data_7HM0
# 
_entry.id   7HM0 
# 
_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   7HM0         pdb_00007hm0 10.2210/pdb7hm0/pdb 
WWPDB D_1001407642 ?            ?                   
# 
_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                        7HM0 
_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 'N-{[2-(dimethylamino)pyridin-4-yl]methyl}acetamide' 193.246   1   ?        ? ? ? 
3 non-polymer syn 1,2-ETHANEDIOL                                       62.068    1   ?        ? ? ? 
4 non-polymer syn 'SULFATE ION'                                        96.063    1   ?        ? ? ? 
5 water       nat water                                                18.015    149 ?        ? ? ? 
# 
_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 'N-{[2-(dimethylamino)pyridin-4-yl]methyl}acetamide' A1BFG 
3 1,2-ETHANEDIOL                                       EDO   
4 'SULFATE ION'                                        SO4   
5 water                                                HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   HIS n 
1 3   HIS n 
1 4   HIS n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   MET n 
1 9   VAL n 
1 10  HIS n 
1 11  ILE n 
1 12  THR n 
1 13  LEU n 
1 14  ASP n 
1 15  ARG n 
1 16  ASN n 
1 17  THR n 
1 18  ALA n 
1 19  ASN n 
1 20  SER n 
1 21  TRP n 
1 22  LEU n 
1 23  ILE n 
1 24  ILE n 
1 25  SER n 
1 26  LYS n 
1 27  ASP n 
1 28  ARG n 
1 29  ARG n 
1 30  GLN n 
1 31  VAL n 
1 32  ARG n 
1 33  MET n 
1 34  GLY n 
1 35  ASP n 
1 36  THR n 
1 37  HIS n 
1 38  GLN n 
1 39  ASN n 
1 40  VAL n 
1 41  SER n 
1 42  ASP n 
1 43  ASN n 
1 44  LYS n 
1 45  GLU n 
1 46  ARG n 
1 47  PHE n 
1 48  SER n 
1 49  ASN n 
1 50  TYR n 
1 51  PRO n 
1 52  MET n 
1 53  VAL n 
1 54  LEU n 
1 55  GLY n 
1 56  ALA n 
1 57  GLN n 
1 58  ARG n 
1 59  PHE n 
1 60  SER n 
1 61  SER n 
1 62  GLY n 
1 63  LYS n 
1 64  MET n 
1 65  TYR n 
1 66  TRP n 
1 67  GLU n 
1 68  VAL n 
1 69  ASP n 
1 70  VAL n 
1 71  THR n 
1 72  GLN n 
1 73  LYS n 
1 74  GLU n 
1 75  ALA n 
1 76  TRP n 
1 77  ASP n 
1 78  LEU n 
1 79  GLY n 
1 80  VAL n 
1 81  CYS n 
1 82  ARG n 
1 83  ASP n 
1 84  SER n 
1 85  VAL n 
1 86  GLN n 
1 87  ARG n 
1 88  LYS n 
1 89  GLY n 
1 90  GLN n 
1 91  PHE n 
1 92  SER n 
1 93  LEU n 
1 94  SER n 
1 95  PRO n 
1 96  GLU n 
1 97  ASN n 
1 98  GLY n 
1 99  PHE n 
1 100 TRP n 
1 101 THR n 
1 102 ILE n 
1 103 TRP n 
1 104 LEU n 
1 105 TRP n 
1 106 GLN n 
1 107 ASP n 
1 108 SER n 
1 109 TYR n 
1 110 GLU n 
1 111 ALA n 
1 112 GLY n 
1 113 THR n 
1 114 SER n 
1 115 PRO n 
1 116 GLN n 
1 117 THR n 
1 118 THR n 
1 119 LEU n 
1 120 HIS n 
1 121 ILE n 
1 122 GLN n 
1 123 VAL n 
1 124 PRO n 
1 125 PRO n 
1 126 CYS n 
1 127 GLN n 
1 128 ILE n 
1 129 GLY n 
1 130 ILE n 
1 131 PHE n 
1 132 VAL n 
1 133 ASP n 
1 134 TYR n 
1 135 GLU n 
1 136 ALA n 
1 137 GLY n 
1 138 VAL n 
1 139 VAL n 
1 140 SER n 
1 141 PHE n 
1 142 TYR n 
1 143 ASN n 
1 144 ILE n 
1 145 THR n 
1 146 ASP n 
1 147 HIS n 
1 148 GLY n 
1 149 SER n 
1 150 LEU n 
1 151 ILE n 
1 152 TYR n 
1 153 THR n 
1 154 PHE n 
1 155 SER n 
1 156 GLU n 
1 157 CYS n 
1 158 VAL n 
1 159 PHE n 
1 160 ALA n 
1 161 GLY n 
1 162 PRO n 
1 163 LEU n 
1 164 ARG n 
1 165 PRO n 
1 166 PHE n 
1 167 PHE n 
1 168 ASN n 
1 169 VAL n 
1 170 GLY n 
1 171 PHE n 
1 172 ASN n 
1 173 TYR n 
1 174 SER n 
1 175 GLY n 
1 176 GLY n 
1 177 ASN n 
1 178 ALA n 
1 179 ALA n 
1 180 PRO n 
1 181 LEU n 
1 182 LYS n 
1 183 LEU n 
1 184 CYS n 
1 185 PRO n 
1 186 LEU n 
1 187 LYS n 
1 188 MET n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   188 
_entity_src_gen.gene_src_common_name               'house mouse' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'Trim21, Ro52, Ssa1' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Mus musculus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     10090 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
A1BFG non-polymer         . 'N-{[2-(dimethylamino)pyridin-4-yl]methyl}acetamide' ?                 'C10 H15 N3 O'   193.246 
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        A1BFG 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1BFG 
_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 A1BFG 1   201 201 A1BFG LIG B . 
C 3 EDO   1   202 305 EDO   EDO B . 
D 4 SO4   1   203 1   SO4   SO4 B . 
E 5 HOH   1   301 75  HOH   HOH B . 
E 5 HOH   2   302 1   HOH   HOH B . 
E 5 HOH   3   303 107 HOH   HOH B . 
E 5 HOH   4   304 11  HOH   HOH B . 
E 5 HOH   5   305 12  HOH   HOH B . 
E 5 HOH   6   306 2   HOH   HOH B . 
E 5 HOH   7   307 26  HOH   HOH B . 
E 5 HOH   8   308 33  HOH   HOH B . 
E 5 HOH   9   309 99  HOH   HOH B . 
E 5 HOH   10  310 4   HOH   HOH B . 
E 5 HOH   11  311 80  HOH   HOH B . 
E 5 HOH   12  312 29  HOH   HOH B . 
E 5 HOH   13  313 9   HOH   HOH B . 
E 5 HOH   14  314 27  HOH   HOH B . 
E 5 HOH   15  315 40  HOH   HOH B . 
E 5 HOH   16  316 281 HOH   HOH B . 
E 5 HOH   17  317 16  HOH   HOH B . 
E 5 HOH   18  318 5   HOH   HOH B . 
E 5 HOH   19  319 63  HOH   HOH B . 
E 5 HOH   20  320 95  HOH   HOH B . 
E 5 HOH   21  321 31  HOH   HOH B . 
E 5 HOH   22  322 89  HOH   HOH B . 
E 5 HOH   23  323 72  HOH   HOH B . 
E 5 HOH   24  324 10  HOH   HOH B . 
E 5 HOH   25  325 39  HOH   HOH B . 
E 5 HOH   26  326 90  HOH   HOH B . 
E 5 HOH   27  327 11  HOH   HOH B . 
E 5 HOH   28  328 116 HOH   HOH B . 
E 5 HOH   29  329 15  HOH   HOH B . 
E 5 HOH   30  330 62  HOH   HOH B . 
E 5 HOH   31  331 51  HOH   HOH B . 
E 5 HOH   32  332 21  HOH   HOH B . 
E 5 HOH   33  333 68  HOH   HOH B . 
E 5 HOH   34  334 129 HOH   HOH B . 
E 5 HOH   35  335 25  HOH   HOH B . 
E 5 HOH   36  336 214 HOH   HOH B . 
E 5 HOH   37  337 43  HOH   HOH B . 
E 5 HOH   38  338 86  HOH   HOH B . 
E 5 HOH   39  339 36  HOH   HOH B . 
E 5 HOH   40  340 70  HOH   HOH B . 
E 5 HOH   41  341 18  HOH   HOH B . 
E 5 HOH   42  342 100 HOH   HOH B . 
E 5 HOH   43  343 2   HOH   HOH B . 
E 5 HOH   44  344 34  HOH   HOH B . 
E 5 HOH   45  345 20  HOH   HOH B . 
E 5 HOH   46  346 58  HOH   HOH B . 
E 5 HOH   47  347 19  HOH   HOH B . 
E 5 HOH   48  348 102 HOH   HOH B . 
E 5 HOH   49  349 6   HOH   HOH B . 
E 5 HOH   50  350 27  HOH   HOH B . 
E 5 HOH   51  351 50  HOH   HOH B . 
E 5 HOH   52  352 29  HOH   HOH B . 
E 5 HOH   53  353 16  HOH   HOH B . 
E 5 HOH   54  354 211 HOH   HOH B . 
E 5 HOH   55  355 66  HOH   HOH B . 
E 5 HOH   56  356 22  HOH   HOH B . 
E 5 HOH   57  357 26  HOH   HOH B . 
E 5 HOH   58  358 71  HOH   HOH B . 
E 5 HOH   59  359 76  HOH   HOH B . 
E 5 HOH   60  360 85  HOH   HOH B . 
E 5 HOH   61  361 32  HOH   HOH B . 
E 5 HOH   62  362 267 HOH   HOH B . 
E 5 HOH   63  363 81  HOH   HOH B . 
E 5 HOH   64  364 93  HOH   HOH B . 
E 5 HOH   65  365 156 HOH   HOH B . 
E 5 HOH   66  366 28  HOH   HOH B . 
E 5 HOH   67  367 47  HOH   HOH B . 
E 5 HOH   68  368 10  HOH   HOH B . 
E 5 HOH   69  369 59  HOH   HOH B . 
E 5 HOH   70  370 7   HOH   HOH B . 
E 5 HOH   71  371 61  HOH   HOH B . 
E 5 HOH   72  372 4   HOH   HOH B . 
E 5 HOH   73  373 3   HOH   HOH B . 
E 5 HOH   74  374 55  HOH   HOH B . 
E 5 HOH   75  375 1   HOH   HOH B . 
E 5 HOH   76  376 25  HOH   HOH B . 
E 5 HOH   77  377 32  HOH   HOH B . 
E 5 HOH   78  378 126 HOH   HOH B . 
E 5 HOH   79  379 184 HOH   HOH B . 
E 5 HOH   80  380 60  HOH   HOH B . 
E 5 HOH   81  381 3   HOH   HOH B . 
E 5 HOH   82  382 97  HOH   HOH B . 
E 5 HOH   83  383 304 HOH   HOH B . 
E 5 HOH   84  384 14  HOH   HOH B . 
E 5 HOH   85  385 303 HOH   HOH B . 
E 5 HOH   86  386 33  HOH   HOH B . 
E 5 HOH   87  387 197 HOH   HOH B . 
E 5 HOH   88  388 64  HOH   HOH B . 
E 5 HOH   89  389 12  HOH   HOH B . 
E 5 HOH   90  390 172 HOH   HOH B . 
E 5 HOH   91  391 24  HOH   HOH B . 
E 5 HOH   92  392 157 HOH   HOH B . 
E 5 HOH   93  393 8   HOH   HOH B . 
E 5 HOH   94  394 13  HOH   HOH B . 
E 5 HOH   95  395 112 HOH   HOH B . 
E 5 HOH   96  396 8   HOH   HOH B . 
E 5 HOH   97  397 49  HOH   HOH B . 
E 5 HOH   98  398 9   HOH   HOH B . 
E 5 HOH   99  399 137 HOH   HOH B . 
E 5 HOH   100 400 23  HOH   HOH B . 
E 5 HOH   101 401 73  HOH   HOH B . 
E 5 HOH   102 402 48  HOH   HOH B . 
E 5 HOH   103 403 42  HOH   HOH B . 
E 5 HOH   104 404 46  HOH   HOH B . 
E 5 HOH   105 405 56  HOH   HOH B . 
E 5 HOH   106 406 17  HOH   HOH B . 
E 5 HOH   107 407 120 HOH   HOH B . 
E 5 HOH   108 408 22  HOH   HOH B . 
E 5 HOH   109 409 69  HOH   HOH B . 
E 5 HOH   110 410 30  HOH   HOH B . 
E 5 HOH   111 411 20  HOH   HOH B . 
E 5 HOH   112 412 7   HOH   HOH B . 
E 5 HOH   113 413 15  HOH   HOH B . 
E 5 HOH   114 414 54  HOH   HOH B . 
E 5 HOH   115 415 263 HOH   HOH B . 
E 5 HOH   116 416 53  HOH   HOH B . 
E 5 HOH   117 417 140 HOH   HOH B . 
E 5 HOH   118 418 38  HOH   HOH B . 
E 5 HOH   119 419 41  HOH   HOH B . 
E 5 HOH   120 420 57  HOH   HOH B . 
E 5 HOH   121 421 103 HOH   HOH B . 
E 5 HOH   122 422 264 HOH   HOH B . 
E 5 HOH   123 423 257 HOH   HOH B . 
E 5 HOH   124 424 125 HOH   HOH B . 
E 5 HOH   125 425 18  HOH   HOH B . 
E 5 HOH   126 426 45  HOH   HOH B . 
E 5 HOH   127 427 5   HOH   HOH B . 
E 5 HOH   128 428 154 HOH   HOH B . 
E 5 HOH   129 429 44  HOH   HOH B . 
E 5 HOH   130 430 19  HOH   HOH B . 
E 5 HOH   131 431 114 HOH   HOH B . 
E 5 HOH   132 432 30  HOH   HOH B . 
E 5 HOH   133 433 133 HOH   HOH B . 
E 5 HOH   134 434 115 HOH   HOH B . 
E 5 HOH   135 435 266 HOH   HOH B . 
E 5 HOH   136 436 31  HOH   HOH B . 
E 5 HOH   137 437 21  HOH   HOH B . 
E 5 HOH   138 438 13  HOH   HOH B . 
E 5 HOH   139 439 23  HOH   HOH B . 
E 5 HOH   140 440 166 HOH   HOH B . 
E 5 HOH   141 441 104 HOH   HOH B . 
E 5 HOH   142 442 82  HOH   HOH B . 
E 5 HOH   143 443 98  HOH   HOH B . 
E 5 HOH   144 444 205 HOH   HOH B . 
E 5 HOH   145 445 127 HOH   HOH B . 
E 5 HOH   146 446 14  HOH   HOH B . 
E 5 HOH   147 447 131 HOH   HOH B . 
E 5 HOH   148 448 270 HOH   HOH B . 
E 5 HOH   149 449 259 HOH   HOH B . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 B LEU 192 ? CG  ? A LEU 186 CG  
2 1 Y 1 B LEU 192 ? CD1 ? A LEU 186 CD1 
3 1 Y 1 B LEU 192 ? CD2 ? A LEU 186 CD2 
# 
loop_
_software.pdbx_ordinal 
_software.name 
_software.version 
_software.date 
_software.type 
_software.contact_author 
_software.contact_author_email 
_software.classification 
_software.location 
_software.language 
_software.citation_id 
1 REFMAC      5.8.0267 ?               program 'Garib N. Murshudov' garib@ysbl.york.ac.uk    refinement        
http://www.ccp4.ac.uk/dist/html/refmac5.html        Fortran_77 ? 
2 Aimless     0.7.7    23/04/21        program 'Phil Evans'         ?                        'data scaling'    
http://www.mrc-lmb.cam.ac.uk/harry/pre/aimless.html ?          ? 
3 PDB_EXTRACT 3.23     'SEP. 23, 2016' package PDB                  deposit@deposit.rcsb.org 'data extraction' 
http://sw-tools.pdb.org/apps/PDB_EXTRACT/           C++        ? 
4 XDS         .        ?               program ?                    ?                        'data reduction'  ? ?          ? 
5 REFMAC      .        ?               program ?                    ?                        phasing           ? ?          ? 
# 
_cell.entry_id           7HM0 
_cell.length_a           95.505 
_cell.length_b           95.505 
_cell.length_c           45.808 
_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                         7HM0 
_symmetry.space_group_name_H-M             'I 4' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                79 
# 
_exptl.crystals_number   1 
_exptl.entry_id          7HM0 
_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   49.14 
_exptl_crystal.size_max              ? 
_exptl_crystal.size_mid              ? 
_exptl_crystal.size_min              ? 
_exptl_crystal.size_rad              ? 
_exptl_crystal.description           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.pH              8 
_exptl_crystal_grow.temp            293 
_exptl_crystal_grow.pdbx_details    '4 % PEG 400, 2 M AmmSO4, 0.1 M HEPES pH 8' 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           100 
_diffrn.crystal_id             1 
_diffrn.ambient_temp_details   ? 
# 
_diffrn_detector.detector               PIXEL 
_diffrn_detector.type                   'DECTRIS EIGER2 XE 9M' 
_diffrn_detector.pdbx_collection_date   2024-05-24 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.92124 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'DIAMOND BEAMLINE I04-1' 
_diffrn_source.pdbx_wavelength_list        0.92124 
_diffrn_source.pdbx_synchrotron_site       Diamond 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HM0 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             67.540 
_reflns.d_resolution_high            1.430 
_reflns.number_obs                   38348 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         100.000 
_reflns.pdbx_Rmerge_I_obs            0.139 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        9.700 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              12.700 
_reflns.pdbx_Rrim_I_all              0.145 
_reflns.pdbx_Rpim_I_all              0.040 
_reflns.pdbx_CC_half                 0.999 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     486037 
_reflns.pdbx_scaling_rejects         0 
_reflns.pdbx_chi_squared             ? 
_reflns.Rmerge_F_all                 ? 
_reflns.Rmerge_F_obs                 ? 
_reflns.observed_criterion_F_max     ? 
_reflns.observed_criterion_F_min     ? 
_reflns.observed_criterion_I_max     ? 
_reflns.observed_criterion_I_min     ? 
_reflns.pdbx_d_res_high_opt          ? 
_reflns.pdbx_d_res_low_opt           ? 
_reflns.details                      ? 
# 
loop_
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_ordinal 
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.number_measured_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_unique_obs 
_reflns_shell.pdbx_rejects 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_redundancy 
_reflns_shell.percent_possible_obs 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.Rmerge_I_all 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.percent_possible_all 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_CC_half 
1 1 1.430 1.450  ? 17805 1963 ? 5.227 ? ? ? 9.100  ? 0.300  ? ? ? ? ? ? 99.600 5.535 1.808 0.353 
1 2 7.700 67.540 ? 3317  275  ? 0.037 ? ? ? 12.100 ? 59.400 ? ? ? ? ? ? 99.900 0.039 0.012 1.000 
# 
_refine.entry_id                                 7HM0 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.4300 
_refine.ls_d_res_low                             67.5300 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    99.0500 
_refine.ls_number_reflns_obs                     36149 
_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                          0.1891 
_refine.ls_R_factor_R_work                       0.1878 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.2141 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.8000 
_refine.ls_number_reflns_R_free                  1840 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               22.3300 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            -0.0100 
_refine.aniso_B[2][2]                            -0.0100 
_refine.aniso_B[3][3]                            0.0200 
_refine.aniso_B[1][2]                            -0.0000 
_refine.aniso_B[1][3]                            0.0000 
_refine.aniso_B[2][3]                            0.0000 
_refine.correlation_coeff_Fo_to_Fc               0.9700 
_refine.correlation_coeff_Fo_to_Fc_free          0.9590 
_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                       0.0710 
_refine.pdbx_overall_ESU_R_Free                  0.0720 
_refine.overall_SU_ML                            0.0720 
_refine.overall_SU_B                             2.0960 
_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                                90.830 
_refine.B_iso_min                                13.120 
_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                       1.4300 
_refine_hist.d_res_low                        67.5300 
_refine_hist.pdbx_number_atoms_ligand         23 
_refine_hist.number_atoms_solvent             149 
_refine_hist.number_atoms_total               1665 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           46.77 
_refine_hist.pdbx_B_iso_mean_solvent          33.65 
_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       1989 0.011  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1615 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2504 1.597  1.636  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3722 1.377  1.578  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 235  7.106  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 109  26.979 21.009 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 285  12.472 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   21.882 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         217  0.079  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2238 0.010  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     494  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            943  1.674  2.040  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         942  1.654  2.036  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1129 2.598  3.054  ? ? 
# 
_refine_ls_shell.d_res_high                       1.4290 
_refine_ls_shell.d_res_low                        1.4660 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               86.9200 
_refine_ls_shell.number_reflns_R_work             2323 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3730 
_refine_ls_shell.R_factor_R_free                  0.3880 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             110 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                2433 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HM0 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z374427992' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HM0 
_struct_keywords.text            'SGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, TRIM21, LIGASE' 
_struct_keywords.pdbx_keywords   LIGASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
E N N 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              7HM0 
_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 7HM0 MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HM0 HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HM0 HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HM0 HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HM0 HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HM0 HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HM0 HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HM0 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 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 4  ? MET A 8  ? HIS B 10  MET B 14  5 ? 5 
HELX_P HELX_P2 AA2 ASP A 14 ? ALA A 18 ? ASP B 20  ALA B 24  5 ? 5 
HELX_P HELX_P3 AA3 SER A 94 ? ASN A 97 ? SER B 100 ASN B 103 5 ? 4 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           114 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            120 
_struct_mon_prot_cis.auth_asym_id           B 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    115 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     121 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    B 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -1.01 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 7 ? 
AA2 ? 6 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 LEU A 22  ? ILE A 24  ? LEU B 28  ILE B 30  
AA1 2 GLN A 30  ? MET A 33  ? GLN B 36  MET B 39  
AA1 3 LEU A 181 ? LEU A 183 ? LEU B 187 LEU B 189 
AA1 4 LYS A 63  ? ASP A 69  ? LYS B 69  ASP B 75  
AA1 5 GLN A 127 ? ASP A 133 ? GLN B 133 ASP B 139 
AA1 6 VAL A 138 ? ASN A 143 ? VAL B 144 ASN B 149 
AA1 7 SER A 149 ? PHE A 154 ? SER B 155 PHE B 160 
AA2 1 MET A 52  ? LEU A 54  ? MET B 58  LEU B 60  
AA2 2 LEU A 163 ? ASN A 168 ? LEU B 169 ASN B 174 
AA2 3 TRP A 76  ? ARG A 82  ? TRP B 82  ARG B 88  
AA2 4 PHE A 99  ? TRP A 105 ? PHE B 105 TRP B 111 
AA2 5 SER A 108 ? ALA A 111 ? SER B 114 ALA B 117 
AA2 6 THR A 117 ? THR A 118 ? THR B 123 THR B 124 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N ILE A 23  ? N ILE B 29  O ARG A 32  ? O ARG B 38  
AA1 2 3 N VAL A 31  ? N VAL B 37  O LEU A 181 ? O LEU B 187 
AA1 3 4 O LYS A 182 ? O LYS B 188 N ASP A 69  ? N ASP B 75  
AA1 4 5 N TRP A 66  ? N TRP B 72  O ILE A 130 ? O ILE B 136 
AA1 5 6 N PHE A 131 ? N PHE B 137 O SER A 140 ? O SER B 146 
AA1 6 7 N PHE A 141 ? N PHE B 147 O ILE A 151 ? O ILE B 157 
AA2 1 2 N VAL A 53  ? N VAL B 59  O PHE A 167 ? O PHE B 173 
AA2 2 3 O ARG A 164 ? O ARG B 170 N CYS A 81  ? N CYS B 87  
AA2 3 4 N LEU A 78  ? N LEU B 84  O ILE A 102 ? O ILE B 108 
AA2 4 5 N TRP A 105 ? N TRP B 111 O SER A 108 ? O SER B 114 
AA2 5 6 N ALA A 111 ? N ALA B 117 O THR A 117 ? O THR B 123 
# 
_pdbx_entry_details.entry_id                   7HM0 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   OE2 
_pdbx_validate_close_contact.auth_asym_id_1   B 
_pdbx_validate_close_contact.auth_comp_id_1   GLU 
_pdbx_validate_close_contact.auth_seq_id_1    116 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   B 
_pdbx_validate_close_contact.auth_atom_id_2   O 
_pdbx_validate_close_contact.auth_asym_id_2   B 
_pdbx_validate_close_contact.auth_comp_id_2   HOH 
_pdbx_validate_close_contact.auth_seq_id_2    301 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             1.83 
# 
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 175.61  157.27 
2 1 GLN B 78  ? ? 59.68   15.14  
3 1 ASP B 152 ? ? -103.61 53.80  
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    B 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     431 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   E 
_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 
A1BFG N1   N N N 1   
A1BFG N3   N Y N 2   
A1BFG C4   C Y N 3   
A1BFG C5   C Y N 4   
A1BFG C6   C N N 5   
A1BFG C7   C N N 6   
A1BFG C8   C N N 7   
A1BFG C10  C Y N 8   
A1BFG C1   C N N 9   
A1BFG C2   C N N 10  
A1BFG C3   C Y N 11  
A1BFG C9   C Y N 12  
A1BFG N2   N N N 13  
A1BFG O1   O N N 14  
A1BFG H7   H N N 15  
A1BFG H9   H N N 16  
A1BFG H8   H N N 17  
A1BFG H13  H N N 18  
A1BFG H11  H N N 19  
A1BFG H12  H N N 20  
A1BFG H15  H N N 21  
A1BFG H2   H N N 22  
A1BFG H1   H N N 23  
A1BFG H3   H N N 24  
A1BFG H5   H N N 25  
A1BFG H6   H N N 26  
A1BFG H4   H N N 27  
A1BFG H14  H N N 28  
A1BFG H10  H N N 29  
ALA   N    N N N 30  
ALA   CA   C N S 31  
ALA   C    C N N 32  
ALA   O    O N N 33  
ALA   CB   C N N 34  
ALA   OXT  O N N 35  
ALA   H    H N N 36  
ALA   H2   H N N 37  
ALA   HA   H N N 38  
ALA   HB1  H N N 39  
ALA   HB2  H N N 40  
ALA   HB3  H N N 41  
ALA   HXT  H N N 42  
ARG   N    N N N 43  
ARG   CA   C N S 44  
ARG   C    C N N 45  
ARG   O    O N N 46  
ARG   CB   C N N 47  
ARG   CG   C N N 48  
ARG   CD   C N N 49  
ARG   NE   N N N 50  
ARG   CZ   C N N 51  
ARG   NH1  N N N 52  
ARG   NH2  N N N 53  
ARG   OXT  O N N 54  
ARG   H    H N N 55  
ARG   H2   H N N 56  
ARG   HA   H N N 57  
ARG   HB2  H N N 58  
ARG   HB3  H N N 59  
ARG   HG2  H N N 60  
ARG   HG3  H N N 61  
ARG   HD2  H N N 62  
ARG   HD3  H N N 63  
ARG   HE   H N N 64  
ARG   HH11 H N N 65  
ARG   HH12 H N N 66  
ARG   HH21 H N N 67  
ARG   HH22 H N N 68  
ARG   HXT  H N N 69  
ASN   N    N N N 70  
ASN   CA   C N S 71  
ASN   C    C N N 72  
ASN   O    O N N 73  
ASN   CB   C N N 74  
ASN   CG   C N N 75  
ASN   OD1  O N N 76  
ASN   ND2  N N N 77  
ASN   OXT  O N N 78  
ASN   H    H N N 79  
ASN   H2   H N N 80  
ASN   HA   H N N 81  
ASN   HB2  H N N 82  
ASN   HB3  H N N 83  
ASN   HD21 H N N 84  
ASN   HD22 H N N 85  
ASN   HXT  H N N 86  
ASP   N    N N N 87  
ASP   CA   C N S 88  
ASP   C    C N N 89  
ASP   O    O N N 90  
ASP   CB   C N N 91  
ASP   CG   C N N 92  
ASP   OD1  O N N 93  
ASP   OD2  O N N 94  
ASP   OXT  O N N 95  
ASP   H    H N N 96  
ASP   H2   H N N 97  
ASP   HA   H N N 98  
ASP   HB2  H N N 99  
ASP   HB3  H N N 100 
ASP   HD2  H N N 101 
ASP   HXT  H N N 102 
CYS   N    N N N 103 
CYS   CA   C N R 104 
CYS   C    C N N 105 
CYS   O    O N N 106 
CYS   CB   C N N 107 
CYS   SG   S N N 108 
CYS   OXT  O N N 109 
CYS   H    H N N 110 
CYS   H2   H N N 111 
CYS   HA   H N N 112 
CYS   HB2  H N N 113 
CYS   HB3  H N N 114 
CYS   HG   H N N 115 
CYS   HXT  H N N 116 
EDO   C1   C N N 117 
EDO   O1   O N N 118 
EDO   C2   C N N 119 
EDO   O2   O N N 120 
EDO   H11  H N N 121 
EDO   H12  H N N 122 
EDO   HO1  H N N 123 
EDO   H21  H N N 124 
EDO   H22  H N N 125 
EDO   HO2  H N N 126 
GLN   N    N N N 127 
GLN   CA   C N S 128 
GLN   C    C N N 129 
GLN   O    O N N 130 
GLN   CB   C N N 131 
GLN   CG   C N N 132 
GLN   CD   C N N 133 
GLN   OE1  O N N 134 
GLN   NE2  N N N 135 
GLN   OXT  O N N 136 
GLN   H    H N N 137 
GLN   H2   H N N 138 
GLN   HA   H N N 139 
GLN   HB2  H N N 140 
GLN   HB3  H N N 141 
GLN   HG2  H N N 142 
GLN   HG3  H N N 143 
GLN   HE21 H N N 144 
GLN   HE22 H N N 145 
GLN   HXT  H N N 146 
GLU   N    N N N 147 
GLU   CA   C N S 148 
GLU   C    C N N 149 
GLU   O    O N N 150 
GLU   CB   C N N 151 
GLU   CG   C N N 152 
GLU   CD   C N N 153 
GLU   OE1  O N N 154 
GLU   OE2  O N N 155 
GLU   OXT  O N N 156 
GLU   H    H N N 157 
GLU   H2   H N N 158 
GLU   HA   H N N 159 
GLU   HB2  H N N 160 
GLU   HB3  H N N 161 
GLU   HG2  H N N 162 
GLU   HG3  H N N 163 
GLU   HE2  H N N 164 
GLU   HXT  H N N 165 
GLY   N    N N N 166 
GLY   CA   C N N 167 
GLY   C    C N N 168 
GLY   O    O N N 169 
GLY   OXT  O N N 170 
GLY   H    H N N 171 
GLY   H2   H N N 172 
GLY   HA2  H N N 173 
GLY   HA3  H N N 174 
GLY   HXT  H N N 175 
HIS   N    N N N 176 
HIS   CA   C N S 177 
HIS   C    C N N 178 
HIS   O    O N N 179 
HIS   CB   C N N 180 
HIS   CG   C Y N 181 
HIS   ND1  N Y N 182 
HIS   CD2  C Y N 183 
HIS   CE1  C Y N 184 
HIS   NE2  N Y N 185 
HIS   OXT  O N N 186 
HIS   H    H N N 187 
HIS   H2   H N N 188 
HIS   HA   H N N 189 
HIS   HB2  H N N 190 
HIS   HB3  H N N 191 
HIS   HD1  H N N 192 
HIS   HD2  H N N 193 
HIS   HE1  H N N 194 
HIS   HE2  H N N 195 
HIS   HXT  H N N 196 
HOH   O    O N N 197 
HOH   H1   H N N 198 
HOH   H2   H N N 199 
ILE   N    N N N 200 
ILE   CA   C N S 201 
ILE   C    C N N 202 
ILE   O    O N N 203 
ILE   CB   C N S 204 
ILE   CG1  C N N 205 
ILE   CG2  C N N 206 
ILE   CD1  C N N 207 
ILE   OXT  O N N 208 
ILE   H    H N N 209 
ILE   H2   H N N 210 
ILE   HA   H N N 211 
ILE   HB   H N N 212 
ILE   HG12 H N N 213 
ILE   HG13 H N N 214 
ILE   HG21 H N N 215 
ILE   HG22 H N N 216 
ILE   HG23 H N N 217 
ILE   HD11 H N N 218 
ILE   HD12 H N N 219 
ILE   HD13 H N N 220 
ILE   HXT  H N N 221 
LEU   N    N N N 222 
LEU   CA   C N S 223 
LEU   C    C N N 224 
LEU   O    O N N 225 
LEU   CB   C N N 226 
LEU   CG   C N N 227 
LEU   CD1  C N N 228 
LEU   CD2  C N N 229 
LEU   OXT  O N N 230 
LEU   H    H N N 231 
LEU   H2   H N N 232 
LEU   HA   H N N 233 
LEU   HB2  H N N 234 
LEU   HB3  H N N 235 
LEU   HG   H N N 236 
LEU   HD11 H N N 237 
LEU   HD12 H N N 238 
LEU   HD13 H N N 239 
LEU   HD21 H N N 240 
LEU   HD22 H N N 241 
LEU   HD23 H N N 242 
LEU   HXT  H N N 243 
LYS   N    N N N 244 
LYS   CA   C N S 245 
LYS   C    C N N 246 
LYS   O    O N N 247 
LYS   CB   C N N 248 
LYS   CG   C N N 249 
LYS   CD   C N N 250 
LYS   CE   C N N 251 
LYS   NZ   N N N 252 
LYS   OXT  O N N 253 
LYS   H    H N N 254 
LYS   H2   H N N 255 
LYS   HA   H N N 256 
LYS   HB2  H N N 257 
LYS   HB3  H N N 258 
LYS   HG2  H N N 259 
LYS   HG3  H N N 260 
LYS   HD2  H N N 261 
LYS   HD3  H N N 262 
LYS   HE2  H N N 263 
LYS   HE3  H N N 264 
LYS   HZ1  H N N 265 
LYS   HZ2  H N N 266 
LYS   HZ3  H N N 267 
LYS   HXT  H N N 268 
MET   N    N N N 269 
MET   CA   C N S 270 
MET   C    C N N 271 
MET   O    O N N 272 
MET   CB   C N N 273 
MET   CG   C N N 274 
MET   SD   S N N 275 
MET   CE   C N N 276 
MET   OXT  O N N 277 
MET   H    H N N 278 
MET   H2   H N N 279 
MET   HA   H N N 280 
MET   HB2  H N N 281 
MET   HB3  H N N 282 
MET   HG2  H N N 283 
MET   HG3  H N N 284 
MET   HE1  H N N 285 
MET   HE2  H N N 286 
MET   HE3  H N N 287 
MET   HXT  H N N 288 
PHE   N    N N N 289 
PHE   CA   C N S 290 
PHE   C    C N N 291 
PHE   O    O N N 292 
PHE   CB   C N N 293 
PHE   CG   C Y N 294 
PHE   CD1  C Y N 295 
PHE   CD2  C Y N 296 
PHE   CE1  C Y N 297 
PHE   CE2  C Y N 298 
PHE   CZ   C Y N 299 
PHE   OXT  O N N 300 
PHE   H    H N N 301 
PHE   H2   H N N 302 
PHE   HA   H N N 303 
PHE   HB2  H N N 304 
PHE   HB3  H N N 305 
PHE   HD1  H N N 306 
PHE   HD2  H N N 307 
PHE   HE1  H N N 308 
PHE   HE2  H N N 309 
PHE   HZ   H N N 310 
PHE   HXT  H N N 311 
PRO   N    N N N 312 
PRO   CA   C N S 313 
PRO   C    C N N 314 
PRO   O    O N N 315 
PRO   CB   C N N 316 
PRO   CG   C N N 317 
PRO   CD   C N N 318 
PRO   OXT  O N N 319 
PRO   H    H N N 320 
PRO   HA   H N N 321 
PRO   HB2  H N N 322 
PRO   HB3  H N N 323 
PRO   HG2  H N N 324 
PRO   HG3  H N N 325 
PRO   HD2  H N N 326 
PRO   HD3  H N N 327 
PRO   HXT  H N N 328 
SER   N    N N N 329 
SER   CA   C N S 330 
SER   C    C N N 331 
SER   O    O N N 332 
SER   CB   C N N 333 
SER   OG   O N N 334 
SER   OXT  O N N 335 
SER   H    H N N 336 
SER   H2   H N N 337 
SER   HA   H N N 338 
SER   HB2  H N N 339 
SER   HB3  H N N 340 
SER   HG   H N N 341 
SER   HXT  H N N 342 
SO4   S    S N N 343 
SO4   O1   O N N 344 
SO4   O2   O N N 345 
SO4   O3   O N N 346 
SO4   O4   O N N 347 
THR   N    N N N 348 
THR   CA   C N S 349 
THR   C    C N N 350 
THR   O    O N N 351 
THR   CB   C N R 352 
THR   OG1  O N N 353 
THR   CG2  C N N 354 
THR   OXT  O N N 355 
THR   H    H N N 356 
THR   H2   H N N 357 
THR   HA   H N N 358 
THR   HB   H N N 359 
THR   HG1  H N N 360 
THR   HG21 H N N 361 
THR   HG22 H N N 362 
THR   HG23 H N N 363 
THR   HXT  H N N 364 
TRP   N    N N N 365 
TRP   CA   C N S 366 
TRP   C    C N N 367 
TRP   O    O N N 368 
TRP   CB   C N N 369 
TRP   CG   C Y N 370 
TRP   CD1  C Y N 371 
TRP   CD2  C Y N 372 
TRP   NE1  N Y N 373 
TRP   CE2  C Y N 374 
TRP   CE3  C Y N 375 
TRP   CZ2  C Y N 376 
TRP   CZ3  C Y N 377 
TRP   CH2  C Y N 378 
TRP   OXT  O N N 379 
TRP   H    H N N 380 
TRP   H2   H N N 381 
TRP   HA   H N N 382 
TRP   HB2  H N N 383 
TRP   HB3  H N N 384 
TRP   HD1  H N N 385 
TRP   HE1  H N N 386 
TRP   HE3  H N N 387 
TRP   HZ2  H N N 388 
TRP   HZ3  H N N 389 
TRP   HH2  H N N 390 
TRP   HXT  H N N 391 
TYR   N    N N N 392 
TYR   CA   C N S 393 
TYR   C    C N N 394 
TYR   O    O N N 395 
TYR   CB   C N N 396 
TYR   CG   C Y N 397 
TYR   CD1  C Y N 398 
TYR   CD2  C Y N 399 
TYR   CE1  C Y N 400 
TYR   CE2  C Y N 401 
TYR   CZ   C Y N 402 
TYR   OH   O N N 403 
TYR   OXT  O N N 404 
TYR   H    H N N 405 
TYR   H2   H N N 406 
TYR   HA   H N N 407 
TYR   HB2  H N N 408 
TYR   HB3  H N N 409 
TYR   HD1  H N N 410 
TYR   HD2  H N N 411 
TYR   HE1  H N N 412 
TYR   HE2  H N N 413 
TYR   HH   H N N 414 
TYR   HXT  H N N 415 
VAL   N    N N N 416 
VAL   CA   C N S 417 
VAL   C    C N N 418 
VAL   O    O N N 419 
VAL   CB   C N N 420 
VAL   CG1  C N N 421 
VAL   CG2  C N N 422 
VAL   OXT  O N N 423 
VAL   H    H N N 424 
VAL   H2   H N N 425 
VAL   HA   H N N 426 
VAL   HB   H N N 427 
VAL   HG11 H N N 428 
VAL   HG12 H N N 429 
VAL   HG13 H N N 430 
VAL   HG21 H N N 431 
VAL   HG22 H N N 432 
VAL   HG23 H N N 433 
VAL   HXT  H N N 434 
# 
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 
A1BFG C1  N1   sing N N 1   
A1BFG N1  C2   sing N N 2   
A1BFG N1  C3   sing N N 3   
A1BFG C3  C4   doub Y N 4   
A1BFG C4  C5   sing Y N 5   
A1BFG C5  C6   sing N N 6   
A1BFG C6  N2   sing N N 7   
A1BFG N2  C7   sing N N 8   
A1BFG C7  O1   doub N N 9   
A1BFG C7  C8   sing N N 10  
A1BFG C5  C9   doub Y N 11  
A1BFG C9  C10  sing Y N 12  
A1BFG C10 N3   doub Y N 13  
A1BFG C3  N3   sing Y N 14  
A1BFG C4  H7   sing N N 15  
A1BFG C6  H9   sing N N 16  
A1BFG C6  H8   sing N N 17  
A1BFG C8  H13  sing N N 18  
A1BFG C8  H11  sing N N 19  
A1BFG C8  H12  sing N N 20  
A1BFG C10 H15  sing N N 21  
A1BFG C1  H2   sing N N 22  
A1BFG C1  H1   sing N N 23  
A1BFG C1  H3   sing N N 24  
A1BFG C2  H5   sing N N 25  
A1BFG C2  H6   sing N N 26  
A1BFG C2  H4   sing N N 27  
A1BFG C9  H14  sing N N 28  
A1BFG N2  H10  sing N N 29  
ALA   N   CA   sing N N 30  
ALA   N   H    sing N N 31  
ALA   N   H2   sing N N 32  
ALA   CA  C    sing N N 33  
ALA   CA  CB   sing N N 34  
ALA   CA  HA   sing N N 35  
ALA   C   O    doub N N 36  
ALA   C   OXT  sing N N 37  
ALA   CB  HB1  sing N N 38  
ALA   CB  HB2  sing N N 39  
ALA   CB  HB3  sing N N 40  
ALA   OXT HXT  sing N N 41  
ARG   N   CA   sing N N 42  
ARG   N   H    sing N N 43  
ARG   N   H2   sing N N 44  
ARG   CA  C    sing N N 45  
ARG   CA  CB   sing N N 46  
ARG   CA  HA   sing N N 47  
ARG   C   O    doub N N 48  
ARG   C   OXT  sing N N 49  
ARG   CB  CG   sing N N 50  
ARG   CB  HB2  sing N N 51  
ARG   CB  HB3  sing N N 52  
ARG   CG  CD   sing N N 53  
ARG   CG  HG2  sing N N 54  
ARG   CG  HG3  sing N N 55  
ARG   CD  NE   sing N N 56  
ARG   CD  HD2  sing N N 57  
ARG   CD  HD3  sing N N 58  
ARG   NE  CZ   sing N N 59  
ARG   NE  HE   sing N N 60  
ARG   CZ  NH1  sing N N 61  
ARG   CZ  NH2  doub N N 62  
ARG   NH1 HH11 sing N N 63  
ARG   NH1 HH12 sing N N 64  
ARG   NH2 HH21 sing N N 65  
ARG   NH2 HH22 sing N N 66  
ARG   OXT HXT  sing N N 67  
ASN   N   CA   sing N N 68  
ASN   N   H    sing N N 69  
ASN   N   H2   sing N N 70  
ASN   CA  C    sing N N 71  
ASN   CA  CB   sing N N 72  
ASN   CA  HA   sing N N 73  
ASN   C   O    doub N N 74  
ASN   C   OXT  sing N N 75  
ASN   CB  CG   sing N N 76  
ASN   CB  HB2  sing N N 77  
ASN   CB  HB3  sing N N 78  
ASN   CG  OD1  doub N N 79  
ASN   CG  ND2  sing N N 80  
ASN   ND2 HD21 sing N N 81  
ASN   ND2 HD22 sing N N 82  
ASN   OXT HXT  sing N N 83  
ASP   N   CA   sing N N 84  
ASP   N   H    sing N N 85  
ASP   N   H2   sing N N 86  
ASP   CA  C    sing N N 87  
ASP   CA  CB   sing N N 88  
ASP   CA  HA   sing N N 89  
ASP   C   O    doub N N 90  
ASP   C   OXT  sing N N 91  
ASP   CB  CG   sing N N 92  
ASP   CB  HB2  sing N N 93  
ASP   CB  HB3  sing N N 94  
ASP   CG  OD1  doub N N 95  
ASP   CG  OD2  sing N N 96  
ASP   OD2 HD2  sing N N 97  
ASP   OXT HXT  sing N N 98  
CYS   N   CA   sing N N 99  
CYS   N   H    sing N N 100 
CYS   N   H2   sing N N 101 
CYS   CA  C    sing N N 102 
CYS   CA  CB   sing N N 103 
CYS   CA  HA   sing N N 104 
CYS   C   O    doub N N 105 
CYS   C   OXT  sing N N 106 
CYS   CB  SG   sing N N 107 
CYS   CB  HB2  sing N N 108 
CYS   CB  HB3  sing N N 109 
CYS   SG  HG   sing N N 110 
CYS   OXT HXT  sing N N 111 
EDO   C1  O1   sing N N 112 
EDO   C1  C2   sing N N 113 
EDO   C1  H11  sing N N 114 
EDO   C1  H12  sing N N 115 
EDO   O1  HO1  sing N N 116 
EDO   C2  O2   sing N N 117 
EDO   C2  H21  sing N N 118 
EDO   C2  H22  sing N N 119 
EDO   O2  HO2  sing N N 120 
GLN   N   CA   sing N N 121 
GLN   N   H    sing N N 122 
GLN   N   H2   sing N N 123 
GLN   CA  C    sing N N 124 
GLN   CA  CB   sing N N 125 
GLN   CA  HA   sing N N 126 
GLN   C   O    doub N N 127 
GLN   C   OXT  sing N N 128 
GLN   CB  CG   sing N N 129 
GLN   CB  HB2  sing N N 130 
GLN   CB  HB3  sing N N 131 
GLN   CG  CD   sing N N 132 
GLN   CG  HG2  sing N N 133 
GLN   CG  HG3  sing N N 134 
GLN   CD  OE1  doub N N 135 
GLN   CD  NE2  sing N N 136 
GLN   NE2 HE21 sing N N 137 
GLN   NE2 HE22 sing N N 138 
GLN   OXT HXT  sing N N 139 
GLU   N   CA   sing N N 140 
GLU   N   H    sing N N 141 
GLU   N   H2   sing N N 142 
GLU   CA  C    sing N N 143 
GLU   CA  CB   sing N N 144 
GLU   CA  HA   sing N N 145 
GLU   C   O    doub N N 146 
GLU   C   OXT  sing N N 147 
GLU   CB  CG   sing N N 148 
GLU   CB  HB2  sing N N 149 
GLU   CB  HB3  sing N N 150 
GLU   CG  CD   sing N N 151 
GLU   CG  HG2  sing N N 152 
GLU   CG  HG3  sing N N 153 
GLU   CD  OE1  doub N N 154 
GLU   CD  OE2  sing N N 155 
GLU   OE2 HE2  sing N N 156 
GLU   OXT HXT  sing N N 157 
GLY   N   CA   sing N N 158 
GLY   N   H    sing N N 159 
GLY   N   H2   sing N N 160 
GLY   CA  C    sing N N 161 
GLY   CA  HA2  sing N N 162 
GLY   CA  HA3  sing N N 163 
GLY   C   O    doub N N 164 
GLY   C   OXT  sing N N 165 
GLY   OXT HXT  sing N N 166 
HIS   N   CA   sing N N 167 
HIS   N   H    sing N N 168 
HIS   N   H2   sing N N 169 
HIS   CA  C    sing N N 170 
HIS   CA  CB   sing N N 171 
HIS   CA  HA   sing N N 172 
HIS   C   O    doub N N 173 
HIS   C   OXT  sing N N 174 
HIS   CB  CG   sing N N 175 
HIS   CB  HB2  sing N N 176 
HIS   CB  HB3  sing N N 177 
HIS   CG  ND1  sing Y N 178 
HIS   CG  CD2  doub Y N 179 
HIS   ND1 CE1  doub Y N 180 
HIS   ND1 HD1  sing N N 181 
HIS   CD2 NE2  sing Y N 182 
HIS   CD2 HD2  sing N N 183 
HIS   CE1 NE2  sing Y N 184 
HIS   CE1 HE1  sing N N 185 
HIS   NE2 HE2  sing N N 186 
HIS   OXT HXT  sing N N 187 
HOH   O   H1   sing N N 188 
HOH   O   H2   sing N N 189 
ILE   N   CA   sing N N 190 
ILE   N   H    sing N N 191 
ILE   N   H2   sing N N 192 
ILE   CA  C    sing N N 193 
ILE   CA  CB   sing N N 194 
ILE   CA  HA   sing N N 195 
ILE   C   O    doub N N 196 
ILE   C   OXT  sing N N 197 
ILE   CB  CG1  sing N N 198 
ILE   CB  CG2  sing N N 199 
ILE   CB  HB   sing N N 200 
ILE   CG1 CD1  sing N N 201 
ILE   CG1 HG12 sing N N 202 
ILE   CG1 HG13 sing N N 203 
ILE   CG2 HG21 sing N N 204 
ILE   CG2 HG22 sing N N 205 
ILE   CG2 HG23 sing N N 206 
ILE   CD1 HD11 sing N N 207 
ILE   CD1 HD12 sing N N 208 
ILE   CD1 HD13 sing N N 209 
ILE   OXT HXT  sing N N 210 
LEU   N   CA   sing N N 211 
LEU   N   H    sing N N 212 
LEU   N   H2   sing N N 213 
LEU   CA  C    sing N N 214 
LEU   CA  CB   sing N N 215 
LEU   CA  HA   sing N N 216 
LEU   C   O    doub N N 217 
LEU   C   OXT  sing N N 218 
LEU   CB  CG   sing N N 219 
LEU   CB  HB2  sing N N 220 
LEU   CB  HB3  sing N N 221 
LEU   CG  CD1  sing N N 222 
LEU   CG  CD2  sing N N 223 
LEU   CG  HG   sing N N 224 
LEU   CD1 HD11 sing N N 225 
LEU   CD1 HD12 sing N N 226 
LEU   CD1 HD13 sing N N 227 
LEU   CD2 HD21 sing N N 228 
LEU   CD2 HD22 sing N N 229 
LEU   CD2 HD23 sing N N 230 
LEU   OXT HXT  sing N N 231 
LYS   N   CA   sing N N 232 
LYS   N   H    sing N N 233 
LYS   N   H2   sing N N 234 
LYS   CA  C    sing N N 235 
LYS   CA  CB   sing N N 236 
LYS   CA  HA   sing N N 237 
LYS   C   O    doub N N 238 
LYS   C   OXT  sing N N 239 
LYS   CB  CG   sing N N 240 
LYS   CB  HB2  sing N N 241 
LYS   CB  HB3  sing N N 242 
LYS   CG  CD   sing N N 243 
LYS   CG  HG2  sing N N 244 
LYS   CG  HG3  sing N N 245 
LYS   CD  CE   sing N N 246 
LYS   CD  HD2  sing N N 247 
LYS   CD  HD3  sing N N 248 
LYS   CE  NZ   sing N N 249 
LYS   CE  HE2  sing N N 250 
LYS   CE  HE3  sing N N 251 
LYS   NZ  HZ1  sing N N 252 
LYS   NZ  HZ2  sing N N 253 
LYS   NZ  HZ3  sing N N 254 
LYS   OXT HXT  sing N N 255 
MET   N   CA   sing N N 256 
MET   N   H    sing N N 257 
MET   N   H2   sing N N 258 
MET   CA  C    sing N N 259 
MET   CA  CB   sing N N 260 
MET   CA  HA   sing N N 261 
MET   C   O    doub N N 262 
MET   C   OXT  sing N N 263 
MET   CB  CG   sing N N 264 
MET   CB  HB2  sing N N 265 
MET   CB  HB3  sing N N 266 
MET   CG  SD   sing N N 267 
MET   CG  HG2  sing N N 268 
MET   CG  HG3  sing N N 269 
MET   SD  CE   sing N N 270 
MET   CE  HE1  sing N N 271 
MET   CE  HE2  sing N N 272 
MET   CE  HE3  sing N N 273 
MET   OXT HXT  sing N N 274 
PHE   N   CA   sing N N 275 
PHE   N   H    sing N N 276 
PHE   N   H2   sing N N 277 
PHE   CA  C    sing N N 278 
PHE   CA  CB   sing N N 279 
PHE   CA  HA   sing N N 280 
PHE   C   O    doub N N 281 
PHE   C   OXT  sing N N 282 
PHE   CB  CG   sing N N 283 
PHE   CB  HB2  sing N N 284 
PHE   CB  HB3  sing N N 285 
PHE   CG  CD1  doub Y N 286 
PHE   CG  CD2  sing Y N 287 
PHE   CD1 CE1  sing Y N 288 
PHE   CD1 HD1  sing N N 289 
PHE   CD2 CE2  doub Y N 290 
PHE   CD2 HD2  sing N N 291 
PHE   CE1 CZ   doub Y N 292 
PHE   CE1 HE1  sing N N 293 
PHE   CE2 CZ   sing Y N 294 
PHE   CE2 HE2  sing N N 295 
PHE   CZ  HZ   sing N N 296 
PHE   OXT HXT  sing N N 297 
PRO   N   CA   sing N N 298 
PRO   N   CD   sing N N 299 
PRO   N   H    sing N N 300 
PRO   CA  C    sing N N 301 
PRO   CA  CB   sing N N 302 
PRO   CA  HA   sing N N 303 
PRO   C   O    doub N N 304 
PRO   C   OXT  sing N N 305 
PRO   CB  CG   sing N N 306 
PRO   CB  HB2  sing N N 307 
PRO   CB  HB3  sing N N 308 
PRO   CG  CD   sing N N 309 
PRO   CG  HG2  sing N N 310 
PRO   CG  HG3  sing N N 311 
PRO   CD  HD2  sing N N 312 
PRO   CD  HD3  sing N N 313 
PRO   OXT HXT  sing N N 314 
SER   N   CA   sing N N 315 
SER   N   H    sing N N 316 
SER   N   H2   sing N N 317 
SER   CA  C    sing N N 318 
SER   CA  CB   sing N N 319 
SER   CA  HA   sing N N 320 
SER   C   O    doub N N 321 
SER   C   OXT  sing N N 322 
SER   CB  OG   sing N N 323 
SER   CB  HB2  sing N N 324 
SER   CB  HB3  sing N N 325 
SER   OG  HG   sing N N 326 
SER   OXT HXT  sing N N 327 
SO4   S   O1   doub N N 328 
SO4   S   O2   doub N N 329 
SO4   S   O3   sing N N 330 
SO4   S   O4   sing N N 331 
THR   N   CA   sing N N 332 
THR   N   H    sing N N 333 
THR   N   H2   sing N N 334 
THR   CA  C    sing N N 335 
THR   CA  CB   sing N N 336 
THR   CA  HA   sing N N 337 
THR   C   O    doub N N 338 
THR   C   OXT  sing N N 339 
THR   CB  OG1  sing N N 340 
THR   CB  CG2  sing N N 341 
THR   CB  HB   sing N N 342 
THR   OG1 HG1  sing N N 343 
THR   CG2 HG21 sing N N 344 
THR   CG2 HG22 sing N N 345 
THR   CG2 HG23 sing N N 346 
THR   OXT HXT  sing N N 347 
TRP   N   CA   sing N N 348 
TRP   N   H    sing N N 349 
TRP   N   H2   sing N N 350 
TRP   CA  C    sing N N 351 
TRP   CA  CB   sing N N 352 
TRP   CA  HA   sing N N 353 
TRP   C   O    doub N N 354 
TRP   C   OXT  sing N N 355 
TRP   CB  CG   sing N N 356 
TRP   CB  HB2  sing N N 357 
TRP   CB  HB3  sing N N 358 
TRP   CG  CD1  doub Y N 359 
TRP   CG  CD2  sing Y N 360 
TRP   CD1 NE1  sing Y N 361 
TRP   CD1 HD1  sing N N 362 
TRP   CD2 CE2  doub Y N 363 
TRP   CD2 CE3  sing Y N 364 
TRP   NE1 CE2  sing Y N 365 
TRP   NE1 HE1  sing N N 366 
TRP   CE2 CZ2  sing Y N 367 
TRP   CE3 CZ3  doub Y N 368 
TRP   CE3 HE3  sing N N 369 
TRP   CZ2 CH2  doub Y N 370 
TRP   CZ2 HZ2  sing N N 371 
TRP   CZ3 CH2  sing Y N 372 
TRP   CZ3 HZ3  sing N N 373 
TRP   CH2 HH2  sing N N 374 
TRP   OXT HXT  sing N N 375 
TYR   N   CA   sing N N 376 
TYR   N   H    sing N N 377 
TYR   N   H2   sing N N 378 
TYR   CA  C    sing N N 379 
TYR   CA  CB   sing N N 380 
TYR   CA  HA   sing N N 381 
TYR   C   O    doub N N 382 
TYR   C   OXT  sing N N 383 
TYR   CB  CG   sing N N 384 
TYR   CB  HB2  sing N N 385 
TYR   CB  HB3  sing N N 386 
TYR   CG  CD1  doub Y N 387 
TYR   CG  CD2  sing Y N 388 
TYR   CD1 CE1  sing Y N 389 
TYR   CD1 HD1  sing N N 390 
TYR   CD2 CE2  doub Y N 391 
TYR   CD2 HD2  sing N N 392 
TYR   CE1 CZ   doub Y N 393 
TYR   CE1 HE1  sing N N 394 
TYR   CE2 CZ   sing Y N 395 
TYR   CE2 HE2  sing N N 396 
TYR   CZ  OH   sing N N 397 
TYR   OH  HH   sing N N 398 
TYR   OXT HXT  sing N N 399 
VAL   N   CA   sing N N 400 
VAL   N   H    sing N N 401 
VAL   N   H2   sing N N 402 
VAL   CA  C    sing N N 403 
VAL   CA  CB   sing N N 404 
VAL   CA  HA   sing N N 405 
VAL   C   O    doub N N 406 
VAL   C   OXT  sing N N 407 
VAL   CB  CG1  sing N N 408 
VAL   CB  CG2  sing N N 409 
VAL   CB  HB   sing N N 410 
VAL   CG1 HG11 sing N N 411 
VAL   CG1 HG12 sing N N 412 
VAL   CG1 HG13 sing N N 413 
VAL   CG2 HG21 sing N N 414 
VAL   CG2 HG22 sing N N 415 
VAL   CG2 HG23 sing N N 416 
VAL   OXT HXT  sing N N 417 
# 
_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                    7HM0 
_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]   0.021830 
_atom_sites.fract_transf_vector[1]      0.000000 
_atom_sites.fract_transf_vector[2]      0.000000 
_atom_sites.fract_transf_vector[3]      0.000000 
# 
loop_
_atom_type.symbol 
C 
N 
O 
S 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N   . HIS   A 1 2   ? -13.033 -13.134 -9.957  1.00 75.32 ? 8   HIS   B N   1 
ATOM   2    C CA  . HIS   A 1 2   ? -12.677 -13.622 -11.329 1.00 70.94 ? 8   HIS   B CA  1 
ATOM   3    C C   . HIS   A 1 2   ? -11.643 -12.679 -11.960 1.00 72.01 ? 8   HIS   B C   1 
ATOM   4    O O   . HIS   A 1 2   ? -11.691 -11.453 -11.685 1.00 78.54 ? 8   HIS   B O   1 
ATOM   5    C CB  . HIS   A 1 2   ? -13.938 -13.787 -12.202 1.00 63.37 ? 8   HIS   B CB  1 
ATOM   6    C CG  . HIS   A 1 2   ? -14.503 -12.515 -12.756 1.00 59.20 ? 8   HIS   B CG  1 
ATOM   7    N ND1 . HIS   A 1 2   ? -14.022 -11.934 -13.918 1.00 58.96 ? 8   HIS   B ND1 1 
ATOM   8    C CD2 . HIS   A 1 2   ? -15.516 -11.722 -12.337 1.00 56.10 ? 8   HIS   B CD2 1 
ATOM   9    C CE1 . HIS   A 1 2   ? -14.698 -10.830 -14.175 1.00 59.22 ? 8   HIS   B CE1 1 
ATOM   10   N NE2 . HIS   A 1 2   ? -15.626 -10.675 -13.224 1.00 53.57 ? 8   HIS   B NE2 1 
ATOM   11   N N   . HIS   A 1 3   ? -10.762 -13.235 -12.794 1.00 68.50 ? 9   HIS   B N   1 
ATOM   12   C CA  . HIS   A 1 3   ? -9.710  -12.502 -13.549 1.00 69.73 ? 9   HIS   B CA  1 
ATOM   13   C C   . HIS   A 1 3   ? -9.966  -12.644 -15.063 1.00 59.66 ? 9   HIS   B C   1 
ATOM   14   O O   . HIS   A 1 3   ? -8.983  -12.858 -15.798 1.00 60.24 ? 9   HIS   B O   1 
ATOM   15   C CB  . HIS   A 1 3   ? -8.326  -12.988 -13.067 1.00 77.52 ? 9   HIS   B CB  1 
ATOM   16   C CG  . HIS   A 1 3   ? -8.115  -12.842 -11.589 1.00 87.06 ? 9   HIS   B CG  1 
ATOM   17   N ND1 . HIS   A 1 3   ? -7.940  -11.607 -10.972 1.00 87.61 ? 9   HIS   B ND1 1 
ATOM   18   C CD2 . HIS   A 1 3   ? -8.058  -13.760 -10.596 1.00 90.67 ? 9   HIS   B CD2 1 
ATOM   19   C CE1 . HIS   A 1 3   ? -7.785  -11.775 -9.673  1.00 87.44 ? 9   HIS   B CE1 1 
ATOM   20   N NE2 . HIS   A 1 3   ? -7.850  -13.087 -9.417  1.00 90.83 ? 9   HIS   B NE2 1 
ATOM   21   N N   . HIS   A 1 4   ? -11.234 -12.501 -15.510 1.00 46.79 ? 10  HIS   B N   1 
ATOM   22   C CA  . HIS   A 1 4   ? -11.694 -12.659 -16.926 1.00 38.23 ? 10  HIS   B CA  1 
ATOM   23   C C   . HIS   A 1 4   ? -11.717 -11.304 -17.652 1.00 36.61 ? 10  HIS   B C   1 
ATOM   24   O O   . HIS   A 1 4   ? -11.855 -11.307 -18.897 1.00 34.77 ? 10  HIS   B O   1 
ATOM   25   C CB  . HIS   A 1 4   ? -13.096 -13.301 -17.005 1.00 36.88 ? 10  HIS   B CB  1 
ATOM   26   C CG  . HIS   A 1 4   ? -13.193 -14.666 -16.411 1.00 38.16 ? 10  HIS   B CG  1 
ATOM   27   N ND1 . HIS   A 1 4   ? -12.247 -15.667 -16.664 1.00 36.52 ? 10  HIS   B ND1 1 
ATOM   28   C CD2 . HIS   A 1 4   ? -14.122 -15.219 -15.601 1.00 36.42 ? 10  HIS   B CD2 1 
ATOM   29   C CE1 . HIS   A 1 4   ? -12.598 -16.771 -16.024 1.00 42.13 ? 10  HIS   B CE1 1 
ATOM   30   N NE2 . HIS   A 1 4   ? -13.753 -16.525 -15.370 1.00 39.53 ? 10  HIS   B NE2 1 
ATOM   31   N N   . HIS   A 1 5   ? -11.582 -10.190 -16.917 1.00 36.68 ? 11  HIS   B N   1 
ATOM   32   C CA  . HIS   A 1 5   ? -11.678 -8.795  -17.436 1.00 42.54 ? 11  HIS   B CA  1 
ATOM   33   C C   . HIS   A 1 5   ? -10.789 -8.605  -18.678 1.00 42.39 ? 11  HIS   B C   1 
ATOM   34   O O   . HIS   A 1 5   ? -11.237 -7.898  -19.614 1.00 45.11 ? 11  HIS   B O   1 
ATOM   35   C CB  . HIS   A 1 5   ? -11.354 -7.760  -16.339 1.00 50.89 ? 11  HIS   B CB  1 
ATOM   36   C CG  . HIS   A 1 5   ? -12.156 -7.922  -15.091 1.00 64.08 ? 11  HIS   B CG  1 
ATOM   37   N ND1 . HIS   A 1 5   ? -11.640 -8.535  -13.950 1.00 76.27 ? 11  HIS   B ND1 1 
ATOM   38   C CD2 . HIS   A 1 5   ? -13.431 -7.579  -14.793 1.00 70.89 ? 11  HIS   B CD2 1 
ATOM   39   C CE1 . HIS   A 1 5   ? -12.564 -8.553  -13.006 1.00 77.39 ? 11  HIS   B CE1 1 
ATOM   40   N NE2 . HIS   A 1 5   ? -13.675 -7.974  -13.498 1.00 73.12 ? 11  HIS   B NE2 1 
ATOM   41   N N   . HIS   A 1 6   ? -9.605  -9.235  -18.718 1.00 40.66 ? 12  HIS   B N   1 
ATOM   42   C CA  . HIS   A 1 6   ? -8.605  -9.094  -19.815 1.00 40.61 ? 12  HIS   B CA  1 
ATOM   43   C C   . HIS   A 1 6   ? -9.057  -9.782  -21.111 1.00 37.86 ? 12  HIS   B C   1 
ATOM   44   O O   . HIS   A 1 6   ? -8.378  -9.560  -22.124 1.00 39.80 ? 12  HIS   B O   1 
ATOM   45   C CB  . HIS   A 1 6   ? -7.221  -9.602  -19.376 1.00 47.89 ? 12  HIS   B CB  1 
ATOM   46   C CG  . HIS   A 1 6   ? -7.126  -11.072 -19.144 1.00 48.52 ? 12  HIS   B CG  1 
ATOM   47   N ND1 . HIS   A 1 6   ? -6.458  -11.916 -20.017 1.00 56.49 ? 12  HIS   B ND1 1 
ATOM   48   C CD2 . HIS   A 1 6   ? -7.568  -11.849 -18.131 1.00 52.48 ? 12  HIS   B CD2 1 
ATOM   49   C CE1 . HIS   A 1 6   ? -6.515  -13.156 -19.565 1.00 49.33 ? 12  HIS   B CE1 1 
ATOM   50   N NE2 . HIS   A 1 6   ? -7.189  -13.143 -18.406 1.00 56.58 ? 12  HIS   B NE2 1 
ATOM   51   N N   . HIS   A 1 7   ? -10.145 -10.573 -21.117 1.00 31.95 ? 13  HIS   B N   1 
ATOM   52   C CA  . HIS   A 1 7   ? -10.748 -11.111 -22.377 1.00 28.72 ? 13  HIS   B CA  1 
ATOM   53   C C   . HIS   A 1 7   ? -11.868 -10.195 -22.860 1.00 26.22 ? 13  HIS   B C   1 
ATOM   54   O O   . HIS   A 1 7   ? -12.703 -10.662 -23.676 1.00 23.50 ? 13  HIS   B O   1 
ATOM   55   C CB  . HIS   A 1 7   ? -11.289 -12.523 -22.200 1.00 27.23 ? 13  HIS   B CB  1 
ATOM   56   C CG  . HIS   A 1 7   ? -10.235 -13.486 -21.781 1.00 29.51 ? 13  HIS   B CG  1 
ATOM   57   N ND1 . HIS   A 1 7   ? -9.185  -13.818 -22.623 1.00 27.10 ? 13  HIS   B ND1 1 
ATOM   58   C CD2 . HIS   A 1 7   ? -10.067 -14.175 -20.636 1.00 28.05 ? 13  HIS   B CD2 1 
ATOM   59   C CE1 . HIS   A 1 7   ? -8.402  -14.675 -22.004 1.00 29.43 ? 13  HIS   B CE1 1 
ATOM   60   N NE2 . HIS   A 1 7   ? -8.895  -14.887 -20.768 1.00 30.15 ? 13  HIS   B NE2 1 
ATOM   61   N N   . MET   A 1 8   ? -11.900 -8.957  -22.365 1.00 26.35 ? 14  MET   B N   1 
ATOM   62   C CA  . MET   A 1 8   ? -12.960 -7.961  -22.687 1.00 29.71 ? 14  MET   B CA  1 
ATOM   63   C C   . MET   A 1 8   ? -13.075 -7.799  -24.209 1.00 29.28 ? 14  MET   B C   1 
ATOM   64   O O   . MET   A 1 8   ? -12.053 -7.638  -24.887 1.00 30.60 ? 14  MET   B O   1 
ATOM   65   C CB  . MET   A 1 8   ? -12.631 -6.611  -22.040 1.00 36.82 ? 14  MET   B CB  1 
ATOM   66   C CG  . MET   A 1 8   ? -13.648 -5.495  -22.287 1.00 40.36 ? 14  MET   B CG  1 
ATOM   67   S SD  . MET   A 1 8   ? -15.276 -5.692  -21.447 1.00 49.97 ? 14  MET   B SD  1 
ATOM   68   C CE  . MET   A 1 8   ? -14.918 -5.046  -19.815 1.00 41.83 ? 14  MET   B CE  1 
ATOM   69   N N   . VAL   A 1 9   ? -14.290 -7.826  -24.737 1.00 23.59 ? 15  VAL   B N   1 
ATOM   70   C CA  . VAL   A 1 9   ? -14.548 -7.578  -26.182 1.00 24.23 ? 15  VAL   B CA  1 
ATOM   71   C C   . VAL   A 1 9   ? -15.552 -6.415  -26.287 1.00 27.26 ? 15  VAL   B C   1 
ATOM   72   O O   . VAL   A 1 9   ? -16.389 -6.245  -25.376 1.00 24.86 ? 15  VAL   B O   1 
ATOM   73   C CB  . VAL   A 1 9   ? -15.030 -8.844  -26.926 1.00 27.58 ? 15  VAL   B CB  1 
ATOM   74   C CG1 . VAL   A 1 9   ? -13.947 -9.911  -26.931 1.00 30.01 ? 15  VAL   B CG1 1 
ATOM   75   C CG2 . VAL   A 1 9   ? -16.321 -9.393  -26.346 1.00 27.93 ? 15  VAL   B CG2 1 
ATOM   76   N N   . HIS   A 1 10  ? -15.482 -5.654  -27.378 1.00 27.74 ? 16  HIS   B N   1 
ATOM   77   C CA  . HIS   A 1 10  ? -16.357 -4.481  -27.617 1.00 27.32 ? 16  HIS   B CA  1 
ATOM   78   C C   . HIS   A 1 10  ? -17.598 -4.981  -28.356 1.00 25.70 ? 16  HIS   B C   1 
ATOM   79   O O   . HIS   A 1 10  ? -17.496 -5.356  -29.527 1.00 27.79 ? 16  HIS   B O   1 
ATOM   80   C CB  . HIS   A 1 10  ? -15.601 -3.410  -28.391 1.00 29.02 ? 16  HIS   B CB  1 
ATOM   81   C CG  . HIS   A 1 10  ? -16.380 -2.153  -28.610 1.00 33.79 ? 16  HIS   B CG  1 
ATOM   82   N ND1 . HIS   A 1 10  ? -16.507 -1.173  -27.634 1.00 35.74 ? 16  HIS   B ND1 1 
ATOM   83   C CD2 . HIS   A 1 10  ? -17.063 -1.704  -29.691 1.00 37.40 ? 16  HIS   B CD2 1 
ATOM   84   C CE1 . HIS   A 1 10  ? -17.227 -0.167  -28.105 1.00 34.57 ? 16  HIS   B CE1 1 
ATOM   85   N NE2 . HIS   A 1 10  ? -17.584 -0.467  -29.377 1.00 39.37 ? 16  HIS   B NE2 1 
ATOM   86   N N   . ILE   A 1 11  ? -18.721 -5.102  -27.653 1.00 20.56 ? 17  ILE   B N   1 
ATOM   87   C CA  . ILE   A 1 11  ? -19.990 -5.598  -28.248 1.00 22.09 ? 17  ILE   B CA  1 
ATOM   88   C C   . ILE   A 1 11  ? -20.791 -4.397  -28.770 1.00 20.71 ? 17  ILE   B C   1 
ATOM   89   O O   . ILE   A 1 11  ? -20.788 -3.364  -28.135 1.00 20.03 ? 17  ILE   B O   1 
ATOM   90   C CB  . ILE   A 1 11  ? -20.808 -6.415  -27.232 1.00 20.79 ? 17  ILE   B CB  1 
ATOM   91   C CG1 . ILE   A 1 11  ? -20.020 -7.616  -26.695 1.00 22.92 ? 17  ILE   B CG1 1 
ATOM   92   C CG2 . ILE   A 1 11  ? -22.147 -6.801  -27.838 1.00 19.64 ? 17  ILE   B CG2 1 
ATOM   93   C CD1 . ILE   A 1 11  ? -19.429 -8.546  -27.750 1.00 23.40 ? 17  ILE   B CD1 1 
ATOM   94   N N   . THR   A 1 12  ? -21.417 -4.577  -29.925 1.00 20.93 ? 18  THR   B N   1 
ATOM   95   C CA  . THR   A 1 12  ? -22.395 -3.617  -30.506 1.00 21.47 ? 18  THR   B CA  1 
ATOM   96   C C   . THR   A 1 12  ? -23.648 -4.389  -30.916 1.00 21.93 ? 18  THR   B C   1 
ATOM   97   O O   . THR   A 1 12  ? -23.573 -5.613  -31.194 1.00 21.99 ? 18  THR   B O   1 
ATOM   98   C CB  . THR   A 1 12  ? -21.766 -2.815  -31.655 1.00 23.02 ? 18  THR   B CB  1 
ATOM   99   O OG1 . THR   A 1 12  ? -21.442 -3.733  -32.688 1.00 23.97 ? 18  THR   B OG1 1 
ATOM   100  C CG2 . THR   A 1 12  ? -20.557 -2.000  -31.237 1.00 26.33 ? 18  THR   B CG2 1 
ATOM   101  N N   . LEU   A 1 13  ? -24.793 -3.718  -30.894 1.00 19.47 ? 19  LEU   B N   1 
ATOM   102  C CA  . LEU   A 1 13  ? -26.104 -4.336  -31.175 1.00 20.79 ? 19  LEU   B CA  1 
ATOM   103  C C   . LEU   A 1 13  ? -26.380 -4.307  -32.680 1.00 21.27 ? 19  LEU   B C   1 
ATOM   104  O O   . LEU   A 1 13  ? -26.051 -3.289  -33.324 1.00 21.62 ? 19  LEU   B O   1 
ATOM   105  C CB  . LEU   A 1 13  ? -27.154 -3.577  -30.365 1.00 20.44 ? 19  LEU   B CB  1 
ATOM   106  C CG  . LEU   A 1 13  ? -26.912 -3.590  -28.861 1.00 21.81 ? 19  LEU   B CG  1 
ATOM   107  C CD1 . LEU   A 1 13  ? -27.863 -2.689  -28.089 1.00 23.80 ? 19  LEU   B CD1 1 
ATOM   108  C CD2 . LEU   A 1 13  ? -26.999 -5.031  -28.348 1.00 21.15 ? 19  LEU   B CD2 1 
ATOM   109  N N   . ASP   A 1 14  ? -26.982 -5.367  -33.184 1.00 19.96 ? 20  ASP   B N   1 
ATOM   110  C CA  . ASP   A 1 14  ? -27.341 -5.544  -34.617 1.00 19.86 ? 20  ASP   B CA  1 
ATOM   111  C C   . ASP   A 1 14  ? -28.820 -5.129  -34.785 1.00 20.49 ? 20  ASP   B C   1 
ATOM   112  O O   . ASP   A 1 14  ? -29.725 -5.927  -34.495 1.00 20.11 ? 20  ASP   B O   1 
ATOM   113  C CB  . ASP   A 1 14  ? -27.052 -6.974  -35.086 1.00 19.93 ? 20  ASP   B CB  1 
ATOM   114  C CG  . ASP   A 1 14  ? -27.396 -7.248  -36.550 1.00 25.98 ? 20  ASP   B CG  1 
ATOM   115  O OD1 . ASP   A 1 14  ? -28.025 -6.370  -37.171 1.00 25.51 ? 20  ASP   B OD1 1 
ATOM   116  O OD2 . ASP   A 1 14  ? -27.051 -8.353  -37.058 1.00 25.07 ? 20  ASP   B OD2 1 
ATOM   117  N N   A ARG   A 1 15  ? -29.033 -3.880  -35.226 0.25 21.15 ? 21  ARG   B N   1 
ATOM   118  N N   B ARG   A 1 15  ? -29.050 -3.899  -35.257 0.25 22.48 ? 21  ARG   B N   1 
ATOM   119  C CA  A ARG   A 1 15  ? -30.373 -3.283  -35.504 0.25 23.41 ? 21  ARG   B CA  1 
ATOM   120  C CA  B ARG   A 1 15  ? -30.410 -3.314  -35.421 0.25 25.67 ? 21  ARG   B CA  1 
ATOM   121  C C   A ARG   A 1 15  ? -31.271 -4.356  -36.161 0.25 22.52 ? 21  ARG   B C   1 
ATOM   122  C C   B ARG   A 1 15  ? -31.309 -4.288  -36.224 0.25 24.44 ? 21  ARG   B C   1 
ATOM   123  O O   A ARG   A 1 15  ? -32.499 -4.507  -35.719 0.25 22.54 ? 21  ARG   B O   1 
ATOM   124  O O   B ARG   A 1 15  ? -32.566 -4.393  -35.874 0.25 26.24 ? 21  ARG   B O   1 
ATOM   125  C CB  A ARG   A 1 15  ? -30.232 -2.032  -36.385 0.25 24.42 ? 21  ARG   B CB  1 
ATOM   126  C CB  B ARG   A 1 15  ? -30.321 -1.918  -36.055 0.25 28.68 ? 21  ARG   B CB  1 
ATOM   127  C CG  A ARG   A 1 15  ? -29.490 -0.890  -35.703 0.25 26.54 ? 21  ARG   B CG  1 
ATOM   128  C CG  B ARG   A 1 15  ? -29.737 -0.852  -35.136 0.25 32.21 ? 21  ARG   B CG  1 
ATOM   129  C CD  A ARG   A 1 15  ? -29.412 0.392   -36.523 0.25 26.31 ? 21  ARG   B CD  1 
ATOM   130  C CD  B ARG   A 1 15  ? -28.271 -0.554  -35.421 0.25 36.42 ? 21  ARG   B CD  1 
ATOM   131  N NE  A ARG   A 1 15  ? -28.805 1.443   -35.718 0.25 25.70 ? 21  ARG   B NE  1 
ATOM   132  N NE  B ARG   A 1 15  ? -28.059 0.338   -36.562 0.25 38.51 ? 21  ARG   B NE  1 
ATOM   133  C CZ  A ARG   A 1 15  ? -29.445 2.092   -34.762 0.25 25.52 ? 21  ARG   B CZ  1 
ATOM   134  C CZ  B ARG   A 1 15  ? -27.478 -0.014  -37.708 0.25 41.21 ? 21  ARG   B CZ  1 
ATOM   135  N NH1 A ARG   A 1 15  ? -30.707 1.801   -34.522 0.25 26.38 ? 21  ARG   B NH1 1 
ATOM   136  N NH1 B ARG   A 1 15  ? -27.037 -1.248  -37.887 0.25 43.78 ? 21  ARG   B NH1 1 
ATOM   137  N NH2 A ARG   A 1 15  ? -28.830 3.013   -34.048 0.25 26.50 ? 21  ARG   B NH2 1 
ATOM   138  N NH2 B ARG   A 1 15  ? -27.330 0.875   -38.670 0.25 42.40 ? 21  ARG   B NH2 1 
ATOM   139  N N   . ASN   A 1 16  ? -30.704 -4.979  -37.237 1.00 23.82 ? 22  ASN   B N   1 
ATOM   140  C CA  . ASN   A 1 16  ? -31.494 -5.827  -38.161 1.00 23.46 ? 22  ASN   B CA  1 
ATOM   141  C C   . ASN   A 1 16  ? -32.166 -7.010  -37.449 1.00 21.25 ? 22  ASN   B C   1 
ATOM   142  O O   . ASN   A 1 16  ? -33.195 -7.499  -37.968 1.00 20.37 ? 22  ASN   B O   1 
ATOM   143  C CB  . ASN   A 1 16  ? -30.624 -6.228  -39.358 1.00 28.07 ? 22  ASN   B CB  1 
ATOM   144  C CG  . ASN   A 1 16  ? -30.488 -5.072  -40.333 1.00 34.23 ? 22  ASN   B CG  1 
ATOM   145  O OD1 . ASN   A 1 16  ? -31.277 -4.122  -40.310 1.00 42.52 ? 22  ASN   B OD1 1 
ATOM   146  N ND2 . ASN   A 1 16  ? -29.478 -5.127  -41.182 1.00 44.43 ? 22  ASN   B ND2 1 
ATOM   147  N N   . THR   A 1 17  ? -31.656 -7.429  -36.283 1.00 17.23 ? 23  THR   B N   1 
ATOM   148  C CA  . THR   A 1 17  ? -32.194 -8.553  -35.499 1.00 18.96 ? 23  THR   B CA  1 
ATOM   149  C C   . THR   A 1 17  ? -33.242 -8.046  -34.494 1.00 17.66 ? 23  THR   B C   1 
ATOM   150  O O   . THR   A 1 17  ? -33.882 -8.876  -33.864 1.00 18.16 ? 23  THR   B O   1 
ATOM   151  C CB  . THR   A 1 17  ? -31.097 -9.332  -34.756 1.00 19.50 ? 23  THR   B CB  1 
ATOM   152  O OG1 . THR   A 1 17  ? -30.570 -8.453  -33.764 1.00 18.09 ? 23  THR   B OG1 1 
ATOM   153  C CG2 . THR   A 1 17  ? -30.050 -9.876  -35.706 1.00 20.08 ? 23  THR   B CG2 1 
ATOM   154  N N   . ALA   A 1 18  ? -33.333 -6.735  -34.264 1.00 17.50 ? 24  ALA   B N   1 
ATOM   155  C CA  . ALA   A 1 18  ? -34.131 -6.205  -33.140 1.00 16.51 ? 24  ALA   B CA  1 
ATOM   156  C C   . ALA   A 1 18  ? -35.626 -6.384  -33.428 1.00 17.45 ? 24  ALA   B C   1 
ATOM   157  O O   . ALA   A 1 18  ? -36.086 -6.074  -34.536 1.00 17.59 ? 24  ALA   B O   1 
ATOM   158  C CB  . ALA   A 1 18  ? -33.822 -4.748  -32.925 1.00 17.64 ? 24  ALA   B CB  1 
ATOM   159  N N   . ASN   A 1 19  ? -36.387 -6.714  -32.403 1.00 17.50 ? 25  ASN   B N   1 
ATOM   160  C CA  . ASN   A 1 19  ? -37.842 -6.507  -32.403 1.00 15.93 ? 25  ASN   B CA  1 
ATOM   161  C C   . ASN   A 1 19  ? -38.133 -5.064  -32.855 1.00 15.33 ? 25  ASN   B C   1 
ATOM   162  O O   . ASN   A 1 19  ? -37.449 -4.119  -32.474 1.00 16.46 ? 25  ASN   B O   1 
ATOM   163  C CB  . ASN   A 1 19  ? -38.367 -6.828  -30.994 1.00 16.82 ? 25  ASN   B CB  1 
ATOM   164  C CG  . ASN   A 1 19  ? -39.850 -6.600  -30.874 1.00 20.18 ? 25  ASN   B CG  1 
ATOM   165  O OD1 . ASN   A 1 19  ? -40.281 -5.484  -30.643 1.00 19.24 ? 25  ASN   B OD1 1 
ATOM   166  N ND2 . ASN   A 1 19  ? -40.613 -7.660  -30.993 1.00 23.39 ? 25  ASN   B ND2 1 
ATOM   167  N N   . SER   A 1 20  ? -39.245 -4.889  -33.556 1.00 15.92 ? 26  SER   B N   1 
ATOM   168  C CA  . SER   A 1 20  ? -39.582 -3.620  -34.240 1.00 17.40 ? 26  SER   B CA  1 
ATOM   169  C C   . SER   A 1 20  ? -39.933 -2.502  -33.249 1.00 16.81 ? 26  SER   B C   1 
ATOM   170  O O   . SER   A 1 20  ? -40.008 -1.332  -33.694 1.00 18.61 ? 26  SER   B O   1 
ATOM   171  C CB  . SER   A 1 20  ? -40.694 -3.866  -35.234 1.00 20.28 ? 26  SER   B CB  1 
ATOM   172  O OG  . SER   A 1 20  ? -41.851 -4.197  -34.489 1.00 24.07 ? 26  SER   B OG  1 
ATOM   173  N N   . TRP   A 1 21  ? -40.126 -2.790  -31.962 1.00 16.65 ? 27  TRP   B N   1 
ATOM   174  C CA  . TRP   A 1 21  ? -40.414 -1.768  -30.931 1.00 15.95 ? 27  TRP   B CA  1 
ATOM   175  C C   . TRP   A 1 21  ? -39.148 -1.306  -30.225 1.00 16.62 ? 27  TRP   B C   1 
ATOM   176  O O   . TRP   A 1 21  ? -39.250 -0.319  -29.473 1.00 16.54 ? 27  TRP   B O   1 
ATOM   177  C CB  . TRP   A 1 21  ? -41.431 -2.255  -29.929 1.00 17.12 ? 27  TRP   B CB  1 
ATOM   178  C CG  . TRP   A 1 21  ? -42.818 -2.355  -30.472 1.00 18.72 ? 27  TRP   B CG  1 
ATOM   179  C CD1 . TRP   A 1 21  ? -43.214 -2.907  -31.661 1.00 20.38 ? 27  TRP   B CD1 1 
ATOM   180  C CD2 . TRP   A 1 21  ? -44.001 -1.963  -29.783 1.00 21.06 ? 27  TRP   B CD2 1 
ATOM   181  N NE1 . TRP   A 1 21  ? -44.583 -2.846  -31.772 1.00 23.60 ? 27  TRP   B NE1 1 
ATOM   182  C CE2 . TRP   A 1 21  ? -45.087 -2.295  -30.618 1.00 21.37 ? 27  TRP   B CE2 1 
ATOM   183  C CE3 . TRP   A 1 21  ? -44.219 -1.302  -28.574 1.00 22.24 ? 27  TRP   B CE3 1 
ATOM   184  C CZ2 . TRP   A 1 21  ? -46.401 -2.012  -30.242 1.00 25.15 ? 27  TRP   B CZ2 1 
ATOM   185  C CZ3 . TRP   A 1 21  ? -45.523 -1.042  -28.194 1.00 22.72 ? 27  TRP   B CZ3 1 
ATOM   186  C CH2 . TRP   A 1 21  ? -46.584 -1.401  -29.019 1.00 23.73 ? 27  TRP   B CH2 1 
ATOM   187  N N   . LEU   A 1 22  ? -37.964 -1.850  -30.551 1.00 17.04 ? 28  LEU   B N   1 
ATOM   188  C CA  . LEU   A 1 22  ? -36.741 -1.450  -29.822 1.00 17.94 ? 28  LEU   B CA  1 
ATOM   189  C C   . LEU   A 1 22  ? -36.143 -0.198  -30.476 1.00 19.19 ? 28  LEU   B C   1 
ATOM   190  O O   . LEU   A 1 22  ? -36.183 -0.034  -31.733 1.00 17.07 ? 28  LEU   B O   1 
ATOM   191  C CB  . LEU   A 1 22  ? -35.717 -2.591  -29.788 1.00 16.27 ? 28  LEU   B CB  1 
ATOM   192  C CG  . LEU   A 1 22  ? -36.164 -3.874  -29.095 1.00 17.49 ? 28  LEU   B CG  1 
ATOM   193  C CD1 . LEU   A 1 22  ? -35.058 -4.900  -29.091 1.00 18.96 ? 28  LEU   B CD1 1 
ATOM   194  C CD2 . LEU   A 1 22  ? -36.612 -3.601  -27.682 1.00 16.91 ? 28  LEU   B CD2 1 
ATOM   195  N N   . ILE   A 1 23  ? -35.500 0.584   -29.642 1.00 18.73 ? 29  ILE   B N   1 
ATOM   196  C CA  . ILE   A 1 23  ? -34.746 1.796   -30.011 1.00 17.28 ? 29  ILE   B CA  1 
ATOM   197  C C   . ILE   A 1 23  ? -33.312 1.541   -29.560 1.00 18.12 ? 29  ILE   B C   1 
ATOM   198  O O   . ILE   A 1 23  ? -33.056 1.446   -28.331 1.00 18.11 ? 29  ILE   B O   1 
ATOM   199  C CB  . ILE   A 1 23  ? -35.324 3.051   -29.351 1.00 19.53 ? 29  ILE   B CB  1 
ATOM   200  C CG1 . ILE   A 1 23  ? -36.818 3.256   -29.677 1.00 19.96 ? 29  ILE   B CG1 1 
ATOM   201  C CG2 . ILE   A 1 23  ? -34.465 4.246   -29.752 1.00 21.65 ? 29  ILE   B CG2 1 
ATOM   202  C CD1 . ILE   A 1 23  ? -37.475 4.289   -28.847 1.00 20.55 ? 29  ILE   B CD1 1 
ATOM   203  N N   . ILE   A 1 24  ? -32.434 1.451   -30.534 1.00 20.36 ? 30  ILE   B N   1 
ATOM   204  C CA  . ILE   A 1 24  ? -30.970 1.275   -30.334 1.00 21.89 ? 30  ILE   B CA  1 
ATOM   205  C C   . ILE   A 1 24  ? -30.287 2.621   -30.517 1.00 24.70 ? 30  ILE   B C   1 
ATOM   206  O O   . ILE   A 1 24  ? -30.576 3.353   -31.519 1.00 23.04 ? 30  ILE   B O   1 
ATOM   207  C CB  . ILE   A 1 24  ? -30.434 0.202   -31.269 1.00 21.59 ? 30  ILE   B CB  1 
ATOM   208  C CG1 . ILE   A 1 24  ? -30.962 -1.160  -30.841 1.00 24.28 ? 30  ILE   B CG1 1 
ATOM   209  C CG2 . ILE   A 1 24  ? -28.892 0.221   -31.292 1.00 21.59 ? 30  ILE   B CG2 1 
ATOM   210  C CD1 . ILE   A 1 24  ? -30.821 -2.149  -31.846 1.00 24.82 ? 30  ILE   B CD1 1 
ATOM   211  N N   . SER   A 1 25  ? -29.370 2.942   -29.611 1.00 22.41 ? 31  SER   B N   1 
ATOM   212  C CA  . SER   A 1 25  ? -28.686 4.248   -29.624 1.00 21.83 ? 31  SER   B CA  1 
ATOM   213  C C   . SER   A 1 25  ? -27.784 4.336   -30.871 1.00 21.75 ? 31  SER   B C   1 
ATOM   214  O O   . SER   A 1 25  ? -27.449 3.312   -31.473 1.00 21.91 ? 31  SER   B O   1 
ATOM   215  C CB  . SER   A 1 25  ? -27.892 4.409   -28.360 1.00 23.76 ? 31  SER   B CB  1 
ATOM   216  O OG  . SER   A 1 25  ? -26.968 3.348   -28.297 1.00 23.47 ? 31  SER   B OG  1 
ATOM   217  N N   . LYS   A 1 26  ? -27.403 5.560   -31.261 1.00 23.80 ? 32  LYS   B N   1 
ATOM   218  C CA  . LYS   A 1 26  ? -26.524 5.791   -32.428 1.00 26.82 ? 32  LYS   B CA  1 
ATOM   219  C C   . LYS   A 1 26  ? -25.223 4.988   -32.300 1.00 24.45 ? 32  LYS   B C   1 
ATOM   220  O O   . LYS   A 1 26  ? -24.775 4.489   -33.341 1.00 27.26 ? 32  LYS   B O   1 
ATOM   221  C CB  . LYS   A 1 26  ? -26.228 7.292   -32.526 1.00 28.05 ? 32  LYS   B CB  1 
ATOM   222  C CG  . LYS   A 1 26  ? -25.269 7.646   -33.642 1.00 33.68 ? 32  LYS   B CG  1 
ATOM   223  C CD  . LYS   A 1 26  ? -25.284 9.123   -33.934 1.00 36.43 ? 32  LYS   B CD  1 
ATOM   224  C CE  . LYS   A 1 26  ? -24.972 9.935   -32.697 1.00 39.30 ? 32  LYS   B CE  1 
ATOM   225  N NZ  . LYS   A 1 26  ? -25.300 11.352  -32.908 1.00 43.68 ? 32  LYS   B NZ  1 
ATOM   226  N N   . ASP   A 1 27  ? -24.645 4.878   -31.095 1.00 27.41 ? 33  ASP   B N   1 
ATOM   227  C CA  . ASP   A 1 27  ? -23.346 4.158   -30.897 1.00 24.97 ? 33  ASP   B CA  1 
ATOM   228  C C   . ASP   A 1 27  ? -23.566 2.627   -30.875 1.00 24.07 ? 33  ASP   B C   1 
ATOM   229  O O   . ASP   A 1 27  ? -22.576 1.892   -30.742 1.00 22.91 ? 33  ASP   B O   1 
ATOM   230  C CB  . ASP   A 1 27  ? -22.605 4.705   -29.672 1.00 26.21 ? 33  ASP   B CB  1 
ATOM   231  C CG  . ASP   A 1 27  ? -23.270 4.413   -28.332 1.00 27.26 ? 33  ASP   B CG  1 
ATOM   232  O OD1 . ASP   A 1 27  ? -24.351 3.737   -28.320 1.00 27.73 ? 33  ASP   B OD1 1 
ATOM   233  O OD2 . ASP   A 1 27  ? -22.705 4.867   -27.303 1.00 32.57 ? 33  ASP   B OD2 1 
ATOM   234  N N   . ARG   A 1 28  ? -24.810 2.158   -30.951 1.00 21.66 ? 34  ARG   B N   1 
ATOM   235  C CA  . ARG   A 1 28  ? -25.181 0.714   -30.943 1.00 21.54 ? 34  ARG   B CA  1 
ATOM   236  C C   . ARG   A 1 28  ? -24.729 0.041   -29.626 1.00 18.39 ? 34  ARG   B C   1 
ATOM   237  O O   . ARG   A 1 28  ? -24.574 -1.201  -29.599 1.00 20.19 ? 34  ARG   B O   1 
ATOM   238  C CB  . ARG   A 1 28  ? -24.695 0.040   -32.231 1.00 27.01 ? 34  ARG   B CB  1 
ATOM   239  C CG  . ARG   A 1 28  ? -25.332 0.663   -33.471 1.00 30.09 ? 34  ARG   B CG  1 
ATOM   240  C CD  . ARG   A 1 28  ? -24.971 0.021   -34.782 1.00 38.64 ? 34  ARG   B CD  1 
ATOM   241  N NE  . ARG   A 1 28  ? -23.536 -0.105  -34.948 1.00 48.40 ? 34  ARG   B NE  1 
ATOM   242  C CZ  . ARG   A 1 28  ? -22.828 -1.239  -34.820 1.00 63.22 ? 34  ARG   B CZ  1 
ATOM   243  N NH1 . ARG   A 1 28  ? -23.414 -2.401  -34.527 1.00 60.67 ? 34  ARG   B NH1 1 
ATOM   244  N NH2 . ARG   A 1 28  ? -21.514 -1.200  -35.006 1.00 66.31 ? 34  ARG   B NH2 1 
ATOM   245  N N   . ARG   A 1 29  ? -24.679 0.787   -28.530 1.00 19.20 ? 35  ARG   B N   1 
ATOM   246  C CA  . ARG   A 1 29  ? -24.303 0.252   -27.198 1.00 20.99 ? 35  ARG   B CA  1 
ATOM   247  C C   . ARG   A 1 29  ? -25.456 0.289   -26.193 1.00 20.68 ? 35  ARG   B C   1 
ATOM   248  O O   . ARG   A 1 29  ? -25.257 -0.239  -25.072 1.00 20.57 ? 35  ARG   B O   1 
ATOM   249  C CB  . ARG   A 1 29  ? -23.109 1.023   -26.643 1.00 22.63 ? 35  ARG   B CB  1 
ATOM   250  C CG  . ARG   A 1 29  ? -21.916 0.911   -27.581 1.00 24.82 ? 35  ARG   B CG  1 
ATOM   251  C CD  . ARG   A 1 29  ? -21.016 -0.252  -27.296 1.00 26.98 ? 35  ARG   B CD  1 
ATOM   252  N NE  . ARG   A 1 29  ? -20.242 -0.031  -26.069 1.00 29.02 ? 35  ARG   B NE  1 
ATOM   253  C CZ  . ARG   A 1 29  ? -19.514 -0.983  -25.493 1.00 28.17 ? 35  ARG   B CZ  1 
ATOM   254  N NH1 . ARG   A 1 29  ? -19.474 -2.176  -26.051 1.00 27.19 ? 35  ARG   B NH1 1 
ATOM   255  N NH2 . ARG   A 1 29  ? -18.830 -0.746  -24.386 1.00 25.72 ? 35  ARG   B NH2 1 
ATOM   256  N N   . GLN   A 1 30  ? -26.609 0.855   -26.542 1.00 18.44 ? 36  GLN   B N   1 
ATOM   257  C CA  . GLN   A 1 30  ? -27.779 0.889   -25.638 1.00 17.17 ? 36  GLN   B CA  1 
ATOM   258  C C   . GLN   A 1 30  ? -29.051 0.524   -26.392 1.00 16.89 ? 36  GLN   B C   1 
ATOM   259  O O   . GLN   A 1 30  ? -29.157 0.782   -27.630 1.00 18.49 ? 36  GLN   B O   1 
ATOM   260  C CB  . GLN   A 1 30  ? -28.025 2.279   -25.029 1.00 20.31 ? 36  GLN   B CB  1 
ATOM   261  C CG  . GLN   A 1 30  ? -26.793 2.899   -24.459 1.00 24.95 ? 36  GLN   B CG  1 
ATOM   262  C CD  . GLN   A 1 30  ? -27.146 4.123   -23.651 1.00 28.00 ? 36  GLN   B CD  1 
ATOM   263  O OE1 . GLN   A 1 30  ? -28.285 4.337   -23.236 1.00 30.59 ? 36  GLN   B OE1 1 
ATOM   264  N NE2 . GLN   A 1 30  ? -26.125 4.895   -23.389 1.00 31.75 ? 36  GLN   B NE2 1 
ATOM   265  N N   . VAL   A 1 31  ? -29.968 -0.110  -25.660 1.00 16.07 ? 37  VAL   B N   1 
ATOM   266  C CA  . VAL   A 1 31  ? -31.264 -0.500  -26.274 1.00 16.56 ? 37  VAL   B CA  1 
ATOM   267  C C   . VAL   A 1 31  ? -32.339 -0.306  -25.214 1.00 16.65 ? 37  VAL   B C   1 
ATOM   268  O O   . VAL   A 1 31  ? -32.148 -0.702  -24.061 1.00 17.21 ? 37  VAL   B O   1 
ATOM   269  C CB  . VAL   A 1 31  ? -31.230 -1.914  -26.895 1.00 15.43 ? 37  VAL   B CB  1 
ATOM   270  C CG1 . VAL   A 1 31  ? -30.788 -3.026  -25.939 1.00 15.70 ? 37  VAL   B CG1 1 
ATOM   271  C CG2 . VAL   A 1 31  ? -32.569 -2.271  -27.524 1.00 17.31 ? 37  VAL   B CG2 1 
ATOM   272  N N   . ARG   A 1 32  ? -33.500 0.149   -25.662 1.00 16.54 ? 38  ARG   B N   1 
ATOM   273  C CA  . ARG   A 1 32  ? -34.687 0.233   -24.793 1.00 16.94 ? 38  ARG   B CA  1 
ATOM   274  C C   . ARG   A 1 32  ? -35.945 -0.046  -25.606 1.00 17.83 ? 38  ARG   B C   1 
ATOM   275  O O   . ARG   A 1 32  ? -35.930 0.039   -26.849 1.00 17.50 ? 38  ARG   B O   1 
ATOM   276  C CB  . ARG   A 1 32  ? -34.814 1.592   -24.096 1.00 18.15 ? 38  ARG   B CB  1 
ATOM   277  C CG  . ARG   A 1 32  ? -35.058 2.765   -25.032 1.00 20.85 ? 38  ARG   B CG  1 
ATOM   278  C CD  . ARG   A 1 32  ? -35.022 4.055   -24.222 1.00 23.77 ? 38  ARG   B CD  1 
ATOM   279  N NE  . ARG   A 1 32  ? -35.253 5.185   -25.114 1.00 27.79 ? 38  ARG   B NE  1 
ATOM   280  C CZ  . ARG   A 1 32  ? -36.433 5.692   -25.463 1.00 29.68 ? 38  ARG   B CZ  1 
ATOM   281  N NH1 . ARG   A 1 32  ? -37.562 5.197   -24.995 1.00 29.88 ? 38  ARG   B NH1 1 
ATOM   282  N NH2 . ARG   A 1 32  ? -36.472 6.715   -26.316 1.00 33.66 ? 38  ARG   B NH2 1 
ATOM   283  N N   A MET   A 1 33  ? -37.007 -0.362  -24.874 0.44 18.00 ? 39  MET   B N   1 
ATOM   284  N N   B MET   A 1 33  ? -37.025 -0.410  -24.923 0.37 18.76 ? 39  MET   B N   1 
ATOM   285  C CA  A MET   A 1 33  ? -38.375 -0.582  -25.412 0.44 20.42 ? 39  MET   B CA  1 
ATOM   286  C CA  B MET   A 1 33  ? -38.321 -0.692  -25.600 0.37 20.96 ? 39  MET   B CA  1 
ATOM   287  C C   A MET   A 1 33  ? -38.973 0.781   -25.755 0.44 19.91 ? 39  MET   B C   1 
ATOM   288  C C   B MET   A 1 33  ? -39.093 0.617   -25.737 0.37 20.64 ? 39  MET   B C   1 
ATOM   289  O O   A MET   A 1 33  ? -38.952 1.683   -24.885 0.44 19.50 ? 39  MET   B O   1 
ATOM   290  O O   B MET   A 1 33  ? -39.374 1.246   -24.680 0.37 20.57 ? 39  MET   B O   1 
ATOM   291  C CB  A MET   A 1 33  ? -39.229 -1.286  -24.354 0.44 20.95 ? 39  MET   B CB  1 
ATOM   292  C CB  B MET   A 1 33  ? -39.180 -1.693  -24.829 0.37 22.61 ? 39  MET   B CB  1 
ATOM   293  C CG  A MET   A 1 33  ? -40.639 -1.632  -24.827 0.44 23.58 ? 39  MET   B CG  1 
ATOM   294  C CG  B MET   A 1 33  ? -40.523 -1.937  -25.528 0.37 25.11 ? 39  MET   B CG  1 
ATOM   295  S SD  A MET   A 1 33  ? -40.569 -2.803  -26.219 0.44 23.56 ? 39  MET   B SD  1 
ATOM   296  S SD  B MET   A 1 33  ? -41.213 -3.550  -25.123 0.37 27.19 ? 39  MET   B SD  1 
ATOM   297  C CE  A MET   A 1 33  ? -42.190 -3.542  -26.110 0.44 24.60 ? 39  MET   B CE  1 
ATOM   298  C CE  B MET   A 1 33  ? -41.614 -4.127  -26.769 0.37 27.49 ? 39  MET   B CE  1 
ATOM   299  N N   . GLY   A 1 34  ? -39.464 0.945   -26.980 1.00 20.25 ? 40  GLY   B N   1 
ATOM   300  C CA  . GLY   A 1 34  ? -40.246 2.136   -27.347 1.00 21.61 ? 40  GLY   B CA  1 
ATOM   301  C C   . GLY   A 1 34  ? -41.705 1.952   -26.945 1.00 20.12 ? 40  GLY   B C   1 
ATOM   302  O O   . GLY   A 1 34  ? -42.097 0.808   -26.557 1.00 19.40 ? 40  GLY   B O   1 
ATOM   303  N N   . ASP   A 1 35  ? -42.479 3.037   -27.021 1.00 24.35 ? 41  ASP   B N   1 
ATOM   304  C CA  . ASP   A 1 35  ? -43.927 2.989   -26.658 1.00 28.71 ? 41  ASP   B CA  1 
ATOM   305  C C   . ASP   A 1 35  ? -44.764 2.563   -27.882 1.00 28.47 ? 41  ASP   B C   1 
ATOM   306  O O   . ASP   A 1 35  ? -45.995 2.367   -27.713 1.00 26.77 ? 41  ASP   B O   1 
ATOM   307  C CB  . ASP   A 1 35  ? -44.365 4.290   -25.969 1.00 37.60 ? 41  ASP   B CB  1 
ATOM   308  C CG  . ASP   A 1 35  ? -43.965 4.365   -24.486 1.00 52.75 ? 41  ASP   B CG  1 
ATOM   309  O OD1 . ASP   A 1 35  ? -43.675 3.294   -23.877 1.00 59.14 ? 41  ASP   B OD1 1 
ATOM   310  O OD2 . ASP   A 1 35  ? -43.943 5.489   -23.924 1.00 58.22 ? 41  ASP   B OD2 1 
ATOM   311  N N   . THR   A 1 36  ? -44.138 2.315   -29.042 1.00 22.44 ? 42  THR   B N   1 
ATOM   312  C CA  . THR   A 1 36  ? -44.850 1.968   -30.304 1.00 23.30 ? 42  THR   B CA  1 
ATOM   313  C C   . THR   A 1 36  ? -43.878 1.268   -31.262 1.00 19.90 ? 42  THR   B C   1 
ATOM   314  O O   . THR   A 1 36  ? -42.629 1.282   -31.003 1.00 17.46 ? 42  THR   B O   1 
ATOM   315  C CB  . THR   A 1 36  ? -45.442 3.248   -30.917 1.00 25.27 ? 42  THR   B CB  1 
ATOM   316  O OG1 . THR   A 1 36  ? -46.318 2.898   -31.986 1.00 26.56 ? 42  THR   B OG1 1 
ATOM   317  C CG2 . THR   A 1 36  ? -44.375 4.126   -31.525 1.00 28.58 ? 42  THR   B CG2 1 
ATOM   318  N N   . HIS   A 1 37  ? -44.366 0.739   -32.382 1.00 21.16 ? 43  HIS   B N   1 
ATOM   319  C CA  . HIS   A 1 37  ? -43.544 0.284   -33.546 1.00 22.80 ? 43  HIS   B CA  1 
ATOM   320  C C   . HIS   A 1 37  ? -42.595 1.391   -33.984 1.00 21.98 ? 43  HIS   B C   1 
ATOM   321  O O   . HIS   A 1 37  ? -43.072 2.555   -34.097 1.00 22.52 ? 43  HIS   B O   1 
ATOM   322  C CB  . HIS   A 1 37  ? -44.477 -0.135  -34.686 1.00 21.50 ? 43  HIS   B CB  1 
ATOM   323  C CG  . HIS   A 1 37  ? -43.853 -0.834  -35.844 1.00 19.86 ? 43  HIS   B CG  1 
ATOM   324  N ND1 . HIS   A 1 37  ? -43.067 -0.192  -36.784 1.00 19.18 ? 43  HIS   B ND1 1 
ATOM   325  C CD2 . HIS   A 1 37  ? -43.959 -2.121  -36.249 1.00 19.59 ? 43  HIS   B CD2 1 
ATOM   326  C CE1 . HIS   A 1 37  ? -42.731 -1.064  -37.714 1.00 19.12 ? 43  HIS   B CE1 1 
ATOM   327  N NE2 . HIS   A 1 37  ? -43.248 -2.250  -37.409 1.00 19.79 ? 43  HIS   B NE2 1 
ATOM   328  N N   . GLN   A 1 38  ? -41.292 1.077   -34.181 1.00 20.11 ? 44  GLN   B N   1 
ATOM   329  C CA  . GLN   A 1 38  ? -40.263 2.098   -34.484 1.00 20.88 ? 44  GLN   B CA  1 
ATOM   330  C C   . GLN   A 1 38  ? -40.085 2.359   -35.996 1.00 22.39 ? 44  GLN   B C   1 
ATOM   331  O O   . GLN   A 1 38  ? -39.058 2.961   -36.382 1.00 21.76 ? 44  GLN   B O   1 
ATOM   332  C CB  . GLN   A 1 38  ? -38.961 1.721   -33.769 1.00 19.91 ? 44  GLN   B CB  1 
ATOM   333  C CG  . GLN   A 1 38  ? -39.113 1.813   -32.270 1.00 19.21 ? 44  GLN   B CG  1 
ATOM   334  C CD  . GLN   A 1 38  ? -39.620 3.135   -31.766 1.00 19.45 ? 44  GLN   B CD  1 
ATOM   335  O OE1 . GLN   A 1 38  ? -40.609 3.229   -31.028 1.00 22.20 ? 44  GLN   B OE1 1 
ATOM   336  N NE2 . GLN   A 1 38  ? -38.988 4.208   -32.203 1.00 19.21 ? 44  GLN   B NE2 1 
ATOM   337  N N   . ASN   A 1 39  ? -41.079 2.026   -36.813 1.00 19.97 ? 45  ASN   B N   1 
ATOM   338  C CA  . ASN   A 1 39  ? -41.169 2.454   -38.247 1.00 18.67 ? 45  ASN   B CA  1 
ATOM   339  C C   . ASN   A 1 39  ? -40.048 1.829   -39.091 1.00 20.00 ? 45  ASN   B C   1 
ATOM   340  O O   . ASN   A 1 39  ? -39.587 2.454   -40.055 1.00 22.87 ? 45  ASN   B O   1 
ATOM   341  C CB  . ASN   A 1 39  ? -41.244 3.989   -38.375 1.00 19.03 ? 45  ASN   B CB  1 
ATOM   342  C CG  . ASN   A 1 39  ? -41.843 4.414   -39.706 1.00 20.53 ? 45  ASN   B CG  1 
ATOM   343  O OD1 . ASN   A 1 39  ? -42.727 3.733   -40.227 1.00 19.95 ? 45  ASN   B OD1 1 
ATOM   344  N ND2 . ASN   A 1 39  ? -41.391 5.541   -40.263 1.00 19.63 ? 45  ASN   B ND2 1 
ATOM   345  N N   . VAL   A 1 40  ? -39.702 0.560   -38.824 1.00 20.92 ? 46  VAL   B N   1 
ATOM   346  C CA  . VAL   A 1 40  ? -38.692 -0.226  -39.593 1.00 23.05 ? 46  VAL   B CA  1 
ATOM   347  C C   . VAL   A 1 40  ? -39.452 -1.272  -40.415 1.00 22.31 ? 46  VAL   B C   1 
ATOM   348  O O   . VAL   A 1 40  ? -40.523 -1.667  -39.991 1.00 20.66 ? 46  VAL   B O   1 
ATOM   349  C CB  . VAL   A 1 40  ? -37.673 -0.878  -38.637 1.00 24.02 ? 46  VAL   B CB  1 
ATOM   350  C CG1 . VAL   A 1 40  ? -36.844 0.159   -37.907 1.00 27.03 ? 46  VAL   B CG1 1 
ATOM   351  C CG2 . VAL   A 1 40  ? -38.328 -1.812  -37.627 1.00 26.93 ? 46  VAL   B CG2 1 
ATOM   352  N N   . SER   A 1 41  ? -38.919 -1.707  -41.552 1.00 22.42 ? 47  SER   B N   1 
ATOM   353  C CA  . SER   A 1 41  ? -39.475 -2.856  -42.309 1.00 25.31 ? 47  SER   B CA  1 
ATOM   354  C C   . SER   A 1 41  ? -39.272 -4.168  -41.542 1.00 23.73 ? 47  SER   B C   1 
ATOM   355  O O   . SER   A 1 41  ? -38.317 -4.252  -40.780 1.00 22.26 ? 47  SER   B O   1 
ATOM   356  C CB  . SER   A 1 41  ? -38.894 -2.937  -43.705 1.00 27.64 ? 47  SER   B CB  1 
ATOM   357  O OG  . SER   A 1 41  ? -37.492 -3.107  -43.655 1.00 28.30 ? 47  SER   B OG  1 
ATOM   358  N N   . ASP   A 1 42  ? -40.108 -5.176  -41.787 1.00 24.17 ? 48  ASP   B N   1 
ATOM   359  C CA  . ASP   A 1 42  ? -39.955 -6.542  -41.225 1.00 23.93 ? 48  ASP   B CA  1 
ATOM   360  C C   . ASP   A 1 42  ? -38.861 -7.251  -42.033 1.00 25.80 ? 48  ASP   B C   1 
ATOM   361  O O   . ASP   A 1 42  ? -38.619 -6.891  -43.202 1.00 24.27 ? 48  ASP   B O   1 
ATOM   362  C CB  . ASP   A 1 42  ? -41.264 -7.322  -41.192 1.00 26.56 ? 48  ASP   B CB  1 
ATOM   363  C CG  . ASP   A 1 42  ? -41.326 -8.368  -40.075 1.00 31.16 ? 48  ASP   B CG  1 
ATOM   364  O OD1 . ASP   A 1 42  ? -40.349 -8.485  -39.279 1.00 23.82 ? 48  ASP   B OD1 1 
ATOM   365  O OD2 . ASP   A 1 42  ? -42.388 -9.010  -39.929 1.00 41.37 ? 48  ASP   B OD2 1 
ATOM   366  N N   . ASN   A 1 43  ? -38.212 -8.235  -41.429 1.00 23.93 ? 49  ASN   B N   1 
ATOM   367  C CA  . ASN   A 1 43  ? -37.195 -9.099  -42.084 1.00 24.06 ? 49  ASN   B CA  1 
ATOM   368  C C   . ASN   A 1 43  ? -37.168 -10.414 -41.295 1.00 24.56 ? 49  ASN   B C   1 
ATOM   369  O O   . ASN   A 1 43  ? -37.762 -10.484 -40.177 1.00 24.04 ? 49  ASN   B O   1 
ATOM   370  C CB  . ASN   A 1 43  ? -35.843 -8.418  -42.254 1.00 23.54 ? 49  ASN   B CB  1 
ATOM   371  C CG  . ASN   A 1 43  ? -35.112 -8.227  -40.947 1.00 23.88 ? 49  ASN   B CG  1 
ATOM   372  O OD1 . ASN   A 1 43  ? -34.882 -9.193  -40.236 1.00 25.95 ? 49  ASN   B OD1 1 
ATOM   373  N ND2 . ASN   A 1 43  ? -34.810 -7.004  -40.590 1.00 23.13 ? 49  ASN   B ND2 1 
ATOM   374  N N   . LYS   A 1 44  ? -36.588 -11.451 -41.877 1.00 22.85 ? 50  LYS   B N   1 
ATOM   375  C CA  . LYS   A 1 44  ? -36.655 -12.804 -41.276 1.00 25.52 ? 50  LYS   B CA  1 
ATOM   376  C C   . LYS   A 1 44  ? -35.748 -12.868 -40.029 1.00 23.47 ? 50  LYS   B C   1 
ATOM   377  O O   . LYS   A 1 44  ? -35.897 -13.865 -39.275 1.00 23.42 ? 50  LYS   B O   1 
ATOM   378  C CB  . LYS   A 1 44  ? -36.213 -13.847 -42.315 1.00 30.75 ? 50  LYS   B CB  1 
ATOM   379  C CG  . LYS   A 1 44  ? -34.776 -13.677 -42.777 1.00 36.40 ? 50  LYS   B CG  1 
ATOM   380  C CD  . LYS   A 1 44  ? -34.376 -14.574 -43.937 1.00 47.25 ? 50  LYS   B CD  1 
ATOM   381  C CE  . LYS   A 1 44  ? -32.872 -14.725 -44.030 1.00 52.25 ? 50  LYS   B CE  1 
ATOM   382  N NZ  . LYS   A 1 44  ? -32.512 -15.740 -45.047 1.00 57.95 ? 50  LYS   B NZ  1 
ATOM   383  N N   . GLU   A 1 45  ? -34.838 -11.907 -39.837 1.00 23.40 ? 51  GLU   B N   1 
ATOM   384  C CA  . GLU   A 1 45  ? -33.926 -11.879 -38.651 1.00 25.22 ? 51  GLU   B CA  1 
ATOM   385  C C   . GLU   A 1 45  ? -34.645 -11.378 -37.376 1.00 23.24 ? 51  GLU   B C   1 
ATOM   386  O O   . GLU   A 1 45  ? -34.200 -11.732 -36.246 1.00 22.84 ? 51  GLU   B O   1 
ATOM   387  C CB  . GLU   A 1 45  ? -32.706 -11.004 -38.914 1.00 29.84 ? 51  GLU   B CB  1 
ATOM   388  C CG  . GLU   A 1 45  ? -31.712 -11.515 -39.947 1.00 35.87 ? 51  GLU   B CG  1 
ATOM   389  C CD  . GLU   A 1 45  ? -30.540 -10.541 -40.087 1.00 42.72 ? 51  GLU   B CD  1 
ATOM   390  O OE1 . GLU   A 1 45  ? -30.591 -9.683  -41.006 1.00 54.48 ? 51  GLU   B OE1 1 
ATOM   391  O OE2 . GLU   A 1 45  ? -29.595 -10.584 -39.258 1.00 51.15 ? 51  GLU   B OE2 1 
ATOM   392  N N   . ARG   A 1 46  ? -35.689 -10.547 -37.477 1.00 20.98 ? 52  ARG   B N   1 
ATOM   393  C CA  . ARG   A 1 46  ? -36.223 -9.829  -36.281 1.00 20.89 ? 52  ARG   B CA  1 
ATOM   394  C C   . ARG   A 1 46  ? -36.939 -10.789 -35.333 1.00 19.19 ? 52  ARG   B C   1 
ATOM   395  O O   . ARG   A 1 46  ? -37.779 -11.638 -35.782 1.00 20.73 ? 52  ARG   B O   1 
ATOM   396  C CB  . ARG   A 1 46  ? -37.214 -8.728  -36.679 1.00 22.41 ? 52  ARG   B CB  1 
ATOM   397  C CG  . ARG   A 1 46  ? -36.635 -7.612  -37.522 1.00 21.91 ? 52  ARG   B CG  1 
ATOM   398  C CD  . ARG   A 1 46  ? -37.552 -6.388  -37.443 1.00 20.83 ? 52  ARG   B CD  1 
ATOM   399  N NE  . ARG   A 1 46  ? -37.024 -5.356  -38.313 1.00 20.54 ? 52  ARG   B NE  1 
ATOM   400  C CZ  . ARG   A 1 46  ? -35.923 -4.656  -38.067 1.00 20.48 ? 52  ARG   B CZ  1 
ATOM   401  N NH1 . ARG   A 1 46  ? -35.279 -4.745  -36.899 1.00 19.74 ? 52  ARG   B NH1 1 
ATOM   402  N NH2 . ARG   A 1 46  ? -35.492 -3.805  -38.977 1.00 24.39 ? 52  ARG   B NH2 1 
ATOM   403  N N   . PHE   A 1 47  ? -36.639 -10.702 -34.037 1.00 18.24 ? 53  PHE   B N   1 
ATOM   404  C CA  . PHE   A 1 47  ? -37.450 -11.416 -33.027 1.00 17.60 ? 53  PHE   B CA  1 
ATOM   405  C C   . PHE   A 1 47  ? -38.868 -10.806 -33.058 1.00 19.25 ? 53  PHE   B C   1 
ATOM   406  O O   . PHE   A 1 47  ? -39.013 -9.599  -32.758 1.00 18.87 ? 53  PHE   B O   1 
ATOM   407  C CB  . PHE   A 1 47  ? -36.858 -11.373 -31.619 1.00 18.19 ? 53  PHE   B CB  1 
ATOM   408  C CG  . PHE   A 1 47  ? -35.604 -12.187 -31.476 1.00 16.24 ? 53  PHE   B CG  1 
ATOM   409  C CD1 . PHE   A 1 47  ? -35.688 -13.562 -31.272 1.00 15.96 ? 53  PHE   B CD1 1 
ATOM   410  C CD2 . PHE   A 1 47  ? -34.353 -11.601 -31.577 1.00 17.51 ? 53  PHE   B CD2 1 
ATOM   411  C CE1 . PHE   A 1 47  ? -34.537 -14.323 -31.116 1.00 17.31 ? 53  PHE   B CE1 1 
ATOM   412  C CE2 . PHE   A 1 47  ? -33.212 -12.374 -31.443 1.00 17.08 ? 53  PHE   B CE2 1 
ATOM   413  C CZ  . PHE   A 1 47  ? -33.309 -13.749 -31.248 1.00 16.03 ? 53  PHE   B CZ  1 
ATOM   414  N N   . SER   A 1 48  ? -39.880 -11.614 -33.321 1.00 20.31 ? 54  SER   B N   1 
ATOM   415  C CA  . SER   A 1 48  ? -41.275 -11.122 -33.490 1.00 21.96 ? 54  SER   B CA  1 
ATOM   416  C C   . SER   A 1 48  ? -42.023 -10.994 -32.155 1.00 21.86 ? 54  SER   B C   1 
ATOM   417  O O   . SER   A 1 48  ? -42.764 -10.009 -32.010 1.00 25.98 ? 54  SER   B O   1 
ATOM   418  C CB  . SER   A 1 48  ? -42.029 -11.992 -34.478 1.00 22.54 ? 54  SER   B CB  1 
ATOM   419  O OG  . SER   A 1 48  ? -42.196 -13.309 -33.996 1.00 20.69 ? 54  SER   B OG  1 
ATOM   420  N N   . ASN   A 1 49  ? -41.886 -11.925 -31.216 1.00 19.01 ? 55  ASN   B N   1 
ATOM   421  C CA  . ASN   A 1 49  ? -42.843 -12.069 -30.089 1.00 20.39 ? 55  ASN   B CA  1 
ATOM   422  C C   . ASN   A 1 49  ? -42.348 -11.353 -28.830 1.00 18.98 ? 55  ASN   B C   1 
ATOM   423  O O   . ASN   A 1 49  ? -43.111 -11.224 -27.829 1.00 21.69 ? 55  ASN   B O   1 
ATOM   424  C CB  . ASN   A 1 49  ? -43.147 -13.523 -29.795 1.00 21.16 ? 55  ASN   B CB  1 
ATOM   425  C CG  . ASN   A 1 49  ? -44.085 -14.152 -30.820 1.00 26.42 ? 55  ASN   B CG  1 
ATOM   426  O OD1 . ASN   A 1 49  ? -43.892 -14.021 -32.025 1.00 25.93 ? 55  ASN   B OD1 1 
ATOM   427  N ND2 . ASN   A 1 49  ? -45.068 -14.887 -30.342 1.00 29.80 ? 55  ASN   B ND2 1 
ATOM   428  N N   . TYR   A 1 50  ? -41.049 -11.070 -28.783 1.00 17.29 ? 56  TYR   B N   1 
ATOM   429  C CA  . TYR   A 1 50  ? -40.409 -10.593 -27.535 1.00 17.25 ? 56  TYR   B CA  1 
ATOM   430  C C   . TYR   A 1 50  ? -39.446 -9.452  -27.845 1.00 17.54 ? 56  TYR   B C   1 
ATOM   431  O O   . TYR   A 1 50  ? -38.881 -9.359  -28.952 1.00 16.92 ? 56  TYR   B O   1 
ATOM   432  C CB  . TYR   A 1 50  ? -39.607 -11.705 -26.864 1.00 18.04 ? 56  TYR   B CB  1 
ATOM   433  C CG  . TYR   A 1 50  ? -40.323 -13.025 -26.741 1.00 18.64 ? 56  TYR   B CG  1 
ATOM   434  C CD1 . TYR   A 1 50  ? -41.306 -13.220 -25.771 1.00 19.92 ? 56  TYR   B CD1 1 
ATOM   435  C CD2 . TYR   A 1 50  ? -40.008 -14.090 -27.549 1.00 19.26 ? 56  TYR   B CD2 1 
ATOM   436  C CE1 . TYR   A 1 50  ? -41.972 -14.434 -25.635 1.00 22.50 ? 56  TYR   B CE1 1 
ATOM   437  C CE2 . TYR   A 1 50  ? -40.689 -15.294 -27.458 1.00 19.55 ? 56  TYR   B CE2 1 
ATOM   438  C CZ  . TYR   A 1 50  ? -41.669 -15.465 -26.494 1.00 21.00 ? 56  TYR   B CZ  1 
ATOM   439  O OH  . TYR   A 1 50  ? -42.276 -16.676 -26.399 1.00 23.35 ? 56  TYR   B OH  1 
ATOM   440  N N   . PRO   A 1 51  ? -39.157 -8.583  -26.859 1.00 16.51 ? 57  PRO   B N   1 
ATOM   441  C CA  . PRO   A 1 51  ? -38.290 -7.422  -27.065 1.00 16.58 ? 57  PRO   B CA  1 
ATOM   442  C C   . PRO   A 1 51  ? -36.777 -7.743  -27.068 1.00 15.54 ? 57  PRO   B C   1 
ATOM   443  O O   . PRO   A 1 51  ? -36.039 -7.217  -26.239 1.00 17.45 ? 57  PRO   B O   1 
ATOM   444  C CB  . PRO   A 1 51  ? -38.614 -6.488  -25.880 1.00 18.49 ? 57  PRO   B CB  1 
ATOM   445  C CG  . PRO   A 1 51  ? -39.848 -7.094  -25.237 1.00 17.39 ? 57  PRO   B CG  1 
ATOM   446  C CD  . PRO   A 1 51  ? -39.819 -8.554  -25.549 1.00 16.25 ? 57  PRO   B CD  1 
ATOM   447  N N   . MET   A 1 52  ? -36.388 -8.643  -27.984 1.00 17.10 ? 58  MET   B N   1 
ATOM   448  C CA  . MET   A 1 52  ? -35.020 -9.199  -28.071 1.00 14.22 ? 58  MET   B CA  1 
ATOM   449  C C   . MET   A 1 52  ? -34.202 -8.605  -29.204 1.00 16.30 ? 58  MET   B C   1 
ATOM   450  O O   . MET   A 1 52  ? -34.734 -8.137  -30.235 1.00 15.27 ? 58  MET   B O   1 
ATOM   451  C CB  . MET   A 1 52  ? -35.099 -10.737 -28.215 1.00 14.47 ? 58  MET   B CB  1 
ATOM   452  C CG  . MET   A 1 52  ? -35.769 -11.400 -27.042 1.00 14.39 ? 58  MET   B CG  1 
ATOM   453  S SD  . MET   A 1 52  ? -36.206 -13.130 -27.417 1.00 17.05 ? 58  MET   B SD  1 
ATOM   454  C CE  . MET   A 1 52  ? -36.845 -13.746 -25.864 1.00 17.67 ? 58  MET   B CE  1 
ATOM   455  N N   . VAL   A 1 53  ? -32.878 -8.641  -29.028 1.00 15.55 ? 59  VAL   B N   1 
ATOM   456  C CA  . VAL   A 1 53  ? -31.917 -8.196  -30.075 1.00 16.41 ? 59  VAL   B CA  1 
ATOM   457  C C   . VAL   A 1 53  ? -30.611 -8.974  -29.846 1.00 17.40 ? 59  VAL   B C   1 
ATOM   458  O O   . VAL   A 1 53  ? -30.331 -9.375  -28.658 1.00 16.21 ? 59  VAL   B O   1 
ATOM   459  C CB  . VAL   A 1 53  ? -31.722 -6.661  -30.037 1.00 15.54 ? 59  VAL   B CB  1 
ATOM   460  C CG1 . VAL   A 1 53  ? -31.145 -6.196  -28.718 1.00 16.53 ? 59  VAL   B CG1 1 
ATOM   461  C CG2 . VAL   A 1 53  ? -30.851 -6.132  -31.187 1.00 16.53 ? 59  VAL   B CG2 1 
ATOM   462  N N   . LEU   A 1 54  ? -29.839 -9.161  -30.899 1.00 17.40 ? 60  LEU   B N   1 
ATOM   463  C CA  . LEU   A 1 54  ? -28.507 -9.801  -30.817 1.00 17.35 ? 60  LEU   B CA  1 
ATOM   464  C C   . LEU   A 1 54  ? -27.388 -8.790  -30.982 1.00 17.64 ? 60  LEU   B C   1 
ATOM   465  O O   . LEU   A 1 54  ? -27.533 -7.705  -31.663 1.00 18.53 ? 60  LEU   B O   1 
ATOM   466  C CB  . LEU   A 1 54  ? -28.376 -10.883 -31.897 1.00 17.69 ? 60  LEU   B CB  1 
ATOM   467  C CG  . LEU   A 1 54  ? -29.456 -11.943 -31.966 1.00 17.84 ? 60  LEU   B CG  1 
ATOM   468  C CD1 . LEU   A 1 54  ? -29.152 -13.010 -33.022 1.00 19.39 ? 60  LEU   B CD1 1 
ATOM   469  C CD2 . LEU   A 1 54  ? -29.711 -12.585 -30.609 1.00 17.91 ? 60  LEU   B CD2 1 
ATOM   470  N N   . GLY   A 1 55  ? -26.242 -9.125  -30.414 1.00 17.15 ? 61  GLY   B N   1 
ATOM   471  C CA  . GLY   A 1 55  ? -24.976 -8.467  -30.781 1.00 16.83 ? 61  GLY   B CA  1 
ATOM   472  C C   . GLY   A 1 55  ? -24.596 -8.789  -32.212 1.00 16.90 ? 61  GLY   B C   1 
ATOM   473  O O   . GLY   A 1 55  ? -24.899 -9.896  -32.685 1.00 17.93 ? 61  GLY   B O   1 
ATOM   474  N N   . ALA   A 1 56  ? -23.826 -7.915  -32.818 1.00 18.86 ? 62  ALA   B N   1 
ATOM   475  C CA  . ALA   A 1 56  ? -23.296 -8.073  -34.195 1.00 20.57 ? 62  ALA   B CA  1 
ATOM   476  C C   . ALA   A 1 56  ? -22.177 -9.127  -34.229 1.00 21.83 ? 62  ALA   B C   1 
ATOM   477  O O   . ALA   A 1 56  ? -22.036 -9.833  -35.264 1.00 24.69 ? 62  ALA   B O   1 
ATOM   478  C CB  . ALA   A 1 56  ? -22.817 -6.724  -34.654 1.00 22.37 ? 62  ALA   B CB  1 
ATOM   479  N N   . GLN   A 1 57  ? -21.439 -9.268  -33.121 1.00 21.86 ? 63  GLN   B N   1 
ATOM   480  C CA  . GLN   A 1 57  ? -20.230 -10.121 -33.097 1.00 21.61 ? 63  GLN   B CA  1 
ATOM   481  C C   . GLN   A 1 57  ? -20.671 -11.589 -33.120 1.00 22.68 ? 63  GLN   B C   1 
ATOM   482  O O   . GLN   A 1 57  ? -21.686 -11.919 -32.465 1.00 21.71 ? 63  GLN   B O   1 
ATOM   483  C CB  . GLN   A 1 57  ? -19.373 -9.763  -31.867 1.00 23.57 ? 63  GLN   B CB  1 
ATOM   484  C CG  . GLN   A 1 57  ? -18.697 -8.402  -31.940 1.00 26.45 ? 63  GLN   B CG  1 
ATOM   485  C CD  . GLN   A 1 57  ? -19.644 -7.231  -31.783 1.00 25.42 ? 63  GLN   B CD  1 
ATOM   486  O OE1 . GLN   A 1 57  ? -20.609 -7.274  -31.036 1.00 22.78 ? 63  GLN   B OE1 1 
ATOM   487  N NE2 . GLN   A 1 57  ? -19.377 -6.142  -32.469 1.00 26.42 ? 63  GLN   B NE2 1 
ATOM   488  N N   . ARG   A 1 58  ? -19.945 -12.438 -33.856 1.00 22.16 ? 64  ARG   B N   1 
ATOM   489  C CA  . ARG   A 1 58  ? -20.106 -13.918 -33.847 1.00 21.45 ? 64  ARG   B CA  1 
ATOM   490  C C   . ARG   A 1 58  ? -18.826 -14.539 -33.288 1.00 21.35 ? 64  ARG   B C   1 
ATOM   491  O O   . ARG   A 1 58  ? -17.731 -14.096 -33.688 1.00 22.15 ? 64  ARG   B O   1 
ATOM   492  C CB  . ARG   A 1 58  ? -20.303 -14.492 -35.259 1.00 28.18 ? 64  ARG   B CB  1 
ATOM   493  C CG  . ARG   A 1 58  ? -21.676 -14.269 -35.893 1.00 35.82 ? 64  ARG   B CG  1 
ATOM   494  C CD  . ARG   A 1 58  ? -22.091 -12.804 -35.908 1.00 39.39 ? 64  ARG   B CD  1 
ATOM   495  N NE  . ARG   A 1 58  ? -23.039 -12.221 -36.877 1.00 43.26 ? 64  ARG   B NE  1 
ATOM   496  C CZ  . ARG   A 1 58  ? -23.726 -12.827 -37.848 1.00 43.23 ? 64  ARG   B CZ  1 
ATOM   497  N NH1 . ARG   A 1 58  ? -24.527 -12.096 -38.604 1.00 46.26 ? 64  ARG   B NH1 1 
ATOM   498  N NH2 . ARG   A 1 58  ? -23.648 -14.123 -38.082 1.00 44.57 ? 64  ARG   B NH2 1 
ATOM   499  N N   . PHE   A 1 59  ? -18.952 -15.462 -32.335 1.00 21.61 ? 65  PHE   B N   1 
ATOM   500  C CA  . PHE   A 1 59  ? -17.799 -16.136 -31.668 1.00 20.57 ? 65  PHE   B CA  1 
ATOM   501  C C   . PHE   A 1 59  ? -17.871 -17.643 -31.966 1.00 19.02 ? 65  PHE   B C   1 
ATOM   502  O O   . PHE   A 1 59  ? -18.920 -18.247 -31.768 1.00 17.68 ? 65  PHE   B O   1 
ATOM   503  C CB  . PHE   A 1 59  ? -17.878 -15.873 -30.154 1.00 21.82 ? 65  PHE   B CB  1 
ATOM   504  C CG  . PHE   A 1 59  ? -17.906 -14.403 -29.811 1.00 22.55 ? 65  PHE   B CG  1 
ATOM   505  C CD1 . PHE   A 1 59  ? -16.931 -13.545 -30.297 1.00 26.95 ? 65  PHE   B CD1 1 
ATOM   506  C CD2 . PHE   A 1 59  ? -18.894 -13.890 -29.007 1.00 30.10 ? 65  PHE   B CD2 1 
ATOM   507  C CE1 . PHE   A 1 59  ? -16.933 -12.194 -29.976 1.00 30.05 ? 65  PHE   B CE1 1 
ATOM   508  C CE2 . PHE   A 1 59  ? -18.881 -12.545 -28.667 1.00 26.85 ? 65  PHE   B CE2 1 
ATOM   509  C CZ  . PHE   A 1 59  ? -17.922 -11.705 -29.170 1.00 28.73 ? 65  PHE   B CZ  1 
ATOM   510  N N   A SER   A 1 60  ? -16.760 -18.230 -32.419 0.25 19.04 ? 66  SER   B N   1 
ATOM   511  N N   B SER   A 1 60  ? -16.769 -18.231 -32.448 0.25 19.05 ? 66  SER   B N   1 
ATOM   512  C CA  A SER   A 1 60  ? -16.666 -19.681 -32.737 0.25 19.19 ? 66  SER   B CA  1 
ATOM   513  C CA  B SER   A 1 60  ? -16.655 -19.688 -32.745 0.25 19.32 ? 66  SER   B CA  1 
ATOM   514  C C   A SER   A 1 60  ? -15.436 -20.306 -32.054 0.25 19.27 ? 66  SER   B C   1 
ATOM   515  C C   B SER   A 1 60  ? -15.356 -20.262 -32.171 0.25 20.27 ? 66  SER   B C   1 
ATOM   516  O O   A SER   A 1 60  ? -15.304 -21.545 -32.088 0.25 17.87 ? 66  SER   B O   1 
ATOM   517  O O   B SER   A 1 60  ? -14.913 -21.318 -32.655 0.25 19.06 ? 66  SER   B O   1 
ATOM   518  C CB  A SER   A 1 60  ? -16.687 -19.879 -34.229 0.25 19.64 ? 66  SER   B CB  1 
ATOM   519  C CB  B SER   A 1 60  ? -16.709 -19.932 -34.214 0.25 19.13 ? 66  SER   B CB  1 
ATOM   520  O OG  A SER   A 1 60  ? -18.008 -19.642 -34.734 0.25 20.49 ? 66  SER   B OG  1 
ATOM   521  O OG  B SER   A 1 60  ? -15.679 -19.216 -34.856 0.25 18.29 ? 66  SER   B OG  1 
ATOM   522  N N   A SER   A 1 61  ? -14.619 -19.481 -31.391 0.25 18.96 ? 67  SER   B N   1 
ATOM   523  N N   B SER   A 1 61  ? -14.778 -19.587 -31.179 0.25 21.20 ? 67  SER   B N   1 
ATOM   524  C CA  A SER   A 1 61  ? -13.414 -19.905 -30.634 0.25 19.45 ? 67  SER   B CA  1 
ATOM   525  C CA  B SER   A 1 61  ? -13.476 -19.947 -30.575 0.25 22.66 ? 67  SER   B CA  1 
ATOM   526  C C   A SER   A 1 61  ? -13.134 -18.920 -29.498 0.25 20.26 ? 67  SER   B C   1 
ATOM   527  C C   B SER   A 1 61  ? -13.073 -18.895 -29.544 0.25 22.18 ? 67  SER   B C   1 
ATOM   528  O O   A SER   A 1 61  ? -13.762 -17.852 -29.488 0.25 20.30 ? 67  SER   B O   1 
ATOM   529  O O   B SER   A 1 61  ? -13.525 -17.745 -29.675 0.25 21.52 ? 67  SER   B O   1 
ATOM   530  C CB  A SER   A 1 61  ? -12.227 -20.015 -31.558 0.25 19.47 ? 67  SER   B CB  1 
ATOM   531  C CB  B SER   A 1 61  ? -12.434 -20.085 -31.651 0.25 24.67 ? 67  SER   B CB  1 
ATOM   532  O OG  A SER   A 1 61  ? -11.784 -18.731 -31.957 0.25 17.20 ? 67  SER   B OG  1 
ATOM   533  O OG  B SER   A 1 61  ? -11.231 -20.589 -31.102 0.25 27.03 ? 67  SER   B OG  1 
ATOM   534  N N   . GLY   A 1 62  ? -12.208 -19.271 -28.597 1.00 22.07 ? 68  GLY   B N   1 
ATOM   535  C CA  . GLY   A 1 62  ? -11.604 -18.302 -27.676 1.00 23.96 ? 68  GLY   B CA  1 
ATOM   536  C C   . GLY   A 1 62  ? -12.422 -18.056 -26.429 1.00 23.38 ? 68  GLY   B C   1 
ATOM   537  O O   . GLY   A 1 62  ? -13.445 -18.749 -26.191 1.00 21.34 ? 68  GLY   B O   1 
ATOM   538  N N   . LYS   A 1 63  ? -11.943 -17.063 -25.681 1.00 22.05 ? 69  LYS   B N   1 
ATOM   539  C CA  . LYS   A 1 63  ? -12.516 -16.588 -24.421 1.00 21.33 ? 69  LYS   B CA  1 
ATOM   540  C C   . LYS   A 1 63  ? -12.923 -15.127 -24.644 1.00 21.43 ? 69  LYS   B C   1 
ATOM   541  O O   . LYS   A 1 63  ? -12.131 -14.343 -25.173 1.00 21.20 ? 69  LYS   B O   1 
ATOM   542  C CB  . LYS   A 1 63  ? -11.509 -16.768 -23.284 1.00 22.92 ? 69  LYS   B CB  1 
ATOM   543  C CG  . LYS   A 1 63  ? -11.104 -18.208 -22.995 1.00 22.62 ? 69  LYS   B CG  1 
ATOM   544  C CD  . LYS   A 1 63  ? -9.993  -18.272 -21.905 1.00 26.66 ? 69  LYS   B CD  1 
ATOM   545  C CE  . LYS   A 1 63  ? -9.576  -19.684 -21.576 1.00 30.58 ? 69  LYS   B CE  1 
ATOM   546  N NZ  . LYS   A 1 63  ? -8.574  -19.697 -20.490 1.00 33.52 ? 69  LYS   B NZ  1 
ATOM   547  N N   . MET   A 1 64  ? -14.161 -14.794 -24.274 1.00 18.95 ? 70  MET   B N   1 
ATOM   548  C CA  . MET   A 1 64  ? -14.784 -13.472 -24.486 1.00 18.39 ? 70  MET   B CA  1 
ATOM   549  C C   . MET   A 1 64  ? -15.478 -13.037 -23.195 1.00 16.96 ? 70  MET   B C   1 
ATOM   550  O O   . MET   A 1 64  ? -16.017 -13.871 -22.490 1.00 18.93 ? 70  MET   B O   1 
ATOM   551  C CB  . MET   A 1 64  ? -15.874 -13.594 -25.544 1.00 19.30 ? 70  MET   B CB  1 
ATOM   552  C CG  . MET   A 1 64  ? -15.381 -13.714 -26.973 1.00 21.68 ? 70  MET   B CG  1 
ATOM   553  S SD  . MET   A 1 64  ? -14.676 -15.323 -27.447 1.00 23.00 ? 70  MET   B SD  1 
ATOM   554  C CE  . MET   A 1 64  ? -15.957 -16.492 -27.021 1.00 24.66 ? 70  MET   B CE  1 
ATOM   555  N N   . TYR   A 1 65  ? -15.449 -11.756 -22.884 1.00 16.63 ? 71  TYR   B N   1 
ATOM   556  C CA  . TYR   A 1 65  ? -16.022 -11.196 -21.636 1.00 18.55 ? 71  TYR   B CA  1 
ATOM   557  C C   . TYR   A 1 65  ? -16.625 -9.846  -22.005 1.00 18.37 ? 71  TYR   B C   1 
ATOM   558  O O   . TYR   A 1 65  ? -16.008 -9.035  -22.780 1.00 20.12 ? 71  TYR   B O   1 
ATOM   559  C CB  . TYR   A 1 65  ? -14.975 -11.022 -20.528 1.00 20.04 ? 71  TYR   B CB  1 
ATOM   560  C CG  . TYR   A 1 65  ? -15.509 -10.411 -19.252 1.00 18.48 ? 71  TYR   B CG  1 
ATOM   561  C CD1 . TYR   A 1 65  ? -16.178 -11.175 -18.317 1.00 18.88 ? 71  TYR   B CD1 1 
ATOM   562  C CD2 . TYR   A 1 65  ? -15.375 -9.051  -19.005 1.00 18.56 ? 71  TYR   B CD2 1 
ATOM   563  C CE1 . TYR   A 1 65  ? -16.713 -10.613 -17.164 1.00 20.85 ? 71  TYR   B CE1 1 
ATOM   564  C CE2 . TYR   A 1 65  ? -15.873 -8.481  -17.846 1.00 19.69 ? 71  TYR   B CE2 1 
ATOM   565  C CZ  . TYR   A 1 65  ? -16.567 -9.249  -16.944 1.00 19.97 ? 71  TYR   B CZ  1 
ATOM   566  O OH  . TYR   A 1 65  ? -17.033 -8.671  -15.792 1.00 22.01 ? 71  TYR   B OH  1 
ATOM   567  N N   . TRP   A 1 66  ? -17.841 -9.592  -21.543 1.00 15.78 ? 72  TRP   B N   1 
ATOM   568  C CA  . TRP   A 1 66  ? -18.420 -8.231  -21.646 1.00 15.97 ? 72  TRP   B CA  1 
ATOM   569  C C   . TRP   A 1 66  ? -19.334 -7.950  -20.437 1.00 16.14 ? 72  TRP   B C   1 
ATOM   570  O O   . TRP   A 1 66  ? -19.646 -8.894  -19.707 1.00 17.03 ? 72  TRP   B O   1 
ATOM   571  C CB  . TRP   A 1 66  ? -19.159 -8.059  -23.001 1.00 15.54 ? 72  TRP   B CB  1 
ATOM   572  C CG  . TRP   A 1 66  ? -20.358 -8.910  -23.265 1.00 16.28 ? 72  TRP   B CG  1 
ATOM   573  C CD1 . TRP   A 1 66  ? -21.692 -8.607  -23.058 1.00 17.24 ? 72  TRP   B CD1 1 
ATOM   574  C CD2 . TRP   A 1 66  ? -20.357 -10.242 -23.796 1.00 17.13 ? 72  TRP   B CD2 1 
ATOM   575  N NE1 . TRP   A 1 66  ? -22.492 -9.646  -23.460 1.00 17.90 ? 72  TRP   B NE1 1 
ATOM   576  C CE2 . TRP   A 1 66  ? -21.704 -10.673 -23.884 1.00 17.51 ? 72  TRP   B CE2 1 
ATOM   577  C CE3 . TRP   A 1 66  ? -19.338 -11.113 -24.185 1.00 20.66 ? 72  TRP   B CE3 1 
ATOM   578  C CZ2 . TRP   A 1 66  ? -22.041 -11.933 -24.368 1.00 20.44 ? 72  TRP   B CZ2 1 
ATOM   579  C CZ3 . TRP   A 1 66  ? -19.677 -12.355 -24.669 1.00 22.01 ? 72  TRP   B CZ3 1 
ATOM   580  C CH2 . TRP   A 1 66  ? -21.009 -12.745 -24.778 1.00 20.60 ? 72  TRP   B CH2 1 
ATOM   581  N N   . GLU   A 1 67  ? -19.724 -6.680  -20.239 1.00 16.21 ? 73  GLU   B N   1 
ATOM   582  C CA  . GLU   A 1 67  ? -20.566 -6.241  -19.086 1.00 17.47 ? 73  GLU   B CA  1 
ATOM   583  C C   . GLU   A 1 67  ? -21.794 -5.498  -19.589 1.00 17.95 ? 73  GLU   B C   1 
ATOM   584  O O   . GLU   A 1 67  ? -21.690 -4.750  -20.559 1.00 16.88 ? 73  GLU   B O   1 
ATOM   585  C CB  . GLU   A 1 67  ? -19.761 -5.406  -18.100 1.00 19.84 ? 73  GLU   B CB  1 
ATOM   586  C CG  . GLU   A 1 67  ? -18.632 -6.241  -17.477 1.00 22.69 ? 73  GLU   B CG  1 
ATOM   587  C CD  . GLU   A 1 67  ? -17.758 -5.498  -16.493 1.00 27.66 ? 73  GLU   B CD  1 
ATOM   588  O OE1 . GLU   A 1 67  ? -17.893 -4.245  -16.469 1.00 29.97 ? 73  GLU   B OE1 1 
ATOM   589  O OE2 . GLU   A 1 67  ? -16.995 -6.166  -15.701 1.00 24.45 ? 73  GLU   B OE2 1 
ATOM   590  N N   . VAL   A 1 68  ? -22.916 -5.709  -18.906 1.00 17.80 ? 74  VAL   B N   1 
ATOM   591  C CA  . VAL   A 1 68  ? -24.206 -5.063  -19.232 1.00 18.86 ? 74  VAL   B CA  1 
ATOM   592  C C   . VAL   A 1 68  ? -24.792 -4.380  -17.991 1.00 17.07 ? 74  VAL   B C   1 
ATOM   593  O O   . VAL   A 1 68  ? -24.837 -4.991  -16.926 1.00 17.84 ? 74  VAL   B O   1 
ATOM   594  C CB  . VAL   A 1 68  ? -25.213 -6.071  -19.782 1.00 18.65 ? 74  VAL   B CB  1 
ATOM   595  C CG1 . VAL   A 1 68  ? -26.453 -5.339  -20.274 1.00 20.54 ? 74  VAL   B CG1 1 
ATOM   596  C CG2 . VAL   A 1 68  ? -24.609 -6.975  -20.844 1.00 19.73 ? 74  VAL   B CG2 1 
ATOM   597  N N   . ASP   A 1 69  ? -25.229 -3.132  -18.153 1.00 17.34 ? 75  ASP   B N   1 
ATOM   598  C CA  . ASP   A 1 69  ? -25.857 -2.328  -17.082 1.00 18.07 ? 75  ASP   B CA  1 
ATOM   599  C C   . ASP   A 1 69  ? -27.348 -2.617  -17.119 1.00 17.21 ? 75  ASP   B C   1 
ATOM   600  O O   . ASP   A 1 69  ? -27.949 -2.521  -18.213 1.00 18.52 ? 75  ASP   B O   1 
ATOM   601  C CB  . ASP   A 1 69  ? -25.573 -0.825  -17.247 1.00 20.04 ? 75  ASP   B CB  1 
ATOM   602  C CG  . ASP   A 1 69  ? -25.976 -0.011  -16.027 1.00 22.55 ? 75  ASP   B CG  1 
ATOM   603  O OD1 . ASP   A 1 69  ? -27.153 0.013   -15.687 1.00 23.38 ? 75  ASP   B OD1 1 
ATOM   604  O OD2 . ASP   A 1 69  ? -25.077 0.462   -15.334 1.00 28.91 ? 75  ASP   B OD2 1 
ATOM   605  N N   . VAL   A 1 70  ? -27.906 -3.048  -15.994 1.00 17.19 ? 76  VAL   B N   1 
ATOM   606  C CA  . VAL   A 1 70  ? -29.355 -3.371  -15.811 1.00 17.38 ? 76  VAL   B CA  1 
ATOM   607  C C   . VAL   A 1 70  ? -30.009 -2.456  -14.752 1.00 18.74 ? 76  VAL   B C   1 
ATOM   608  O O   . VAL   A 1 70  ? -31.120 -2.755  -14.297 1.00 17.83 ? 76  VAL   B O   1 
ATOM   609  C CB  . VAL   A 1 70  ? -29.510 -4.879  -15.462 1.00 17.09 ? 76  VAL   B CB  1 
ATOM   610  C CG1 . VAL   A 1 70  ? -28.934 -5.758  -16.591 1.00 17.27 ? 76  VAL   B CG1 1 
ATOM   611  C CG2 . VAL   A 1 70  ? -28.908 -5.238  -14.104 1.00 17.69 ? 76  VAL   B CG2 1 
ATOM   612  N N   . THR   A 1 71  ? -29.390 -1.328  -14.405 1.00 17.93 ? 77  THR   B N   1 
ATOM   613  C CA  . THR   A 1 71  ? -29.903 -0.380  -13.401 1.00 20.47 ? 77  THR   B CA  1 
ATOM   614  C C   . THR   A 1 71  ? -31.402 -0.095  -13.620 1.00 19.67 ? 77  THR   B C   1 
ATOM   615  O O   . THR   A 1 71  ? -31.826 0.246   -14.760 1.00 19.80 ? 77  THR   B O   1 
ATOM   616  C CB  . THR   A 1 71  ? -29.097 0.907   -13.405 1.00 21.46 ? 77  THR   B CB  1 
ATOM   617  O OG1 . THR   A 1 71  ? -27.735 0.601   -13.073 1.00 23.21 ? 77  THR   B OG1 1 
ATOM   618  C CG2 . THR   A 1 71  ? -29.712 1.836   -12.383 1.00 23.99 ? 77  THR   B CG2 1 
ATOM   619  N N   . GLN   A 1 72  ? -32.124 -0.251  -12.519 1.00 22.97 ? 78  GLN   B N   1 
ATOM   620  C CA  . GLN   A 1 72  ? -33.564 0.025   -12.250 1.00 26.56 ? 78  GLN   B CA  1 
ATOM   621  C C   . GLN   A 1 72  ? -34.500 -0.771  -13.156 1.00 28.56 ? 78  GLN   B C   1 
ATOM   622  O O   . GLN   A 1 72  ? -35.704 -0.481  -13.132 1.00 31.61 ? 78  GLN   B O   1 
ATOM   623  C CB  . GLN   A 1 72  ? -33.836 1.533   -12.235 1.00 31.42 ? 78  GLN   B CB  1 
ATOM   624  C CG  . GLN   A 1 72  ? -33.591 2.252   -13.551 1.00 39.14 ? 78  GLN   B CG  1 
ATOM   625  C CD  . GLN   A 1 72  ? -34.678 3.238   -13.916 1.00 46.16 ? 78  GLN   B CD  1 
ATOM   626  O OE1 . GLN   A 1 72  ? -34.422 4.253   -14.570 1.00 49.07 ? 78  GLN   B OE1 1 
ATOM   627  N NE2 . GLN   A 1 72  ? -35.915 2.897   -13.567 1.00 48.26 ? 78  GLN   B NE2 1 
ATOM   628  N N   . LYS   A 1 73  ? -34.048 -1.810  -13.850 1.00 20.98 ? 79  LYS   B N   1 
ATOM   629  C CA  . LYS   A 1 73  ? -35.000 -2.669  -14.587 1.00 21.05 ? 79  LYS   B CA  1 
ATOM   630  C C   . LYS   A 1 73  ? -35.671 -3.717  -13.660 1.00 17.53 ? 79  LYS   B C   1 
ATOM   631  O O   . LYS   A 1 73  ? -35.076 -4.163  -12.627 1.00 20.74 ? 79  LYS   B O   1 
ATOM   632  C CB  . LYS   A 1 73  ? -34.278 -3.288  -15.781 1.00 21.73 ? 79  LYS   B CB  1 
ATOM   633  C CG  . LYS   A 1 73  ? -33.845 -2.277  -16.851 1.00 20.75 ? 79  LYS   B CG  1 
ATOM   634  C CD  . LYS   A 1 73  ? -33.356 -2.898  -18.143 1.00 22.70 ? 79  LYS   B CD  1 
ATOM   635  C CE  . LYS   A 1 73  ? -34.432 -3.667  -18.883 1.00 19.75 ? 79  LYS   B CE  1 
ATOM   636  N NZ  . LYS   A 1 73  ? -35.637 -2.839  -19.180 1.00 18.22 ? 79  LYS   B NZ  1 
ATOM   637  N N   . GLU   A 1 74  ? -36.943 -3.989  -13.946 1.00 16.93 ? 80  GLU   B N   1 
ATOM   638  C CA  . GLU   A 1 74  ? -37.765 -5.005  -13.261 1.00 16.71 ? 80  GLU   B CA  1 
ATOM   639  C C   . GLU   A 1 74  ? -37.666 -6.353  -13.971 1.00 15.52 ? 80  GLU   B C   1 
ATOM   640  O O   . GLU   A 1 74  ? -37.999 -7.381  -13.384 1.00 15.99 ? 80  GLU   B O   1 
ATOM   641  C CB  . GLU   A 1 74  ? -39.241 -4.579  -13.237 1.00 18.89 ? 80  GLU   B CB  1 
ATOM   642  C CG  . GLU   A 1 74  ? -39.485 -3.334  -12.410 1.00 20.75 ? 80  GLU   B CG  1 
ATOM   643  C CD  . GLU   A 1 74  ? -40.957 -2.905  -12.507 1.00 22.29 ? 80  GLU   B CD  1 
ATOM   644  O OE1 . GLU   A 1 74  ? -41.365 -2.043  -11.723 1.00 24.64 ? 80  GLU   B OE1 1 
ATOM   645  O OE2 . GLU   A 1 74  ? -41.672 -3.434  -13.391 1.00 26.53 ? 80  GLU   B OE2 1 
ATOM   646  N N   . ALA   A 1 75  ? -37.316 -6.370  -15.255 1.00 16.45 ? 81  ALA   B N   1 
ATOM   647  C CA  . ALA   A 1 75  ? -37.319 -7.631  -16.022 1.00 15.51 ? 81  ALA   B CA  1 
ATOM   648  C C   . ALA   A 1 75  ? -36.332 -7.532  -17.173 1.00 16.88 ? 81  ALA   B C   1 
ATOM   649  O O   . ALA   A 1 75  ? -36.282 -6.482  -17.830 1.00 15.50 ? 81  ALA   B O   1 
ATOM   650  C CB  . ALA   A 1 75  ? -38.696 -7.927  -16.580 1.00 18.11 ? 81  ALA   B CB  1 
ATOM   651  N N   . TRP   A 1 76  ? -35.646 -8.621  -17.463 1.00 15.77 ? 82  TRP   B N   1 
ATOM   652  C CA  . TRP   A 1 76  ? -34.622 -8.681  -18.561 1.00 15.85 ? 82  TRP   B CA  1 
ATOM   653  C C   . TRP   A 1 76  ? -34.139 -10.120 -18.699 1.00 15.36 ? 82  TRP   B C   1 
ATOM   654  O O   . TRP   A 1 76  ? -34.269 -10.875 -17.715 1.00 16.19 ? 82  TRP   B O   1 
ATOM   655  C CB  . TRP   A 1 76  ? -33.459 -7.689  -18.352 1.00 16.59 ? 82  TRP   B CB  1 
ATOM   656  C CG  . TRP   A 1 76  ? -32.793 -7.711  -17.012 1.00 16.25 ? 82  TRP   B CG  1 
ATOM   657  C CD1 . TRP   A 1 76  ? -32.995 -6.843  -15.989 1.00 18.79 ? 82  TRP   B CD1 1 
ATOM   658  C CD2 . TRP   A 1 76  ? -31.846 -8.680  -16.517 1.00 16.60 ? 82  TRP   B CD2 1 
ATOM   659  N NE1 . TRP   A 1 76  ? -32.225 -7.173  -14.906 1.00 18.28 ? 82  TRP   B NE1 1 
ATOM   660  C CE2 . TRP   A 1 76  ? -31.534 -8.324  -15.192 1.00 19.04 ? 82  TRP   B CE2 1 
ATOM   661  C CE3 . TRP   A 1 76  ? -31.230 -9.811  -17.090 1.00 19.16 ? 82  TRP   B CE3 1 
ATOM   662  C CZ2 . TRP   A 1 76  ? -30.611 -9.029  -14.423 1.00 16.98 ? 82  TRP   B CZ2 1 
ATOM   663  C CZ3 . TRP   A 1 76  ? -30.349 -10.530 -16.309 1.00 17.24 ? 82  TRP   B CZ3 1 
ATOM   664  C CH2 . TRP   A 1 76  ? -30.063 -10.155 -14.993 1.00 18.83 ? 82  TRP   B CH2 1 
ATOM   665  N N   . ASP   A 1 77  ? -33.554 -10.460 -19.849 1.00 15.08 ? 83  ASP   B N   1 
ATOM   666  C CA  . ASP   A 1 77  ? -32.833 -11.741 -20.085 1.00 15.81 ? 83  ASP   B CA  1 
ATOM   667  C C   . ASP   A 1 77  ? -31.479 -11.353 -20.700 1.00 15.18 ? 83  ASP   B C   1 
ATOM   668  O O   . ASP   A 1 77  ? -31.443 -10.376 -21.544 1.00 14.47 ? 83  ASP   B O   1 
ATOM   669  C CB  . ASP   A 1 77  ? -33.540 -12.708 -21.039 1.00 17.87 ? 83  ASP   B CB  1 
ATOM   670  C CG  . ASP   A 1 77  ? -35.038 -12.917 -20.881 1.00 20.21 ? 83  ASP   B CG  1 
ATOM   671  O OD1 . ASP   A 1 77  ? -35.499 -12.963 -19.774 1.00 23.19 ? 83  ASP   B OD1 1 
ATOM   672  O OD2 . ASP   A 1 77  ? -35.708 -13.078 -21.908 1.00 21.55 ? 83  ASP   B OD2 1 
ATOM   673  N N   . LEU   A 1 78  ? -30.402 -11.980 -20.262 1.00 14.58 ? 84  LEU   B N   1 
ATOM   674  C CA  . LEU   A 1 78  ? -29.043 -11.754 -20.798 1.00 14.60 ? 84  LEU   B CA  1 
ATOM   675  C C   . LEU   A 1 78  ? -28.330 -13.090 -21.001 1.00 14.39 ? 84  LEU   B C   1 
ATOM   676  O O   . LEU   A 1 78  ? -28.478 -14.002 -20.185 1.00 13.18 ? 84  LEU   B O   1 
ATOM   677  C CB  . LEU   A 1 78  ? -28.226 -10.890 -19.860 1.00 15.14 ? 84  LEU   B CB  1 
ATOM   678  C CG  . LEU   A 1 78  ? -28.590 -9.415  -19.775 1.00 16.23 ? 84  LEU   B CG  1 
ATOM   679  C CD1 . LEU   A 1 78  ? -27.764 -8.796  -18.658 1.00 18.45 ? 84  LEU   B CD1 1 
ATOM   680  C CD2 . LEU   A 1 78  ? -28.412 -8.738  -21.123 1.00 17.38 ? 84  LEU   B CD2 1 
ATOM   681  N N   . GLY   A 1 79  ? -27.466 -13.131 -22.013 1.00 13.50 ? 85  GLY   B N   1 
ATOM   682  C CA  . GLY   A 1 79  ? -26.522 -14.237 -22.166 1.00 15.15 ? 85  GLY   B CA  1 
ATOM   683  C C   . GLY   A 1 79  ? -25.988 -14.310 -23.578 1.00 13.45 ? 85  GLY   B C   1 
ATOM   684  O O   . GLY   A 1 79  ? -25.633 -13.285 -24.143 1.00 13.69 ? 85  GLY   B O   1 
ATOM   685  N N   A VAL   A 1 80  ? -25.914 -15.536 -24.099 0.25 13.75 ? 86  VAL   B N   1 
ATOM   686  N N   B VAL   A 1 80  ? -25.961 -15.518 -24.133 0.25 14.08 ? 86  VAL   B N   1 
ATOM   687  C CA  A VAL   A 1 80  ? -25.497 -15.860 -25.493 0.25 14.35 ? 86  VAL   B CA  1 
ATOM   688  C CA  B VAL   A 1 80  ? -25.469 -15.793 -25.512 0.25 14.87 ? 86  VAL   B CA  1 
ATOM   689  C C   A VAL   A 1 80  ? -26.530 -16.797 -26.119 0.25 14.71 ? 86  VAL   B C   1 
ATOM   690  C C   B VAL   A 1 80  ? -26.349 -16.893 -26.117 0.25 15.01 ? 86  VAL   B C   1 
ATOM   691  O O   A VAL   A 1 80  ? -27.322 -17.443 -25.401 0.25 15.41 ? 86  VAL   B O   1 
ATOM   692  O O   B VAL   A 1 80  ? -26.876 -17.736 -25.360 0.25 15.84 ? 86  VAL   B O   1 
ATOM   693  C CB  A VAL   A 1 80  ? -24.095 -16.501 -25.542 0.25 14.85 ? 86  VAL   B CB  1 
ATOM   694  C CB  B VAL   A 1 80  ? -23.974 -16.169 -25.479 0.25 15.80 ? 86  VAL   B CB  1 
ATOM   695  C CG1 A VAL   A 1 80  ? -23.015 -15.487 -25.235 0.25 14.98 ? 86  VAL   B CG1 1 
ATOM   696  C CG1 B VAL   A 1 80  ? -23.751 -17.593 -24.998 0.25 16.43 ? 86  VAL   B CG1 1 
ATOM   697  C CG2 A VAL   A 1 80  ? -23.975 -17.699 -24.608 0.25 15.27 ? 86  VAL   B CG2 1 
ATOM   698  C CG2 B VAL   A 1 80  ? -23.297 -15.964 -26.819 0.25 16.74 ? 86  VAL   B CG2 1 
ATOM   699  N N   . CYS   A 1 81  ? -26.517 -16.877 -27.440 1.00 13.95 ? 87  CYS   B N   1 
ATOM   700  C CA  . CYS   A 1 81  ? -27.333 -17.856 -28.144 1.00 16.15 ? 87  CYS   B CA  1 
ATOM   701  C C   . CYS   A 1 81  ? -26.655 -18.252 -29.444 1.00 15.98 ? 87  CYS   B C   1 
ATOM   702  O O   . CYS   A 1 81  ? -25.756 -17.538 -29.937 1.00 15.76 ? 87  CYS   B O   1 
ATOM   703  C CB  . CYS   A 1 81  ? -28.730 -17.294 -28.362 1.00 17.58 ? 87  CYS   B CB  1 
ATOM   704  S SG  . CYS   A 1 81  ? -28.773 -15.929 -29.562 1.00 18.48 ? 87  CYS   B SG  1 
ATOM   705  N N   A ARG   A 1 82  ? -27.056 -19.401 -29.980 0.25 16.32 ? 88  ARG   B N   1 
ATOM   706  N N   B ARG   A 1 82  ? -27.063 -19.394 -29.988 0.25 15.85 ? 88  ARG   B N   1 
ATOM   707  C CA  A ARG   A 1 82  ? -26.655 -19.836 -31.338 0.25 17.41 ? 88  ARG   B CA  1 
ATOM   708  C CA  B ARG   A 1 82  ? -26.621 -19.873 -31.320 0.25 16.55 ? 88  ARG   B CA  1 
ATOM   709  C C   A ARG   A 1 82  ? -27.111 -18.786 -32.352 0.25 17.40 ? 88  ARG   B C   1 
ATOM   710  C C   B ARG   A 1 82  ? -27.150 -18.907 -32.395 0.25 17.03 ? 88  ARG   B C   1 
ATOM   711  O O   A ARG   A 1 82  ? -28.189 -18.197 -32.172 0.25 17.22 ? 88  ARG   B O   1 
ATOM   712  O O   B ARG   A 1 82  ? -28.330 -18.492 -32.294 0.25 16.50 ? 88  ARG   B O   1 
ATOM   713  C CB  A ARG   A 1 82  ? -27.286 -21.179 -31.708 0.25 18.51 ? 88  ARG   B CB  1 
ATOM   714  C CB  B ARG   A 1 82  ? -27.123 -21.306 -31.532 0.25 16.92 ? 88  ARG   B CB  1 
ATOM   715  C CG  A ARG   A 1 82  ? -26.634 -22.361 -31.018 0.25 19.21 ? 88  ARG   B CG  1 
ATOM   716  C CG  B ARG   A 1 82  ? -26.411 -22.059 -32.644 0.25 16.82 ? 88  ARG   B CG  1 
ATOM   717  C CD  A ARG   A 1 82  ? -27.308 -23.664 -31.383 0.25 20.30 ? 88  ARG   B CD  1 
ATOM   718  C CD  B ARG   A 1 82  ? -26.975 -23.441 -32.857 0.25 17.22 ? 88  ARG   B CD  1 
ATOM   719  N NE  A ARG   A 1 82  ? -27.000 -24.685 -30.391 0.25 19.25 ? 88  ARG   B NE  1 
ATOM   720  N NE  B ARG   A 1 82  ? -26.866 -24.245 -31.659 0.25 17.51 ? 88  ARG   B NE  1 
ATOM   721  C CZ  A ARG   A 1 82  ? -27.858 -25.601 -29.980 0.25 19.46 ? 88  ARG   B CZ  1 
ATOM   722  C CZ  B ARG   A 1 82  ? -27.892 -24.829 -31.050 0.25 16.55 ? 88  ARG   B CZ  1 
ATOM   723  N NH1 A ARG   A 1 82  ? -29.092 -25.609 -30.450 0.25 18.68 ? 88  ARG   B NH1 1 
ATOM   724  N NH1 B ARG   A 1 82  ? -29.103 -24.747 -31.565 0.25 18.05 ? 88  ARG   B NH1 1 
ATOM   725  N NH2 A ARG   A 1 82  ? -27.489 -26.492 -29.078 0.25 20.73 ? 88  ARG   B NH2 1 
ATOM   726  N NH2 B ARG   A 1 82  ? -27.686 -25.529 -29.954 0.25 16.52 ? 88  ARG   B NH2 1 
ATOM   727  N N   . ASP   A 1 83  ? -26.331 -18.603 -33.409 1.00 17.65 ? 89  ASP   B N   1 
ATOM   728  C CA  . ASP   A 1 83  ? -26.722 -17.686 -34.516 1.00 19.46 ? 89  ASP   B CA  1 
ATOM   729  C C   . ASP   A 1 83  ? -28.005 -18.191 -35.170 1.00 20.39 ? 89  ASP   B C   1 
ATOM   730  O O   . ASP   A 1 83  ? -28.734 -17.368 -35.698 1.00 23.66 ? 89  ASP   B O   1 
ATOM   731  C CB  . ASP   A 1 83  ? -25.602 -17.546 -35.538 1.00 22.03 ? 89  ASP   B CB  1 
ATOM   732  C CG  . ASP   A 1 83  ? -25.206 -18.825 -36.259 1.00 27.13 ? 89  ASP   B CG  1 
ATOM   733  O OD1 . ASP   A 1 83  ? -25.629 -19.947 -35.832 1.00 29.90 ? 89  ASP   B OD1 1 
ATOM   734  O OD2 . ASP   A 1 83  ? -24.449 -18.696 -37.241 1.00 32.00 ? 89  ASP   B OD2 1 
ATOM   735  N N   . SER   A 1 84  ? -28.297 -19.495 -35.124 1.00 19.66 ? 90  SER   B N   1 
ATOM   736  C CA  . SER   A 1 84  ? -29.460 -20.103 -35.814 1.00 20.68 ? 90  SER   B CA  1 
ATOM   737  C C   . SER   A 1 84  ? -30.717 -20.241 -34.937 1.00 18.84 ? 90  SER   B C   1 
ATOM   738  O O   . SER   A 1 84  ? -31.633 -20.950 -35.349 1.00 18.90 ? 90  SER   B O   1 
ATOM   739  C CB  . SER   A 1 84  ? -29.057 -21.450 -36.373 1.00 23.41 ? 90  SER   B CB  1 
ATOM   740  O OG  . SER   A 1 84  ? -28.533 -22.258 -35.354 1.00 22.90 ? 90  SER   B OG  1 
ATOM   741  N N   . VAL   A 1 85  ? -30.790 -19.590 -33.772 1.00 17.51 ? 91  VAL   B N   1 
ATOM   742  C CA  . VAL   A 1 85  ? -32.012 -19.654 -32.941 1.00 18.36 ? 91  VAL   B CA  1 
ATOM   743  C C   . VAL   A 1 85  ? -33.222 -19.192 -33.759 1.00 17.17 ? 91  VAL   B C   1 
ATOM   744  O O   . VAL   A 1 85  ? -33.091 -18.255 -34.601 1.00 18.30 ? 91  VAL   B O   1 
ATOM   745  C CB  . VAL   A 1 85  ? -31.899 -18.925 -31.584 1.00 17.06 ? 91  VAL   B CB  1 
ATOM   746  C CG1 . VAL   A 1 85  ? -30.899 -19.605 -30.668 1.00 18.08 ? 91  VAL   B CG1 1 
ATOM   747  C CG2 . VAL   A 1 85  ? -31.642 -17.430 -31.692 1.00 17.03 ? 91  VAL   B CG2 1 
ATOM   748  N N   . GLN   A 1 86  ? -34.359 -19.792 -33.438 1.00 20.43 ? 92  GLN   B N   1 
ATOM   749  C CA  . GLN   A 1 86  ? -35.714 -19.404 -33.934 1.00 22.10 ? 92  GLN   B CA  1 
ATOM   750  C C   . GLN   A 1 86  ? -35.919 -17.910 -33.616 1.00 20.93 ? 92  GLN   B C   1 
ATOM   751  O O   . GLN   A 1 86  ? -35.637 -17.474 -32.479 1.00 21.10 ? 92  GLN   B O   1 
ATOM   752  C CB  . GLN   A 1 86  ? -36.743 -20.309 -33.247 1.00 24.45 ? 92  GLN   B CB  1 
ATOM   753  C CG  . GLN   A 1 86  ? -38.218 -19.963 -33.469 1.00 26.44 ? 92  GLN   B CG  1 
ATOM   754  C CD  . GLN   A 1 86  ? -39.117 -20.802 -32.576 1.00 31.03 ? 92  GLN   B CD  1 
ATOM   755  O OE1 . GLN   A 1 86  ? -38.701 -21.821 -31.989 1.00 31.10 ? 92  GLN   B OE1 1 
ATOM   756  N NE2 . GLN   A 1 86  ? -40.393 -20.406 -32.467 1.00 33.52 ? 92  GLN   B NE2 1 
ATOM   757  N N   . ARG   A 1 87  ? -36.483 -17.175 -34.565 1.00 19.05 ? 93  ARG   B N   1 
ATOM   758  C CA  . ARG   A 1 87  ? -36.760 -15.714 -34.437 1.00 17.81 ? 93  ARG   B CA  1 
ATOM   759  C C   . ARG   A 1 87  ? -38.272 -15.473 -34.269 1.00 20.11 ? 93  ARG   B C   1 
ATOM   760  O O   . ARG   A 1 87  ? -38.612 -14.479 -33.610 1.00 18.92 ? 93  ARG   B O   1 
ATOM   761  C CB  . ARG   A 1 87  ? -36.247 -14.879 -35.619 1.00 18.01 ? 93  ARG   B CB  1 
ATOM   762  C CG  . ARG   A 1 87  ? -34.757 -15.018 -35.909 1.00 17.31 ? 93  ARG   B CG  1 
ATOM   763  C CD  . ARG   A 1 87  ? -33.872 -14.910 -34.670 1.00 19.63 ? 93  ARG   B CD  1 
ATOM   764  N NE  . ARG   A 1 87  ? -32.495 -15.315 -35.009 1.00 21.63 ? 93  ARG   B NE  1 
ATOM   765  C CZ  . ARG   A 1 87  ? -31.566 -14.586 -35.603 1.00 21.31 ? 93  ARG   B CZ  1 
ATOM   766  N NH1 . ARG   A 1 87  ? -31.790 -13.340 -35.974 1.00 23.15 ? 93  ARG   B NH1 1 
ATOM   767  N NH2 . ARG   A 1 87  ? -30.400 -15.140 -35.873 1.00 22.71 ? 93  ARG   B NH2 1 
ATOM   768  N N   . LYS   A 1 88  ? -39.129 -16.293 -34.870 1.00 18.34 ? 94  LYS   B N   1 
ATOM   769  C CA  . LYS   A 1 88  ? -40.583 -16.031 -34.990 1.00 19.21 ? 94  LYS   B CA  1 
ATOM   770  C C   . LYS   A 1 88  ? -41.361 -16.960 -34.089 1.00 21.78 ? 94  LYS   B C   1 
ATOM   771  O O   . LYS   A 1 88  ? -40.962 -18.152 -33.979 1.00 23.63 ? 94  LYS   B O   1 
ATOM   772  C CB  . LYS   A 1 88  ? -41.028 -16.173 -36.451 1.00 20.38 ? 94  LYS   B CB  1 
ATOM   773  C CG  . LYS   A 1 88  ? -40.162 -15.462 -37.470 1.00 22.30 ? 94  LYS   B CG  1 
ATOM   774  C CD  . LYS   A 1 88  ? -40.057 -13.964 -37.230 1.00 21.52 ? 94  LYS   B CD  1 
ATOM   775  C CE  . LYS   A 1 88  ? -39.374 -13.271 -38.379 1.00 22.10 ? 94  LYS   B CE  1 
ATOM   776  N NZ  . LYS   A 1 88  ? -39.247 -11.821 -38.133 1.00 22.95 ? 94  LYS   B NZ  1 
ATOM   777  N N   . GLY   A 1 89  ? -42.439 -16.451 -33.505 1.00 22.72 ? 95  GLY   B N   1 
ATOM   778  C CA  . GLY   A 1 89  ? -43.344 -17.243 -32.660 1.00 23.89 ? 95  GLY   B CA  1 
ATOM   779  C C   . GLY   A 1 89  ? -42.866 -17.387 -31.229 1.00 25.73 ? 95  GLY   B C   1 
ATOM   780  O O   . GLY   A 1 89  ? -41.896 -16.659 -30.822 1.00 23.80 ? 95  GLY   B O   1 
ATOM   781  N N   . GLN   A 1 90  ? -43.514 -18.282 -30.487 1.00 23.74 ? 96  GLN   B N   1 
ATOM   782  C CA  . GLN   A 1 90  ? -43.240 -18.510 -29.047 1.00 26.60 ? 96  GLN   B CA  1 
ATOM   783  C C   . GLN   A 1 90  ? -42.186 -19.601 -28.888 1.00 22.94 ? 96  GLN   B C   1 
ATOM   784  O O   . GLN   A 1 90  ? -42.116 -20.523 -29.741 1.00 23.63 ? 96  GLN   B O   1 
ATOM   785  C CB  . GLN   A 1 90  ? -44.528 -18.869 -28.307 1.00 31.46 ? 96  GLN   B CB  1 
ATOM   786  C CG  . GLN   A 1 90  ? -45.465 -17.685 -28.235 1.00 39.00 ? 96  GLN   B CG  1 
ATOM   787  C CD  . GLN   A 1 90  ? -46.833 -18.136 -27.821 1.00 49.93 ? 96  GLN   B CD  1 
ATOM   788  O OE1 . GLN   A 1 90  ? -47.231 -17.937 -26.675 1.00 59.55 ? 96  GLN   B OE1 1 
ATOM   789  N NE2 . GLN   A 1 90  ? -47.526 -18.790 -28.744 1.00 55.37 ? 96  GLN   B NE2 1 
ATOM   790  N N   . PHE   A 1 91  ? -41.289 -19.413 -27.926 1.00 22.05 ? 97  PHE   B N   1 
ATOM   791  C CA  . PHE   A 1 91  ? -40.228 -20.389 -27.577 1.00 22.72 ? 97  PHE   B CA  1 
ATOM   792  C C   . PHE   A 1 91  ? -39.745 -20.115 -26.156 1.00 21.76 ? 97  PHE   B C   1 
ATOM   793  O O   . PHE   A 1 91  ? -39.913 -18.999 -25.633 1.00 21.22 ? 97  PHE   B O   1 
ATOM   794  C CB  . PHE   A 1 91  ? -39.096 -20.306 -28.597 1.00 22.47 ? 97  PHE   B CB  1 
ATOM   795  C CG  . PHE   A 1 91  ? -38.469 -18.944 -28.699 1.00 22.37 ? 97  PHE   B CG  1 
ATOM   796  C CD1 . PHE   A 1 91  ? -37.460 -18.574 -27.826 1.00 23.16 ? 97  PHE   B CD1 1 
ATOM   797  C CD2 . PHE   A 1 91  ? -38.818 -18.073 -29.712 1.00 22.24 ? 97  PHE   B CD2 1 
ATOM   798  C CE1 . PHE   A 1 91  ? -36.853 -17.332 -27.933 1.00 21.79 ? 97  PHE   B CE1 1 
ATOM   799  C CE2 . PHE   A 1 91  ? -38.193 -16.849 -29.847 1.00 23.57 ? 97  PHE   B CE2 1 
ATOM   800  C CZ  . PHE   A 1 91  ? -37.209 -16.489 -28.956 1.00 22.74 ? 97  PHE   B CZ  1 
ATOM   801  N N   A SER   A 1 92  ? -39.165 -21.127 -25.512 0.25 22.16 ? 98  SER   B N   1 
ATOM   802  N N   B SER   A 1 92  ? -39.144 -21.137 -25.542 0.25 21.38 ? 98  SER   B N   1 
ATOM   803  C CA  A SER   A 1 92  ? -38.545 -20.989 -24.169 0.25 21.94 ? 98  SER   B CA  1 
ATOM   804  C CA  B SER   A 1 92  ? -38.522 -21.067 -24.194 0.25 20.82 ? 98  SER   B CA  1 
ATOM   805  C C   A SER   A 1 92  ? -37.038 -20.804 -24.328 0.25 20.85 ? 98  SER   B C   1 
ATOM   806  C C   B SER   A 1 92  ? -37.022 -20.810 -24.341 0.25 20.22 ? 98  SER   B C   1 
ATOM   807  O O   A SER   A 1 92  ? -36.460 -21.361 -25.302 0.25 20.96 ? 98  SER   B O   1 
ATOM   808  O O   B SER   A 1 92  ? -36.427 -21.313 -25.336 0.25 20.41 ? 98  SER   B O   1 
ATOM   809  C CB  A SER   A 1 92  ? -38.829 -22.177 -23.313 0.25 24.12 ? 98  SER   B CB  1 
ATOM   810  C CB  B SER   A 1 92  ? -38.772 -22.334 -23.429 0.25 21.84 ? 98  SER   B CB  1 
ATOM   811  O OG  A SER   A 1 92  ? -38.664 -23.358 -24.071 0.25 25.72 ? 98  SER   B OG  1 
ATOM   812  O OG  B SER   A 1 92  ? -40.164 -22.508 -23.200 0.25 22.13 ? 98  SER   B OG  1 
ATOM   813  N N   . LEU   A 1 93  ? -36.443 -20.051 -23.405 1.00 18.66 ? 99  LEU   B N   1 
ATOM   814  C CA  . LEU   A 1 93  ? -34.980 -19.876 -23.329 1.00 19.01 ? 99  LEU   B CA  1 
ATOM   815  C C   . LEU   A 1 93  ? -34.393 -21.100 -22.621 1.00 20.11 ? 99  LEU   B C   1 
ATOM   816  O O   . LEU   A 1 93  ? -34.513 -21.220 -21.418 1.00 21.77 ? 99  LEU   B O   1 
ATOM   817  C CB  . LEU   A 1 93  ? -34.639 -18.566 -22.612 1.00 19.06 ? 99  LEU   B CB  1 
ATOM   818  C CG  . LEU   A 1 93  ? -35.104 -17.279 -23.272 1.00 21.58 ? 99  LEU   B CG  1 
ATOM   819  C CD1 . LEU   A 1 93  ? -34.775 -16.077 -22.387 1.00 22.72 ? 99  LEU   B CD1 1 
ATOM   820  C CD2 . LEU   A 1 93  ? -34.532 -17.089 -24.666 1.00 23.27 ? 99  LEU   B CD2 1 
ATOM   821  N N   . SER   A 1 94  ? -33.754 -22.010 -23.355 1.00 19.30 ? 100 SER   B N   1 
ATOM   822  C CA  . SER   A 1 94  ? -33.152 -23.263 -22.843 1.00 19.01 ? 100 SER   B CA  1 
ATOM   823  C C   . SER   A 1 94  ? -31.946 -23.605 -23.706 1.00 18.78 ? 100 SER   B C   1 
ATOM   824  O O   . SER   A 1 94  ? -31.924 -23.243 -24.891 1.00 15.63 ? 100 SER   B O   1 
ATOM   825  C CB  . SER   A 1 94  ? -34.108 -24.404 -22.866 1.00 20.60 ? 100 SER   B CB  1 
ATOM   826  O OG  . SER   A 1 94  ? -34.410 -24.781 -24.201 1.00 23.82 ? 100 SER   B OG  1 
ATOM   827  N N   . PRO   A 1 95  ? -30.975 -24.353 -23.182 1.00 18.03 ? 101 PRO   B N   1 
ATOM   828  C CA  . PRO   A 1 95  ? -29.871 -24.829 -24.022 1.00 19.32 ? 101 PRO   B CA  1 
ATOM   829  C C   . PRO   A 1 95  ? -30.362 -25.721 -25.181 1.00 19.42 ? 101 PRO   B C   1 
ATOM   830  O O   . PRO   A 1 95  ? -29.808 -25.630 -26.309 1.00 17.77 ? 101 PRO   B O   1 
ATOM   831  C CB  . PRO   A 1 95  ? -28.976 -25.571 -23.024 1.00 19.67 ? 101 PRO   B CB  1 
ATOM   832  C CG  . PRO   A 1 95  ? -29.250 -24.833 -21.704 1.00 19.31 ? 101 PRO   B CG  1 
ATOM   833  C CD  . PRO   A 1 95  ? -30.756 -24.638 -21.755 1.00 18.18 ? 101 PRO   B CD  1 
ATOM   834  N N   . GLU   A 1 96  ? -31.452 -26.468 -24.979 1.00 20.60 ? 102 GLU   B N   1 
ATOM   835  C CA  . GLU   A 1 96  ? -32.034 -27.302 -26.081 1.00 25.38 ? 102 GLU   B CA  1 
ATOM   836  C C   . GLU   A 1 96  ? -32.443 -26.400 -27.251 1.00 23.28 ? 102 GLU   B C   1 
ATOM   837  O O   . GLU   A 1 96  ? -32.275 -26.822 -28.432 1.00 23.44 ? 102 GLU   B O   1 
ATOM   838  C CB  . GLU   A 1 96  ? -33.228 -28.132 -25.606 1.00 30.93 ? 102 GLU   B CB  1 
ATOM   839  C CG  . GLU   A 1 96  ? -32.893 -28.994 -24.405 1.00 40.61 ? 102 GLU   B CG  1 
ATOM   840  C CD  . GLU   A 1 96  ? -33.301 -28.414 -23.053 1.00 49.48 ? 102 GLU   B CD  1 
ATOM   841  O OE1 . GLU   A 1 96  ? -32.501 -27.606 -22.457 1.00 33.24 ? 102 GLU   B OE1 1 
ATOM   842  O OE2 . GLU   A 1 96  ? -34.430 -28.779 -22.591 1.00 53.41 ? 102 GLU   B OE2 1 
ATOM   843  N N   . ASN   A 1 97  ? -32.900 -25.166 -26.979 1.00 20.19 ? 103 ASN   B N   1 
ATOM   844  C CA  . ASN   A 1 97  ? -33.308 -24.212 -28.050 1.00 19.97 ? 103 ASN   B CA  1 
ATOM   845  C C   . ASN   A 1 97  ? -32.142 -23.313 -28.505 1.00 17.91 ? 103 ASN   B C   1 
ATOM   846  O O   . ASN   A 1 97  ? -32.376 -22.453 -29.378 1.00 19.99 ? 103 ASN   B O   1 
ATOM   847  C CB  . ASN   A 1 97  ? -34.536 -23.387 -27.634 1.00 20.25 ? 103 ASN   B CB  1 
ATOM   848  C CG  . ASN   A 1 97  ? -35.828 -24.181 -27.584 1.00 24.82 ? 103 ASN   B CG  1 
ATOM   849  O OD1 . ASN   A 1 97  ? -35.946 -25.261 -28.204 1.00 24.13 ? 103 ASN   B OD1 1 
ATOM   850  N ND2 . ASN   A 1 97  ? -36.778 -23.713 -26.789 1.00 25.10 ? 103 ASN   B ND2 1 
ATOM   851  N N   . GLY   A 1 98  ? -30.922 -23.489 -27.975 1.00 17.15 ? 104 GLY   B N   1 
ATOM   852  C CA  . GLY   A 1 98  ? -29.729 -22.731 -28.382 1.00 17.43 ? 104 GLY   B CA  1 
ATOM   853  C C   . GLY   A 1 98  ? -29.527 -21.440 -27.578 1.00 16.83 ? 104 GLY   B C   1 
ATOM   854  O O   . GLY   A 1 98  ? -28.861 -20.564 -28.093 1.00 16.60 ? 104 GLY   B O   1 
ATOM   855  N N   . PHE   A 1 99  ? -29.985 -21.376 -26.317 1.00 17.00 ? 105 PHE   B N   1 
ATOM   856  C CA  . PHE   A 1 99  ? -29.792 -20.180 -25.430 1.00 16.00 ? 105 PHE   B CA  1 
ATOM   857  C C   . PHE   A 1 99  ? -29.097 -20.555 -24.113 1.00 16.26 ? 105 PHE   B C   1 
ATOM   858  O O   . PHE   A 1 99  ? -29.515 -21.572 -23.489 1.00 15.77 ? 105 PHE   B O   1 
ATOM   859  C CB  . PHE   A 1 99  ? -31.139 -19.528 -25.065 1.00 16.77 ? 105 PHE   B CB  1 
ATOM   860  C CG  . PHE   A 1 99  ? -31.929 -19.044 -26.261 1.00 15.20 ? 105 PHE   B CG  1 
ATOM   861  C CD1 . PHE   A 1 99  ? -32.835 -19.857 -26.902 1.00 15.73 ? 105 PHE   B CD1 1 
ATOM   862  C CD2 . PHE   A 1 99  ? -31.806 -17.729 -26.692 1.00 15.67 ? 105 PHE   B CD2 1 
ATOM   863  C CE1 . PHE   A 1 99  ? -33.513 -19.420 -28.021 1.00 17.12 ? 105 PHE   B CE1 1 
ATOM   864  C CE2 . PHE   A 1 99  ? -32.540 -17.263 -27.769 1.00 16.68 ? 105 PHE   B CE2 1 
ATOM   865  C CZ  . PHE   A 1 99  ? -33.421 -18.102 -28.404 1.00 15.55 ? 105 PHE   B CZ  1 
ATOM   866  N N   . TRP   A 1 100 ? -28.142 -19.741 -23.644 1.00 14.71 ? 106 TRP   B N   1 
ATOM   867  C CA  . TRP   A 1 100 ? -27.436 -19.851 -22.340 1.00 13.55 ? 106 TRP   B CA  1 
ATOM   868  C C   . TRP   A 1 100 ? -27.606 -18.491 -21.671 1.00 13.44 ? 106 TRP   B C   1 
ATOM   869  O O   . TRP   A 1 100 ? -26.920 -17.527 -22.053 1.00 14.32 ? 106 TRP   B O   1 
ATOM   870  C CB  . TRP   A 1 100 ? -25.973 -20.305 -22.512 1.00 13.20 ? 106 TRP   B CB  1 
ATOM   871  C CG  . TRP   A 1 100 ? -25.904 -21.654 -23.183 1.00 13.86 ? 106 TRP   B CG  1 
ATOM   872  C CD1 . TRP   A 1 100 ? -25.850 -22.864 -22.546 1.00 15.57 ? 106 TRP   B CD1 1 
ATOM   873  C CD2 . TRP   A 1 100 ? -25.947 -21.954 -24.597 1.00 14.63 ? 106 TRP   B CD2 1 
ATOM   874  N NE1 . TRP   A 1 100 ? -25.851 -23.892 -23.464 1.00 15.11 ? 106 TRP   B NE1 1 
ATOM   875  C CE2 . TRP   A 1 100 ? -25.921 -23.363 -24.720 1.00 16.00 ? 106 TRP   B CE2 1 
ATOM   876  C CE3 . TRP   A 1 100 ? -25.996 -21.181 -25.762 1.00 14.74 ? 106 TRP   B CE3 1 
ATOM   877  C CZ2 . TRP   A 1 100 ? -25.971 -24.012 -25.957 1.00 17.28 ? 106 TRP   B CZ2 1 
ATOM   878  C CZ3 . TRP   A 1 100 ? -26.012 -21.830 -26.980 1.00 16.88 ? 106 TRP   B CZ3 1 
ATOM   879  C CH2 . TRP   A 1 100 ? -26.011 -23.217 -27.071 1.00 17.55 ? 106 TRP   B CH2 1 
ATOM   880  N N   . THR   A 1 101 ? -28.621 -18.411 -20.789 1.00 14.39 ? 107 THR   B N   1 
ATOM   881  C CA  . THR   A 1 101 ? -29.131 -17.095 -20.331 1.00 13.95 ? 107 THR   B CA  1 
ATOM   882  C C   . THR   A 1 101 ? -29.485 -17.159 -18.847 1.00 14.12 ? 107 THR   B C   1 
ATOM   883  O O   . THR   A 1 101 ? -29.736 -18.241 -18.329 1.00 14.33 ? 107 THR   B O   1 
ATOM   884  C CB  . THR   A 1 101 ? -30.373 -16.628 -21.103 1.00 16.12 ? 107 THR   B CB  1 
ATOM   885  O OG1 . THR   A 1 101 ? -31.429 -17.549 -20.862 1.00 16.74 ? 107 THR   B OG1 1 
ATOM   886  C CG2 . THR   A 1 101 ? -30.087 -16.477 -22.581 1.00 15.66 ? 107 THR   B CG2 1 
ATOM   887  N N   . ILE   A 1 102 ? -29.512 -15.978 -18.256 1.00 13.52 ? 108 ILE   B N   1 
ATOM   888  C CA  . ILE   A 1 102 ? -30.148 -15.733 -16.921 1.00 15.07 ? 108 ILE   B CA  1 
ATOM   889  C C   . ILE   A 1 102 ? -31.137 -14.570 -17.093 1.00 16.59 ? 108 ILE   B C   1 
ATOM   890  O O   . ILE   A 1 102 ? -31.138 -13.857 -18.145 1.00 15.07 ? 108 ILE   B O   1 
ATOM   891  C CB  . ILE   A 1 102 ? -29.143 -15.410 -15.804 1.00 16.65 ? 108 ILE   B CB  1 
ATOM   892  C CG1 . ILE   A 1 102 ? -28.466 -14.043 -15.952 1.00 16.83 ? 108 ILE   B CG1 1 
ATOM   893  C CG2 . ILE   A 1 102 ? -28.166 -16.559 -15.611 1.00 17.31 ? 108 ILE   B CG2 1 
ATOM   894  C CD1 . ILE   A 1 102 ? -27.595 -13.638 -14.757 1.00 15.86 ? 108 ILE   B CD1 1 
ATOM   895  N N   . TRP   A 1 103 ? -32.051 -14.476 -16.151 1.00 16.18 ? 109 TRP   B N   1 
ATOM   896  C CA  . TRP   A 1 103 ? -33.039 -13.377 -16.153 1.00 17.10 ? 109 TRP   B CA  1 
ATOM   897  C C   . TRP   A 1 103 ? -33.465 -12.941 -14.768 1.00 16.22 ? 109 TRP   B C   1 
ATOM   898  O O   . TRP   A 1 103 ? -33.303 -13.657 -13.789 1.00 15.61 ? 109 TRP   B O   1 
ATOM   899  C CB  . TRP   A 1 103 ? -34.239 -13.786 -16.977 1.00 21.05 ? 109 TRP   B CB  1 
ATOM   900  C CG  . TRP   A 1 103 ? -35.026 -14.943 -16.460 1.00 21.35 ? 109 TRP   B CG  1 
ATOM   901  C CD1 . TRP   A 1 103 ? -35.881 -14.968 -15.388 1.00 21.15 ? 109 TRP   B CD1 1 
ATOM   902  C CD2 . TRP   A 1 103 ? -35.129 -16.221 -17.094 1.00 22.22 ? 109 TRP   B CD2 1 
ATOM   903  N NE1 . TRP   A 1 103 ? -36.529 -16.163 -15.339 1.00 25.10 ? 109 TRP   B NE1 1 
ATOM   904  C CE2 . TRP   A 1 103 ? -36.113 -16.939 -16.384 1.00 22.28 ? 109 TRP   B CE2 1 
ATOM   905  C CE3 . TRP   A 1 103 ? -34.555 -16.776 -18.244 1.00 23.36 ? 109 TRP   B CE3 1 
ATOM   906  C CZ2 . TRP   A 1 103 ? -36.447 -18.246 -16.720 1.00 24.16 ? 109 TRP   B CZ2 1 
ATOM   907  C CZ3 . TRP   A 1 103 ? -34.926 -18.045 -18.599 1.00 24.98 ? 109 TRP   B CZ3 1 
ATOM   908  C CH2 . TRP   A 1 103 ? -35.861 -18.759 -17.856 1.00 22.74 ? 109 TRP   B CH2 1 
ATOM   909  N N   . LEU   A 1 104 ? -34.003 -11.712 -14.735 1.00 17.02 ? 110 LEU   B N   1 
ATOM   910  C CA  . LEU   A 1 104 ? -34.831 -11.191 -13.653 1.00 16.06 ? 110 LEU   B CA  1 
ATOM   911  C C   . LEU   A 1 104 ? -36.300 -11.166 -14.092 1.00 16.75 ? 110 LEU   B C   1 
ATOM   912  O O   . LEU   A 1 104 ? -36.611 -10.690 -15.198 1.00 15.36 ? 110 LEU   B O   1 
ATOM   913  C CB  . LEU   A 1 104 ? -34.355 -9.770  -13.342 1.00 16.30 ? 110 LEU   B CB  1 
ATOM   914  C CG  . LEU   A 1 104 ? -35.198 -8.978  -12.350 1.00 16.46 ? 110 LEU   B CG  1 
ATOM   915  C CD1 . LEU   A 1 104 ? -35.255 -9.642  -10.984 1.00 17.66 ? 110 LEU   B CD1 1 
ATOM   916  C CD2 . LEU   A 1 104 ? -34.718 -7.544  -12.249 1.00 18.62 ? 110 LEU   B CD2 1 
ATOM   917  N N   . TRP   A 1 105 ? -37.176 -11.597 -13.188 1.00 16.50 ? 111 TRP   B N   1 
ATOM   918  C CA  . TRP   A 1 105 ? -38.632 -11.637 -13.428 1.00 17.90 ? 111 TRP   B CA  1 
ATOM   919  C C   . TRP   A 1 105 ? -39.339 -11.660 -12.074 1.00 21.05 ? 111 TRP   B C   1 
ATOM   920  O O   . TRP   A 1 105 ? -39.043 -12.598 -11.292 1.00 20.00 ? 111 TRP   B O   1 
ATOM   921  C CB  . TRP   A 1 105 ? -38.962 -12.876 -14.281 1.00 22.97 ? 111 TRP   B CB  1 
ATOM   922  C CG  . TRP   A 1 105 ? -40.413 -13.145 -14.402 1.00 26.97 ? 111 TRP   B CG  1 
ATOM   923  C CD1 . TRP   A 1 105 ? -41.161 -14.144 -13.838 1.00 25.66 ? 111 TRP   B CD1 1 
ATOM   924  C CD2 . TRP   A 1 105 ? -41.299 -12.351 -15.186 1.00 27.43 ? 111 TRP   B CD2 1 
ATOM   925  N NE1 . TRP   A 1 105 ? -42.463 -14.013 -14.221 1.00 27.44 ? 111 TRP   B NE1 1 
ATOM   926  C CE2 . TRP   A 1 105 ? -42.579 -12.919 -15.039 1.00 26.55 ? 111 TRP   B CE2 1 
ATOM   927  C CE3 . TRP   A 1 105 ? -41.126 -11.205 -15.958 1.00 28.53 ? 111 TRP   B CE3 1 
ATOM   928  C CZ2 . TRP   A 1 105 ? -43.686 -12.393 -15.684 1.00 31.58 ? 111 TRP   B CZ2 1 
ATOM   929  C CZ3 . TRP   A 1 105 ? -42.227 -10.678 -16.589 1.00 32.26 ? 111 TRP   B CZ3 1 
ATOM   930  C CH2 . TRP   A 1 105 ? -43.489 -11.248 -16.427 1.00 32.65 ? 111 TRP   B CH2 1 
ATOM   931  N N   . GLN   A 1 106 ? -40.192 -10.657 -11.787 1.00 20.00 ? 112 GLN   B N   1 
ATOM   932  C CA  . GLN   A 1 106 ? -41.040 -10.669 -10.562 1.00 20.69 ? 112 GLN   B CA  1 
ATOM   933  C C   . GLN   A 1 106 ? -40.170 -10.871 -9.338  1.00 22.77 ? 112 GLN   B C   1 
ATOM   934  O O   . GLN   A 1 106 ? -40.480 -11.776 -8.483  1.00 24.41 ? 112 GLN   B O   1 
ATOM   935  C CB  . GLN   A 1 106 ? -42.134 -11.731 -10.701 1.00 23.53 ? 112 GLN   B CB  1 
ATOM   936  C CG  . GLN   A 1 106 ? -43.070 -11.446 -11.884 1.00 24.17 ? 112 GLN   B CG  1 
ATOM   937  C CD  . GLN   A 1 106 ? -44.361 -12.230 -11.868 1.00 26.72 ? 112 GLN   B CD  1 
ATOM   938  O OE1 . GLN   A 1 106 ? -45.328 -11.892 -12.562 1.00 30.93 ? 112 GLN   B OE1 1 
ATOM   939  N NE2 . GLN   A 1 106 ? -44.389 -13.281 -11.075 1.00 22.42 ? 112 GLN   B NE2 1 
ATOM   940  N N   . ASP   A 1 107 ? -39.141 -10.047 -9.206  1.00 22.09 ? 113 ASP   B N   1 
ATOM   941  C CA  . ASP   A 1 107 ? -38.321 -9.979  -7.987  1.00 28.16 ? 113 ASP   B CA  1 
ATOM   942  C C   . ASP   A 1 107 ? -37.538 -11.279 -7.739  1.00 27.57 ? 113 ASP   B C   1 
ATOM   943  O O   . ASP   A 1 107 ? -36.995 -11.400 -6.635  1.00 32.84 ? 113 ASP   B O   1 
ATOM   944  C CB  . ASP   A 1 107 ? -39.232 -9.755  -6.776  1.00 31.12 ? 113 ASP   B CB  1 
ATOM   945  C CG  . ASP   A 1 107 ? -38.669 -8.822  -5.742  1.00 41.17 ? 113 ASP   B CG  1 
ATOM   946  O OD1 . ASP   A 1 107 ? -37.600 -8.219  -5.994  1.00 46.97 ? 113 ASP   B OD1 1 
ATOM   947  O OD2 . ASP   A 1 107 ? -39.319 -8.699  -4.683  1.00 60.13 ? 113 ASP   B OD2 1 
ATOM   948  N N   . SER   A 1 108 ? -37.408 -12.180 -8.705  1.00 23.69 ? 114 SER   B N   1 
ATOM   949  C CA  . SER   A 1 108 ? -36.473 -13.329 -8.560  1.00 24.54 ? 114 SER   B CA  1 
ATOM   950  C C   . SER   A 1 108 ? -35.565 -13.483 -9.794  1.00 21.36 ? 114 SER   B C   1 
ATOM   951  O O   . SER   A 1 108 ? -35.944 -13.092 -10.938 1.00 21.05 ? 114 SER   B O   1 
ATOM   952  C CB  . SER   A 1 108 ? -37.211 -14.580 -8.173  1.00 28.61 ? 114 SER   B CB  1 
ATOM   953  O OG  . SER   A 1 108 ? -37.919 -15.125 -9.257  1.00 35.71 ? 114 SER   B OG  1 
ATOM   954  N N   . TYR   A 1 109 ? -34.365 -13.972 -9.535  1.00 18.54 ? 115 TYR   B N   1 
ATOM   955  C CA  . TYR   A 1 109 ? -33.356 -14.256 -10.573 1.00 17.02 ? 115 TYR   B CA  1 
ATOM   956  C C   . TYR   A 1 109 ? -33.350 -15.758 -10.841 1.00 16.89 ? 115 TYR   B C   1 
ATOM   957  O O   . TYR   A 1 109 ? -33.382 -16.560 -9.898  1.00 17.18 ? 115 TYR   B O   1 
ATOM   958  C CB  . TYR   A 1 109 ? -31.994 -13.726 -10.151 1.00 17.25 ? 115 TYR   B CB  1 
ATOM   959  C CG  . TYR   A 1 109 ? -31.953 -12.226 -9.947  1.00 18.39 ? 115 TYR   B CG  1 
ATOM   960  C CD1 . TYR   A 1 109 ? -32.174 -11.693 -8.694  1.00 18.35 ? 115 TYR   B CD1 1 
ATOM   961  C CD2 . TYR   A 1 109 ? -31.578 -11.360 -10.960 1.00 16.53 ? 115 TYR   B CD2 1 
ATOM   962  C CE1 . TYR   A 1 109 ? -32.117 -10.325 -8.459  1.00 19.07 ? 115 TYR   B CE1 1 
ATOM   963  C CE2 . TYR   A 1 109 ? -31.535 -9.984  -10.741 1.00 16.97 ? 115 TYR   B CE2 1 
ATOM   964  C CZ  . TYR   A 1 109 ? -31.782 -9.467  -9.480  1.00 18.76 ? 115 TYR   B CZ  1 
ATOM   965  O OH  . TYR   A 1 109 ? -31.764 -8.117  -9.237  1.00 19.73 ? 115 TYR   B OH  1 
ATOM   966  N N   A GLU   A 1 110 ? -33.297 -16.149 -12.115 0.25 16.80 ? 116 GLU   B N   1 
ATOM   967  N N   B GLU   A 1 110 ? -33.333 -16.135 -12.123 0.25 17.01 ? 116 GLU   B N   1 
ATOM   968  C CA  A GLU   A 1 110 ? -33.306 -17.584 -12.513 0.25 17.39 ? 116 GLU   B CA  1 
ATOM   969  C CA  B GLU   A 1 110 ? -33.352 -17.553 -12.585 0.25 17.74 ? 116 GLU   B CA  1 
ATOM   970  C C   A GLU   A 1 110 ? -32.393 -17.819 -13.720 0.25 16.66 ? 116 GLU   B C   1 
ATOM   971  C C   B GLU   A 1 110 ? -32.276 -17.766 -13.653 0.25 16.89 ? 116 GLU   B C   1 
ATOM   972  O O   A GLU   A 1 110 ? -32.307 -16.946 -14.597 0.25 16.41 ? 116 GLU   B O   1 
ATOM   973  O O   B GLU   A 1 110 ? -31.938 -16.803 -14.351 0.25 17.05 ? 116 GLU   B O   1 
ATOM   974  C CB  A GLU   A 1 110 ? -34.728 -18.050 -12.820 0.25 18.66 ? 116 GLU   B CB  1 
ATOM   975  C CB  B GLU   A 1 110 ? -34.709 -17.921 -13.186 0.25 19.14 ? 116 GLU   B CB  1 
ATOM   976  C CG  A GLU   A 1 110 ? -35.653 -17.988 -11.616 0.25 19.91 ? 116 GLU   B CG  1 
ATOM   977  C CG  B GLU   A 1 110 ? -35.855 -17.865 -12.192 0.25 20.88 ? 116 GLU   B CG  1 
ATOM   978  C CD  A GLU   A 1 110 ? -37.091 -18.355 -11.924 0.25 21.62 ? 116 GLU   B CD  1 
ATOM   979  C CD  B GLU   A 1 110 ? -35.881 -19.014 -11.199 0.25 22.03 ? 116 GLU   B CD  1 
ATOM   980  O OE1 A GLU   A 1 110 ? -37.557 -17.990 -13.020 0.25 23.02 ? 116 GLU   B OE1 1 
ATOM   981  O OE1 B GLU   A 1 110 ? -35.586 -20.164 -11.588 0.25 25.53 ? 116 GLU   B OE1 1 
ATOM   982  O OE2 A GLU   A 1 110 ? -37.728 -19.027 -11.083 0.25 21.06 ? 116 GLU   B OE2 1 
ATOM   983  O OE2 B GLU   A 1 110 ? -36.201 -18.756 -10.040 0.25 26.54 ? 116 GLU   B OE2 1 
ATOM   984  N N   . ALA   A 1 111 ? -31.760 -18.995 -13.773 1.00 17.27 ? 117 ALA   B N   1 
ATOM   985  C CA  . ALA   A 1 111 ? -30.973 -19.424 -14.941 1.00 17.37 ? 117 ALA   B CA  1 
ATOM   986  C C   . ALA   A 1 111 ? -31.906 -20.191 -15.897 1.00 17.15 ? 117 ALA   B C   1 
ATOM   987  O O   . ALA   A 1 111 ? -32.785 -20.994 -15.453 1.00 17.16 ? 117 ALA   B O   1 
ATOM   988  C CB  . ALA   A 1 111 ? -29.784 -20.276 -14.529 1.00 18.69 ? 117 ALA   B CB  1 
ATOM   989  N N   . GLY   A 1 112 ? -31.743 -19.900 -17.187 1.00 17.36 ? 118 GLY   B N   1 
ATOM   990  C CA  . GLY   A 1 112 ? -32.510 -20.471 -18.303 1.00 17.74 ? 118 GLY   B CA  1 
ATOM   991  C C   . GLY   A 1 112 ? -32.182 -21.924 -18.595 1.00 18.87 ? 118 GLY   B C   1 
ATOM   992  O O   . GLY   A 1 112 ? -31.874 -22.246 -19.707 1.00 19.57 ? 118 GLY   B O   1 
ATOM   993  N N   . THR   A 1 113 ? -32.208 -22.791 -17.612 1.00 20.13 ? 119 THR   B N   1 
ATOM   994  C CA  . THR   A 1 113 ? -32.189 -24.254 -17.804 1.00 20.97 ? 119 THR   B CA  1 
ATOM   995  C C   . THR   A 1 113 ? -33.629 -24.712 -18.067 1.00 21.54 ? 119 THR   B C   1 
ATOM   996  O O   . THR   A 1 113 ? -34.542 -23.902 -17.885 1.00 25.21 ? 119 THR   B O   1 
ATOM   997  C CB  . THR   A 1 113 ? -31.578 -24.882 -16.556 1.00 19.55 ? 119 THR   B CB  1 
ATOM   998  O OG1 . THR   A 1 113 ? -32.238 -24.410 -15.379 1.00 19.67 ? 119 THR   B OG1 1 
ATOM   999  C CG2 . THR   A 1 113 ? -30.098 -24.632 -16.412 1.00 20.49 ? 119 THR   B CG2 1 
ATOM   1000 N N   . SER   A 1 114 ? -33.831 -25.998 -18.388 1.00 23.25 ? 120 SER   B N   1 
ATOM   1001 C CA  . SER   A 1 114 ? -35.179 -26.574 -18.566 1.00 27.70 ? 120 SER   B CA  1 
ATOM   1002 C C   . SER   A 1 114 ? -35.336 -27.777 -17.642 1.00 29.38 ? 120 SER   B C   1 
ATOM   1003 O O   . SER   A 1 114 ? -34.702 -28.805 -17.852 1.00 31.38 ? 120 SER   B O   1 
ATOM   1004 C CB  . SER   A 1 114 ? -35.438 -26.972 -20.006 1.00 33.86 ? 120 SER   B CB  1 
ATOM   1005 O OG  . SER   A 1 114 ? -36.806 -27.338 -20.136 1.00 37.78 ? 120 SER   B OG  1 
ATOM   1006 N N   . PRO   A 1 115 ? -36.083 -27.656 -16.528 1.00 28.47 ? 121 PRO   B N   1 
ATOM   1007 C CA  . PRO   A 1 115 ? -36.746 -26.411 -16.136 1.00 28.22 ? 121 PRO   B CA  1 
ATOM   1008 C C   . PRO   A 1 115 ? -35.774 -25.402 -15.509 1.00 24.05 ? 121 PRO   B C   1 
ATOM   1009 O O   . PRO   A 1 115 ? -34.628 -25.739 -15.222 1.00 21.63 ? 121 PRO   B O   1 
ATOM   1010 C CB  . PRO   A 1 115 ? -37.758 -26.890 -15.093 1.00 31.83 ? 121 PRO   B CB  1 
ATOM   1011 C CG  . PRO   A 1 115 ? -37.072 -28.067 -14.433 1.00 31.32 ? 121 PRO   B CG  1 
ATOM   1012 C CD  . PRO   A 1 115 ? -36.232 -28.717 -15.516 1.00 30.10 ? 121 PRO   B CD  1 
ATOM   1013 N N   . GLN   A 1 116 ? -36.234 -24.180 -15.304 1.00 23.80 ? 122 GLN   B N   1 
ATOM   1014 C CA  . GLN   A 1 116 ? -35.363 -23.066 -14.854 1.00 23.48 ? 122 GLN   B CA  1 
ATOM   1015 C C   . GLN   A 1 116 ? -34.854 -23.312 -13.423 1.00 21.01 ? 122 GLN   B C   1 
ATOM   1016 O O   . GLN   A 1 116 ? -35.497 -24.031 -12.651 1.00 21.88 ? 122 GLN   B O   1 
ATOM   1017 C CB  . GLN   A 1 116 ? -36.035 -21.701 -15.003 1.00 28.32 ? 122 GLN   B CB  1 
ATOM   1018 C CG  . GLN   A 1 116 ? -37.051 -21.360 -13.938 1.00 34.60 ? 122 GLN   B CG  1 
ATOM   1019 C CD  . GLN   A 1 116 ? -38.454 -21.551 -14.439 1.00 45.34 ? 122 GLN   B CD  1 
ATOM   1020 O OE1 . GLN   A 1 116 ? -38.763 -22.510 -15.158 1.00 48.82 ? 122 GLN   B OE1 1 
ATOM   1021 N NE2 . GLN   A 1 116 ? -39.312 -20.638 -14.022 1.00 52.66 ? 122 GLN   B NE2 1 
ATOM   1022 N N   . THR   A 1 117 ? -33.693 -22.738 -13.122 1.00 18.22 ? 123 THR   B N   1 
ATOM   1023 C CA  . THR   A 1 117 ? -32.978 -22.888 -11.841 1.00 16.91 ? 123 THR   B CA  1 
ATOM   1024 C C   . THR   A 1 117 ? -33.029 -21.581 -11.059 1.00 16.46 ? 123 THR   B C   1 
ATOM   1025 O O   . THR   A 1 117 ? -32.601 -20.517 -11.603 1.00 18.03 ? 123 THR   B O   1 
ATOM   1026 C CB  . THR   A 1 117 ? -31.533 -23.338 -12.101 1.00 17.44 ? 123 THR   B CB  1 
ATOM   1027 O OG1 . THR   A 1 117 ? -31.619 -24.558 -12.843 1.00 18.58 ? 123 THR   B OG1 1 
ATOM   1028 C CG2 . THR   A 1 117 ? -30.750 -23.535 -10.827 1.00 17.97 ? 123 THR   B CG2 1 
ATOM   1029 N N   . THR   A 1 118 ? -33.419 -21.673 -9.783  1.00 17.14 ? 124 THR   B N   1 
ATOM   1030 C CA  . THR   A 1 118 ? -33.364 -20.533 -8.837  1.00 18.23 ? 124 THR   B CA  1 
ATOM   1031 C C   . THR   A 1 118 ? -31.926 -20.056 -8.606  1.00 17.23 ? 124 THR   B C   1 
ATOM   1032 O O   . THR   A 1 118 ? -31.042 -20.880 -8.339  1.00 21.17 ? 124 THR   B O   1 
ATOM   1033 C CB  . THR   A 1 118 ? -34.057 -20.942 -7.532  1.00 21.37 ? 124 THR   B CB  1 
ATOM   1034 O OG1 . THR   A 1 118 ? -35.409 -21.252 -7.861  1.00 24.08 ? 124 THR   B OG1 1 
ATOM   1035 C CG2 . THR   A 1 118 ? -33.955 -19.860 -6.493  1.00 24.45 ? 124 THR   B CG2 1 
ATOM   1036 N N   . LEU   A 1 119 ? -31.670 -18.749 -8.695  1.00 15.17 ? 125 LEU   B N   1 
ATOM   1037 C CA  . LEU   A 1 119 ? -30.341 -18.167 -8.376  1.00 15.87 ? 125 LEU   B CA  1 
ATOM   1038 C C   . LEU   A 1 119 ? -30.427 -17.564 -6.974  1.00 19.46 ? 125 LEU   B C   1 
ATOM   1039 O O   . LEU   A 1 119 ? -31.547 -17.239 -6.519  1.00 21.34 ? 125 LEU   B O   1 
ATOM   1040 C CB  . LEU   A 1 119 ? -29.928 -17.087 -9.397  1.00 17.23 ? 125 LEU   B CB  1 
ATOM   1041 C CG  . LEU   A 1 119 ? -29.860 -17.601 -10.828 1.00 17.65 ? 125 LEU   B CG  1 
ATOM   1042 C CD1 . LEU   A 1 119 ? -29.632 -16.494 -11.842 1.00 17.51 ? 125 LEU   B CD1 1 
ATOM   1043 C CD2 . LEU   A 1 119 ? -28.796 -18.659 -10.995 1.00 18.99 ? 125 LEU   B CD2 1 
ATOM   1044 N N   . HIS   A 1 120 ? -29.286 -17.439 -6.320  1.00 18.73 ? 126 HIS   B N   1 
ATOM   1045 C CA  . HIS   A 1 120 ? -29.178 -16.988 -4.907  1.00 19.82 ? 126 HIS   B CA  1 
ATOM   1046 C C   . HIS   A 1 120 ? -28.342 -15.716 -4.935  1.00 20.92 ? 126 HIS   B C   1 
ATOM   1047 O O   . HIS   A 1 120 ? -27.095 -15.811 -4.948  1.00 25.55 ? 126 HIS   B O   1 
ATOM   1048 C CB  . HIS   A 1 120 ? -28.528 -18.079 -4.041  1.00 22.62 ? 126 HIS   B CB  1 
ATOM   1049 C CG  . HIS   A 1 120 ? -29.298 -19.368 -4.016  1.00 24.03 ? 126 HIS   B CG  1 
ATOM   1050 N ND1 . HIS   A 1 120 ? -28.965 -20.478 -4.810  1.00 26.23 ? 126 HIS   B ND1 1 
ATOM   1051 C CD2 . HIS   A 1 120 ? -30.437 -19.698 -3.374  1.00 26.61 ? 126 HIS   B CD2 1 
ATOM   1052 C CE1 . HIS   A 1 120 ? -29.869 -21.424 -4.619  1.00 28.21 ? 126 HIS   B CE1 1 
ATOM   1053 N NE2 . HIS   A 1 120 ? -30.750 -20.990 -3.721  1.00 27.33 ? 126 HIS   B NE2 1 
ATOM   1054 N N   . ILE   A 1 121 ? -28.970 -14.562 -4.994  1.00 23.89 ? 127 ILE   B N   1 
ATOM   1055 C CA  . ILE   A 1 121 ? -28.252 -13.262 -5.129  1.00 26.82 ? 127 ILE   B CA  1 
ATOM   1056 C C   . ILE   A 1 121 ? -28.636 -12.405 -3.912  1.00 26.07 ? 127 ILE   B C   1 
ATOM   1057 O O   . ILE   A 1 121 ? -29.818 -12.117 -3.742  1.00 30.52 ? 127 ILE   B O   1 
ATOM   1058 C CB  . ILE   A 1 121 ? -28.580 -12.590 -6.480  1.00 30.73 ? 127 ILE   B CB  1 
ATOM   1059 C CG1 . ILE   A 1 121 ? -28.275 -13.511 -7.667  1.00 27.96 ? 127 ILE   B CG1 1 
ATOM   1060 C CG2 . ILE   A 1 121 ? -27.804 -11.287 -6.599  1.00 34.83 ? 127 ILE   B CG2 1 
ATOM   1061 C CD1 . ILE   A 1 121 ? -28.387 -12.834 -9.025  1.00 29.13 ? 127 ILE   B CD1 1 
ATOM   1062 N N   . GLN   A 1 122 ? -27.668 -12.061 -3.081  1.00 31.03 ? 128 GLN   B N   1 
ATOM   1063 C CA  . GLN   A 1 122 ? -27.896 -11.270 -1.838  1.00 32.54 ? 128 GLN   B CA  1 
ATOM   1064 C C   . GLN   A 1 122 ? -27.904 -9.781  -2.200  1.00 31.06 ? 128 GLN   B C   1 
ATOM   1065 O O   . GLN   A 1 122 ? -28.662 -9.021  -1.577  1.00 28.28 ? 128 GLN   B O   1 
ATOM   1066 C CB  . GLN   A 1 122 ? -26.816 -11.661 -0.819  1.00 38.89 ? 128 GLN   B CB  1 
ATOM   1067 C CG  . GLN   A 1 122 ? -26.868 -10.881 0.500   1.00 49.71 ? 128 GLN   B CG  1 
ATOM   1068 C CD  . GLN   A 1 122 ? -28.177 -10.974 1.261   1.00 54.02 ? 128 GLN   B CD  1 
ATOM   1069 O OE1 . GLN   A 1 122 ? -28.876 -11.987 1.245   1.00 60.33 ? 128 GLN   B OE1 1 
ATOM   1070 N NE2 . GLN   A 1 122 ? -28.529 -9.898  1.950   1.00 56.32 ? 128 GLN   B NE2 1 
ATOM   1071 N N   . VAL   A 1 123 ? -27.139 -9.389  -3.213  1.00 25.90 ? 129 VAL   B N   1 
ATOM   1072 C CA  . VAL   A 1 123 ? -26.958 -7.951  -3.616  1.00 26.12 ? 129 VAL   B CA  1 
ATOM   1073 C C   . VAL   A 1 123 ? -27.483 -7.765  -5.040  1.00 26.09 ? 129 VAL   B C   1 
ATOM   1074 O O   . VAL   A 1 123 ? -26.838 -8.221  -5.992  1.00 25.99 ? 129 VAL   B O   1 
ATOM   1075 C CB  . VAL   A 1 123 ? -25.478 -7.541  -3.512  1.00 27.64 ? 129 VAL   B CB  1 
ATOM   1076 C CG1 . VAL   A 1 123 ? -25.231 -6.121  -4.024  1.00 28.36 ? 129 VAL   B CG1 1 
ATOM   1077 C CG2 . VAL   A 1 123 ? -24.930 -7.692  -2.100  1.00 30.08 ? 129 VAL   B CG2 1 
ATOM   1078 N N   . PRO   A 1 124 ? -28.720 -7.234  -5.225  1.00 26.03 ? 130 PRO   B N   1 
ATOM   1079 C CA  . PRO   A 1 124 ? -29.311 -7.088  -6.559  1.00 24.73 ? 130 PRO   B CA  1 
ATOM   1080 C C   . PRO   A 1 124 ? -28.302 -6.418  -7.476  1.00 22.63 ? 130 PRO   B C   1 
ATOM   1081 O O   . PRO   A 1 124 ? -27.834 -5.343  -7.183  1.00 22.12 ? 130 PRO   B O   1 
ATOM   1082 C CB  . PRO   A 1 124 ? -30.565 -6.221  -6.298  1.00 28.27 ? 130 PRO   B CB  1 
ATOM   1083 C CG  . PRO   A 1 124 ? -30.963 -6.609  -4.865  1.00 27.62 ? 130 PRO   B CG  1 
ATOM   1084 C CD  . PRO   A 1 124 ? -29.659 -6.848  -4.149  1.00 28.11 ? 130 PRO   B CD  1 
ATOM   1085 N N   . PRO   A 1 125 ? -27.913 -7.024  -8.612  1.00 21.68 ? 131 PRO   B N   1 
ATOM   1086 C CA  . PRO   A 1 125 ? -26.903 -6.431  -9.477  1.00 21.39 ? 131 PRO   B CA  1 
ATOM   1087 C C   . PRO   A 1 125 ? -27.372 -5.214  -10.281 1.00 20.96 ? 131 PRO   B C   1 
ATOM   1088 O O   . PRO   A 1 125 ? -28.512 -5.235  -10.756 1.00 21.11 ? 131 PRO   B O   1 
ATOM   1089 C CB  . PRO   A 1 125 ? -26.498 -7.573  -10.436 1.00 21.65 ? 131 PRO   B CB  1 
ATOM   1090 C CG  . PRO   A 1 125 ? -27.545 -8.624  -10.305 1.00 23.25 ? 131 PRO   B CG  1 
ATOM   1091 C CD  . PRO   A 1 125 ? -28.271 -8.395  -9.000  1.00 22.02 ? 131 PRO   B CD  1 
ATOM   1092 N N   . CYS   A 1 126 ? -26.512 -4.199  -10.386 1.00 21.65 ? 132 CYS   B N   1 
ATOM   1093 C CA  . CYS   A 1 126 ? -26.687 -3.075  -11.351 1.00 21.97 ? 132 CYS   B CA  1 
ATOM   1094 C C   . CYS   A 1 126 ? -25.916 -3.346  -12.649 1.00 20.61 ? 132 CYS   B C   1 
ATOM   1095 O O   . CYS   A 1 126 ? -26.278 -2.789  -13.713 1.00 18.15 ? 132 CYS   B O   1 
ATOM   1096 C CB  . CYS   A 1 126 ? -26.271 -1.743  -10.748 1.00 25.47 ? 132 CYS   B CB  1 
ATOM   1097 S SG  . CYS   A 1 126 ? -27.367 -1.292  -9.380  1.00 32.90 ? 132 CYS   B SG  1 
ATOM   1098 N N   A GLN   A 1 127 ? -24.846 -4.150  -12.595 0.25 20.50 ? 133 GLN   B N   1 
ATOM   1099 N N   B GLN   A 1 127 ? -24.895 -4.203  -12.576 0.25 20.56 ? 133 GLN   B N   1 
ATOM   1100 C CA  A GLN   A 1 127 ? -24.113 -4.588  -13.820 0.25 21.33 ? 133 GLN   B CA  1 
ATOM   1101 C CA  B GLN   A 1 127 ? -24.087 -4.606  -13.757 0.25 21.70 ? 133 GLN   B CA  1 
ATOM   1102 C C   A GLN   A 1 127 ? -23.814 -6.087  -13.723 0.25 20.25 ? 133 GLN   B C   1 
ATOM   1103 C C   B GLN   A 1 127 ? -23.864 -6.120  -13.702 0.25 20.38 ? 133 GLN   B C   1 
ATOM   1104 O O   A GLN   A 1 127 ? -23.518 -6.567  -12.605 0.25 20.20 ? 133 GLN   B O   1 
ATOM   1105 O O   B GLN   A 1 127 ? -23.715 -6.658  -12.579 0.25 19.84 ? 133 GLN   B O   1 
ATOM   1106 C CB  A GLN   A 1 127 ? -22.809 -3.816  -14.049 0.25 23.27 ? 133 GLN   B CB  1 
ATOM   1107 C CB  B GLN   A 1 127 ? -22.764 -3.841  -13.788 0.25 24.07 ? 133 GLN   B CB  1 
ATOM   1108 C CG  A GLN   A 1 127 ? -23.001 -2.336  -14.339 0.25 25.38 ? 133 GLN   B CG  1 
ATOM   1109 C CG  B GLN   A 1 127 ? -22.941 -2.336  -13.859 0.25 26.42 ? 133 GLN   B CG  1 
ATOM   1110 C CD  A GLN   A 1 127 ? -22.933 -1.537  -13.063 0.25 27.00 ? 133 GLN   B CD  1 
ATOM   1111 C CD  B GLN   A 1 127 ? -21.668 -1.640  -14.267 0.25 27.45 ? 133 GLN   B CD  1 
ATOM   1112 O OE1 A GLN   A 1 127 ? -22.218 -1.899  -12.132 0.25 27.02 ? 133 GLN   B OE1 1 
ATOM   1113 O OE1 B GLN   A 1 127 ? -20.707 -2.258  -14.726 0.25 31.36 ? 133 GLN   B OE1 1 
ATOM   1114 N NE2 A GLN   A 1 127 ? -23.692 -0.452  -13.005 0.25 27.09 ? 133 GLN   B NE2 1 
ATOM   1115 N NE2 B GLN   A 1 127 ? -21.664 -0.330  -14.113 0.25 28.55 ? 133 GLN   B NE2 1 
ATOM   1116 N N   . ILE   A 1 128 ? -23.879 -6.769  -14.870 1.00 19.86 ? 134 ILE   B N   1 
ATOM   1117 C CA  . ILE   A 1 128 ? -23.693 -8.240  -14.996 1.00 18.31 ? 134 ILE   B CA  1 
ATOM   1118 C C   . ILE   A 1 128 ? -22.481 -8.412  -15.920 1.00 18.55 ? 134 ILE   B C   1 
ATOM   1119 O O   . ILE   A 1 128 ? -22.437 -7.797  -17.027 1.00 17.65 ? 134 ILE   B O   1 
ATOM   1120 C CB  . ILE   A 1 128 ? -24.940 -8.893  -15.585 1.00 19.13 ? 134 ILE   B CB  1 
ATOM   1121 C CG1 . ILE   A 1 128 ? -26.221 -8.678  -14.773 1.00 20.00 ? 134 ILE   B CG1 1 
ATOM   1122 C CG2 . ILE   A 1 128 ? -24.676 -10.372 -15.835 1.00 18.59 ? 134 ILE   B CG2 1 
ATOM   1123 C CD1 . ILE   A 1 128 ? -26.256 -9.411  -13.529 1.00 19.97 ? 134 ILE   B CD1 1 
ATOM   1124 N N   . GLY   A 1 129 ? -21.528 -9.243  -15.523 1.00 19.07 ? 135 GLY   B N   1 
ATOM   1125 C CA  . GLY   A 1 129 ? -20.452 -9.700  -16.415 1.00 17.39 ? 135 GLY   B CA  1 
ATOM   1126 C C   . GLY   A 1 129 ? -20.758 -11.069 -16.997 1.00 17.01 ? 135 GLY   B C   1 
ATOM   1127 O O   . GLY   A 1 129 ? -21.286 -11.942 -16.284 1.00 17.06 ? 135 GLY   B O   1 
ATOM   1128 N N   . ILE   A 1 130 ? -20.550 -11.225 -18.307 1.00 17.42 ? 136 ILE   B N   1 
ATOM   1129 C CA  . ILE   A 1 130 ? -20.776 -12.491 -19.047 1.00 16.47 ? 136 ILE   B CA  1 
ATOM   1130 C C   . ILE   A 1 130 ? -19.447 -12.967 -19.626 1.00 18.22 ? 136 ILE   B C   1 
ATOM   1131 O O   . ILE   A 1 130 ? -18.803 -12.205 -20.290 1.00 17.44 ? 136 ILE   B O   1 
ATOM   1132 C CB  . ILE   A 1 130 ? -21.816 -12.266 -20.151 1.00 17.99 ? 136 ILE   B CB  1 
ATOM   1133 C CG1 . ILE   A 1 130 ? -23.103 -11.738 -19.511 1.00 20.72 ? 136 ILE   B CG1 1 
ATOM   1134 C CG2 . ILE   A 1 130 ? -22.042 -13.541 -20.948 1.00 18.40 ? 136 ILE   B CG2 1 
ATOM   1135 C CD1 . ILE   A 1 130 ? -24.171 -11.363 -20.480 1.00 22.88 ? 136 ILE   B CD1 1 
ATOM   1136 N N   . PHE   A 1 131 ? -19.084 -14.204 -19.328 1.00 18.88 ? 137 PHE   B N   1 
ATOM   1137 C CA  . PHE   A 1 131 ? -17.811 -14.845 -19.742 1.00 16.95 ? 137 PHE   B CA  1 
ATOM   1138 C C   . PHE   A 1 131 ? -18.183 -16.079 -20.552 1.00 16.23 ? 137 PHE   B C   1 
ATOM   1139 O O   . PHE   A 1 131 ? -18.963 -16.923 -20.077 1.00 17.41 ? 137 PHE   B O   1 
ATOM   1140 C CB  . PHE   A 1 131 ? -16.978 -15.251 -18.525 1.00 19.44 ? 137 PHE   B CB  1 
ATOM   1141 C CG  . PHE   A 1 131 ? -15.722 -16.020 -18.876 1.00 20.47 ? 137 PHE   B CG  1 
ATOM   1142 C CD1 . PHE   A 1 131 ? -14.718 -15.399 -19.599 1.00 23.48 ? 137 PHE   B CD1 1 
ATOM   1143 C CD2 . PHE   A 1 131 ? -15.574 -17.357 -18.546 1.00 22.32 ? 137 PHE   B CD2 1 
ATOM   1144 C CE1 . PHE   A 1 131 ? -13.542 -16.082 -19.893 1.00 26.69 ? 137 PHE   B CE1 1 
ATOM   1145 C CE2 . PHE   A 1 131 ? -14.418 -18.051 -18.888 1.00 24.16 ? 137 PHE   B CE2 1 
ATOM   1146 C CZ  . PHE   A 1 131 ? -13.412 -17.416 -19.568 1.00 23.38 ? 137 PHE   B CZ  1 
ATOM   1147 N N   . VAL   A 1 132 ? -17.617 -16.186 -21.752 1.00 15.64 ? 138 VAL   B N   1 
ATOM   1148 C CA  . VAL   A 1 132 ? -17.760 -17.413 -22.580 1.00 15.68 ? 138 VAL   B CA  1 
ATOM   1149 C C   . VAL   A 1 132 ? -16.370 -17.991 -22.861 1.00 16.95 ? 138 VAL   B C   1 
ATOM   1150 O O   . VAL   A 1 132 ? -15.516 -17.285 -23.395 1.00 18.20 ? 138 VAL   B O   1 
ATOM   1151 C CB  . VAL   A 1 132 ? -18.496 -17.109 -23.889 1.00 17.26 ? 138 VAL   B CB  1 
ATOM   1152 C CG1 . VAL   A 1 132 ? -18.629 -18.356 -24.768 1.00 17.40 ? 138 VAL   B CG1 1 
ATOM   1153 C CG2 . VAL   A 1 132 ? -19.853 -16.496 -23.586 1.00 18.76 ? 138 VAL   B CG2 1 
ATOM   1154 N N   . ASP   A 1 133 ? -16.233 -19.288 -22.587 1.00 17.88 ? 139 ASP   B N   1 
ATOM   1155 C CA  . ASP   A 1 133 ? -15.066 -20.097 -23.033 1.00 19.25 ? 139 ASP   B CA  1 
ATOM   1156 C C   . ASP   A 1 133 ? -15.584 -21.122 -24.046 1.00 17.47 ? 139 ASP   B C   1 
ATOM   1157 O O   . ASP   A 1 133 ? -16.227 -22.153 -23.668 1.00 17.99 ? 139 ASP   B O   1 
ATOM   1158 C CB  . ASP   A 1 133 ? -14.310 -20.685 -21.849 1.00 18.86 ? 139 ASP   B CB  1 
ATOM   1159 C CG  . ASP   A 1 133 ? -13.024 -21.387 -22.252 1.00 22.06 ? 139 ASP   B CG  1 
ATOM   1160 O OD1 . ASP   A 1 133 ? -12.917 -21.877 -23.450 1.00 21.05 ? 139 ASP   B OD1 1 
ATOM   1161 O OD2 . ASP   A 1 133 ? -12.182 -21.539 -21.328 1.00 24.80 ? 139 ASP   B OD2 1 
ATOM   1162 N N   . TYR   A 1 134 ? -15.365 -20.804 -25.320 1.00 18.08 ? 140 TYR   B N   1 
ATOM   1163 C CA  . TYR   A 1 134 ? -15.896 -21.621 -26.422 1.00 18.01 ? 140 TYR   B CA  1 
ATOM   1164 C C   . TYR   A 1 134 ? -15.362 -23.061 -26.317 1.00 19.02 ? 140 TYR   B C   1 
ATOM   1165 O O   . TYR   A 1 134 ? -16.128 -24.007 -26.302 1.00 20.48 ? 140 TYR   B O   1 
ATOM   1166 C CB  . TYR   A 1 134 ? -15.608 -21.019 -27.797 1.00 19.66 ? 140 TYR   B CB  1 
ATOM   1167 C CG  . TYR   A 1 134 ? -16.561 -21.577 -28.827 1.00 18.94 ? 140 TYR   B CG  1 
ATOM   1168 C CD1 . TYR   A 1 134 ? -16.415 -22.870 -29.312 1.00 17.89 ? 140 TYR   B CD1 1 
ATOM   1169 C CD2 . TYR   A 1 134 ? -17.694 -20.882 -29.222 1.00 20.75 ? 140 TYR   B CD2 1 
ATOM   1170 C CE1 . TYR   A 1 134 ? -17.316 -23.431 -30.194 1.00 20.69 ? 140 TYR   B CE1 1 
ATOM   1171 C CE2 . TYR   A 1 134 ? -18.617 -21.436 -30.090 1.00 18.08 ? 140 TYR   B CE2 1 
ATOM   1172 C CZ  . TYR   A 1 134 ? -18.411 -22.703 -30.623 1.00 19.47 ? 140 TYR   B CZ  1 
ATOM   1173 O OH  . TYR   A 1 134 ? -19.285 -23.304 -31.487 1.00 18.78 ? 140 TYR   B OH  1 
ATOM   1174 N N   . GLU   A 1 135 ? -14.038 -23.215 -26.233 1.00 21.21 ? 141 GLU   B N   1 
ATOM   1175 C CA  . GLU   A 1 135 ? -13.427 -24.569 -26.268 1.00 22.36 ? 141 GLU   B CA  1 
ATOM   1176 C C   . GLU   A 1 135 ? -13.869 -25.374 -25.045 1.00 21.47 ? 141 GLU   B C   1 
ATOM   1177 O O   . GLU   A 1 135 ? -14.186 -26.556 -25.224 1.00 24.77 ? 141 GLU   B O   1 
ATOM   1178 C CB  . GLU   A 1 135 ? -11.908 -24.470 -26.428 1.00 25.64 ? 141 GLU   B CB  1 
ATOM   1179 C CG  . GLU   A 1 135 ? -11.493 -24.331 -27.905 1.00 32.13 ? 141 GLU   B CG  1 
ATOM   1180 C CD  . GLU   A 1 135 ? -11.900 -23.022 -28.533 1.00 35.14 ? 141 GLU   B CD  1 
ATOM   1181 O OE1 . GLU   A 1 135 ? -12.270 -23.024 -29.681 1.00 35.57 ? 141 GLU   B OE1 1 
ATOM   1182 O OE2 . GLU   A 1 135 ? -11.861 -21.991 -27.832 1.00 44.65 ? 141 GLU   B OE2 1 
ATOM   1183 N N   . ALA   A 1 136 ? -13.918 -24.782 -23.851 1.00 19.83 ? 142 ALA   B N   1 
ATOM   1184 C CA  . ALA   A 1 136 ? -14.306 -25.474 -22.611 1.00 21.28 ? 142 ALA   B CA  1 
ATOM   1185 C C   . ALA   A 1 136 ? -15.814 -25.754 -22.549 1.00 20.92 ? 142 ALA   B C   1 
ATOM   1186 O O   . ALA   A 1 136 ? -16.218 -26.610 -21.724 1.00 21.69 ? 142 ALA   B O   1 
ATOM   1187 C CB  . ALA   A 1 136 ? -13.868 -24.654 -21.423 1.00 22.27 ? 142 ALA   B CB  1 
ATOM   1188 N N   . GLY   A 1 137 ? -16.639 -25.086 -23.355 1.00 17.42 ? 143 GLY   B N   1 
ATOM   1189 C CA  . GLY   A 1 137 ? -18.099 -25.202 -23.257 1.00 16.46 ? 143 GLY   B CA  1 
ATOM   1190 C C   . GLY   A 1 137 ? -18.624 -24.618 -21.949 1.00 17.49 ? 143 GLY   B C   1 
ATOM   1191 O O   . GLY   A 1 137 ? -19.405 -25.310 -21.276 1.00 18.14 ? 143 GLY   B O   1 
ATOM   1192 N N   . VAL   A 1 138 ? -18.278 -23.376 -21.668 1.00 17.05 ? 144 VAL   B N   1 
ATOM   1193 C CA  . VAL   A 1 138 ? -18.630 -22.683 -20.401 1.00 17.39 ? 144 VAL   B CA  1 
ATOM   1194 C C   . VAL   A 1 138 ? -19.231 -21.312 -20.710 1.00 17.46 ? 144 VAL   B C   1 
ATOM   1195 O O   . VAL   A 1 138 ? -18.694 -20.593 -21.601 1.00 18.64 ? 144 VAL   B O   1 
ATOM   1196 C CB  . VAL   A 1 138 ? -17.383 -22.541 -19.519 1.00 18.54 ? 144 VAL   B CB  1 
ATOM   1197 C CG1 . VAL   A 1 138 ? -17.642 -21.595 -18.344 1.00 20.39 ? 144 VAL   B CG1 1 
ATOM   1198 C CG2 . VAL   A 1 138 ? -16.944 -23.917 -19.046 1.00 19.83 ? 144 VAL   B CG2 1 
ATOM   1199 N N   . VAL   A 1 139 ? -20.337 -20.995 -20.034 1.00 15.58 ? 145 VAL   B N   1 
ATOM   1200 C CA  . VAL   A 1 139 ? -20.882 -19.605 -19.960 1.00 15.16 ? 145 VAL   B CA  1 
ATOM   1201 C C   . VAL   A 1 139 ? -21.077 -19.277 -18.470 1.00 14.67 ? 145 VAL   B C   1 
ATOM   1202 O O   . VAL   A 1 139 ? -21.862 -20.017 -17.820 1.00 16.43 ? 145 VAL   B O   1 
ATOM   1203 C CB  . VAL   A 1 139 ? -22.230 -19.475 -20.704 1.00 15.68 ? 145 VAL   B CB  1 
ATOM   1204 C CG1 . VAL   A 1 139 ? -22.685 -18.013 -20.696 1.00 15.25 ? 145 VAL   B CG1 1 
ATOM   1205 C CG2 . VAL   A 1 139 ? -22.101 -20.017 -22.108 1.00 15.95 ? 145 VAL   B CG2 1 
ATOM   1206 N N   . SER   A 1 140 ? -20.467 -18.195 -17.985 1.00 14.07 ? 146 SER   B N   1 
ATOM   1207 C CA  . SER   A 1 140 ? -20.528 -17.799 -16.564 1.00 15.06 ? 146 SER   B CA  1 
ATOM   1208 C C   . SER   A 1 140 ? -21.008 -16.355 -16.446 1.00 14.97 ? 146 SER   B C   1 
ATOM   1209 O O   . SER   A 1 140 ? -20.704 -15.535 -17.304 1.00 16.72 ? 146 SER   B O   1 
ATOM   1210 C CB  . SER   A 1 140 ? -19.152 -17.987 -15.924 1.00 15.68 ? 146 SER   B CB  1 
ATOM   1211 O OG  . SER   A 1 140 ? -18.860 -19.386 -15.806 1.00 16.16 ? 146 SER   B OG  1 
ATOM   1212 N N   . PHE   A 1 141 ? -21.752 -16.098 -15.384 1.00 14.91 ? 147 PHE   B N   1 
ATOM   1213 C CA  . PHE   A 1 141 ? -22.335 -14.776 -15.089 1.00 14.51 ? 147 PHE   B CA  1 
ATOM   1214 C C   . PHE   A 1 141 ? -21.793 -14.316 -13.744 1.00 15.60 ? 147 PHE   B C   1 
ATOM   1215 O O   . PHE   A 1 141 ? -21.812 -15.121 -12.784 1.00 16.23 ? 147 PHE   B O   1 
ATOM   1216 C CB  . PHE   A 1 141 ? -23.875 -14.870 -15.120 1.00 14.29 ? 147 PHE   B CB  1 
ATOM   1217 C CG  . PHE   A 1 141 ? -24.440 -15.285 -16.452 1.00 15.17 ? 147 PHE   B CG  1 
ATOM   1218 C CD1 . PHE   A 1 141 ? -24.532 -16.633 -16.820 1.00 13.82 ? 147 PHE   B CD1 1 
ATOM   1219 C CD2 . PHE   A 1 141 ? -24.936 -14.318 -17.306 1.00 14.99 ? 147 PHE   B CD2 1 
ATOM   1220 C CE1 . PHE   A 1 141 ? -25.045 -16.979 -18.060 1.00 14.97 ? 147 PHE   B CE1 1 
ATOM   1221 C CE2 . PHE   A 1 141 ? -25.473 -14.675 -18.533 1.00 13.12 ? 147 PHE   B CE2 1 
ATOM   1222 C CZ  . PHE   A 1 141 ? -25.510 -16.005 -18.901 1.00 13.34 ? 147 PHE   B CZ  1 
ATOM   1223 N N   . TYR   A 1 142 ? -21.473 -13.028 -13.663 1.00 16.93 ? 148 TYR   B N   1 
ATOM   1224 C CA  . TYR   A 1 142 ? -20.822 -12.417 -12.478 1.00 17.96 ? 148 TYR   B CA  1 
ATOM   1225 C C   . TYR   A 1 142 ? -21.575 -11.146 -12.068 1.00 20.09 ? 148 TYR   B C   1 
ATOM   1226 O O   . TYR   A 1 142 ? -22.069 -10.388 -12.909 1.00 19.00 ? 148 TYR   B O   1 
ATOM   1227 C CB  . TYR   A 1 142 ? -19.345 -12.129 -12.755 1.00 18.12 ? 148 TYR   B CB  1 
ATOM   1228 C CG  . TYR   A 1 142 ? -18.559 -13.375 -13.045 1.00 19.19 ? 148 TYR   B CG  1 
ATOM   1229 C CD1 . TYR   A 1 142 ? -18.056 -14.151 -12.011 1.00 20.69 ? 148 TYR   B CD1 1 
ATOM   1230 C CD2 . TYR   A 1 142 ? -18.344 -13.795 -14.348 1.00 20.21 ? 148 TYR   B CD2 1 
ATOM   1231 C CE1 . TYR   A 1 142 ? -17.367 -15.326 -12.275 1.00 20.83 ? 148 TYR   B CE1 1 
ATOM   1232 C CE2 . TYR   A 1 142 ? -17.651 -14.961 -14.627 1.00 20.56 ? 148 TYR   B CE2 1 
ATOM   1233 C CZ  . TYR   A 1 142 ? -17.124 -15.711 -13.584 1.00 21.26 ? 148 TYR   B CZ  1 
ATOM   1234 O OH  . TYR   A 1 142 ? -16.476 -16.891 -13.839 1.00 22.26 ? 148 TYR   B OH  1 
ATOM   1235 N N   . ASN   A 1 143 ? -21.676 -10.935 -10.764 1.00 20.00 ? 149 ASN   B N   1 
ATOM   1236 C CA  . ASN   A 1 143 ? -22.354 -9.756  -10.140 1.00 20.16 ? 149 ASN   B CA  1 
ATOM   1237 C C   . ASN   A 1 143 ? -21.312 -8.638  -9.952  1.00 22.53 ? 149 ASN   B C   1 
ATOM   1238 O O   . ASN   A 1 143 ? -20.530 -8.669  -8.975  1.00 21.53 ? 149 ASN   B O   1 
ATOM   1239 C CB  . ASN   A 1 143 ? -23.036 -10.197 -8.841  1.00 20.41 ? 149 ASN   B CB  1 
ATOM   1240 C CG  . ASN   A 1 143 ? -23.820 -9.085  -8.176  1.00 19.86 ? 149 ASN   B CG  1 
ATOM   1241 O OD1 . ASN   A 1 143 ? -23.620 -7.910  -8.517  1.00 20.62 ? 149 ASN   B OD1 1 
ATOM   1242 N ND2 . ASN   A 1 143 ? -24.690 -9.451  -7.255  1.00 20.87 ? 149 ASN   B ND2 1 
ATOM   1243 N N   . ILE   A 1 144 ? -21.223 -7.675  -10.868 1.00 20.79 ? 150 ILE   B N   1 
ATOM   1244 C CA  . ILE   A 1 144 ? -20.157 -6.634  -10.838 1.00 22.95 ? 150 ILE   B CA  1 
ATOM   1245 C C   . ILE   A 1 144 ? -20.392 -5.777  -9.566  1.00 23.92 ? 150 ILE   B C   1 
ATOM   1246 O O   . ILE   A 1 144 ? -19.417 -5.342  -8.937  1.00 24.53 ? 150 ILE   B O   1 
ATOM   1247 C CB  . ILE   A 1 144 ? -20.143 -5.819  -12.144 1.00 25.30 ? 150 ILE   B CB  1 
ATOM   1248 C CG1 . ILE   A 1 144 ? -19.975 -6.670  -13.409 1.00 25.13 ? 150 ILE   B CG1 1 
ATOM   1249 C CG2 . ILE   A 1 144 ? -19.094 -4.713  -12.105 1.00 26.40 ? 150 ILE   B CG2 1 
ATOM   1250 C CD1 . ILE   A 1 144 ? -18.900 -7.734  -13.322 1.00 28.65 ? 150 ILE   B CD1 1 
ATOM   1251 N N   . THR   A 1 145 ? -21.645 -5.575  -9.180  1.00 22.38 ? 151 THR   B N   1 
ATOM   1252 C CA  . THR   A 1 145 ? -22.038 -4.731  -8.004  1.00 22.99 ? 151 THR   B CA  1 
ATOM   1253 C C   . THR   A 1 145 ? -21.492 -5.342  -6.712  1.00 27.10 ? 151 THR   B C   1 
ATOM   1254 O O   . THR   A 1 145 ? -21.131 -4.578  -5.796  1.00 29.03 ? 151 THR   B O   1 
ATOM   1255 C CB  . THR   A 1 145 ? -23.567 -4.574  -7.964  1.00 23.43 ? 151 THR   B CB  1 
ATOM   1256 O OG1 . THR   A 1 145 ? -23.986 -4.101  -9.241  1.00 23.41 ? 151 THR   B OG1 1 
ATOM   1257 C CG2 . THR   A 1 145 ? -24.013 -3.613  -6.882  1.00 26.45 ? 151 THR   B CG2 1 
ATOM   1258 N N   . ASP   A 1 146 ? -21.440 -6.669  -6.633  1.00 26.64 ? 152 ASP   B N   1 
ATOM   1259 C CA  . ASP   A 1 146 ? -20.943 -7.421  -5.453  1.00 28.02 ? 152 ASP   B CA  1 
ATOM   1260 C C   . ASP   A 1 146 ? -19.531 -7.976  -5.697  1.00 27.92 ? 152 ASP   B C   1 
ATOM   1261 O O   . ASP   A 1 146 ? -19.358 -9.184  -5.548  1.00 29.39 ? 152 ASP   B O   1 
ATOM   1262 C CB  . ASP   A 1 146 ? -21.962 -8.477  -5.092  1.00 26.63 ? 152 ASP   B CB  1 
ATOM   1263 C CG  . ASP   A 1 146 ? -21.582 -9.247  -3.853  1.00 31.52 ? 152 ASP   B CG  1 
ATOM   1264 O OD1 . ASP   A 1 146 ? -21.122 -8.598  -2.863  1.00 30.61 ? 152 ASP   B OD1 1 
ATOM   1265 O OD2 . ASP   A 1 146 ? -21.749 -10.480 -3.902  1.00 33.25 ? 152 ASP   B OD2 1 
ATOM   1266 N N   . HIS   A 1 147 ? -18.577 -7.126  -6.082  1.00 28.52 ? 153 HIS   B N   1 
ATOM   1267 C CA  . HIS   A 1 147 ? -17.134 -7.475  -6.218  1.00 32.13 ? 153 HIS   B CA  1 
ATOM   1268 C C   . HIS   A 1 147 ? -16.970 -8.657  -7.195  1.00 31.50 ? 153 HIS   B C   1 
ATOM   1269 O O   . HIS   A 1 147 ? -16.061 -9.456  -7.006  1.00 30.80 ? 153 HIS   B O   1 
ATOM   1270 C CB  . HIS   A 1 147 ? -16.510 -7.864  -4.863  1.00 41.00 ? 153 HIS   B CB  1 
ATOM   1271 C CG  . HIS   A 1 147 ? -16.846 -6.995  -3.690  1.00 46.58 ? 153 HIS   B CG  1 
ATOM   1272 N ND1 . HIS   A 1 147 ? -16.230 -5.772  -3.465  1.00 55.83 ? 153 HIS   B ND1 1 
ATOM   1273 C CD2 . HIS   A 1 147 ? -17.677 -7.198  -2.642  1.00 52.27 ? 153 HIS   B CD2 1 
ATOM   1274 C CE1 . HIS   A 1 147 ? -16.701 -5.239  -2.353  1.00 57.36 ? 153 HIS   B CE1 1 
ATOM   1275 N NE2 . HIS   A 1 147 ? -17.591 -6.096  -1.827  1.00 55.88 ? 153 HIS   B NE2 1 
ATOM   1276 N N   . GLY   A 1 148 ? -17.838 -8.806  -8.197  1.00 25.95 ? 154 GLY   B N   1 
ATOM   1277 C CA  . GLY   A 1 148 ? -17.607 -9.823  -9.244  1.00 21.80 ? 154 GLY   B CA  1 
ATOM   1278 C C   . GLY   A 1 148 ? -17.984 -11.217 -8.798  1.00 21.10 ? 154 GLY   B C   1 
ATOM   1279 O O   . GLY   A 1 148 ? -17.445 -12.155 -9.375  1.00 20.67 ? 154 GLY   B O   1 
ATOM   1280 N N   . SER   A 1 149 ? -18.835 -11.372 -7.783  1.00 20.64 ? 155 SER   B N   1 
ATOM   1281 C CA  . SER   A 1 149 ? -19.203 -12.700 -7.226  1.00 19.89 ? 155 SER   B CA  1 
ATOM   1282 C C   . SER   A 1 149 ? -19.912 -13.559 -8.291  1.00 20.35 ? 155 SER   B C   1 
ATOM   1283 O O   . SER   A 1 149 ? -20.673 -13.011 -9.101  1.00 20.05 ? 155 SER   B O   1 
ATOM   1284 C CB  . SER   A 1 149 ? -20.034 -12.558 -5.979  1.00 22.28 ? 155 SER   B CB  1 
ATOM   1285 O OG  . SER   A 1 149 ? -21.248 -11.857 -6.198  1.00 22.86 ? 155 SER   B OG  1 
ATOM   1286 N N   . LEU   A 1 150 ? -19.686 -14.868 -8.301  1.00 19.38 ? 156 LEU   B N   1 
ATOM   1287 C CA  . LEU   A 1 150 ? -20.336 -15.747 -9.308  1.00 18.15 ? 156 LEU   B CA  1 
ATOM   1288 C C   . LEU   A 1 150 ? -21.841 -15.788 -9.085  1.00 17.76 ? 156 LEU   B C   1 
ATOM   1289 O O   . LEU   A 1 150 ? -22.325 -16.014 -7.939  1.00 18.79 ? 156 LEU   B O   1 
ATOM   1290 C CB  . LEU   A 1 150 ? -19.769 -17.169 -9.171  1.00 18.62 ? 156 LEU   B CB  1 
ATOM   1291 C CG  . LEU   A 1 150 ? -20.284 -18.222 -10.149 1.00 19.55 ? 156 LEU   B CG  1 
ATOM   1292 C CD1 . LEU   A 1 150 ? -19.921 -17.928 -11.593 1.00 18.50 ? 156 LEU   B CD1 1 
ATOM   1293 C CD2 . LEU   A 1 150 ? -19.718 -19.604 -9.756  1.00 21.27 ? 156 LEU   B CD2 1 
ATOM   1294 N N   . ILE   A 1 151 ? -22.584 -15.681 -10.163 1.00 15.19 ? 157 ILE   B N   1 
ATOM   1295 C CA  . ILE   A 1 151 ? -24.046 -15.874 -10.184 1.00 16.57 ? 157 ILE   B CA  1 
ATOM   1296 C C   . ILE   A 1 151 ? -24.342 -17.308 -10.639 1.00 16.74 ? 157 ILE   B C   1 
ATOM   1297 O O   . ILE   A 1 151 ? -25.167 -17.999 -10.028 1.00 16.13 ? 157 ILE   B O   1 
ATOM   1298 C CB  . ILE   A 1 151 ? -24.717 -14.801 -11.059 1.00 17.90 ? 157 ILE   B CB  1 
ATOM   1299 C CG1 . ILE   A 1 151 ? -24.558 -13.400 -10.469 1.00 17.39 ? 157 ILE   B CG1 1 
ATOM   1300 C CG2 . ILE   A 1 151 ? -26.196 -15.133 -11.284 1.00 18.26 ? 157 ILE   B CG2 1 
ATOM   1301 C CD1 . ILE   A 1 151 ? -24.967 -12.294 -11.412 1.00 18.96 ? 157 ILE   B CD1 1 
ATOM   1302 N N   . TYR   A 1 152 ? -23.834 -17.681 -11.807 1.00 15.35 ? 158 TYR   B N   1 
ATOM   1303 C CA  . TYR   A 1 152 ? -24.178 -19.000 -12.375 1.00 14.67 ? 158 TYR   B CA  1 
ATOM   1304 C C   . TYR   A 1 152 ? -23.141 -19.389 -13.432 1.00 15.04 ? 158 TYR   B C   1 
ATOM   1305 O O   . TYR   A 1 152 ? -22.696 -18.505 -14.190 1.00 15.91 ? 158 TYR   B O   1 
ATOM   1306 C CB  . TYR   A 1 152 ? -25.551 -18.964 -13.082 1.00 16.05 ? 158 TYR   B CB  1 
ATOM   1307 C CG  . TYR   A 1 152 ? -26.093 -20.316 -13.434 1.00 16.37 ? 158 TYR   B CG  1 
ATOM   1308 C CD1 . TYR   A 1 152 ? -26.735 -21.110 -12.487 1.00 17.12 ? 158 TYR   B CD1 1 
ATOM   1309 C CD2 . TYR   A 1 152 ? -25.968 -20.818 -14.714 1.00 15.13 ? 158 TYR   B CD2 1 
ATOM   1310 C CE1 . TYR   A 1 152 ? -27.176 -22.391 -12.808 1.00 16.60 ? 158 TYR   B CE1 1 
ATOM   1311 C CE2 . TYR   A 1 152 ? -26.405 -22.094 -15.042 1.00 16.08 ? 158 TYR   B CE2 1 
ATOM   1312 C CZ  . TYR   A 1 152 ? -27.020 -22.877 -14.093 1.00 15.94 ? 158 TYR   B CZ  1 
ATOM   1313 O OH  . TYR   A 1 152 ? -27.410 -24.156 -14.373 1.00 18.26 ? 158 TYR   B OH  1 
ATOM   1314 N N   . THR   A 1 153 ? -22.895 -20.702 -13.548 1.00 15.58 ? 159 THR   B N   1 
ATOM   1315 C CA  . THR   A 1 153 ? -22.048 -21.320 -14.599 1.00 16.99 ? 159 THR   B CA  1 
ATOM   1316 C C   . THR   A 1 153 ? -22.815 -22.445 -15.300 1.00 17.20 ? 159 THR   B C   1 
ATOM   1317 O O   . THR   A 1 153 ? -23.215 -23.447 -14.650 1.00 17.36 ? 159 THR   B O   1 
ATOM   1318 C CB  . THR   A 1 153 ? -20.715 -21.853 -14.039 1.00 18.26 ? 159 THR   B CB  1 
ATOM   1319 O OG1 . THR   A 1 153 ? -19.918 -20.740 -13.666 1.00 17.28 ? 159 THR   B OG1 1 
ATOM   1320 C CG2 . THR   A 1 153 ? -19.935 -22.701 -15.024 1.00 18.30 ? 159 THR   B CG2 1 
ATOM   1321 N N   . PHE   A 1 154 ? -23.039 -22.281 -16.604 1.00 15.44 ? 160 PHE   B N   1 
ATOM   1322 C CA  . PHE   A 1 154 ? -23.429 -23.374 -17.532 1.00 15.56 ? 160 PHE   B CA  1 
ATOM   1323 C C   . PHE   A 1 154 ? -22.141 -24.074 -17.954 1.00 17.26 ? 160 PHE   B C   1 
ATOM   1324 O O   . PHE   A 1 154 ? -21.256 -23.435 -18.458 1.00 16.72 ? 160 PHE   B O   1 
ATOM   1325 C CB  . PHE   A 1 154 ? -24.107 -22.865 -18.802 1.00 16.82 ? 160 PHE   B CB  1 
ATOM   1326 C CG  . PHE   A 1 154 ? -25.469 -22.259 -18.637 1.00 13.78 ? 160 PHE   B CG  1 
ATOM   1327 C CD1 . PHE   A 1 154 ? -25.608 -20.882 -18.380 1.00 13.62 ? 160 PHE   B CD1 1 
ATOM   1328 C CD2 . PHE   A 1 154 ? -26.608 -23.013 -18.800 1.00 14.89 ? 160 PHE   B CD2 1 
ATOM   1329 C CE1 . PHE   A 1 154 ? -26.877 -20.320 -18.309 1.00 14.82 ? 160 PHE   B CE1 1 
ATOM   1330 C CE2 . PHE   A 1 154 ? -27.875 -22.429 -18.732 1.00 13.93 ? 160 PHE   B CE2 1 
ATOM   1331 C CZ  . PHE   A 1 154 ? -27.991 -21.074 -18.490 1.00 13.30 ? 160 PHE   B CZ  1 
ATOM   1332 N N   . SER   A 1 155 ? -22.040 -25.373 -17.685 1.00 18.55 ? 161 SER   B N   1 
ATOM   1333 C CA  . SER   A 1 155 ? -20.869 -26.143 -18.118 1.00 19.56 ? 161 SER   B CA  1 
ATOM   1334 C C   . SER   A 1 155 ? -21.327 -27.322 -18.986 1.00 19.51 ? 161 SER   B C   1 
ATOM   1335 O O   . SER   A 1 155 ? -22.558 -27.569 -19.122 1.00 20.76 ? 161 SER   B O   1 
ATOM   1336 C CB  . SER   A 1 155 ? -20.081 -26.551 -16.896 1.00 21.77 ? 161 SER   B CB  1 
ATOM   1337 O OG  . SER   A 1 155 ? -20.719 -27.593 -16.203 1.00 24.35 ? 161 SER   B OG  1 
ATOM   1338 N N   . GLU   A 1 156 ? -20.380 -27.933 -19.693 1.00 22.44 ? 162 GLU   B N   1 
ATOM   1339 C CA  . GLU   A 1 156 ? -20.696 -28.979 -20.707 1.00 23.50 ? 162 GLU   B CA  1 
ATOM   1340 C C   . GLU   A 1 156 ? -21.673 -28.431 -21.762 1.00 22.58 ? 162 GLU   B C   1 
ATOM   1341 O O   . GLU   A 1 156 ? -22.553 -29.196 -22.244 1.00 23.14 ? 162 GLU   B O   1 
ATOM   1342 C CB  . GLU   A 1 156 ? -21.309 -30.210 -20.047 1.00 28.50 ? 162 GLU   B CB  1 
ATOM   1343 C CG  . GLU   A 1 156 ? -20.594 -30.622 -18.784 1.00 35.99 ? 162 GLU   B CG  1 
ATOM   1344 C CD  . GLU   A 1 156 ? -21.056 -31.954 -18.231 1.00 47.26 ? 162 GLU   B CD  1 
ATOM   1345 O OE1 . GLU   A 1 156 ? -22.296 -32.148 -18.094 1.00 50.57 ? 162 GLU   B OE1 1 
ATOM   1346 O OE2 . GLU   A 1 156 ? -20.177 -32.797 -17.952 1.00 56.80 ? 162 GLU   B OE2 1 
ATOM   1347 N N   . CYS   A 1 157 ? -21.539 -27.154 -22.131 1.00 21.40 ? 163 CYS   B N   1 
ATOM   1348 C CA  . CYS   A 1 157 ? -22.420 -26.539 -23.161 1.00 18.80 ? 163 CYS   B CA  1 
ATOM   1349 C C   . CYS   A 1 157 ? -22.175 -27.203 -24.511 1.00 21.03 ? 163 CYS   B C   1 
ATOM   1350 O O   . CYS   A 1 157 ? -20.980 -27.375 -24.894 1.00 20.72 ? 163 CYS   B O   1 
ATOM   1351 C CB  . CYS   A 1 157 ? -22.228 -25.036 -23.289 1.00 17.86 ? 163 CYS   B CB  1 
ATOM   1352 S SG  . CYS   A 1 157 ? -22.584 -24.134 -21.746 1.00 19.62 ? 163 CYS   B SG  1 
ATOM   1353 N N   . VAL   A 1 158 ? -23.256 -27.451 -25.250 1.00 20.30 ? 164 VAL   B N   1 
ATOM   1354 C CA  . VAL   A 1 158 ? -23.143 -27.909 -26.657 1.00 23.19 ? 164 VAL   B CA  1 
ATOM   1355 C C   . VAL   A 1 158 ? -23.562 -26.756 -27.583 1.00 20.30 ? 164 VAL   B C   1 
ATOM   1356 O O   . VAL   A 1 158 ? -24.738 -26.649 -27.987 1.00 21.98 ? 164 VAL   B O   1 
ATOM   1357 C CB  . VAL   A 1 158 ? -23.932 -29.220 -26.875 1.00 26.43 ? 164 VAL   B CB  1 
ATOM   1358 C CG1 . VAL   A 1 158 ? -23.829 -29.684 -28.320 1.00 28.15 ? 164 VAL   B CG1 1 
ATOM   1359 C CG2 . VAL   A 1 158 ? -23.473 -30.311 -25.910 1.00 29.59 ? 164 VAL   B CG2 1 
ATOM   1360 N N   . PHE   A 1 159 ? -22.626 -25.865 -27.909 1.00 17.99 ? 165 PHE   B N   1 
ATOM   1361 C CA  . PHE   A 1 159 ? -22.924 -24.604 -28.627 1.00 18.53 ? 165 PHE   B CA  1 
ATOM   1362 C C   . PHE   A 1 159 ? -23.486 -24.975 -30.010 1.00 21.39 ? 165 PHE   B C   1 
ATOM   1363 O O   . PHE   A 1 159 ? -24.550 -24.466 -30.397 1.00 20.26 ? 165 PHE   B O   1 
ATOM   1364 C CB  . PHE   A 1 159 ? -21.711 -23.683 -28.610 1.00 18.58 ? 165 PHE   B CB  1 
ATOM   1365 C CG  . PHE   A 1 159 ? -21.289 -23.197 -27.239 1.00 17.02 ? 165 PHE   B CG  1 
ATOM   1366 C CD1 . PHE   A 1 159 ? -22.232 -22.689 -26.361 1.00 16.79 ? 165 PHE   B CD1 1 
ATOM   1367 C CD2 . PHE   A 1 159 ? -19.952 -23.196 -26.854 1.00 17.47 ? 165 PHE   B CD2 1 
ATOM   1368 C CE1 . PHE   A 1 159 ? -21.861 -22.237 -25.100 1.00 16.62 ? 165 PHE   B CE1 1 
ATOM   1369 C CE2 . PHE   A 1 159 ? -19.573 -22.710 -25.618 1.00 18.76 ? 165 PHE   B CE2 1 
ATOM   1370 C CZ  . PHE   A 1 159 ? -20.533 -22.256 -24.741 1.00 17.23 ? 165 PHE   B CZ  1 
ATOM   1371 N N   . ALA   A 1 160 ? -22.828 -25.896 -30.711 1.00 19.94 ? 166 ALA   B N   1 
ATOM   1372 C CA  . ALA   A 1 160 ? -23.294 -26.453 -31.996 1.00 20.58 ? 166 ALA   B CA  1 
ATOM   1373 C C   . ALA   A 1 160 ? -23.384 -25.378 -33.086 1.00 20.99 ? 166 ALA   B C   1 
ATOM   1374 O O   . ALA   A 1 160 ? -24.192 -25.556 -34.009 1.00 21.10 ? 166 ALA   B O   1 
ATOM   1375 C CB  . ALA   A 1 160 ? -24.606 -27.149 -31.824 1.00 21.16 ? 166 ALA   B CB  1 
ATOM   1376 N N   . GLY   A 1 161 ? -22.628 -24.300 -32.966 1.00 21.40 ? 167 GLY   B N   1 
ATOM   1377 C CA  . GLY   A 1 161 ? -22.529 -23.243 -33.983 1.00 21.25 ? 167 GLY   B CA  1 
ATOM   1378 C C   . GLY   A 1 161 ? -21.919 -21.973 -33.432 1.00 20.16 ? 167 GLY   B C   1 
ATOM   1379 O O   . GLY   A 1 161 ? -21.531 -21.924 -32.249 1.00 19.92 ? 167 GLY   B O   1 
ATOM   1380 N N   . PRO   A 1 162 ? -21.810 -20.948 -34.288 1.00 17.72 ? 168 PRO   B N   1 
ATOM   1381 C CA  . PRO   A 1 162 ? -21.361 -19.640 -33.853 1.00 18.27 ? 168 PRO   B CA  1 
ATOM   1382 C C   . PRO   A 1 162 ? -22.309 -19.099 -32.773 1.00 18.13 ? 168 PRO   B C   1 
ATOM   1383 O O   . PRO   A 1 162 ? -23.536 -19.353 -32.822 1.00 18.18 ? 168 PRO   B O   1 
ATOM   1384 C CB  . PRO   A 1 162 ? -21.364 -18.761 -35.111 1.00 18.33 ? 168 PRO   B CB  1 
ATOM   1385 C CG  . PRO   A 1 162 ? -21.500 -19.745 -36.263 1.00 18.67 ? 168 PRO   B CG  1 
ATOM   1386 C CD  . PRO   A 1 162 ? -22.184 -20.970 -35.718 1.00 18.35 ? 168 PRO   B CD  1 
ATOM   1387 N N   . LEU   A 1 163 ? -21.744 -18.340 -31.837 1.00 17.62 ? 169 LEU   B N   1 
ATOM   1388 C CA  . LEU   A 1 163 ? -22.530 -17.719 -30.730 1.00 16.62 ? 169 LEU   B CA  1 
ATOM   1389 C C   . LEU   A 1 163 ? -22.652 -16.213 -30.970 1.00 16.36 ? 169 LEU   B C   1 
ATOM   1390 O O   . LEU   A 1 163 ? -21.705 -15.579 -31.471 1.00 18.13 ? 169 LEU   B O   1 
ATOM   1391 C CB  . LEU   A 1 163 ? -21.822 -17.964 -29.398 1.00 16.48 ? 169 LEU   B CB  1 
ATOM   1392 C CG  . LEU   A 1 163 ? -21.846 -19.405 -28.857 1.00 15.42 ? 169 LEU   B CG  1 
ATOM   1393 C CD1 . LEU   A 1 163 ? -21.042 -19.460 -27.571 1.00 17.84 ? 169 LEU   B CD1 1 
ATOM   1394 C CD2 . LEU   A 1 163 ? -23.281 -19.868 -28.641 1.00 17.53 ? 169 LEU   B CD2 1 
ATOM   1395 N N   . ARG   A 1 164 ? -23.805 -15.666 -30.598 1.00 16.26 ? 170 ARG   B N   1 
ATOM   1396 C CA  . ARG   A 1 164 ? -24.022 -14.201 -30.563 1.00 16.44 ? 170 ARG   B CA  1 
ATOM   1397 C C   . ARG   A 1 164 ? -24.446 -13.735 -29.178 1.00 15.42 ? 170 ARG   B C   1 
ATOM   1398 O O   . ARG   A 1 164 ? -25.203 -14.408 -28.495 1.00 16.92 ? 170 ARG   B O   1 
ATOM   1399 C CB  . ARG   A 1 164 ? -25.069 -13.871 -31.622 1.00 18.80 ? 170 ARG   B CB  1 
ATOM   1400 C CG  . ARG   A 1 164 ? -24.539 -14.229 -33.010 1.00 21.26 ? 170 ARG   B CG  1 
ATOM   1401 C CD  . ARG   A 1 164 ? -25.391 -13.811 -34.153 1.00 24.44 ? 170 ARG   B CD  1 
ATOM   1402 N NE  . ARG   A 1 164 ? -25.466 -12.360 -34.248 1.00 22.85 ? 170 ARG   B NE  1 
ATOM   1403 C CZ  . ARG   A 1 164 ? -26.177 -11.733 -35.175 1.00 23.69 ? 170 ARG   B CZ  1 
ATOM   1404 N NH1 . ARG   A 1 164 ? -26.778 -12.447 -36.102 1.00 21.51 ? 170 ARG   B NH1 1 
ATOM   1405 N NH2 . ARG   A 1 164 ? -26.229 -10.405 -35.201 1.00 20.44 ? 170 ARG   B NH2 1 
ATOM   1406 N N   . PRO   A 1 165 ? -24.002 -12.540 -28.742 1.00 16.64 ? 171 PRO   B N   1 
ATOM   1407 C CA  . PRO   A 1 165 ? -24.500 -11.935 -27.492 1.00 16.07 ? 171 PRO   B CA  1 
ATOM   1408 C C   . PRO   A 1 165 ? -26.027 -11.794 -27.650 1.00 16.36 ? 171 PRO   B C   1 
ATOM   1409 O O   . PRO   A 1 165 ? -26.493 -11.444 -28.735 1.00 15.44 ? 171 PRO   B O   1 
ATOM   1410 C CB  . PRO   A 1 165 ? -23.811 -10.569 -27.421 1.00 15.90 ? 171 PRO   B CB  1 
ATOM   1411 C CG  . PRO   A 1 165 ? -22.539 -10.770 -28.240 1.00 17.25 ? 171 PRO   B CG  1 
ATOM   1412 C CD  . PRO   A 1 165 ? -22.960 -11.706 -29.362 1.00 18.07 ? 171 PRO   B CD  1 
ATOM   1413 N N   . PHE   A 1 166 ? -26.772 -12.069 -26.590 1.00 14.25 ? 172 PHE   B N   1 
ATOM   1414 C CA  . PHE   A 1 166 ? -28.259 -12.105 -26.573 1.00 14.22 ? 172 PHE   B CA  1 
ATOM   1415 C C   . PHE   A 1 166 ? -28.789 -11.155 -25.479 1.00 14.47 ? 172 PHE   B C   1 
ATOM   1416 O O   . PHE   A 1 166 ? -28.254 -11.128 -24.319 1.00 14.74 ? 172 PHE   B O   1 
ATOM   1417 C CB  . PHE   A 1 166 ? -28.724 -13.542 -26.329 1.00 14.00 ? 172 PHE   B CB  1 
ATOM   1418 C CG  . PHE   A 1 166 ? -30.213 -13.625 -26.129 1.00 15.06 ? 172 PHE   B CG  1 
ATOM   1419 C CD1 . PHE   A 1 166 ? -31.063 -13.577 -27.222 1.00 15.38 ? 172 PHE   B CD1 1 
ATOM   1420 C CD2 . PHE   A 1 166 ? -30.755 -13.627 -24.856 1.00 15.70 ? 172 PHE   B CD2 1 
ATOM   1421 C CE1 . PHE   A 1 166 ? -32.434 -13.656 -27.050 1.00 16.92 ? 172 PHE   B CE1 1 
ATOM   1422 C CE2 . PHE   A 1 166 ? -32.125 -13.686 -24.675 1.00 16.13 ? 172 PHE   B CE2 1 
ATOM   1423 C CZ  . PHE   A 1 166 ? -32.952 -13.715 -25.770 1.00 15.37 ? 172 PHE   B CZ  1 
ATOM   1424 N N   . PHE   A 1 167 ? -29.845 -10.386 -25.812 1.00 15.07 ? 173 PHE   B N   1 
ATOM   1425 C CA  . PHE   A 1 167 ? -30.436 -9.348  -24.931 1.00 14.43 ? 173 PHE   B CA  1 
ATOM   1426 C C   . PHE   A 1 167 ? -31.961 -9.429  -25.011 1.00 15.25 ? 173 PHE   B C   1 
ATOM   1427 O O   . PHE   A 1 167 ? -32.460 -9.552  -26.134 1.00 17.01 ? 173 PHE   B O   1 
ATOM   1428 C CB  . PHE   A 1 167 ? -29.972 -7.931  -25.343 1.00 14.38 ? 173 PHE   B CB  1 
ATOM   1429 C CG  . PHE   A 1 167 ? -28.469 -7.783  -25.432 1.00 15.44 ? 173 PHE   B CG  1 
ATOM   1430 C CD1 . PHE   A 1 167 ? -27.823 -8.142  -26.596 1.00 15.25 ? 173 PHE   B CD1 1 
ATOM   1431 C CD2 . PHE   A 1 167 ? -27.719 -7.360  -24.340 1.00 16.05 ? 173 PHE   B CD2 1 
ATOM   1432 C CE1 . PHE   A 1 167 ? -26.432 -8.071  -26.699 1.00 15.87 ? 173 PHE   B CE1 1 
ATOM   1433 C CE2 . PHE   A 1 167 ? -26.340 -7.236  -24.451 1.00 16.36 ? 173 PHE   B CE2 1 
ATOM   1434 C CZ  . PHE   A 1 167 ? -25.707 -7.615  -25.631 1.00 17.33 ? 173 PHE   B CZ  1 
ATOM   1435 N N   . ASN   A 1 168 ? -32.649 -9.224  -23.874 1.00 14.44 ? 174 ASN   B N   1 
ATOM   1436 C CA  . ASN   A 1 168 ? -34.122 -9.033  -23.852 1.00 13.46 ? 174 ASN   B CA  1 
ATOM   1437 C C   . ASN   A 1 168 ? -34.373 -7.872  -22.894 1.00 15.13 ? 174 ASN   B C   1 
ATOM   1438 O O   . ASN   A 1 168 ? -33.988 -8.035  -21.715 1.00 14.93 ? 174 ASN   B O   1 
ATOM   1439 C CB  . ASN   A 1 168 ? -34.866 -10.287 -23.436 1.00 13.99 ? 174 ASN   B CB  1 
ATOM   1440 C CG  . ASN   A 1 168 ? -36.367 -10.098 -23.550 1.00 15.74 ? 174 ASN   B CG  1 
ATOM   1441 O OD1 . ASN   A 1 168 ? -36.843 -9.006  -23.804 1.00 16.22 ? 174 ASN   B OD1 1 
ATOM   1442 N ND2 . ASN   A 1 168 ? -37.103 -11.162 -23.360 1.00 17.85 ? 174 ASN   B ND2 1 
ATOM   1443 N N   . VAL   A 1 169 ? -34.858 -6.710  -23.377 1.00 14.28 ? 175 VAL   B N   1 
ATOM   1444 C CA  . VAL   A 1 169 ? -35.068 -5.542  -22.455 1.00 14.47 ? 175 VAL   B CA  1 
ATOM   1445 C C   . VAL   A 1 169 ? -36.329 -5.775  -21.602 1.00 15.91 ? 175 VAL   B C   1 
ATOM   1446 O O   . VAL   A 1 169 ? -36.575 -4.981  -20.656 1.00 16.67 ? 175 VAL   B O   1 
ATOM   1447 C CB  . VAL   A 1 169 ? -35.150 -4.199  -23.207 1.00 15.66 ? 175 VAL   B CB  1 
ATOM   1448 C CG1 . VAL   A 1 169 ? -33.847 -3.895  -23.898 1.00 16.80 ? 175 VAL   B CG1 1 
ATOM   1449 C CG2 . VAL   A 1 169 ? -36.315 -4.170  -24.188 1.00 15.42 ? 175 VAL   B CG2 1 
ATOM   1450 N N   . GLY   A 1 170 ? -37.139 -6.772  -21.973 1.00 17.69 ? 176 GLY   B N   1 
ATOM   1451 C CA  . GLY   A 1 170 ? -38.413 -7.071  -21.285 1.00 18.03 ? 176 GLY   B CA  1 
ATOM   1452 C C   . GLY   A 1 170 ? -39.541 -6.171  -21.703 1.00 16.12 ? 176 GLY   B C   1 
ATOM   1453 O O   . GLY   A 1 170 ? -39.308 -5.082  -22.245 1.00 16.45 ? 176 GLY   B O   1 
ATOM   1454 N N   . PHE   A 1 171 ? -40.765 -6.594  -21.429 1.00 16.91 ? 177 PHE   B N   1 
ATOM   1455 C CA  . PHE   A 1 171 ? -41.976 -5.784  -21.638 1.00 18.00 ? 177 PHE   B CA  1 
ATOM   1456 C C   . PHE   A 1 171 ? -42.030 -4.682  -20.586 1.00 17.04 ? 177 PHE   B C   1 
ATOM   1457 O O   . PHE   A 1 171 ? -41.293 -4.744  -19.572 1.00 14.75 ? 177 PHE   B O   1 
ATOM   1458 C CB  . PHE   A 1 171 ? -43.240 -6.641  -21.631 1.00 18.28 ? 177 PHE   B CB  1 
ATOM   1459 C CG  . PHE   A 1 171 ? -43.344 -7.548  -22.831 1.00 19.38 ? 177 PHE   B CG  1 
ATOM   1460 C CD1 . PHE   A 1 171 ? -43.749 -7.060  -24.062 1.00 21.22 ? 177 PHE   B CD1 1 
ATOM   1461 C CD2 . PHE   A 1 171 ? -43.089 -8.897  -22.713 1.00 20.41 ? 177 PHE   B CD2 1 
ATOM   1462 C CE1 . PHE   A 1 171 ? -43.842 -7.904  -25.164 1.00 22.82 ? 177 PHE   B CE1 1 
ATOM   1463 C CE2 . PHE   A 1 171 ? -43.211 -9.742  -23.803 1.00 20.83 ? 177 PHE   B CE2 1 
ATOM   1464 C CZ  . PHE   A 1 171 ? -43.595 -9.242  -25.025 1.00 20.61 ? 177 PHE   B CZ  1 
ATOM   1465 N N   . ASN   A 1 172 ? -42.903 -3.709  -20.812 1.00 16.50 ? 178 ASN   B N   1 
ATOM   1466 C CA  . ASN   A 1 172 ? -43.096 -2.624  -19.816 1.00 15.86 ? 178 ASN   B CA  1 
ATOM   1467 C C   . ASN   A 1 172 ? -44.605 -2.433  -19.587 1.00 16.67 ? 178 ASN   B C   1 
ATOM   1468 O O   . ASN   A 1 172 ? -45.083 -1.282  -19.680 1.00 17.94 ? 178 ASN   B O   1 
ATOM   1469 C CB  . ASN   A 1 172 ? -42.411 -1.356  -20.285 1.00 17.45 ? 178 ASN   B CB  1 
ATOM   1470 C CG  . ASN   A 1 172 ? -42.461 -0.237  -19.278 1.00 17.53 ? 178 ASN   B CG  1 
ATOM   1471 O OD1 . ASN   A 1 172 ? -42.482 -0.457  -18.078 1.00 16.76 ? 178 ASN   B OD1 1 
ATOM   1472 N ND2 . ASN   A 1 172 ? -42.442 1.000   -19.771 1.00 18.90 ? 178 ASN   B ND2 1 
ATOM   1473 N N   . TYR   A 1 173 ? -45.297 -3.481  -19.206 1.00 17.56 ? 179 TYR   B N   1 
ATOM   1474 C CA  . TYR   A 1 173 ? -46.744 -3.393  -18.840 1.00 17.13 ? 179 TYR   B CA  1 
ATOM   1475 C C   . TYR   A 1 173 ? -46.900 -2.550  -17.564 1.00 19.24 ? 179 TYR   B C   1 
ATOM   1476 O O   . TYR   A 1 173 ? -47.974 -1.928  -17.349 1.00 19.16 ? 179 TYR   B O   1 
ATOM   1477 C CB  . TYR   A 1 173 ? -47.314 -4.804  -18.675 1.00 18.75 ? 179 TYR   B CB  1 
ATOM   1478 C CG  . TYR   A 1 173 ? -47.388 -5.622  -19.935 1.00 20.39 ? 179 TYR   B CG  1 
ATOM   1479 C CD1 . TYR   A 1 173 ? -48.344 -5.361  -20.901 1.00 24.60 ? 179 TYR   B CD1 1 
ATOM   1480 C CD2 . TYR   A 1 173 ? -46.554 -6.708  -20.101 1.00 24.24 ? 179 TYR   B CD2 1 
ATOM   1481 C CE1 . TYR   A 1 173 ? -48.390 -6.093  -22.081 1.00 25.33 ? 179 TYR   B CE1 1 
ATOM   1482 C CE2 . TYR   A 1 173 ? -46.607 -7.470  -21.257 1.00 25.12 ? 179 TYR   B CE2 1 
ATOM   1483 C CZ  . TYR   A 1 173 ? -47.532 -7.166  -22.237 1.00 25.91 ? 179 TYR   B CZ  1 
ATOM   1484 O OH  . TYR   A 1 173 ? -47.586 -7.970  -23.346 1.00 31.91 ? 179 TYR   B OH  1 
ATOM   1485 N N   . SER   A 1 174 ? -45.908 -2.567  -16.685 1.00 16.93 ? 180 SER   B N   1 
ATOM   1486 C CA  . SER   A 1 174 ? -46.019 -2.021  -15.300 1.00 18.55 ? 180 SER   B CA  1 
ATOM   1487 C C   . SER   A 1 174 ? -45.754 -0.522  -15.338 1.00 19.19 ? 180 SER   B C   1 
ATOM   1488 O O   . SER   A 1 174 ? -45.997 0.112   -14.300 1.00 19.48 ? 180 SER   B O   1 
ATOM   1489 C CB  . SER   A 1 174 ? -45.051 -2.633  -14.319 1.00 18.27 ? 180 SER   B CB  1 
ATOM   1490 O OG  . SER   A 1 174 ? -43.692 -2.432  -14.721 1.00 18.62 ? 180 SER   B OG  1 
ATOM   1491 N N   . GLY   A 1 175 ? -45.084 -0.031  -16.381 1.00 17.48 ? 181 GLY   B N   1 
ATOM   1492 C CA  . GLY   A 1 175 ? -44.562 1.352   -16.371 1.00 17.06 ? 181 GLY   B CA  1 
ATOM   1493 C C   . GLY   A 1 175 ? -43.299 1.492   -15.534 1.00 18.06 ? 181 GLY   B C   1 
ATOM   1494 O O   . GLY   A 1 175 ? -42.819 2.630   -15.409 1.00 21.81 ? 181 GLY   B O   1 
ATOM   1495 N N   . GLY   A 1 176 ? -42.789 0.406   -14.942 1.00 18.36 ? 182 GLY   B N   1 
ATOM   1496 C CA  . GLY   A 1 176 ? -41.553 0.422   -14.145 1.00 17.63 ? 182 GLY   B CA  1 
ATOM   1497 C C   . GLY   A 1 176 ? -40.344 -0.196  -14.841 1.00 17.92 ? 182 GLY   B C   1 
ATOM   1498 O O   . GLY   A 1 176 ? -39.267 -0.249  -14.172 1.00 19.30 ? 182 GLY   B O   1 
ATOM   1499 N N   . ASN   A 1 177 ? -40.468 -0.628  -16.099 1.00 15.34 ? 183 ASN   B N   1 
ATOM   1500 C CA  . ASN   A 1 177 ? -39.365 -1.314  -16.794 1.00 15.29 ? 183 ASN   B CA  1 
ATOM   1501 C C   . ASN   A 1 177 ? -38.901 -0.598  -18.075 1.00 15.53 ? 183 ASN   B C   1 
ATOM   1502 O O   . ASN   A 1 177 ? -38.386 -1.272  -18.997 1.00 16.88 ? 183 ASN   B O   1 
ATOM   1503 C CB  . ASN   A 1 177 ? -39.743 -2.769  -17.082 1.00 16.67 ? 183 ASN   B CB  1 
ATOM   1504 C CG  . ASN   A 1 177 ? -38.523 -3.604  -17.419 1.00 16.74 ? 183 ASN   B CG  1 
ATOM   1505 O OD1 . ASN   A 1 177 ? -37.491 -3.452  -16.770 1.00 16.30 ? 183 ASN   B OD1 1 
ATOM   1506 N ND2 . ASN   A 1 177 ? -38.667 -4.514  -18.382 1.00 15.52 ? 183 ASN   B ND2 1 
ATOM   1507 N N   . ALA   A 1 178 ? -38.976 0.729   -18.139 1.00 17.05 ? 184 ALA   B N   1 
ATOM   1508 C CA  . ALA   A 1 178 ? -38.613 1.457   -19.369 1.00 17.79 ? 184 ALA   B CA  1 
ATOM   1509 C C   . ALA   A 1 178 ? -37.094 1.558   -19.517 1.00 18.00 ? 184 ALA   B C   1 
ATOM   1510 O O   . ALA   A 1 178 ? -36.674 1.881   -20.661 1.00 19.09 ? 184 ALA   B O   1 
ATOM   1511 C CB  . ALA   A 1 178 ? -39.226 2.853   -19.364 1.00 19.47 ? 184 ALA   B CB  1 
ATOM   1512 N N   . ALA   A 1 179 ? -36.343 1.434   -18.425 1.00 17.44 ? 185 ALA   B N   1 
ATOM   1513 C CA  . ALA   A 1 179 ? -34.886 1.727   -18.461 1.00 17.59 ? 185 ALA   B CA  1 
ATOM   1514 C C   . ALA   A 1 179 ? -34.191 0.874   -19.529 1.00 18.60 ? 185 ALA   B C   1 
ATOM   1515 O O   . ALA   A 1 179 ? -34.552 -0.286  -19.752 1.00 17.43 ? 185 ALA   B O   1 
ATOM   1516 C CB  . ALA   A 1 179 ? -34.251 1.575   -17.112 1.00 18.36 ? 185 ALA   B CB  1 
ATOM   1517 N N   . PRO   A 1 180 ? -33.092 1.386   -20.141 1.00 17.63 ? 186 PRO   B N   1 
ATOM   1518 C CA  . PRO   A 1 180 ? -32.341 0.647   -21.160 1.00 18.47 ? 186 PRO   B CA  1 
ATOM   1519 C C   . PRO   A 1 180 ? -31.434 -0.471  -20.595 1.00 17.74 ? 186 PRO   B C   1 
ATOM   1520 O O   . PRO   A 1 180 ? -31.121 -0.434  -19.414 1.00 16.62 ? 186 PRO   B O   1 
ATOM   1521 C CB  . PRO   A 1 180 ? -31.428 1.729   -21.772 1.00 19.97 ? 186 PRO   B CB  1 
ATOM   1522 C CG  . PRO   A 1 180 ? -31.218 2.741   -20.670 1.00 19.97 ? 186 PRO   B CG  1 
ATOM   1523 C CD  . PRO   A 1 180 ? -32.546 2.741   -19.917 1.00 19.76 ? 186 PRO   B CD  1 
ATOM   1524 N N   . LEU   A 1 181 ? -31.041 -1.448  -21.426 1.00 15.99 ? 187 LEU   B N   1 
ATOM   1525 C CA  . LEU   A 1 181 ? -29.801 -2.233  -21.236 1.00 16.35 ? 187 LEU   B CA  1 
ATOM   1526 C C   . LEU   A 1 181 ? -28.658 -1.419  -21.847 1.00 16.81 ? 187 LEU   B C   1 
ATOM   1527 O O   . LEU   A 1 181 ? -28.835 -0.908  -22.987 1.00 18.02 ? 187 LEU   B O   1 
ATOM   1528 C CB  . LEU   A 1 181 ? -29.964 -3.606  -21.898 1.00 17.89 ? 187 LEU   B CB  1 
ATOM   1529 C CG  . LEU   A 1 181 ? -31.005 -4.544  -21.284 1.00 17.34 ? 187 LEU   B CG  1 
ATOM   1530 C CD1 . LEU   A 1 181 ? -31.153 -5.847  -22.069 1.00 18.32 ? 187 LEU   B CD1 1 
ATOM   1531 C CD2 . LEU   A 1 181 ? -30.611 -4.889  -19.851 1.00 18.07 ? 187 LEU   B CD2 1 
ATOM   1532 N N   . LYS   A 1 182 ? -27.510 -1.336  -21.192 1.00 17.39 ? 188 LYS   B N   1 
ATOM   1533 C CA  . LYS   A 1 182 ? -26.354 -0.601  -21.776 1.00 19.38 ? 188 LYS   B CA  1 
ATOM   1534 C C   . LYS   A 1 182 ? -25.125 -1.474  -21.725 1.00 19.43 ? 188 LYS   B C   1 
ATOM   1535 O O   . LYS   A 1 182 ? -24.824 -2.002  -20.644 1.00 18.84 ? 188 LYS   B O   1 
ATOM   1536 C CB  . LYS   A 1 182 ? -26.046 0.687   -21.005 1.00 20.80 ? 188 LYS   B CB  1 
ATOM   1537 C CG  . LYS   A 1 182 ? -27.234 1.598   -20.775 1.00 23.76 ? 188 LYS   B CG  1 
ATOM   1538 C CD  . LYS   A 1 182 ? -26.808 2.931   -20.179 1.00 28.47 ? 188 LYS   B CD  1 
ATOM   1539 C CE  . LYS   A 1 182 ? -27.959 3.686   -19.564 1.00 34.47 ? 188 LYS   B CE  1 
ATOM   1540 N NZ  . LYS   A 1 182 ? -27.476 4.887   -18.843 1.00 36.58 ? 188 LYS   B NZ  1 
ATOM   1541 N N   . LEU   A 1 183 ? -24.400 -1.547  -22.821 1.00 18.89 ? 189 LEU   B N   1 
ATOM   1542 C CA  . LEU   A 1 183 ? -23.054 -2.178  -22.811 1.00 19.69 ? 189 LEU   B CA  1 
ATOM   1543 C C   . LEU   A 1 183 ? -22.063 -1.224  -22.151 1.00 21.28 ? 189 LEU   B C   1 
ATOM   1544 O O   . LEU   A 1 183 ? -21.902 -0.084  -22.624 1.00 24.25 ? 189 LEU   B O   1 
ATOM   1545 C CB  . LEU   A 1 183 ? -22.692 -2.584  -24.235 1.00 19.27 ? 189 LEU   B CB  1 
ATOM   1546 C CG  . LEU   A 1 183 ? -23.451 -3.828  -24.672 1.00 20.72 ? 189 LEU   B CG  1 
ATOM   1547 C CD1 . LEU   A 1 183 ? -23.658 -3.914  -26.167 1.00 23.83 ? 189 LEU   B CD1 1 
ATOM   1548 C CD2 . LEU   A 1 183 ? -22.784 -5.082  -24.138 1.00 19.25 ? 189 LEU   B CD2 1 
ATOM   1549 N N   . CYS   A 1 184 ? -21.438 -1.676  -21.060 1.00 23.46 ? 190 CYS   B N   1 
ATOM   1550 C CA  . CYS   A 1 184 ? -20.529 -0.855  -20.208 1.00 24.97 ? 190 CYS   B CA  1 
ATOM   1551 C C   . CYS   A 1 184 ? -19.160 -0.750  -20.845 1.00 27.28 ? 190 CYS   B C   1 
ATOM   1552 O O   . CYS   A 1 184 ? -18.669 -1.709  -21.400 1.00 25.66 ? 190 CYS   B O   1 
ATOM   1553 C CB  . CYS   A 1 184 ? -20.224 -1.492  -18.865 1.00 27.95 ? 190 CYS   B CB  1 
ATOM   1554 S SG  . CYS   A 1 184 ? -21.676 -2.012  -17.951 1.00 28.73 ? 190 CYS   B SG  1 
ATOM   1555 N N   . PRO   A 1 185 ? -18.488 0.408   -20.723 1.00 33.05 ? 191 PRO   B N   1 
ATOM   1556 C CA  . PRO   A 1 185 ? -17.160 0.574   -21.291 1.00 37.02 ? 191 PRO   B CA  1 
ATOM   1557 C C   . PRO   A 1 185 ? -16.159 -0.357  -20.599 1.00 36.64 ? 191 PRO   B C   1 
ATOM   1558 O O   . PRO   A 1 185 ? -16.345 -0.659  -19.423 1.00 39.20 ? 191 PRO   B O   1 
ATOM   1559 C CB  . PRO   A 1 185 ? -16.873 2.070   -21.057 1.00 36.74 ? 191 PRO   B CB  1 
ATOM   1560 C CG  . PRO   A 1 185 ? -17.728 2.444   -19.871 1.00 36.86 ? 191 PRO   B CG  1 
ATOM   1561 C CD  . PRO   A 1 185 ? -18.980 1.620   -20.040 1.00 36.24 ? 191 PRO   B CD  1 
ATOM   1562 N N   . LEU   A 1 186 ? -15.177 -0.800  -21.386 1.00 42.83 ? 192 LEU   B N   1 
ATOM   1563 C CA  . LEU   A 1 186 ? -13.942 -1.534  -21.004 1.00 46.73 ? 192 LEU   B CA  1 
ATOM   1564 C C   . LEU   A 1 186 ? -13.019 -0.600  -20.217 1.00 51.76 ? 192 LEU   B C   1 
ATOM   1565 O O   . LEU   A 1 186 ? -12.315 -1.108  -19.345 1.00 58.26 ? 192 LEU   B O   1 
ATOM   1566 C CB  . LEU   A 1 186 ? -13.255 -2.011  -22.289 1.00 46.38 ? 192 LEU   B CB  1 
HETATM 1567 N N1  . A1BFG B 2 .   ? -44.395 -6.733  -29.465 0.81 53.48 ? 201 A1BFG B N1  1 
HETATM 1568 N N3  . A1BFG B 2 .   ? -46.576 -6.280  -28.860 0.81 47.76 ? 201 A1BFG B N3  1 
HETATM 1569 C C4  . A1BFG B 2 .   ? -44.793 -5.181  -27.665 0.81 49.35 ? 201 A1BFG B C4  1 
HETATM 1570 C C5  . A1BFG B 2 .   ? -45.709 -4.527  -26.855 0.81 49.21 ? 201 A1BFG B C5  1 
HETATM 1571 C C6  . A1BFG B 2 .   ? -45.215 -3.579  -25.788 0.81 48.43 ? 201 A1BFG B C6  1 
HETATM 1572 C C7  . A1BFG B 2 .   ? -45.562 -3.162  -23.410 0.81 41.15 ? 201 A1BFG B C7  1 
HETATM 1573 C C8  . A1BFG B 2 .   ? -46.504 -2.457  -22.490 0.81 43.66 ? 201 A1BFG B C8  1 
HETATM 1574 C C10 . A1BFG B 2 .   ? -47.436 -5.628  -28.070 0.81 47.98 ? 201 A1BFG B C10 1 
HETATM 1575 C C1  . A1BFG B 2 .   ? -43.488 -6.039  -30.361 0.81 50.96 ? 201 A1BFG B C1  1 
HETATM 1576 C C2  . A1BFG B 2 .   ? -44.336 -8.185  -29.464 0.81 51.77 ? 201 A1BFG B C2  1 
HETATM 1577 C C3  . A1BFG B 2 .   ? -45.255 -6.060  -28.664 0.81 48.08 ? 201 A1BFG B C3  1 
HETATM 1578 C C9  . A1BFG B 2 .   ? -47.056 -4.758  -27.071 0.81 49.99 ? 201 A1BFG B C9  1 
HETATM 1579 N N2  . A1BFG B 2 .   ? -46.060 -3.476  -24.608 0.81 46.05 ? 201 A1BFG B N2  1 
HETATM 1580 O O1  . A1BFG B 2 .   ? -44.397 -3.395  -23.085 0.81 33.85 ? 201 A1BFG B O1  1 
HETATM 1581 C C1  . EDO   C 3 .   ? -50.409 -17.061 -33.202 1.00 48.59 ? 202 EDO   B C1  1 
HETATM 1582 O O1  . EDO   C 3 .   ? -49.115 -16.551 -33.030 1.00 43.02 ? 202 EDO   B O1  1 
HETATM 1583 C C2  . EDO   C 3 .   ? -51.092 -17.199 -31.917 1.00 44.87 ? 202 EDO   B C2  1 
HETATM 1584 O O2  . EDO   C 3 .   ? -51.381 -15.928 -31.405 1.00 51.61 ? 202 EDO   B O2  1 
HETATM 1585 S S   . SO4   D 4 .   ? -40.474 -24.573 -26.321 1.00 47.45 ? 203 SO4   B S   1 
HETATM 1586 O O1  . SO4   D 4 .   ? -39.802 -23.621 -27.168 1.00 31.72 ? 203 SO4   B O1  1 
HETATM 1587 O O2  . SO4   D 4 .   ? -41.307 -25.417 -27.117 1.00 48.74 ? 203 SO4   B O2  1 
HETATM 1588 O O3  . SO4   D 4 .   ? -39.491 -25.390 -25.645 1.00 51.01 ? 203 SO4   B O3  1 
HETATM 1589 O O4  . SO4   D 4 .   ? -41.276 -23.892 -25.338 1.00 48.37 ? 203 SO4   B O4  1 
HETATM 1590 O O   . HOH   E 5 .   ? -37.305 -19.082 -8.623  1.00 34.28 ? 301 HOH   B O   1 
HETATM 1591 O O   . HOH   E 5 .   ? -13.476 -23.571 -31.554 1.00 20.52 ? 302 HOH   B O   1 
HETATM 1592 O O   . HOH   E 5 .   ? -33.832 4.858   -16.804 1.00 49.55 ? 303 HOH   B O   1 
HETATM 1593 O O   . HOH   E 5 .   ? -27.016 -28.540 -27.933 1.00 32.85 ? 304 HOH   B O   1 
HETATM 1594 O O   . HOH   E 5 .   ? -22.735 -1.826  -9.791  1.00 33.91 ? 305 HOH   B O   1 
HETATM 1595 O O   . HOH   E 5 .   ? -45.898 3.739   -34.193 1.00 29.35 ? 306 HOH   B O   1 
HETATM 1596 O O   . HOH   E 5 .   ? -40.072 -1.154  -9.907  1.00 35.65 ? 307 HOH   B O   1 
HETATM 1597 O O   . HOH   E 5 .   ? -29.595 -12.504 -37.804 1.00 26.35 ? 308 HOH   B O   1 
HETATM 1598 O O   . HOH   E 5 .   ? -45.162 7.456   -24.606 1.00 43.43 ? 309 HOH   B O   1 
HETATM 1599 O O   . HOH   E 5 .   ? -47.164 -16.992 -31.609 1.00 26.36 ? 310 HOH   B O   1 
HETATM 1600 O O   . HOH   E 5 .   ? -8.954  -13.466 -25.053 1.00 42.20 ? 311 HOH   B O   1 
HETATM 1601 O O   . HOH   E 5 .   ? -38.634 -15.319 -11.617 1.00 37.35 ? 312 HOH   B O   1 
HETATM 1602 O O   . HOH   E 5 .   ? -36.269 5.427   -15.773 1.00 31.54 ? 313 HOH   B O   1 
HETATM 1603 O O   . HOH   E 5 .   ? -38.098 2.797   -22.791 1.00 23.92 ? 314 HOH   B O   1 
HETATM 1604 O O   . HOH   E 5 .   ? -38.453 0.615   -11.948 1.00 40.56 ? 315 HOH   B O   1 
HETATM 1605 O O   . HOH   E 5 .   ? -41.408 -7.842  -3.479  1.00 52.67 ? 316 HOH   B O   1 
HETATM 1606 O O   . HOH   E 5 .   ? -15.606 -5.281  -13.736 1.00 36.39 ? 317 HOH   B O   1 
HETATM 1607 O O   . HOH   E 5 .   ? -45.368 0.084   -11.814 1.00 32.80 ? 318 HOH   B O   1 
HETATM 1608 O O   . HOH   E 5 .   ? -32.964 1.099   -33.519 1.00 25.10 ? 319 HOH   B O   1 
HETATM 1609 O O   . HOH   E 5 .   ? -36.796 -16.273 -39.467 1.00 31.10 ? 320 HOH   B O   1 
HETATM 1610 O O   . HOH   E 5 .   ? -36.647 -22.991 -30.891 1.00 44.34 ? 321 HOH   B O   1 
HETATM 1611 O O   . HOH   E 5 .   ? -11.119 -21.092 -25.187 1.00 36.57 ? 322 HOH   B O   1 
HETATM 1612 O O   . HOH   E 5 .   ? -32.804 -18.221 -37.210 1.00 40.61 ? 323 HOH   B O   1 
HETATM 1613 O O   . HOH   E 5 .   ? -19.388 -29.805 -15.722 1.00 31.51 ? 324 HOH   B O   1 
HETATM 1614 O O   . HOH   E 5 .   ? -17.665 -21.331 -12.445 1.00 23.02 ? 325 HOH   B O   1 
HETATM 1615 O O   . HOH   E 5 .   ? -35.963 -22.481 -19.590 1.00 29.21 ? 326 HOH   B O   1 
HETATM 1616 O O   . HOH   E 5 .   ? -30.863 -6.682  -11.259 1.00 20.02 ? 327 HOH   B O   1 
HETATM 1617 O O   . HOH   E 5 .   ? -35.480 -17.116 -8.103  1.00 50.46 ? 328 HOH   B O   1 
HETATM 1618 O O   . HOH   E 5 .   ? -40.717 -14.409 -8.425  1.00 34.76 ? 329 HOH   B O   1 
HETATM 1619 O O   . HOH   E 5 .   ? -30.769 1.188   -16.995 1.00 30.73 ? 330 HOH   B O   1 
HETATM 1620 O O   . HOH   E 5 .   ? -26.182 3.413   -35.309 1.00 39.57 ? 331 HOH   B O   1 
HETATM 1621 O O   . HOH   E 5 .   ? -18.697 -21.959 -35.857 1.00 21.30 ? 332 HOH   B O   1 
HETATM 1622 O O   . HOH   E 5 .   ? -32.277 4.738   -33.037 1.00 28.91 ? 333 HOH   B O   1 
HETATM 1623 O O   . HOH   E 5 .   ? -47.222 1.385   -25.555 1.00 30.14 ? 334 HOH   B O   1 
HETATM 1624 O O   . HOH   E 5 .   ? -35.916 -19.193 -30.443 1.00 39.27 ? 335 HOH   B O   1 
HETATM 1625 O O   . HOH   E 5 .   ? -21.003 -5.992  -2.218  1.00 52.73 ? 336 HOH   B O   1 
HETATM 1626 O O   . HOH   E 5 .   ? -19.889 1.831   -30.719 1.00 35.33 ? 337 HOH   B O   1 
HETATM 1627 O O   . HOH   E 5 .   ? -23.269 4.389   -24.717 1.00 32.44 ? 338 HOH   B O   1 
HETATM 1628 O O   . HOH   E 5 .   ? -36.823 -25.909 -23.817 1.00 43.91 ? 339 HOH   B O   1 
HETATM 1629 O O   . HOH   E 5 .   ? -25.919 -22.633 -35.881 1.00 32.60 ? 340 HOH   B O   1 
HETATM 1630 O O   . HOH   E 5 .   ? -16.178 -19.586 -15.678 1.00 29.11 ? 341 HOH   B O   1 
HETATM 1631 O O   . HOH   E 5 .   ? -49.689 -1.606  -19.401 1.00 32.32 ? 342 HOH   B O   1 
HETATM 1632 O O   . HOH   E 5 .   ? -30.827 -20.375 -21.339 1.00 16.59 ? 343 HOH   B O   1 
HETATM 1633 O O   . HOH   E 5 .   ? -12.783 -21.365 -18.707 1.00 36.53 ? 344 HOH   B O   1 
HETATM 1634 O O   . HOH   E 5 .   ? -38.576 -7.654  -10.766 1.00 20.58 ? 345 HOH   B O   1 
HETATM 1635 O O   . HOH   E 5 .   ? -17.511 -27.677 -19.611 1.00 20.46 ? 346 HOH   B O   1 
HETATM 1636 O O   . HOH   E 5 .   ? -26.561 1.937   -11.037 1.00 34.66 ? 347 HOH   B O   1 
HETATM 1637 O O   . HOH   E 5 .   ? -24.557 -30.999 -22.017 1.00 39.03 ? 348 HOH   B O   1 
HETATM 1638 O O   . HOH   E 5 .   ? -36.253 -1.791  -33.792 1.00 23.94 ? 349 HOH   B O   1 
HETATM 1639 O O   . HOH   E 5 .   ? -45.201 -12.424 -26.564 1.00 39.11 ? 350 HOH   B O   1 
HETATM 1640 O O   . HOH   E 5 .   ? -34.174 -21.987 -31.370 1.00 22.66 ? 351 HOH   B O   1 
HETATM 1641 O O   . HOH   E 5 .   ? -19.447 -4.301  -22.040 1.00 22.53 ? 352 HOH   B O   1 
HETATM 1642 O O   . HOH   E 5 .   ? -37.367 -25.458 -11.275 1.00 42.71 ? 353 HOH   B O   1 
HETATM 1643 O O   . HOH   E 5 .   ? -13.601 -20.938 -35.262 1.00 41.33 ? 354 HOH   B O   1 
HETATM 1644 O O   . HOH   E 5 .   ? -38.397 3.764   -42.132 1.00 33.48 ? 355 HOH   B O   1 
HETATM 1645 O O   . HOH   E 5 .   ? -38.808 -2.497  -21.402 1.00 20.05 ? 356 HOH   B O   1 
HETATM 1646 O O   . HOH   E 5 .   ? -26.569 -25.804 -16.386 1.00 22.09 ? 357 HOH   B O   1 
HETATM 1647 O O   . HOH   E 5 .   ? -23.168 2.314   -22.992 1.00 33.74 ? 358 HOH   B O   1 
HETATM 1648 O O   . HOH   E 5 .   ? -10.365 -23.514 -21.885 1.00 35.41 ? 359 HOH   B O   1 
HETATM 1649 O O   . HOH   E 5 .   ? -42.166 1.294   -22.753 1.00 39.01 ? 360 HOH   B O   1 
HETATM 1650 O O   . HOH   E 5 .   ? -9.586  -20.755 -28.908 1.00 41.59 ? 361 HOH   B O   1 
HETATM 1651 O O   . HOH   E 5 .   ? -23.977 1.215   -10.828 1.00 39.46 ? 362 HOH   B O   1 
HETATM 1652 O O   . HOH   E 5 .   ? -30.225 -23.982 -33.968 1.00 29.10 ? 363 HOH   B O   1 
HETATM 1653 O O   . HOH   E 5 .   ? -25.666 -14.248 -3.177  1.00 36.13 ? 364 HOH   B O   1 
HETATM 1654 O O   . HOH   E 5 .   ? -35.919 -3.809  -10.013 1.00 49.94 ? 365 HOH   B O   1 
HETATM 1655 O O   . HOH   E 5 .   ? -38.079 -14.405 -21.349 1.00 41.39 ? 366 HOH   B O   1 
HETATM 1656 O O   . HOH   E 5 .   ? -26.769 -17.661 -7.787  1.00 22.10 ? 367 HOH   B O   1 
HETATM 1657 O O   . HOH   E 5 .   ? -28.439 -21.676 -8.904  1.00 23.53 ? 368 HOH   B O   1 
HETATM 1658 O O   . HOH   E 5 .   ? -42.344 -3.912  -39.453 1.00 26.80 ? 369 HOH   B O   1 
HETATM 1659 O O   . HOH   E 5 .   ? -18.501 -4.570  -24.671 1.00 21.75 ? 370 HOH   B O   1 
HETATM 1660 O O   . HOH   E 5 .   ? -20.935 -16.398 -5.552  1.00 22.61 ? 371 HOH   B O   1 
HETATM 1661 O O   . HOH   E 5 .   ? -42.543 -5.811  -12.217 1.00 26.91 ? 372 HOH   B O   1 
HETATM 1662 O O   . HOH   E 5 .   ? -27.175 -20.319 -6.955  1.00 22.86 ? 373 HOH   B O   1 
HETATM 1663 O O   . HOH   E 5 .   ? -16.659 -5.613  -9.327  1.00 37.53 ? 374 HOH   B O   1 
HETATM 1664 O O   . HOH   E 5 .   ? -40.316 -14.361 -31.376 1.00 17.77 ? 375 HOH   B O   1 
HETATM 1665 O O   . HOH   E 5 .   ? -33.530 -1.856  -38.369 1.00 29.92 ? 376 HOH   B O   1 
HETATM 1666 O O   . HOH   E 5 .   ? -24.012 -12.371 -6.546  1.00 23.42 ? 377 HOH   B O   1 
HETATM 1667 O O   . HOH   E 5 .   ? -41.130 -9.397  -36.713 1.00 36.55 ? 378 HOH   B O   1 
HETATM 1668 O O   . HOH   E 5 .   ? -9.574  -18.489 -30.152 1.00 56.37 ? 379 HOH   B O   1 
HETATM 1669 O O   . HOH   E 5 .   ? -18.299 -17.316 -36.335 1.00 31.76 ? 380 HOH   B O   1 
HETATM 1670 O O   . HOH   E 5 .   ? -37.055 0.913   -15.531 1.00 20.82 ? 381 HOH   B O   1 
HETATM 1671 O O   . HOH   E 5 .   ? -33.427 -14.862 -6.995  1.00 26.77 ? 382 HOH   B O   1 
HETATM 1672 O O   . HOH   E 5 .   ? -36.536 -0.965  -22.123 1.00 18.50 ? 383 HOH   B O   1 
HETATM 1673 O O   . HOH   E 5 .   ? -35.574 -4.634  -42.191 1.00 27.88 ? 384 HOH   B O   1 
HETATM 1674 O O   . HOH   E 5 .   ? -25.363 -10.492 -23.607 1.00 17.68 ? 385 HOH   B O   1 
HETATM 1675 O O   . HOH   E 5 .   ? -34.101 -21.859 -36.493 1.00 46.99 ? 386 HOH   B O   1 
HETATM 1676 O O   . HOH   E 5 .   ? -34.837 -9.010  -6.019  1.00 45.15 ? 387 HOH   B O   1 
HETATM 1677 O O   . HOH   E 5 .   ? -15.015 -19.767 -37.598 1.00 28.86 ? 388 HOH   B O   1 
HETATM 1678 O O   . HOH   E 5 .   ? -25.748 -27.033 -23.875 1.00 22.72 ? 389 HOH   B O   1 
HETATM 1679 O O   . HOH   E 5 .   ? -17.924 -4.330  -5.898  1.00 44.95 ? 390 HOH   B O   1 
HETATM 1680 O O   . HOH   E 5 .   ? -45.778 -19.668 -31.611 1.00 33.21 ? 391 HOH   B O   1 
HETATM 1681 O O   . HOH   E 5 .   ? -17.922 -19.848 -37.609 1.00 33.64 ? 392 HOH   B O   1 
HETATM 1682 O O   . HOH   E 5 .   ? -32.334 -5.012  -12.925 1.00 18.18 ? 393 HOH   B O   1 
HETATM 1683 O O   . HOH   E 5 .   ? -41.099 -5.976  -38.044 1.00 37.70 ? 394 HOH   B O   1 
HETATM 1684 O O   . HOH   E 5 .   ? -24.346 -4.045  -36.727 1.00 45.45 ? 395 HOH   B O   1 
HETATM 1685 O O   . HOH   E 5 .   ? -31.561 3.433   -26.830 1.00 29.67 ? 396 HOH   B O   1 
HETATM 1686 O O   . HOH   E 5 .   ? -9.378  -15.959 -26.508 1.00 33.61 ? 397 HOH   B O   1 
HETATM 1687 O O   . HOH   E 5 .   ? -33.199 -17.185 -4.119  1.00 29.72 ? 398 HOH   B O   1 
HETATM 1688 O O   . HOH   E 5 .   ? -45.543 -14.942 -27.465 1.00 46.11 ? 399 HOH   B O   1 
HETATM 1689 O O   . HOH   E 5 .   ? -41.379 -8.504  -13.357 1.00 25.17 ? 400 HOH   B O   1 
HETATM 1690 O O   . HOH   E 5 .   ? -27.824 -27.681 -25.696 1.00 35.73 ? 401 HOH   B O   1 
HETATM 1691 O O   . HOH   E 5 .   ? -24.006 -26.749 -16.023 1.00 26.15 ? 402 HOH   B O   1 
HETATM 1692 O O   . HOH   E 5 .   ? -14.446 -16.616 -33.169 1.00 33.29 ? 403 HOH   B O   1 
HETATM 1693 O O   . HOH   E 5 .   ? -45.964 -4.314  -33.924 1.00 29.53 ? 404 HOH   B O   1 
HETATM 1694 O O   . HOH   E 5 .   ? -24.878 -15.040 -6.816  1.00 22.21 ? 405 HOH   B O   1 
HETATM 1695 O O   . HOH   E 5 .   ? -19.091 -29.179 -23.491 1.00 35.55 ? 406 HOH   B O   1 
HETATM 1696 O O   . HOH   E 5 .   ? -39.985 -11.503 -22.725 1.00 34.74 ? 407 HOH   B O   1 
HETATM 1697 O O   . HOH   E 5 .   ? -41.332 5.371   -28.480 1.00 35.02 ? 408 HOH   B O   1 
HETATM 1698 O O   . HOH   E 5 .   ? -34.273 -7.157  -7.933  1.00 33.94 ? 409 HOH   B O   1 
HETATM 1699 O O   . HOH   E 5 .   ? -39.906 2.711   -16.064 1.00 21.83 ? 410 HOH   B O   1 
HETATM 1700 O O   . HOH   E 5 .   ? -28.742 7.932   -30.027 1.00 37.37 ? 411 HOH   B O   1 
HETATM 1701 O O   . HOH   E 5 .   ? -17.979 -16.060 -6.150  1.00 28.30 ? 412 HOH   B O   1 
HETATM 1702 O O   . HOH   E 5 .   ? -17.895 -11.108 -35.601 1.00 29.95 ? 413 HOH   B O   1 
HETATM 1703 O O   . HOH   E 5 .   ? -13.107 -6.174  -29.154 1.00 37.80 ? 414 HOH   B O   1 
HETATM 1704 O O   . HOH   E 5 .   ? -38.748 3.950   -13.737 1.00 35.98 ? 415 HOH   B O   1 
HETATM 1705 O O   . HOH   E 5 .   ? -43.346 3.723   -18.778 1.00 25.46 ? 416 HOH   B O   1 
HETATM 1706 O O   . HOH   E 5 .   ? -16.043 -14.739 -8.613  1.00 40.49 ? 417 HOH   B O   1 
HETATM 1707 O O   . HOH   E 5 .   ? -42.414 -4.990  -43.755 1.00 26.52 ? 418 HOH   B O   1 
HETATM 1708 O O   . HOH   E 5 .   ? -40.401 -7.429  -34.765 1.00 25.49 ? 419 HOH   B O   1 
HETATM 1709 O O   . HOH   E 5 .   ? -24.785 -11.087 -4.129  1.00 29.42 ? 420 HOH   B O   1 
HETATM 1710 O O   . HOH   E 5 .   ? -16.046 -12.075 -5.446  1.00 54.34 ? 421 HOH   B O   1 
HETATM 1711 O O   . HOH   E 5 .   ? -43.760 -0.577  -24.399 1.00 44.79 ? 422 HOH   B O   1 
HETATM 1712 O O   . HOH   E 5 .   ? -31.149 4.023   -24.300 1.00 29.27 ? 423 HOH   B O   1 
HETATM 1713 O O   . HOH   E 5 .   ? -12.682 -18.523 -34.902 1.00 41.42 ? 424 HOH   B O   1 
HETATM 1714 O O   . HOH   E 5 .   ? -40.935 6.443   -33.071 1.00 36.10 ? 425 HOH   B O   1 
HETATM 1715 O O   . HOH   E 5 .   ? -36.352 -0.024  -41.917 1.00 41.02 ? 426 HOH   B O   1 
HETATM 1716 O O   . HOH   E 5 .   ? -41.139 -8.873  -19.360 1.00 19.28 ? 427 HOH   B O   1 
HETATM 1717 O O   . HOH   E 5 .   ? -52.520 -14.263 -29.035 1.00 48.85 ? 428 HOH   B O   1 
HETATM 1718 O O   . HOH   E 5 .   ? -25.105 7.090   -28.926 1.00 35.76 ? 429 HOH   B O   1 
HETATM 1719 O O   . HOH   E 5 .   ? -19.960 2.359   -23.984 1.00 41.28 ? 430 HOH   B O   1 
HETATM 1720 O O   . HOH   E 5 .   ? -47.752 0.000   -32.629 0.50 28.10 ? 431 HOH   B O   1 
HETATM 1721 O O   . HOH   E 5 .   ? -16.081 -7.490  -11.290 1.00 38.26 ? 432 HOH   B O   1 
HETATM 1722 O O   . HOH   E 5 .   ? -30.747 -17.421 -42.748 1.00 39.28 ? 433 HOH   B O   1 
HETATM 1723 O O   . HOH   E 5 .   ? -36.670 -6.610  -8.897  1.00 34.60 ? 434 HOH   B O   1 
HETATM 1724 O O   . HOH   E 5 .   ? -32.643 -23.594 -33.215 1.00 37.29 ? 435 HOH   B O   1 
HETATM 1725 O O   . HOH   E 5 .   ? -41.704 -15.587 -17.325 1.00 52.36 ? 436 HOH   B O   1 
HETATM 1726 O O   . HOH   E 5 .   ? -21.770 6.893   -32.377 1.00 37.35 ? 437 HOH   B O   1 
HETATM 1727 O O   . HOH   E 5 .   ? -26.151 -28.203 -21.532 1.00 42.38 ? 438 HOH   B O   1 
HETATM 1728 O O   . HOH   E 5 .   ? -8.420  -23.173 -30.309 1.00 37.20 ? 439 HOH   B O   1 
HETATM 1729 O O   . HOH   E 5 .   ? -38.664 -16.286 -40.892 1.00 41.89 ? 440 HOH   B O   1 
HETATM 1730 O O   . HOH   E 5 .   ? -22.708 3.361   -20.635 1.00 45.19 ? 441 HOH   B O   1 
HETATM 1731 O O   . HOH   E 5 .   ? -41.646 -9.683  -43.870 1.00 39.97 ? 442 HOH   B O   1 
HETATM 1732 O O   . HOH   E 5 .   ? -40.285 5.078   -21.972 1.00 36.88 ? 443 HOH   B O   1 
HETATM 1733 O O   . HOH   E 5 .   ? -36.627 2.225   -42.879 1.00 46.45 ? 444 HOH   B O   1 
HETATM 1734 O O   . HOH   E 5 .   ? -16.031 -22.206 -14.648 1.00 37.15 ? 445 HOH   B O   1 
HETATM 1735 O O   . HOH   E 5 .   ? -28.403 -27.829 -16.760 1.00 29.54 ? 446 HOH   B O   1 
HETATM 1736 O O   . HOH   E 5 .   ? -15.864 -26.947 -17.201 1.00 42.98 ? 447 HOH   B O   1 
HETATM 1737 O O   . HOH   E 5 .   ? -26.313 -31.277 -23.962 1.00 32.66 ? 448 HOH   B O   1 
HETATM 1738 O O   . HOH   E 5 .   ? -42.250 -13.073 -22.427 1.00 35.19 ? 449 HOH   B O   1 
# 
