 126 
GLN   CG  HG3  sing N N 127 
GLN   CD  OE1  doub N N 128 
GLN   CD  NE2  sing N N 129 
GLN   NE2 HE21 sing N N 130 
GLN   NE2 HE22 sing N N 131 
GLN   OXT HXT  sing N N 132 
GLU   N   CA   sing N N 133 
GLU   N   H    sing N N 134 
GLU   N   H2   sing N N 135 
GLU   CA  C    sing N N 136 
GLU   CA  CB   sing N N 137 
GLU   CA  HA   sing N N 138 
GLU   C   O    doub N N 139 
GLU   C   OXT  sing N N 140 
GLU   CB  CG   sing N N 141 
GLU   CB  HB2  sing N N 142 
GLU   CB  HB3  sing N N 143 
GLU   CG  CD   sing N N 144 
GLU   CG  HG2  sing N N 145 
GLU   CG  HG3  sing N N 146 
GLU   CD  OE1  doub N N 147 
GLU   CD  OE2  sing N N 148 
GLU   OE2 HE2  sing N N 149 
GLU   OXT HXT  sing N N 150 
GLY   N   CA   sing N N 151 
GLY   N   H    sing N N 152 
GLY   N   H2   sing N N 153 
GLY   CA  C    sing N N 154 
GLY   CA  HA2  sing N N 155 
GLY   CA  HA3  sing N N 156 
GLY   C   O    doub N N 157 
GLY   C   OXT  sing N N 158 
GLY   OXT HXT  sing N N 159 
HIS   N   CA   sing N N 160 
HIS   N   H    sing N N 161 
HIS   N   H2   sing N N 162 
HIS   CA  C    sing N N 163 
HIS   CA  CB   sing N N 164 
HIS   CA  HA   sing N N 165 
HIS   C   O    doub N N 166 
HIS   C   OXT  sing N N 167 
HIS   CB  CG   sing N N 168 
HIS   CB  HB2  sing N N 169 
HIS   CB  HB3  sing N N 170 
HIS   CG  ND1  sing Y N 171 
HIS   CG  CD2  doub Y N 172 
HIS   ND1 CE1  doub Y N 173 
HIS   ND1 HD1  sing N N 174 
HIS   CD2 NE2  sing Y N 175 
HIS   CD2 HD2  sing N N 176 
HIS   CE1 NE2  sing Y N 177 
HIS   CE1 HE1  sing N N 178 
HIS   NE2 HE2  sing N N 179 
HIS   OXT HXT  sing N N 180 
HOH   O   H1   sing N N 181 
HOH   O   H2   sing N N 182 
ILE   N   CA   sing N N 183 
ILE   N   H    sing N N 184 
ILE   N   H2   sing N N 185 
ILE   CA  C    sing N N 186 
ILE   CA  CB   sing N N 187 
ILE   CA  HA   sing N N 188 
ILE   C   O    doub N N 189 
ILE   C   OXT  sing N N 190 
ILE   CB  CG1  sing N N 191 
ILE   CB  CG2  sing N N 192 
ILE   CB  HB   sing N N 193 
ILE   CG1 CD1  sing N N 194 
ILE   CG1 HG12 sing N N 195 
ILE   CG1 HG13 sing N N 196 
ILE   CG2 HG21 sing N N 197 
ILE   CG2 HG22 sing N N 198 
ILE   CG2 HG23 sing N N 199 
ILE   CD1 HD11 sing N N 200 
ILE   CD1 HD12 sing N N 201 
ILE   CD1 HD13 sing N N 202 
ILE   OXT HXT  sing N N 203 
LEU   N   CA   sing N N 204 
LEU   N   H    sing N N 205 
LEU   N   H2   sing N N 206 
LEU   CA  C    sing N N 207 
LEU   CA  CB   sing N N 208 
LEU   CA  HA   sing N N 209 
LEU   C   O    doub N N 210 
LEU   C   OXT  sing N N 211 
LEU   CB  CG   sing N N 212 
LEU   CB  HB2  sing N N 213 
LEU   CB  HB3  sing N N 214 
LEU   CG  CD1  sing N N 215 
LEU   CG  CD2  sing N N 216 
LEU   CG  HG   sing N N 217 
LEU   CD1 HD11 sing N N 218 
LEU   CD1 HD12 sing N N 219 
LEU   CD1 HD13 sing N N 220 
LEU   CD2 HD21 sing N N 221 
LEU   CD2 HD22 sing N N 222 
LEU   CD2 HD23 sing N N 223 
LEU   OXT HXT  sing N N 224 
LYS   N   CA   sing N N 225 
LYS   N   H    sing N N 226 
LYS   N   H2   sing N N 227 
LYS   CA  C    sing N N 228 
LYS   CA  CB   sing N N 229 
LYS   CA  HA   sing N N 230 
LYS   C   O    doub N N 231 
LYS   C   OXT  sing N N 232 
LYS   CB  CG   sing N N 233 
LYS   CB  HB2  sing N N 234 
LYS   CB  HB3  sing N N 235 
LYS   CG  CD   sing N N 236 
LYS   CG  HG2  sing N N 237 
LYS   CG  HG3  sing N N 238 
LYS   CD  CE   sing N N 239 
LYS   CD  HD2  sing N N 240 
LYS   CD  HD3  sing N N 241 
LYS   CE  NZ   sing N N 242 
LYS   CE  HE2  sing N N 243 
LYS   CE  HE3  sing N N 244 
LYS   NZ  HZ1  sing N N 245 
LYS   NZ  HZ2  sing N N 246 
LYS   NZ  HZ3  sing N N 247 
LYS   OXT HXT  sing N N 248 
MET   N   CA   sing N N 249 
MET   N   H    sing N N 250 
MET   N   H2   sing N N 251 
MET   CA  C    sing N N 252 
MET   CA  CB   sing N N 253 
MET   CA  HA   sing N N 254 
MET   C   O    doub N N 255 
MET   C   OXT  sing N N 256 
MET   CB  CG   sing N N 257 
MET   CB  HB2  sing N N 258 
MET   CB  HB3  sing N N 259 
MET   CG  SD   sing N N 260 
MET   CG  HG2  sing N N 261 
MET   CG  HG3  sing N N 262 
MET   SD  CE   sing N N 263 
MET   CE  HE1  sing N N 264 
MET   CE  HE2  sing N N 265 
MET   CE  HE3  sing N N 266 
MET   OXT HXT  sing N N 267 
PHE   N   CA   sing N N 268 
PHE   N   H    sing N N 269 
PHE   N   H2   sing N N 270 
PHE   CA  C    sing N N 271 
PHE   CA  CB   sing N N 272 
PHE   CA  HA   sing N N 273 
PHE   C   O    doub N N 274 
PHE   C   OXT  sing N N 275 
PHE   CB  CG   sing N N 276 
PHE   CB  HB2  sing N N 277 
PHE   CB  HB3  sing N N 278 
PHE   CG  CD1  doub Y N 279 
PHE   CG  CD2  sing Y N 280 
PHE   CD1 CE1  sing Y N 281 
PHE   CD1 HD1  sing N N 282 
PHE   CD2 CE2  doub Y N 283 
PHE   CD2 HD2  sing N N 284 
PHE   CE1 CZ   doub Y N 285 
PHE   CE1 HE1  sing N N 286 
PHE   CE2 CZ   sing Y N 287 
PHE   CE2 HE2  sing N N 288 
PHE   CZ  HZ   sing N N 289 
PHE   OXT HXT  sing N N 290 
PRO   N   CA   sing N N 291 
PRO   N   CD   sing N N 292 
PRO   N   H    sing N N 293 
PRO   CA  C    sing N N 294 
PRO   CA  CB   sing N N 295 
PRO   CA  HA   sing N N 296 
PRO   C   O    doub N N 297 
PRO   C   OXT  sing N N 298 
PRO   CB  CG   sing N N 299 
PRO   CB  HB2  sing N N 300 
PRO   CB  HB3  sing N N 301 
PRO   CG  CD   sing N N 302 
PRO   CG  HG2  sing N N 303 
PRO   CG  HG3  sing N N 304 
PRO   CD  HD2  sing N N 305 
PRO   CD  HD3  sing N N 306 
PRO   OXT HXT  sing N N 307 
SER   N   CA   sing N N 308 
SER   N   H    sing N N 309 
SER   N   H2   sing N N 310 
SER   CA  C    sing N N 311 
SER   CA  CB   sing N N 312 
SER   CA  HA   sing N N 313 
SER   C   O    doub N N 314 
SER   C   OXT  sing N N 315 
SER   CB  OG   sing N N 316 
SER   CB  HB2  sing N N 317 
SER   CB  HB3  sing N N 318 
SER   OG  HG   sing N N 319 
SER   OXT HXT  sing N N 320 
SO4   S   O1   doub N N 321 
SO4   S   O2   doub N N 322 
SO4   S   O3   sing N N 323 
SO4   S   O4   sing N N 324 
THR   N   CA   sing N N 325 
THR   N   H    sing N N 326 
THR   N   H2   sing N N 327 
THR   CA  C    sing N N 328 
THR   CA  CB   sing N N 329 
THR   CA  HA   sing N N 330 
THR   C   O    doub N N 331 
THR   C   OXT  sing N N 332 
THR   CB  OG1  sing N N 333 
THR   CB  CG2  sing N N 334 
THR   CB  HB   sing N N 335 
THR   OG1 HG1  sing N N 336 
THR   CG2 HG21 sing N N 337 
THR   CG2 HG22 sing N N 338 
THR   CG2 HG23 sing N N 339 
THR   OXT HXT  sing N N 340 
TRP   N   CA   sing N N 341 
TRP   N   H    sing N N 342 
TRP   N   H2   sing N N 343 
TRP   CA  C    sing N N 344 
TRP   CA  CB   sing N N 345 
TRP   CA  HA   sing N N 346 
TRP   C   O    doub N N 347 
TRP   C   OXT  sing N N 348 
TRP   CB  CG   sing N N 349 
TRP   CB  HB2  sing N N 350 
TRP   CB  HB3  sing N N 351 
TRP   CG  CD1  doub Y N 352 
TRP   CG  CD2  sing Y N 353 
TRP   CD1 NE1  sing Y N 354 
TRP   CD1 HD1  sing N N 355 
TRP   CD2 CE2  doub Y N 356 
TRP   CD2 CE3  sing Y N 357 
TRP   NE1 CE2  sing Y N 358 
TRP   NE1 HE1  sing N N 359 
TRP   CE2 CZ2  sing Y N 360 
TRP   CE3 CZ3  doub Y N 361 
TRP   CE3 HE3  sing N N 362 
TRP   CZ2 CH2  doub Y N 363 
TRP   CZ2 HZ2  sing N N 364 
TRP   CZ3 CH2  sing Y N 365 
TRP   CZ3 HZ3  sing N N 366 
TRP   CH2 HH2  sing N N 367 
TRP   OXT HXT  sing N N 368 
TYR   N   CA   sing N N 369 
TYR   N   H    sing N N 370 
TYR   N   H2   sing N N 371 
TYR   CA  C    sing N N 372 
TYR   CA  CB   sing N N 373 
TYR   CA  HA   sing N N 374 
TYR   C   O    doub N N 375 
TYR   C   OXT  sing N N 376 
TYR   CB  CG   sing N N 377 
TYR   CB  HB2  sing N N 378 
TYR   CB  HB3  sing N N 379 
TYR   CG  CD1  doub Y N 380 
TYR   CG  CD2  sing Y N 381 
TYR   CD1 CE1  sing Y N 382 
TYR   CD1 HD1  sing N N 383 
TYR   CD2 CE2  doub Y N 384 
TYR   CD2 HD2  sing N N 385 
TYR   CE1 CZ   doub Y N 386 
TYR   CE1 HE1  sing N N 387 
TYR   CE2 CZ   sing Y N 388 
TYR   CE2 HE2  sing N N 389 
TYR   CZ  OH   sing N N 390 
TYR   OH  HH   sing N N 391 
TYR   OXT HXT  sing N N 392 
VAL   N   CA   sing N N 393 
VAL   N   H    sing N N 394 
VAL   N   H2   sing N N 395 
VAL   CA  C    sing N N 396 
VAL   CA  CB   sing N N 397 
VAL   CA  HA   sing N N 398 
VAL   C   O    doub N N 399 
VAL   C   OXT  sing N N 400 
VAL   CB  CG1  sing N N 401 
VAL   CB  CG2  sing N N 402 
VAL   CB  HB   sing N N 403 
VAL   CG1 HG11 sing N N 404 
VAL   CG1 HG12 sing N N 405 
VAL   CG1 HG13 sing N N 406 
VAL   CG2 HG21 sing N N 407 
VAL   CG2 HG22 sing N N 408 
VAL   CG2 HG23 sing N N 409 
VAL   OXT HXT  sing N N 410 
# 
_pdbx_audit_support.ordinal                1 
_pdbx_audit_support.funding_organization   'European Union (EU)' 
_pdbx_audit_support.grant_number           875510 
_pdbx_audit_support.country                'European Union' 
# 
_pdbx_deposit_group.group_id            G_1002320 
_pdbx_deposit_group.group_description   
;PRYSPRY domain of murine TRIM21 screened against the DSI-poised Fragment Library by X-ray Crystallography at the XChem facility of Diamon Light Source
;
_pdbx_deposit_group.group_title         'PanDDA analysis group deposition' 
_pdbx_deposit_group.group_type          'changed state' 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   2VOK 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    7HMH 
_atom_sites.fract_transf_matrix[1][1]   0.010471 
_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]   0.010471 
_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]   0.021815 
_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   ? -12.717 -13.491 -10.020 1.00 71.95 ? 8   HIS   B N   1 
ATOM   2    C CA  . HIS   A 1 2   ? -12.545 -13.785 -11.478 1.00 68.35 ? 8   HIS   B CA  1 
ATOM   3    C C   . HIS   A 1 2   ? -11.588 -12.756 -12.096 1.00 69.04 ? 8   HIS   B C   1 
ATOM   4    O O   . HIS   A 1 2   ? -11.733 -11.540 -11.806 1.00 73.45 ? 8   HIS   B O   1 
ATOM   5    C CB  . HIS   A 1 2   ? -13.913 -13.863 -12.189 1.00 62.79 ? 8   HIS   B CB  1 
ATOM   6    C CG  . HIS   A 1 2   ? -14.466 -12.568 -12.704 1.00 58.72 ? 8   HIS   B CG  1 
ATOM   7    N ND1 . HIS   A 1 2   ? -14.009 -11.974 -13.871 1.00 57.18 ? 8   HIS   B ND1 1 
ATOM   8    C CD2 . HIS   A 1 2   ? -15.471 -11.779 -12.256 1.00 57.45 ? 8   HIS   B CD2 1 
ATOM   9    C CE1 . HIS   A 1 2   ? -14.677 -10.859 -14.093 1.00 57.45 ? 8   HIS   B CE1 1 
ATOM   10   N NE2 . HIS   A 1 2   ? -15.585 -10.714 -13.122 1.00 55.59 ? 8   HIS   B NE2 1 
ATOM   11   N N   . HIS   A 1 3   ? -10.649 -13.237 -12.915 1.00 66.89 ? 9   HIS   B N   1 
ATOM   12   C CA  . HIS   A 1 3   ? -9.693  -12.419 -13.709 1.00 67.02 ? 9   HIS   B CA  1 
ATOM   13   C C   . HIS   A 1 3   ? -10.016 -12.580 -15.206 1.00 58.29 ? 9   HIS   B C   1 
ATOM   14   O O   . HIS   A 1 3   ? -9.061  -12.789 -15.987 1.00 55.94 ? 9   HIS   B O   1 
ATOM   15   C CB  . HIS   A 1 3   ? -8.249  -12.798 -13.320 1.00 74.97 ? 9   HIS   B CB  1 
ATOM   16   C CG  . HIS   A 1 3   ? -7.992  -12.767 -11.844 1.00 83.50 ? 9   HIS   B CG  1 
ATOM   17   N ND1 . HIS   A 1 3   ? -7.953  -11.584 -11.114 1.00 82.03 ? 9   HIS   B ND1 1 
ATOM   18   C CD2 . HIS   A 1 3   ? -7.765  -13.760 -10.953 1.00 86.85 ? 9   HIS   B CD2 1 
ATOM   19   C CE1 . HIS   A 1 3   ? -7.715  -11.854 -9.845  1.00 82.22 ? 9   HIS   B CE1 1 
ATOM   20   N NE2 . HIS   A 1 3   ? -7.592  -13.181 -9.721  1.00 85.58 ? 9   HIS   B NE2 1 
ATOM   21   N N   . HIS   A 1 4   ? -11.309 -12.493 -15.585 1.00 43.58 ? 10  HIS   B N   1 
ATOM   22   C CA  . HIS   A 1 4   ? -11.819 -12.645 -16.982 1.00 35.38 ? 10  HIS   B CA  1 
ATOM   23   C C   . HIS   A 1 4   ? -11.798 -11.291 -17.700 1.00 34.14 ? 10  HIS   B C   1 
ATOM   24   O O   . HIS   A 1 4   ? -11.866 -11.286 -18.948 1.00 31.09 ? 10  HIS   B O   1 
ATOM   25   C CB  . HIS   A 1 4   ? -13.237 -13.249 -17.008 1.00 32.46 ? 10  HIS   B CB  1 
ATOM   26   C CG  . HIS   A 1 4   ? -13.323 -14.621 -16.430 1.00 33.14 ? 10  HIS   B CG  1 
ATOM   27   N ND1 . HIS   A 1 4   ? -12.376 -15.614 -16.701 1.00 32.35 ? 10  HIS   B ND1 1 
ATOM   28   C CD2 . HIS   A 1 4   ? -14.226 -15.174 -15.591 1.00 32.54 ? 10  HIS   B CD2 1 
ATOM   29   C CE1 . HIS   A 1 4   ? -12.709 -16.721 -16.057 1.00 37.78 ? 10  HIS   B CE1 1 
ATOM   30   N NE2 . HIS   A 1 4   ? -13.848 -16.477 -15.369 1.00 35.83 ? 10  HIS   B NE2 1 
ATOM   31   N N   . HIS   A 1 5   ? -11.667 -10.188 -16.946 1.00 36.71 ? 11  HIS   B N   1 
ATOM   32   C CA  . HIS   A 1 5   ? -11.692 -8.786  -17.456 1.00 41.79 ? 11  HIS   B CA  1 
ATOM   33   C C   . HIS   A 1 5   ? -10.806 -8.628  -18.704 1.00 40.28 ? 11  HIS   B C   1 
ATOM   34   O O   . HIS   A 1 5   ? -11.275 -7.979  -19.671 1.00 38.28 ? 11  HIS   B O   1 
ATOM   35   C CB  . HIS   A 1 5   ? -11.297 -7.769  -16.363 1.00 51.10 ? 11  HIS   B CB  1 
ATOM   36   C CG  . HIS   A 1 5   ? -11.992 -7.968  -15.056 1.00 64.33 ? 11  HIS   B CG  1 
ATOM   37   N ND1 . HIS   A 1 5   ? -11.352 -8.536  -13.955 1.00 76.68 ? 11  HIS   B ND1 1 
ATOM   38   C CD2 . HIS   A 1 5   ? -13.258 -7.699  -14.664 1.00 72.28 ? 11  HIS   B CD2 1 
ATOM   39   C CE1 . HIS   A 1 5   ? -12.199 -8.600  -12.943 1.00 79.34 ? 11  HIS   B CE1 1 
ATOM   40   N NE2 . HIS   A 1 5   ? -13.378 -8.093  -13.352 1.00 76.72 ? 11  HIS   B NE2 1 
ATOM   41   N N   . HIS   A 1 6   ? -9.599  -9.211  -18.719 1.00 36.80 ? 12  HIS   B N   1 
ATOM   42   C CA  . HIS   A 1 6   ? -8.611  -9.095  -19.833 1.00 37.29 ? 12  HIS   B CA  1 
ATOM   43   C C   . HIS   A 1 6   ? -9.070  -9.770  -21.137 1.00 34.44 ? 12  HIS   B C   1 
ATOM   44   O O   . HIS   A 1 6   ? -8.381  -9.546  -22.147 1.00 35.93 ? 12  HIS   B O   1 
ATOM   45   C CB  . HIS   A 1 6   ? -7.230  -9.624  -19.411 1.00 42.24 ? 12  HIS   B CB  1 
ATOM   46   C CG  . HIS   A 1 6   ? -7.150  -11.090 -19.149 1.00 43.73 ? 12  HIS   B CG  1 
ATOM   47   N ND1 . HIS   A 1 6   ? -6.577  -11.976 -20.050 1.00 51.54 ? 12  HIS   B ND1 1 
ATOM   48   C CD2 . HIS   A 1 6   ? -7.504  -11.826 -18.075 1.00 46.78 ? 12  HIS   B CD2 1 
ATOM   49   C CE1 . HIS   A 1 6   ? -6.615  -13.200 -19.556 1.00 43.31 ? 12  HIS   B CE1 1 
ATOM   50   N NE2 . HIS   A 1 6   ? -7.174  -13.138 -18.346 1.00 49.14 ? 12  HIS   B NE2 1 
ATOM   51   N N   . HIS   A 1 7   ? -10.142 -10.584 -21.148 1.00 27.92 ? 13  HIS   B N   1 
ATOM   52   C CA  . HIS   A 1 7   ? -10.760 -11.118 -22.400 1.00 24.36 ? 13  HIS   B CA  1 
ATOM   53   C C   . HIS   A 1 7   ? -11.902 -10.218 -22.853 1.00 21.41 ? 13  HIS   B C   1 
ATOM   54   O O   . HIS   A 1 7   ? -12.753 -10.690 -23.643 1.00 17.97 ? 13  HIS   B O   1 
ATOM   55   C CB  . HIS   A 1 7   ? -11.282 -12.542 -22.225 1.00 22.56 ? 13  HIS   B CB  1 
ATOM   56   C CG  . HIS   A 1 7   ? -10.231 -13.501 -21.770 1.00 24.46 ? 13  HIS   B CG  1 
ATOM   57   N ND1 . HIS   A 1 7   ? -9.170  -13.852 -22.599 1.00 24.03 ? 13  HIS   B ND1 1 
ATOM   58   C CD2 . HIS   A 1 7   ? -10.073 -14.166 -20.606 1.00 25.07 ? 13  HIS   B CD2 1 
ATOM   59   C CE1 . HIS   A 1 7   ? -8.385  -14.693 -21.944 1.00 24.60 ? 13  HIS   B CE1 1 
ATOM   60   N NE2 . HIS   A 1 7   ? -8.895  -14.894 -20.717 1.00 27.42 ? 13  HIS   B NE2 1 
ATOM   61   N N   . MET   A 1 8   ? -11.922 -8.978  -22.379 1.00 22.23 ? 14  MET   B N   1 
ATOM   62   C CA  . MET   A 1 8   ? -12.985 -7.990  -22.694 1.00 26.46 ? 14  MET   B CA  1 
ATOM   63   C C   . MET   A 1 8   ? -13.107 -7.826  -24.222 1.00 25.16 ? 14  MET   B C   1 
ATOM   64   O O   . MET   A 1 8   ? -12.079 -7.721  -24.916 1.00 26.52 ? 14  MET   B O   1 
ATOM   65   C CB  . MET   A 1 8   ? -12.665 -6.658  -22.003 1.00 31.60 ? 14  MET   B CB  1 
ATOM   66   C CG  . MET   A 1 8   ? -13.664 -5.526  -22.226 1.00 37.77 ? 14  MET   B CG  1 
ATOM   67   S SD  . MET   A 1 8   ? -15.299 -5.767  -21.427 1.00 48.31 ? 14  MET   B SD  1 
ATOM   68   C CE  . MET   A 1 8   ? -15.030 -5.059  -19.806 1.00 36.90 ? 14  MET   B CE  1 
ATOM   69   N N   . VAL   A 1 9   ? -14.333 -7.826  -24.746 1.00 19.44 ? 15  VAL   B N   1 
ATOM   70   C CA  . VAL   A 1 9   ? -14.628 -7.588  -26.183 1.00 20.41 ? 15  VAL   B CA  1 
ATOM   71   C C   . VAL   A 1 9   ? -15.633 -6.428  -26.263 1.00 21.74 ? 15  VAL   B C   1 
ATOM   72   O O   . VAL   A 1 9   ? -16.443 -6.280  -25.344 1.00 20.70 ? 15  VAL   B O   1 
ATOM   73   C CB  . VAL   A 1 9   ? -15.142 -8.857  -26.894 1.00 22.64 ? 15  VAL   B CB  1 
ATOM   74   C CG1 . VAL   A 1 9   ? -14.030 -9.892  -27.025 1.00 23.98 ? 15  VAL   B CG1 1 
ATOM   75   C CG2 . VAL   A 1 9   ? -16.354 -9.471  -26.217 1.00 22.51 ? 15  VAL   B CG2 1 
ATOM   76   N N   . HIS   A 1 10  ? -15.530 -5.621  -27.318 1.00 21.42 ? 16  HIS   B N   1 
ATOM   77   C CA  . HIS   A 1 10  ? -16.419 -4.477  -27.602 1.00 20.60 ? 16  HIS   B CA  1 
ATOM   78   C C   . HIS   A 1 10  ? -17.631 -5.030  -28.347 1.00 20.86 ? 16  HIS   B C   1 
ATOM   79   O O   . HIS   A 1 10  ? -17.495 -5.477  -29.517 1.00 23.44 ? 16  HIS   B O   1 
ATOM   80   C CB  . HIS   A 1 10  ? -15.681 -3.412  -28.419 1.00 22.76 ? 16  HIS   B CB  1 
ATOM   81   C CG  . HIS   A 1 10  ? -16.450 -2.142  -28.624 1.00 27.84 ? 16  HIS   B CG  1 
ATOM   82   N ND1 . HIS   A 1 10  ? -16.578 -1.170  -27.624 1.00 31.35 ? 16  HIS   B ND1 1 
ATOM   83   C CD2 . HIS   A 1 10  ? -17.139 -1.673  -29.698 1.00 31.43 ? 16  HIS   B CD2 1 
ATOM   84   C CE1 . HIS   A 1 10  ? -17.300 -0.156  -28.085 1.00 31.33 ? 16  HIS   B CE1 1 
ATOM   85   N NE2 . HIS   A 1 10  ? -17.669 -0.439  -29.360 1.00 32.38 ? 16  HIS   B NE2 1 
ATOM   86   N N   . ILE   A 1 11  ? -18.764 -5.106  -27.654 1.00 16.78 ? 17  ILE   B N   1 
ATOM   87   C CA  . ILE   A 1 11  ? -20.014 -5.629  -28.238 1.00 17.72 ? 17  ILE   B CA  1 
ATOM   88   C C   . ILE   A 1 11  ? -20.836 -4.446  -28.753 1.00 16.73 ? 17  ILE   B C   1 
ATOM   89   O O   . ILE   A 1 11  ? -20.833 -3.422  -28.114 1.00 17.78 ? 17  ILE   B O   1 
ATOM   90   C CB  . ILE   A 1 11  ? -20.812 -6.431  -27.205 1.00 17.70 ? 17  ILE   B CB  1 
ATOM   91   C CG1 . ILE   A 1 11  ? -19.994 -7.620  -26.684 1.00 19.00 ? 17  ILE   B CG1 1 
ATOM   92   C CG2 . ILE   A 1 11  ? -22.151 -6.839  -27.824 1.00 17.53 ? 17  ILE   B CG2 1 
ATOM   93   C CD1 . ILE   A 1 11  ? -19.446 -8.542  -27.780 1.00 20.00 ? 17  ILE   B CD1 1 
ATOM   94   N N   . THR   A 1 12  ? -21.422 -4.624  -29.923 1.00 16.03 ? 18  THR   B N   1 
ATOM   95   C CA  . THR   A 1 12  ? -22.402 -3.651  -30.482 1.00 16.79 ? 18  THR   B CA  1 
ATOM   96   C C   . THR   A 1 12  ? -23.664 -4.396  -30.881 1.00 16.88 ? 18  THR   B C   1 
ATOM   97   O O   . THR   A 1 12  ? -23.624 -5.597  -31.179 1.00 18.50 ? 18  THR   B O   1 
ATOM   98   C CB  . THR   A 1 12  ? -21.801 -2.860  -31.647 1.00 18.51 ? 18  THR   B CB  1 
ATOM   99   O OG1 . THR   A 1 12  ? -21.488 -3.778  -32.669 1.00 17.81 ? 18  THR   B OG1 1 
ATOM   100  C CG2 . THR   A 1 12  ? -20.585 -2.035  -31.269 1.00 21.16 ? 18  THR   B CG2 1 
ATOM   101  N N   . LEU   A 1 13  ? -24.800 -3.716  -30.850 1.00 15.05 ? 19  LEU   B N   1 
ATOM   102  C CA  . LEU   A 1 13  ? -26.099 -4.349  -31.165 1.00 15.70 ? 19  LEU   B CA  1 
ATOM   103  C C   . LEU   A 1 13  ? -26.382 -4.317  -32.672 1.00 15.90 ? 19  LEU   B C   1 
ATOM   104  O O   . LEU   A 1 13  ? -26.060 -3.296  -33.358 1.00 16.16 ? 19  LEU   B O   1 
ATOM   105  C CB  . LEU   A 1 13  ? -27.158 -3.606  -30.354 1.00 15.98 ? 19  LEU   B CB  1 
ATOM   106  C CG  . LEU   A 1 13  ? -26.931 -3.666  -28.839 1.00 16.87 ? 19  LEU   B CG  1 
ATOM   107  C CD1 . LEU   A 1 13  ? -27.838 -2.711  -28.080 1.00 18.17 ? 19  LEU   B CD1 1 
ATOM   108  C CD2 . LEU   A 1 13  ? -27.092 -5.103  -28.330 1.00 17.81 ? 19  LEU   B CD2 1 
ATOM   109  N N   . ASP   A 1 14  ? -27.017 -5.361  -33.147 1.00 15.26 ? 20  ASP   B N   1 
ATOM   110  C CA  . ASP   A 1 14  ? -27.357 -5.546  -34.582 1.00 15.97 ? 20  ASP   B CA  1 
ATOM   111  C C   . ASP   A 1 14  ? -28.840 -5.148  -34.753 1.00 17.12 ? 20  ASP   B C   1 
ATOM   112  O O   . ASP   A 1 14  ? -29.731 -5.962  -34.482 1.00 15.44 ? 20  ASP   B O   1 
ATOM   113  C CB  . ASP   A 1 14  ? -27.083 -6.965  -35.079 1.00 16.88 ? 20  ASP   B CB  1 
ATOM   114  C CG  . ASP   A 1 14  ? -27.392 -7.216  -36.550 1.00 20.97 ? 20  ASP   B CG  1 
ATOM   115  O OD1 . ASP   A 1 14  ? -28.038 -6.350  -37.168 1.00 19.09 ? 20  ASP   B OD1 1 
ATOM   116  O OD2 . ASP   A 1 14  ? -27.019 -8.299  -37.060 1.00 19.41 ? 20  ASP   B OD2 1 
ATOM   117  N N   A ARG   A 1 15  ? -29.060 -3.907  -35.209 0.25 16.87 ? 21  ARG   B N   1 
ATOM   118  N N   B ARG   A 1 15  ? -29.089 -3.924  -35.222 0.25 17.95 ? 21  ARG   B N   1 
ATOM   119  C CA  A ARG   A 1 15  ? -30.386 -3.294  -35.523 0.25 17.73 ? 21  ARG   B CA  1 
ATOM   120  C CA  B ARG   A 1 15  ? -30.462 -3.363  -35.374 0.25 19.36 ? 21  ARG   B CA  1 
ATOM   121  C C   A ARG   A 1 15  ? -31.293 -4.265  -36.276 0.25 17.39 ? 21  ARG   B C   1 
ATOM   122  C C   B ARG   A 1 15  ? -31.319 -4.247  -36.294 0.25 18.40 ? 21  ARG   B C   1 
ATOM   123  O O   A ARG   A 1 15  ? -32.522 -4.260  -36.039 0.25 16.89 ? 21  ARG   B O   1 
ATOM   124  O O   B ARG   A 1 15  ? -32.560 -4.200  -36.154 0.25 17.62 ? 21  ARG   B O   1 
ATOM   125  C CB  A ARG   A 1 15  ? -30.210 -2.082  -36.448 0.25 17.79 ? 21  ARG   B CB  1 
ATOM   126  C CB  B ARG   A 1 15  ? -30.398 -1.934  -35.927 0.25 21.56 ? 21  ARG   B CB  1 
ATOM   127  C CG  A ARG   A 1 15  ? -29.514 -0.908  -35.785 0.25 19.22 ? 21  ARG   B CG  1 
ATOM   128  C CG  B ARG   A 1 15  ? -29.527 -0.984  -35.117 0.25 23.95 ? 21  ARG   B CG  1 
ATOM   129  C CD  A ARG   A 1 15  ? -29.522 0.366   -36.612 0.25 19.13 ? 21  ARG   B CD  1 
ATOM   130  C CD  B ARG   A 1 15  ? -28.164 -0.753  -35.755 0.25 27.36 ? 21  ARG   B CD  1 
ATOM   131  N NE  A ARG   A 1 15  ? -28.847 1.380   -35.824 0.25 18.52 ? 21  ARG   B NE  1 
ATOM   132  N NE  B ARG   A 1 15  ? -28.164 0.306   -36.764 0.25 28.11 ? 21  ARG   B NE  1 
ATOM   133  C CZ  A ARG   A 1 15  ? -29.430 2.009   -34.824 0.25 18.12 ? 21  ARG   B CZ  1 
ATOM   134  C CZ  B ARG   A 1 15  ? -27.786 0.161   -38.036 0.25 29.15 ? 21  ARG   B CZ  1 
ATOM   135  N NH1 A ARG   A 1 15  ? -30.688 1.738   -34.554 0.25 19.09 ? 21  ARG   B NH1 1 
ATOM   136  N NH1 B ARG   A 1 15  ? -27.353 -1.000  -38.488 0.25 29.20 ? 21  ARG   B NH1 1 
ATOM   137  N NH2 A ARG   A 1 15  ? -28.777 2.897   -34.108 0.25 19.13 ? 21  ARG   B NH2 1 
ATOM   138  N NH2 B ARG   A 1 15  ? -27.834 1.196   -38.853 0.25 31.55 ? 21  ARG   B NH2 1 
ATOM   139  N N   . ASN   A 1 16  ? -30.710 -5.013  -37.210 1.00 17.83 ? 22  ASN   B N   1 
ATOM   140  C CA  . ASN   A 1 16  ? -31.478 -5.838  -38.165 1.00 17.40 ? 22  ASN   B CA  1 
ATOM   141  C C   . ASN   A 1 16  ? -32.156 -6.995  -37.440 1.00 16.99 ? 22  ASN   B C   1 
ATOM   142  O O   . ASN   A 1 16  ? -33.161 -7.456  -37.959 1.00 17.07 ? 22  ASN   B O   1 
ATOM   143  C CB  . ASN   A 1 16  ? -30.609 -6.290  -39.345 1.00 21.93 ? 22  ASN   B CB  1 
ATOM   144  C CG  . ASN   A 1 16  ? -30.403 -5.177  -40.345 1.00 28.30 ? 22  ASN   B CG  1 
ATOM   145  O OD1 . ASN   A 1 16  ? -31.213 -4.254  -40.443 1.00 36.48 ? 22  ASN   B OD1 1 
ATOM   146  N ND2 . ASN   A 1 16  ? -29.308 -5.248  -41.081 1.00 37.98 ? 22  ASN   B ND2 1 
ATOM   147  N N   . THR   A 1 17  ? -31.633 -7.415  -36.274 1.00 14.11 ? 23  THR   B N   1 
ATOM   148  C CA  . THR   A 1 17  ? -32.198 -8.526  -35.495 1.00 14.23 ? 23  THR   B CA  1 
ATOM   149  C C   . THR   A 1 17  ? -33.257 -8.034  -34.510 1.00 13.29 ? 23  THR   B C   1 
ATOM   150  O O   . THR   A 1 17  ? -33.926 -8.875  -33.928 1.00 13.49 ? 23  THR   B O   1 
ATOM   151  C CB  . THR   A 1 17  ? -31.103 -9.282  -34.731 1.00 14.13 ? 23  THR   B CB  1 
ATOM   152  O OG1 . THR   A 1 17  ? -30.520 -8.453  -33.716 1.00 13.72 ? 23  THR   B OG1 1 
ATOM   153  C CG2 . THR   A 1 17  ? -30.089 -9.846  -35.716 1.00 14.66 ? 23  THR   B CG2 1 
ATOM   154  N N   . ALA   A 1 18  ? -33.340 -6.735  -34.290 1.00 13.30 ? 24  ALA   B N   1 
ATOM   155  C CA  . ALA   A 1 18  ? -34.117 -6.195  -33.153 1.00 12.67 ? 24  ALA   B CA  1 
ATOM   156  C C   . ALA   A 1 18  ? -35.618 -6.365  -33.432 1.00 13.34 ? 24  ALA   B C   1 
ATOM   157  O O   . ALA   A 1 18  ? -36.090 -6.095  -34.578 1.00 13.79 ? 24  ALA   B O   1 
ATOM   158  C CB  . ALA   A 1 18  ? -33.794 -4.748  -32.957 1.00 14.05 ? 24  ALA   B CB  1 
ATOM   159  N N   . ASN   A 1 19  ? -36.400 -6.713  -32.416 1.00 13.54 ? 25  ASN   B N   1 
ATOM   160  C CA  . ASN   A 1 19  ? -37.865 -6.496  -32.409 1.00 12.86 ? 25  ASN   B CA  1 
ATOM   161  C C   . ASN   A 1 19  ? -38.159 -5.060  -32.864 1.00 12.18 ? 25  ASN   B C   1 
ATOM   162  O O   . ASN   A 1 19  ? -37.444 -4.092  -32.503 1.00 11.81 ? 25  ASN   B O   1 
ATOM   163  C CB  . ASN   A 1 19  ? -38.381 -6.819  -31.009 1.00 13.27 ? 25  ASN   B CB  1 
ATOM   164  C CG  . ASN   A 1 19  ? -39.855 -6.574  -30.886 1.00 16.09 ? 25  ASN   B CG  1 
ATOM   165  O OD1 . ASN   A 1 19  ? -40.280 -5.450  -30.735 1.00 14.81 ? 25  ASN   B OD1 1 
ATOM   166  N ND2 . ASN   A 1 19  ? -40.619 -7.623  -30.984 1.00 19.92 ? 25  ASN   B ND2 1 
ATOM   167  N N   . SER   A 1 20  ? -39.245 -4.897  -33.597 1.00 12.83 ? 26  SER   B N   1 
ATOM   168  C CA  . SER   A 1 20  ? -39.583 -3.636  -34.292 1.00 13.75 ? 26  SER   B CA  1 
ATOM   169  C C   . SER   A 1 20  ? -39.935 -2.516  -33.308 1.00 13.93 ? 26  SER   B C   1 
ATOM   170  O O   . SER   A 1 20  ? -40.008 -1.371  -33.776 1.00 14.77 ? 26  SER   B O   1 
ATOM   171  C CB  . SER   A 1 20  ? -40.722 -3.856  -35.254 1.00 15.91 ? 26  SER   B CB  1 
ATOM   172  O OG  . SER   A 1 20  ? -41.853 -4.295  -34.527 1.00 17.03 ? 26  SER   B OG  1 
ATOM   173  N N   . TRP   A 1 21  ? -40.121 -2.788  -32.020 1.00 13.61 ? 27  TRP   B N   1 
ATOM   174  C CA  . TRP   A 1 21  ? -40.419 -1.765  -30.994 1.00 12.90 ? 27  TRP   B CA  1 
ATOM   175  C C   . TRP   A 1 21  ? -39.160 -1.298  -30.290 1.00 13.65 ? 27  TRP   B C   1 
ATOM   176  O O   . TRP   A 1 21  ? -39.253 -0.348  -29.503 1.00 13.52 ? 27  TRP   B O   1 
ATOM   177  C CB  . TRP   A 1 21  ? -41.424 -2.288  -29.997 1.00 14.21 ? 27  TRP   B CB  1 
ATOM   178  C CG  . TRP   A 1 21  ? -42.805 -2.398  -30.560 1.00 14.55 ? 27  TRP   B CG  1 
ATOM   179  C CD1 . TRP   A 1 21  ? -43.198 -2.934  -31.753 1.00 15.63 ? 27  TRP   B CD1 1 
ATOM   180  C CD2 . TRP   A 1 21  ? -43.995 -1.959  -29.903 1.00 16.10 ? 27  TRP   B CD2 1 
ATOM   181  N NE1 . TRP   A 1 21  ? -44.563 -2.830  -31.895 1.00 17.23 ? 27  TRP   B NE1 1 
ATOM   182  C CE2 . TRP   A 1 21  ? -45.077 -2.289  -30.752 1.00 16.36 ? 27  TRP   B CE2 1 
ATOM   183  C CE3 . TRP   A 1 21  ? -44.237 -1.359  -28.665 1.00 17.14 ? 27  TRP   B CE3 1 
ATOM   184  C CZ2 . TRP   A 1 21  ? -46.400 -1.998  -30.384 1.00 18.69 ? 27  TRP   B CZ2 1 
ATOM   185  C CZ3 . TRP   A 1 21  ? -45.540 -1.083  -28.297 1.00 18.48 ? 27  TRP   B CZ3 1 
ATOM   186  C CH2 . TRP   A 1 21  ? -46.594 -1.424  -29.144 1.00 18.85 ? 27  TRP   B CH2 1 
ATOM   187  N N   . LEU   A 1 22  ? -37.998 -1.884  -30.595 1.00 13.93 ? 28  LEU   B N   1 
ATOM   188  C CA  . LEU   A 1 22  ? -36.796 -1.474  -29.837 1.00 13.41 ? 28  LEU   B CA  1 
ATOM   189  C C   . LEU   A 1 22  ? -36.175 -0.224  -30.472 1.00 14.35 ? 28  LEU   B C   1 
ATOM   190  O O   . LEU   A 1 22  ? -36.172 -0.055  -31.701 1.00 13.20 ? 28  LEU   B O   1 
ATOM   191  C CB  . LEU   A 1 22  ? -35.769 -2.618  -29.825 1.00 12.54 ? 28  LEU   B CB  1 
ATOM   192  C CG  . LEU   A 1 22  ? -36.204 -3.913  -29.133 1.00 13.47 ? 28  LEU   B CG  1 
ATOM   193  C CD1 . LEU   A 1 22  ? -35.079 -4.944  -29.111 1.00 13.29 ? 28  LEU   B CD1 1 
ATOM   194  C CD2 . LEU   A 1 22  ? -36.666 -3.679  -27.727 1.00 13.91 ? 28  LEU   B CD2 1 
ATOM   195  N N   . ILE   A 1 23  ? -35.517 0.537   -29.622 1.00 13.08 ? 29  ILE   B N   1 
ATOM   196  C CA  . ILE   A 1 23  ? -34.751 1.745   -30.023 1.00 14.13 ? 29  ILE   B CA  1 
ATOM   197  C C   . ILE   A 1 23  ? -33.310 1.508   -29.570 1.00 13.95 ? 29  ILE   B C   1 
ATOM   198  O O   . ILE   A 1 23  ? -33.052 1.425   -28.335 1.00 14.33 ? 29  ILE   B O   1 
ATOM   199  C CB  . ILE   A 1 23  ? -35.312 3.009   -29.383 1.00 15.31 ? 29  ILE   B CB  1 
ATOM   200  C CG1 . ILE   A 1 23  ? -36.814 3.232   -29.708 1.00 15.83 ? 29  ILE   B CG1 1 
ATOM   201  C CG2 . ILE   A 1 23  ? -34.440 4.212   -29.772 1.00 16.70 ? 29  ILE   B CG2 1 
ATOM   202  C CD1 . ILE   A 1 23  ? -37.472 4.294   -28.931 1.00 16.81 ? 29  ILE   B CD1 1 
ATOM   203  N N   . ILE   A 1 24  ? -32.442 1.368   -30.556 1.00 16.79 ? 30  ILE   B N   1 
ATOM   204  C CA  . ILE   A 1 24  ? -30.978 1.191   -30.351 1.00 18.38 ? 30  ILE   B CA  1 
ATOM   205  C C   . ILE   A 1 24  ? -30.304 2.539   -30.547 1.00 20.99 ? 30  ILE   B C   1 
ATOM   206  O O   . ILE   A 1 24  ? -30.566 3.221   -31.592 1.00 20.73 ? 30  ILE   B O   1 
ATOM   207  C CB  . ILE   A 1 24  ? -30.458 0.129   -31.306 1.00 18.93 ? 30  ILE   B CB  1 
ATOM   208  C CG1 . ILE   A 1 24  ? -31.014 -1.232  -30.902 1.00 21.14 ? 30  ILE   B CG1 1 
ATOM   209  C CG2 . ILE   A 1 24  ? -28.933 0.116   -31.333 1.00 18.26 ? 30  ILE   B CG2 1 
ATOM   210  C CD1 . ILE   A 1 24  ? -30.757 -2.256  -31.855 1.00 22.78 ? 30  ILE   B CD1 1 
ATOM   211  N N   . SER   A 1 25  ? -29.432 2.903   -29.613 1.00 18.60 ? 31  SER   B N   1 
ATOM   212  C CA  . SER   A 1 25  ? -28.721 4.192   -29.649 1.00 18.44 ? 31  SER   B CA  1 
ATOM   213  C C   . SER   A 1 25  ? -27.837 4.269   -30.909 1.00 17.08 ? 31  SER   B C   1 
ATOM   214  O O   . SER   A 1 25  ? -27.456 3.238   -31.501 1.00 17.66 ? 31  SER   B O   1 
ATOM   215  C CB  . SER   A 1 25  ? -27.930 4.359   -28.394 1.00 19.56 ? 31  SER   B CB  1 
ATOM   216  O OG  . SER   A 1 25  ? -27.002 3.298   -28.295 1.00 17.77 ? 31  SER   B OG  1 
ATOM   217  N N   . LYS   A 1 26  ? -27.441 5.503   -31.278 1.00 20.94 ? 32  LYS   B N   1 
ATOM   218  C CA  . LYS   A 1 26  ? -26.562 5.751   -32.447 1.00 21.99 ? 32  LYS   B CA  1 
ATOM   219  C C   . LYS   A 1 26  ? -25.276 4.922   -32.327 1.00 19.87 ? 32  LYS   B C   1 
ATOM   220  O O   . LYS   A 1 26  ? -24.852 4.394   -33.352 1.00 22.41 ? 32  LYS   B O   1 
ATOM   221  C CB  . LYS   A 1 26  ? -26.216 7.244   -32.495 1.00 25.04 ? 32  LYS   B CB  1 
ATOM   222  C CG  . LYS   A 1 26  ? -25.324 7.611   -33.663 1.00 30.40 ? 32  LYS   B CG  1 
ATOM   223  C CD  . LYS   A 1 26  ? -25.364 9.084   -33.977 1.00 31.97 ? 32  LYS   B CD  1 
ATOM   224  C CE  . LYS   A 1 26  ? -25.097 9.925   -32.748 1.00 37.37 ? 32  LYS   B CE  1 
ATOM   225  N NZ  . LYS   A 1 26  ? -25.408 11.337  -33.021 1.00 40.89 ? 32  LYS   B NZ  1 
ATOM   226  N N   . ASP   A 1 27  ? -24.688 4.836   -31.130 1.00 21.22 ? 33  ASP   B N   1 
ATOM   227  C CA  . ASP   A 1 27  ? -23.397 4.110   -30.924 1.00 20.50 ? 33  ASP   B CA  1 
ATOM   228  C C   . ASP   A 1 27  ? -23.618 2.589   -30.874 1.00 20.50 ? 33  ASP   B C   1 
ATOM   229  O O   . ASP   A 1 27  ? -22.624 1.867   -30.708 1.00 18.41 ? 33  ASP   B O   1 
ATOM   230  C CB  . ASP   A 1 27  ? -22.651 4.635   -29.694 1.00 21.67 ? 33  ASP   B CB  1 
ATOM   231  C CG  . ASP   A 1 27  ? -23.330 4.374   -28.359 1.00 21.77 ? 33  ASP   B CG  1 
ATOM   232  O OD1 . ASP   A 1 27  ? -24.402 3.692   -28.329 1.00 20.72 ? 33  ASP   B OD1 1 
ATOM   233  O OD2 . ASP   A 1 27  ? -22.783 4.846   -27.359 1.00 24.55 ? 33  ASP   B OD2 1 
ATOM   234  N N   . ARG   A 1 28  ? -24.855 2.127   -30.933 1.00 17.57 ? 34  ARG   B N   1 
ATOM   235  C CA  . ARG   A 1 28  ? -25.188 0.678   -30.960 1.00 17.84 ? 34  ARG   B CA  1 
ATOM   236  C C   . ARG   A 1 28  ? -24.732 0.005   -29.643 1.00 15.02 ? 34  ARG   B C   1 
ATOM   237  O O   . ARG   A 1 28  ? -24.574 -1.227  -29.627 1.00 16.00 ? 34  ARG   B O   1 
ATOM   238  C CB  . ARG   A 1 28  ? -24.638 0.049   -32.247 1.00 21.82 ? 34  ARG   B CB  1 
ATOM   239  C CG  . ARG   A 1 28  ? -25.353 0.587   -33.490 1.00 25.92 ? 34  ARG   B CG  1 
ATOM   240  C CD  . ARG   A 1 28  ? -24.911 0.031   -34.810 1.00 34.44 ? 34  ARG   B CD  1 
ATOM   241  N NE  . ARG   A 1 28  ? -23.473 -0.015  -34.925 1.00 41.99 ? 34  ARG   B NE  1 
ATOM   242  C CZ  . ARG   A 1 28  ? -22.729 -1.114  -34.786 1.00 54.36 ? 34  ARG   B CZ  1 
ATOM   243  N NH1 . ARG   A 1 28  ? -23.286 -2.302  -34.539 1.00 56.91 ? 34  ARG   B NH1 1 
ATOM   244  N NH2 . ARG   A 1 28  ? -21.412 -1.012  -34.917 1.00 58.73 ? 34  ARG   B NH2 1 
ATOM   245  N N   . ARG   A 1 29  ? -24.680 0.757   -28.558 1.00 14.51 ? 35  ARG   B N   1 
ATOM   246  C CA  . ARG   A 1 29  ? -24.327 0.225   -27.211 1.00 16.00 ? 35  ARG   B CA  1 
ATOM   247  C C   . ARG   A 1 29  ? -25.488 0.245   -26.212 1.00 15.64 ? 35  ARG   B C   1 
ATOM   248  O O   . ARG   A 1 29  ? -25.293 -0.282  -25.106 1.00 15.92 ? 35  ARG   B O   1 
ATOM   249  C CB  . ARG   A 1 29  ? -23.151 1.018   -26.654 1.00 17.00 ? 35  ARG   B CB  1 
ATOM   250  C CG  . ARG   A 1 29  ? -21.952 0.879   -27.581 1.00 19.03 ? 35  ARG   B CG  1 
ATOM   251  C CD  . ARG   A 1 29  ? -21.008 -0.250  -27.299 1.00 22.36 ? 35  ARG   B CD  1 
ATOM   252  N NE  . ARG   A 1 29  ? -20.275 -0.025  -26.054 1.00 25.33 ? 35  ARG   B NE  1 
ATOM   253  C CZ  . ARG   A 1 29  ? -19.556 -0.976  -25.453 1.00 23.00 ? 35  ARG   B CZ  1 
ATOM   254  N NH1 . ARG   A 1 29  ? -19.453 -2.155  -26.032 1.00 25.37 ? 35  ARG   B NH1 1 
ATOM   255  N NH2 . ARG   A 1 29  ? -18.919 -0.725  -24.327 1.00 22.38 ? 35  ARG   B NH2 1 
ATOM   256  N N   . GLN   A 1 30  ? -26.644 0.838   -26.536 1.00 13.91 ? 36  GLN   B N   1 
ATOM   257  C CA  . GLN   A 1 30  ? -27.804 0.882   -25.619 1.00 14.00 ? 36  GLN   B CA  1 
ATOM   258  C C   . GLN   A 1 30  ? -29.069 0.511   -26.380 1.00 13.35 ? 36  GLN   B C   1 
ATOM   259  O O   . GLN   A 1 30  ? -29.145 0.735   -27.610 1.00 14.71 ? 36  GLN   B O   1 
ATOM   260  C CB  . GLN   A 1 30  ? -28.032 2.262   -24.986 1.00 16.01 ? 36  GLN   B CB  1 
ATOM   261  C CG  . GLN   A 1 30  ? -26.789 2.938   -24.480 1.00 20.12 ? 36  GLN   B CG  1 
ATOM   262  C CD  . GLN   A 1 30  ? -27.190 4.163   -23.695 1.00 22.45 ? 36  GLN   B CD  1 
ATOM   263  O OE1 . GLN   A 1 30  ? -28.342 4.318   -23.278 1.00 24.77 ? 36  GLN   B OE1 1 
ATOM   264  N NE2 . GLN   A 1 30  ? -26.224 5.021   -23.477 1.00 26.24 ? 36  GLN   B NE2 1 
ATOM   265  N N   . VAL   A 1 31  ? -29.989 -0.149  -25.682 1.00 12.42 ? 37  VAL   B N   1 
ATOM   266  C CA  . VAL   A 1 31  ? -31.280 -0.545  -26.302 1.00 12.76 ? 37  VAL   B CA  1 
ATOM   267  C C   . VAL   A 1 31  ? -32.359 -0.335  -25.238 1.00 12.76 ? 37  VAL   B C   1 
ATOM   268  O O   . VAL   A 1 31  ? -32.155 -0.700  -24.089 1.00 13.03 ? 37  VAL   B O   1 
ATOM   269  C CB  . VAL   A 1 31  ? -31.231 -1.965  -26.900 1.00 12.46 ? 37  VAL   B CB  1 
ATOM   270  C CG1 . VAL   A 1 31  ? -30.811 -3.068  -25.903 1.00 12.99 ? 37  VAL   B CG1 1 
ATOM   271  C CG2 . VAL   A 1 31  ? -32.561 -2.309  -27.554 1.00 14.15 ? 37  VAL   B CG2 1 
ATOM   272  N N   . ARG   A 1 32  ? -33.517 0.154   -25.639 1.00 13.23 ? 38  ARG   B N   1 
ATOM   273  C CA  . ARG   A 1 32  ? -34.695 0.225   -24.758 1.00 14.07 ? 38  ARG   B CA  1 
ATOM   274  C C   . ARG   A 1 32  ? -35.962 -0.075  -25.565 1.00 14.56 ? 38  ARG   B C   1 
ATOM   275  O O   . ARG   A 1 32  ? -35.963 -0.010  -26.820 1.00 12.66 ? 38  ARG   B O   1 
ATOM   276  C CB  . ARG   A 1 32  ? -34.865 1.591   -24.096 1.00 15.70 ? 38  ARG   B CB  1 
ATOM   277  C CG  . ARG   A 1 32  ? -35.032 2.750   -25.062 1.00 18.77 ? 38  ARG   B CG  1 
ATOM   278  C CD  . ARG   A 1 32  ? -34.967 4.081   -24.317 1.00 21.57 ? 38  ARG   B CD  1 
ATOM   279  N NE  . ARG   A 1 32  ? -35.214 5.180   -25.241 1.00 25.35 ? 38  ARG   B NE  1 
ATOM   280  C CZ  . ARG   A 1 32  ? -36.394 5.708   -25.504 1.00 25.69 ? 38  ARG   B CZ  1 
ATOM   281  N NH1 . ARG   A 1 32  ? -37.485 5.223   -24.949 1.00 27.02 ? 38  ARG   B NH1 1 
ATOM   282  N NH2 . ARG   A 1 32  ? -36.473 6.711   -26.374 1.00 30.03 ? 38  ARG   B NH2 1 
ATOM   283  N N   A MET   A 1 33  ? -37.022 -0.385  -24.822 0.25 14.45 ? 39  MET   B N   1 
ATOM   284  N N   B MET   A 1 33  ? -37.040 -0.438  -24.875 0.25 16.17 ? 39  MET   B N   1 
ATOM   285  C CA  A MET   A 1 33  ? -38.385 -0.625  -25.357 0.25 15.22 ? 39  MET   B CA  1 
ATOM   286  C CA  B MET   A 1 33  ? -38.316 -0.728  -25.578 0.25 17.94 ? 39  MET   B CA  1 
ATOM   287  C C   A MET   A 1 33  ? -38.993 0.729   -25.739 0.25 15.73 ? 39  MET   B C   1 
ATOM   288  C C   B MET   A 1 33  ? -39.098 0.575   -25.733 0.25 17.46 ? 39  MET   B C   1 
ATOM   289  O O   A MET   A 1 33  ? -38.976 1.643   -24.887 0.25 15.92 ? 39  MET   B O   1 
ATOM   290  O O   B MET   A 1 33  ? -39.375 1.227   -24.692 0.25 17.90 ? 39  MET   B O   1 
ATOM   291  C CB  A MET   A 1 33  ? -39.238 -1.317  -24.288 0.25 15.35 ? 39  MET   B CB  1 
ATOM   292  C CB  B MET   A 1 33  ? -39.197 -1.745  -24.856 0.25 20.67 ? 39  MET   B CB  1 
ATOM   293  C CG  A MET   A 1 33  ? -40.624 -1.721  -24.771 0.25 15.95 ? 39  MET   B CG  1 
ATOM   294  C CG  B MET   A 1 33  ? -40.520 -1.954  -25.599 0.25 23.36 ? 39  MET   B CG  1 
ATOM   295  S SD  A MET   A 1 33  ? -40.553 -2.746  -26.294 0.25 15.84 ? 39  MET   B SD  1 
ATOM   296  S SD  B MET   A 1 33  ? -41.195 -3.600  -25.338 0.25 25.80 ? 39  MET   B SD  1 
ATOM   297  C CE  A MET   A 1 33  ? -42.188 -3.477  -26.288 0.25 15.84 ? 39  MET   B CE  1 
ATOM   298  C CE  B MET   A 1 33  ? -42.276 -3.745  -26.759 0.25 25.43 ? 39  MET   B CE  1 
ATOM   299  N N   . GLY   A 1 34  ? -39.438 0.885   -26.988 1.00 16.87 ? 40  GLY   B N   1 
ATOM   300  C CA  . GLY   A 1 34  ? -40.227 2.074   -27.400 1.00 17.38 ? 40  GLY   B CA  1 
ATOM   301  C C   . GLY   A 1 34  ? -41.677 1.914   -26.979 1.00 17.19 ? 40  GLY   B C   1 
ATOM   302  O O   . GLY   A 1 34  ? -42.086 0.785   -26.591 1.00 18.35 ? 40  GLY   B O   1 
ATOM   303  N N   . ASP   A 1 35  ? -42.444 3.011   -27.025 1.00 21.11 ? 41  ASP   B N   1 
ATOM   304  C CA  . ASP   A 1 35  ? -43.886 2.931   -26.641 1.00 26.03 ? 41  ASP   B CA  1 
ATOM   305  C C   . ASP   A 1 35  ? -44.716 2.547   -27.895 1.00 25.68 ? 41  ASP   B C   1 
ATOM   306  O O   . ASP   A 1 35  ? -45.947 2.393   -27.750 1.00 24.26 ? 41  ASP   B O   1 
ATOM   307  C CB  . ASP   A 1 35  ? -44.327 4.194   -25.874 1.00 33.02 ? 41  ASP   B CB  1 
ATOM   308  C CG  . ASP   A 1 35  ? -43.882 4.275   -24.398 1.00 44.92 ? 41  ASP   B CG  1 
ATOM   309  O OD1 . ASP   A 1 35  ? -43.626 3.205   -23.770 1.00 48.74 ? 41  ASP   B OD1 1 
ATOM   310  O OD2 . ASP   A 1 35  ? -43.812 5.415   -23.845 1.00 46.59 ? 41  ASP   B OD2 1 
ATOM   311  N N   . THR   A 1 36  ? -44.086 2.247   -29.036 1.00 20.48 ? 42  THR   B N   1 
ATOM   312  C CA  . THR   A 1 36  ? -44.789 1.954   -30.329 1.00 18.59 ? 42  THR   B CA  1 
ATOM   313  C C   . THR   A 1 36  ? -43.849 1.261   -31.328 1.00 17.96 ? 42  THR   B C   1 
ATOM   314  O O   . THR   A 1 36  ? -42.581 1.234   -31.119 1.00 14.80 ? 42  THR   B O   1 
ATOM   315  C CB  . THR   A 1 36  ? -45.372 3.276   -30.851 1.00 19.62 ? 42  THR   B CB  1 
ATOM   316  O OG1 . THR   A 1 36  ? -46.281 3.026   -31.905 1.00 20.86 ? 42  THR   B OG1 1 
ATOM   317  C CG2 . THR   A 1 36  ? -44.284 4.175   -31.379 1.00 21.60 ? 42  THR   B CG2 1 
ATOM   318  N N   . HIS   A 1 37  ? -44.368 0.772   -32.454 1.00 16.83 ? 43  HIS   B N   1 
ATOM   319  C CA  . HIS   A 1 37  ? -43.536 0.326   -33.610 1.00 16.31 ? 43  HIS   B CA  1 
ATOM   320  C C   . HIS   A 1 37  ? -42.577 1.437   -34.042 1.00 16.61 ? 43  HIS   B C   1 
ATOM   321  O O   . HIS   A 1 37  ? -43.058 2.589   -34.208 1.00 18.71 ? 43  HIS   B O   1 
ATOM   322  C CB  . HIS   A 1 37  ? -44.464 -0.137  -34.737 1.00 16.72 ? 43  HIS   B CB  1 
ATOM   323  C CG  . HIS   A 1 37  ? -43.853 -0.834  -35.902 1.00 14.64 ? 43  HIS   B CG  1 
ATOM   324  N ND1 . HIS   A 1 37  ? -43.057 -0.190  -36.835 1.00 14.46 ? 43  HIS   B ND1 1 
ATOM   325  C CD2 . HIS   A 1 37  ? -44.002 -2.113  -36.330 1.00 15.74 ? 43  HIS   B CD2 1 
ATOM   326  C CE1 . HIS   A 1 37  ? -42.736 -1.060  -37.777 1.00 14.46 ? 43  HIS   B CE1 1 
ATOM   327  N NE2 . HIS   A 1 37  ? -43.297 -2.268  -37.479 1.00 15.33 ? 43  HIS   B NE2 1 
ATOM   328  N N   . GLN   A 1 38  ? -41.290 1.110   -34.277 1.00 15.31 ? 44  GLN   B N   1 
ATOM   329  C CA  . GLN   A 1 38  ? -40.246 2.110   -34.573 1.00 15.82 ? 44  GLN   B CA  1 
ATOM   330  C C   . GLN   A 1 38  ? -40.089 2.367   -36.085 1.00 16.52 ? 44  GLN   B C   1 
ATOM   331  O O   . GLN   A 1 38  ? -39.067 2.954   -36.504 1.00 18.48 ? 44  GLN   B O   1 
ATOM   332  C CB  . GLN   A 1 38  ? -38.941 1.707   -33.865 1.00 15.24 ? 44  GLN   B CB  1 
ATOM   333  C CG  . GLN   A 1 38  ? -39.073 1.777   -32.367 1.00 15.27 ? 44  GLN   B CG  1 
ATOM   334  C CD  . GLN   A 1 38  ? -39.558 3.109   -31.853 1.00 15.90 ? 44  GLN   B CD  1 
ATOM   335  O OE1 . GLN   A 1 38  ? -40.536 3.209   -31.115 1.00 19.57 ? 44  GLN   B OE1 1 
ATOM   336  N NE2 . GLN   A 1 38  ? -38.933 4.177   -32.325 1.00 15.31 ? 44  GLN   B NE2 1 
ATOM   337  N N   . ASN   A 1 39  ? -41.077 2.008   -36.898 1.00 16.03 ? 45  ASN   B N   1 
ATOM   338  C CA  . ASN   A 1 39  ? -41.170 2.443   -38.322 1.00 15.86 ? 45  ASN   B CA  1 
ATOM   339  C C   . ASN   A 1 39  ? -40.054 1.812   -39.153 1.00 16.42 ? 45  ASN   B C   1 
ATOM   340  O O   . ASN   A 1 39  ? -39.596 2.430   -40.111 1.00 19.34 ? 45  ASN   B O   1 
ATOM   341  C CB  . ASN   A 1 39  ? -41.231 3.972   -38.457 1.00 15.77 ? 45  ASN   B CB  1 
ATOM   342  C CG  . ASN   A 1 39  ? -41.831 4.405   -39.787 1.00 16.21 ? 45  ASN   B CG  1 
ATOM   343  O OD1 . ASN   A 1 39  ? -42.706 3.749   -40.326 1.00 14.88 ? 45  ASN   B OD1 1 
ATOM   344  N ND2 . ASN   A 1 39  ? -41.383 5.533   -40.322 1.00 15.24 ? 45  ASN   B ND2 1 
ATOM   345  N N   . VAL   A 1 40  ? -39.694 0.558   -38.853 1.00 17.53 ? 46  VAL   B N   1 
ATOM   346  C CA  . VAL   A 1 40  ? -38.710 -0.251  -39.631 1.00 18.48 ? 46  VAL   B CA  1 
ATOM   347  C C   . VAL   A 1 40  ? -39.470 -1.277  -40.477 1.00 17.69 ? 46  VAL   B C   1 
ATOM   348  O O   . VAL   A 1 40  ? -40.541 -1.671  -40.065 1.00 18.20 ? 46  VAL   B O   1 
ATOM   349  C CB  . VAL   A 1 40  ? -37.714 -0.953  -38.690 1.00 19.14 ? 46  VAL   B CB  1 
ATOM   350  C CG1 . VAL   A 1 40  ? -36.828 0.051   -37.982 1.00 22.69 ? 46  VAL   B CG1 1 
ATOM   351  C CG2 . VAL   A 1 40  ? -38.398 -1.841  -37.655 1.00 20.65 ? 46  VAL   B CG2 1 
ATOM   352  N N   . SER   A 1 41  ? -38.900 -1.707  -41.600 1.00 17.89 ? 47  SER   B N   1 
ATOM   353  C CA  . SER   A 1 41  ? -39.433 -2.853  -42.376 1.00 20.17 ? 47  SER   B CA  1 
ATOM   354  C C   . SER   A 1 41  ? -39.251 -4.160  -41.604 1.00 19.23 ? 47  SER   B C   1 
ATOM   355  O O   . SER   A 1 41  ? -38.320 -4.286  -40.800 1.00 18.29 ? 47  SER   B O   1 
ATOM   356  C CB  . SER   A 1 41  ? -38.805 -2.946  -43.756 1.00 22.54 ? 47  SER   B CB  1 
ATOM   357  O OG  . SER   A 1 41  ? -37.395 -3.059  -43.628 1.00 23.91 ? 47  SER   B OG  1 
ATOM   358  N N   . ASP   A 1 42  ? -40.089 -5.145  -41.881 1.00 19.56 ? 48  ASP   B N   1 
ATOM   359  C CA  . ASP   A 1 42  ? -39.945 -6.486  -41.286 1.00 19.42 ? 48  ASP   B CA  1 
ATOM   360  C C   . ASP   A 1 42  ? -38.869 -7.221  -42.082 1.00 20.70 ? 48  ASP   B C   1 
ATOM   361  O O   . ASP   A 1 42  ? -38.596 -6.847  -43.236 1.00 19.68 ? 48  ASP   B O   1 
ATOM   362  C CB  . ASP   A 1 42  ? -41.278 -7.214  -41.244 1.00 20.99 ? 48  ASP   B CB  1 
ATOM   363  C CG  . ASP   A 1 42  ? -41.218 -8.455  -40.383 1.00 25.08 ? 48  ASP   B CG  1 
ATOM   364  O OD1 . ASP   A 1 42  ? -40.512 -8.441  -39.312 1.00 20.04 ? 48  ASP   B OD1 1 
ATOM   365  O OD2 . ASP   A 1 42  ? -41.771 -9.460  -40.846 1.00 29.79 ? 48  ASP   B OD2 1 
ATOM   366  N N   . ASN   A 1 43  ? -38.227 -8.198  -41.450 1.00 19.24 ? 49  ASN   B N   1 
ATOM   367  C CA  . ASN   A 1 43  ? -37.230 -9.090  -42.089 1.00 19.30 ? 49  ASN   B CA  1 
ATOM   368  C C   . ASN   A 1 43  ? -37.204 -10.400 -41.296 1.00 20.90 ? 49  ASN   B C   1 
ATOM   369  O O   . ASN   A 1 43  ? -37.777 -10.462 -40.162 1.00 20.75 ? 49  ASN   B O   1 
ATOM   370  C CB  . ASN   A 1 43  ? -35.889 -8.395  -42.266 1.00 18.49 ? 49  ASN   B CB  1 
ATOM   371  C CG  . ASN   A 1 43  ? -35.142 -8.209  -40.959 1.00 18.97 ? 49  ASN   B CG  1 
ATOM   372  O OD1 . ASN   A 1 43  ? -34.917 -9.164  -40.226 1.00 23.41 ? 49  ASN   B OD1 1 
ATOM   373  N ND2 . ASN   A 1 43  ? -34.806 -6.997  -40.634 1.00 18.20 ? 49  ASN   B ND2 1 
ATOM   374  N N   . LYS   A 1 44  ? -36.571 -11.428 -41.836 1.00 19.67 ? 50  LYS   B N   1 
ATOM   375  C CA  . LYS   A 1 44  ? -36.654 -12.779 -41.248 1.00 21.11 ? 50  LYS   B CA  1 
ATOM   376  C C   . LYS   A 1 44  ? -35.756 -12.852 -39.991 1.00 18.91 ? 50  LYS   B C   1 
ATOM   377  O O   . LYS   A 1 44  ? -35.915 -13.860 -39.236 1.00 18.48 ? 50  LYS   B O   1 
ATOM   378  C CB  . LYS   A 1 44  ? -36.173 -13.816 -42.274 1.00 26.66 ? 50  LYS   B CB  1 
ATOM   379  C CG  . LYS   A 1 44  ? -34.693 -13.704 -42.583 1.00 32.42 ? 50  LYS   B CG  1 
ATOM   380  C CD  . LYS   A 1 44  ? -34.238 -14.500 -43.797 1.00 44.49 ? 50  LYS   B CD  1 
ATOM   381  C CE  . LYS   A 1 44  ? -32.729 -14.573 -43.891 1.00 50.33 ? 50  LYS   B CE  1 
ATOM   382  N NZ  . LYS   A 1 44  ? -32.317 -15.488 -44.981 1.00 56.07 ? 50  LYS   B NZ  1 
ATOM   383  N N   . GLU   A 1 45  ? -34.842 -11.897 -39.817 1.00 17.94 ? 51  GLU   B N   1 
ATOM   384  C CA  . GLU   A 1 45  ? -33.921 -11.874 -38.641 1.00 19.66 ? 51  GLU   B CA  1 
ATOM   385  C C   . GLU   A 1 45  ? -34.651 -11.361 -37.386 1.00 17.50 ? 51  GLU   B C   1 
ATOM   386  O O   . GLU   A 1 45  ? -34.196 -11.653 -36.244 1.00 18.32 ? 51  GLU   B O   1 
ATOM   387  C CB  . GLU   A 1 45  ? -32.719 -10.985 -38.906 1.00 22.90 ? 51  GLU   B CB  1 
ATOM   388  C CG  . GLU   A 1 45  ? -31.781 -11.516 -39.972 1.00 28.74 ? 51  GLU   B CG  1 
ATOM   389  C CD  . GLU   A 1 45  ? -30.600 -10.578 -40.181 1.00 36.49 ? 51  GLU   B CD  1 
ATOM   390  O OE1 . GLU   A 1 45  ? -30.532 -9.968  -41.273 1.00 49.47 ? 51  GLU   B OE1 1 
ATOM   391  O OE2 . GLU   A 1 45  ? -29.775 -10.406 -39.257 1.00 45.49 ? 51  GLU   B OE2 1 
ATOM   392  N N   . ARG   A 1 46  ? -35.692 -10.551 -37.525 1.00 15.46 ? 52  ARG   B N   1 
ATOM   393  C CA  . ARG   A 1 46  ? -36.204 -9.833  -36.323 1.00 15.08 ? 52  ARG   B CA  1 
ATOM   394  C C   . ARG   A 1 46  ? -36.948 -10.759 -35.357 1.00 14.36 ? 52  ARG   B C   1 
ATOM   395  O O   . ARG   A 1 46  ? -37.784 -11.611 -35.762 1.00 15.93 ? 52  ARG   B O   1 
ATOM   396  C CB  . ARG   A 1 46  ? -37.170 -8.715  -36.706 1.00 15.10 ? 52  ARG   B CB  1 
ATOM   397  C CG  . ARG   A 1 46  ? -36.536 -7.561  -37.449 1.00 15.90 ? 52  ARG   B CG  1 
ATOM   398  C CD  . ARG   A 1 46  ? -37.544 -6.398  -37.469 1.00 14.79 ? 52  ARG   B CD  1 
ATOM   399  N NE  . ARG   A 1 46  ? -37.005 -5.393  -38.349 1.00 16.11 ? 52  ARG   B NE  1 
ATOM   400  C CZ  . ARG   A 1 46  ? -35.945 -4.645  -38.095 1.00 16.81 ? 52  ARG   B CZ  1 
ATOM   401  N NH1 . ARG   A 1 46  ? -35.325 -4.699  -36.910 1.00 15.10 ? 52  ARG   B NH1 1 
ATOM   402  N NH2 . ARG   A 1 46  ? -35.500 -3.813  -39.041 1.00 18.29 ? 52  ARG   B NH2 1 
ATOM   403  N N   . PHE   A 1 47  ? -36.648 -10.683 -34.056 1.00 13.28 ? 53  PHE   B N   1 
ATOM   404  C CA  . PHE   A 1 47  ? -37.454 -11.408 -33.054 1.00 12.81 ? 53  PHE   B CA  1 
ATOM   405  C C   . PHE   A 1 47  ? -38.873 -10.808 -33.069 1.00 15.23 ? 53  PHE   B C   1 
ATOM   406  O O   . PHE   A 1 47  ? -39.013 -9.622  -32.822 1.00 14.78 ? 53  PHE   B O   1 
ATOM   407  C CB  . PHE   A 1 47  ? -36.853 -11.327 -31.660 1.00 12.48 ? 53  PHE   B CB  1 
ATOM   408  C CG  . PHE   A 1 47  ? -35.611 -12.169 -31.523 1.00 12.00 ? 53  PHE   B CG  1 
ATOM   409  C CD1 . PHE   A 1 47  ? -35.712 -13.528 -31.285 1.00 12.20 ? 53  PHE   B CD1 1 
ATOM   410  C CD2 . PHE   A 1 47  ? -34.355 -11.597 -31.591 1.00 13.62 ? 53  PHE   B CD2 1 
ATOM   411  C CE1 . PHE   A 1 47  ? -34.577 -14.317 -31.147 1.00 13.51 ? 53  PHE   B CE1 1 
ATOM   412  C CE2 . PHE   A 1 47  ? -33.228 -12.400 -31.414 1.00 14.07 ? 53  PHE   B CE2 1 
ATOM   413  C CZ  . PHE   A 1 47  ? -33.346 -13.761 -31.225 1.00 13.19 ? 53  PHE   B CZ  1 
ATOM   414  N N   . SER   A 1 48  ? -39.889 -11.616 -33.297 1.00 15.14 ? 54  SER   B N   1 
ATOM   415  C CA  . SER   A 1 48  ? -41.256 -11.064 -33.496 1.00 17.74 ? 54  SER   B CA  1 
ATOM   416  C C   . SER   A 1 48  ? -42.037 -10.947 -32.185 1.00 16.64 ? 54  SER   B C   1 
ATOM   417  O O   . SER   A 1 48  ? -42.819 -9.978  -32.048 1.00 21.13 ? 54  SER   B O   1 
ATOM   418  C CB  . SER   A 1 48  ? -41.999 -11.877 -34.513 1.00 16.87 ? 54  SER   B CB  1 
ATOM   419  O OG  . SER   A 1 48  ? -42.152 -13.214 -34.084 1.00 16.76 ? 54  SER   B OG  1 
ATOM   420  N N   . ASN   A 1 49  ? -41.898 -11.874 -31.259 1.00 15.56 ? 55  ASN   B N   1 
ATOM   421  C CA  . ASN   A 1 49  ? -42.833 -12.010 -30.119 1.00 16.61 ? 55  ASN   B CA  1 
ATOM   422  C C   . ASN   A 1 49  ? -42.323 -11.311 -28.858 1.00 14.96 ? 55  ASN   B C   1 
ATOM   423  O O   . ASN   A 1 49  ? -43.117 -11.164 -27.868 1.00 16.62 ? 55  ASN   B O   1 
ATOM   424  C CB  . ASN   A 1 49  ? -43.157 -13.452 -29.807 1.00 17.45 ? 55  ASN   B CB  1 
ATOM   425  C CG  . ASN   A 1 49  ? -44.068 -14.113 -30.841 1.00 22.64 ? 55  ASN   B CG  1 
ATOM   426  O OD1 . ASN   A 1 49  ? -43.864 -14.006 -32.050 1.00 23.23 ? 55  ASN   B OD1 1 
ATOM   427  N ND2 . ASN   A 1 49  ? -45.050 -14.849 -30.349 1.00 26.98 ? 55  ASN   B ND2 1 
ATOM   428  N N   . TYR   A 1 50  ? -41.020 -11.042 -28.802 1.00 12.82 ? 56  TYR   B N   1 
ATOM   429  C CA  . TYR   A 1 50  ? -40.397 -10.562 -27.548 1.00 12.70 ? 56  TYR   B CA  1 
ATOM   430  C C   . TYR   A 1 50  ? -39.451 -9.409  -27.866 1.00 12.55 ? 56  TYR   B C   1 
ATOM   431  O O   . TYR   A 1 50  ? -38.881 -9.336  -28.961 1.00 12.89 ? 56  TYR   B O   1 
ATOM   432  C CB  . TYR   A 1 50  ? -39.594 -11.682 -26.888 1.00 13.08 ? 56  TYR   B CB  1 
ATOM   433  C CG  . TYR   A 1 50  ? -40.307 -13.005 -26.743 1.00 13.17 ? 56  TYR   B CG  1 
ATOM   434  C CD1 . TYR   A 1 50  ? -41.289 -13.189 -25.783 1.00 14.27 ? 56  TYR   B CD1 1 
ATOM   435  C CD2 . TYR   A 1 50  ? -40.026 -14.074 -27.570 1.00 14.19 ? 56  TYR   B CD2 1 
ATOM   436  C CE1 . TYR   A 1 50  ? -41.977 -14.399 -25.645 1.00 16.92 ? 56  TYR   B CE1 1 
ATOM   437  C CE2 . TYR   A 1 50  ? -40.726 -15.272 -27.483 1.00 16.02 ? 56  TYR   B CE2 1 
ATOM   438  C CZ  . TYR   A 1 50  ? -41.685 -15.442 -26.502 1.00 16.72 ? 56  TYR   B CZ  1 
ATOM   439  O OH  . TYR   A 1 50  ? -42.311 -16.654 -26.391 1.00 17.94 ? 56  TYR   B OH  1 
ATOM   440  N N   . PRO   A 1 51  ? -39.166 -8.557  -26.865 1.00 11.59 ? 57  PRO   B N   1 
ATOM   441  C CA  . PRO   A 1 51  ? -38.286 -7.395  -27.064 1.00 11.61 ? 57  PRO   B CA  1 
ATOM   442  C C   . PRO   A 1 51  ? -36.777 -7.735  -27.037 1.00 11.88 ? 57  PRO   B C   1 
ATOM   443  O O   . PRO   A 1 51  ? -36.020 -7.188  -26.220 1.00 12.23 ? 57  PRO   B O   1 
ATOM   444  C CB  . PRO   A 1 51  ? -38.642 -6.452  -25.893 1.00 13.47 ? 57  PRO   B CB  1 
ATOM   445  C CG  . PRO   A 1 51  ? -39.858 -7.066  -25.234 1.00 13.51 ? 57  PRO   B CG  1 
ATOM   446  C CD  . PRO   A 1 51  ? -39.831 -8.527  -25.566 1.00 12.77 ? 57  PRO   B CD  1 
ATOM   447  N N   . MET   A 1 52  ? -36.387 -8.610  -27.978 1.00 12.01 ? 58  MET   B N   1 
ATOM   448  C CA  . MET   A 1 52  ? -35.026 -9.187  -28.063 1.00 10.60 ? 58  MET   B CA  1 
ATOM   449  C C   . MET   A 1 52  ? -34.214 -8.601  -29.213 1.00 11.19 ? 58  MET   B C   1 
ATOM   450  O O   . MET   A 1 52  ? -34.754 -8.126  -30.249 1.00 11.15 ? 58  MET   B O   1 
ATOM   451  C CB  . MET   A 1 52  ? -35.146 -10.702 -28.232 1.00 10.68 ? 58  MET   B CB  1 
ATOM   452  C CG  . MET   A 1 52  ? -35.713 -11.386 -27.037 1.00 10.01 ? 58  MET   B CG  1 
ATOM   453  S SD  . MET   A 1 52  ? -36.231 -13.107 -27.430 1.00 12.20 ? 58  MET   B SD  1 
ATOM   454  C CE  . MET   A 1 52  ? -36.851 -13.728 -25.881 1.00 11.97 ? 58  MET   B CE  1 
ATOM   455  N N   . VAL   A 1 53  ? -32.891 -8.687  -29.077 1.00 11.20 ? 59  VAL   B N   1 
ATOM   456  C CA  . VAL   A 1 53  ? -31.932 -8.179  -30.080 1.00 11.03 ? 59  VAL   B CA  1 
ATOM   457  C C   . VAL   A 1 53  ? -30.631 -8.972  -29.876 1.00 11.00 ? 59  VAL   B C   1 
ATOM   458  O O   . VAL   A 1 53  ? -30.367 -9.422  -28.709 1.00 10.59 ? 59  VAL   B O   1 
ATOM   459  C CB  . VAL   A 1 53  ? -31.747 -6.652  -30.015 1.00 11.93 ? 59  VAL   B CB  1 
ATOM   460  C CG1 . VAL   A 1 53  ? -31.206 -6.178  -28.695 1.00 12.10 ? 59  VAL   B CG1 1 
ATOM   461  C CG2 . VAL   A 1 53  ? -30.891 -6.134  -31.173 1.00 12.98 ? 59  VAL   B CG2 1 
ATOM   462  N N   . LEU   A 1 54  ? -29.857 -9.126  -30.937 1.00 11.63 ? 60  LEU   B N   1 
ATOM   463  C CA  . LEU   A 1 54  ? -28.543 -9.811  -30.857 1.00 12.08 ? 60  LEU   B CA  1 
ATOM   464  C C   . LEU   A 1 54  ? -27.408 -8.821  -30.993 1.00 11.81 ? 60  LEU   B C   1 
ATOM   465  O O   . LEU   A 1 54  ? -27.544 -7.736  -31.659 1.00 12.04 ? 60  LEU   B O   1 
ATOM   466  C CB  . LEU   A 1 54  ? -28.401 -10.873 -31.940 1.00 12.07 ? 60  LEU   B CB  1 
ATOM   467  C CG  . LEU   A 1 54  ? -29.451 -11.958 -31.997 1.00 12.44 ? 60  LEU   B CG  1 
ATOM   468  C CD1 . LEU   A 1 54  ? -29.136 -13.052 -33.006 1.00 14.34 ? 60  LEU   B CD1 1 
ATOM   469  C CD2 . LEU   A 1 54  ? -29.688 -12.596 -30.628 1.00 12.79 ? 60  LEU   B CD2 1 
ATOM   470  N N   . GLY   A 1 55  ? -26.255 -9.174  -30.425 1.00 11.89 ? 61  GLY   B N   1 
ATOM   471  C CA  . GLY   A 1 55  ? -25.015 -8.458  -30.761 1.00 12.63 ? 61  GLY   B CA  1 
ATOM   472  C C   . GLY   A 1 55  ? -24.612 -8.785  -32.187 1.00 12.02 ? 61  GLY   B C   1 
ATOM   473  O O   . GLY   A 1 55  ? -24.940 -9.894  -32.690 1.00 13.19 ? 61  GLY   B O   1 
ATOM   474  N N   . ALA   A 1 56  ? -23.838 -7.914  -32.787 1.00 14.65 ? 62  ALA   B N   1 
ATOM   475  C CA  . ALA   A 1 56  ? -23.335 -8.084  -34.164 1.00 15.91 ? 62  ALA   B CA  1 
ATOM   476  C C   . ALA   A 1 56  ? -22.225 -9.144  -34.200 1.00 17.14 ? 62  ALA   B C   1 
ATOM   477  O O   . ALA   A 1 56  ? -22.080 -9.853  -35.242 1.00 19.99 ? 62  ALA   B O   1 
ATOM   478  C CB  . ALA   A 1 56  ? -22.844 -6.756  -34.632 1.00 16.65 ? 62  ALA   B CB  1 
ATOM   479  N N   . GLN   A 1 57  ? -21.468 -9.255  -33.117 1.00 16.93 ? 63  GLN   B N   1 
ATOM   480  C CA  . GLN   A 1 57  ? -20.274 -10.128 -33.097 1.00 16.49 ? 63  GLN   B CA  1 
ATOM   481  C C   . GLN   A 1 57  ? -20.707 -11.595 -33.120 1.00 17.21 ? 63  GLN   B C   1 
ATOM   482  O O   . GLN   A 1 57  ? -21.698 -11.948 -32.457 1.00 15.65 ? 63  GLN   B O   1 
ATOM   483  C CB  . GLN   A 1 57  ? -19.427 -9.794  -31.862 1.00 17.53 ? 63  GLN   B CB  1 
ATOM   484  C CG  . GLN   A 1 57  ? -18.747 -8.433  -31.907 1.00 19.18 ? 63  GLN   B CG  1 
ATOM   485  C CD  . GLN   A 1 57  ? -19.711 -7.265  -31.775 1.00 19.32 ? 63  GLN   B CD  1 
ATOM   486  O OE1 . GLN   A 1 57  ? -20.701 -7.331  -31.057 1.00 17.85 ? 63  GLN   B OE1 1 
ATOM   487  N NE2 . GLN   A 1 57  ? -19.444 -6.176  -32.465 1.00 20.54 ? 63  GLN   B NE2 1 
ATOM   488  N N   . ARG   A 1 58  ? -19.967 -12.450 -33.842 1.00 16.57 ? 64  ARG   B N   1 
ATOM   489  C CA  . ARG   A 1 58  ? -20.134 -13.922 -33.828 1.00 16.59 ? 64  ARG   B CA  1 
ATOM   490  C C   . ARG   A 1 58  ? -18.849 -14.540 -33.271 1.00 16.92 ? 64  ARG   B C   1 
ATOM   491  O O   . ARG   A 1 58  ? -17.736 -14.073 -33.619 1.00 18.57 ? 64  ARG   B O   1 
ATOM   492  C CB  . ARG   A 1 58  ? -20.329 -14.511 -35.232 1.00 21.88 ? 64  ARG   B CB  1 
ATOM   493  C CG  . ARG   A 1 58  ? -21.717 -14.364 -35.857 1.00 28.40 ? 64  ARG   B CG  1 
ATOM   494  C CD  . ARG   A 1 58  ? -22.193 -12.925 -35.927 1.00 30.70 ? 64  ARG   B CD  1 
ATOM   495  N NE  . ARG   A 1 58  ? -23.182 -12.421 -36.904 1.00 36.91 ? 64  ARG   B NE  1 
ATOM   496  C CZ  . ARG   A 1 58  ? -23.800 -13.082 -37.896 1.00 37.89 ? 64  ARG   B CZ  1 
ATOM   497  N NH1 . ARG   A 1 58  ? -24.663 -12.433 -38.658 1.00 43.00 ? 64  ARG   B NH1 1 
ATOM   498  N NH2 . ARG   A 1 58  ? -23.608 -14.364 -38.132 1.00 43.68 ? 64  ARG   B NH2 1 
ATOM   499  N N   . PHE   A 1 59  ? -18.986 -15.472 -32.347 1.00 15.21 ? 65  PHE   B N   1 
ATOM   500  C CA  . PHE   A 1 59  ? -17.846 -16.150 -31.662 1.00 15.76 ? 65  PHE   B CA  1 
ATOM   501  C C   . PHE   A 1 59  ? -17.910 -17.645 -31.972 1.00 14.00 ? 65  PHE   B C   1 
ATOM   502  O O   . PHE   A 1 59  ? -18.955 -18.278 -31.764 1.00 13.00 ? 65  PHE   B O   1 
ATOM   503  C CB  . PHE   A 1 59  ? -17.955 -15.891 -30.143 1.00 17.38 ? 65  PHE   B CB  1 
ATOM   504  C CG  . PHE   A 1 59  ? -17.975 -14.418 -29.783 1.00 19.09 ? 65  PHE   B CG  1 
ATOM   505  C CD1 . PHE   A 1 59  ? -16.983 -13.572 -30.251 1.00 21.99 ? 65  PHE   B CD1 1 
ATOM   506  C CD2 . PHE   A 1 59  ? -18.959 -13.890 -28.990 1.00 25.96 ? 65  PHE   B CD2 1 
ATOM   507  C CE1 . PHE   A 1 59  ? -16.983 -12.212 -29.971 1.00 24.64 ? 65  PHE   B CE1 1 
ATOM   508  C CE2 . PHE   A 1 59  ? -18.936 -12.536 -28.670 1.00 20.74 ? 65  PHE   B CE2 1 
ATOM   509  C CZ  . PHE   A 1 59  ? -17.967 -11.711 -29.170 1.00 22.25 ? 65  PHE   B CZ  1 
ATOM   510  N N   A SER   A 1 60  ? -16.802 -18.228 -32.438 0.25 14.33 ? 66  SER   B N   1 
ATOM   511  N N   B SER   A 1 60  ? -16.793 -18.207 -32.459 0.25 14.24 ? 66  SER   B N   1 
ATOM   512  C CA  A SER   A 1 60  ? -16.711 -19.683 -32.731 0.25 14.68 ? 66  SER   B CA  1 
ATOM   513  C CA  B SER   A 1 60  ? -16.636 -19.646 -32.809 0.25 14.55 ? 66  SER   B CA  1 
ATOM   514  C C   A SER   A 1 60  ? -15.483 -20.291 -32.036 0.25 14.49 ? 66  SER   B C   1 
ATOM   515  C C   B SER   A 1 60  ? -15.355 -20.218 -32.196 0.25 15.20 ? 66  SER   B C   1 
ATOM   516  O O   A SER   A 1 60  ? -15.323 -21.519 -32.103 0.25 13.82 ? 66  SER   B O   1 
ATOM   517  O O   B SER   A 1 60  ? -14.926 -21.284 -32.654 0.25 14.43 ? 66  SER   B O   1 
ATOM   518  C CB  A SER   A 1 60  ? -16.749 -19.939 -34.225 0.25 14.98 ? 66  SER   B CB  1 
ATOM   519  C CB  B SER   A 1 60  ? -16.614 -19.857 -34.293 0.25 14.17 ? 66  SER   B CB  1 
ATOM   520  O OG  A SER   A 1 60  ? -18.088 -19.770 -34.731 0.25 15.59 ? 66  SER   B OG  1 
ATOM   521  O OG  B SER   A 1 60  ? -15.564 -19.125 -34.880 0.25 13.82 ? 66  SER   B OG  1 
ATOM   522  N N   A SER   A 1 61  ? -14.688 -19.467 -31.344 0.25 14.18 ? 67  SER   B N   1 
ATOM   523  N N   B SER   A 1 61  ? -14.754 -19.513 -31.238 0.25 15.84 ? 67  SER   B N   1 
ATOM   524  C CA  A SER   A 1 61  ? -13.484 -19.896 -30.592 0.25 14.82 ? 67  SER   B CA  1 
ATOM   525  C CA  B SER   A 1 61  ? -13.493 -19.919 -30.578 0.25 17.28 ? 67  SER   B CA  1 
ATOM   526  C C   A SER   A 1 61  ? -13.198 -18.913 -29.457 0.25 15.37 ? 67  SER   B C   1 
ATOM   527  C C   B SER   A 1 61  ? -13.098 -18.871 -29.540 0.25 16.77 ? 67  SER   B C   1 
ATOM   528  O O   A SER   A 1 61  ? -13.857 -17.871 -29.402 0.25 15.10 ? 67  SER   B O   1 
ATOM   529  O O   B SER   A 1 61  ? -13.543 -17.720 -29.672 0.25 15.92 ? 67  SER   B O   1 
ATOM   530  C CB  A SER   A 1 61  ? -12.291 -20.001 -31.508 0.25 14.73 ? 67  SER   B CB  1 
ATOM   531  C CB  B SER   A 1 61  ? -12.397 -20.100 -31.595 0.25 18.90 ? 67  SER   B CB  1 
ATOM   532  O OG  A SER   A 1 61  ? -11.874 -18.720 -31.936 0.25 13.52 ? 67  SER   B OG  1 
ATOM   533  O OG  B SER   A 1 61  ? -11.224 -20.598 -30.972 0.25 21.24 ? 67  SER   B OG  1 
ATOM   534  N N   . GLY   A 1 62  ? -12.242 -19.258 -28.592 1.00 17.44 ? 68  GLY   B N   1 
ATOM   535  C CA  . GLY   A 1 62  ? -11.640 -18.290 -27.670 1.00 17.73 ? 68  GLY   B CA  1 
ATOM   536  C C   . GLY   A 1 62  ? -12.473 -18.024 -26.430 1.00 15.99 ? 68  GLY   B C   1 
ATOM   537  O O   . GLY   A 1 62  ? -13.483 -18.717 -26.181 1.00 15.69 ? 68  GLY   B O   1 
ATOM   538  N N   . LYS   A 1 63  ? -11.975 -17.056 -25.693 1.00 15.57 ? 69  LYS   B N   1 
ATOM   539  C CA  . LYS   A 1 63  ? -12.541 -16.568 -24.437 1.00 16.04 ? 69  LYS   B CA  1 
ATOM   540  C C   . LYS   A 1 63  ? -12.952 -15.122 -24.681 1.00 15.55 ? 69  LYS   B C   1 
ATOM   541  O O   . LYS   A 1 63  ? -12.183 -14.338 -25.215 1.00 17.24 ? 69  LYS   B O   1 
ATOM   542  C CB  . LYS   A 1 63  ? -11.533 -16.774 -23.308 1.00 18.04 ? 69  LYS   B CB  1 
ATOM   543  C CG  . LYS   A 1 63  ? -11.129 -18.215 -23.018 1.00 18.32 ? 69  LYS   B CG  1 
ATOM   544  C CD  . LYS   A 1 63  ? -10.011 -18.276 -21.935 1.00 22.14 ? 69  LYS   B CD  1 
ATOM   545  C CE  . LYS   A 1 63  ? -9.533  -19.675 -21.631 1.00 26.10 ? 69  LYS   B CE  1 
ATOM   546  N NZ  . LYS   A 1 63  ? -8.526  -19.640 -20.541 1.00 28.85 ? 69  LYS   B NZ  1 
ATOM   547  N N   . MET   A 1 64  ? -14.167 -14.772 -24.259 1.00 15.08 ? 70  MET   B N   1 
ATOM   548  C CA  . MET   A 1 64  ? -14.820 -13.473 -24.499 1.00 13.88 ? 70  MET   B CA  1 
ATOM   549  C C   . MET   A 1 64  ? -15.495 -13.041 -23.200 1.00 13.00 ? 70  MET   B C   1 
ATOM   550  O O   . MET   A 1 64  ? -16.082 -13.881 -22.509 1.00 14.40 ? 70  MET   B O   1 
ATOM   551  C CB  . MET   A 1 64  ? -15.923 -13.598 -25.543 1.00 14.20 ? 70  MET   B CB  1 
ATOM   552  C CG  . MET   A 1 64  ? -15.478 -13.729 -26.980 1.00 16.58 ? 70  MET   B CG  1 
ATOM   553  S SD  . MET   A 1 64  ? -14.738 -15.326 -27.462 1.00 17.56 ? 70  MET   B SD  1 
ATOM   554  C CE  . MET   A 1 64  ? -15.979 -16.523 -27.010 1.00 17.05 ? 70  MET   B CE  1 
ATOM   555  N N   . TYR   A 1 65  ? -15.458 -11.765 -22.894 1.00 12.69 ? 71  TYR   B N   1 
ATOM   556  C CA  . TYR   A 1 65  ? -16.078 -11.196 -21.672 1.00 13.14 ? 71  TYR   B CA  1 
ATOM   557  C C   . TYR   A 1 65  ? -16.694 -9.862  -22.055 1.00 14.18 ? 71  TYR   B C   1 
ATOM   558  O O   . TYR   A 1 65  ? -16.046 -9.000  -22.744 1.00 15.32 ? 71  TYR   B O   1 
ATOM   559  C CB  . TYR   A 1 65  ? -15.023 -11.018 -20.571 1.00 15.19 ? 71  TYR   B CB  1 
ATOM   560  C CG  . TYR   A 1 65  ? -15.565 -10.400 -19.309 1.00 14.44 ? 71  TYR   B CG  1 
ATOM   561  C CD1 . TYR   A 1 65  ? -16.250 -11.179 -18.395 1.00 13.69 ? 71  TYR   B CD1 1 
ATOM   562  C CD2 . TYR   A 1 65  ? -15.408 -9.048  -19.042 1.00 14.79 ? 71  TYR   B CD2 1 
ATOM   563  C CE1 . TYR   A 1 65  ? -16.762 -10.636 -17.220 1.00 15.81 ? 71  TYR   B CE1 1 
ATOM   564  C CE2 . TYR   A 1 65  ? -15.902 -8.487  -17.874 1.00 14.05 ? 71  TYR   B CE2 1 
ATOM   565  C CZ  . TYR   A 1 65  ? -16.593 -9.271  -16.977 1.00 14.75 ? 71  TYR   B CZ  1 
ATOM   566  O OH  . TYR   A 1 65  ? -17.084 -8.683  -15.837 1.00 17.00 ? 71  TYR   B OH  1 
ATOM   567  N N   . TRP   A 1 66  ? -17.888 -9.593  -21.554 1.00 11.96 ? 72  TRP   B N   1 
ATOM   568  C CA  . TRP   A 1 66  ? -18.469 -8.240  -21.641 1.00 12.39 ? 72  TRP   B CA  1 
ATOM   569  C C   . TRP   A 1 66  ? -19.378 -7.969  -20.427 1.00 12.85 ? 72  TRP   B C   1 
ATOM   570  O O   . TRP   A 1 66  ? -19.711 -8.929  -19.675 1.00 13.00 ? 72  TRP   B O   1 
ATOM   571  C CB  . TRP   A 1 66  ? -19.217 -8.033  -22.979 1.00 11.79 ? 72  TRP   B CB  1 
ATOM   572  C CG  . TRP   A 1 66  ? -20.398 -8.916  -23.226 1.00 12.22 ? 72  TRP   B CG  1 
ATOM   573  C CD1 . TRP   A 1 66  ? -21.731 -8.622  -23.018 1.00 12.69 ? 72  TRP   B CD1 1 
ATOM   574  C CD2 . TRP   A 1 66  ? -20.382 -10.227 -23.798 1.00 12.83 ? 72  TRP   B CD2 1 
ATOM   575  N NE1 . TRP   A 1 66  ? -22.520 -9.661  -23.455 1.00 12.31 ? 72  TRP   B NE1 1 
ATOM   576  C CE2 . TRP   A 1 66  ? -21.715 -10.692 -23.861 1.00 13.20 ? 72  TRP   B CE2 1 
ATOM   577  C CE3 . TRP   A 1 66  ? -19.350 -11.081 -24.205 1.00 14.94 ? 72  TRP   B CE3 1 
ATOM   578  C CZ2 . TRP   A 1 66  ? -22.050 -11.921 -24.409 1.00 13.91 ? 72  TRP   B CZ2 1 
ATOM   579  C CZ3 . TRP   A 1 66  ? -19.675 -12.325 -24.696 1.00 16.50 ? 72  TRP   B CZ3 1 
ATOM   580  C CH2 . TRP   A 1 66  ? -21.002 -12.743 -24.780 1.00 15.55 ? 72  TRP   B CH2 1 
ATOM   581  N N   . GLU   A 1 67  ? -19.807 -6.707  -20.259 1.00 12.62 ? 73  GLU   B N   1 
ATOM   582  C CA  . GLU   A 1 67  ? -20.616 -6.275  -19.085 1.00 12.52 ? 73  GLU   B CA  1 
ATOM   583  C C   . GLU   A 1 67  ? -21.826 -5.508  -19.574 1.00 13.22 ? 73  GLU   B C   1 
ATOM   584  O O   . GLU   A 1 67  ? -21.707 -4.776  -20.570 1.00 13.77 ? 73  GLU   B O   1 
ATOM   585  C CB  . GLU   A 1 67  ? -19.824 -5.430  -18.107 1.00 13.86 ? 73  GLU   B CB  1 
ATOM   586  C CG  . GLU   A 1 67  ? -18.728 -6.270  -17.447 1.00 16.06 ? 73  GLU   B CG  1 
ATOM   587  C CD  . GLU   A 1 67  ? -17.822 -5.505  -16.510 1.00 20.51 ? 73  GLU   B CD  1 
ATOM   588  O OE1 . GLU   A 1 67  ? -17.946 -4.251  -16.507 1.00 24.66 ? 73  GLU   B OE1 1 
ATOM   589  O OE2 . GLU   A 1 67  ? -17.018 -6.155  -15.750 1.00 18.54 ? 73  GLU   B OE2 1 
ATOM   590  N N   . VAL   A 1 68  ? -22.945 -5.729  -18.900 1.00 13.06 ? 74  VAL   B N   1 
ATOM   591  C CA  . VAL   A 1 68  ? -24.225 -5.086  -19.236 1.00 12.82 ? 74  VAL   B CA  1 
ATOM   592  C C   . VAL   A 1 68  ? -24.795 -4.388  -17.999 1.00 11.96 ? 74  VAL   B C   1 
ATOM   593  O O   . VAL   A 1 68  ? -24.918 -5.022  -16.952 1.00 12.31 ? 74  VAL   B O   1 
ATOM   594  C CB  . VAL   A 1 68  ? -25.244 -6.092  -19.769 1.00 12.98 ? 74  VAL   B CB  1 
ATOM   595  C CG1 . VAL   A 1 68  ? -26.485 -5.313  -20.192 1.00 13.68 ? 74  VAL   B CG1 1 
ATOM   596  C CG2 . VAL   A 1 68  ? -24.661 -6.990  -20.855 1.00 14.69 ? 74  VAL   B CG2 1 
ATOM   597  N N   . ASP   A 1 69  ? -25.253 -3.148  -18.173 1.00 12.79 ? 75  ASP   B N   1 
ATOM   598  C CA  . ASP   A 1 69  ? -25.892 -2.345  -17.099 1.00 14.03 ? 75  ASP   B CA  1 
ATOM   599  C C   . ASP   A 1 69  ? -27.383 -2.620  -17.134 1.00 13.10 ? 75  ASP   B C   1 
ATOM   600  O O   . ASP   A 1 69  ? -27.987 -2.543  -18.256 1.00 13.80 ? 75  ASP   B O   1 
ATOM   601  C CB  . ASP   A 1 69  ? -25.629 -0.847  -17.271 1.00 15.78 ? 75  ASP   B CB  1 
ATOM   602  C CG  . ASP   A 1 69  ? -25.999 -0.038  -16.038 1.00 17.39 ? 75  ASP   B CG  1 
ATOM   603  O OD1 . ASP   A 1 69  ? -27.167 -0.001  -15.684 1.00 17.18 ? 75  ASP   B OD1 1 
ATOM   604  O OD2 . ASP   A 1 69  ? -25.067 0.473   -15.355 1.00 22.22 ? 75  ASP   B OD2 1 
ATOM   605  N N   . VAL   A 1 70  ? -27.947 -3.020  -16.004 1.00 13.69 ? 76  VAL   B N   1 
ATOM   606  C CA  . VAL   A 1 70  ? -29.390 -3.363  -15.833 1.00 13.35 ? 76  VAL   B CA  1 
ATOM   607  C C   . VAL   A 1 70  ? -30.078 -2.447  -14.798 1.00 13.83 ? 76  VAL   B C   1 
ATOM   608  O O   . VAL   A 1 70  ? -31.130 -2.794  -14.294 1.00 13.34 ? 76  VAL   B O   1 
ATOM   609  C CB  . VAL   A 1 70  ? -29.572 -4.865  -15.488 1.00 13.55 ? 76  VAL   B CB  1 
ATOM   610  C CG1 . VAL   A 1 70  ? -29.009 -5.745  -16.634 1.00 12.70 ? 76  VAL   B CG1 1 
ATOM   611  C CG2 . VAL   A 1 70  ? -28.964 -5.281  -14.152 1.00 13.42 ? 76  VAL   B CG2 1 
ATOM   612  N N   . THR   A 1 71  ? -29.456 -1.339  -14.426 1.00 14.04 ? 77  THR   B N   1 
ATOM   613  C CA  . THR   A 1 71  ? -29.963 -0.443  -13.383 1.00 15.27 ? 77  THR   B CA  1 
ATOM   614  C C   . THR   A 1 71  ? -31.453 -0.135  -13.590 1.00 15.55 ? 77  THR   B C   1 
ATOM   615  O O   . THR   A 1 71  ? -31.857 0.262   -14.694 1.00 15.04 ? 77  THR   B O   1 
ATOM   616  C CB  . THR   A 1 71  ? -29.160 0.852   -13.378 1.00 15.56 ? 77  THR   B CB  1 
ATOM   617  O OG1 . THR   A 1 71  ? -27.774 0.580   -13.122 1.00 17.81 ? 77  THR   B OG1 1 
ATOM   618  C CG2 . THR   A 1 71  ? -29.735 1.768   -12.326 1.00 18.08 ? 77  THR   B CG2 1 
ATOM   619  N N   . GLN   A 1 72  ? -32.183 -0.270  -12.486 1.00 19.14 ? 78  GLN   B N   1 
ATOM   620  C CA  . GLN   A 1 72  ? -33.622 0.021   -12.253 1.00 22.54 ? 78  GLN   B CA  1 
ATOM   621  C C   . GLN   A 1 72  ? -34.550 -0.798  -13.147 1.00 24.37 ? 78  GLN   B C   1 
ATOM   622  O O   . GLN   A 1 72  ? -35.764 -0.534  -13.131 1.00 27.70 ? 78  GLN   B O   1 
ATOM   623  C CB  . GLN   A 1 72  ? -33.867 1.533   -12.302 1.00 29.02 ? 78  GLN   B CB  1 
ATOM   624  C CG  . GLN   A 1 72  ? -33.607 2.196   -13.640 1.00 36.73 ? 78  GLN   B CG  1 
ATOM   625  C CD  . GLN   A 1 72  ? -34.623 3.256   -14.015 1.00 40.71 ? 78  GLN   B CD  1 
ATOM   626  O OE1 . GLN   A 1 72  ? -34.280 4.302   -14.569 1.00 44.76 ? 78  GLN   B OE1 1 
ATOM   627  N NE2 . GLN   A 1 72  ? -35.899 2.945   -13.812 1.00 43.99 ? 78  GLN   B NE2 1 
ATOM   628  N N   . LYS   A 1 73  ? -34.079 -1.813  -13.862 1.00 16.76 ? 79  LYS   B N   1 
ATOM   629  C CA  . LYS   A 1 73  ? -35.036 -2.645  -14.617 1.00 14.82 ? 79  LYS   B CA  1 
ATOM   630  C C   . LYS   A 1 73  ? -35.731 -3.662  -13.695 1.00 13.27 ? 79  LYS   B C   1 
ATOM   631  O O   . LYS   A 1 73  ? -35.096 -4.202  -12.720 1.00 15.56 ? 79  LYS   B O   1 
ATOM   632  C CB  . LYS   A 1 73  ? -34.304 -3.318  -15.777 1.00 15.08 ? 79  LYS   B CB  1 
ATOM   633  C CG  . LYS   A 1 73  ? -33.839 -2.332  -16.858 1.00 15.73 ? 79  LYS   B CG  1 
ATOM   634  C CD  . LYS   A 1 73  ? -33.363 -3.006  -18.144 1.00 15.99 ? 79  LYS   B CD  1 
ATOM   635  C CE  . LYS   A 1 73  ? -34.457 -3.728  -18.907 1.00 14.29 ? 79  LYS   B CE  1 
ATOM   636  N NZ  . LYS   A 1 73  ? -35.627 -2.850  -19.252 1.00 12.97 ? 79  LYS   B NZ  1 
ATOM   637  N N   . GLU   A 1 74  ? -36.979 -3.973  -14.018 1.00 12.31 ? 80  GLU   B N   1 
ATOM   638  C CA  . GLU   A 1 74  ? -37.785 -4.997  -13.333 1.00 12.44 ? 80  GLU   B CA  1 
ATOM   639  C C   . GLU   A 1 74  ? -37.687 -6.350  -14.033 1.00 12.11 ? 80  GLU   B C   1 
ATOM   640  O O   . GLU   A 1 74  ? -38.026 -7.365  -13.434 1.00 13.14 ? 80  GLU   B O   1 
ATOM   641  C CB  . GLU   A 1 74  ? -39.282 -4.602  -13.311 1.00 12.97 ? 80  GLU   B CB  1 
ATOM   642  C CG  . GLU   A 1 74  ? -39.531 -3.339  -12.527 1.00 13.96 ? 80  GLU   B CG  1 
ATOM   643  C CD  . GLU   A 1 74  ? -41.007 -2.925  -12.628 1.00 14.52 ? 80  GLU   B CD  1 
ATOM   644  O OE1 . GLU   A 1 74  ? -41.416 -2.087  -11.808 1.00 17.82 ? 80  GLU   B OE1 1 
ATOM   645  O OE2 . GLU   A 1 74  ? -41.730 -3.458  -13.537 1.00 16.68 ? 80  GLU   B OE2 1 
ATOM   646  N N   . ALA   A 1 75  ? -37.299 -6.384  -15.303 1.00 12.36 ? 81  ALA   B N   1 
ATOM   647  C CA  . ALA   A 1 75  ? -37.338 -7.642  -16.069 1.00 11.51 ? 81  ALA   B CA  1 
ATOM   648  C C   . ALA   A 1 75  ? -36.342 -7.541  -17.213 1.00 12.86 ? 81  ALA   B C   1 
ATOM   649  O O   . ALA   A 1 75  ? -36.276 -6.479  -17.881 1.00 12.13 ? 81  ALA   B O   1 
ATOM   650  C CB  . ALA   A 1 75  ? -38.719 -7.951  -16.601 1.00 12.95 ? 81  ALA   B CB  1 
ATOM   651  N N   . TRP   A 1 76  ? -35.610 -8.623  -17.455 1.00 11.29 ? 82  TRP   B N   1 
ATOM   652  C CA  . TRP   A 1 76  ? -34.625 -8.683  -18.578 1.00 11.78 ? 82  TRP   B CA  1 
ATOM   653  C C   . TRP   A 1 76  ? -34.121 -10.099 -18.674 1.00 11.62 ? 82  TRP   B C   1 
ATOM   654  O O   . TRP   A 1 76  ? -34.235 -10.853 -17.686 1.00 11.18 ? 82  TRP   B O   1 
ATOM   655  C CB  . TRP   A 1 76  ? -33.458 -7.696  -18.399 1.00 11.70 ? 82  TRP   B CB  1 
ATOM   656  C CG  . TRP   A 1 76  ? -32.781 -7.770  -17.067 1.00 11.39 ? 82  TRP   B CG  1 
ATOM   657  C CD1 . TRP   A 1 76  ? -32.995 -6.918  -16.033 1.00 12.40 ? 82  TRP   B CD1 1 
ATOM   658  C CD2 . TRP   A 1 76  ? -31.842 -8.729  -16.548 1.00 11.25 ? 82  TRP   B CD2 1 
ATOM   659  N NE1 . TRP   A 1 76  ? -32.250 -7.228  -14.936 1.00 12.74 ? 82  TRP   B NE1 1 
ATOM   660  C CE2 . TRP   A 1 76  ? -31.522 -8.357  -15.220 1.00 12.26 ? 82  TRP   B CE2 1 
ATOM   661  C CE3 . TRP   A 1 76  ? -31.205 -9.863  -17.093 1.00 12.22 ? 82  TRP   B CE3 1 
ATOM   662  C CZ2 . TRP   A 1 76  ? -30.621 -9.038  -14.412 1.00 11.88 ? 82  TRP   B CZ2 1 
ATOM   663  C CZ3 . TRP   A 1 76  ? -30.318 -10.539 -16.292 1.00 11.19 ? 82  TRP   B CZ3 1 
ATOM   664  C CH2 . TRP   A 1 76  ? -30.054 -10.160 -14.965 1.00 13.15 ? 82  TRP   B CH2 1 
ATOM   665  N N   . ASP   A 1 77  ? -33.627 -10.461 -19.866 1.00 11.20 ? 83  ASP   B N   1 
ATOM   666  C CA  . ASP   A 1 77  ? -32.880 -11.728 -20.104 1.00 11.58 ? 83  ASP   B CA  1 
ATOM   667  C C   . ASP   A 1 77  ? -31.520 -11.333 -20.694 1.00 11.04 ? 83  ASP   B C   1 
ATOM   668  O O   . ASP   A 1 77  ? -31.492 -10.416 -21.544 1.00 11.61 ? 83  ASP   B O   1 
ATOM   669  C CB  . ASP   A 1 77  ? -33.600 -12.686 -21.053 1.00 12.54 ? 83  ASP   B CB  1 
ATOM   670  C CG  . ASP   A 1 77  ? -35.098 -12.903 -20.886 1.00 14.66 ? 83  ASP   B CG  1 
ATOM   671  O OD1 . ASP   A 1 77  ? -35.544 -12.984 -19.767 1.00 17.10 ? 83  ASP   B OD1 1 
ATOM   672  O OD2 . ASP   A 1 77  ? -35.785 -13.075 -21.938 1.00 14.80 ? 83  ASP   B OD2 1 
ATOM   673  N N   . LEU   A 1 78  ? -30.440 -12.022 -20.304 1.00 9.93  ? 84  LEU   B N   1 
ATOM   674  C CA  . LEU   A 1 78  ? -29.091 -11.768 -20.833 1.00 9.99  ? 84  LEU   B CA  1 
ATOM   675  C C   . LEU   A 1 78  ? -28.363 -13.091 -21.023 1.00 10.17 ? 84  LEU   B C   1 
ATOM   676  O O   . LEU   A 1 78  ? -28.504 -13.992 -20.203 1.00 9.58  ? 84  LEU   B O   1 
ATOM   677  C CB  . LEU   A 1 78  ? -28.261 -10.907 -19.893 1.00 10.96 ? 84  LEU   B CB  1 
ATOM   678  C CG  . LEU   A 1 78  ? -28.643 -9.436  -19.787 1.00 11.90 ? 84  LEU   B CG  1 
ATOM   679  C CD1 . LEU   A 1 78  ? -27.807 -8.806  -18.676 1.00 12.54 ? 84  LEU   B CD1 1 
ATOM   680  C CD2 . LEU   A 1 78  ? -28.405 -8.761  -21.111 1.00 12.16 ? 84  LEU   B CD2 1 
ATOM   681  N N   . GLY   A 1 79  ? -27.525 -13.123 -22.049 1.00 9.59  ? 85  GLY   B N   1 
ATOM   682  C CA  . GLY   A 1 79  ? -26.550 -14.212 -22.172 1.00 10.70 ? 85  GLY   B CA  1 
ATOM   683  C C   . GLY   A 1 79  ? -26.014 -14.306 -23.587 1.00 9.86  ? 85  GLY   B C   1 
ATOM   684  O O   . GLY   A 1 79  ? -25.655 -13.290 -24.177 1.00 9.53  ? 85  GLY   B O   1 
ATOM   685  N N   A VAL   A 1 80  ? -25.923 -15.534 -24.107 0.25 9.84  ? 86  VAL   B N   1 
ATOM   686  N N   B VAL   A 1 80  ? -26.025 -15.512 -24.144 0.25 10.25 ? 86  VAL   B N   1 
ATOM   687  C CA  A VAL   A 1 80  ? -25.505 -15.839 -25.506 0.25 10.01 ? 86  VAL   B CA  1 
ATOM   688  C CA  B VAL   A 1 80  ? -25.475 -15.802 -25.493 0.25 10.66 ? 86  VAL   B CA  1 
ATOM   689  C C   A VAL   A 1 80  ? -26.510 -16.806 -26.119 0.25 10.20 ? 86  VAL   B C   1 
ATOM   690  C C   B VAL   A 1 80  ? -26.357 -16.888 -26.115 0.25 10.48 ? 86  VAL   B C   1 
ATOM   691  O O   A VAL   A 1 80  ? -27.234 -17.502 -25.385 0.25 10.58 ? 86  VAL   B O   1 
ATOM   692  O O   B VAL   A 1 80  ? -26.895 -17.715 -25.362 0.25 10.42 ? 86  VAL   B O   1 
ATOM   693  C CB  A VAL   A 1 80  ? -24.095 -16.451 -25.587 0.25 10.15 ? 86  VAL   B CB  1 
ATOM   694  C CB  B VAL   A 1 80  ? -23.994 -16.208 -25.367 0.25 11.46 ? 86  VAL   B CB  1 
ATOM   695  C CG1 A VAL   A 1 80  ? -23.030 -15.424 -25.288 0.25 9.95  ? 86  VAL   B CG1 1 
ATOM   696  C CG1 B VAL   A 1 80  ? -23.846 -17.593 -24.757 0.25 11.94 ? 86  VAL   B CG1 1 
ATOM   697  C CG2 A VAL   A 1 80  ? -23.955 -17.664 -24.679 0.25 10.47 ? 86  VAL   B CG2 1 
ATOM   698  C CG2 B VAL   A 1 80  ? -23.266 -16.122 -26.690 0.25 12.24 ? 86  VAL   B CG2 1 
ATOM   699  N N   . CYS   A 1 81  ? -26.511 -16.880 -27.437 1.00 10.29 ? 87  CYS   B N   1 
ATOM   700  C CA  . CYS   A 1 81  ? -27.344 -17.854 -28.142 1.00 11.05 ? 87  CYS   B CA  1 
ATOM   701  C C   . CYS   A 1 81  ? -26.659 -18.255 -29.445 1.00 11.19 ? 87  CYS   B C   1 
ATOM   702  O O   . CYS   A 1 81  ? -25.752 -17.556 -29.954 1.00 11.04 ? 87  CYS   B O   1 
ATOM   703  C CB  . CYS   A 1 81  ? -28.745 -17.308 -28.376 1.00 11.96 ? 87  CYS   B CB  1 
ATOM   704  S SG  . CYS   A 1 81  ? -28.807 -15.925 -29.535 1.00 12.99 ? 87  CYS   B SG  1 
ATOM   705  N N   A ARG   A 1 82  ? -27.095 -19.382 -29.987 0.25 11.55 ? 88  ARG   B N   1 
ATOM   706  N N   B ARG   A 1 82  ? -27.077 -19.388 -29.990 0.25 10.74 ? 88  ARG   B N   1 
ATOM   707  C CA  A ARG   A 1 82  ? -26.697 -19.815 -31.345 0.25 12.63 ? 88  ARG   B CA  1 
ATOM   708  C CA  B ARG   A 1 82  ? -26.610 -19.860 -31.316 0.25 11.20 ? 88  ARG   B CA  1 
ATOM   709  C C   A ARG   A 1 82  ? -27.113 -18.747 -32.353 0.25 12.14 ? 88  ARG   B C   1 
ATOM   710  C C   B ARG   A 1 82  ? -27.144 -18.897 -32.392 0.25 11.41 ? 88  ARG   B C   1 
ATOM   711  O O   A ARG   A 1 82  ? -28.175 -18.106 -32.185 0.25 11.85 ? 88  ARG   B O   1 
ATOM   712  O O   B ARG   A 1 82  ? -28.332 -18.474 -32.294 0.25 11.16 ? 88  ARG   B O   1 
ATOM   713  C CB  A ARG   A 1 82  ? -27.364 -21.138 -31.712 0.25 13.68 ? 88  ARG   B CB  1 
ATOM   714  C CB  B ARG   A 1 82  ? -27.072 -21.307 -31.521 0.25 11.08 ? 88  ARG   B CB  1 
ATOM   715  C CG  A ARG   A 1 82  ? -26.767 -22.321 -30.978 0.25 14.46 ? 88  ARG   B CG  1 
ATOM   716  C CG  B ARG   A 1 82  ? -26.420 -22.002 -32.707 0.25 10.86 ? 88  ARG   B CG  1 
ATOM   717  C CD  A ARG   A 1 82  ? -27.487 -23.602 -31.326 0.25 15.61 ? 88  ARG   B CD  1 
ATOM   718  C CD  B ARG   A 1 82  ? -26.970 -23.389 -32.943 0.25 10.73 ? 88  ARG   B CD  1 
ATOM   719  N NE  A ARG   A 1 82  ? -27.114 -24.637 -30.376 0.25 15.12 ? 88  ARG   B NE  1 
ATOM   720  N NE  B ARG   A 1 82  ? -26.834 -24.231 -31.768 0.25 10.57 ? 88  ARG   B NE  1 
ATOM   721  C CZ  A ARG   A 1 82  ? -27.913 -25.627 -30.028 0.25 15.40 ? 88  ARG   B CZ  1 
ATOM   722  C CZ  B ARG   A 1 82  ? -27.853 -24.813 -31.129 0.25 10.57 ? 88  ARG   B CZ  1 
ATOM   723  N NH1 A ARG   A 1 82  ? -29.130 -25.692 -30.536 0.25 14.83 ? 88  ARG   B NH1 1 
ATOM   724  N NH1 B ARG   A 1 82  ? -29.082 -24.692 -31.587 0.25 10.98 ? 88  ARG   B NH1 1 
ATOM   725  N NH2 A ARG   A 1 82  ? -27.504 -26.531 -29.161 0.25 16.40 ? 88  ARG   B NH2 1 
ATOM   726  N NH2 B ARG   A 1 82  ? -27.624 -25.537 -30.046 0.25 10.46 ? 88  ARG   B NH2 1 
ATOM   727  N N   . ASP   A 1 83  ? -26.318 -18.583 -33.400 1.00 12.46 ? 89  ASP   B N   1 
ATOM   728  C CA  . ASP   A 1 83  ? -26.701 -17.665 -34.502 1.00 13.70 ? 89  ASP   B CA  1 
ATOM   729  C C   . ASP   A 1 83  ? -28.006 -18.156 -35.141 1.00 15.14 ? 89  ASP   B C   1 
ATOM   730  O O   . ASP   A 1 83  ? -28.758 -17.291 -35.677 1.00 17.09 ? 89  ASP   B O   1 
ATOM   731  C CB  . ASP   A 1 83  ? -25.594 -17.556 -35.542 1.00 16.96 ? 89  ASP   B CB  1 
ATOM   732  C CG  . ASP   A 1 83  ? -25.210 -18.834 -36.239 1.00 18.65 ? 89  ASP   B CG  1 
ATOM   733  O OD1 . ASP   A 1 83  ? -25.676 -19.953 -35.854 1.00 21.03 ? 89  ASP   B OD1 1 
ATOM   734  O OD2 . ASP   A 1 83  ? -24.423 -18.703 -37.215 1.00 22.58 ? 89  ASP   B OD2 1 
ATOM   735  N N   . SER   A 1 84  ? -28.323 -19.452 -35.096 1.00 14.31 ? 90  SER   B N   1 
ATOM   736  C CA  . SER   A 1 84  ? -29.492 -20.038 -35.812 1.00 15.58 ? 90  SER   B CA  1 
ATOM   737  C C   . SER   A 1 84  ? -30.747 -20.200 -34.940 1.00 14.06 ? 90  SER   B C   1 
ATOM   738  O O   . SER   A 1 84  ? -31.651 -20.918 -35.339 1.00 15.09 ? 90  SER   B O   1 
ATOM   739  C CB  . SER   A 1 84  ? -29.097 -21.365 -36.439 1.00 17.23 ? 90  SER   B CB  1 
ATOM   740  O OG  . SER   A 1 84  ? -28.590 -22.240 -35.476 1.00 18.01 ? 90  SER   B OG  1 
ATOM   741  N N   . VAL   A 1 85  ? -30.840 -19.531 -33.790 1.00 13.24 ? 91  VAL   B N   1 
ATOM   742  C CA  . VAL   A 1 85  ? -32.040 -19.617 -32.938 1.00 13.33 ? 91  VAL   B CA  1 
ATOM   743  C C   . VAL   A 1 85  ? -33.242 -19.139 -33.746 1.00 13.38 ? 91  VAL   B C   1 
ATOM   744  O O   . VAL   A 1 85  ? -33.116 -18.224 -34.557 1.00 13.95 ? 91  VAL   B O   1 
ATOM   745  C CB  . VAL   A 1 85  ? -31.922 -18.875 -31.579 1.00 12.52 ? 91  VAL   B CB  1 
ATOM   746  C CG1 . VAL   A 1 85  ? -30.925 -19.580 -30.686 1.00 11.87 ? 91  VAL   B CG1 1 
ATOM   747  C CG2 . VAL   A 1 85  ? -31.645 -17.394 -31.662 1.00 13.08 ? 91  VAL   B CG2 1 
ATOM   748  N N   . GLN   A 1 86  ? -34.368 -19.758 -33.458 1.00 16.02 ? 92  GLN   B N   1 
ATOM   749  C CA  . GLN   A 1 86  ? -35.711 -19.357 -33.980 1.00 17.30 ? 92  GLN   B CA  1 
ATOM   750  C C   . GLN   A 1 86  ? -35.944 -17.880 -33.651 1.00 15.43 ? 92  GLN   B C   1 
ATOM   751  O O   . GLN   A 1 86  ? -35.656 -17.452 -32.506 1.00 16.09 ? 92  GLN   B O   1 
ATOM   752  C CB  . GLN   A 1 86  ? -36.741 -20.287 -33.324 1.00 19.97 ? 92  GLN   B CB  1 
ATOM   753  C CG  . GLN   A 1 86  ? -38.218 -19.917 -33.485 1.00 23.38 ? 92  GLN   B CG  1 
ATOM   754  C CD  . GLN   A 1 86  ? -39.116 -20.761 -32.576 1.00 28.01 ? 92  GLN   B CD  1 
ATOM   755  O OE1 . GLN   A 1 86  ? -38.692 -21.745 -31.926 1.00 29.50 ? 92  GLN   B OE1 1 
ATOM   756  N NE2 . GLN   A 1 86  ? -40.402 -20.395 -32.495 1.00 28.63 ? 92  GLN   B NE2 1 
ATOM   757  N N   . ARG   A 1 87  ? -36.484 -17.122 -34.591 1.00 14.76 ? 93  ARG   B N   1 
ATOM   758  C CA  . ARG   A 1 87  ? -36.775 -15.671 -34.414 1.00 13.24 ? 93  ARG   B CA  1 
ATOM   759  C C   . ARG   A 1 87  ? -38.288 -15.454 -34.277 1.00 14.73 ? 93  ARG   B C   1 
ATOM   760  O O   . ARG   A 1 87  ? -38.646 -14.455 -33.676 1.00 13.66 ? 93  ARG   B O   1 
ATOM   761  C CB  . ARG   A 1 87  ? -36.244 -14.819 -35.560 1.00 13.80 ? 93  ARG   B CB  1 
ATOM   762  C CG  . ARG   A 1 87  ? -34.771 -15.025 -35.875 1.00 13.92 ? 93  ARG   B CG  1 
ATOM   763  C CD  . ARG   A 1 87  ? -33.833 -14.849 -34.686 1.00 15.19 ? 93  ARG   B CD  1 
ATOM   764  N NE  . ARG   A 1 87  ? -32.469 -15.290 -35.025 1.00 17.00 ? 93  ARG   B NE  1 
ATOM   765  C CZ  . ARG   A 1 87  ? -31.548 -14.565 -35.634 1.00 15.74 ? 93  ARG   B CZ  1 
ATOM   766  N NH1 . ARG   A 1 87  ? -31.791 -13.329 -35.994 1.00 17.52 ? 93  ARG   B NH1 1 
ATOM   767  N NH2 . ARG   A 1 87  ? -30.396 -15.110 -35.951 1.00 18.61 ? 93  ARG   B NH2 1 
ATOM   768  N N   . LYS   A 1 88  ? -39.126 -16.308 -34.862 1.00 14.16 ? 94  LYS   B N   1 
ATOM   769  C CA  . LYS   A 1 88  ? -40.575 -16.015 -34.994 1.00 15.75 ? 94  LYS   B CA  1 
ATOM   770  C C   . LYS   A 1 88  ? -41.373 -16.912 -34.069 1.00 17.45 ? 94  LYS   B C   1 
ATOM   771  O O   . LYS   A 1 88  ? -40.998 -18.088 -33.894 1.00 20.82 ? 94  LYS   B O   1 
ATOM   772  C CB  . LYS   A 1 88  ? -41.054 -16.200 -36.437 1.00 16.12 ? 94  LYS   B CB  1 
ATOM   773  C CG  . LYS   A 1 88  ? -40.247 -15.475 -37.499 1.00 17.04 ? 94  LYS   B CG  1 
ATOM   774  C CD  . LYS   A 1 88  ? -40.091 -13.980 -37.229 1.00 16.85 ? 94  LYS   B CD  1 
ATOM   775  C CE  . LYS   A 1 88  ? -39.377 -13.283 -38.363 1.00 16.55 ? 94  LYS   B CE  1 
ATOM   776  N NZ  . LYS   A 1 88  ? -39.299 -11.828 -38.148 1.00 17.49 ? 94  LYS   B NZ  1 
ATOM   777  N N   . GLY   A 1 89  ? -42.440 -16.374 -33.493 1.00 17.60 ? 95  GLY   B N   1 
ATOM   778  C CA  . GLY   A 1 89  ? -43.351 -17.153 -32.652 1.00 18.91 ? 95  GLY   B CA  1 
ATOM   779  C C   . GLY   A 1 89  ? -42.845 -17.310 -31.232 1.00 19.68 ? 95  GLY   B C   1 
ATOM   780  O O   . GLY   A 1 89  ? -41.860 -16.565 -30.839 1.00 17.65 ? 95  GLY   B O   1 
ATOM   781  N N   . GLN   A 1 90  ? -43.496 -18.202 -30.493 1.00 19.05 ? 96  GLN   B N   1 
ATOM   782  C CA  . GLN   A 1 90  ? -43.241 -18.435 -29.057 1.00 21.88 ? 96  GLN   B CA  1 
ATOM   783  C C   . GLN   A 1 90  ? -42.166 -19.498 -28.887 1.00 19.36 ? 96  GLN   B C   1 
ATOM   784  O O   . GLN   A 1 90  ? -42.065 -20.432 -29.711 1.00 19.05 ? 96  GLN   B O   1 
ATOM   785  C CB  . GLN   A 1 90  ? -44.537 -18.811 -28.334 1.00 27.37 ? 96  GLN   B CB  1 
ATOM   786  C CG  . GLN   A 1 90  ? -45.427 -17.599 -28.184 1.00 34.28 ? 96  GLN   B CG  1 
ATOM   787  C CD  . GLN   A 1 90  ? -46.841 -17.989 -27.872 1.00 43.56 ? 96  GLN   B CD  1 
ATOM   788  O OE1 . GLN   A 1 90  ? -47.246 -17.949 -26.715 1.00 52.60 ? 96  GLN   B OE1 1 
ATOM   789  N NE2 . GLN   A 1 90  ? -47.579 -18.380 -28.905 1.00 49.38 ? 96  GLN   B NE2 1 
ATOM   790  N N   . PHE   A 1 91  ? -41.309 -19.304 -27.895 1.00 16.11 ? 97  PHE   B N   1 
ATOM   791  C CA  . PHE   A 1 91  ? -40.267 -20.297 -27.548 1.00 16.65 ? 97  PHE   B CA  1 
ATOM   792  C C   . PHE   A 1 91  ? -39.755 -20.025 -26.141 1.00 16.55 ? 97  PHE   B C   1 
ATOM   793  O O   . PHE   A 1 91  ? -39.858 -18.910 -25.614 1.00 16.94 ? 97  PHE   B O   1 
ATOM   794  C CB  . PHE   A 1 91  ? -39.136 -20.248 -28.563 1.00 17.03 ? 97  PHE   B CB  1 
ATOM   795  C CG  . PHE   A 1 91  ? -38.492 -18.893 -28.699 1.00 16.41 ? 97  PHE   B CG  1 
ATOM   796  C CD1 . PHE   A 1 91  ? -37.499 -18.498 -27.820 1.00 16.24 ? 97  PHE   B CD1 1 
ATOM   797  C CD2 . PHE   A 1 91  ? -38.856 -18.025 -29.711 1.00 16.52 ? 97  PHE   B CD2 1 
ATOM   798  C CE1 . PHE   A 1 91  ? -36.876 -17.270 -27.968 1.00 15.55 ? 97  PHE   B CE1 1 
ATOM   799  C CE2 . PHE   A 1 91  ? -38.235 -16.806 -29.861 1.00 16.07 ? 97  PHE   B CE2 1 
ATOM   800  C CZ  . PHE   A 1 91  ? -37.226 -16.436 -29.006 1.00 15.77 ? 97  PHE   B CZ  1 
ATOM   801  N N   A SER   A 1 92  ? -39.216 -21.054 -25.499 0.33 16.85 ? 98  SER   B N   1 
ATOM   802  N N   B SER   A 1 92  ? -39.189 -21.069 -25.539 0.36 15.97 ? 98  SER   B N   1 
ATOM   803  C CA  A SER   A 1 92  ? -38.579 -20.906 -24.168 0.33 17.58 ? 98  SER   B CA  1 
ATOM   804  C CA  B SER   A 1 92  ? -38.550 -21.021 -24.201 0.36 16.29 ? 98  SER   B CA  1 
ATOM   805  C C   A SER   A 1 92  ? -37.075 -20.713 -24.353 0.33 16.22 ? 98  SER   B C   1 
ATOM   806  C C   B SER   A 1 92  ? -37.052 -20.736 -24.361 0.36 15.47 ? 98  SER   B C   1 
ATOM   807  O O   A SER   A 1 92  ? -36.496 -21.238 -25.335 0.33 16.15 ? 98  SER   B O   1 
ATOM   808  O O   B SER   A 1 92  ? -36.441 -21.223 -25.348 0.36 15.33 ? 98  SER   B O   1 
ATOM   809  C CB  A SER   A 1 92  ? -38.860 -22.074 -23.279 0.33 19.71 ? 98  SER   B CB  1 
ATOM   810  C CB  B SER   A 1 92  ? -38.789 -22.303 -23.436 0.36 17.35 ? 98  SER   B CB  1 
ATOM   811  O OG  A SER   A 1 92  ? -38.455 -23.262 -23.921 0.33 21.24 ? 98  SER   B OG  1 
ATOM   812  O OG  B SER   A 1 92  ? -40.154 -22.402 -23.033 0.36 16.54 ? 98  SER   B OG  1 
ATOM   813  N N   . LEU   A 1 93  ? -36.469 -19.987 -23.418 1.00 15.08 ? 99  LEU   B N   1 
ATOM   814  C CA  . LEU   A 1 93  ? -35.000 -19.840 -23.356 1.00 14.84 ? 99  LEU   B CA  1 
ATOM   815  C C   . LEU   A 1 93  ? -34.409 -21.065 -22.660 1.00 15.54 ? 99  LEU   B C   1 
ATOM   816  O O   . LEU   A 1 93  ? -34.532 -21.212 -21.446 1.00 16.03 ? 99  LEU   B O   1 
ATOM   817  C CB  . LEU   A 1 93  ? -34.616 -18.552 -22.626 1.00 14.39 ? 99  LEU   B CB  1 
ATOM   818  C CG  . LEU   A 1 93  ? -35.122 -17.260 -23.245 1.00 15.92 ? 99  LEU   B CG  1 
ATOM   819  C CD1 . LEU   A 1 93  ? -34.662 -16.072 -22.409 1.00 16.10 ? 99  LEU   B CD1 1 
ATOM   820  C CD2 . LEU   A 1 93  ? -34.643 -17.095 -24.679 1.00 15.99 ? 99  LEU   B CD2 1 
ATOM   821  N N   . SER   A 1 94  ? -33.774 -21.968 -23.418 1.00 14.81 ? 100 SER   B N   1 
ATOM   822  C CA  . SER   A 1 94  ? -33.172 -23.205 -22.889 1.00 13.61 ? 100 SER   B CA  1 
ATOM   823  C C   . SER   A 1 94  ? -31.986 -23.560 -23.765 1.00 12.92 ? 100 SER   B C   1 
ATOM   824  O O   . SER   A 1 94  ? -31.951 -23.184 -24.937 1.00 12.03 ? 100 SER   B O   1 
ATOM   825  C CB  . SER   A 1 94  ? -34.111 -24.386 -22.880 1.00 14.65 ? 100 SER   B CB  1 
ATOM   826  O OG  . SER   A 1 94  ? -34.505 -24.692 -24.214 1.00 17.73 ? 100 SER   B OG  1 
ATOM   827  N N   . PRO   A 1 95  ? -31.038 -24.347 -23.241 1.00 13.20 ? 101 PRO   B N   1 
ATOM   828  C CA  . PRO   A 1 95  ? -29.935 -24.822 -24.068 1.00 14.22 ? 101 PRO   B CA  1 
ATOM   829  C C   . PRO   A 1 95  ? -30.413 -25.694 -25.239 1.00 14.05 ? 101 PRO   B C   1 
ATOM   830  O O   . PRO   A 1 95  ? -29.822 -25.613 -26.327 1.00 13.22 ? 101 PRO   B O   1 
ATOM   831  C CB  . PRO   A 1 95  ? -29.060 -25.600 -23.063 1.00 15.03 ? 101 PRO   B CB  1 
ATOM   832  C CG  . PRO   A 1 95  ? -29.320 -24.880 -21.752 1.00 15.41 ? 101 PRO   B CG  1 
ATOM   833  C CD  . PRO   A 1 95  ? -30.813 -24.617 -21.813 1.00 14.83 ? 101 PRO   B CD  1 
ATOM   834  N N   . GLU   A 1 96  ? -31.502 -26.450 -25.037 1.00 15.43 ? 102 GLU   B N   1 
ATOM   835  C CA  . GLU   A 1 96  ? -32.091 -27.283 -26.134 1.00 19.34 ? 102 GLU   B CA  1 
ATOM   836  C C   . GLU   A 1 96  ? -32.493 -26.375 -27.303 1.00 19.12 ? 102 GLU   B C   1 
ATOM   837  O O   . GLU   A 1 96  ? -32.407 -26.809 -28.486 1.00 17.63 ? 102 GLU   B O   1 
ATOM   838  C CB  . GLU   A 1 96  ? -33.272 -28.115 -25.636 1.00 23.66 ? 102 GLU   B CB  1 
ATOM   839  C CG  . GLU   A 1 96  ? -32.893 -28.945 -24.432 1.00 33.34 ? 102 GLU   B CG  1 
ATOM   840  C CD  . GLU   A 1 96  ? -33.318 -28.324 -23.107 1.00 38.58 ? 102 GLU   B CD  1 
ATOM   841  O OE1 . GLU   A 1 96  ? -32.483 -27.598 -22.452 1.00 27.14 ? 102 GLU   B OE1 1 
ATOM   842  O OE2 . GLU   A 1 96  ? -34.498 -28.609 -22.710 1.00 48.62 ? 102 GLU   B OE2 1 
ATOM   843  N N   . ASN   A 1 97  ? -32.938 -25.136 -27.033 1.00 15.52 ? 103 ASN   B N   1 
ATOM   844  C CA  . ASN   A 1 97  ? -33.361 -24.186 -28.085 1.00 14.92 ? 103 ASN   B CA  1 
ATOM   845  C C   . ASN   A 1 97  ? -32.191 -23.287 -28.493 1.00 14.25 ? 103 ASN   B C   1 
ATOM   846  O O   . ASN   A 1 97  ? -32.407 -22.427 -29.343 1.00 15.71 ? 103 ASN   B O   1 
ATOM   847  C CB  . ASN   A 1 97  ? -34.590 -23.347 -27.667 1.00 15.40 ? 103 ASN   B CB  1 
ATOM   848  C CG  . ASN   A 1 97  ? -35.874 -24.143 -27.591 1.00 17.91 ? 103 ASN   B CG  1 
ATOM   849  O OD1 . ASN   A 1 97  ? -35.996 -25.222 -28.211 1.00 17.65 ? 103 ASN   B OD1 1 
ATOM   850  N ND2 . ASN   A 1 97  ? -36.825 -23.660 -26.800 1.00 18.24 ? 103 ASN   B ND2 1 
ATOM   851  N N   . GLY   A 1 98  ? -30.970 -23.499 -27.973 1.00 12.45 ? 104 GLY   B N   1 
ATOM   852  C CA  . GLY   A 1 98  ? -29.787 -22.725 -28.376 1.00 12.31 ? 104 GLY   B CA  1 
ATOM   853  C C   . GLY   A 1 98  ? -29.552 -21.461 -27.571 1.00 11.73 ? 104 GLY   B C   1 
ATOM   854  O O   . GLY   A 1 98  ? -28.891 -20.576 -28.077 1.00 11.60 ? 104 GLY   B O   1 
ATOM   855  N N   . PHE   A 1 99  ? -30.017 -21.380 -26.315 1.00 12.14 ? 105 PHE   B N   1 
ATOM   856  C CA  . PHE   A 1 99  ? -29.801 -20.181 -25.457 1.00 10.77 ? 105 PHE   B CA  1 
ATOM   857  C C   . PHE   A 1 99  ? -29.115 -20.582 -24.137 1.00 10.33 ? 105 PHE   B C   1 
ATOM   858  O O   . PHE   A 1 99  ? -29.545 -21.588 -23.489 1.00 11.47 ? 105 PHE   B O   1 
ATOM   859  C CB  . PHE   A 1 99  ? -31.135 -19.500 -25.075 1.00 10.86 ? 105 PHE   B CB  1 
ATOM   860  C CG  . PHE   A 1 99  ? -31.942 -19.016 -26.256 1.00 10.68 ? 105 PHE   B CG  1 
ATOM   861  C CD1 . PHE   A 1 99  ? -32.854 -19.840 -26.875 1.00 11.06 ? 105 PHE   B CD1 1 
ATOM   862  C CD2 . PHE   A 1 99  ? -31.802 -17.720 -26.729 1.00 11.07 ? 105 PHE   B CD2 1 
ATOM   863  C CE1 . PHE   A 1 99  ? -33.564 -19.404 -27.979 1.00 11.59 ? 105 PHE   B CE1 1 
ATOM   864  C CE2 . PHE   A 1 99  ? -32.551 -17.251 -27.793 1.00 11.35 ? 105 PHE   B CE2 1 
ATOM   865  C CZ  . PHE   A 1 99  ? -33.439 -18.096 -28.411 1.00 10.31 ? 105 PHE   B CZ  1 
ATOM   866  N N   . TRP   A 1 100 ? -28.183 -19.753 -23.671 1.00 10.42 ? 106 TRP   B N   1 
ATOM   867  C CA  . TRP   A 1 100 ? -27.467 -19.868 -22.378 1.00 9.81  ? 106 TRP   B CA  1 
ATOM   868  C C   . TRP   A 1 100 ? -27.630 -18.525 -21.674 1.00 8.83  ? 106 TRP   B C   1 
ATOM   869  O O   . TRP   A 1 100 ? -26.919 -17.546 -22.021 1.00 9.89  ? 106 TRP   B O   1 
ATOM   870  C CB  . TRP   A 1 100 ? -25.999 -20.298 -22.556 1.00 10.07 ? 106 TRP   B CB  1 
ATOM   871  C CG  . TRP   A 1 100 ? -25.930 -21.673 -23.162 1.00 10.47 ? 106 TRP   B CG  1 
ATOM   872  C CD1 . TRP   A 1 100 ? -25.866 -22.878 -22.496 1.00 12.20 ? 106 TRP   B CD1 1 
ATOM   873  C CD2 . TRP   A 1 100 ? -25.973 -21.989 -24.573 1.00 11.18 ? 106 TRP   B CD2 1 
ATOM   874  N NE1 . TRP   A 1 100 ? -25.913 -23.915 -23.411 1.00 12.10 ? 106 TRP   B NE1 1 
ATOM   875  C CE2 . TRP   A 1 100 ? -25.949 -23.398 -24.678 1.00 12.90 ? 106 TRP   B CE2 1 
ATOM   876  C CE3 . TRP   A 1 100 ? -26.004 -21.202 -25.722 1.00 10.86 ? 106 TRP   B CE3 1 
ATOM   877  C CZ2 . TRP   A 1 100 ? -26.013 -24.048 -25.921 1.00 12.59 ? 106 TRP   B CZ2 1 
ATOM   878  C CZ3 . TRP   A 1 100 ? -26.028 -21.851 -26.942 1.00 11.71 ? 106 TRP   B CZ3 1 
ATOM   879  C CH2 . TRP   A 1 100 ? -26.049 -23.237 -27.029 1.00 11.56 ? 106 TRP   B CH2 1 
ATOM   880  N N   . THR   A 1 101 ? -28.660 -18.437 -20.835 1.00 10.13 ? 107 THR   B N   1 
ATOM   881  C CA  . THR   A 1 101 ? -29.166 -17.126 -20.344 1.00 10.58 ? 107 THR   B CA  1 
ATOM   882  C C   . THR   A 1 101 ? -29.484 -17.170 -18.840 1.00 9.85  ? 107 THR   B C   1 
ATOM   883  O O   . THR   A 1 101 ? -29.740 -18.249 -18.314 1.00 9.55  ? 107 THR   B O   1 
ATOM   884  C CB  . THR   A 1 101 ? -30.403 -16.647 -21.104 1.00 11.33 ? 107 THR   B CB  1 
ATOM   885  O OG1 . THR   A 1 101 ? -31.449 -17.590 -20.867 1.00 11.21 ? 107 THR   B OG1 1 
ATOM   886  C CG2 . THR   A 1 101 ? -30.115 -16.510 -22.579 1.00 11.36 ? 107 THR   B CG2 1 
ATOM   887  N N   . ILE   A 1 102 ? -29.505 -15.987 -18.238 1.00 9.66  ? 108 ILE   B N   1 
ATOM   888  C CA  . ILE   A 1 102 ? -30.155 -15.768 -16.916 1.00 9.85  ? 108 ILE   B CA  1 
ATOM   889  C C   . ILE   A 1 102 ? -31.164 -14.631 -17.094 1.00 10.74 ? 108 ILE   B C   1 
ATOM   890  O O   . ILE   A 1 102 ? -31.118 -13.865 -18.114 1.00 11.27 ? 108 ILE   B O   1 
ATOM   891  C CB  . ILE   A 1 102 ? -29.149 -15.447 -15.794 1.00 10.43 ? 108 ILE   B CB  1 
ATOM   892  C CG1 . ILE   A 1 102 ? -28.494 -14.073 -15.943 1.00 11.13 ? 108 ILE   B CG1 1 
ATOM   893  C CG2 . ILE   A 1 102 ? -28.121 -16.566 -15.704 1.00 11.02 ? 108 ILE   B CG2 1 
ATOM   894  C CD1 . ILE   A 1 102 ? -27.653 -13.644 -14.767 1.00 10.94 ? 108 ILE   B CD1 1 
ATOM   895  N N   . TRP   A 1 103 ? -32.006 -14.476 -16.080 1.00 10.89 ? 109 TRP   B N   1 
ATOM   896  C CA  . TRP   A 1 103 ? -33.007 -13.403 -16.137 1.00 10.92 ? 109 TRP   B CA  1 
ATOM   897  C C   . TRP   A 1 103 ? -33.446 -12.951 -14.779 1.00 10.95 ? 109 TRP   B C   1 
ATOM   898  O O   . TRP   A 1 103 ? -33.320 -13.667 -13.789 1.00 11.04 ? 109 TRP   B O   1 
ATOM   899  C CB  . TRP   A 1 103 ? -34.191 -13.801 -16.965 1.00 12.51 ? 109 TRP   B CB  1 
ATOM   900  C CG  . TRP   A 1 103 ? -34.979 -14.970 -16.492 1.00 13.88 ? 109 TRP   B CG  1 
ATOM   901  C CD1 . TRP   A 1 103 ? -35.895 -15.013 -15.477 1.00 14.88 ? 109 TRP   B CD1 1 
ATOM   902  C CD2 . TRP   A 1 103 ? -35.044 -16.228 -17.162 1.00 14.92 ? 109 TRP   B CD2 1 
ATOM   903  N NE1 . TRP   A 1 103 ? -36.522 -16.222 -15.472 1.00 16.98 ? 109 TRP   B NE1 1 
ATOM   904  C CE2 . TRP   A 1 103 ? -36.044 -16.979 -16.506 1.00 15.27 ? 109 TRP   B CE2 1 
ATOM   905  C CE3 . TRP   A 1 103 ? -34.373 -16.761 -18.270 1.00 15.23 ? 109 TRP   B CE3 1 
ATOM   906  C CZ2 . TRP   A 1 103 ? -36.346 -18.278 -16.907 1.00 16.46 ? 109 TRP   B CZ2 1 
ATOM   907  C CZ3 . TRP   A 1 103 ? -34.724 -18.013 -18.691 1.00 17.10 ? 109 TRP   B CZ3 1 
ATOM   908  C CH2 . TRP   A 1 103 ? -35.679 -18.761 -18.005 1.00 15.20 ? 109 TRP   B CH2 1 
ATOM   909  N N   . LEU   A 1 104 ? -34.051 -11.745 -14.783 1.00 12.28 ? 110 LEU   B N   1 
ATOM   910  C CA  . LEU   A 1 104 ? -34.838 -11.230 -13.664 1.00 12.72 ? 110 LEU   B CA  1 
ATOM   911  C C   . LEU   A 1 104 ? -36.298 -11.194 -14.110 1.00 12.79 ? 110 LEU   B C   1 
ATOM   912  O O   . LEU   A 1 104 ? -36.601 -10.725 -15.189 1.00 11.39 ? 110 LEU   B O   1 
ATOM   913  C CB  . LEU   A 1 104 ? -34.388 -9.810  -13.331 1.00 12.98 ? 110 LEU   B CB  1 
ATOM   914  C CG  . LEU   A 1 104 ? -35.249 -9.023  -12.326 1.00 12.48 ? 110 LEU   B CG  1 
ATOM   915  C CD1 . LEU   A 1 104 ? -35.318 -9.706  -10.967 1.00 12.19 ? 110 LEU   B CD1 1 
ATOM   916  C CD2 . LEU   A 1 104 ? -34.751 -7.614  -12.188 1.00 13.85 ? 110 LEU   B CD2 1 
ATOM   917  N N   . TRP   A 1 105 ? -37.206 -11.655 -13.244 0.69 15.01 ? 111 TRP   B N   1 
ATOM   918  C CA  . TRP   A 1 105 ? -38.665 -11.710 -13.524 0.69 17.16 ? 111 TRP   B CA  1 
ATOM   919  C C   . TRP   A 1 105 ? -39.431 -11.786 -12.202 0.69 17.22 ? 111 TRP   B C   1 
ATOM   920  O O   . TRP   A 1 105 ? -39.210 -12.766 -11.464 0.69 15.53 ? 111 TRP   B O   1 
ATOM   921  C CB  . TRP   A 1 105 ? -38.944 -12.917 -14.433 0.69 22.18 ? 111 TRP   B CB  1 
ATOM   922  C CG  . TRP   A 1 105 ? -40.377 -13.319 -14.555 0.69 27.39 ? 111 TRP   B CG  1 
ATOM   923  C CD1 . TRP   A 1 105 ? -41.034 -14.291 -13.852 0.69 28.99 ? 111 TRP   B CD1 1 
ATOM   924  C CD2 . TRP   A 1 105 ? -41.336 -12.764 -15.467 0.69 31.03 ? 111 TRP   B CD2 1 
ATOM   925  N NE1 . TRP   A 1 105 ? -42.336 -14.371 -14.262 0.69 30.67 ? 111 TRP   B NE1 1 
ATOM   926  C CE2 . TRP   A 1 105 ? -42.551 -13.445 -15.249 0.69 31.77 ? 111 TRP   B CE2 1 
ATOM   927  C CE3 . TRP   A 1 105 ? -41.288 -11.750 -16.428 0.69 33.32 ? 111 TRP   B CE3 1 
ATOM   928  C CZ2 . TRP   A 1 105 ? -43.708 -13.149 -15.968 0.69 33.83 ? 111 TRP   B CZ2 1 
ATOM   929  C CZ3 . TRP   A 1 105 ? -42.430 -11.458 -17.139 0.69 34.11 ? 111 TRP   B CZ3 1 
ATOM   930  C CH2 . TRP   A 1 105 ? -43.623 -12.147 -16.907 0.69 35.42 ? 111 TRP   B CH2 1 
ATOM   931  N N   . GLN   A 1 106 ? -40.286 -10.791 -11.915 1.00 15.78 ? 112 GLN   B N   1 
ATOM   932  C CA  . GLN   A 1 106 ? -41.088 -10.763 -10.665 1.00 16.78 ? 112 GLN   B CA  1 
ATOM   933  C C   . GLN   A 1 106 ? -40.214 -10.956 -9.447  1.00 18.45 ? 112 GLN   B C   1 
ATOM   934  O O   . GLN   A 1 106 ? -40.541 -11.815 -8.544  1.00 20.09 ? 112 GLN   B O   1 
ATOM   935  C CB  . GLN   A 1 106 ? -42.170 -11.831 -10.797 1.00 19.67 ? 112 GLN   B CB  1 
ATOM   936  C CG  . GLN   A 1 106 ? -43.082 -11.517 -11.975 1.00 21.45 ? 112 GLN   B CG  1 
ATOM   937  C CD  . GLN   A 1 106 ? -44.372 -12.294 -12.000 1.00 25.00 ? 112 GLN   B CD  1 
ATOM   938  O OE1 . GLN   A 1 106 ? -45.294 -11.980 -12.766 1.00 28.71 ? 112 GLN   B OE1 1 
ATOM   939  N NE2 . GLN   A 1 106 ? -44.448 -13.289 -11.147 1.00 20.76 ? 112 GLN   B NE2 1 
ATOM   940  N N   . ASP   A 1 107 ? -39.196 -10.132 -9.328  1.00 17.74 ? 113 ASP   B N   1 
ATOM   941  C CA  . ASP   A 1 107 ? -38.387 -10.035 -8.114  1.00 23.13 ? 113 ASP   B CA  1 
ATOM   942  C C   . ASP   A 1 107 ? -37.649 -11.349 -7.821  1.00 22.21 ? 113 ASP   B C   1 
ATOM   943  O O   . ASP   A 1 107 ? -37.193 -11.491 -6.697  1.00 28.32 ? 113 ASP   B O   1 
ATOM   944  C CB  . ASP   A 1 107 ? -39.350 -9.764  -6.958  1.00 25.99 ? 113 ASP   B CB  1 
ATOM   945  C CG  . ASP   A 1 107 ? -38.729 -9.057  -5.797  1.00 32.57 ? 113 ASP   B CG  1 
ATOM   946  O OD1 . ASP   A 1 107 ? -37.743 -8.301  -6.003  1.00 37.10 ? 113 ASP   B OD1 1 
ATOM   947  O OD2 . ASP   A 1 107 ? -39.265 -9.265  -4.685  1.00 44.66 ? 113 ASP   B OD2 1 
ATOM   948  N N   . SER   A 1 108 ? -37.467 -12.236 -8.790  1.00 18.18 ? 114 SER   B N   1 
ATOM   949  C CA  . SER   A 1 108 ? -36.555 -13.394 -8.606  1.00 18.27 ? 114 SER   B CA  1 
ATOM   950  C C   . SER   A 1 108 ? -35.608 -13.522 -9.812  1.00 16.07 ? 114 SER   B C   1 
ATOM   951  O O   . SER   A 1 108 ? -35.979 -13.134 -10.957 1.00 14.37 ? 114 SER   B O   1 
ATOM   952  C CB  . SER   A 1 108 ? -37.335 -14.633 -8.237  1.00 23.82 ? 114 SER   B CB  1 
ATOM   953  O OG  . SER   A 1 108 ? -38.017 -15.164 -9.335  1.00 31.21 ? 114 SER   B OG  1 
ATOM   954  N N   . TYR   A 1 109 ? -34.406 -14.016 -9.555  1.00 13.74 ? 115 TYR   B N   1 
ATOM   955  C CA  . TYR   A 1 109 ? -33.378 -14.273 -10.599 1.00 13.34 ? 115 TYR   B CA  1 
ATOM   956  C C   . TYR   A 1 109 ? -33.351 -15.772 -10.873 1.00 12.67 ? 115 TYR   B C   1 
ATOM   957  O O   . TYR   A 1 109 ? -33.378 -16.587 -9.923  1.00 12.24 ? 115 TYR   B O   1 
ATOM   958  C CB  . TYR   A 1 109 ? -32.018 -13.735 -10.187 1.00 13.08 ? 115 TYR   B CB  1 
ATOM   959  C CG  . TYR   A 1 109 ? -31.992 -12.241 -9.948  1.00 14.20 ? 115 TYR   B CG  1 
ATOM   960  C CD1 . TYR   A 1 109 ? -32.201 -11.720 -8.679  1.00 13.93 ? 115 TYR   B CD1 1 
ATOM   961  C CD2 . TYR   A 1 109 ? -31.614 -11.366 -10.950 1.00 12.71 ? 115 TYR   B CD2 1 
ATOM   962  C CE1 . TYR   A 1 109 ? -32.117 -10.356 -8.440  1.00 15.13 ? 115 TYR   B CE1 1 
ATOM   963  C CE2 . TYR   A 1 109 ? -31.548 -9.995  -10.726 1.00 13.13 ? 115 TYR   B CE2 1 
ATOM   964  C CZ  . TYR   A 1 109 ? -31.799 -9.487  -9.462  1.00 14.45 ? 115 TYR   B CZ  1 
ATOM   965  O OH  . TYR   A 1 109 ? -31.736 -8.129  -9.244  1.00 15.40 ? 115 TYR   B OH  1 
ATOM   966  N N   A GLU   A 1 110 ? -33.281 -16.160 -12.151 0.25 12.56 ? 116 GLU   B N   1 
ATOM   967  N N   B GLU   A 1 110 ? -33.323 -16.149 -12.159 0.25 12.85 ? 116 GLU   B N   1 
ATOM   968  C CA  A GLU   A 1 110 ? -33.267 -17.596 -12.551 0.25 13.09 ? 116 GLU   B CA  1 
ATOM   969  C CA  B GLU   A 1 110 ? -33.323 -17.570 -12.616 0.25 13.50 ? 116 GLU   B CA  1 
ATOM   970  C C   A GLU   A 1 110 ? -32.355 -17.819 -13.754 0.25 12.01 ? 116 GLU   B C   1 
ATOM   971  C C   B GLU   A 1 110 ? -32.246 -17.765 -13.687 0.25 12.16 ? 116 GLU   B C   1 
ATOM   972  O O   A GLU   A 1 110 ? -32.267 -16.945 -14.636 0.25 11.65 ? 116 GLU   B O   1 
ATOM   973  O O   B GLU   A 1 110 ? -31.885 -16.788 -14.376 0.25 11.35 ? 116 GLU   B O   1 
ATOM   974  C CB  A GLU   A 1 110 ? -34.664 -18.112 -12.876 0.25 13.88 ? 116 GLU   B CB  1 
ATOM   975  C CB  B GLU   A 1 110 ? -34.679 -17.993 -13.186 0.25 14.79 ? 116 GLU   B CB  1 
ATOM   976  C CG  A GLU   A 1 110 ? -35.594 -18.079 -11.676 0.25 15.15 ? 116 GLU   B CG  1 
ATOM   977  C CG  B GLU   A 1 110 ? -35.874 -17.553 -12.350 0.25 16.71 ? 116 GLU   B CG  1 
ATOM   978  C CD  A GLU   A 1 110 ? -37.044 -18.375 -11.993 0.25 17.14 ? 116 GLU   B CD  1 
ATOM   979  C CD  B GLU   A 1 110 ? -36.151 -18.397 -11.122 0.25 18.92 ? 116 GLU   B CD  1 
ATOM   980  O OE1 A GLU   A 1 110 ? -37.490 -17.982 -13.084 0.25 18.72 ? 116 GLU   B OE1 1 
ATOM   981  O OE1 B GLU   A 1 110 ? -35.768 -19.581 -11.113 0.25 20.13 ? 116 GLU   B OE1 1 
ATOM   982  O OE2 A GLU   A 1 110 ? -37.718 -19.009 -11.150 0.25 17.02 ? 116 GLU   B OE2 1 
ATOM   983  O OE2 B GLU   A 1 110 ? -36.787 -17.858 -10.200 0.25 23.38 ? 116 GLU   B OE2 1 
ATOM   984  N N   . ALA   A 1 111 ? -31.714 -18.988 -13.788 1.00 12.58 ? 117 ALA   B N   1 
ATOM   985  C CA  . ALA   A 1 111 ? -30.950 -19.428 -14.955 1.00 12.36 ? 117 ALA   B CA  1 
ATOM   986  C C   . ALA   A 1 111 ? -31.885 -20.187 -15.905 1.00 12.20 ? 117 ALA   B C   1 
ATOM   987  O O   . ALA   A 1 111 ? -32.718 -21.022 -15.467 1.00 12.20 ? 117 ALA   B O   1 
ATOM   988  C CB  . ALA   A 1 111 ? -29.784 -20.280 -14.539 1.00 11.99 ? 117 ALA   B CB  1 
ATOM   989  N N   . GLY   A 1 112 ? -31.710 -19.924 -17.192 1.00 12.57 ? 118 GLY   B N   1 
ATOM   990  C CA  . GLY   A 1 112 ? -32.458 -20.521 -18.328 1.00 12.74 ? 118 GLY   B CA  1 
ATOM   991  C C   . GLY   A 1 112 ? -32.127 -21.972 -18.604 1.00 13.57 ? 118 GLY   B C   1 
ATOM   992  O O   . GLY   A 1 112 ? -31.888 -22.318 -19.729 1.00 13.56 ? 118 GLY   B O   1 
ATOM   993  N N   . THR   A 1 113 ? -32.095 -22.821 -17.588 1.00 14.23 ? 119 THR   B N   1 
ATOM   994  C CA  . THR   A 1 113 ? -32.050 -24.280 -17.782 1.00 16.15 ? 119 THR   B CA  1 
ATOM   995  C C   . THR   A 1 113 ? -33.466 -24.788 -18.064 1.00 16.36 ? 119 THR   B C   1 
ATOM   996  O O   . THR   A 1 113 ? -34.406 -24.011 -17.916 1.00 19.32 ? 119 THR   B O   1 
ATOM   997  C CB  . THR   A 1 113 ? -31.432 -24.904 -16.540 1.00 14.37 ? 119 THR   B CB  1 
ATOM   998  O OG1 . THR   A 1 113 ? -32.158 -24.464 -15.387 1.00 14.88 ? 119 THR   B OG1 1 
ATOM   999  C CG2 . THR   A 1 113 ? -29.975 -24.594 -16.365 1.00 15.47 ? 119 THR   B CG2 1 
ATOM   1000 N N   . SER   A 1 114 ? -33.630 -26.083 -18.368 1.00 18.90 ? 120 SER   B N   1 
ATOM   1001 C CA  . SER   A 1 114 ? -34.978 -26.655 -18.580 1.00 21.86 ? 120 SER   B CA  1 
ATOM   1002 C C   . SER   A 1 114 ? -35.165 -27.838 -17.630 1.00 22.47 ? 120 SER   B C   1 
ATOM   1003 O O   . SER   A 1 114 ? -34.494 -28.857 -17.762 1.00 25.37 ? 120 SER   B O   1 
ATOM   1004 C CB  . SER   A 1 114 ? -35.225 -27.088 -20.007 1.00 28.34 ? 120 SER   B CB  1 
ATOM   1005 O OG  . SER   A 1 114 ? -36.623 -27.348 -20.162 1.00 32.12 ? 120 SER   B OG  1 
ATOM   1006 N N   . PRO   A 1 115 ? -35.961 -27.694 -16.561 1.00 21.71 ? 121 PRO   B N   1 
ATOM   1007 C CA  . PRO   A 1 115 ? -36.627 -26.443 -16.220 1.00 21.28 ? 121 PRO   B CA  1 
ATOM   1008 C C   . PRO   A 1 115 ? -35.682 -25.434 -15.548 1.00 17.67 ? 121 PRO   B C   1 
ATOM   1009 O O   . PRO   A 1 115 ? -34.550 -25.750 -15.221 1.00 16.69 ? 121 PRO   B O   1 
ATOM   1010 C CB  . PRO   A 1 115 ? -37.704 -26.897 -15.238 1.00 24.15 ? 121 PRO   B CB  1 
ATOM   1011 C CG  . PRO   A 1 115 ? -37.083 -28.082 -14.525 1.00 24.43 ? 121 PRO   B CG  1 
ATOM   1012 C CD  . PRO   A 1 115 ? -36.181 -28.756 -15.549 1.00 23.46 ? 121 PRO   B CD  1 
ATOM   1013 N N   . GLN   A 1 116 ? -36.150 -24.218 -15.365 1.00 16.75 ? 122 GLN   B N   1 
ATOM   1014 C CA  . GLN   A 1 116 ? -35.304 -23.106 -14.894 1.00 17.37 ? 122 GLN   B CA  1 
ATOM   1015 C C   . GLN   A 1 116 ? -34.792 -23.346 -13.464 1.00 15.45 ? 122 GLN   B C   1 
ATOM   1016 O O   . GLN   A 1 116 ? -35.440 -24.063 -12.675 1.00 15.44 ? 122 GLN   B O   1 
ATOM   1017 C CB  . GLN   A 1 116 ? -36.034 -21.783 -14.972 1.00 20.65 ? 122 GLN   B CB  1 
ATOM   1018 C CG  . GLN   A 1 116 ? -37.059 -21.611 -13.884 1.00 26.30 ? 122 GLN   B CG  1 
ATOM   1019 C CD  . GLN   A 1 116 ? -38.252 -20.913 -14.457 1.00 34.10 ? 122 GLN   B CD  1 
ATOM   1020 O OE1 . GLN   A 1 116 ? -38.846 -21.365 -15.435 1.00 40.87 ? 122 GLN   B OE1 1 
ATOM   1021 N NE2 . GLN   A 1 116 ? -38.574 -19.793 -13.858 1.00 39.39 ? 122 GLN   B NE2 1 
ATOM   1022 N N   . THR   A 1 117 ? -33.654 -22.746 -13.154 1.00 13.80 ? 123 THR   B N   1 
ATOM   1023 C CA  . THR   A 1 117 ? -32.961 -22.900 -11.860 1.00 12.37 ? 123 THR   B CA  1 
ATOM   1024 C C   . THR   A 1 117 ? -33.007 -21.579 -11.080 1.00 12.27 ? 123 THR   B C   1 
ATOM   1025 O O   . THR   A 1 117 ? -32.531 -20.545 -11.594 1.00 12.45 ? 123 THR   B O   1 
ATOM   1026 C CB  . THR   A 1 117 ? -31.525 -23.384 -12.118 1.00 12.80 ? 123 THR   B CB  1 
ATOM   1027 O OG1 . THR   A 1 117 ? -31.591 -24.618 -12.822 1.00 13.94 ? 123 THR   B OG1 1 
ATOM   1028 C CG2 . THR   A 1 117 ? -30.743 -23.551 -10.850 1.00 13.65 ? 123 THR   B CG2 1 
ATOM   1029 N N   . THR   A 1 118 ? -33.432 -21.636 -9.822  1.00 12.82 ? 124 THR   B N   1 
ATOM   1030 C CA  . THR   A 1 118 ? -33.375 -20.509 -8.870  1.00 13.69 ? 124 THR   B CA  1 
ATOM   1031 C C   . THR   A 1 118 ? -31.956 -20.029 -8.610  1.00 13.59 ? 124 THR   B C   1 
ATOM   1032 O O   . THR   A 1 118 ? -31.076 -20.860 -8.306  1.00 15.87 ? 124 THR   B O   1 
ATOM   1033 C CB  . THR   A 1 118 ? -34.047 -20.966 -7.563  1.00 16.28 ? 124 THR   B CB  1 
ATOM   1034 O OG1 . THR   A 1 118 ? -35.409 -21.256 -7.863  1.00 19.16 ? 124 THR   B OG1 1 
ATOM   1035 C CG2 . THR   A 1 118 ? -33.870 -19.925 -6.494  1.00 19.71 ? 124 THR   B CG2 1 
ATOM   1036 N N   . LEU   A 1 119 ? -31.693 -18.737 -8.732  1.00 11.88 ? 125 LEU   B N   1 
ATOM   1037 C CA  . LEU   A 1 119 ? -30.373 -18.153 -8.408  1.00 12.37 ? 125 LEU   B CA  1 
ATOM   1038 C C   . LEU   A 1 119 ? -30.438 -17.553 -7.000  1.00 14.88 ? 125 LEU   B C   1 
ATOM   1039 O O   . LEU   A 1 119 ? -31.553 -17.196 -6.513  1.00 17.71 ? 125 LEU   B O   1 
ATOM   1040 C CB  . LEU   A 1 119 ? -29.953 -17.085 -9.426  1.00 12.26 ? 125 LEU   B CB  1 
ATOM   1041 C CG  . LEU   A 1 119 ? -29.860 -17.613 -10.866 1.00 11.90 ? 125 LEU   B CG  1 
ATOM   1042 C CD1 . LEU   A 1 119 ? -29.660 -16.499 -11.871 1.00 12.35 ? 125 LEU   B CD1 1 
ATOM   1043 C CD2 . LEU   A 1 119 ? -28.742 -18.655 -10.999 1.00 12.72 ? 125 LEU   B CD2 1 
ATOM   1044 N N   . HIS   A 1 120 ? -29.299 -17.478 -6.346  1.00 14.07 ? 126 HIS   B N   1 
ATOM   1045 C CA  . HIS   A 1 120 ? -29.184 -16.995 -4.948  1.00 14.89 ? 126 HIS   B CA  1 
ATOM   1046 C C   . HIS   A 1 120 ? -28.373 -15.710 -4.993  1.00 16.15 ? 126 HIS   B C   1 
ATOM   1047 O O   . HIS   A 1 120 ? -27.148 -15.772 -4.926  1.00 21.26 ? 126 HIS   B O   1 
ATOM   1048 C CB  . HIS   A 1 120 ? -28.524 -18.080 -4.089  1.00 16.09 ? 126 HIS   B CB  1 
ATOM   1049 C CG  . HIS   A 1 120 ? -29.310 -19.365 -4.036  1.00 18.33 ? 126 HIS   B CG  1 
ATOM   1050 N ND1 . HIS   A 1 120 ? -28.998 -20.474 -4.841  1.00 21.82 ? 126 HIS   B ND1 1 
ATOM   1051 C CD2 . HIS   A 1 120 ? -30.398 -19.720 -3.326  1.00 22.12 ? 126 HIS   B CD2 1 
ATOM   1052 C CE1 . HIS   A 1 120 ? -29.889 -21.437 -4.612  1.00 22.54 ? 126 HIS   B CE1 1 
ATOM   1053 N NE2 . HIS   A 1 120 ? -30.702 -21.027 -3.641  1.00 21.16 ? 126 HIS   B NE2 1 
ATOM   1054 N N   . ILE   A 1 121 ? -29.004 -14.564 -5.063  1.00 17.89 ? 127 ILE   B N   1 
ATOM   1055 C CA  . ILE   A 1 121 ? -28.273 -13.276 -5.173  1.00 21.06 ? 127 ILE   B CA  1 
ATOM   1056 C C   . ILE   A 1 121 ? -28.649 -12.401 -3.960  1.00 21.28 ? 127 ILE   B C   1 
ATOM   1057 O O   . ILE   A 1 121 ? -29.819 -12.099 -3.792  1.00 26.60 ? 127 ILE   B O   1 
ATOM   1058 C CB  . ILE   A 1 121 ? -28.576 -12.598 -6.523  1.00 23.77 ? 127 ILE   B CB  1 
ATOM   1059 C CG1 . ILE   A 1 121 ? -28.250 -13.523 -7.710  1.00 21.25 ? 127 ILE   B CG1 1 
ATOM   1060 C CG2 . ILE   A 1 121 ? -27.793 -11.296 -6.594  1.00 26.71 ? 127 ILE   B CG2 1 
ATOM   1061 C CD1 . ILE   A 1 121 ? -28.442 -12.885 -9.062  1.00 23.66 ? 127 ILE   B CD1 1 
ATOM   1062 N N   . GLN   A 1 122 ? -27.682 -12.097 -3.117  1.00 25.87 ? 128 GLN   B N   1 
ATOM   1063 C CA  . GLN   A 1 122 ? -27.917 -11.296 -1.884  1.00 29.25 ? 128 GLN   B CA  1 
ATOM   1064 C C   . GLN   A 1 122 ? -27.918 -9.809  -2.251  1.00 26.30 ? 128 GLN   B C   1 
ATOM   1065 O O   . GLN   A 1 122 ? -28.702 -9.043  -1.623  1.00 25.07 ? 128 GLN   B O   1 
ATOM   1066 C CB  . GLN   A 1 122 ? -26.834 -11.669 -0.864  1.00 34.45 ? 128 GLN   B CB  1 
ATOM   1067 C CG  . GLN   A 1 122 ? -26.961 -10.958 0.484   1.00 45.94 ? 128 GLN   B CG  1 
ATOM   1068 C CD  . GLN   A 1 122 ? -28.284 -11.169 1.192   1.00 51.19 ? 128 GLN   B CD  1 
ATOM   1069 O OE1 . GLN   A 1 122 ? -29.013 -12.134 0.952   1.00 58.50 ? 128 GLN   B OE1 1 
ATOM   1070 N NE2 . GLN   A 1 122 ? -28.622 -10.234 2.068   1.00 54.65 ? 128 GLN   B NE2 1 
ATOM   1071 N N   . VAL   A 1 123 ? -27.108 -9.414  -3.236  1.00 22.98 ? 129 VAL   B N   1 
ATOM   1072 C CA  . VAL   A 1 123 ? -26.950 -7.977  -3.641  1.00 22.03 ? 129 VAL   B CA  1 
ATOM   1073 C C   . VAL   A 1 123 ? -27.501 -7.782  -5.053  1.00 23.24 ? 129 VAL   B C   1 
ATOM   1074 O O   . VAL   A 1 123 ? -26.896 -8.284  -6.001  1.00 20.92 ? 129 VAL   B O   1 
ATOM   1075 C CB  . VAL   A 1 123 ? -25.482 -7.542  -3.542  1.00 24.40 ? 129 VAL   B CB  1 
ATOM   1076 C CG1 . VAL   A 1 123 ? -25.255 -6.117  -4.046  1.00 24.78 ? 129 VAL   B CG1 1 
ATOM   1077 C CG2 . VAL   A 1 123 ? -24.968 -7.670  -2.111  1.00 26.45 ? 129 VAL   B CG2 1 
ATOM   1078 N N   . PRO   A 1 124 ? -28.732 -7.240  -5.217  1.00 20.38 ? 130 PRO   B N   1 
ATOM   1079 C CA  . PRO   A 1 124 ? -29.322 -7.077  -6.547  1.00 19.26 ? 130 PRO   B CA  1 
ATOM   1080 C C   . PRO   A 1 124 ? -28.325 -6.419  -7.479  1.00 18.08 ? 130 PRO   B C   1 
ATOM   1081 O O   . PRO   A 1 124 ? -27.824 -5.352  -7.197  1.00 18.08 ? 130 PRO   B O   1 
ATOM   1082 C CB  . PRO   A 1 124 ? -30.576 -6.202  -6.266  1.00 22.22 ? 130 PRO   B CB  1 
ATOM   1083 C CG  . PRO   A 1 124 ? -30.993 -6.683  -4.865  1.00 23.01 ? 130 PRO   B CG  1 
ATOM   1084 C CD  . PRO   A 1 124 ? -29.686 -6.848  -4.146  1.00 22.90 ? 130 PRO   B CD  1 
ATOM   1085 N N   . PRO   A 1 125 ? -27.943 -7.048  -8.609  1.00 16.80 ? 131 PRO   B N   1 
ATOM   1086 C CA  . PRO   A 1 125 ? -26.936 -6.465  -9.486  1.00 16.42 ? 131 PRO   B CA  1 
ATOM   1087 C C   . PRO   A 1 125 ? -27.413 -5.256  -10.302 1.00 15.45 ? 131 PRO   B C   1 
ATOM   1088 O O   . PRO   A 1 125 ? -28.550 -5.286  -10.775 1.00 17.40 ? 131 PRO   B O   1 
ATOM   1089 C CB  . PRO   A 1 125 ? -26.518 -7.618  -10.408 1.00 17.65 ? 131 PRO   B CB  1 
ATOM   1090 C CG  . PRO   A 1 125 ? -27.528 -8.701  -10.228 1.00 18.20 ? 131 PRO   B CG  1 
ATOM   1091 C CD  . PRO   A 1 125 ? -28.364 -8.397  -9.017  1.00 16.31 ? 131 PRO   B CD  1 
ATOM   1092 N N   . CYS   A 1 126 ? -26.565 -4.228  -10.413 1.00 15.76 ? 132 CYS   B N   1 
ATOM   1093 C CA  . CYS   A 1 126 ? -26.760 -3.103  -11.357 1.00 16.95 ? 132 CYS   B CA  1 
ATOM   1094 C C   . CYS   A 1 126 ? -25.985 -3.369  -12.660 1.00 14.65 ? 132 CYS   B C   1 
ATOM   1095 O O   . CYS   A 1 126 ? -26.327 -2.798  -13.712 1.00 13.44 ? 132 CYS   B O   1 
ATOM   1096 C CB  . CYS   A 1 126 ? -26.350 -1.767  -10.769 1.00 19.03 ? 132 CYS   B CB  1 
ATOM   1097 S SG  . CYS   A 1 126 ? -27.413 -1.293  -9.371  1.00 25.99 ? 132 CYS   B SG  1 
ATOM   1098 N N   A GLN   A 1 127 ? -24.922 -4.184  -12.614 0.25 15.03 ? 133 GLN   B N   1 
ATOM   1099 N N   B GLN   A 1 127 ? -24.979 -4.243  -12.593 0.25 15.56 ? 133 GLN   B N   1 
ATOM   1100 C CA  A GLN   A 1 127 ? -24.167 -4.592  -13.838 0.25 15.29 ? 133 GLN   B CA  1 
ATOM   1101 C CA  B GLN   A 1 127 ? -24.163 -4.623  -13.775 0.25 16.39 ? 133 GLN   B CA  1 
ATOM   1102 C C   A GLN   A 1 127 ? -23.834 -6.086  -13.750 0.25 14.79 ? 133 GLN   B C   1 
ATOM   1103 C C   B GLN   A 1 127 ? -23.911 -6.132  -13.721 0.25 15.42 ? 133 GLN   B C   1 
ATOM   1104 O O   A GLN   A 1 127 ? -23.472 -6.557  -12.652 0.25 13.34 ? 133 GLN   B O   1 
ATOM   1105 O O   B GLN   A 1 127 ? -23.742 -6.678  -12.610 0.25 13.63 ? 133 GLN   B O   1 
ATOM   1106 C CB  A GLN   A 1 127 ? -22.857 -3.828  -14.064 0.25 16.43 ? 133 GLN   B CB  1 
ATOM   1107 C CB  B GLN   A 1 127 ? -22.856 -3.832  -13.827 0.25 18.65 ? 133 GLN   B CB  1 
ATOM   1108 C CG  A GLN   A 1 127 ? -23.019 -2.340  -14.324 0.25 17.40 ? 133 GLN   B CG  1 
ATOM   1109 C CG  B GLN   A 1 127 ? -23.061 -2.340  -14.005 0.25 20.63 ? 133 GLN   B CG  1 
ATOM   1110 C CD  A GLN   A 1 127 ? -22.999 -1.576  -13.025 0.25 18.31 ? 133 GLN   B CD  1 
ATOM   1111 C CD  B GLN   A 1 127 ? -21.769 -1.601  -14.246 0.25 21.92 ? 133 GLN   B CD  1 
ATOM   1112 O OE1 A GLN   A 1 127 ? -22.274 -1.930  -12.097 0.25 18.55 ? 133 GLN   B OE1 1 
ATOM   1113 O OE1 B GLN   A 1 127 ? -20.742 -2.182  -14.596 0.25 25.32 ? 133 GLN   B OE1 1 
ATOM   1114 N NE2 A GLN   A 1 127 ? -23.805 -0.524  -12.948 0.25 18.15 ? 133 GLN   B NE2 1 
ATOM   1115 N NE2 B GLN   A 1 127 ? -21.822 -0.295  -14.068 0.25 23.47 ? 133 GLN   B NE2 1 
ATOM   1116 N N   . ILE   A 1 128 ? -23.954 -6.781  -14.886 1.00 13.95 ? 134 ILE   B N   1 
ATOM   1117 C CA  . ILE   A 1 128 ? -23.749 -8.244  -15.016 1.00 13.99 ? 134 ILE   B CA  1 
ATOM   1118 C C   . ILE   A 1 128 ? -22.528 -8.415  -15.908 1.00 14.20 ? 134 ILE   B C   1 
ATOM   1119 O O   . ILE   A 1 128 ? -22.489 -7.832  -17.020 1.00 12.82 ? 134 ILE   B O   1 
ATOM   1120 C CB  . ILE   A 1 128 ? -24.990 -8.902  -15.636 1.00 14.77 ? 134 ILE   B CB  1 
ATOM   1121 C CG1 . ILE   A 1 128 ? -26.268 -8.709  -14.814 1.00 16.14 ? 134 ILE   B CG1 1 
ATOM   1122 C CG2 . ILE   A 1 128 ? -24.704 -10.375 -15.914 1.00 14.74 ? 134 ILE   B CG2 1 
ATOM   1123 C CD1 . ILE   A 1 128 ? -26.272 -9.425  -13.558 1.00 15.33 ? 134 ILE   B CD1 1 
ATOM   1124 N N   . GLY   A 1 129 ? -21.574 -9.254  -15.498 1.00 13.40 ? 135 GLY   B N   1 
ATOM   1125 C CA  . GLY   A 1 129 ? -20.500 -9.707  -16.397 1.00 13.10 ? 135 GLY   B CA  1 
ATOM   1126 C C   . GLY   A 1 129 ? -20.820 -11.069 -16.994 1.00 12.85 ? 135 GLY   B C   1 
ATOM   1127 O O   . GLY   A 1 129 ? -21.345 -11.945 -16.299 1.00 12.09 ? 135 GLY   B O   1 
ATOM   1128 N N   . ILE   A 1 130 ? -20.571 -11.232 -18.291 1.00 13.66 ? 136 ILE   B N   1 
ATOM   1129 C CA  . ILE   A 1 130 ? -20.808 -12.484 -19.053 1.00 12.38 ? 136 ILE   B CA  1 
ATOM   1130 C C   . ILE   A 1 130 ? -19.486 -12.963 -19.652 1.00 12.58 ? 136 ILE   B C   1 
ATOM   1131 O O   . ILE   A 1 130 ? -18.815 -12.202 -20.332 1.00 13.11 ? 136 ILE   B O   1 
ATOM   1132 C CB  . ILE   A 1 130 ? -21.844 -12.243 -20.159 1.00 13.79 ? 136 ILE   B CB  1 
ATOM   1133 C CG1 . ILE   A 1 130 ? -23.147 -11.743 -19.532 1.00 15.44 ? 136 ILE   B CG1 1 
ATOM   1134 C CG2 . ILE   A 1 130 ? -22.069 -13.499 -21.018 1.00 14.56 ? 136 ILE   B CG2 1 
ATOM   1135 C CD1 . ILE   A 1 130 ? -24.184 -11.327 -20.489 1.00 18.15 ? 136 ILE   B CD1 1 
ATOM   1136 N N   . PHE   A 1 131 ? -19.111 -14.180 -19.304 1.00 12.37 ? 137 PHE   B N   1 
ATOM   1137 C CA  . PHE   A 1 131 ? -17.867 -14.831 -19.759 1.00 12.70 ? 137 PHE   B CA  1 
ATOM   1138 C C   . PHE   A 1 131 ? -18.216 -16.062 -20.578 1.00 11.60 ? 137 PHE   B C   1 
ATOM   1139 O O   . PHE   A 1 131 ? -18.983 -16.929 -20.109 1.00 12.39 ? 137 PHE   B O   1 
ATOM   1140 C CB  . PHE   A 1 131 ? -17.034 -15.269 -18.566 1.00 13.74 ? 137 PHE   B CB  1 
ATOM   1141 C CG  . PHE   A 1 131 ? -15.780 -16.021 -18.941 1.00 14.87 ? 137 PHE   B CG  1 
ATOM   1142 C CD1 . PHE   A 1 131 ? -14.776 -15.391 -19.648 1.00 16.37 ? 137 PHE   B CD1 1 
ATOM   1143 C CD2 . PHE   A 1 131 ? -15.607 -17.348 -18.599 1.00 16.49 ? 137 PHE   B CD2 1 
ATOM   1144 C CE1 . PHE   A 1 131 ? -13.603 -16.073 -19.955 1.00 19.14 ? 137 PHE   B CE1 1 
ATOM   1145 C CE2 . PHE   A 1 131 ? -14.446 -18.044 -18.925 1.00 17.78 ? 137 PHE   B CE2 1 
ATOM   1146 C CZ  . PHE   A 1 131 ? -13.445 -17.398 -19.602 1.00 16.63 ? 137 PHE   B CZ  1 
ATOM   1147 N N   . VAL   A 1 132 ? -17.627 -16.177 -21.764 1.00 12.04 ? 138 VAL   B N   1 
ATOM   1148 C CA  . VAL   A 1 132 ? -17.795 -17.388 -22.605 1.00 11.84 ? 138 VAL   B CA  1 
ATOM   1149 C C   . VAL   A 1 132 ? -16.412 -17.981 -22.917 1.00 11.52 ? 138 VAL   B C   1 
ATOM   1150 O O   . VAL   A 1 132 ? -15.527 -17.264 -23.374 1.00 13.41 ? 138 VAL   B O   1 
ATOM   1151 C CB  . VAL   A 1 132 ? -18.540 -17.068 -23.905 1.00 12.42 ? 138 VAL   B CB  1 
ATOM   1152 C CG1 . VAL   A 1 132 ? -18.632 -18.316 -24.779 1.00 12.83 ? 138 VAL   B CG1 1 
ATOM   1153 C CG2 . VAL   A 1 132 ? -19.906 -16.446 -23.599 1.00 13.49 ? 138 VAL   B CG2 1 
ATOM   1154 N N   . ASP   A 1 133 ? -16.260 -19.255 -22.621 1.00 13.29 ? 139 ASP   B N   1 
ATOM   1155 C CA  . ASP   A 1 133 ? -15.085 -20.050 -23.074 1.00 13.73 ? 139 ASP   B CA  1 
ATOM   1156 C C   . ASP   A 1 133 ? -15.608 -21.078 -24.066 1.00 12.93 ? 139 ASP   B C   1 
ATOM   1157 O O   . ASP   A 1 133 ? -16.226 -22.094 -23.682 1.00 12.90 ? 139 ASP   B O   1 
ATOM   1158 C CB  . ASP   A 1 133 ? -14.338 -20.638 -21.892 1.00 12.93 ? 139 ASP   B CB  1 
ATOM   1159 C CG  . ASP   A 1 133 ? -13.066 -21.374 -22.263 1.00 16.15 ? 139 ASP   B CG  1 
ATOM   1160 O OD1 . ASP   A 1 133 ? -12.956 -21.836 -23.435 1.00 17.53 ? 139 ASP   B OD1 1 
ATOM   1161 O OD2 . ASP   A 1 133 ? -12.237 -21.535 -21.285 1.00 20.18 ? 139 ASP   B OD2 1 
ATOM   1162 N N   . TYR   A 1 134 ? -15.401 -20.778 -25.348 1.00 13.27 ? 140 TYR   B N   1 
ATOM   1163 C CA  . TYR   A 1 134 ? -15.940 -21.611 -26.440 1.00 13.15 ? 140 TYR   B CA  1 
ATOM   1164 C C   . TYR   A 1 134 ? -15.388 -23.047 -26.342 1.00 14.46 ? 140 TYR   B C   1 
ATOM   1165 O O   . TYR   A 1 134 ? -16.141 -23.999 -26.315 1.00 16.02 ? 140 TYR   B O   1 
ATOM   1166 C CB  . TYR   A 1 134 ? -15.665 -20.974 -27.810 1.00 13.66 ? 140 TYR   B CB  1 
ATOM   1167 C CG  . TYR   A 1 134 ? -16.594 -21.562 -28.846 1.00 13.54 ? 140 TYR   B CG  1 
ATOM   1168 C CD1 . TYR   A 1 134 ? -16.430 -22.844 -29.332 1.00 13.39 ? 140 TYR   B CD1 1 
ATOM   1169 C CD2 . TYR   A 1 134 ? -17.733 -20.879 -29.243 1.00 13.87 ? 140 TYR   B CD2 1 
ATOM   1170 C CE1 . TYR   A 1 134 ? -17.329 -23.418 -30.206 1.00 14.11 ? 140 TYR   B CE1 1 
ATOM   1171 C CE2 . TYR   A 1 134 ? -18.644 -21.438 -30.113 1.00 12.69 ? 140 TYR   B CE2 1 
ATOM   1172 C CZ  . TYR   A 1 134 ? -18.435 -22.705 -30.626 1.00 13.51 ? 140 TYR   B CZ  1 
ATOM   1173 O OH  . TYR   A 1 134 ? -19.335 -23.298 -31.462 1.00 13.53 ? 140 TYR   B OH  1 
ATOM   1174 N N   . GLU   A 1 135 ? -14.075 -23.187 -26.261 1.00 16.64 ? 141 GLU   B N   1 
ATOM   1175 C CA  . GLU   A 1 135 ? -13.441 -24.531 -26.287 1.00 17.27 ? 141 GLU   B CA  1 
ATOM   1176 C C   . GLU   A 1 135 ? -13.882 -25.329 -25.061 1.00 15.80 ? 141 GLU   B C   1 
ATOM   1177 O O   . GLU   A 1 135 ? -14.231 -26.508 -25.203 1.00 18.52 ? 141 GLU   B O   1 
ATOM   1178 C CB  . GLU   A 1 135 ? -11.926 -24.401 -26.398 1.00 19.26 ? 141 GLU   B CB  1 
ATOM   1179 C CG  . GLU   A 1 135 ? -11.473 -24.204 -27.849 1.00 25.65 ? 141 GLU   B CG  1 
ATOM   1180 C CD  . GLU   A 1 135 ? -11.941 -22.912 -28.433 1.00 29.70 ? 141 GLU   B CD  1 
ATOM   1181 O OE1 . GLU   A 1 135 ? -12.257 -22.906 -29.592 1.00 26.06 ? 141 GLU   B OE1 1 
ATOM   1182 O OE2 . GLU   A 1 135 ? -12.015 -21.910 -27.676 1.00 34.93 ? 141 GLU   B OE2 1 
ATOM   1183 N N   . ALA   A 1 136 ? -13.958 -24.717 -23.884 1.00 15.37 ? 142 ALA   B N   1 
ATOM   1184 C CA  . ALA   A 1 136 ? -14.320 -25.414 -22.640 1.00 16.64 ? 142 ALA   B CA  1 
ATOM   1185 C C   . ALA   A 1 136 ? -15.818 -25.724 -22.571 1.00 16.17 ? 142 ALA   B C   1 
ATOM   1186 O O   . ALA   A 1 136 ? -16.209 -26.580 -21.763 1.00 18.35 ? 142 ALA   B O   1 
ATOM   1187 C CB  . ALA   A 1 136 ? -13.891 -24.568 -21.463 1.00 17.51 ? 142 ALA   B CB  1 
ATOM   1188 N N   . GLY   A 1 137 ? -16.662 -25.058 -23.364 1.00 12.92 ? 143 GLY   B N   1 
ATOM   1189 C CA  . GLY   A 1 137 ? -18.105 -25.221 -23.273 1.00 12.07 ? 143 GLY   B CA  1 
ATOM   1190 C C   . GLY   A 1 137 ? -18.662 -24.582 -21.995 1.00 12.07 ? 143 GLY   B C   1 
ATOM   1191 O O   . GLY   A 1 137 ? -19.408 -25.288 -21.285 1.00 12.36 ? 143 GLY   B O   1 
ATOM   1192 N N   . VAL   A 1 138 ? -18.261 -23.354 -21.683 1.00 12.54 ? 144 VAL   B N   1 
ATOM   1193 C CA  . VAL   A 1 138 ? -18.647 -22.656 -20.414 1.00 12.89 ? 144 VAL   B CA  1 
ATOM   1194 C C   . VAL   A 1 138 ? -19.276 -21.304 -20.737 1.00 11.71 ? 144 VAL   B C   1 
ATOM   1195 O O   . VAL   A 1 138 ? -18.713 -20.515 -21.530 1.00 13.06 ? 144 VAL   B O   1 
ATOM   1196 C CB  . VAL   A 1 138 ? -17.427 -22.498 -19.493 1.00 14.43 ? 144 VAL   B CB  1 
ATOM   1197 C CG1 . VAL   A 1 138 ? -17.711 -21.566 -18.306 1.00 15.03 ? 144 VAL   B CG1 1 
ATOM   1198 C CG2 . VAL   A 1 138 ? -16.977 -23.881 -19.039 1.00 15.21 ? 144 VAL   B CG2 1 
ATOM   1199 N N   . VAL   A 1 139 ? -20.361 -20.988 -20.037 1.00 11.94 ? 145 VAL   B N   1 
ATOM   1200 C CA  . VAL   A 1 139 ? -20.904 -19.611 -19.985 1.00 10.65 ? 145 VAL   B CA  1 
ATOM   1201 C C   . VAL   A 1 139 ? -21.106 -19.270 -18.502 1.00 10.35 ? 145 VAL   B C   1 
ATOM   1202 O O   . VAL   A 1 139 ? -21.885 -19.983 -17.854 1.00 11.10 ? 145 VAL   B O   1 
ATOM   1203 C CB  . VAL   A 1 139 ? -22.249 -19.509 -20.742 1.00 11.10 ? 145 VAL   B CB  1 
ATOM   1204 C CG1 . VAL   A 1 139 ? -22.723 -18.057 -20.723 1.00 11.78 ? 145 VAL   B CG1 1 
ATOM   1205 C CG2 . VAL   A 1 139 ? -22.123 -20.075 -22.148 1.00 11.03 ? 145 VAL   B CG2 1 
ATOM   1206 N N   . SER   A 1 140 ? -20.472 -18.215 -18.039 1.00 10.38 ? 146 SER   B N   1 
ATOM   1207 C CA  . SER   A 1 140 ? -20.560 -17.805 -16.612 1.00 10.80 ? 146 SER   B CA  1 
ATOM   1208 C C   . SER   A 1 140 ? -21.056 -16.370 -16.501 1.00 10.85 ? 146 SER   B C   1 
ATOM   1209 O O   . SER   A 1 140 ? -20.725 -15.525 -17.353 1.00 11.59 ? 146 SER   B O   1 
ATOM   1210 C CB  . SER   A 1 140 ? -19.214 -17.964 -15.944 1.00 11.79 ? 146 SER   B CB  1 
ATOM   1211 O OG  . SER   A 1 140 ? -18.870 -19.335 -15.836 1.00 12.99 ? 146 SER   B OG  1 
ATOM   1212 N N   . PHE   A 1 141 ? -21.778 -16.091 -15.428 1.00 10.29 ? 147 PHE   B N   1 
ATOM   1213 C CA  . PHE   A 1 141 ? -22.360 -14.779 -15.114 1.00 10.51 ? 147 PHE   B CA  1 
ATOM   1214 C C   . PHE   A 1 141 ? -21.842 -14.311 -13.756 1.00 11.07 ? 147 PHE   B C   1 
ATOM   1215 O O   . PHE   A 1 141 ? -21.866 -15.120 -12.807 1.00 11.01 ? 147 PHE   B O   1 
ATOM   1216 C CB  . PHE   A 1 141 ? -23.892 -14.868 -15.110 1.00 10.61 ? 147 PHE   B CB  1 
ATOM   1217 C CG  . PHE   A 1 141 ? -24.474 -15.289 -16.428 1.00 10.50 ? 147 PHE   B CG  1 
ATOM   1218 C CD1 . PHE   A 1 141 ? -24.549 -16.643 -16.782 1.00 10.20 ? 147 PHE   B CD1 1 
ATOM   1219 C CD2 . PHE   A 1 141 ? -24.947 -14.335 -17.319 1.00 10.83 ? 147 PHE   B CD2 1 
ATOM   1220 C CE1 . PHE   A 1 141 ? -25.019 -16.995 -18.045 1.00 10.09 ? 147 PHE   B CE1 1 
ATOM   1221 C CE2 . PHE   A 1 141 ? -25.477 -14.700 -18.559 1.00 9.79  ? 147 PHE   B CE2 1 
ATOM   1222 C CZ  . PHE   A 1 141 ? -25.521 -16.035 -18.914 1.00 9.52  ? 147 PHE   B CZ  1 
ATOM   1223 N N   . TYR   A 1 142 ? -21.468 -13.036 -13.699 1.00 11.74 ? 148 TYR   B N   1 
ATOM   1224 C CA  . TYR   A 1 142 ? -20.841 -12.391 -12.521 1.00 13.25 ? 148 TYR   B CA  1 
ATOM   1225 C C   . TYR   A 1 142 ? -21.626 -11.141 -12.097 1.00 14.23 ? 148 TYR   B C   1 
ATOM   1226 O O   . TYR   A 1 142 ? -22.147 -10.384 -12.919 1.00 13.68 ? 148 TYR   B O   1 
ATOM   1227 C CB  . TYR   A 1 142 ? -19.371 -12.120 -12.797 1.00 13.89 ? 148 TYR   B CB  1 
ATOM   1228 C CG  . TYR   A 1 142 ? -18.598 -13.374 -13.065 1.00 13.86 ? 148 TYR   B CG  1 
ATOM   1229 C CD1 . TYR   A 1 142 ? -18.100 -14.145 -12.033 1.00 14.73 ? 148 TYR   B CD1 1 
ATOM   1230 C CD2 . TYR   A 1 142 ? -18.386 -13.817 -14.354 1.00 14.84 ? 148 TYR   B CD2 1 
ATOM   1231 C CE1 . TYR   A 1 142 ? -17.417 -15.330 -12.282 1.00 15.10 ? 148 TYR   B CE1 1 
ATOM   1232 C CE2 . TYR   A 1 142 ? -17.684 -14.978 -14.624 1.00 14.97 ? 148 TYR   B CE2 1 
ATOM   1233 C CZ  . TYR   A 1 142 ? -17.164 -15.733 -13.582 1.00 15.22 ? 148 TYR   B CZ  1 
ATOM   1234 O OH  . TYR   A 1 142 ? -16.514 -16.919 -13.853 1.00 17.56 ? 148 TYR   B OH  1 
ATOM   1235 N N   . ASN   A 1 143 ? -21.676 -10.915 -10.783 1.00 14.65 ? 149 ASN   B N   1 
ATOM   1236 C CA  . ASN   A 1 143 ? -22.384 -9.763  -10.151 1.00 14.25 ? 149 ASN   B CA  1 
ATOM   1237 C C   . ASN   A 1 143 ? -21.356 -8.636  -9.972  1.00 15.25 ? 149 ASN   B C   1 
ATOM   1238 O O   . ASN   A 1 143 ? -20.552 -8.681  -9.018  1.00 16.11 ? 149 ASN   B O   1 
ATOM   1239 C CB  . ASN   A 1 143 ? -23.020 -10.211 -8.837  1.00 15.07 ? 149 ASN   B CB  1 
ATOM   1240 C CG  . ASN   A 1 143 ? -23.822 -9.110  -8.171  1.00 15.44 ? 149 ASN   B CG  1 
ATOM   1241 O OD1 . ASN   A 1 143 ? -23.685 -7.940  -8.546  1.00 16.66 ? 149 ASN   B OD1 1 
ATOM   1242 N ND2 . ASN   A 1 143 ? -24.703 -9.484  -7.278  1.00 15.51 ? 149 ASN   B ND2 1 
ATOM   1243 N N   . ILE   A 1 144 ? -21.270 -7.687  -10.891 1.00 15.15 ? 150 ILE   B N   1 
ATOM   1244 C CA  . ILE   A 1 144 ? -20.202 -6.662  -10.848 1.00 16.85 ? 150 ILE   B CA  1 
ATOM   1245 C C   . ILE   A 1 144 ? -20.437 -5.804  -9.579  1.00 18.18 ? 150 ILE   B C   1 
ATOM   1246 O O   . ILE   A 1 144 ? -19.456 -5.328  -9.001  1.00 20.34 ? 150 ILE   B O   1 
ATOM   1247 C CB  . ILE   A 1 144 ? -20.221 -5.835  -12.137 1.00 18.30 ? 150 ILE   B CB  1 
ATOM   1248 C CG1 . ILE   A 1 144 ? -20.049 -6.696  -13.399 1.00 18.25 ? 150 ILE   B CG1 1 
ATOM   1249 C CG2 . ILE   A 1 144 ? -19.189 -4.718  -12.097 1.00 19.51 ? 150 ILE   B CG2 1 
ATOM   1250 C CD1 . ILE   A 1 144 ? -18.959 -7.730  -13.277 1.00 21.78 ? 150 ILE   B CD1 1 
ATOM   1251 N N   . THR   A 1 145 ? -21.687 -5.594  -9.200  1.00 18.74 ? 151 THR   B N   1 
ATOM   1252 C CA  . THR   A 1 145 ? -22.083 -4.752  -8.023  1.00 18.47 ? 151 THR   B CA  1 
ATOM   1253 C C   . THR   A 1 145 ? -21.549 -5.361  -6.727  1.00 22.24 ? 151 THR   B C   1 
ATOM   1254 O O   . THR   A 1 145 ? -21.142 -4.595  -5.834  1.00 24.48 ? 151 THR   B O   1 
ATOM   1255 C CB  . THR   A 1 145 ? -23.609 -4.568  -7.963  1.00 18.59 ? 151 THR   B CB  1 
ATOM   1256 O OG1 . THR   A 1 145 ? -24.027 -4.126  -9.253  1.00 19.09 ? 151 THR   B OG1 1 
ATOM   1257 C CG2 . THR   A 1 145 ? -24.026 -3.557  -6.914  1.00 20.82 ? 151 THR   B CG2 1 
ATOM   1258 N N   . ASP   A 1 146 ? -21.439 -6.679  -6.671  1.00 20.85 ? 152 ASP   B N   1 
ATOM   1259 C CA  . ASP   A 1 146 ? -20.951 -7.428  -5.486  1.00 22.17 ? 152 ASP   B CA  1 
ATOM   1260 C C   . ASP   A 1 146 ? -19.543 -7.974  -5.738  1.00 22.74 ? 152 ASP   B C   1 
ATOM   1261 O O   . ASP   A 1 146 ? -19.346 -9.175  -5.569  1.00 22.93 ? 152 ASP   B O   1 
ATOM   1262 C CB  . ASP   A 1 146 ? -21.977 -8.466  -5.113  1.00 21.17 ? 152 ASP   B CB  1 
ATOM   1263 C CG  . ASP   A 1 146 ? -21.575 -9.264  -3.899  1.00 26.82 ? 152 ASP   B CG  1 
ATOM   1264 O OD1 . ASP   A 1 146 ? -21.097 -8.626  -2.917  1.00 25.47 ? 152 ASP   B OD1 1 
ATOM   1265 O OD2 . ASP   A 1 146 ? -21.738 -10.509 -3.959  1.00 25.52 ? 152 ASP   B OD2 1 
ATOM   1266 N N   . HIS   A 1 147 ? -18.602 -7.113  -6.112  1.00 23.63 ? 153 HIS   B N   1 
ATOM   1267 C CA  . HIS   A 1 147 ? -17.166 -7.462  -6.262  1.00 27.91 ? 153 HIS   B CA  1 
ATOM   1268 C C   . HIS   A 1 147 ? -17.011 -8.668  -7.211  1.00 26.31 ? 153 HIS   B C   1 
ATOM   1269 O O   . HIS   A 1 147 ? -16.082 -9.459  -7.030  1.00 26.79 ? 153 HIS   B O   1 
ATOM   1270 C CB  . HIS   A 1 147 ? -16.517 -7.821  -4.912  1.00 34.49 ? 153 HIS   B CB  1 
ATOM   1271 C CG  . HIS   A 1 147 ? -16.844 -6.965  -3.725  1.00 41.90 ? 153 HIS   B CG  1 
ATOM   1272 N ND1 . HIS   A 1 147 ? -16.199 -5.763  -3.467  1.00 48.78 ? 153 HIS   B ND1 1 
ATOM   1273 C CD2 . HIS   A 1 147 ? -17.664 -7.187  -2.669  1.00 48.84 ? 153 HIS   B CD2 1 
ATOM   1274 C CE1 . HIS   A 1 147 ? -16.659 -5.247  -2.338  1.00 53.47 ? 153 HIS   B CE1 1 
ATOM   1275 N NE2 . HIS   A 1 147 ? -17.558 -6.106  -1.822  1.00 49.60 ? 153 HIS   B NE2 1 
ATOM   1276 N N   . GLY   A 1 148 ? -17.872 -8.823  -8.216  1.00 20.79 ? 154 GLY   B N   1 
ATOM   1277 C CA  . GLY   A 1 148 ? -17.626 -9.828  -9.270  1.00 18.84 ? 154 GLY   B CA  1 
ATOM   1278 C C   . GLY   A 1 148 ? -18.028 -11.224 -8.833  1.00 17.32 ? 154 GLY   B C   1 
ATOM   1279 O O   . GLY   A 1 148 ? -17.502 -12.155 -9.399  1.00 16.82 ? 154 GLY   B O   1 
ATOM   1280 N N   . SER   A 1 149 ? -18.867 -11.360 -7.813  1.00 16.25 ? 155 SER   B N   1 
ATOM   1281 C CA  . SER   A 1 149 ? -19.245 -12.680 -7.241  1.00 14.99 ? 155 SER   B CA  1 
ATOM   1282 C C   . SER   A 1 149 ? -19.930 -13.541 -8.312  1.00 15.80 ? 155 SER   B C   1 
ATOM   1283 O O   . SER   A 1 149 ? -20.713 -13.020 -9.125  1.00 15.12 ? 155 SER   B O   1 
ATOM   1284 C CB  . SER   A 1 149 ? -20.091 -12.545 -6.006  1.00 16.25 ? 155 SER   B CB  1 
ATOM   1285 O OG  . SER   A 1 149 ? -21.284 -11.800 -6.198  1.00 17.54 ? 155 SER   B OG  1 
ATOM   1286 N N   . LEU   A 1 150 ? -19.695 -14.838 -8.310  1.00 14.17 ? 156 LEU   B N   1 
ATOM   1287 C CA  . LEU   A 1 150 ? -20.365 -15.730 -9.311  1.00 13.44 ? 156 LEU   B CA  1 
ATOM   1288 C C   . LEU   A 1 150 ? -21.866 -15.794 -9.077  1.00 13.10 ? 156 LEU   B C   1 
ATOM   1289 O O   . LEU   A 1 150 ? -22.356 -16.040 -7.945  1.00 13.66 ? 156 LEU   B O   1 
ATOM   1290 C CB  . LEU   A 1 150 ? -19.751 -17.129 -9.200  1.00 13.93 ? 156 LEU   B CB  1 
ATOM   1291 C CG  . LEU   A 1 150 ? -20.282 -18.212 -10.141 1.00 13.60 ? 156 LEU   B CG  1 
ATOM   1292 C CD1 . LEU   A 1 150 ? -19.940 -17.935 -11.600 1.00 13.64 ? 156 LEU   B CD1 1 
ATOM   1293 C CD2 . LEU   A 1 150 ? -19.729 -19.602 -9.718  1.00 14.44 ? 156 LEU   B CD2 1 
ATOM   1294 N N   . ILE   A 1 151 ? -22.607 -15.670 -10.169 1.00 11.25 ? 157 ILE   B N   1 
ATOM   1295 C CA  . ILE   A 1 151 ? -24.059 -15.885 -10.215 1.00 12.38 ? 157 ILE   B CA  1 
ATOM   1296 C C   . ILE   A 1 151 ? -24.358 -17.308 -10.671 1.00 11.62 ? 157 ILE   B C   1 
ATOM   1297 O O   . ILE   A 1 151 ? -25.182 -17.974 -10.060 1.00 11.09 ? 157 ILE   B O   1 
ATOM   1298 C CB  . ILE   A 1 151 ? -24.732 -14.812 -11.083 1.00 12.43 ? 157 ILE   B CB  1 
ATOM   1299 C CG1 . ILE   A 1 151 ? -24.541 -13.410 -10.503 1.00 12.41 ? 157 ILE   B CG1 1 
ATOM   1300 C CG2 . ILE   A 1 151 ? -26.211 -15.134 -11.285 1.00 12.51 ? 157 ILE   B CG2 1 
ATOM   1301 C CD1 . ILE   A 1 151 ? -24.993 -12.298 -11.411 1.00 13.71 ? 157 ILE   B CD1 1 
ATOM   1302 N N   . TYR   A 1 152 ? -23.802 -17.733 -11.811 1.00 10.49 ? 158 TYR   B N   1 
ATOM   1303 C CA  . TYR   A 1 152 ? -24.189 -19.026 -12.397 1.00 10.64 ? 158 TYR   B CA  1 
ATOM   1304 C C   . TYR   A 1 152 ? -23.155 -19.420 -13.452 1.00 10.44 ? 158 TYR   B C   1 
ATOM   1305 O O   . TYR   A 1 152 ? -22.680 -18.545 -14.183 1.00 10.80 ? 158 TYR   B O   1 
ATOM   1306 C CB  . TYR   A 1 152 ? -25.569 -18.953 -13.087 1.00 11.27 ? 158 TYR   B CB  1 
ATOM   1307 C CG  . TYR   A 1 152 ? -26.094 -20.308 -13.449 1.00 10.98 ? 158 TYR   B CG  1 
ATOM   1308 C CD1 . TYR   A 1 152 ? -26.713 -21.110 -12.498 1.00 11.68 ? 158 TYR   B CD1 1 
ATOM   1309 C CD2 . TYR   A 1 152 ? -25.965 -20.835 -14.737 1.00 10.15 ? 158 TYR   B CD2 1 
ATOM   1310 C CE1 . TYR   A 1 152 ? -27.138 -22.399 -12.807 1.00 11.54 ? 158 TYR   B CE1 1 
ATOM   1311 C CE2 . TYR   A 1 152 ? -26.421 -22.112 -15.052 1.00 11.07 ? 158 TYR   B CE2 1 
ATOM   1312 C CZ  . TYR   A 1 152 ? -26.991 -22.906 -14.084 1.00 10.92 ? 158 TYR   B CZ  1 
ATOM   1313 O OH  . TYR   A 1 152 ? -27.397 -24.198 -14.310 1.00 13.93 ? 158 TYR   B OH  1 
ATOM   1314 N N   . THR   A 1 153 ? -22.885 -20.717 -13.535 1.00 10.54 ? 159 THR   B N   1 
ATOM   1315 C CA  . THR   A 1 153 ? -22.040 -21.315 -14.597 1.00 11.34 ? 159 THR   B CA  1 
ATOM   1316 C C   . THR   A 1 153 ? -22.838 -22.407 -15.297 1.00 11.35 ? 159 THR   B C   1 
ATOM   1317 O O   . THR   A 1 153 ? -23.216 -23.416 -14.669 1.00 11.58 ? 159 THR   B O   1 
ATOM   1318 C CB  . THR   A 1 153 ? -20.718 -21.873 -14.045 1.00 11.53 ? 159 THR   B CB  1 
ATOM   1319 O OG1 . THR   A 1 153 ? -19.924 -20.764 -13.649 1.00 11.79 ? 159 THR   B OG1 1 
ATOM   1320 C CG2 . THR   A 1 153 ? -19.966 -22.660 -15.095 1.00 13.06 ? 159 THR   B CG2 1 
ATOM   1321 N N   . PHE   A 1 154 ? -23.028 -22.268 -16.608 1.00 11.11 ? 160 PHE   B N   1 
ATOM   1322 C CA  . PHE   A 1 154 ? -23.452 -23.383 -17.484 1.00 11.11 ? 160 PHE   B CA  1 
ATOM   1323 C C   . PHE   A 1 154 ? -22.159 -24.068 -17.922 1.00 12.30 ? 160 PHE   B C   1 
ATOM   1324 O O   . PHE   A 1 154 ? -21.282 -23.416 -18.518 1.00 11.95 ? 160 PHE   B O   1 
ATOM   1325 C CB  . PHE   A 1 154 ? -24.140 -22.912 -18.761 1.00 11.75 ? 160 PHE   B CB  1 
ATOM   1326 C CG  . PHE   A 1 154 ? -25.498 -22.282 -18.621 1.00 9.60  ? 160 PHE   B CG  1 
ATOM   1327 C CD1 . PHE   A 1 154 ? -25.625 -20.924 -18.342 1.00 10.54 ? 160 PHE   B CD1 1 
ATOM   1328 C CD2 . PHE   A 1 154 ? -26.642 -23.021 -18.827 1.00 11.02 ? 160 PHE   B CD2 1 
ATOM   1329 C CE1 . PHE   A 1 154 ? -26.892 -20.353 -18.243 1.00 10.64 ? 160 PHE   B CE1 1 
ATOM   1330 C CE2 . PHE   A 1 154 ? -27.905 -22.423 -18.777 1.00 10.79 ? 160 PHE   B CE2 1 
ATOM   1331 C CZ  . PHE   A 1 154 ? -28.017 -21.096 -18.463 1.00 10.22 ? 160 PHE   B CZ  1 
ATOM   1332 N N   . SER   A 1 155 ? -22.065 -25.362 -17.663 1.00 13.21 ? 161 SER   B N   1 
ATOM   1333 C CA  . SER   A 1 155 ? -20.896 -26.120 -18.141 1.00 14.55 ? 161 SER   B CA  1 
ATOM   1334 C C   . SER   A 1 155 ? -21.357 -27.295 -19.008 1.00 14.75 ? 161 SER   B C   1 
ATOM   1335 O O   . SER   A 1 155 ? -22.572 -27.546 -19.125 1.00 16.03 ? 161 SER   B O   1 
ATOM   1336 C CB  . SER   A 1 155 ? -20.064 -26.552 -16.964 1.00 15.83 ? 161 SER   B CB  1 
ATOM   1337 O OG  . SER   A 1 155 ? -20.750 -27.525 -16.227 1.00 18.33 ? 161 SER   B OG  1 
ATOM   1338 N N   . GLU   A 1 156 ? -20.398 -27.921 -19.698 1.00 16.27 ? 162 GLU   B N   1 
ATOM   1339 C CA  . GLU   A 1 156 ? -20.709 -28.996 -20.687 1.00 17.75 ? 162 GLU   B CA  1 
ATOM   1340 C C   . GLU   A 1 156 ? -21.688 -28.443 -21.738 1.00 17.09 ? 162 GLU   B C   1 
ATOM   1341 O O   . GLU   A 1 156 ? -22.610 -29.193 -22.172 1.00 18.31 ? 162 GLU   B O   1 
ATOM   1342 C CB  . GLU   A 1 156 ? -21.396 -30.191 -20.048 1.00 22.12 ? 162 GLU   B CB  1 
ATOM   1343 C CG  . GLU   A 1 156 ? -20.785 -30.693 -18.765 1.00 27.46 ? 162 GLU   B CG  1 
ATOM   1344 C CD  . GLU   A 1 156 ? -21.495 -31.980 -18.370 1.00 36.77 ? 162 GLU   B CD  1 
ATOM   1345 O OE1 . GLU   A 1 156 ? -22.447 -31.921 -17.559 1.00 39.85 ? 162 GLU   B OE1 1 
ATOM   1346 O OE2 . GLU   A 1 156 ? -21.148 -33.033 -18.944 1.00 43.60 ? 162 GLU   B OE2 1 
ATOM   1347 N N   . CYS   A 1 157 ? -21.507 -27.186 -22.149 1.00 15.29 ? 163 CYS   B N   1 
ATOM   1348 C CA  . CYS   A 1 157 ? -22.436 -26.569 -23.121 1.00 13.87 ? 163 CYS   B CA  1 
ATOM   1349 C C   . CYS   A 1 157 ? -22.196 -27.192 -24.495 1.00 14.89 ? 163 CYS   B C   1 
ATOM   1350 O O   . CYS   A 1 157 ? -20.989 -27.366 -24.856 1.00 15.54 ? 163 CYS   B O   1 
ATOM   1351 C CB  . CYS   A 1 157 ? -22.243 -25.072 -23.274 1.00 13.54 ? 163 CYS   B CB  1 
ATOM   1352 S SG  . CYS   A 1 157 ? -22.626 -24.140 -21.759 1.00 14.18 ? 163 CYS   B SG  1 
ATOM   1353 N N   . VAL   A 1 158 ? -23.262 -27.435 -25.247 1.00 14.32 ? 164 VAL   B N   1 
ATOM   1354 C CA  . VAL   A 1 158 ? -23.126 -27.947 -26.629 1.00 15.53 ? 164 VAL   B CA  1 
ATOM   1355 C C   . VAL   A 1 158 ? -23.549 -26.805 -27.566 1.00 14.54 ? 164 VAL   B C   1 
ATOM   1356 O O   . VAL   A 1 158 ? -24.716 -26.674 -27.922 1.00 16.45 ? 164 VAL   B O   1 
ATOM   1357 C CB  . VAL   A 1 158 ? -23.894 -29.283 -26.764 1.00 18.06 ? 164 VAL   B CB  1 
ATOM   1358 C CG1 . VAL   A 1 158 ? -23.785 -29.783 -28.200 1.00 20.13 ? 164 VAL   B CG1 1 
ATOM   1359 C CG2 . VAL   A 1 158 ? -23.359 -30.320 -25.780 1.00 19.61 ? 164 VAL   B CG2 1 
ATOM   1360 N N   . PHE   A 1 159 ? -22.640 -25.877 -27.878 1.00 13.04 ? 165 PHE   B N   1 
ATOM   1361 C CA  . PHE   A 1 159 ? -22.991 -24.641 -28.604 1.00 13.37 ? 165 PHE   B CA  1 
ATOM   1362 C C   . PHE   A 1 159 ? -23.538 -25.007 -29.994 1.00 15.20 ? 165 PHE   B C   1 
ATOM   1363 O O   . PHE   A 1 159 ? -24.545 -24.436 -30.429 1.00 15.24 ? 165 PHE   B O   1 
ATOM   1364 C CB  . PHE   A 1 159 ? -21.828 -23.674 -28.627 1.00 14.25 ? 165 PHE   B CB  1 
ATOM   1365 C CG  . PHE   A 1 159 ? -21.357 -23.183 -27.270 1.00 12.83 ? 165 PHE   B CG  1 
ATOM   1366 C CD1 . PHE   A 1 159 ? -22.270 -22.713 -26.326 1.00 12.65 ? 165 PHE   B CD1 1 
ATOM   1367 C CD2 . PHE   A 1 159 ? -20.009 -23.193 -26.934 1.00 14.39 ? 165 PHE   B CD2 1 
ATOM   1368 C CE1 . PHE   A 1 159 ? -21.830 -22.220 -25.100 1.00 12.16 ? 165 PHE   B CE1 1 
ATOM   1369 C CE2 . PHE   A 1 159 ? -19.580 -22.749 -25.691 1.00 13.54 ? 165 PHE   B CE2 1 
ATOM   1370 C CZ  . PHE   A 1 159 ? -20.491 -22.248 -24.786 1.00 13.22 ? 165 PHE   B CZ  1 
ATOM   1371 N N   . ALA   A 1 160 ? -22.857 -25.916 -30.688 1.00 13.90 ? 166 ALA   B N   1 
ATOM   1372 C CA  . ALA   A 1 160 ? -23.303 -26.467 -31.982 1.00 14.63 ? 166 ALA   B CA  1 
ATOM   1373 C C   . ALA   A 1 160 ? -23.413 -25.380 -33.061 1.00 14.13 ? 166 ALA   B C   1 
ATOM   1374 O O   . ALA   A 1 160 ? -24.200 -25.581 -34.043 1.00 15.96 ? 166 ALA   B O   1 
ATOM   1375 C CB  . ALA   A 1 160 ? -24.587 -27.203 -31.821 1.00 14.62 ? 166 ALA   B CB  1 
ATOM   1376 N N   . GLY   A 1 161 ? -22.640 -24.314 -32.960 1.00 14.07 ? 167 GLY   B N   1 
ATOM   1377 C CA  . GLY   A 1 161 ? -22.577 -23.265 -33.980 1.00 15.88 ? 167 GLY   B CA  1 
ATOM   1378 C C   . GLY   A 1 161 ? -21.961 -21.989 -33.462 1.00 13.70 ? 167 GLY   B C   1 
ATOM   1379 O O   . GLY   A 1 161 ? -21.543 -21.928 -32.272 1.00 13.94 ? 167 GLY   B O   1 
ATOM   1380 N N   . PRO   A 1 162 ? -21.882 -20.957 -34.308 1.00 13.03 ? 168 PRO   B N   1 
ATOM   1381 C CA  . PRO   A 1 162 ? -21.410 -19.658 -33.873 1.00 12.52 ? 168 PRO   B CA  1 
ATOM   1382 C C   . PRO   A 1 162 ? -22.361 -19.091 -32.808 1.00 13.17 ? 168 PRO   B C   1 
ATOM   1383 O O   . PRO   A 1 162 ? -23.561 -19.372 -32.835 1.00 13.53 ? 168 PRO   B O   1 
ATOM   1384 C CB  . PRO   A 1 162 ? -21.387 -18.767 -35.125 1.00 12.68 ? 168 PRO   B CB  1 
ATOM   1385 C CG  . PRO   A 1 162 ? -21.490 -19.756 -36.264 1.00 13.19 ? 168 PRO   B CG  1 
ATOM   1386 C CD  . PRO   A 1 162 ? -22.249 -20.942 -35.736 1.00 12.73 ? 168 PRO   B CD  1 
ATOM   1387 N N   . LEU   A 1 163 ? -21.769 -18.361 -31.871 1.00 12.59 ? 169 LEU   B N   1 
ATOM   1388 C CA  . LEU   A 1 163 ? -22.545 -17.734 -30.760 1.00 12.55 ? 169 LEU   B CA  1 
ATOM   1389 C C   . LEU   A 1 163 ? -22.669 -16.246 -31.006 1.00 13.66 ? 169 LEU   B C   1 
ATOM   1390 O O   . LEU   A 1 163 ? -21.721 -15.598 -31.490 1.00 13.79 ? 169 LEU   B O   1 
ATOM   1391 C CB  . LEU   A 1 163 ? -21.858 -17.990 -29.410 1.00 12.84 ? 169 LEU   B CB  1 
ATOM   1392 C CG  . LEU   A 1 163 ? -21.892 -19.417 -28.863 1.00 13.29 ? 169 LEU   B CG  1 
ATOM   1393 C CD1 . LEU   A 1 163 ? -21.114 -19.474 -27.562 1.00 13.83 ? 169 LEU   B CD1 1 
ATOM   1394 C CD2 . LEU   A 1 163 ? -23.322 -19.893 -28.694 1.00 13.93 ? 169 LEU   B CD2 1 
ATOM   1395 N N   . ARG   A 1 164 ? -23.812 -15.688 -30.572 1.00 12.18 ? 170 ARG   B N   1 
ATOM   1396 C CA  . ARG   A 1 164 ? -24.031 -14.225 -30.583 1.00 11.52 ? 170 ARG   B CA  1 
ATOM   1397 C C   . ARG   A 1 164 ? -24.456 -13.740 -29.210 1.00 10.37 ? 170 ARG   B C   1 
ATOM   1398 O O   . ARG   A 1 164 ? -25.209 -14.415 -28.521 1.00 11.12 ? 170 ARG   B O   1 
ATOM   1399 C CB  . ARG   A 1 164 ? -25.074 -13.854 -31.636 1.00 12.89 ? 170 ARG   B CB  1 
ATOM   1400 C CG  . ARG   A 1 164 ? -24.553 -14.242 -33.020 1.00 14.89 ? 170 ARG   B CG  1 
ATOM   1401 C CD  . ARG   A 1 164 ? -25.429 -13.843 -34.149 1.00 18.42 ? 170 ARG   B CD  1 
ATOM   1402 N NE  . ARG   A 1 164 ? -25.497 -12.395 -34.225 1.00 16.41 ? 170 ARG   B NE  1 
ATOM   1403 C CZ  . ARG   A 1 164 ? -26.253 -11.753 -35.112 1.00 17.48 ? 170 ARG   B CZ  1 
ATOM   1404 N NH1 . ARG   A 1 164 ? -26.830 -12.456 -36.062 1.00 17.15 ? 170 ARG   B NH1 1 
ATOM   1405 N NH2 . ARG   A 1 164 ? -26.249 -10.427 -35.147 1.00 17.06 ? 170 ARG   B NH2 1 
ATOM   1406 N N   . PRO   A 1 165 ? -23.979 -12.558 -28.764 1.00 11.09 ? 171 PRO   B N   1 
ATOM   1407 C CA  . PRO   A 1 165 ? -24.535 -11.959 -27.547 1.00 10.99 ? 171 PRO   B CA  1 
ATOM   1408 C C   . PRO   A 1 165 ? -26.051 -11.821 -27.689 1.00 11.24 ? 171 PRO   B C   1 
ATOM   1409 O O   . PRO   A 1 165 ? -26.531 -11.446 -28.742 1.00 11.06 ? 171 PRO   B O   1 
ATOM   1410 C CB  . PRO   A 1 165 ? -23.865 -10.596 -27.447 1.00 11.00 ? 171 PRO   B CB  1 
ATOM   1411 C CG  . PRO   A 1 165 ? -22.573 -10.783 -28.247 1.00 11.72 ? 171 PRO   B CG  1 
ATOM   1412 C CD  . PRO   A 1 165 ? -22.985 -11.674 -29.403 1.00 12.30 ? 171 PRO   B CD  1 
ATOM   1413 N N   . PHE   A 1 166 ? -26.792 -12.076 -26.596 1.00 10.19 ? 172 PHE   B N   1 
ATOM   1414 C CA  . PHE   A 1 166 ? -28.266 -12.123 -26.577 1.00 10.23 ? 172 PHE   B CA  1 
ATOM   1415 C C   . PHE   A 1 166 ? -28.796 -11.152 -25.509 1.00 9.41  ? 172 PHE   B C   1 
ATOM   1416 O O   . PHE   A 1 166 ? -28.276 -11.115 -24.351 1.00 9.74  ? 172 PHE   B O   1 
ATOM   1417 C CB  . PHE   A 1 166 ? -28.739 -13.548 -26.323 1.00 10.16 ? 172 PHE   B CB  1 
ATOM   1418 C CG  . PHE   A 1 166 ? -30.237 -13.627 -26.144 1.00 10.68 ? 172 PHE   B CG  1 
ATOM   1419 C CD1 . PHE   A 1 166 ? -31.114 -13.593 -27.229 1.00 10.84 ? 172 PHE   B CD1 1 
ATOM   1420 C CD2 . PHE   A 1 166 ? -30.794 -13.630 -24.870 1.00 11.15 ? 172 PHE   B CD2 1 
ATOM   1421 C CE1 . PHE   A 1 166 ? -32.498 -13.615 -27.024 1.00 10.92 ? 172 PHE   B CE1 1 
ATOM   1422 C CE2 . PHE   A 1 166 ? -32.166 -13.669 -24.685 1.00 10.53 ? 172 PHE   B CE2 1 
ATOM   1423 C CZ  . PHE   A 1 166 ? -33.015 -13.685 -25.755 1.00 10.64 ? 172 PHE   B CZ  1 
ATOM   1424 N N   . PHE   A 1 167 ? -29.854 -10.410 -25.845 1.00 10.61 ? 173 PHE   B N   1 
ATOM   1425 C CA  . PHE   A 1 167 ? -30.454 -9.393  -24.952 1.00 10.55 ? 173 PHE   B CA  1 
ATOM   1426 C C   . PHE   A 1 167 ? -31.976 -9.457  -25.031 1.00 11.38 ? 173 PHE   B C   1 
ATOM   1427 O O   . PHE   A 1 167 ? -32.489 -9.543  -26.172 1.00 11.13 ? 173 PHE   B O   1 
ATOM   1428 C CB  . PHE   A 1 167 ? -30.000 -7.969  -25.316 1.00 10.79 ? 173 PHE   B CB  1 
ATOM   1429 C CG  . PHE   A 1 167 ? -28.496 -7.830  -25.415 1.00 11.03 ? 173 PHE   B CG  1 
ATOM   1430 C CD1 . PHE   A 1 167 ? -27.844 -8.154  -26.594 1.00 11.07 ? 173 PHE   B CD1 1 
ATOM   1431 C CD2 . PHE   A 1 167 ? -27.734 -7.387  -24.336 1.00 11.11 ? 173 PHE   B CD2 1 
ATOM   1432 C CE1 . PHE   A 1 167 ? -26.464 -8.079  -26.713 1.00 10.80 ? 173 PHE   B CE1 1 
ATOM   1433 C CE2 . PHE   A 1 167 ? -26.360 -7.247  -24.479 1.00 11.74 ? 173 PHE   B CE2 1 
ATOM   1434 C CZ  . PHE   A 1 167 ? -25.732 -7.615  -25.657 1.00 11.62 ? 173 PHE   B CZ  1 
ATOM   1435 N N   . ASN   A 1 168 ? -32.661 -9.265  -23.914 1.00 10.71 ? 174 ASN   B N   1 
ATOM   1436 C CA  . ASN   A 1 168 ? -34.113 -9.005  -23.888 1.00 10.56 ? 174 ASN   B CA  1 
ATOM   1437 C C   . ASN   A 1 168 ? -34.339 -7.871  -22.886 1.00 11.28 ? 174 ASN   B C   1 
ATOM   1438 O O   . ASN   A 1 168 ? -34.023 -8.063  -21.708 1.00 10.91 ? 174 ASN   B O   1 
ATOM   1439 C CB  . ASN   A 1 168 ? -34.917 -10.234 -23.483 1.00 10.73 ? 174 ASN   B CB  1 
ATOM   1440 C CG  . ASN   A 1 168 ? -36.416 -10.019 -23.529 1.00 11.90 ? 174 ASN   B CG  1 
ATOM   1441 O OD1 . ASN   A 1 168 ? -36.895 -8.968  -23.885 1.00 12.13 ? 174 ASN   B OD1 1 
ATOM   1442 N ND2 . ASN   A 1 168 ? -37.153 -11.085 -23.280 1.00 12.87 ? 174 ASN   B ND2 1 
ATOM   1443 N N   . VAL   A 1 169 ? -34.850 -6.716  -23.355 1.00 11.71 ? 175 VAL   B N   1 
ATOM   1444 C CA  . VAL   A 1 169 ? -35.087 -5.549  -22.452 1.00 11.57 ? 175 VAL   B CA  1 
ATOM   1445 C C   . VAL   A 1 169 ? -36.357 -5.776  -21.614 1.00 12.22 ? 175 VAL   B C   1 
ATOM   1446 O O   . VAL   A 1 169 ? -36.594 -4.996  -20.682 1.00 12.33 ? 175 VAL   B O   1 
ATOM   1447 C CB  . VAL   A 1 169 ? -35.159 -4.206  -23.218 1.00 12.55 ? 175 VAL   B CB  1 
ATOM   1448 C CG1 . VAL   A 1 169 ? -33.852 -3.902  -23.896 1.00 13.97 ? 175 VAL   B CG1 1 
ATOM   1449 C CG2 . VAL   A 1 169 ? -36.330 -4.161  -24.197 1.00 13.42 ? 175 VAL   B CG2 1 
ATOM   1450 N N   . GLY   A 1 170 ? -37.169 -6.786  -21.979 1.00 12.72 ? 176 GLY   B N   1 
ATOM   1451 C CA  . GLY   A 1 170 ? -38.441 -7.064  -21.282 1.00 12.84 ? 176 GLY   B CA  1 
ATOM   1452 C C   . GLY   A 1 170 ? -39.557 -6.150  -21.721 1.00 12.44 ? 176 GLY   B C   1 
ATOM   1453 O O   . GLY   A 1 170 ? -39.313 -5.079  -22.287 1.00 11.66 ? 176 GLY   B O   1 
ATOM   1454 N N   . PHE   A 1 171 ? -40.781 -6.578  -21.477 1.00 12.66 ? 177 PHE   B N   1 
ATOM   1455 C CA  . PHE   A 1 171 ? -41.979 -5.728  -21.683 1.00 12.44 ? 177 PHE   B CA  1 
ATOM   1456 C C   . PHE   A 1 171 ? -41.990 -4.643  -20.631 1.00 11.74 ? 177 PHE   B C   1 
ATOM   1457 O O   . PHE   A 1 171 ? -41.283 -4.710  -19.603 1.00 10.82 ? 177 PHE   B O   1 
ATOM   1458 C CB  . PHE   A 1 171 ? -43.255 -6.574  -21.726 1.00 12.73 ? 177 PHE   B CB  1 
ATOM   1459 C CG  . PHE   A 1 171 ? -43.350 -7.467  -22.941 1.00 14.74 ? 177 PHE   B CG  1 
ATOM   1460 C CD1 . PHE   A 1 171 ? -43.740 -6.938  -24.152 1.00 16.36 ? 177 PHE   B CD1 1 
ATOM   1461 C CD2 . PHE   A 1 171 ? -43.125 -8.835  -22.850 1.00 16.53 ? 177 PHE   B CD2 1 
ATOM   1462 C CE1 . PHE   A 1 171 ? -43.819 -7.742  -25.291 1.00 18.46 ? 177 PHE   B CE1 1 
ATOM   1463 C CE2 . PHE   A 1 171 ? -43.249 -9.638  -23.976 1.00 17.43 ? 177 PHE   B CE2 1 
ATOM   1464 C CZ  . PHE   A 1 171 ? -43.607 -9.086  -25.178 1.00 16.64 ? 177 PHE   B CZ  1 
ATOM   1465 N N   . ASN   A 1 172 ? -42.878 -3.696  -20.837 1.00 11.50 ? 178 ASN   B N   1 
ATOM   1466 C CA  . ASN   A 1 172 ? -43.097 -2.595  -19.866 1.00 11.10 ? 178 ASN   B CA  1 
ATOM   1467 C C   . ASN   A 1 172 ? -44.617 -2.426  -19.679 1.00 12.01 ? 178 ASN   B C   1 
ATOM   1468 O O   . ASN   A 1 172 ? -45.119 -1.277  -19.725 1.00 13.62 ? 178 ASN   B O   1 
ATOM   1469 C CB  . ASN   A 1 172 ? -42.429 -1.315  -20.334 1.00 11.90 ? 178 ASN   B CB  1 
ATOM   1470 C CG  . ASN   A 1 172 ? -42.462 -0.199  -19.314 1.00 11.86 ? 178 ASN   B CG  1 
ATOM   1471 O OD1 . ASN   A 1 172 ? -42.513 -0.451  -18.106 1.00 12.73 ? 178 ASN   B OD1 1 
ATOM   1472 N ND2 . ASN   A 1 172 ? -42.437 1.046   -19.800 1.00 14.56 ? 178 ASN   B ND2 1 
ATOM   1473 N N   . TYR   A 1 173 ? -45.287 -3.488  -19.329 1.00 12.15 ? 179 TYR   B N   1 
ATOM   1474 C CA  . TYR   A 1 173 ? -46.723 -3.410  -18.941 1.00 12.53 ? 179 TYR   B CA  1 
ATOM   1475 C C   . TYR   A 1 173 ? -46.874 -2.581  -17.664 1.00 12.81 ? 179 TYR   B C   1 
ATOM   1476 O O   . TYR   A 1 173 ? -47.968 -1.944  -17.484 1.00 13.77 ? 179 TYR   B O   1 
ATOM   1477 C CB  . TYR   A 1 173 ? -47.281 -4.815  -18.745 1.00 13.95 ? 179 TYR   B CB  1 
ATOM   1478 C CG  . TYR   A 1 173 ? -47.337 -5.668  -19.986 1.00 15.05 ? 179 TYR   B CG  1 
ATOM   1479 C CD1 . TYR   A 1 173 ? -48.287 -5.423  -20.954 1.00 19.87 ? 179 TYR   B CD1 1 
ATOM   1480 C CD2 . TYR   A 1 173 ? -46.494 -6.759  -20.129 1.00 19.18 ? 179 TYR   B CD2 1 
ATOM   1481 C CE1 . TYR   A 1 173 ? -48.349 -6.190  -22.116 1.00 22.41 ? 179 TYR   B CE1 1 
ATOM   1482 C CE2 . TYR   A 1 173 ? -46.546 -7.537  -21.285 1.00 20.71 ? 179 TYR   B CE2 1 
ATOM   1483 C CZ  . TYR   A 1 173 ? -47.469 -7.247  -22.272 1.00 22.25 ? 179 TYR   B CZ  1 
ATOM   1484 O OH  . TYR   A 1 173 ? -47.550 -8.044  -23.392 1.00 26.14 ? 179 TYR   B OH  1 
ATOM   1485 N N   . SER   A 1 174 ? -45.903 -2.596  -16.752 1.00 12.52 ? 180 SER   B N   1 
ATOM   1486 C CA  . SER   A 1 174 ? -46.033 -2.009  -15.386 1.00 12.26 ? 180 SER   B CA  1 
ATOM   1487 C C   . SER   A 1 174 ? -45.737 -0.506  -15.406 1.00 12.55 ? 180 SER   B C   1 
ATOM   1488 O O   . SER   A 1 174 ? -46.026 0.162   -14.372 1.00 14.54 ? 180 SER   B O   1 
ATOM   1489 C CB  . SER   A 1 174 ? -45.071 -2.653  -14.417 1.00 13.68 ? 180 SER   B CB  1 
ATOM   1490 O OG  . SER   A 1 174 ? -43.713 -2.373  -14.827 1.00 14.08 ? 180 SER   B OG  1 
ATOM   1491 N N   . GLY   A 1 175 ? -45.077 0.002   -16.439 1.00 12.34 ? 181 GLY   B N   1 
ATOM   1492 C CA  . GLY   A 1 175 ? -44.552 1.382   -16.386 1.00 12.43 ? 181 GLY   B CA  1 
ATOM   1493 C C   . GLY   A 1 175 ? -43.318 1.500   -15.543 1.00 13.38 ? 181 GLY   B C   1 
ATOM   1494 O O   . GLY   A 1 175 ? -42.855 2.633   -15.384 1.00 15.75 ? 181 GLY   B O   1 
ATOM   1495 N N   . GLY   A 1 176 ? -42.790 0.396   -14.999 1.00 13.34 ? 182 GLY   B N   1 
ATOM   1496 C CA  . GLY   A 1 176 ? -41.576 0.445   -14.165 1.00 13.08 ? 182 GLY   B CA  1 
ATOM   1497 C C   . GLY   A 1 176 ? -40.368 -0.197  -14.862 1.00 13.75 ? 182 GLY   B C   1 
ATOM   1498 O O   . GLY   A 1 176 ? -39.315 -0.294  -14.195 1.00 14.39 ? 182 GLY   B O   1 
ATOM   1499 N N   . ASN   A 1 177 ? -40.508 -0.617  -16.125 1.00 11.29 ? 183 ASN   B N   1 
ATOM   1500 C CA  . ASN   A 1 177 ? -39.409 -1.312  -16.826 1.00 11.81 ? 183 ASN   B CA  1 
ATOM   1501 C C   . ASN   A 1 177 ? -38.943 -0.597  -18.111 1.00 12.37 ? 183 ASN   B C   1 
ATOM   1502 O O   . ASN   A 1 177 ? -38.431 -1.283  -18.991 1.00 13.35 ? 183 ASN   B O   1 
ATOM   1503 C CB  . ASN   A 1 177 ? -39.776 -2.767  -17.137 1.00 11.71 ? 183 ASN   B CB  1 
ATOM   1504 C CG  . ASN   A 1 177 ? -38.543 -3.595  -17.437 1.00 11.66 ? 183 ASN   B CG  1 
ATOM   1505 O OD1 . ASN   A 1 177 ? -37.523 -3.412  -16.785 1.00 11.57 ? 183 ASN   B OD1 1 
ATOM   1506 N ND2 . ASN   A 1 177 ? -38.686 -4.510  -18.379 1.00 12.13 ? 183 ASN   B ND2 1 
ATOM   1507 N N   . ALA   A 1 178 ? -39.015 0.733   -18.188 1.00 13.72 ? 184 ALA   B N   1 
ATOM   1508 C CA  . ALA   A 1 178 ? -38.619 1.468   -19.405 1.00 14.44 ? 184 ALA   B CA  1 
ATOM   1509 C C   . ALA   A 1 178 ? -37.103 1.571   -19.538 1.00 13.95 ? 184 ALA   B C   1 
ATOM   1510 O O   . ALA   A 1 178 ? -36.662 1.848   -20.655 1.00 15.58 ? 184 ALA   B O   1 
ATOM   1511 C CB  . ALA   A 1 178 ? -39.223 2.865   -19.389 1.00 14.39 ? 184 ALA   B CB  1 
ATOM   1512 N N   . ALA   A 1 179 ? -36.352 1.389   -18.453 1.00 14.85 ? 185 ALA   B N   1 
ATOM   1513 C CA  . ALA   A 1 179 ? -34.907 1.718   -18.477 1.00 13.85 ? 185 ALA   B CA  1 
ATOM   1514 C C   . ALA   A 1 179 ? -34.197 0.828   -19.502 1.00 13.78 ? 185 ALA   B C   1 
ATOM   1515 O O   . ALA   A 1 179 ? -34.593 -0.321  -19.749 1.00 12.98 ? 185 ALA   B O   1 
ATOM   1516 C CB  . ALA   A 1 179 ? -34.302 1.527   -17.122 1.00 14.16 ? 185 ALA   B CB  1 
ATOM   1517 N N   . PRO   A 1 180 ? -33.115 1.336   -20.127 1.00 12.80 ? 186 PRO   B N   1 
ATOM   1518 C CA  . PRO   A 1 180 ? -32.373 0.587   -21.147 1.00 12.50 ? 186 PRO   B CA  1 
ATOM   1519 C C   . PRO   A 1 180 ? -31.456 -0.504  -20.547 1.00 12.04 ? 186 PRO   B C   1 
ATOM   1520 O O   . PRO   A 1 180 ? -31.133 -0.439  -19.371 1.00 12.50 ? 186 PRO   B O   1 
ATOM   1521 C CB  . PRO   A 1 180 ? -31.499 1.677   -21.794 1.00 14.22 ? 186 PRO   B CB  1 
ATOM   1522 C CG  . PRO   A 1 180 ? -31.271 2.669   -20.685 1.00 14.83 ? 186 PRO   B CG  1 
ATOM   1523 C CD  . PRO   A 1 180 ? -32.573 2.691   -19.900 1.00 14.37 ? 186 PRO   B CD  1 
ATOM   1524 N N   . LEU   A 1 181 ? -31.049 -1.458  -21.386 1.00 12.87 ? 187 LEU   B N   1 
ATOM   1525 C CA  . LEU   A 1 181 ? -29.808 -2.247  -21.247 1.00 11.58 ? 187 LEU   B CA  1 
ATOM   1526 C C   . LEU   A 1 181 ? -28.672 -1.423  -21.881 1.00 12.89 ? 187 LEU   B C   1 
ATOM   1527 O O   . LEU   A 1 181 ? -28.849 -0.909  -23.000 1.00 13.47 ? 187 LEU   B O   1 
ATOM   1528 C CB  . LEU   A 1 181 ? -29.986 -3.600  -21.930 1.00 12.08 ? 187 LEU   B CB  1 
ATOM   1529 C CG  . LEU   A 1 181 ? -31.037 -4.539  -21.316 1.00 13.52 ? 187 LEU   B CG  1 
ATOM   1530 C CD1 . LEU   A 1 181 ? -31.143 -5.845  -22.098 1.00 14.74 ? 187 LEU   B CD1 1 
ATOM   1531 C CD2 . LEU   A 1 181 ? -30.687 -4.830  -19.866 1.00 14.95 ? 187 LEU   B CD2 1 
ATOM   1532 N N   . LYS   A 1 182 ? -27.515 -1.364  -21.230 1.00 12.88 ? 188 LYS   B N   1 
ATOM   1533 C CA  . LYS   A 1 182 ? -26.362 -0.625  -21.788 1.00 13.22 ? 188 LYS   B CA  1 
ATOM   1534 C C   . LYS   A 1 182 ? -25.135 -1.501  -21.729 1.00 13.37 ? 188 LYS   B C   1 
ATOM   1535 O O   . LYS   A 1 182 ? -24.840 -2.003  -20.615 1.00 13.52 ? 188 LYS   B O   1 
ATOM   1536 C CB  . LYS   A 1 182 ? -26.092 0.656   -21.003 1.00 15.64 ? 188 LYS   B CB  1 
ATOM   1537 C CG  . LYS   A 1 182 ? -27.267 1.586   -20.796 1.00 18.53 ? 188 LYS   B CG  1 
ATOM   1538 C CD  . LYS   A 1 182 ? -26.811 2.904   -20.188 1.00 22.26 ? 188 LYS   B CD  1 
ATOM   1539 C CE  . LYS   A 1 182 ? -27.944 3.783   -19.717 1.00 25.90 ? 188 LYS   B CE  1 
ATOM   1540 N NZ  . LYS   A 1 182 ? -27.431 4.896   -18.873 1.00 29.37 ? 188 LYS   B NZ  1 
ATOM   1541 N N   . LEU   A 1 183 ? -24.414 -1.567  -22.827 1.00 13.79 ? 189 LEU   B N   1 
ATOM   1542 C CA  . LEU   A 1 183 ? -23.061 -2.199  -22.842 1.00 13.57 ? 189 LEU   B CA  1 
ATOM   1543 C C   . LEU   A 1 183 ? -22.089 -1.250  -22.149 1.00 15.49 ? 189 LEU   B C   1 
ATOM   1544 O O   . LEU   A 1 183 ? -21.918 -0.113  -22.642 1.00 19.09 ? 189 LEU   B O   1 
ATOM   1545 C CB  . LEU   A 1 183 ? -22.670 -2.581  -24.269 1.00 14.41 ? 189 LEU   B CB  1 
ATOM   1546 C CG  . LEU   A 1 183 ? -23.438 -3.818  -24.732 1.00 15.50 ? 189 LEU   B CG  1 
ATOM   1547 C CD1 . LEU   A 1 183 ? -23.626 -3.898  -26.234 1.00 19.93 ? 189 LEU   B CD1 1 
ATOM   1548 C CD2 . LEU   A 1 183 ? -22.815 -5.093  -24.157 1.00 14.43 ? 189 LEU   B CD2 1 
ATOM   1549 N N   . CYS   A 1 184 ? -21.484 -1.703  -21.056 1.00 16.54 ? 190 CYS   B N   1 
ATOM   1550 C CA  . CYS   A 1 184 ? -20.548 -0.883  -20.213 1.00 18.49 ? 190 CYS   B CA  1 
ATOM   1551 C C   . CYS   A 1 184 ? -19.186 -0.789  -20.860 1.00 21.27 ? 190 CYS   B C   1 
ATOM   1552 O O   . CYS   A 1 184 ? -18.708 -1.722  -21.461 1.00 21.40 ? 190 CYS   B O   1 
ATOM   1553 C CB  . CYS   A 1 184 ? -20.239 -1.552  -18.888 1.00 20.31 ? 190 CYS   B CB  1 
ATOM   1554 S SG  . CYS   A 1 184 ? -21.699 -2.070  -17.986 1.00 21.77 ? 190 CYS   B SG  1 
ATOM   1555 N N   . PRO   A 1 185 ? -18.509 0.366   -20.729 1.00 24.72 ? 191 PRO   B N   1 
ATOM   1556 C CA  . PRO   A 1 185 ? -17.180 0.527   -21.278 1.00 29.63 ? 191 PRO   B CA  1 
ATOM   1557 C C   . PRO   A 1 185 ? -16.189 -0.421  -20.603 1.00 28.74 ? 191 PRO   B C   1 
ATOM   1558 O O   . PRO   A 1 185 ? -16.351 -0.724  -19.431 1.00 28.07 ? 191 PRO   B O   1 
ATOM   1559 C CB  . PRO   A 1 185 ? -16.872 2.018   -21.018 1.00 30.09 ? 191 PRO   B CB  1 
ATOM   1560 C CG  . PRO   A 1 185 ? -17.793 2.419   -19.905 1.00 29.20 ? 191 PRO   B CG  1 
ATOM   1561 C CD  . PRO   A 1 185 ? -19.037 1.590   -20.112 1.00 27.32 ? 191 PRO   B CD  1 
ATOM   1562 N N   . LEU   A 1 186 ? -15.233 -0.855  -21.417 1.00 34.68 ? 192 LEU   B N   1 
ATOM   1563 C CA  . LEU   A 1 186 ? -13.980 -1.585  -21.103 1.00 39.18 ? 192 LEU   B CA  1 
ATOM   1564 C C   . LEU   A 1 186 ? -13.027 -0.657  -20.352 1.00 41.90 ? 192 LEU   B C   1 
ATOM   1565 O O   . LEU   A 1 186 ? -12.426 -1.161  -19.402 1.00 50.06 ? 192 LEU   B O   1 
ATOM   1566 C CB  . LEU   A 1 186 ? -13.360 -2.033  -22.432 1.00 40.15 ? 192 LEU   B CB  1 
HETATM 1567 C C1  . EDO   B 2 .   ? -45.634 -3.376  -23.040 1.00 29.93 ? 201 EDO   B C1  1 
HETATM 1568 O O1  . EDO   B 2 .   ? -44.255 -3.216  -23.262 1.00 21.72 ? 201 EDO   B O1  1 
HETATM 1569 C C2  . EDO   B 2 .   ? -46.403 -4.139  -24.068 1.00 35.91 ? 201 EDO   B C2  1 
HETATM 1570 O O2  . EDO   B 2 .   ? -46.326 -3.581  -25.360 1.00 43.53 ? 201 EDO   B O2  1 
HETATM 1571 N N1  . A1BFJ C 3 .   ? -39.023 -19.279 -19.496 0.69 27.47 ? 202 A1BFJ B N1  1 
HETATM 1572 C C4  . A1BFJ C 3 .   ? -37.651 -15.976 -20.123 0.69 24.89 ? 202 A1BFJ B C4  1 
HETATM 1573 C C5  . A1BFJ C 3 .   ? -38.316 -14.535 -18.299 0.69 23.82 ? 202 A1BFJ B C5  1 
HETATM 1574 C C6  . A1BFJ C 3 .   ? -39.399 -15.527 -17.944 0.69 25.66 ? 202 A1BFJ B C6  1 
HETATM 1575 C C1  . A1BFJ C 3 .   ? -38.682 -20.670 -19.700 0.69 27.83 ? 202 A1BFJ B C1  1 
HETATM 1576 C C2  . A1BFJ C 3 .   ? -38.637 -18.301 -20.324 0.69 26.74 ? 202 A1BFJ B C2  1 
HETATM 1577 C C3  . A1BFJ C 3 .   ? -38.842 -16.877 -19.855 0.69 25.51 ? 202 A1BFJ B C3  1 
HETATM 1578 N N2  . A1BFJ C 3 .   ? -37.974 -14.597 -19.724 0.69 26.34 ? 202 A1BFJ B N2  1 
HETATM 1579 O O1  . A1BFJ C 3 .   ? -38.165 -18.563 -21.438 0.69 21.59 ? 202 A1BFJ B O1  1 
HETATM 1580 O O2  . A1BFJ C 3 .   ? -39.136 -16.845 -18.451 0.69 24.50 ? 202 A1BFJ B O2  1 
HETATM 1581 C C1  . EDO   D 2 .   ? -50.440 -16.967 -33.256 1.00 43.35 ? 203 EDO   B C1  1 
HETATM 1582 O O1  . EDO   D 2 .   ? -49.137 -16.470 -33.054 1.00 35.65 ? 203 EDO   B O1  1 
HETATM 1583 C C2  . EDO   D 2 .   ? -51.139 -17.236 -31.989 1.00 40.51 ? 203 EDO   B C2  1 
HETATM 1584 O O2  . EDO   D 2 .   ? -51.283 -16.068 -31.225 1.00 46.54 ? 203 EDO   B O2  1 
HETATM 1585 S S   . SO4   E 4 .   ? -40.475 -24.522 -26.246 1.00 38.41 ? 204 SO4   B S   1 
HETATM 1586 O O1  . SO4   E 4 .   ? -39.818 -23.513 -27.019 1.00 25.12 ? 204 SO4   B O1  1 
HETATM 1587 O O2  . SO4   E 4 .   ? -41.341 -25.283 -27.090 1.00 39.41 ? 204 SO4   B O2  1 
HETATM 1588 O O3  . SO4   E 4 .   ? -39.458 -25.401 -25.674 1.00 40.66 ? 204 SO4   B O3  1 
HETATM 1589 O O4  . SO4   E 4 .   ? -41.261 -23.938 -25.182 1.00 38.45 ? 204 SO4   B O4  1 
HETATM 1590 O O   . HOH   F 5 .   ? -33.784 4.919   -16.786 1.00 39.33 ? 301 HOH   B O   1 
HETATM 1591 O O   . HOH   F 5 .   ? -22.773 -1.819  -9.779  1.00 27.00 ? 302 HOH   B O   1 
HETATM 1592 O O   . HOH   F 5 .   ? -26.934 -28.532 -27.887 1.00 24.23 ? 303 HOH   B O   1 
HETATM 1593 O O   . HOH   F 5 .   ? -13.480 -23.562 -31.607 1.00 15.38 ? 304 HOH   B O   1 
HETATM 1594 O O   . HOH   F 5 .   ? -45.741 3.663   -34.219 1.00 20.04 ? 305 HOH   B O   1 
HETATM 1595 O O   . HOH   F 5 .   ? -47.146 -16.940 -31.673 1.00 22.08 ? 306 HOH   B O   1 
HETATM 1596 O O   . HOH   F 5 .   ? -40.162 -1.197  -9.873  1.00 30.78 ? 307 HOH   B O   1 
HETATM 1597 O O   . HOH   F 5 .   ? -32.902 1.109   -33.560 1.00 22.32 ? 308 HOH   B O   1 
HETATM 1598 O O   . HOH   F 5 .   ? -38.729 -15.387 -11.741 1.00 30.70 ? 309 HOH   B O   1 
HETATM 1599 O O   . HOH   F 5 .   ? -15.640 -5.282  -13.813 1.00 33.38 ? 310 HOH   B O   1 
HETATM 1600 O O   . HOH   F 5 .   ? -38.592 0.604   -11.927 1.00 35.11 ? 311 HOH   B O   1 
HETATM 1601 O O   . HOH   F 5 .   ? -29.621 -12.472 -37.775 1.00 23.80 ? 312 HOH   B O   1 
HETATM 1602 O O   . HOH   F 5 .   ? -41.199 -8.162  -3.444  1.00 46.07 ? 313 HOH   B O   1 
HETATM 1603 O O   . HOH   F 5 .   ? -18.752 -22.011 -35.782 1.00 16.18 ? 314 HOH   B O   1 
HETATM 1604 O O   . HOH   F 5 .   ? -45.139 7.503   -24.560 1.00 39.82 ? 315 HOH   B O   1 
HETATM 1605 O O   . HOH   F 5 .   ? -36.871 -16.244 -39.484 1.00 26.15 ? 316 HOH   B O   1 
HETATM 1606 O O   . HOH   F 5 .   ? -24.421 -31.045 -22.063 1.00 35.74 ? 317 HOH   B O   1 
HETATM 1607 O O   . HOH   F 5 .   ? -45.492 0.086   -11.831 1.00 23.04 ? 318 HOH   B O   1 
HETATM 1608 O O   . HOH   F 5 .   ? -12.752 -21.266 -18.749 1.00 28.90 ? 319 HOH   B O   1 
HETATM 1609 O O   . HOH   F 5 .   ? -38.354 -14.338 -22.290 1.00 45.47 ? 320 HOH   B O   1 
HETATM 1610 O O   . HOH   F 5 .   ? -38.079 2.745   -22.695 1.00 21.87 ? 321 HOH   B O   1 
HETATM 1611 O O   . HOH   F 5 .   ? -26.331 3.371   -35.259 1.00 32.46 ? 322 HOH   B O   1 
HETATM 1612 O O   . HOH   F 5 .   ? -9.014  -13.488 -25.194 1.00 37.97 ? 323 HOH   B O   1 
HETATM 1613 O O   . HOH   F 5 .   ? -26.048 -22.680 -35.966 1.00 28.43 ? 324 HOH   B O   1 
HETATM 1614 O O   . HOH   F 5 .   ? -45.051 -12.332 -26.524 1.00 35.79 ? 325 HOH   B O   1 
HETATM 1615 O O   . HOH   F 5 .   ? -35.845 -19.120 -30.477 1.00 29.16 ? 326 HOH   B O   1 
HETATM 1616 O O   . HOH   F 5 .   ? -35.867 -22.563 -19.561 1.00 22.82 ? 327 HOH   B O   1 
HETATM 1617 O O   . HOH   F 5 .   ? -19.509 -29.776 -15.629 1.00 26.34 ? 328 HOH   B O   1 
HETATM 1618 O O   . HOH   F 5 .   ? -17.626 -21.345 -12.477 1.00 17.87 ? 329 HOH   B O   1 
HETATM 1619 O O   . HOH   F 5 .   ? -30.243 -23.847 -34.161 1.00 23.87 ? 330 HOH   B O   1 
HETATM 1620 O O   . HOH   F 5 .   ? -37.370 -25.476 -11.506 1.00 38.15 ? 331 HOH   B O   1 
HETATM 1621 O O   . HOH   F 5 .   ? -13.639 -20.930 -35.237 1.00 32.01 ? 332 HOH   B O   1 
HETATM 1622 O O   . HOH   F 5 .   ? -30.858 -6.695  -11.309 1.00 15.28 ? 333 HOH   B O   1 
HETATM 1623 O O   . HOH   F 5 .   ? -32.939 -18.133 -37.216 1.00 31.53 ? 334 HOH   B O   1 
HETATM 1624 O O   . HOH   F 5 .   ? -9.672  -20.859 -28.819 1.00 43.15 ? 335 HOH   B O   1 
HETATM 1625 O O   . HOH   F 5 .   ? -19.953 1.849   -30.698 1.00 32.15 ? 336 HOH   B O   1 
HETATM 1626 O O   . HOH   F 5 .   ? -36.558 -22.887 -30.787 1.00 34.76 ? 337 HOH   B O   1 
HETATM 1627 O O   . HOH   F 5 .   ? -32.290 4.674   -33.045 1.00 24.52 ? 338 HOH   B O   1 
HETATM 1628 O O   . HOH   F 5 .   ? -11.045 -21.099 -25.171 1.00 32.62 ? 339 HOH   B O   1 
HETATM 1629 O O   . HOH   F 5 .   ? -16.193 -19.560 -15.690 1.00 22.81 ? 340 HOH   B O   1 
HETATM 1630 O O   . HOH   F 5 .   ? -30.739 1.131   -16.986 1.00 25.95 ? 341 HOH   B O   1 
HETATM 1631 O O   . HOH   F 5 .   ? -9.646  -18.563 -30.178 1.00 50.59 ? 342 HOH   B O   1 
HETATM 1632 O O   . HOH   F 5 .   ? -36.881 -25.889 -23.780 1.00 33.01 ? 343 HOH   B O   1 
HETATM 1633 O O   . HOH   F 5 .   ? -47.246 1.297   -25.651 1.00 31.90 ? 344 HOH   B O   1 
HETATM 1634 O O   . HOH   F 5 .   ? -49.774 -1.637  -19.474 1.00 27.33 ? 345 HOH   B O   1 
HETATM 1635 O O   . HOH   F 5 .   ? -19.491 -4.309  -22.055 1.00 16.00 ? 346 HOH   B O   1 
HETATM 1636 O O   . HOH   F 5 .   ? -41.870 1.553   -22.530 1.00 32.33 ? 347 HOH   B O   1 
HETATM 1637 O O   . HOH   F 5 .   ? -36.329 5.534   -15.855 1.00 27.13 ? 348 HOH   B O   1 
HETATM 1638 O O   . HOH   F 5 .   ? -38.500 3.873   -42.134 1.00 28.39 ? 349 HOH   B O   1 
HETATM 1639 O O   . HOH   F 5 .   ? -38.798 -2.496  -21.395 1.00 16.67 ? 350 HOH   B O   1 
HETATM 1640 O O   . HOH   F 5 .   ? -17.571 -27.666 -19.669 1.00 18.06 ? 351 HOH   B O   1 
HETATM 1641 O O   . HOH   F 5 .   ? -40.998 -9.400  -36.809 1.00 29.80 ? 352 HOH   B O   1 
HETATM 1642 O O   . HOH   F 5 .   ? -25.708 -14.241 -3.183  1.00 32.29 ? 353 HOH   B O   1 
HETATM 1643 O O   . HOH   F 5 .   ? -23.251 4.367   -24.710 1.00 26.06 ? 354 HOH   B O   1 
HETATM 1644 O O   . HOH   F 5 .   ? -33.856 -21.821 -36.679 1.00 36.67 ? 355 HOH   B O   1 
HETATM 1645 O O   . HOH   F 5 .   ? -26.623 1.943   -11.044 1.00 26.27 ? 356 HOH   B O   1 
HETATM 1646 O O   . HOH   F 5 .   ? -23.160 2.306   -23.054 1.00 29.36 ? 357 HOH   B O   1 
HETATM 1647 O O   . HOH   F 5 .   ? -30.832 -20.368 -21.365 1.00 11.41 ? 358 HOH   B O   1 
HETATM 1648 O O   . HOH   F 5 .   ? -26.514 -25.812 -16.368 1.00 16.43 ? 359 HOH   B O   1 
HETATM 1649 O O   . HOH   F 5 .   ? -38.655 -7.721  -10.768 1.00 16.50 ? 360 HOH   B O   1 
HETATM 1650 O O   . HOH   F 5 .   ? -40.325 -14.339 -31.420 1.00 14.27 ? 361 HOH   B O   1 
HETATM 1651 O O   . HOH   F 5 .   ? -16.747 -5.695  -9.425  1.00 34.69 ? 362 HOH   B O   1 
HETATM 1652 O O   . HOH   F 5 .   ? -15.063 -19.741 -37.536 1.00 25.06 ? 363 HOH   B O   1 
HETATM 1653 O O   . HOH   F 5 .   ? -27.214 -20.343 -6.968  1.00 16.72 ? 364 HOH   B O   1 
HETATM 1654 O O   . HOH   F 5 .   ? -18.548 -4.578  -24.694 1.00 18.23 ? 365 HOH   B O   1 
HETATM 1655 O O   . HOH   F 5 .   ? -41.116 -6.002  -38.111 1.00 29.09 ? 366 HOH   B O   1 
HETATM 1656 O O   . HOH   F 5 .   ? -34.164 -22.021 -31.466 1.00 18.92 ? 367 HOH   B O   1 
HETATM 1657 O O   . HOH   F 5 .   ? -18.020 -19.836 -37.516 1.00 26.20 ? 368 HOH   B O   1 
HETATM 1658 O O   . HOH   F 5 .   ? -36.258 -1.815  -33.866 1.00 19.33 ? 369 HOH   B O   1 
HETATM 1659 O O   . HOH   F 5 .   ? -35.577 -4.613  -42.188 1.00 23.53 ? 370 HOH   B O   1 
HETATM 1660 O O   . HOH   F 5 .   ? -10.428 -23.582 -21.881 1.00 30.37 ? 371 HOH   B O   1 
HETATM 1661 O O   . HOH   F 5 .   ? -17.866 -4.448  -5.670  1.00 45.79 ? 372 HOH   B O   1 
HETATM 1662 O O   . HOH   F 5 .   ? -42.259 -3.927  -39.483 1.00 20.23 ? 373 HOH   B O   1 
HETATM 1663 O O   . HOH   F 5 .   ? -28.448 -21.621 -8.916  1.00 19.37 ? 374 HOH   B O   1 
HETATM 1664 O O   . HOH   F 5 .   ? -36.527 -0.955  -22.122 1.00 13.17 ? 375 HOH   B O   1 
HETATM 1665 O O   . HOH   F 5 .   ? -42.608 -5.809  -12.280 1.00 22.54 ? 376 HOH   B O   1 
HETATM 1666 O O   . HOH   F 5 .   ? -40.808 -14.619 -8.520  1.00 28.52 ? 377 HOH   B O   1 
HETATM 1667 O O   . HOH   F 5 .   ? -26.746 -17.623 -7.733  1.00 16.37 ? 378 HOH   B O   1 
HETATM 1668 O O   . HOH   F 5 .   ? -24.045 1.174   -10.702 1.00 31.27 ? 379 HOH   B O   1 
HETATM 1669 O O   . HOH   F 5 .   ? -32.397 -5.033  -12.928 1.00 14.97 ? 380 HOH   B O   1 
HETATM 1670 O O   . HOH   F 5 .   ? -20.906 -16.420 -5.511  1.00 16.47 ? 381 HOH   B O   1 
HETATM 1671 O O   . HOH   F 5 .   ? -24.057 -12.387 -6.592  1.00 18.98 ? 382 HOH   B O   1 
HETATM 1672 O O   . HOH   F 5 .   ? -43.806 -0.592  -24.328 1.00 30.83 ? 383 HOH   B O   1 
HETATM 1673 O O   . HOH   F 5 .   ? -31.537 3.404   -26.909 1.00 21.70 ? 384 HOH   B O   1 
HETATM 1674 O O   . HOH   F 5 .   ? -33.489 -1.860  -38.410 1.00 24.75 ? 385 HOH   B O   1 
HETATM 1675 O O   . HOH   F 5 .   ? -33.474 -14.960 -7.005  1.00 22.01 ? 386 HOH   B O   1 
HETATM 1676 O O   . HOH   F 5 .   ? -37.051 0.885   -15.524 1.00 17.16 ? 387 HOH   B O   1 
HETATM 1677 O O   . HOH   F 5 .   ? -25.792 -26.980 -23.947 1.00 16.40 ? 388 HOH   B O   1 
HETATM 1678 O O   . HOH   F 5 .   ? -25.367 -10.485 -23.580 1.00 13.12 ? 389 HOH   B O   1 
HETATM 1679 O O   . HOH   F 5 .   ? -27.771 -27.550 -25.732 1.00 33.53 ? 390 HOH   B O   1 
HETATM 1680 O O   . HOH   F 5 .   ? -31.002 4.062   -24.370 1.00 23.92 ? 391 HOH   B O   1 
HETATM 1681 O O   . HOH   F 5 .   ? -45.768 -19.605 -31.590 1.00 26.56 ? 392 HOH   B O   1 
HETATM 1682 O O   . HOH   F 5 .   ? -41.362 -8.538  -13.372 1.00 23.38 ? 393 HOH   B O   1 
HETATM 1683 O O   . HOH   F 5 .   ? -45.945 -4.305  -33.962 1.00 19.94 ? 394 HOH   B O   1 
HETATM 1684 O O   . HOH   F 5 .   ? -23.965 -26.739 -15.969 1.00 21.30 ? 395 HOH   B O   1 
HETATM 1685 O O   . HOH   F 5 .   ? -24.849 -15.041 -6.813  1.00 16.22 ? 396 HOH   B O   1 
HETATM 1686 O O   . HOH   F 5 .   ? -14.468 -16.572 -33.117 1.00 27.67 ? 397 HOH   B O   1 
HETATM 1687 O O   . HOH   F 5 .   ? -9.468  -15.866 -26.604 1.00 28.22 ? 398 HOH   B O   1 
HETATM 1688 O O   . HOH   F 5 .   ? -12.717 -18.445 -34.839 1.00 36.99 ? 399 HOH   B O   1 
HETATM 1689 O O   . HOH   F 5 .   ? -19.178 -29.195 -23.457 1.00 28.92 ? 400 HOH   B O   1 
HETATM 1690 O O   . HOH   F 5 .   ? -17.966 -11.214 -35.597 1.00 27.32 ? 401 HOH   B O   1 
HETATM 1691 O O   . HOH   F 5 .   ? -43.305 3.689   -18.823 1.00 21.59 ? 402 HOH   B O   1 
HETATM 1692 O O   . HOH   F 5 .   ? -24.895 -11.136 -4.163  1.00 24.88 ? 403 HOH   B O   1 
HETATM 1693 O O   . HOH   F 5 .   ? -45.654 -14.765 -27.455 1.00 38.98 ? 404 HOH   B O   1 
HETATM 1694 O O   . HOH   F 5 .   ? -28.825 7.854   -30.117 1.00 32.72 ? 405 HOH   B O   1 
HETATM 1695 O O   . HOH   F 5 .   ? -39.993 -11.580 -22.573 1.00 29.42 ? 406 HOH   B O   1 
HETATM 1696 O O   . HOH   F 5 .   ? -25.204 6.908   -29.061 1.00 29.15 ? 407 HOH   B O   1 
HETATM 1697 O O   . HOH   F 5 .   ? -18.348 -17.281 -36.337 1.00 26.80 ? 408 HOH   B O   1 
HETATM 1698 O O   . HOH   F 5 .   ? -34.885 -9.140  -6.095  1.00 41.31 ? 409 HOH   B O   1 
HETATM 1699 O O   . HOH   F 5 .   ? -18.050 -16.062 -6.140  1.00 22.47 ? 410 HOH   B O   1 
HETATM 1700 O O   . HOH   F 5 .   ? -40.341 -7.440  -34.727 1.00 21.54 ? 411 HOH   B O   1 
HETATM 1701 O O   . HOH   F 5 .   ? -39.947 2.723   -16.082 1.00 15.85 ? 412 HOH   B O   1 
HETATM 1702 O O   . HOH   F 5 .   ? -41.705 -9.672  -43.836 1.00 31.39 ? 413 HOH   B O   1 
HETATM 1703 O O   . HOH   F 5 .   ? -15.982 -12.116 -5.616  1.00 44.77 ? 414 HOH   B O   1 
HETATM 1704 O O   . HOH   F 5 .   ? -40.813 6.374   -33.175 1.00 32.61 ? 415 HOH   B O   1 
HETATM 1705 O O   . HOH   F 5 .   ? -41.110 -8.789  -19.432 1.00 17.15 ? 416 HOH   B O   1 
HETATM 1706 O O   . HOH   F 5 .   ? -42.451 -5.070  -43.785 1.00 22.77 ? 417 HOH   B O   1 
HETATM 1707 O O   . HOH   F 5 .   ? -34.341 -7.230  -7.964  1.00 27.45 ? 418 HOH   B O   1 
HETATM 1708 O O   . HOH   F 5 .   ? -36.345 -0.045  -41.891 1.00 36.91 ? 419 HOH   B O   1 
HETATM 1709 O O   . HOH   F 5 .   ? -41.331 5.420   -28.554 1.00 27.94 ? 420 HOH   B O   1 
HETATM 1710 O O   . HOH   F 5 .   ? -16.110 -14.779 -8.648  1.00 32.56 ? 421 HOH   B O   1 
HETATM 1711 O O   . HOH   F 5 .   ? -39.204 -16.610 -23.585 0.69 23.92 ? 422 HOH   B O   1 
HETATM 1712 O O   . HOH   F 5 .   ? -13.207 -6.341  -29.260 1.00 32.66 ? 423 HOH   B O   1 
HETATM 1713 O O   . HOH   F 5 .   ? -38.827 4.009   -13.758 1.00 34.70 ? 424 HOH   B O   1 
HETATM 1714 O O   . HOH   F 5 .   ? -52.434 -14.264 -28.940 1.00 48.99 ? 425 HOH   B O   1 
HETATM 1715 O O   . HOH   F 5 .   ? -19.985 2.378   -24.008 1.00 37.17 ? 426 HOH   B O   1 
HETATM 1716 O O   . HOH   F 5 .   ? -24.387 -4.270  -36.897 1.00 38.39 ? 427 HOH   B O   1 
HETATM 1717 O O   . HOH   F 5 .   ? -30.768 -17.416 -42.725 1.00 33.91 ? 428 HOH   B O   1 
HETATM 1718 O O   . HOH   F 5 .   ? -16.119 -7.355  -11.333 1.00 36.03 ? 429 HOH   B O   1 
HETATM 1719 O O   . HOH   F 5 .   ? -47.750 0.000   -32.873 0.50 23.24 ? 430 HOH   B O   1 
HETATM 1720 O O   . HOH   F 5 .   ? -32.736 -23.647 -33.445 1.00 31.39 ? 431 HOH   B O   1 
HETATM 1721 O O   . HOH   F 5 .   ? -36.692 -6.589  -8.920  1.00 28.07 ? 432 HOH   B O   1 
HETATM 1722 O O   . HOH   F 5 .   ? -21.748 6.874   -32.334 1.00 29.88 ? 433 HOH   B O   1 
HETATM 1723 O O   . HOH   F 5 .   ? -8.476  -23.111 -30.354 1.00 28.42 ? 434 HOH   B O   1 
HETATM 1724 O O   . HOH   F 5 .   ? -26.284 -28.182 -21.450 1.00 40.27 ? 435 HOH   B O   1 
HETATM 1725 O O   . HOH   F 5 .   ? -35.612 -2.023  -9.513  1.00 48.86 ? 436 HOH   B O   1 
HETATM 1726 O O   . HOH   F 5 .   ? -40.230 5.107   -22.025 1.00 30.42 ? 437 HOH   B O   1 
HETATM 1727 O O   . HOH   F 5 .   ? -22.874 3.356   -20.623 1.00 40.21 ? 438 HOH   B O   1 
HETATM 1728 O O   . HOH   F 5 .   ? -38.726 -16.508 -40.943 1.00 37.16 ? 439 HOH   B O   1 
HETATM 1729 O O   . HOH   F 5 .   ? -36.610 2.212   -43.137 1.00 38.23 ? 440 HOH   B O   1 
HETATM 1730 O O   . HOH   F 5 .   ? -15.983 -22.275 -14.559 1.00 29.36 ? 441 HOH   B O   1 
HETATM 1731 O O   . HOH   F 5 .   ? -15.870 -26.912 -17.252 1.00 35.12 ? 442 HOH   B O   1 
HETATM 1732 O O   . HOH   F 5 .   ? -28.356 -27.846 -16.854 1.00 22.57 ? 443 HOH   B O   1 
HETATM 1733 O O   . HOH   F 5 .   ? -26.291 -31.240 -23.980 1.00 28.39 ? 444 HOH   B O   1 
HETATM 1734 O O   . HOH   F 5 .   ? -42.285 -13.007 -22.335 1.00 35.40 ? 445 HOH   B O   1 
# 
