data_7HN3
# 
_entry.id   7HN3 
# 
_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   7HN3         pdb_00007hn3 10.2210/pdb7hn3/pdb 
WWPDB D_1001407681 ?            ?                   
# 
_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                        7HN3 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-04 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.SG_entry                        ? 
_pdbx_database_status.pdb_format_compatible           N 
_pdbx_database_status.methods_development_category    ? 
# 
_pdbx_contact_author.id                 1 
_pdbx_contact_author.email              knapp@pharmchem.uni-frankfurt.de 
_pdbx_contact_author.name_first         Stefan 
_pdbx_contact_author.name_last          Knapp 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-5995-6494 
_pdbx_contact_author.name_mi            ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Kim, Y.'                              1 
'Marples, P.'                          2 
'Fearon, D.'                           3 
'von Delft, F.'                        4 
'Knapp, S.'                            5 
'Kraemer, A.'                          6 
'Structural Genomics Consortium (SGC)' 7 
# 
_citation.id                        primary 
_citation.title                     'PanDDA analysis group deposition' 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_volume            ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.year                      ? 
_citation.journal_id_ASTM           ? 
_citation.country                   ? 
_citation.journal_id_ISSN           ? 
_citation.journal_id_CSD            0353 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_DOI      ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.identifier_ORCID 
_citation_author.ordinal 
primary 'Kim, Y.'                              ? 1 
primary 'Marples, P.'                          ? 2 
primary 'Fearon, D.'                           ? 3 
primary 'von Delft, F.'                        ? 4 
primary 'Knapp, S.'                            ? 5 
primary 'Kraemer, A.'                          ? 6 
primary 'Structural Genomics Consortium (SGC)' ? 7 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'E3 ubiquitin-protein ligase TRIM21'                  21596.361 1   2.3.2.27 ? ? ? 
2 non-polymer syn 1,2-ETHANEDIOL                                        62.068    2   ?        ? ? ? 
3 non-polymer syn '1,3-dimethyl-1H-pyrazolo[3,4-d]pyridazin-7-ol'       164.165   1   ?        ? ? ? 
4 non-polymer syn '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID' 238.305   1   ?        ? ? ? 
5 non-polymer syn 'SULFATE ION'                                         96.063    1   ?        ? ? ? 
6 water       nat water                                                 18.015    145 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;52 kDa Ro protein,52 kDa ribonucleoprotein autoantigen Ro/SS-A,Ro(SS-A),Sjoegren syndrome type A antigen,SS-A,Tripartite motif-containing protein 21
;
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_strand_id                 B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 1,2-ETHANEDIOL                                        EDO   
3 '1,3-dimethyl-1H-pyrazolo[3,4-d]pyridazin-7-ol'       A1BFQ 
4 '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID' EPE   
5 'SULFATE ION'                                         SO4   
6 water                                                 HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   HIS n 
1 3   HIS n 
1 4   HIS n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   MET n 
1 9   VAL n 
1 10  HIS n 
1 11  ILE n 
1 12  THR n 
1 13  LEU n 
1 14  ASP n 
1 15  ARG n 
1 16  ASN n 
1 17  THR n 
1 18  ALA n 
1 19  ASN n 
1 20  SER n 
1 21  TRP n 
1 22  LEU n 
1 23  ILE n 
1 24  ILE n 
1 25  SER n 
1 26  LYS n 
1 27  ASP n 
1 28  ARG n 
1 29  ARG n 
1 30  GLN n 
1 31  VAL n 
1 32  ARG n 
1 33  MET n 
1 34  GLY n 
1 35  ASP n 
1 36  THR n 
1 37  HIS n 
1 38  GLN n 
1 39  ASN n 
1 40  VAL n 
1 41  SER n 
1 42  ASP n 
1 43  ASN n 
1 44  LYS n 
1 45  GLU n 
1 46  ARG n 
1 47  PHE n 
1 48  SER n 
1 49  ASN n 
1 50  TYR n 
1 51  PRO n 
1 52  MET n 
1 53  VAL n 
1 54  LEU n 
1 55  GLY n 
1 56  ALA n 
1 57  GLN n 
1 58  ARG n 
1 59  PHE n 
1 60  SER n 
1 61  SER n 
1 62  GLY n 
1 63  LYS n 
1 64  MET n 
1 65  TYR n 
1 66  TRP n 
1 67  GLU n 
1 68  VAL n 
1 69  ASP n 
1 70  VAL n 
1 71  THR n 
1 72  GLN n 
1 73  LYS n 
1 74  GLU n 
1 75  ALA n 
1 76  TRP n 
1 77  ASP n 
1 78  LEU n 
1 79  GLY n 
1 80  VAL n 
1 81  CYS n 
1 82  ARG n 
1 83  ASP n 
1 84  SER n 
1 85  VAL n 
1 86  GLN n 
1 87  ARG n 
1 88  LYS n 
1 89  GLY n 
1 90  GLN n 
1 91  PHE n 
1 92  SER n 
1 93  LEU n 
1 94  SER n 
1 95  PRO n 
1 96  GLU n 
1 97  ASN n 
1 98  GLY n 
1 99  PHE n 
1 100 TRP n 
1 101 THR n 
1 102 ILE n 
1 103 TRP n 
1 104 LEU n 
1 105 TRP n 
1 106 GLN n 
1 107 ASP n 
1 108 SER n 
1 109 TYR n 
1 110 GLU n 
1 111 ALA n 
1 112 GLY n 
1 113 THR n 
1 114 SER n 
1 115 PRO n 
1 116 GLN n 
1 117 THR n 
1 118 THR n 
1 119 LEU n 
1 120 HIS n 
1 121 ILE n 
1 122 GLN n 
1 123 VAL n 
1 124 PRO n 
1 125 PRO n 
1 126 CYS n 
1 127 GLN n 
1 128 ILE n 
1 129 GLY n 
1 130 ILE n 
1 131 PHE n 
1 132 VAL n 
1 133 ASP n 
1 134 TYR n 
1 135 GLU n 
1 136 ALA n 
1 137 GLY n 
1 138 VAL n 
1 139 VAL n 
1 140 SER n 
1 141 PHE n 
1 142 TYR n 
1 143 ASN n 
1 144 ILE n 
1 145 THR n 
1 146 ASP n 
1 147 HIS n 
1 148 GLY n 
1 149 SER n 
1 150 LEU n 
1 151 ILE n 
1 152 TYR n 
1 153 THR n 
1 154 PHE n 
1 155 SER n 
1 156 GLU n 
1 157 CYS n 
1 158 VAL n 
1 159 PHE n 
1 160 ALA n 
1 161 GLY n 
1 162 PRO n 
1 163 LEU n 
1 164 ARG n 
1 165 PRO n 
1 166 PHE n 
1 167 PHE n 
1 168 ASN n 
1 169 VAL n 
1 170 GLY n 
1 171 PHE n 
1 172 ASN n 
1 173 TYR n 
1 174 SER n 
1 175 GLY n 
1 176 GLY n 
1 177 ASN n 
1 178 ALA n 
1 179 ALA n 
1 180 PRO n 
1 181 LEU n 
1 182 LYS n 
1 183 LEU n 
1 184 CYS n 
1 185 PRO n 
1 186 LEU n 
1 187 LYS n 
1 188 MET n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   188 
_entity_src_gen.gene_src_common_name               'house mouse' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'Trim21, Ro52, Ssa1' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Mus musculus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     10090 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
A1BFQ non-polymer         . '1,3-dimethyl-1H-pyrazolo[3,4-d]pyridazin-7-ol'       ?                 'C7 H8 N4 O'     164.165 
ALA   'L-peptide linking' y ALANINE                                               ?                 'C3 H7 N O2'     89.093  
ARG   'L-peptide linking' y ARGININE                                              ?                 'C6 H15 N4 O2 1' 175.209 
ASN   'L-peptide linking' y ASPARAGINE                                            ?                 'C4 H8 N2 O3'    132.118 
ASP   'L-peptide linking' y 'ASPARTIC ACID'                                       ?                 'C4 H7 N O4'     133.103 
CYS   'L-peptide linking' y CYSTEINE                                              ?                 'C3 H7 N O2 S'   121.158 
EDO   non-polymer         . 1,2-ETHANEDIOL                                        'ETHYLENE GLYCOL' 'C2 H6 O2'       62.068  
EPE   non-polymer         . '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID' HEPES             'C8 H18 N2 O4 S' 238.305 
GLN   'L-peptide linking' y GLUTAMINE                                             ?                 'C5 H10 N2 O3'   146.144 
GLU   'L-peptide linking' y 'GLUTAMIC ACID'                                       ?                 'C5 H9 N O4'     147.129 
GLY   'peptide linking'   y GLYCINE                                               ?                 'C2 H5 N O2'     75.067  
HIS   'L-peptide linking' y HISTIDINE                                             ?                 'C6 H10 N3 O2 1' 156.162 
HOH   non-polymer         . WATER                                                 ?                 'H2 O'           18.015  
ILE   'L-peptide linking' y ISOLEUCINE                                            ?                 'C6 H13 N O2'    131.173 
LEU   'L-peptide linking' y LEUCINE                                               ?                 'C6 H13 N O2'    131.173 
LYS   'L-peptide linking' y LYSINE                                                ?                 'C6 H15 N2 O2 1' 147.195 
MET   'L-peptide linking' y METHIONINE                                            ?                 'C5 H11 N O2 S'  149.211 
PHE   'L-peptide linking' y PHENYLALANINE                                         ?                 'C9 H11 N O2'    165.189 
PRO   'L-peptide linking' y PROLINE                                               ?                 'C5 H9 N O2'     115.130 
SER   'L-peptide linking' y SERINE                                                ?                 'C3 H7 N O3'     105.093 
SO4   non-polymer         . 'SULFATE ION'                                         ?                 'O4 S -2'        96.063  
THR   'L-peptide linking' y THREONINE                                             ?                 'C4 H9 N O3'     119.119 
TRP   'L-peptide linking' y TRYPTOPHAN                                            ?                 'C11 H12 N2 O2'  204.225 
TYR   'L-peptide linking' y TYROSINE                                              ?                 'C9 H11 N O3'    181.189 
VAL   'L-peptide linking' y VALINE                                                ?                 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   MET 1   7   ?   ?   ?   B . n 
A 1 2   HIS 2   8   8   HIS HIS B . n 
A 1 3   HIS 3   9   9   HIS HIS B . n 
A 1 4   HIS 4   10  10  HIS HIS B . n 
A 1 5   HIS 5   11  11  HIS HIS B . n 
A 1 6   HIS 6   12  12  HIS HIS B . n 
A 1 7   HIS 7   13  13  HIS HIS B . n 
A 1 8   MET 8   14  14  MET MET B . n 
A 1 9   VAL 9   15  15  VAL VAL B . n 
A 1 10  HIS 10  16  16  HIS HIS B . n 
A 1 11  ILE 11  17  17  ILE ILE B . n 
A 1 12  THR 12  18  18  THR THR B . n 
A 1 13  LEU 13  19  19  LEU LEU B . n 
A 1 14  ASP 14  20  20  ASP ASP B . n 
A 1 15  ARG 15  21  21  ARG ARG B . n 
A 1 16  ASN 16  22  22  ASN ASN B . n 
A 1 17  THR 17  23  23  THR THR B . n 
A 1 18  ALA 18  24  24  ALA ALA B . n 
A 1 19  ASN 19  25  25  ASN ASN B . n 
A 1 20  SER 20  26  26  SER SER B . n 
A 1 21  TRP 21  27  27  TRP TRP B . n 
A 1 22  LEU 22  28  28  LEU LEU B . n 
A 1 23  ILE 23  29  29  ILE ILE B . n 
A 1 24  ILE 24  30  30  ILE ILE B . n 
A 1 25  SER 25  31  31  SER SER B . n 
A 1 26  LYS 26  32  32  LYS LYS B . n 
A 1 27  ASP 27  33  33  ASP ASP B . n 
A 1 28  ARG 28  34  34  ARG ARG B . n 
A 1 29  ARG 29  35  35  ARG ARG B . n 
A 1 30  GLN 30  36  36  GLN GLN B . n 
A 1 31  VAL 31  37  37  VAL VAL B . n 
A 1 32  ARG 32  38  38  ARG ARG B . n 
A 1 33  MET 33  39  39  MET MET B . n 
A 1 34  GLY 34  40  40  GLY GLY B . n 
A 1 35  ASP 35  41  41  ASP ASP B . n 
A 1 36  THR 36  42  42  THR THR B . n 
A 1 37  HIS 37  43  43  HIS HIS B . n 
A 1 38  GLN 38  44  44  GLN GLN B . n 
A 1 39  ASN 39  45  45  ASN ASN B . n 
A 1 40  VAL 40  46  46  VAL VAL B . n 
A 1 41  SER 41  47  47  SER SER B . n 
A 1 42  ASP 42  48  48  ASP ASP B . n 
A 1 43  ASN 43  49  49  ASN ASN B . n 
A 1 44  LYS 44  50  50  LYS LYS B . n 
A 1 45  GLU 45  51  51  GLU GLU B . n 
A 1 46  ARG 46  52  52  ARG ARG B . n 
A 1 47  PHE 47  53  53  PHE PHE B . n 
A 1 48  SER 48  54  54  SER SER B . n 
A 1 49  ASN 49  55  55  ASN ASN B . n 
A 1 50  TYR 50  56  56  TYR TYR B . n 
A 1 51  PRO 51  57  57  PRO PRO B . n 
A 1 52  MET 52  58  58  MET MET B . n 
A 1 53  VAL 53  59  59  VAL VAL B . n 
A 1 54  LEU 54  60  60  LEU LEU B . n 
A 1 55  GLY 55  61  61  GLY GLY B . n 
A 1 56  ALA 56  62  62  ALA ALA B . n 
A 1 57  GLN 57  63  63  GLN GLN B . n 
A 1 58  ARG 58  64  64  ARG ARG B . n 
A 1 59  PHE 59  65  65  PHE PHE B . n 
A 1 60  SER 60  66  66  SER SER B . n 
A 1 61  SER 61  67  67  SER SER B . n 
A 1 62  GLY 62  68  68  GLY GLY B . n 
A 1 63  LYS 63  69  69  LYS LYS B . n 
A 1 64  MET 64  70  70  MET MET B . n 
A 1 65  TYR 65  71  71  TYR TYR B . n 
A 1 66  TRP 66  72  72  TRP TRP B . n 
A 1 67  GLU 67  73  73  GLU GLU B . n 
A 1 68  VAL 68  74  74  VAL VAL B . n 
A 1 69  ASP 69  75  75  ASP ASP B . n 
A 1 70  VAL 70  76  76  VAL VAL B . n 
A 1 71  THR 71  77  77  THR THR B . n 
A 1 72  GLN 72  78  78  GLN GLN B . n 
A 1 73  LYS 73  79  79  LYS LYS B . n 
A 1 74  GLU 74  80  80  GLU GLU B . n 
A 1 75  ALA 75  81  81  ALA ALA B . n 
A 1 76  TRP 76  82  82  TRP TRP B . n 
A 1 77  ASP 77  83  83  ASP ASP B . n 
A 1 78  LEU 78  84  84  LEU LEU B . n 
A 1 79  GLY 79  85  85  GLY GLY B . n 
A 1 80  VAL 80  86  86  VAL VAL B . n 
A 1 81  CYS 81  87  87  CYS CYS B . n 
A 1 82  ARG 82  88  88  ARG ARG B . n 
A 1 83  ASP 83  89  89  ASP ASP B . n 
A 1 84  SER 84  90  90  SER SER B . n 
A 1 85  VAL 85  91  91  VAL VAL B . n 
A 1 86  GLN 86  92  92  GLN GLN B . n 
A 1 87  ARG 87  93  93  ARG ARG B . n 
A 1 88  LYS 88  94  94  LYS LYS B . n 
A 1 89  GLY 89  95  95  GLY GLY B . n 
A 1 90  GLN 90  96  96  GLN GLN B . n 
A 1 91  PHE 91  97  97  PHE PHE B . n 
A 1 92  SER 92  98  98  SER SER B . n 
A 1 93  LEU 93  99  99  LEU LEU B . n 
A 1 94  SER 94  100 100 SER SER B . n 
A 1 95  PRO 95  101 101 PRO PRO B . n 
A 1 96  GLU 96  102 102 GLU GLU B . n 
A 1 97  ASN 97  103 103 ASN ASN B . n 
A 1 98  GLY 98  104 104 GLY GLY B . n 
A 1 99  PHE 99  105 105 PHE PHE B . n 
A 1 100 TRP 100 106 106 TRP TRP B . n 
A 1 101 THR 101 107 107 THR THR B . n 
A 1 102 ILE 102 108 108 ILE ILE B . n 
A 1 103 TRP 103 109 109 TRP TRP B . n 
A 1 104 LEU 104 110 110 LEU LEU B . n 
A 1 105 TRP 105 111 111 TRP TRP B . n 
A 1 106 GLN 106 112 112 GLN GLN B . n 
A 1 107 ASP 107 113 113 ASP ASP B . n 
A 1 108 SER 108 114 114 SER SER B . n 
A 1 109 TYR 109 115 115 TYR TYR B . n 
A 1 110 GLU 110 116 116 GLU GLU B . n 
A 1 111 ALA 111 117 117 ALA ALA B . n 
A 1 112 GLY 112 118 118 GLY GLY B . n 
A 1 113 THR 113 119 119 THR THR B . n 
A 1 114 SER 114 120 120 SER SER B . n 
A 1 115 PRO 115 121 121 PRO PRO B . n 
A 1 116 GLN 116 122 122 GLN GLN B . n 
A 1 117 THR 117 123 123 THR THR B . n 
A 1 118 THR 118 124 124 THR THR B . n 
A 1 119 LEU 119 125 125 LEU LEU B . n 
A 1 120 HIS 120 126 126 HIS HIS B . n 
A 1 121 ILE 121 127 127 ILE ILE B . n 
A 1 122 GLN 122 128 128 GLN GLN B . n 
A 1 123 VAL 123 129 129 VAL VAL B . n 
A 1 124 PRO 124 130 130 PRO PRO B . n 
A 1 125 PRO 125 131 131 PRO PRO B . n 
A 1 126 CYS 126 132 132 CYS CYS B . n 
A 1 127 GLN 127 133 133 GLN GLN B . n 
A 1 128 ILE 128 134 134 ILE ILE B . n 
A 1 129 GLY 129 135 135 GLY GLY B . n 
A 1 130 ILE 130 136 136 ILE ILE B . n 
A 1 131 PHE 131 137 137 PHE PHE B . n 
A 1 132 VAL 132 138 138 VAL VAL B . n 
A 1 133 ASP 133 139 139 ASP ASP B . n 
A 1 134 TYR 134 140 140 TYR TYR B . n 
A 1 135 GLU 135 141 141 GLU GLU B . n 
A 1 136 ALA 136 142 142 ALA ALA B . n 
A 1 137 GLY 137 143 143 GLY GLY B . n 
A 1 138 VAL 138 144 144 VAL VAL B . n 
A 1 139 VAL 139 145 145 VAL VAL B . n 
A 1 140 SER 140 146 146 SER SER B . n 
A 1 141 PHE 141 147 147 PHE PHE B . n 
A 1 142 TYR 142 148 148 TYR TYR B . n 
A 1 143 ASN 143 149 149 ASN ASN B . n 
A 1 144 ILE 144 150 150 ILE ILE B . n 
A 1 145 THR 145 151 151 THR THR B . n 
A 1 146 ASP 146 152 152 ASP ASP B . n 
A 1 147 HIS 147 153 153 HIS HIS B . n 
A 1 148 GLY 148 154 154 GLY GLY B . n 
A 1 149 SER 149 155 155 SER SER B . n 
A 1 150 LEU 150 156 156 LEU LEU B . n 
A 1 151 ILE 151 157 157 ILE ILE B . n 
A 1 152 TYR 152 158 158 TYR TYR B . n 
A 1 153 THR 153 159 159 THR THR B . n 
A 1 154 PHE 154 160 160 PHE PHE B . n 
A 1 155 SER 155 161 161 SER SER B . n 
A 1 156 GLU 156 162 162 GLU GLU B . n 
A 1 157 CYS 157 163 163 CYS CYS B . n 
A 1 158 VAL 158 164 164 VAL VAL B . n 
A 1 159 PHE 159 165 165 PHE PHE B . n 
A 1 160 ALA 160 166 166 ALA ALA B . n 
A 1 161 GLY 161 167 167 GLY GLY B . n 
A 1 162 PRO 162 168 168 PRO PRO B . n 
A 1 163 LEU 163 169 169 LEU LEU B . n 
A 1 164 ARG 164 170 170 ARG ARG B . n 
A 1 165 PRO 165 171 171 PRO PRO B . n 
A 1 166 PHE 166 172 172 PHE PHE B . n 
A 1 167 PHE 167 173 173 PHE PHE B . n 
A 1 168 ASN 168 174 174 ASN ASN B . n 
A 1 169 VAL 169 175 175 VAL VAL B . n 
A 1 170 GLY 170 176 176 GLY GLY B . n 
A 1 171 PHE 171 177 177 PHE PHE B . n 
A 1 172 ASN 172 178 178 ASN ASN B . n 
A 1 173 TYR 173 179 179 TYR TYR B . n 
A 1 174 SER 174 180 180 SER SER B . n 
A 1 175 GLY 175 181 181 GLY GLY B . n 
A 1 176 GLY 176 182 182 GLY GLY B . n 
A 1 177 ASN 177 183 183 ASN ASN B . n 
A 1 178 ALA 178 184 184 ALA ALA B . n 
A 1 179 ALA 179 185 185 ALA ALA B . n 
A 1 180 PRO 180 186 186 PRO PRO B . n 
A 1 181 LEU 181 187 187 LEU LEU B . n 
A 1 182 LYS 182 188 188 LYS LYS B . n 
A 1 183 LEU 183 189 189 LEU LEU B . n 
A 1 184 CYS 184 190 190 CYS CYS B . n 
A 1 185 PRO 185 191 191 PRO PRO B . n 
A 1 186 LEU 186 192 192 LEU LEU B . n 
A 1 187 LYS 187 193 ?   ?   ?   B . n 
A 1 188 MET 188 194 ?   ?   ?   B . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1BFQ 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1BFQ 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 EDO   1   201 202 EDO   EDO B . 
C 3 A1BFQ 1   202 302 A1BFQ LIG B . 
D 4 EPE   1   203 303 EPE   EPE B . 
E 2 EDO   1   204 305 EDO   EDO B . 
F 5 SO4   1   205 1   SO4   SO4 B . 
G 6 HOH   1   301 29  HOH   HOH B . 
G 6 HOH   2   302 11  HOH   HOH B . 
G 6 HOH   3   303 12  HOH   HOH B . 
G 6 HOH   4   304 4   HOH   HOH B . 
G 6 HOH   5   305 2   HOH   HOH B . 
G 6 HOH   6   306 26  HOH   HOH B . 
G 6 HOH   7   307 63  HOH   HOH B . 
G 6 HOH   8   308 1   HOH   HOH B . 
G 6 HOH   9   309 21  HOH   HOH B . 
G 6 HOH   10  310 40  HOH   HOH B . 
G 6 HOH   11  311 33  HOH   HOH B . 
G 6 HOH   12  312 27  HOH   HOH B . 
G 6 HOH   13  313 16  HOH   HOH B . 
G 6 HOH   14  314 9   HOH   HOH B . 
G 6 HOH   15  315 99  HOH   HOH B . 
G 6 HOH   16  316 90  HOH   HOH B . 
G 6 HOH   17  317 95  HOH   HOH B . 
G 6 HOH   18  318 129 HOH   HOH B . 
G 6 HOH   19  319 5   HOH   HOH B . 
G 6 HOH   20  320 120 HOH   HOH B . 
G 6 HOH   21  321 34  HOH   HOH B . 
G 6 HOH   22  322 102 HOH   HOH B . 
G 6 HOH   23  323 51  HOH   HOH B . 
G 6 HOH   24  324 31  HOH   HOH B . 
G 6 HOH   25  325 264 HOH   HOH B . 
G 6 HOH   26  326 25  HOH   HOH B . 
G 6 HOH   27  327 11  HOH   HOH B . 
G 6 HOH   28  328 10  HOH   HOH B . 
G 6 HOH   29  329 39  HOH   HOH B . 
G 6 HOH   30  330 68  HOH   HOH B . 
G 6 HOH   31  331 36  HOH   HOH B . 
G 6 HOH   32  332 70  HOH   HOH B . 
G 6 HOH   33  333 18  HOH   HOH B . 
G 6 HOH   34  334 100 HOH   HOH B . 
G 6 HOH   35  335 2   HOH   HOH B . 
G 6 HOH   36  336 22  HOH   HOH B . 
G 6 HOH   37  337 58  HOH   HOH B . 
G 6 HOH   38  338 16  HOH   HOH B . 
G 6 HOH   39  339 20  HOH   HOH B . 
G 6 HOH   40  340 26  HOH   HOH B . 
G 6 HOH   41  341 55  HOH   HOH B . 
G 6 HOH   42  342 62  HOH   HOH B . 
G 6 HOH   43  343 81  HOH   HOH B . 
G 6 HOH   44  344 27  HOH   HOH B . 
G 6 HOH   45  345 7   HOH   HOH B . 
G 6 HOH   46  346 66  HOH   HOH B . 
G 6 HOH   47  347 80  HOH   HOH B . 
G 6 HOH   48  348 29  HOH   HOH B . 
G 6 HOH   49  349 214 HOH   HOH B . 
G 6 HOH   50  350 86  HOH   HOH B . 
G 6 HOH   51  351 211 HOH   HOH B . 
G 6 HOH   52  352 126 HOH   HOH B . 
G 6 HOH   53  353 116 HOH   HOH B . 
G 6 HOH   54  354 43  HOH   HOH B . 
G 6 HOH   55  355 19  HOH   HOH B . 
G 6 HOH   56  356 157 HOH   HOH B . 
G 6 HOH   57  357 50  HOH   HOH B . 
G 6 HOH   58  358 6   HOH   HOH B . 
G 6 HOH   59  359 93  HOH   HOH B . 
G 6 HOH   60  360 267 HOH   HOH B . 
G 6 HOH   61  361 89  HOH   HOH B . 
G 6 HOH   62  362 10  HOH   HOH B . 
G 6 HOH   63  363 59  HOH   HOH B . 
G 6 HOH   64  364 107 HOH   HOH B . 
G 6 HOH   65  365 4   HOH   HOH B . 
G 6 HOH   66  366 72  HOH   HOH B . 
G 6 HOH   67  367 47  HOH   HOH B . 
G 6 HOH   68  368 15  HOH   HOH B . 
G 6 HOH   69  369 1   HOH   HOH B . 
G 6 HOH   70  370 3   HOH   HOH B . 
G 6 HOH   71  371 76  HOH   HOH B . 
G 6 HOH   72  372 8   HOH   HOH B . 
G 6 HOH   73  373 61  HOH   HOH B . 
G 6 HOH   74  374 71  HOH   HOH B . 
G 6 HOH   75  375 184 HOH   HOH B . 
G 6 HOH   76  376 3   HOH   HOH B . 
G 6 HOH   77  377 304 HOH   HOH B . 
G 6 HOH   78  378 73  HOH   HOH B . 
G 6 HOH   79  379 17  HOH   HOH B . 
G 6 HOH   80  380 85  HOH   HOH B . 
G 6 HOH   81  381 281 HOH   HOH B . 
G 6 HOH   82  382 5   HOH   HOH B . 
G 6 HOH   83  383 32  HOH   HOH B . 
G 6 HOH   84  384 60  HOH   HOH B . 
G 6 HOH   85  385 25  HOH   HOH B . 
G 6 HOH   86  386 32  HOH   HOH B . 
G 6 HOH   87  387 33  HOH   HOH B . 
G 6 HOH   88  388 24  HOH   HOH B . 
G 6 HOH   89  389 303 HOH   HOH B . 
G 6 HOH   90  390 48  HOH   HOH B . 
G 6 HOH   91  391 172 HOH   HOH B . 
G 6 HOH   92  392 46  HOH   HOH B . 
G 6 HOH   93  393 8   HOH   HOH B . 
G 6 HOH   94  394 97  HOH   HOH B . 
G 6 HOH   95  395 137 HOH   HOH B . 
G 6 HOH   96  396 14  HOH   HOH B . 
G 6 HOH   97  397 12  HOH   HOH B . 
G 6 HOH   98  398 13  HOH   HOH B . 
G 6 HOH   99  399 30  HOH   HOH B . 
G 6 HOH   100 400 23  HOH   HOH B . 
G 6 HOH   101 401 64  HOH   HOH B . 
G 6 HOH   102 402 125 HOH   HOH B . 
G 6 HOH   103 403 154 HOH   HOH B . 
G 6 HOH   104 404 42  HOH   HOH B . 
G 6 HOH   105 405 49  HOH   HOH B . 
G 6 HOH   106 406 56  HOH   HOH B . 
G 6 HOH   107 407 18  HOH   HOH B . 
G 6 HOH   108 408 57  HOH   HOH B . 
G 6 HOH   109 409 7   HOH   HOH B . 
G 6 HOH   110 410 69  HOH   HOH B . 
G 6 HOH   111 411 15  HOH   HOH B . 
G 6 HOH   112 412 20  HOH   HOH B . 
G 6 HOH   113 413 263 HOH   HOH B . 
G 6 HOH   114 414 257 HOH   HOH B . 
G 6 HOH   115 415 103 HOH   HOH B . 
G 6 HOH   116 416 54  HOH   HOH B . 
G 6 HOH   117 417 38  HOH   HOH B . 
G 6 HOH   118 418 41  HOH   HOH B . 
G 6 HOH   119 419 44  HOH   HOH B . 
G 6 HOH   120 420 22  HOH   HOH B . 
G 6 HOH   121 421 53  HOH   HOH B . 
G 6 HOH   122 422 140 HOH   HOH B . 
G 6 HOH   123 423 45  HOH   HOH B . 
G 6 HOH   124 424 112 HOH   HOH B . 
G 6 HOH   125 425 133 HOH   HOH B . 
G 6 HOH   126 426 197 HOH   HOH B . 
G 6 HOH   127 427 19  HOH   HOH B . 
G 6 HOH   128 428 30  HOH   HOH B . 
G 6 HOH   129 429 114 HOH   HOH B . 
G 6 HOH   130 430 266 HOH   HOH B . 
G 6 HOH   131 431 156 HOH   HOH B . 
G 6 HOH   132 432 115 HOH   HOH B . 
G 6 HOH   133 433 23  HOH   HOH B . 
G 6 HOH   134 434 21  HOH   HOH B . 
G 6 HOH   135 435 13  HOH   HOH B . 
G 6 HOH   136 436 98  HOH   HOH B . 
G 6 HOH   137 437 82  HOH   HOH B . 
G 6 HOH   138 438 104 HOH   HOH B . 
G 6 HOH   139 439 205 HOH   HOH B . 
G 6 HOH   140 440 166 HOH   HOH B . 
G 6 HOH   141 441 127 HOH   HOH B . 
G 6 HOH   142 442 259 HOH   HOH B . 
G 6 HOH   143 443 270 HOH   HOH B . 
G 6 HOH   144 444 14  HOH   HOH B . 
G 6 HOH   145 445 131 HOH   HOH B . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 B LEU 192 ? CG  ? A LEU 186 CG  
2 1 Y 1 B LEU 192 ? CD1 ? A LEU 186 CD1 
3 1 Y 1 B LEU 192 ? CD2 ? A LEU 186 CD2 
# 
loop_
_software.pdbx_ordinal 
_software.name 
_software.version 
_software.date 
_software.type 
_software.contact_author 
_software.contact_author_email 
_software.classification 
_software.location 
_software.language 
_software.citation_id 
1 REFMAC      5.8.0267 ?               program 'Garib N. Murshudov' garib@ysbl.york.ac.uk    refinement        
http://www.ccp4.ac.uk/dist/html/refmac5.html        Fortran_77 ? 
2 Aimless     0.7.15   02/11/23        program 'Phil Evans'         ?                        'data scaling'    
http://www.mrc-lmb.cam.ac.uk/harry/pre/aimless.html ?          ? 
3 PDB_EXTRACT 3.23     'SEP. 23, 2016' package PDB                  deposit@deposit.rcsb.org 'data extraction' 
http://sw-tools.pdb.org/apps/PDB_EXTRACT/           C++        ? 
4 XDS         .        ?               program ?                    ?                        'data reduction'  ? ?          ? 
5 REFMAC      .        ?               program ?                    ?                        phasing           ? ?          ? 
# 
_cell.entry_id           7HN3 
_cell.length_a           95.320 
_cell.length_b           95.320 
_cell.length_c           45.720 
_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                         7HN3 
_symmetry.Int_Tables_number                79 
_symmetry.space_group_name_H-M             'I 4' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.cell_setting                     ? 
# 
_exptl.crystals_number   1 
_exptl.entry_id          7HN3 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.40 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   48.84 
_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                     7HN3 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             31.180 
_reflns.d_resolution_high            1.280 
_reflns.number_obs                   51319 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         97.000 
_reflns.pdbx_Rmerge_I_obs            0.056 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        19.100 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              11.100 
_reflns.pdbx_Rrim_I_all              0.059 
_reflns.pdbx_Rpim_I_all              0.016 
_reflns.pdbx_CC_half                 1.000 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     568224 
_reflns.pdbx_scaling_rejects         14 
_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 1.280 1.310  ? 12269 3051 ? 1.189 ? ? ? 4.000  ? 1.000  ? ? ? ? ? ? 77.800 1.371 0.652 0.357 
1 2 5.720 31.180 ? 7962  625  ? 0.031 ? ? ? 12.700 ? 67.400 ? ? ? ? ? ? 99.500 0.032 0.009 0.999 
# 
_refine.entry_id                                 7HN3 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.2800 
_refine.ls_d_res_low                             31.2000 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    96.8300 
_refine.ls_number_reflns_obs                     48817 
_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                          0.1774 
_refine.ls_R_factor_R_work                       0.1763 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.1983 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.9000 
_refine.ls_number_reflns_R_free                  2500 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               17.5960 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.0500 
_refine.aniso_B[2][2]                            0.0500 
_refine.aniso_B[3][3]                            -0.1000 
_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               0.9720 
_refine.correlation_coeff_Fo_to_Fc_free          0.9640 
_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                       0.0500 
_refine.pdbx_overall_ESU_R_Free                  0.0520 
_refine.overall_SU_ML                            0.0370 
_refine.overall_SU_B                             0.9050 
_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                                80.760 
_refine.B_iso_min                                9.500 
_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                       1.2800 
_refine_hist.d_res_low                        31.2000 
_refine_hist.pdbx_number_atoms_ligand         40 
_refine_hist.number_atoms_solvent             145 
_refine_hist.number_atoms_total               1678 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           35.69 
_refine_hist.pdbx_B_iso_mean_solvent          27.69 
_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       2044 0.012  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1643 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2550 1.835  1.647  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3792 1.433  1.579  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 235  7.192  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 107  27.701 21.215 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 285  12.721 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   21.875 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         217  0.085  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2224 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     488  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            947  1.460  1.548  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         942  1.418  1.537  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1129 2.269  2.316  ? ? 
# 
_refine_ls_shell.d_res_high                       1.2800 
_refine_ls_shell.d_res_low                        1.3130 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               76.9300 
_refine_ls_shell.number_reflns_R_work             2859 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3620 
_refine_ls_shell.R_factor_R_free                  0.3390 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             178 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                3037 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HN3 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z2301438417' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HN3 
_struct_keywords.text            'SGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, TRIM21, LIGASE' 
_struct_keywords.pdbx_keywords   LIGASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
E N N 2 ? 
F N N 5 ? 
G N N 6 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    RO52_MOUSE 
_struct_ref.pdbx_db_accession          Q62191 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;VHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGVCRDSVQRK
GQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFAGPLRPFFN
VGFNYSGGNAAPLKLCPLKM
;
_struct_ref.pdbx_align_begin           291 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              7HN3 
_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 7HN3 MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HN3 HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HN3 HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HN3 HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HN3 HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HN3 HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HN3 HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HN3 MET B 8 ? UNP Q62191 ? ? 'expression tag'        14 8 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 4  ? MET A 8  ? HIS B 10  MET B 14  5 ? 5 
HELX_P HELX_P2 AA2 ASP A 14 ? ALA A 18 ? ASP B 20  ALA B 24  5 ? 5 
HELX_P HELX_P3 AA3 SER A 94 ? ASN A 97 ? SER B 100 ASN B 103 5 ? 4 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           114 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            120 
_struct_mon_prot_cis.auth_asym_id           B 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    115 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     121 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    B 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -1.12 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 7 ? 
AA2 ? 6 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 LEU A 22  ? ILE A 24  ? LEU B 28  ILE B 30  
AA1 2 GLN A 30  ? MET A 33  ? GLN B 36  MET B 39  
AA1 3 LEU A 181 ? LEU A 183 ? LEU B 187 LEU B 189 
AA1 4 LYS A 63  ? ASP A 69  ? LYS B 69  ASP B 75  
AA1 5 GLN A 127 ? ASP A 133 ? GLN B 133 ASP B 139 
AA1 6 VAL A 138 ? ASN A 143 ? VAL B 144 ASN B 149 
AA1 7 SER A 149 ? PHE A 154 ? SER B 155 PHE B 160 
AA2 1 MET A 52  ? LEU A 54  ? MET B 58  LEU B 60  
AA2 2 LEU A 163 ? ASN A 168 ? LEU B 169 ASN B 174 
AA2 3 TRP A 76  ? ARG A 82  ? TRP B 82  ARG B 88  
AA2 4 PHE A 99  ? TRP A 105 ? PHE B 105 TRP B 111 
AA2 5 SER A 108 ? ALA A 111 ? SER B 114 ALA B 117 
AA2 6 THR A 117 ? THR A 118 ? THR B 123 THR B 124 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N ILE A 23  ? N ILE B 29  O ARG A 32  ? O ARG B 38  
AA1 2 3 N VAL A 31  ? N VAL B 37  O LEU A 181 ? O LEU B 187 
AA1 3 4 O LYS A 182 ? O LYS B 188 N ASP A 69  ? N ASP B 75  
AA1 4 5 N TRP A 66  ? N TRP B 72  O ILE A 130 ? O ILE B 136 
AA1 5 6 N PHE A 131 ? N PHE B 137 O SER A 140 ? O SER B 146 
AA1 6 7 N PHE A 141 ? N PHE B 147 O ILE A 151 ? O ILE B 157 
AA2 1 2 N VAL A 53  ? N VAL B 59  O PHE A 167 ? O PHE B 173 
AA2 2 3 O ARG A 164 ? O ARG B 170 N CYS A 81  ? N CYS B 87  
AA2 3 4 N VAL A 80  ? N VAL B 86  O TRP A 100 ? O TRP B 106 
AA2 4 5 N TRP A 105 ? N TRP B 111 O SER A 108 ? O SER B 114 
AA2 5 6 N ALA A 111 ? N ALA B 117 O THR A 117 ? O THR B 123 
# 
_pdbx_entry_details.entry_id                   7HN3 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             CG 
_pdbx_validate_rmsd_angle.auth_asym_id_1             B 
_pdbx_validate_rmsd_angle.auth_comp_id_1             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_1              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CD 
_pdbx_validate_rmsd_angle.auth_asym_id_2             B 
_pdbx_validate_rmsd_angle.auth_comp_id_2             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_2              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             NE 
_pdbx_validate_rmsd_angle.auth_asym_id_3             B 
_pdbx_validate_rmsd_angle.auth_comp_id_3             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_3              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                127.88 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            16.08 
_pdbx_validate_rmsd_angle.angle_standard_deviation   2.10 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASN B 45  ? ? 71.47   36.20 
2 1 ASP B 152 ? ? -101.40 51.31 
# 
_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     429 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   G 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
_phasing.method   MR 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 B MET 7   ? A MET 1   
2 1 Y 1 B LYS 193 ? A LYS 187 
3 1 Y 1 B MET 194 ? A MET 188 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
A1BFQ N1   N Y N 1   
A1BFQ N3   N Y N 2   
A1BFQ C4   C Y N 3   
A1BFQ C5   C Y N 4   
A1BFQ C6   C Y N 5   
A1BFQ C7   C Y N 6   
A1BFQ C1   C N N 7   
A1BFQ C2   C Y N 8   
A1BFQ C3   C N N 9   
A1BFQ N2   N Y N 10  
A1BFQ N4   N Y N 11  
A1BFQ O1   O N N 12  
A1BFQ H8   H N N 13  
A1BFQ H3   H N N 14  
A1BFQ H2   H N N 15  
A1BFQ H1   H N N 16  
A1BFQ H6   H N N 17  
A1BFQ H4   H N N 18  
A1BFQ H5   H N N 19  
A1BFQ H7   H N N 20  
ALA   N    N N N 21  
ALA   CA   C N S 22  
ALA   C    C N N 23  
ALA   O    O N N 24  
ALA   CB   C N N 25  
ALA   OXT  O N N 26  
ALA   H    H N N 27  
ALA   H2   H N N 28  
ALA   HA   H N N 29  
ALA   HB1  H N N 30  
ALA   HB2  H N N 31  
ALA   HB3  H N N 32  
ALA   HXT  H N N 33  
ARG   N    N N N 34  
ARG   CA   C N S 35  
ARG   C    C N N 36  
ARG   O    O N N 37  
ARG   CB   C N N 38  
ARG   CG   C N N 39  
ARG   CD   C N N 40  
ARG   NE   N N N 41  
ARG   CZ   C N N 42  
ARG   NH1  N N N 43  
ARG   NH2  N N N 44  
ARG   OXT  O N N 45  
ARG   H    H N N 46  
ARG   H2   H N N 47  
ARG   HA   H N N 48  
ARG   HB2  H N N 49  
ARG   HB3  H N N 50  
ARG   HG2  H N N 51  
ARG   HG3  H N N 52  
ARG   HD2  H N N 53  
ARG   HD3  H N N 54  
ARG   HE   H N N 55  
ARG   HH11 H N N 56  
ARG   HH12 H N N 57  
ARG   HH21 H N N 58  
ARG   HH22 H N N 59  
ARG   HXT  H N N 60  
ASN   N    N N N 61  
ASN   CA   C N S 62  
ASN   C    C N N 63  
ASN   O    O N N 64  
ASN   CB   C N N 65  
ASN   CG   C N N 66  
ASN   OD1  O N N 67  
ASN   ND2  N N N 68  
ASN   OXT  O N N 69  
ASN   H    H N N 70  
ASN   H2   H N N 71  
ASN   HA   H N N 72  
ASN   HB2  H N N 73  
ASN   HB3  H N N 74  
ASN   HD21 H N N 75  
ASN   HD22 H N N 76  
ASN   HXT  H N N 77  
ASP   N    N N N 78  
ASP   CA   C N S 79  
ASP   C    C N N 80  
ASP   O    O N N 81  
ASP   CB   C N N 82  
ASP   CG   C N N 83  
ASP   OD1  O N N 84  
ASP   OD2  O N N 85  
ASP   OXT  O N N 86  
ASP   H    H N N 87  
ASP   H2   H N N 88  
ASP   HA   H N N 89  
ASP   HB2  H N N 90  
ASP   HB3  H N N 91  
ASP   HD2  H N N 92  
ASP   HXT  H N N 93  
CYS   N    N N N 94  
CYS   CA   C N R 95  
CYS   C    C N N 96  
CYS   O    O N N 97  
CYS   CB   C N N 98  
CYS   SG   S N N 99  
CYS   OXT  O N N 100 
CYS   H    H N N 101 
CYS   H2   H N N 102 
CYS   HA   H N N 103 
CYS   HB2  H N N 104 
CYS   HB3  H N N 105 
CYS   HG   H N N 106 
CYS   HXT  H N N 107 
EDO   C1   C N N 108 
EDO   O1   O N N 109 
EDO   C2   C N N 110 
EDO   O2   O N N 111 
EDO   H11  H N N 112 
EDO   H12  H N N 113 
EDO   HO1  H N N 114 
EDO   H21  H N N 115 
EDO   H22  H N N 116 
EDO   HO2  H N N 117 
EPE   N1   N N N 118 
EPE   C2   C N N 119 
EPE   C3   C N N 120 
EPE   N4   N N N 121 
EPE   C5   C N N 122 
EPE   C6   C N N 123 
EPE   C7   C N N 124 
EPE   C8   C N N 125 
EPE   O8   O N N 126 
EPE   C9   C N N 127 
EPE   C10  C N N 128 
EPE   S    S N N 129 
EPE   O1S  O N N 130 
EPE   O2S  O N N 131 
EPE   O3S  O N N 132 
EPE   H21  H N N 133 
EPE   H22  H N N 134 
EPE   H31  H N N 135 
EPE   H32  H N N 136 
EPE   H51  H N N 137 
EPE   H52  H N N 138 
EPE   H61  H N N 139 
EPE   H62  H N N 140 
EPE   H71  H N N 141 
EPE   H72  H N N 142 
EPE   H81  H N N 143 
EPE   H82  H N N 144 
EPE   HO8  H N N 145 
EPE   H91  H N N 146 
EPE   H92  H N N 147 
EPE   H101 H N N 148 
EPE   H102 H N N 149 
EPE   HOS3 H N N 150 
GLN   N    N N N 151 
GLN   CA   C N S 152 
GLN   C    C N N 153 
GLN   O    O N N 154 
GLN   CB   C N N 155 
GLN   CG   C N N 156 
GLN   CD   C N N 157 
GLN   OE1  O N N 158 
GLN   NE2  N N N 159 
GLN   OXT  O N N 160 
GLN   H    H N N 161 
GLN   H2   H N N 162 
GLN   HA   H N N 163 
GLN   HB2  H N N 164 
GLN   HB3  H N N 165 
GLN   HG2  H N N 166 
GLN   HG3  H N N 167 
GLN   HE21 H N N 168 
GLN   HE22 H N N 169 
GLN   HXT  H N N 170 
GLU   N    N N N 171 
GLU   CA   C N S 172 
GLU   C    C N N 173 
GLU   O    O N N 174 
GLU   CB   C N N 175 
GLU   CG   C N N 176 
GLU   CD   C N N 177 
GLU   OE1  O N N 178 
GLU   OE2  O N N 179 
GLU   OXT  O N N 180 
GLU   H    H N N 181 
GLU   H2   H N N 182 
GLU   HA   H N N 183 
GLU   HB2  H N N 184 
GLU   HB3  H N N 185 
GLU   HG2  H N N 186 
GLU   HG3  H N N 187 
GLU   HE2  H N N 188 
GLU   HXT  H N N 189 
GLY   N    N N N 190 
GLY   CA   C N N 191 
GLY   C    C N N 192 
GLY   O    O N N 193 
GLY   OXT  O N N 194 
GLY   H    H N N 195 
GLY   H2   H N N 196 
GLY   HA2  H N N 197 
GLY   HA3  H N N 198 
GLY   HXT  H N N 199 
HIS   N    N N N 200 
HIS   CA   C N S 201 
HIS   C    C N N 202 
HIS   O    O N N 203 
HIS   CB   C N N 204 
HIS   CG   C Y N 205 
HIS   ND1  N Y N 206 
HIS   CD2  C Y N 207 
HIS   CE1  C Y N 208 
HIS   NE2  N Y N 209 
HIS   OXT  O N N 210 
HIS   H    H N N 211 
HIS   H2   H N N 212 
HIS   HA   H N N 213 
HIS   HB2  H N N 214 
HIS   HB3  H N N 215 
HIS   HD1  H N N 216 
HIS   HD2  H N N 217 
HIS   HE1  H N N 218 
HIS   HE2  H N N 219 
HIS   HXT  H N N 220 
HOH   O    O N N 221 
HOH   H1   H N N 222 
HOH   H2   H N N 223 
ILE   N    N N N 224 
ILE   CA   C N S 225 
ILE   C    C N N 226 
ILE   O    O N N 227 
ILE   CB   C N S 228 
ILE   CG1  C N N 229 
ILE   CG2  C N N 230 
ILE   CD1  C N N 231 
ILE   OXT  O N N 232 
ILE   H    H N N 233 
ILE   H2   H N N 234 
ILE   HA   H N N 235 
ILE   HB   H N N 236 
ILE   HG12 H N N 237 
ILE   HG13 H N N 238 
ILE   HG21 H N N 239 
ILE   HG22 H N N 240 
ILE   HG23 H N N 241 
ILE   HD11 H N N 242 
ILE   HD12 H N N 243 
ILE   HD13 H N N 244 
ILE   HXT  H N N 245 
LEU   N    N N N 246 
LEU   CA   C N S 247 
LEU   C    C N N 248 
LEU   O    O N N 249 
LEU   CB   C N N 250 
LEU   CG   C N N 251 
LEU   CD1  C N N 252 
LEU   CD2  C N N 253 
LEU   OXT  O N N 254 
LEU   H    H N N 255 
LEU   H2   H N N 256 
LEU   HA   H N N 257 
LEU   HB2  H N N 258 
LEU   HB3  H N N 259 
LEU   HG   H N N 260 
LEU   HD11 H N N 261 
LEU   HD12 H N N 262 
LEU   HD13 H N N 263 
LEU   HD21 H N N 264 
LEU   HD22 H N N 265 
LEU   HD23 H N N 266 
LEU   HXT  H N N 267 
LYS   N    N N N 268 
LYS   CA   C N S 269 
LYS   C    C N N 270 
LYS   O    O N N 271 
LYS   CB   C N N 272 
LYS   CG   C N N 273 
LYS   CD   C N N 274 
LYS   CE   C N N 275 
LYS   NZ   N N N 276 
LYS   OXT  O N N 277 
LYS   H    H N N 278 
LYS   H2   H N N 279 
LYS   HA   H N N 280 
LYS   HB2  H N N 281 
LYS   HB3  H N N 282 
LYS   HG2  H N N 283 
LYS   HG3  H N N 284 
LYS   HD2  H N N 285 
LYS   HD3  H N N 286 
LYS   HE2  H N N 287 
LYS   HE3  H N N 288 
LYS   HZ1  H N N 289 
LYS   HZ2  H N N 290 
LYS   HZ3  H N N 291 
LYS   HXT  H N N 292 
MET   N    N N N 293 
MET   CA   C N S 294 
MET   C    C N N 295 
MET   O    O N N 296 
MET   CB   C N N 297 
MET   CG   C N N 298 
MET   SD   S N N 299 
MET   CE   C N N 300 
MET   OXT  O N N 301 
MET   H    H N N 302 
MET   H2   H N N 303 
MET   HA   H N N 304 
MET   HB2  H N N 305 
MET   HB3  H N N 306 
MET   HG2  H N N 307 
MET   HG3  H N N 308 
MET   HE1  H N N 309 
MET   HE2  H N N 310 
MET   HE3  H N N 311 
MET   HXT  H N N 312 
PHE   N    N N N 313 
PHE   CA   C N S 314 
PHE   C    C N N 315 
PHE   O    O N N 316 
PHE   CB   C N N 317 
PHE   CG   C Y N 318 
PHE   CD1  C Y N 319 
PHE   CD2  C Y N 320 
PHE   CE1  C Y N 321 
PHE   CE2  C Y N 322 
PHE   CZ   C Y N 323 
PHE   OXT  O N N 324 
PHE   H    H N N 325 
PHE   H2   H N N 326 
PHE   HA   H N N 327 
PHE   HB2  H N N 328 
PHE   HB3  H N N 329 
PHE   HD1  H N N 330 
PHE   HD2  H N N 331 
PHE   HE1  H N N 332 
PHE   HE2  H N N 333 
PHE   HZ   H N N 334 
PHE   HXT  H N N 335 
PRO   N    N N N 336 
PRO   CA   C N S 337 
PRO   C    C N N 338 
PRO   O    O N N 339 
PRO   CB   C N N 340 
PRO   CG   C N N 341 
PRO   CD   C N N 342 
PRO   OXT  O N N 343 
PRO   H    H N N 344 
PRO   HA   H N N 345 
PRO   HB2  H N N 346 
PRO   HB3  H N N 347 
PRO   HG2  H N N 348 
PRO   HG3  H N N 349 
PRO   HD2  H N N 350 
PRO   HD3  H N N 351 
PRO   HXT  H N N 352 
SER   N    N N N 353 
SER   CA   C N S 354 
SER   C    C N N 355 
SER   O    O N N 356 
SER   CB   C N N 357 
SER   OG   O N N 358 
SER   OXT  O N N 359 
SER   H    H N N 360 
SER   H2   H N N 361 
SER   HA   H N N 362 
SER   HB2  H N N 363 
SER   HB3  H N N 364 
SER   HG   H N N 365 
SER   HXT  H N N 366 
SO4   S    S N N 367 
SO4   O1   O N N 368 
SO4   O2   O N N 369 
SO4   O3   O N N 370 
SO4   O4   O N N 371 
THR   N    N N N 372 
THR   CA   C N S 373 
THR   C    C N N 374 
THR   O    O N N 375 
THR   CB   C N R 376 
THR   OG1  O N N 377 
THR   CG2  C N N 378 
THR   OXT  O N N 379 
THR   H    H N N 380 
THR   H2   H N N 381 
THR   HA   H N N 382 
THR   HB   H N N 383 
THR   HG1  H N N 384 
THR   HG21 H N N 385 
THR   HG22 H N N 386 
THR   HG23 H N N 387 
THR   HXT  H N N 388 
TRP   N    N N N 389 
TRP   CA   C N S 390 
TRP   C    C N N 391 
TRP   O    O N N 392 
TRP   CB   C N N 393 
TRP   CG   C Y N 394 
TRP   CD1  C Y N 395 
TRP   CD2  C Y N 396 
TRP   NE1  N Y N 397 
TRP   CE2  C Y N 398 
TRP   CE3  C Y N 399 
TRP   CZ2  C Y N 400 
TRP   CZ3  C Y N 401 
TRP   CH2  C Y N 402 
TRP   OXT  O N N 403 
TRP   H    H N N 404 
TRP   H2   H N N 405 
TRP   HA   H N N 406 
TRP   HB2  H N N 407 
TRP   HB3  H N N 408 
TRP   HD1  H N N 409 
TRP   HE1  H N N 410 
TRP   HE3  H N N 411 
TRP   HZ2  H N N 412 
TRP   HZ3  H N N 413 
TRP   HH2  H N N 414 
TRP   HXT  H N N 415 
TYR   N    N N N 416 
TYR   CA   C N S 417 
TYR   C    C N N 418 
TYR   O    O N N 419 
TYR   CB   C N N 420 
TYR   CG   C Y N 421 
TYR   CD1  C Y N 422 
TYR   CD2  C Y N 423 
TYR   CE1  C Y N 424 
TYR   CE2  C Y N 425 
TYR   CZ   C Y N 426 
TYR   OH   O N N 427 
TYR   OXT  O N N 428 
TYR   H    H N N 429 
TYR   H2   H N N 430 
TYR   HA   H N N 431 
TYR   HB2  H N N 432 
TYR   HB3  H N N 433 
TYR   HD1  H N N 434 
TYR   HD2  H N N 435 
TYR   HE1  H N N 436 
TYR   HE2  H N N 437 
TYR   HH   H N N 438 
TYR   HXT  H N N 439 
VAL   N    N N N 440 
VAL   CA   C N S 441 
VAL   C    C N N 442 
VAL   O    O N N 443 
VAL   CB   C N N 444 
VAL   CG1  C N N 445 
VAL   CG2  C N N 446 
VAL   OXT  O N N 447 
VAL   H    H N N 448 
VAL   H2   H N N 449 
VAL   HA   H N N 450 
VAL   HB   H N N 451 
VAL   HG11 H N N 452 
VAL   HG12 H N N 453 
VAL   HG13 H N N 454 
VAL   HG21 H N N 455 
VAL   HG22 H N N 456 
VAL   HG23 H N N 457 
VAL   HXT  H N N 458 
# 
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 
A1BFQ C1  C2   sing N N 1   
A1BFQ C2  N1   doub Y N 2   
A1BFQ N1  N2   sing Y N 3   
A1BFQ N2  C3   sing N N 4   
A1BFQ N2  C4   sing Y N 5   
A1BFQ C4  C5   doub Y N 6   
A1BFQ C5  O1   sing N N 7   
A1BFQ C5  N3   sing Y N 8   
A1BFQ N3  N4   doub Y N 9   
A1BFQ N4  C6   sing Y N 10  
A1BFQ C6  C7   doub Y N 11  
A1BFQ C2  C7   sing Y N 12  
A1BFQ C4  C7   sing Y N 13  
A1BFQ C6  H8   sing N N 14  
A1BFQ C1  H3   sing N N 15  
A1BFQ C1  H2   sing N N 16  
A1BFQ C1  H1   sing N N 17  
A1BFQ C3  H6   sing N N 18  
A1BFQ C3  H4   sing N N 19  
A1BFQ C3  H5   sing N N 20  
A1BFQ O1  H7   sing N N 21  
ALA   N   CA   sing N N 22  
ALA   N   H    sing N N 23  
ALA   N   H2   sing N N 24  
ALA   CA  C    sing N N 25  
ALA   CA  CB   sing N N 26  
ALA   CA  HA   sing N N 27  
ALA   C   O    doub N N 28  
ALA   C   OXT  sing N N 29  
ALA   CB  HB1  sing N N 30  
ALA   CB  HB2  sing N N 31  
ALA   CB  HB3  sing N N 32  
ALA   OXT HXT  sing N N 33  
ARG   N   CA   sing N N 34  
ARG   N   H    sing N N 35  
ARG   N   H2   sing N N 36  
ARG   CA  C    sing N N 37  
ARG   CA  CB   sing N N 38  
ARG   CA  HA   sing N N 39  
ARG   C   O    doub N N 40  
ARG   C   OXT  sing N N 41  
ARG   CB  CG   sing N N 42  
ARG   CB  HB2  sing N N 43  
ARG   CB  HB3  sing N N 44  
ARG   CG  CD   sing N N 45  
ARG   CG  HG2  sing N N 46  
ARG   CG  HG3  sing N N 47  
ARG   CD  NE   sing N N 48  
ARG   CD  HD2  sing N N 49  
ARG   CD  HD3  sing N N 50  
ARG   NE  CZ   sing N N 51  
ARG   NE  HE   sing N N 52  
ARG   CZ  NH1  sing N N 53  
ARG   CZ  NH2  doub N N 54  
ARG   NH1 HH11 sing N N 55  
ARG   NH1 HH12 sing N N 56  
ARG   NH2 HH21 sing N N 57  
ARG   NH2 HH22 sing N N 58  
ARG   OXT HXT  sing N N 59  
ASN   N   CA   sing N N 60  
ASN   N   H    sing N N 61  
ASN   N   H2   sing N N 62  
ASN   CA  C    sing N N 63  
ASN   CA  CB   sing N N 64  
ASN   CA  HA   sing N N 65  
ASN   C   O    doub N N 66  
ASN   C   OXT  sing N N 67  
ASN   CB  CG   sing N N 68  
ASN   CB  HB2  sing N N 69  
ASN   CB  HB3  sing N N 70  
ASN   CG  OD1  doub N N 71  
ASN   CG  ND2  sing N N 72  
ASN   ND2 HD21 sing N N 73  
ASN   ND2 HD22 sing N N 74  
ASN   OXT HXT  sing N N 75  
ASP   N   CA   sing N N 76  
ASP   N   H    sing N N 77  
ASP   N   H2   sing N N 78  
ASP   CA  C    sing N N 79  
ASP   CA  CB   sing N N 80  
ASP   CA  HA   sing N N 81  
ASP   C   O    doub N N 82  
ASP   C   OXT  sing N N 83  
ASP   CB  CG   sing N N 84  
ASP   CB  HB2  sing N N 85  
ASP   CB  HB3  sing N N 86  
ASP   CG  OD1  doub N N 87  
ASP   CG  OD2  sing N N 88  
ASP   OD2 HD2  sing N N 89  
ASP   OXT HXT  sing N N 90  
CYS   N   CA   sing N N 91  
CYS   N   H    sing N N 92  
CYS   N   H2   sing N N 93  
CYS   CA  C    sing N N 94  
CYS   CA  CB   sing N N 95  
CYS   CA  HA   sing N N 96  
CYS   C   O    doub N N 97  
CYS   C   OXT  sing N N 98  
CYS   CB  SG   sing N N 99  
CYS   CB  HB2  sing N N 100 
CYS   CB  HB3  sing N N 101 
CYS   SG  HG   sing N N 102 
CYS   OXT HXT  sing N N 103 
EDO   C1  O1   sing N N 104 
EDO   C1  C2   sing N N 105 
EDO   C1  H11  sing N N 106 
EDO   C1  H12  sing N N 107 
EDO   O1  HO1  sing N N 108 
EDO   C2  O2   sing N N 109 
EDO   C2  H21  sing N N 110 
EDO   C2  H22  sing N N 111 
EDO   O2  HO2  sing N N 112 
EPE   N1  C2   sing N N 113 
EPE   N1  C6   sing N N 114 
EPE   N1  C9   sing N N 115 
EPE   C2  C3   sing N N 116 
EPE   C2  H21  sing N N 117 
EPE   C2  H22  sing N N 118 
EPE   C3  N4   sing N N 119 
EPE   C3  H31  sing N N 120 
EPE   C3  H32  sing N N 121 
EPE   N4  C5   sing N N 122 
EPE   N4  C7   sing N N 123 
EPE   C5  C6   sing N N 124 
EPE   C5  H51  sing N N 125 
EPE   C5  H52  sing N N 126 
EPE   C6  H61  sing N N 127 
EPE   C6  H62  sing N N 128 
EPE   C7  C8   sing N N 129 
EPE   C7  H71  sing N N 130 
EPE   C7  H72  sing N N 131 
EPE   C8  O8   sing N N 132 
EPE   C8  H81  sing N N 133 
EPE   C8  H82  sing N N 134 
EPE   O8  HO8  sing N N 135 
EPE   C9  C10  sing N N 136 
EPE   C9  H91  sing N N 137 
EPE   C9  H92  sing N N 138 
EPE   C10 S    sing N N 139 
EPE   C10 H101 sing N N 140 
EPE   C10 H102 sing N N 141 
EPE   S   O1S  doub N N 142 
EPE   S   O2S  doub N N 143 
EPE   S   O3S  sing N N 144 
EPE   O3S HOS3 sing N N 145 
GLN   N   CA   sing N N 146 
GLN   N   H    sing N N 147 
GLN   N   H2   sing N N 148 
GLN   CA  C    sing N N 149 
GLN   CA  CB   sing N N 150 
GLN   CA  HA   sing N N 151 
GLN   C   O    doub N N 152 
GLN   C   OXT  sing N N 153 
GLN   CB  CG   sing N N 154 
GLN   CB  HB2  sing N N 155 
GLN   CB  HB3  sing N N 156 
GLN   CG  CD   sing N N 157 
GLN   CG  HG2  sing N N 158 
GLN   CG  HG3  sing N N 159 
GLN   CD  OE1  doub N N 160 
GLN   CD  NE2  sing N N 161 
GLN   NE2 HE21 sing N N 162 
GLN   NE2 HE22 sing N N 163 
GLN   OXT HXT  sing N N 164 
GLU   N   CA   sing N N 165 
GLU   N   H    sing N N 166 
GLU   N   H2   sing N N 167 
GLU   CA  C    sing N N 168 
GLU   CA  CB   sing N N 169 
GLU   CA  HA   sing N N 170 
GLU   C   O    doub N N 171 
GLU   C   OXT  sing N N 172 
GLU   CB  CG   sing N N 173 
GLU   CB  HB2  sing N N 174 
GLU   CB  HB3  sing N N 175 
GLU   CG  CD   sing N N 176 
GLU   CG  HG2  sing N N 177 
GLU   CG  HG3  sing N N 178 
GLU   CD  OE1  doub N N 179 
GLU   CD  OE2  sing N N 180 
GLU   OE2 HE2  sing N N 181 
GLU   OXT HXT  sing N N 182 
GLY   N   CA   sing N N 183 
GLY   N   H    sing N N 184 
GLY   N   H2   sing N N 185 
GLY   CA  C    sing N N 186 
GLY   CA  HA2  sing N N 187 
GLY   CA  HA3  sing N N 188 
GLY   C   O    doub N N 189 
GLY   C   OXT  sing N N 190 
GLY   OXT HXT  sing N N 191 
HIS   N   CA   sing N N 192 
HIS   N   H    sing N N 193 
HIS   N   H2   sing N N 194 
HIS   CA  C    sing N N 195 
HIS   CA  CB   sing N N 196 
HIS   CA  HA   sing N N 197 
HIS   C   O    doub N N 198 
HIS   C   OXT  sing N N 199 
HIS   CB  CG   sing N N 200 
HIS   CB  HB2  sing N N 201 
HIS   CB  HB3  sing N N 202 
HIS   CG  ND1  sing Y N 203 
HIS   CG  CD2  doub Y N 204 
HIS   ND1 CE1  doub Y N 205 
HIS   ND1 HD1  sing N N 206 
HIS   CD2 NE2  sing Y N 207 
HIS   CD2 HD2  sing N N 208 
HIS   CE1 NE2  sing Y N 209 
HIS   CE1 HE1  sing N N 210 
HIS   NE2 HE2  sing N N 211 
HIS   OXT HXT  sing N N 212 
HOH   O   H1   sing N N 213 
HOH   O   H2   sing N N 214 
ILE   N   CA   sing N N 215 
ILE   N   H    sing N N 216 
ILE   N   H2   sing N N 217 
ILE   CA  C    sing N N 218 
ILE   CA  CB   sing N N 219 
ILE   CA  HA   sing N N 220 
ILE   C   O    doub N N 221 
ILE   C   OXT  sing N N 222 
ILE   CB  CG1  sing N N 223 
ILE   CB  CG2  sing N N 224 
ILE   CB  HB   sing N N 225 
ILE   CG1 CD1  sing N N 226 
ILE   CG1 HG12 sing N N 227 
ILE   CG1 HG13 sing N N 228 
ILE   CG2 HG21 sing N N 229 
ILE   CG2 HG22 sing N N 230 
ILE   CG2 HG23 sing N N 231 
ILE   CD1 HD11 sing N N 232 
ILE   CD1 HD12 sing N N 233 
ILE   CD1 HD13 sing N N 234 
ILE   OXT HXT  sing N N 235 
LEU   N   CA   sing N N 236 
LEU   N   H    sing N N 237 
LEU   N   H2   sing N N 238 
LEU   CA  C    sing N N 239 
LEU   CA  CB   sing N N 240 
LEU   CA  HA   sing N N 241 
LEU   C   O    doub N N 242 
LEU   C   OXT  sing N N 243 
LEU   CB  CG   sing N N 244 
LEU   CB  HB2  sing N N 245 
LEU   CB  HB3  sing N N 246 
LEU   CG  CD1  sing N N 247 
LEU   CG  CD2  sing N N 248 
LEU   CG  HG   sing N N 249 
LEU   CD1 HD11 sing N N 250 
LEU   CD1 HD12 sing N N 251 
LEU   CD1 HD13 sing N N 252 
LEU   CD2 HD21 sing N N 253 
LEU   CD2 HD22 sing N N 254 
LEU   CD2 HD23 sing N N 255 
LEU   OXT HXT  sing N N 256 
LYS   N   CA   sing N N 257 
LYS   N   H    sing N N 258 
LYS   N   H2   sing N N 259 
LYS   CA  C    sing N N 260 
LYS   CA  CB   sing N N 261 
LYS   CA  HA   sing N N 262 
LYS   C   O    doub N N 263 
LYS   C   OXT  sing N N 264 
LYS   CB  CG   sing N N 265 
LYS   CB  HB2  sing N N 266 
LYS   CB  HB3  sing N N 267 
LYS   CG  CD   sing N N 268 
LYS   CG  HG2  sing N N 269 
LYS   CG  HG3  sing N N 270 
LYS   CD  CE   sing N N 271 
LYS   CD  HD2  sing N N 272 
LYS   CD  HD3  sing N N 273 
LYS   CE  NZ   sing N N 274 
LYS   CE  HE2  sing N N 275 
LYS   CE  HE3  sing N N 276 
LYS   NZ  HZ1  sing N N 277 
LYS   NZ  HZ2  sing N N 278 
LYS   NZ  HZ3  sing N N 279 
LYS   OXT HXT  sing N N 280 
MET   N   CA   sing N N 281 
MET   N   H    sing N N 282 
MET   N   H2   sing N N 283 
MET   CA  C    sing N N 284 
MET   CA  CB   sing N N 285 
MET   CA  HA   sing N N 286 
MET   C   O    doub N N 287 
MET   C   OXT  sing N N 288 
MET   CB  CG   sing N N 289 
MET   CB  HB2  sing N N 290 
MET   CB  HB3  sing N N 291 
MET   CG  SD   sing N N 292 
MET   CG  HG2  sing N N 293 
MET   CG  HG3  sing N N 294 
MET   SD  CE   sing N N 295 
MET   CE  HE1  sing N N 296 
MET   CE  HE2  sing N N 297 
MET   CE  HE3  sing N N 298 
MET   OXT HXT  sing N N 299 
PHE   N   CA   sing N N 300 
PHE   N   H    sing N N 301 
PHE   N   H2   sing N N 302 
PHE   CA  C    sing N N 303 
PHE   CA  CB   sing N N 304 
PHE   CA  HA   sing N N 305 
PHE   C   O    doub N N 306 
PHE   C   OXT  sing N N 307 
PHE   CB  CG   sing N N 308 
PHE   CB  HB2  sing N N 309 
PHE   CB  HB3  sing N N 310 
PHE   CG  CD1  doub Y N 311 
PHE   CG  CD2  sing Y N 312 
PHE   CD1 CE1  sing Y N 313 
PHE   CD1 HD1  sing N N 314 
PHE   CD2 CE2  doub Y N 315 
PHE   CD2 HD2  sing N N 316 
PHE   CE1 CZ   doub Y N 317 
PHE   CE1 HE1  sing N N 318 
PHE   CE2 CZ   sing Y N 319 
PHE   CE2 HE2  sing N N 320 
PHE   CZ  HZ   sing N N 321 
PHE   OXT HXT  sing N N 322 
PRO   N   CA   sing N N 323 
PRO   N   CD   sing N N 324 
PRO   N   H    sing N N 325 
PRO   CA  C    sing N N 326 
PRO   CA  CB   sing N N 327 
PRO   CA  HA   sing N N 328 
PRO   C   O    doub N N 329 
PRO   C   OXT  sing N N 330 
PRO   CB  CG   sing N N 331 
PRO   CB  HB2  sing N N 332 
PRO   CB  HB3  sing N N 333 
PRO   CG  CD   sing N N 334 
PRO   CG  HG2  sing N N 335 
PRO   CG  HG3  sing N N 336 
PRO   CD  HD2  sing N N 337 
PRO   CD  HD3  sing N N 338 
PRO   OXT HXT  sing N N 339 
SER   N   CA   sing N N 340 
SER   N   H    sing N N 341 
SER   N   H2   sing N N 342 
SER   CA  C    sing N N 343 
SER   CA  CB   sing N N 344 
SER   CA  HA   sing N N 345 
SER   C   O    doub N N 346 
SER   C   OXT  sing N N 347 
SER   CB  OG   sing N N 348 
SER   CB  HB2  sing N N 349 
SER   CB  HB3  sing N N 350 
SER   OG  HG   sing N N 351 
SER   OXT HXT  sing N N 352 
SO4   S   O1   doub N N 353 
SO4   S   O2   doub N N 354 
SO4   S   O3   sing N N 355 
SO4   S   O4   sing N N 356 
THR   N   CA   sing N N 357 
THR   N   H    sing N N 358 
THR   N   H2   sing N N 359 
THR   CA  C    sing N N 360 
THR   CA  CB   sing N N 361 
THR   CA  HA   sing N N 362 
THR   C   O    doub N N 363 
THR   C   OXT  sing N N 364 
THR   CB  OG1  sing N N 365 
THR   CB  CG2  sing N N 366 
THR   CB  HB   sing N N 367 
THR   OG1 HG1  sing N N 368 
THR   CG2 HG21 sing N N 369 
THR   CG2 HG22 sing N N 370 
THR   CG2 HG23 sing N N 371 
THR   OXT HXT  sing N N 372 
TRP   N   CA   sing N N 373 
TRP   N   H    sing N N 374 
TRP   N   H2   sing N N 375 
TRP   CA  C    sing N N 376 
TRP   CA  CB   sing N N 377 
TRP   CA  HA   sing N N 378 
TRP   C   O    doub N N 379 
TRP   C   OXT  sing N N 380 
TRP   CB  CG   sing N N 381 
TRP   CB  HB2  sing N N 382 
TRP   CB  HB3  sing N N 383 
TRP   CG  CD1  doub Y N 384 
TRP   CG  CD2  sing Y N 385 
TRP   CD1 NE1  sing Y N 386 
TRP   CD1 HD1  sing N N 387 
TRP   CD2 CE2  doub Y N 388 
TRP   CD2 CE3  sing Y N 389 
TRP   NE1 CE2  sing Y N 390 
TRP   NE1 HE1  sing N N 391 
TRP   CE2 CZ2  sing Y N 392 
TRP   CE3 CZ3  doub Y N 393 
TRP   CE3 HE3  sing N N 394 
TRP   CZ2 CH2  doub Y N 395 
TRP   CZ2 HZ2  sing N N 396 
TRP   CZ3 CH2  sing Y N 397 
TRP   CZ3 HZ3  sing N N 398 
TRP   CH2 HH2  sing N N 399 
TRP   OXT HXT  sing N N 400 
TYR   N   CA   sing N N 401 
TYR   N   H    sing N N 402 
TYR   N   H2   sing N N 403 
TYR   CA  C    sing N N 404 
TYR   CA  CB   sing N N 405 
TYR   CA  HA   sing N N 406 
TYR   C   O    doub N N 407 
TYR   C   OXT  sing N N 408 
TYR   CB  CG   sing N N 409 
TYR   CB  HB2  sing N N 410 
TYR   CB  HB3  sing N N 411 
TYR   CG  CD1  doub Y N 412 
TYR   CG  CD2  sing Y N 413 
TYR   CD1 CE1  sing Y N 414 
TYR   CD1 HD1  sing N N 415 
TYR   CD2 CE2  doub Y N 416 
TYR   CD2 HD2  sing N N 417 
TYR   CE1 CZ   doub Y N 418 
TYR   CE1 HE1  sing N N 419 
TYR   CE2 CZ   sing Y N 420 
TYR   CE2 HE2  sing N N 421 
TYR   CZ  OH   sing N N 422 
TYR   OH  HH   sing N N 423 
TYR   OXT HXT  sing N N 424 
VAL   N   CA   sing N N 425 
VAL   N   H    sing N N 426 
VAL   N   H2   sing N N 427 
VAL   CA  C    sing N N 428 
VAL   CA  CB   sing N N 429 
VAL   CA  HA   sing N N 430 
VAL   C   O    doub N N 431 
VAL   C   OXT  sing N N 432 
VAL   CB  CG1  sing N N 433 
VAL   CB  CG2  sing N N 434 
VAL   CB  HB   sing N N 435 
VAL   CG1 HG11 sing N N 436 
VAL   CG1 HG12 sing N N 437 
VAL   CG1 HG13 sing N N 438 
VAL   CG2 HG21 sing N N 439 
VAL   CG2 HG22 sing N N 440 
VAL   CG2 HG23 sing N N 441 
VAL   OXT HXT  sing N N 442 
# 
_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                    7HN3 
_atom_sites.fract_transf_matrix[1][1]   0.010491 
_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]   0.010491 
_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]   0.021872 
_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   ? -13.247 -12.887 -9.903  1.00 73.01 ? 8   HIS   B N   1 
ATOM   2    C CA  . HIS   A 1 2   ? -12.789 -13.486 -11.205 1.00 67.63 ? 8   HIS   B CA  1 
ATOM   3    C C   . HIS   A 1 2   ? -11.683 -12.619 -11.820 1.00 66.14 ? 8   HIS   B C   1 
ATOM   4    O O   . HIS   A 1 2   ? -11.606 -11.416 -11.475 1.00 73.37 ? 8   HIS   B O   1 
ATOM   5    C CB  . HIS   A 1 2   ? -13.978 -13.674 -12.167 1.00 59.53 ? 8   HIS   B CB  1 
ATOM   6    C CG  . HIS   A 1 2   ? -14.539 -12.407 -12.732 1.00 54.52 ? 8   HIS   B CG  1 
ATOM   7    N ND1 . HIS   A 1 2   ? -14.021 -11.813 -13.868 1.00 54.77 ? 8   HIS   B ND1 1 
ATOM   8    C CD2 . HIS   A 1 2   ? -15.575 -11.630 -12.345 1.00 49.77 ? 8   HIS   B CD2 1 
ATOM   9    C CE1 . HIS   A 1 2   ? -14.700 -10.717 -14.144 1.00 51.70 ? 8   HIS   B CE1 1 
ATOM   10   N NE2 . HIS   A 1 2   ? -15.663 -10.581 -13.231 1.00 45.78 ? 8   HIS   B NE2 1 
ATOM   11   N N   . HIS   A 1 3   ? -10.886 -13.202 -12.721 1.00 60.76 ? 9   HIS   B N   1 
ATOM   12   C CA  . HIS   A 1 3   ? -9.784  -12.527 -13.461 1.00 59.56 ? 9   HIS   B CA  1 
ATOM   13   C C   . HIS   A 1 3   ? -9.995  -12.689 -14.979 1.00 51.59 ? 9   HIS   B C   1 
ATOM   14   O O   . HIS   A 1 3   ? -8.998  -12.953 -15.688 1.00 50.47 ? 9   HIS   B O   1 
ATOM   15   C CB  . HIS   A 1 3   ? -8.432  -13.046 -12.930 1.00 67.89 ? 9   HIS   B CB  1 
ATOM   16   C CG  . HIS   A 1 3   ? -8.243  -12.809 -11.461 1.00 76.54 ? 9   HIS   B CG  1 
ATOM   17   N ND1 . HIS   A 1 3   ? -8.004  -11.547 -10.931 1.00 77.19 ? 9   HIS   B ND1 1 
ATOM   18   C CD2 . HIS   A 1 3   ? -8.275  -13.655 -10.405 1.00 80.76 ? 9   HIS   B CD2 1 
ATOM   19   C CE1 . HIS   A 1 3   ? -7.893  -11.631 -9.619  1.00 78.19 ? 9   HIS   B CE1 1 
ATOM   20   N NE2 . HIS   A 1 3   ? -8.051  -12.914 -9.272  1.00 80.69 ? 9   HIS   B NE2 1 
ATOM   21   N N   . HIS   A 1 4   ? -11.242 -12.500 -15.459 1.00 40.85 ? 10  HIS   B N   1 
ATOM   22   C CA  . HIS   A 1 4   ? -11.675 -12.673 -16.879 1.00 34.24 ? 10  HIS   B CA  1 
ATOM   23   C C   . HIS   A 1 4   ? -11.680 -11.330 -17.613 1.00 33.98 ? 10  HIS   B C   1 
ATOM   24   O O   . HIS   A 1 4   ? -11.822 -11.336 -18.851 1.00 30.38 ? 10  HIS   B O   1 
ATOM   25   C CB  . HIS   A 1 4   ? -13.082 -13.298 -16.974 1.00 31.78 ? 10  HIS   B CB  1 
ATOM   26   C CG  . HIS   A 1 4   ? -13.196 -14.658 -16.376 1.00 31.70 ? 10  HIS   B CG  1 
ATOM   27   N ND1 . HIS   A 1 4   ? -12.294 -15.683 -16.668 1.00 30.66 ? 10  HIS   B ND1 1 
ATOM   28   C CD2 . HIS   A 1 4   ? -14.111 -15.188 -15.534 1.00 30.58 ? 10  HIS   B CD2 1 
ATOM   29   C CE1 . HIS   A 1 4   ? -12.644 -16.772 -16.005 1.00 35.64 ? 10  HIS   B CE1 1 
ATOM   30   N NE2 . HIS   A 1 4   ? -13.761 -16.496 -15.313 1.00 34.44 ? 10  HIS   B NE2 1 
ATOM   31   N N   . HIS   A 1 5   ? -11.516 -10.218 -16.891 1.00 34.92 ? 11  HIS   B N   1 
ATOM   32   C CA  . HIS   A 1 5   ? -11.596 -8.832  -17.434 1.00 37.14 ? 11  HIS   B CA  1 
ATOM   33   C C   . HIS   A 1 5   ? -10.695 -8.649  -18.668 1.00 34.28 ? 11  HIS   B C   1 
ATOM   34   O O   . HIS   A 1 5   ? -11.138 -7.941  -19.589 1.00 34.38 ? 11  HIS   B O   1 
ATOM   35   C CB  . HIS   A 1 5   ? -11.283 -7.775  -16.353 1.00 46.23 ? 11  HIS   B CB  1 
ATOM   36   C CG  . HIS   A 1 5   ? -12.134 -7.878  -15.130 1.00 56.62 ? 11  HIS   B CG  1 
ATOM   37   N ND1 . HIS   A 1 5   ? -11.694 -8.514  -13.972 1.00 68.24 ? 11  HIS   B ND1 1 
ATOM   38   C CD2 . HIS   A 1 5   ? -13.388 -7.441  -14.871 1.00 61.84 ? 11  HIS   B CD2 1 
ATOM   39   C CE1 . HIS   A 1 5   ? -12.643 -8.460  -13.053 1.00 68.50 ? 11  HIS   B CE1 1 
ATOM   40   N NE2 . HIS   A 1 5   ? -13.696 -7.809  -13.581 1.00 66.16 ? 11  HIS   B NE2 1 
ATOM   41   N N   . HIS   A 1 6   ? -9.506  -9.274  -18.728 1.00 31.92 ? 12  HIS   B N   1 
ATOM   42   C CA  . HIS   A 1 6   ? -8.519  -9.114  -19.834 1.00 34.31 ? 12  HIS   B CA  1 
ATOM   43   C C   . HIS   A 1 6   ? -8.998  -9.758  -21.148 1.00 32.19 ? 12  HIS   B C   1 
ATOM   44   O O   . HIS   A 1 6   ? -8.365  -9.508  -22.183 1.00 32.91 ? 12  HIS   B O   1 
ATOM   45   C CB  . HIS   A 1 6   ? -7.137  -9.640  -19.414 1.00 40.75 ? 12  HIS   B CB  1 
ATOM   46   C CG  . HIS   A 1 6   ? -7.080  -11.102 -19.129 1.00 40.43 ? 12  HIS   B CG  1 
ATOM   47   N ND1 . HIS   A 1 6   ? -6.427  -11.993 -19.965 1.00 47.99 ? 12  HIS   B ND1 1 
ATOM   48   C CD2 . HIS   A 1 6   ? -7.552  -11.830 -18.092 1.00 43.46 ? 12  HIS   B CD2 1 
ATOM   49   C CE1 . HIS   A 1 6   ? -6.513  -13.210 -19.466 1.00 41.94 ? 12  HIS   B CE1 1 
ATOM   50   N NE2 . HIS   A 1 6   ? -7.197  -13.141 -18.318 1.00 48.68 ? 12  HIS   B NE2 1 
ATOM   51   N N   . HIS   A 1 7   ? -10.066 -10.570 -21.135 1.00 26.06 ? 13  HIS   B N   1 
ATOM   52   C CA  . HIS   A 1 7   ? -10.721 -11.119 -22.354 1.00 22.93 ? 13  HIS   B CA  1 
ATOM   53   C C   . HIS   A 1 7   ? -11.835 -10.193 -22.812 1.00 20.54 ? 13  HIS   B C   1 
ATOM   54   O O   . HIS   A 1 7   ? -12.645 -10.649 -23.613 1.00 17.78 ? 13  HIS   B O   1 
ATOM   55   C CB  . HIS   A 1 7   ? -11.269 -12.512 -22.093 1.00 22.23 ? 13  HIS   B CB  1 
ATOM   56   C CG  . HIS   A 1 7   ? -10.205 -13.474 -21.678 1.00 22.96 ? 13  HIS   B CG  1 
ATOM   57   N ND1 . HIS   A 1 7   ? -9.170  -13.815 -22.539 1.00 23.62 ? 13  HIS   B ND1 1 
ATOM   58   C CD2 . HIS   A 1 7   ? -10.056 -14.191 -20.550 1.00 24.09 ? 13  HIS   B CD2 1 
ATOM   59   C CE1 . HIS   A 1 7   ? -8.387  -14.675 -21.916 1.00 23.98 ? 13  HIS   B CE1 1 
ATOM   60   N NE2 . HIS   A 1 7   ? -8.889  -14.923 -20.698 1.00 25.80 ? 13  HIS   B NE2 1 
ATOM   61   N N   . MET   A 1 8   ? -11.897 -8.978  -22.291 1.00 20.57 ? 14  MET   B N   1 
ATOM   62   C CA  . MET   A 1 8   ? -12.933 -7.982  -22.650 1.00 22.71 ? 14  MET   B CA  1 
ATOM   63   C C   . MET   A 1 8   ? -13.028 -7.816  -24.169 1.00 22.42 ? 14  MET   B C   1 
ATOM   64   O O   . MET   A 1 8   ? -11.984 -7.673  -24.886 1.00 24.71 ? 14  MET   B O   1 
ATOM   65   C CB  . MET   A 1 8   ? -12.600 -6.627  -22.025 1.00 26.66 ? 14  MET   B CB  1 
ATOM   66   C CG  . MET   A 1 8   ? -13.618 -5.524  -22.317 1.00 33.89 ? 14  MET   B CG  1 
ATOM   67   S SD  . MET   A 1 8   ? -15.217 -5.720  -21.450 1.00 45.27 ? 14  MET   B SD  1 
ATOM   68   C CE  . MET   A 1 8   ? -14.771 -5.126  -19.823 1.00 33.35 ? 14  MET   B CE  1 
ATOM   69   N N   . VAL   A 1 9   ? -14.252 -7.793  -24.683 1.00 19.25 ? 15  VAL   B N   1 
ATOM   70   C CA  . VAL   A 1 9   ? -14.558 -7.587  -26.123 1.00 20.78 ? 15  VAL   B CA  1 
ATOM   71   C C   . VAL   A 1 9   ? -15.536 -6.407  -26.216 1.00 20.58 ? 15  VAL   B C   1 
ATOM   72   O O   . VAL   A 1 9   ? -16.390 -6.247  -25.325 1.00 20.08 ? 15  VAL   B O   1 
ATOM   73   C CB  . VAL   A 1 9   ? -15.081 -8.849  -26.839 1.00 21.85 ? 15  VAL   B CB  1 
ATOM   74   C CG1 . VAL   A 1 9   ? -13.973 -9.886  -26.965 1.00 24.80 ? 15  VAL   B CG1 1 
ATOM   75   C CG2 . VAL   A 1 9   ? -16.294 -9.470  -26.176 1.00 22.49 ? 15  VAL   B CG2 1 
ATOM   76   N N   . HIS   A 1 10  ? -15.465 -5.645  -27.299 1.00 20.68 ? 16  HIS   B N   1 
ATOM   77   C CA  . HIS   A 1 10  ? -16.346 -4.484  -27.545 1.00 20.01 ? 16  HIS   B CA  1 
ATOM   78   C C   . HIS   A 1 10  ? -17.557 -5.002  -28.312 1.00 20.15 ? 16  HIS   B C   1 
ATOM   79   O O   . HIS   A 1 10  ? -17.437 -5.402  -29.470 1.00 24.25 ? 16  HIS   B O   1 
ATOM   80   C CB  . HIS   A 1 10  ? -15.606 -3.406  -28.343 1.00 20.98 ? 16  HIS   B CB  1 
ATOM   81   C CG  . HIS   A 1 10  ? -16.369 -2.129  -28.524 1.00 25.80 ? 16  HIS   B CG  1 
ATOM   82   N ND1 . HIS   A 1 10  ? -16.473 -1.187  -27.526 1.00 30.00 ? 16  HIS   B ND1 1 
ATOM   83   C CD2 . HIS   A 1 10  ? -17.079 -1.654  -29.575 1.00 29.70 ? 16  HIS   B CD2 1 
ATOM   84   C CE1 . HIS   A 1 10  ? -17.194 -0.161  -27.957 1.00 26.38 ? 16  HIS   B CE1 1 
ATOM   85   N NE2 . HIS   A 1 10  ? -17.583 -0.428  -29.221 1.00 32.47 ? 16  HIS   B NE2 1 
ATOM   86   N N   . ILE   A 1 11  ? -18.680 -5.112  -27.619 1.00 16.01 ? 17  ILE   B N   1 
ATOM   87   C CA  . ILE   A 1 11  ? -19.930 -5.609  -28.229 1.00 17.03 ? 17  ILE   B CA  1 
ATOM   88   C C   . ILE   A 1 11  ? -20.740 -4.416  -28.767 1.00 16.10 ? 17  ILE   B C   1 
ATOM   89   O O   . ILE   A 1 11  ? -20.791 -3.394  -28.110 1.00 16.76 ? 17  ILE   B O   1 
ATOM   90   C CB  . ILE   A 1 11  ? -20.724 -6.415  -27.191 1.00 16.45 ? 17  ILE   B CB  1 
ATOM   91   C CG1 . ILE   A 1 11  ? -19.905 -7.620  -26.712 1.00 17.18 ? 17  ILE   B CG1 1 
ATOM   92   C CG2 . ILE   A 1 11  ? -22.076 -6.829  -27.752 1.00 16.13 ? 17  ILE   B CG2 1 
ATOM   93   C CD1 . ILE   A 1 11  ? -19.388 -8.559  -27.784 1.00 17.56 ? 17  ILE   B CD1 1 
ATOM   94   N N   . THR   A 1 12  ? -21.351 -4.611  -29.920 1.00 15.51 ? 18  THR   B N   1 
ATOM   95   C CA  . THR   A 1 12  ? -22.327 -3.617  -30.447 1.00 16.73 ? 18  THR   B CA  1 
ATOM   96   C C   . THR   A 1 12  ? -23.592 -4.373  -30.825 1.00 17.43 ? 18  THR   B C   1 
ATOM   97   O O   . THR   A 1 12  ? -23.542 -5.594  -31.124 1.00 17.77 ? 18  THR   B O   1 
ATOM   98   C CB  . THR   A 1 12  ? -21.745 -2.845  -31.634 1.00 18.82 ? 18  THR   B CB  1 
ATOM   99   O OG1 . THR   A 1 12  ? -21.393 -3.746  -32.665 1.00 20.75 ? 18  THR   B OG1 1 
ATOM   100  C CG2 . THR   A 1 12  ? -20.557 -1.970  -31.284 1.00 21.09 ? 18  THR   B CG2 1 
ATOM   101  N N   . LEU   A 1 13  ? -24.722 -3.663  -30.829 1.00 15.61 ? 19  LEU   B N   1 
ATOM   102  C CA  . LEU   A 1 13  ? -26.013 -4.315  -31.099 1.00 14.93 ? 19  LEU   B CA  1 
ATOM   103  C C   . LEU   A 1 13  ? -26.297 -4.315  -32.597 1.00 15.21 ? 19  LEU   B C   1 
ATOM   104  O O   . LEU   A 1 13  ? -25.970 -3.302  -33.284 1.00 16.87 ? 19  LEU   B O   1 
ATOM   105  C CB  . LEU   A 1 13  ? -27.075 -3.555  -30.331 1.00 15.75 ? 19  LEU   B CB  1 
ATOM   106  C CG  . LEU   A 1 13  ? -26.875 -3.621  -28.831 1.00 15.20 ? 19  LEU   B CG  1 
ATOM   107  C CD1 . LEU   A 1 13  ? -27.837 -2.693  -28.089 1.00 17.54 ? 19  LEU   B CD1 1 
ATOM   108  C CD2 . LEU   A 1 13  ? -26.984 -5.073  -28.351 1.00 17.50 ? 19  LEU   B CD2 1 
ATOM   109  N N   . ASP   A 1 14  ? -26.907 -5.346  -33.090 1.00 13.90 ? 20  ASP   B N   1 
ATOM   110  C CA  . ASP   A 1 14  ? -27.284 -5.510  -34.515 1.00 14.47 ? 20  ASP   B CA  1 
ATOM   111  C C   . ASP   A 1 14  ? -28.766 -5.129  -34.677 1.00 15.55 ? 20  ASP   B C   1 
ATOM   112  O O   . ASP   A 1 14  ? -29.650 -5.933  -34.392 1.00 14.73 ? 20  ASP   B O   1 
ATOM   113  C CB  . ASP   A 1 14  ? -27.004 -6.931  -35.011 1.00 14.46 ? 20  ASP   B CB  1 
ATOM   114  C CG  . ASP   A 1 14  ? -27.318 -7.210  -36.466 1.00 19.77 ? 20  ASP   B CG  1 
ATOM   115  O OD1 . ASP   A 1 14  ? -27.947 -6.333  -37.070 1.00 18.23 ? 20  ASP   B OD1 1 
ATOM   116  O OD2 . ASP   A 1 14  ? -27.009 -8.318  -36.972 1.00 18.92 ? 20  ASP   B OD2 1 
ATOM   117  N N   A ARG   A 1 15  ? -28.992 -3.893  -35.149 0.25 16.19 ? 21  ARG   B N   1 
ATOM   118  N N   B ARG   A 1 15  ? -29.008 -3.904  -35.158 0.25 16.54 ? 21  ARG   B N   1 
ATOM   119  C CA  A ARG   A 1 15  ? -30.323 -3.285  -35.447 0.25 17.26 ? 21  ARG   B CA  1 
ATOM   120  C CA  B ARG   A 1 15  ? -30.367 -3.322  -35.357 0.25 17.73 ? 21  ARG   B CA  1 
ATOM   121  C C   A ARG   A 1 15  ? -31.219 -4.253  -36.213 0.25 16.89 ? 21  ARG   B C   1 
ATOM   122  C C   B ARG   A 1 15  ? -31.234 -4.221  -36.243 0.25 17.14 ? 21  ARG   B C   1 
ATOM   123  O O   A ARG   A 1 15  ? -32.437 -4.291  -35.942 0.25 16.59 ? 21  ARG   B O   1 
ATOM   124  O O   B ARG   A 1 15  ? -32.463 -4.183  -36.083 0.25 16.39 ? 21  ARG   B O   1 
ATOM   125  C CB  A ARG   A 1 15  ? -30.167 -2.038  -36.330 0.25 18.57 ? 21  ARG   B CB  1 
ATOM   126  C CB  B ARG   A 1 15  ? -30.280 -1.931  -36.004 0.25 20.00 ? 21  ARG   B CB  1 
ATOM   127  C CG  A ARG   A 1 15  ? -29.215 -0.992  -35.775 0.25 20.89 ? 21  ARG   B CG  1 
ATOM   128  C CG  B ARG   A 1 15  ? -29.836 -0.819  -35.066 0.25 22.64 ? 21  ARG   B CG  1 
ATOM   129  C CD  A ARG   A 1 15  ? -29.212 0.286   -36.600 0.25 21.08 ? 21  ARG   B CD  1 
ATOM   130  C CD  B ARG   A 1 15  ? -28.414 -0.345  -35.327 0.25 26.09 ? 21  ARG   B CD  1 
ATOM   131  N NE  A ARG   A 1 15  ? -28.718 1.355   -35.757 0.25 21.13 ? 21  ARG   B NE  1 
ATOM   132  N NE  B ARG   A 1 15  ? -28.272 0.606   -36.433 0.25 28.57 ? 21  ARG   B NE  1 
ATOM   133  C CZ  A ARG   A 1 15  ? -29.447 1.916   -34.815 0.25 20.32 ? 21  ARG   B CZ  1 
ATOM   134  C CZ  B ARG   A 1 15  ? -27.814 0.311   -37.653 0.25 31.67 ? 21  ARG   B CZ  1 
ATOM   135  N NH1 A ARG   A 1 15  ? -30.699 1.532   -34.669 0.25 21.71 ? 21  ARG   B NH1 1 
ATOM   136  N NH1 B ARG   A 1 15  ? -27.446 -0.919  -37.963 0.25 34.23 ? 21  ARG   B NH1 1 
ATOM   137  N NH2 A ARG   A 1 15  ? -28.947 2.866   -34.054 0.25 21.36 ? 21  ARG   B NH2 1 
ATOM   138  N NH2 B ARG   A 1 15  ? -27.731 1.256   -38.571 0.25 32.85 ? 21  ARG   B NH2 1 
ATOM   139  N N   . ASN   A 1 16  ? -30.648 -4.983  -37.171 1.00 16.49 ? 22  ASN   B N   1 
ATOM   140  C CA  . ASN   A 1 16  ? -31.438 -5.807  -38.099 1.00 18.14 ? 22  ASN   B CA  1 
ATOM   141  C C   . ASN   A 1 16  ? -32.110 -6.966  -37.383 1.00 16.12 ? 22  ASN   B C   1 
ATOM   142  O O   . ASN   A 1 16  ? -33.122 -7.458  -37.864 1.00 15.99 ? 22  ASN   B O   1 
ATOM   143  C CB  . ASN   A 1 16  ? -30.583 -6.264  -39.280 1.00 21.77 ? 22  ASN   B CB  1 
ATOM   144  C CG  . ASN   A 1 16  ? -30.362 -5.122  -40.251 1.00 28.31 ? 22  ASN   B CG  1 
ATOM   145  O OD1 . ASN   A 1 16  ? -31.137 -4.161  -40.297 1.00 35.01 ? 22  ASN   B OD1 1 
ATOM   146  N ND2 . ASN   A 1 16  ? -29.273 -5.203  -40.988 1.00 39.79 ? 22  ASN   B ND2 1 
ATOM   147  N N   . THR   A 1 17  ? -31.595 -7.362  -36.203 1.00 13.92 ? 23  THR   B N   1 
ATOM   148  C CA  . THR   A 1 17  ? -32.138 -8.487  -35.432 1.00 13.85 ? 23  THR   B CA  1 
ATOM   149  C C   . THR   A 1 17  ? -33.169 -8.017  -34.410 1.00 12.69 ? 23  THR   B C   1 
ATOM   150  O O   . THR   A 1 17  ? -33.844 -8.854  -33.827 1.00 12.95 ? 23  THR   B O   1 
ATOM   151  C CB  . THR   A 1 17  ? -31.054 -9.281  -34.692 1.00 13.91 ? 23  THR   B CB  1 
ATOM   152  O OG1 . THR   A 1 17  ? -30.488 -8.475  -33.659 1.00 14.28 ? 23  THR   B OG1 1 
ATOM   153  C CG2 . THR   A 1 17  ? -30.021 -9.851  -35.660 1.00 14.69 ? 23  THR   B CG2 1 
ATOM   154  N N   . ALA   A 1 18  ? -33.252 -6.718  -34.185 1.00 13.01 ? 24  ALA   B N   1 
ATOM   155  C CA  . ALA   A 1 18  ? -34.073 -6.165  -33.078 1.00 12.86 ? 24  ALA   B CA  1 
ATOM   156  C C   . ALA   A 1 18  ? -35.560 -6.383  -33.338 1.00 12.94 ? 24  ALA   B C   1 
ATOM   157  O O   . ALA   A 1 18  ? -36.055 -6.085  -34.449 1.00 13.80 ? 24  ALA   B O   1 
ATOM   158  C CB  . ALA   A 1 18  ? -33.768 -4.712  -32.897 1.00 13.43 ? 24  ALA   B CB  1 
ATOM   159  N N   . ASN   A 1 19  ? -36.302 -6.698  -32.305 1.00 13.26 ? 25  ASN   B N   1 
ATOM   160  C CA  . ASN   A 1 19  ? -37.761 -6.490  -32.325 1.00 12.62 ? 25  ASN   B CA  1 
ATOM   161  C C   . ASN   A 1 19  ? -38.031 -5.051  -32.775 1.00 12.20 ? 25  ASN   B C   1 
ATOM   162  O O   . ASN   A 1 19  ? -37.326 -4.101  -32.421 1.00 12.40 ? 25  ASN   B O   1 
ATOM   163  C CB  . ASN   A 1 19  ? -38.274 -6.801  -30.934 1.00 13.92 ? 25  ASN   B CB  1 
ATOM   164  C CG  . ASN   A 1 19  ? -39.750 -6.534  -30.824 1.00 14.72 ? 25  ASN   B CG  1 
ATOM   165  O OD1 . ASN   A 1 19  ? -40.169 -5.429  -30.552 1.00 15.44 ? 25  ASN   B OD1 1 
ATOM   166  N ND2 . ASN   A 1 19  ? -40.532 -7.544  -31.044 1.00 18.62 ? 25  ASN   B ND2 1 
ATOM   167  N N   . SER   A 1 20  ? -39.121 -4.884  -33.525 1.00 12.53 ? 26  SER   B N   1 
ATOM   168  C CA  . SER   A 1 20  ? -39.463 -3.608  -34.175 1.00 12.74 ? 26  SER   B CA  1 
ATOM   169  C C   . SER   A 1 20  ? -39.863 -2.525  -33.182 1.00 12.71 ? 26  SER   B C   1 
ATOM   170  O O   . SER   A 1 20  ? -39.947 -1.375  -33.642 1.00 13.89 ? 26  SER   B O   1 
ATOM   171  C CB  . SER   A 1 20  ? -40.578 -3.826  -35.159 1.00 14.37 ? 26  SER   B CB  1 
ATOM   172  O OG  . SER   A 1 20  ? -41.727 -4.292  -34.476 1.00 17.91 ? 26  SER   B OG  1 
ATOM   173  N N   . TRP   A 1 21  ? -40.038 -2.799  -31.892 1.00 11.46 ? 27  TRP   B N   1 
ATOM   174  C CA  . TRP   A 1 21  ? -40.338 -1.760  -30.891 1.00 12.35 ? 27  TRP   B CA  1 
ATOM   175  C C   . TRP   A 1 21  ? -39.084 -1.256  -30.190 1.00 12.80 ? 27  TRP   B C   1 
ATOM   176  O O   . TRP   A 1 21  ? -39.174 -0.321  -29.398 1.00 13.39 ? 27  TRP   B O   1 
ATOM   177  C CB  . TRP   A 1 21  ? -41.343 -2.259  -29.880 1.00 13.19 ? 27  TRP   B CB  1 
ATOM   178  C CG  . TRP   A 1 21  ? -42.742 -2.387  -30.412 1.00 13.10 ? 27  TRP   B CG  1 
ATOM   179  C CD1 . TRP   A 1 21  ? -43.131 -2.904  -31.607 1.00 12.94 ? 27  TRP   B CD1 1 
ATOM   180  C CD2 . TRP   A 1 21  ? -43.916 -1.976  -29.721 1.00 15.11 ? 27  TRP   B CD2 1 
ATOM   181  N NE1 . TRP   A 1 21  ? -44.511 -2.844  -31.712 1.00 15.96 ? 27  TRP   B NE1 1 
ATOM   182  C CE2 . TRP   A 1 21  ? -44.991 -2.288  -30.574 1.00 14.47 ? 27  TRP   B CE2 1 
ATOM   183  C CE3 . TRP   A 1 21  ? -44.150 -1.386  -28.483 1.00 17.45 ? 27  TRP   B CE3 1 
ATOM   184  C CZ2 . TRP   A 1 21  ? -46.316 -2.029  -30.178 1.00 17.33 ? 27  TRP   B CZ2 1 
ATOM   185  C CZ3 . TRP   A 1 21  ? -45.460 -1.128  -28.107 1.00 19.97 ? 27  TRP   B CZ3 1 
ATOM   186  C CH2 . TRP   A 1 21  ? -46.516 -1.491  -28.927 1.00 20.32 ? 27  TRP   B CH2 1 
ATOM   187  N N   . LEU   A 1 22  ? -37.915 -1.853  -30.494 1.00 12.28 ? 28  LEU   B N   1 
ATOM   188  C CA  . LEU   A 1 22  ? -36.691 -1.432  -29.786 1.00 12.81 ? 28  LEU   B CA  1 
ATOM   189  C C   . LEU   A 1 22  ? -36.074 -0.176  -30.417 1.00 13.18 ? 28  LEU   B C   1 
ATOM   190  O O   . LEU   A 1 22  ? -36.089 -0.019  -31.622 1.00 13.55 ? 28  LEU   B O   1 
ATOM   191  C CB  . LEU   A 1 22  ? -35.687 -2.587  -29.770 1.00 12.31 ? 28  LEU   B CB  1 
ATOM   192  C CG  . LEU   A 1 22  ? -36.134 -3.850  -29.044 1.00 13.25 ? 28  LEU   B CG  1 
ATOM   193  C CD1 . LEU   A 1 22  ? -35.018 -4.888  -29.051 1.00 13.01 ? 28  LEU   B CD1 1 
ATOM   194  C CD2 . LEU   A 1 22  ? -36.554 -3.567  -27.643 1.00 14.10 ? 28  LEU   B CD2 1 
ATOM   195  N N   . ILE   A 1 23  ? -35.450 0.581   -29.549 1.00 12.83 ? 29  ILE   B N   1 
ATOM   196  C CA  . ILE   A 1 23  ? -34.656 1.784   -29.922 1.00 14.21 ? 29  ILE   B CA  1 
ATOM   197  C C   . ILE   A 1 23  ? -33.220 1.551   -29.478 1.00 14.94 ? 29  ILE   B C   1 
ATOM   198  O O   . ILE   A 1 23  ? -32.957 1.455   -28.253 1.00 14.68 ? 29  ILE   B O   1 
ATOM   199  C CB  . ILE   A 1 23  ? -35.222 3.035   -29.297 1.00 14.84 ? 29  ILE   B CB  1 
ATOM   200  C CG1 . ILE   A 1 23  ? -36.700 3.279   -29.696 1.00 14.80 ? 29  ILE   B CG1 1 
ATOM   201  C CG2 . ILE   A 1 23  ? -34.333 4.255   -29.633 1.00 16.03 ? 29  ILE   B CG2 1 
ATOM   202  C CD1 . ILE   A 1 23  ? -37.332 4.358   -28.939 1.00 16.87 ? 29  ILE   B CD1 1 
ATOM   203  N N   . ILE   A 1 24  ? -32.375 1.408   -30.480 1.00 16.75 ? 30  ILE   B N   1 
ATOM   204  C CA  . ILE   A 1 24  ? -30.906 1.214   -30.279 1.00 16.05 ? 30  ILE   B CA  1 
ATOM   205  C C   . ILE   A 1 24  ? -30.204 2.545   -30.460 1.00 18.82 ? 30  ILE   B C   1 
ATOM   206  O O   . ILE   A 1 24  ? -30.489 3.278   -31.472 1.00 19.16 ? 30  ILE   B O   1 
ATOM   207  C CB  . ILE   A 1 24  ? -30.393 0.155   -31.225 1.00 17.36 ? 30  ILE   B CB  1 
ATOM   208  C CG1 . ILE   A 1 24  ? -30.928 -1.212  -30.833 1.00 20.57 ? 30  ILE   B CG1 1 
ATOM   209  C CG2 . ILE   A 1 24  ? -28.863 0.124   -31.227 1.00 17.69 ? 30  ILE   B CG2 1 
ATOM   210  C CD1 . ILE   A 1 24  ? -30.708 -2.212  -31.793 1.00 23.26 ? 30  ILE   B CD1 1 
ATOM   211  N N   . SER   A 1 25  ? -29.326 2.918   -29.560 1.00 17.98 ? 31  SER   B N   1 
ATOM   212  C CA  . SER   A 1 25  ? -28.643 4.220   -29.621 1.00 18.21 ? 31  SER   B CA  1 
ATOM   213  C C   . SER   A 1 25  ? -27.722 4.292   -30.854 1.00 16.40 ? 31  SER   B C   1 
ATOM   214  O O   . SER   A 1 25  ? -27.341 3.301   -31.428 1.00 16.89 ? 31  SER   B O   1 
ATOM   215  C CB  . SER   A 1 25  ? -27.904 4.423   -28.346 1.00 18.95 ? 31  SER   B CB  1 
ATOM   216  O OG  . SER   A 1 25  ? -26.942 3.369   -28.219 1.00 18.63 ? 31  SER   B OG  1 
ATOM   217  N N   . LYS   A 1 26  ? -27.359 5.529   -31.212 1.00 20.72 ? 32  LYS   B N   1 
ATOM   218  C CA  . LYS   A 1 26  ? -26.446 5.785   -32.352 1.00 20.41 ? 32  LYS   B CA  1 
ATOM   219  C C   . LYS   A 1 26  ? -25.153 4.970   -32.231 1.00 18.34 ? 32  LYS   B C   1 
ATOM   220  O O   . LYS   A 1 26  ? -24.703 4.474   -33.265 1.00 21.27 ? 32  LYS   B O   1 
ATOM   221  C CB  . LYS   A 1 26  ? -26.103 7.281   -32.405 1.00 23.36 ? 32  LYS   B CB  1 
ATOM   222  C CG  . LYS   A 1 26  ? -25.182 7.662   -33.541 1.00 26.27 ? 32  LYS   B CG  1 
ATOM   223  C CD  . LYS   A 1 26  ? -25.331 9.121   -33.838 1.00 27.96 ? 32  LYS   B CD  1 
ATOM   224  C CE  . LYS   A 1 26  ? -25.115 9.935   -32.593 1.00 31.98 ? 32  LYS   B CE  1 
ATOM   225  N NZ  . LYS   A 1 26  ? -25.301 11.359  -32.904 1.00 34.53 ? 32  LYS   B NZ  1 
ATOM   226  N N   . ASP   A 1 27  ? -24.585 4.891   -31.028 1.00 19.43 ? 33  ASP   B N   1 
ATOM   227  C CA  . ASP   A 1 27  ? -23.308 4.143   -30.827 1.00 19.16 ? 33  ASP   B CA  1 
ATOM   228  C C   . ASP   A 1 27  ? -23.541 2.623   -30.796 1.00 17.32 ? 33  ASP   B C   1 
ATOM   229  O O   . ASP   A 1 27  ? -22.546 1.866   -30.693 1.00 17.55 ? 33  ASP   B O   1 
ATOM   230  C CB  . ASP   A 1 27  ? -22.557 4.631   -29.591 1.00 20.13 ? 33  ASP   B CB  1 
ATOM   231  C CG  . ASP   A 1 27  ? -23.228 4.388   -28.254 1.00 20.94 ? 33  ASP   B CG  1 
ATOM   232  O OD1 . ASP   A 1 27  ? -24.324 3.735   -28.240 1.00 20.43 ? 33  ASP   B OD1 1 
ATOM   233  O OD2 . ASP   A 1 27  ? -22.636 4.824   -27.245 1.00 23.58 ? 33  ASP   B OD2 1 
ATOM   234  N N   . ARG   A 1 28  ? -24.777 2.159   -30.903 1.00 15.68 ? 34  ARG   B N   1 
ATOM   235  C CA  . ARG   A 1 28  ? -25.135 0.721   -30.920 1.00 15.98 ? 34  ARG   B CA  1 
ATOM   236  C C   . ARG   A 1 28  ? -24.702 0.066   -29.587 1.00 13.48 ? 34  ARG   B C   1 
ATOM   237  O O   . ARG   A 1 28  ? -24.521 -1.175  -29.582 1.00 14.63 ? 34  ARG   B O   1 
ATOM   238  C CB  . ARG   A 1 28  ? -24.588 0.029   -32.165 1.00 19.99 ? 34  ARG   B CB  1 
ATOM   239  C CG  . ARG   A 1 28  ? -25.188 0.629   -33.435 1.00 24.63 ? 34  ARG   B CG  1 
ATOM   240  C CD  . ARG   A 1 28  ? -24.814 -0.029  -34.727 1.00 32.97 ? 34  ARG   B CD  1 
ATOM   241  N NE  . ARG   A 1 28  ? -23.387 -0.213  -34.892 1.00 39.85 ? 34  ARG   B NE  1 
ATOM   242  C CZ  . ARG   A 1 28  ? -22.720 -1.377  -34.800 1.00 52.61 ? 34  ARG   B CZ  1 
ATOM   243  N NH1 . ARG   A 1 28  ? -23.338 -2.532  -34.541 1.00 49.21 ? 34  ARG   B NH1 1 
ATOM   244  N NH2 . ARG   A 1 28  ? -21.406 -1.374  -34.988 1.00 57.43 ? 34  ARG   B NH2 1 
ATOM   245  N N   . ARG   A 1 29  ? -24.648 0.797   -28.511 1.00 13.00 ? 35  ARG   B N   1 
ATOM   246  C CA  . ARG   A 1 29  ? -24.254 0.263   -27.191 1.00 14.43 ? 35  ARG   B CA  1 
ATOM   247  C C   . ARG   A 1 29  ? -25.389 0.269   -26.168 1.00 14.47 ? 35  ARG   B C   1 
ATOM   248  O O   . ARG   A 1 29  ? -25.207 -0.274  -25.071 1.00 15.74 ? 35  ARG   B O   1 
ATOM   249  C CB  . ARG   A 1 29  ? -23.072 1.047   -26.614 1.00 15.24 ? 35  ARG   B CB  1 
ATOM   250  C CG  . ARG   A 1 29  ? -21.828 0.968   -27.487 1.00 17.99 ? 35  ARG   B CG  1 
ATOM   251  C CD  . ARG   A 1 29  ? -20.998 -0.247  -27.246 1.00 19.84 ? 35  ARG   B CD  1 
ATOM   252  N NE  . ARG   A 1 29  ? -20.212 -0.056  -26.024 1.00 20.91 ? 35  ARG   B NE  1 
ATOM   253  C CZ  . ARG   A 1 29  ? -19.499 -1.012  -25.415 1.00 20.20 ? 35  ARG   B CZ  1 
ATOM   254  N NH1 . ARG   A 1 29  ? -19.424 -2.200  -25.951 1.00 19.95 ? 35  ARG   B NH1 1 
ATOM   255  N NH2 . ARG   A 1 29  ? -18.860 -0.741  -24.298 1.00 21.10 ? 35  ARG   B NH2 1 
ATOM   256  N N   . GLN   A 1 30  ? -26.541 0.865   -26.462 1.00 13.95 ? 36  GLN   B N   1 
ATOM   257  C CA  . GLN   A 1 30  ? -27.705 0.871   -25.570 1.00 14.53 ? 36  GLN   B CA  1 
ATOM   258  C C   . GLN   A 1 30  ? -28.962 0.478   -26.336 1.00 13.77 ? 36  GLN   B C   1 
ATOM   259  O O   . GLN   A 1 30  ? -29.087 0.751   -27.528 1.00 14.31 ? 36  GLN   B O   1 
ATOM   260  C CB  . GLN   A 1 30  ? -27.909 2.267   -24.968 1.00 16.75 ? 36  GLN   B CB  1 
ATOM   261  C CG  . GLN   A 1 30  ? -26.656 2.910   -24.420 1.00 20.25 ? 36  GLN   B CG  1 
ATOM   262  C CD  . GLN   A 1 30  ? -27.014 4.139   -23.610 1.00 23.92 ? 36  GLN   B CD  1 
ATOM   263  O OE1 . GLN   A 1 30  ? -28.166 4.374   -23.211 1.00 25.27 ? 36  GLN   B OE1 1 
ATOM   264  N NE2 . GLN   A 1 30  ? -26.003 4.933   -23.358 1.00 28.49 ? 36  GLN   B NE2 1 
ATOM   265  N N   . VAL   A 1 31  ? -29.902 -0.117  -25.620 1.00 13.02 ? 37  VAL   B N   1 
ATOM   266  C CA  . VAL   A 1 31  ? -31.203 -0.498  -26.206 1.00 12.98 ? 37  VAL   B CA  1 
ATOM   267  C C   . VAL   A 1 31  ? -32.273 -0.319  -25.142 1.00 13.31 ? 37  VAL   B C   1 
ATOM   268  O O   . VAL   A 1 31  ? -32.079 -0.695  -23.995 1.00 12.72 ? 37  VAL   B O   1 
ATOM   269  C CB  . VAL   A 1 31  ? -31.143 -1.900  -26.810 1.00 11.90 ? 37  VAL   B CB  1 
ATOM   270  C CG1 . VAL   A 1 31  ? -30.735 -2.979  -25.796 1.00 12.74 ? 37  VAL   B CG1 1 
ATOM   271  C CG2 . VAL   A 1 31  ? -32.476 -2.271  -27.433 1.00 13.09 ? 37  VAL   B CG2 1 
ATOM   272  N N   . ARG   A 1 32  ? -33.416 0.198   -25.568 1.00 13.64 ? 38  ARG   B N   1 
ATOM   273  C CA  . ARG   A 1 32  ? -34.590 0.277   -24.698 1.00 13.71 ? 38  ARG   B CA  1 
ATOM   274  C C   . ARG   A 1 32  ? -35.855 -0.017  -25.508 1.00 13.24 ? 38  ARG   B C   1 
ATOM   275  O O   . ARG   A 1 32  ? -35.874 0.055   -26.733 1.00 12.64 ? 38  ARG   B O   1 
ATOM   276  C CB  . ARG   A 1 32  ? -34.693 1.646   -24.030 1.00 14.86 ? 38  ARG   B CB  1 
ATOM   277  C CG  . ARG   A 1 32  ? -34.971 2.769   -25.008 1.00 17.61 ? 38  ARG   B CG  1 
ATOM   278  C CD  . ARG   A 1 32  ? -34.882 4.094   -24.254 1.00 21.48 ? 38  ARG   B CD  1 
ATOM   279  N NE  . ARG   A 1 32  ? -35.142 5.199   -25.152 1.00 26.33 ? 38  ARG   B NE  1 
ATOM   280  C CZ  . ARG   A 1 32  ? -36.325 5.708   -25.424 1.00 22.99 ? 38  ARG   B CZ  1 
ATOM   281  N NH1 . ARG   A 1 32  ? -37.426 5.223   -24.888 1.00 26.04 ? 38  ARG   B NH1 1 
ATOM   282  N NH2 . ARG   A 1 32  ? -36.374 6.744   -26.271 1.00 28.64 ? 38  ARG   B NH2 1 
ATOM   283  N N   A MET   A 1 33  ? -36.900 -0.324  -24.740 0.39 13.02 ? 39  MET   B N   1 
ATOM   284  N N   B MET   A 1 33  ? -36.923 -0.393  -24.807 0.26 13.49 ? 39  MET   B N   1 
ATOM   285  C CA  A MET   A 1 33  ? -38.281 -0.511  -25.247 0.39 14.76 ? 39  MET   B CA  1 
ATOM   286  C CA  B MET   A 1 33  ? -38.220 -0.702  -25.468 0.26 14.43 ? 39  MET   B CA  1 
ATOM   287  C C   A MET   A 1 33  ? -38.854 0.850   -25.668 0.39 14.18 ? 39  MET   B C   1 
ATOM   288  C C   B MET   A 1 33  ? -39.009 0.599   -25.633 0.26 13.96 ? 39  MET   B C   1 
ATOM   289  O O   A MET   A 1 33  ? -38.834 1.826   -24.893 0.39 15.73 ? 39  MET   B O   1 
ATOM   290  O O   B MET   A 1 33  ? -39.349 1.192   -24.565 0.26 12.47 ? 39  MET   B O   1 
ATOM   291  C CB  A MET   A 1 33  ? -39.142 -1.142  -24.148 0.39 16.52 ? 39  MET   B CB  1 
ATOM   292  C CB  B MET   A 1 33  ? -39.046 -1.701  -24.649 0.26 16.42 ? 39  MET   B CB  1 
ATOM   293  C CG  A MET   A 1 33  ? -40.588 -1.445  -24.563 0.39 19.94 ? 39  MET   B CG  1 
ATOM   294  C CG  B MET   A 1 33  ? -40.496 -1.805  -25.114 0.26 19.52 ? 39  MET   B CG  1 
ATOM   295  S SD  A MET   A 1 33  ? -40.686 -2.431  -26.105 0.39 23.54 ? 39  MET   B SD  1 
ATOM   296  S SD  B MET   A 1 33  ? -41.067 -3.505  -24.961 0.26 21.69 ? 39  MET   B SD  1 
ATOM   297  C CE  A MET   A 1 33  ? -41.672 -3.824  -25.578 0.39 23.18 ? 39  MET   B CE  1 
ATOM   298  C CE  B MET   A 1 33  ? -42.232 -3.482  -26.313 0.26 19.19 ? 39  MET   B CE  1 
ATOM   299  N N   . GLY   A 1 34  ? -39.299 0.946   -26.905 1.00 13.74 ? 40  GLY   B N   1 
ATOM   300  C CA  . GLY   A 1 34  ? -40.118 2.114   -27.297 1.00 16.21 ? 40  GLY   B CA  1 
ATOM   301  C C   . GLY   A 1 34  ? -41.578 1.900   -26.898 1.00 16.87 ? 40  GLY   B C   1 
ATOM   302  O O   . GLY   A 1 34  ? -41.977 0.819   -26.459 1.00 18.44 ? 40  GLY   B O   1 
ATOM   303  N N   . ASP   A 1 35  ? -42.341 3.002   -26.917 1.00 22.80 ? 41  ASP   B N   1 
ATOM   304  C CA  . ASP   A 1 35  ? -43.779 2.929   -26.504 1.00 24.22 ? 41  ASP   B CA  1 
ATOM   305  C C   . ASP   A 1 35  ? -44.620 2.517   -27.736 1.00 22.15 ? 41  ASP   B C   1 
ATOM   306  O O   . ASP   A 1 35  ? -45.842 2.335   -27.554 1.00 21.62 ? 41  ASP   B O   1 
ATOM   307  C CB  . ASP   A 1 35  ? -44.208 4.208   -25.753 1.00 29.83 ? 41  ASP   B CB  1 
ATOM   308  C CG  . ASP   A 1 35  ? -43.738 4.312   -24.288 1.00 38.22 ? 41  ASP   B CG  1 
ATOM   309  O OD1 . ASP   A 1 35  ? -43.453 3.261   -23.661 1.00 40.46 ? 41  ASP   B OD1 1 
ATOM   310  O OD2 . ASP   A 1 35  ? -43.691 5.447   -23.752 1.00 36.86 ? 41  ASP   B OD2 1 
ATOM   311  N N   . THR   A 1 36  ? -44.023 2.238   -28.895 1.00 17.29 ? 42  THR   B N   1 
ATOM   312  C CA  . THR   A 1 36  ? -44.729 1.919   -30.181 1.00 17.23 ? 42  THR   B CA  1 
ATOM   313  C C   . THR   A 1 36  ? -43.794 1.236   -31.181 1.00 14.70 ? 42  THR   B C   1 
ATOM   314  O O   . THR   A 1 36  ? -42.502 1.216   -30.988 1.00 14.60 ? 42  THR   B O   1 
ATOM   315  C CB  . THR   A 1 36  ? -45.303 3.248   -30.659 1.00 18.77 ? 42  THR   B CB  1 
ATOM   316  O OG1 . THR   A 1 36  ? -46.178 2.973   -31.728 1.00 19.90 ? 42  THR   B OG1 1 
ATOM   317  C CG2 . THR   A 1 36  ? -44.224 4.221   -31.090 1.00 21.81 ? 42  THR   B CG2 1 
ATOM   318  N N   . HIS   A 1 37  ? -44.267 0.776   -32.327 1.00 15.29 ? 43  HIS   B N   1 
ATOM   319  C CA  . HIS   A 1 37  ? -43.438 0.314   -33.465 1.00 14.88 ? 43  HIS   B CA  1 
ATOM   320  C C   . HIS   A 1 37  ? -42.512 1.426   -33.916 1.00 15.94 ? 43  HIS   B C   1 
ATOM   321  O O   . HIS   A 1 37  ? -42.973 2.574   -34.089 1.00 16.75 ? 43  HIS   B O   1 
ATOM   322  C CB  . HIS   A 1 37  ? -44.387 -0.194  -34.561 1.00 13.89 ? 43  HIS   B CB  1 
ATOM   323  C CG  . HIS   A 1 37  ? -43.789 -0.842  -35.747 1.00 14.26 ? 43  HIS   B CG  1 
ATOM   324  N ND1 . HIS   A 1 37  ? -43.002 -0.177  -36.696 1.00 14.44 ? 43  HIS   B ND1 1 
ATOM   325  C CD2 . HIS   A 1 37  ? -43.888 -2.123  -36.202 1.00 13.79 ? 43  HIS   B CD2 1 
ATOM   326  C CE1 . HIS   A 1 37  ? -42.656 -1.013  -37.639 1.00 15.29 ? 43  HIS   B CE1 1 
ATOM   327  N NE2 . HIS   A 1 37  ? -43.187 -2.253  -37.353 1.00 15.10 ? 43  HIS   B NE2 1 
ATOM   328  N N   . GLN   A 1 38  ? -41.242 1.120   -34.173 1.00 14.52 ? 44  GLN   B N   1 
ATOM   329  C CA  . GLN   A 1 38  ? -40.211 2.137   -34.432 1.00 14.08 ? 44  GLN   B CA  1 
ATOM   330  C C   . GLN   A 1 38  ? -40.035 2.389   -35.933 1.00 15.00 ? 44  GLN   B C   1 
ATOM   331  O O   . GLN   A 1 38  ? -39.006 2.970   -36.335 1.00 16.60 ? 44  GLN   B O   1 
ATOM   332  C CB  . GLN   A 1 38  ? -38.906 1.737   -33.735 1.00 14.37 ? 44  GLN   B CB  1 
ATOM   333  C CG  . GLN   A 1 38  ? -39.058 1.798   -32.255 1.00 14.13 ? 44  GLN   B CG  1 
ATOM   334  C CD  . GLN   A 1 38  ? -39.528 3.120   -31.745 1.00 15.06 ? 44  GLN   B CD  1 
ATOM   335  O OE1 . GLN   A 1 38  ? -40.472 3.241   -30.957 1.00 18.43 ? 44  GLN   B OE1 1 
ATOM   336  N NE2 . GLN   A 1 38  ? -38.876 4.171   -32.180 1.00 14.16 ? 44  GLN   B NE2 1 
ATOM   337  N N   . ASN   A 1 39  ? -40.984 1.975   -36.756 1.00 14.82 ? 45  ASN   B N   1 
ATOM   338  C CA  . ASN   A 1 39  ? -41.075 2.428   -38.171 1.00 14.35 ? 45  ASN   B CA  1 
ATOM   339  C C   . ASN   A 1 39  ? -39.979 1.836   -39.025 1.00 15.86 ? 45  ASN   B C   1 
ATOM   340  O O   . ASN   A 1 39  ? -39.540 2.434   -40.014 1.00 17.25 ? 45  ASN   B O   1 
ATOM   341  C CB  . ASN   A 1 39  ? -41.125 3.968   -38.296 1.00 14.80 ? 45  ASN   B CB  1 
ATOM   342  C CG  . ASN   A 1 39  ? -41.768 4.405   -39.608 1.00 15.15 ? 45  ASN   B CG  1 
ATOM   343  O OD1 . ASN   A 1 39  ? -42.662 3.750   -40.143 1.00 13.66 ? 45  ASN   B OD1 1 
ATOM   344  N ND2 . ASN   A 1 39  ? -41.318 5.535   -40.165 1.00 14.52 ? 45  ASN   B ND2 1 
ATOM   345  N N   . VAL   A 1 40  ? -39.619 0.589   -38.743 1.00 16.86 ? 46  VAL   B N   1 
ATOM   346  C CA  . VAL   A 1 40  ? -38.649 -0.236  -39.514 1.00 18.19 ? 46  VAL   B CA  1 
ATOM   347  C C   . VAL   A 1 40  ? -39.411 -1.273  -40.356 1.00 16.88 ? 46  VAL   B C   1 
ATOM   348  O O   . VAL   A 1 40  ? -40.487 -1.705  -39.934 1.00 17.31 ? 46  VAL   B O   1 
ATOM   349  C CB  . VAL   A 1 40  ? -37.634 -0.935  -38.578 1.00 19.13 ? 46  VAL   B CB  1 
ATOM   350  C CG1 . VAL   A 1 40  ? -36.698 0.075   -37.922 1.00 22.69 ? 46  VAL   B CG1 1 
ATOM   351  C CG2 . VAL   A 1 40  ? -38.285 -1.804  -37.514 1.00 20.28 ? 46  VAL   B CG2 1 
ATOM   352  N N   . SER   A 1 41  ? -38.878 -1.698  -41.489 1.00 18.62 ? 47  SER   B N   1 
ATOM   353  C CA  . SER   A 1 41  ? -39.431 -2.837  -42.243 1.00 19.02 ? 47  SER   B CA  1 
ATOM   354  C C   . SER   A 1 41  ? -39.212 -4.144  -41.482 1.00 17.65 ? 47  SER   B C   1 
ATOM   355  O O   . SER   A 1 41  ? -38.244 -4.248  -40.687 1.00 17.31 ? 47  SER   B O   1 
ATOM   356  C CB  . SER   A 1 41  ? -38.833 -2.910  -43.626 1.00 21.46 ? 47  SER   B CB  1 
ATOM   357  O OG  . SER   A 1 41  ? -37.433 -3.066  -43.554 1.00 24.53 ? 47  SER   B OG  1 
ATOM   358  N N   . ASP   A 1 42  ? -40.044 -5.137  -41.718 1.00 18.05 ? 48  ASP   B N   1 
ATOM   359  C CA  . ASP   A 1 42  ? -39.883 -6.499  -41.157 1.00 17.09 ? 48  ASP   B CA  1 
ATOM   360  C C   . ASP   A 1 42  ? -38.816 -7.226  -41.965 1.00 19.53 ? 48  ASP   B C   1 
ATOM   361  O O   . ASP   A 1 42  ? -38.545 -6.870  -43.134 1.00 19.00 ? 48  ASP   B O   1 
ATOM   362  C CB  . ASP   A 1 42  ? -41.208 -7.255  -41.085 1.00 18.23 ? 48  ASP   B CB  1 
ATOM   363  C CG  . ASP   A 1 42  ? -41.250 -8.322  -39.989 1.00 22.44 ? 48  ASP   B CG  1 
ATOM   364  O OD1 . ASP   A 1 42  ? -40.278 -8.447  -39.217 1.00 18.01 ? 48  ASP   B OD1 1 
ATOM   365  O OD2 . ASP   A 1 42  ? -42.345 -8.914  -39.764 1.00 28.44 ? 48  ASP   B OD2 1 
ATOM   366  N N   . ASN   A 1 43  ? -38.211 -8.236  -41.335 1.00 17.49 ? 49  ASN   B N   1 
ATOM   367  C CA  . ASN   A 1 43  ? -37.220 -9.111  -41.992 1.00 18.70 ? 49  ASN   B CA  1 
ATOM   368  C C   . ASN   A 1 43  ? -37.162 -10.399 -41.188 1.00 18.21 ? 49  ASN   B C   1 
ATOM   369  O O   . ASN   A 1 43  ? -37.732 -10.482 -40.074 1.00 18.78 ? 49  ASN   B O   1 
ATOM   370  C CB  . ASN   A 1 43  ? -35.877 -8.436  -42.162 1.00 17.66 ? 49  ASN   B CB  1 
ATOM   371  C CG  . ASN   A 1 43  ? -35.131 -8.239  -40.858 1.00 18.17 ? 49  ASN   B CG  1 
ATOM   372  O OD1 . ASN   A 1 43  ? -34.976 -9.196  -40.109 1.00 19.56 ? 49  ASN   B OD1 1 
ATOM   373  N ND2 . ASN   A 1 43  ? -34.697 -7.068  -40.544 1.00 17.73 ? 49  ASN   B ND2 1 
ATOM   374  N N   . LYS   A 1 44  ? -36.537 -11.409 -41.758 1.00 19.11 ? 50  LYS   B N   1 
ATOM   375  C CA  . LYS   A 1 44  ? -36.566 -12.766 -41.179 1.00 19.83 ? 50  LYS   B CA  1 
ATOM   376  C C   . LYS   A 1 44  ? -35.665 -12.848 -39.929 1.00 17.51 ? 50  LYS   B C   1 
ATOM   377  O O   . LYS   A 1 44  ? -35.853 -13.810 -39.157 1.00 19.63 ? 50  LYS   B O   1 
ATOM   378  C CB  . LYS   A 1 44  ? -36.074 -13.789 -42.215 1.00 24.35 ? 50  LYS   B CB  1 
ATOM   379  C CG  . LYS   A 1 44  ? -34.620 -13.628 -42.590 1.00 29.64 ? 50  LYS   B CG  1 
ATOM   380  C CD  . LYS   A 1 44  ? -34.206 -14.390 -43.840 1.00 39.18 ? 50  LYS   B CD  1 
ATOM   381  C CE  . LYS   A 1 44  ? -32.713 -14.631 -43.878 1.00 42.78 ? 50  LYS   B CE  1 
ATOM   382  N NZ  . LYS   A 1 44  ? -32.397 -15.777 -44.762 1.00 47.99 ? 50  LYS   B NZ  1 
ATOM   383  N N   . GLU   A 1 45  ? -34.786 -11.882 -39.723 1.00 16.82 ? 51  GLU   B N   1 
ATOM   384  C CA  . GLU   A 1 45  ? -33.873 -11.875 -38.539 1.00 16.50 ? 51  GLU   B CA  1 
ATOM   385  C C   . GLU   A 1 45  ? -34.585 -11.343 -37.281 1.00 16.36 ? 51  GLU   B C   1 
ATOM   386  O O   . GLU   A 1 45  ? -34.126 -11.662 -36.155 1.00 17.15 ? 51  GLU   B O   1 
ATOM   387  C CB  . GLU   A 1 45  ? -32.640 -11.036 -38.794 1.00 19.03 ? 51  GLU   B CB  1 
ATOM   388  C CG  . GLU   A 1 45  ? -31.765 -11.450 -39.986 1.00 22.82 ? 51  GLU   B CG  1 
ATOM   389  C CD  . GLU   A 1 45  ? -30.607 -10.470 -40.165 1.00 30.17 ? 51  GLU   B CD  1 
ATOM   390  O OE1 . GLU   A 1 45  ? -30.617 -9.687  -41.161 1.00 37.11 ? 51  GLU   B OE1 1 
ATOM   391  O OE2 . GLU   A 1 45  ? -29.709 -10.428 -39.294 1.00 33.06 ? 51  GLU   B OE2 1 
ATOM   392  N N   . ARG   A 1 46  ? -35.609 -10.488 -37.398 1.00 14.99 ? 52  ARG   B N   1 
ATOM   393  C CA  . ARG   A 1 46  ? -36.142 -9.793  -36.201 1.00 14.81 ? 52  ARG   B CA  1 
ATOM   394  C C   . ARG   A 1 46  ? -36.850 -10.749 -35.265 1.00 14.30 ? 52  ARG   B C   1 
ATOM   395  O O   . ARG   A 1 46  ? -37.710 -11.558 -35.657 1.00 14.76 ? 52  ARG   B O   1 
ATOM   396  C CB  . ARG   A 1 46  ? -37.131 -8.708  -36.621 1.00 13.86 ? 52  ARG   B CB  1 
ATOM   397  C CG  . ARG   A 1 46  ? -36.541 -7.596  -37.446 1.00 15.17 ? 52  ARG   B CG  1 
ATOM   398  C CD  . ARG   A 1 46  ? -37.475 -6.360  -37.383 1.00 14.51 ? 52  ARG   B CD  1 
ATOM   399  N NE  . ARG   A 1 46  ? -36.963 -5.330  -38.254 1.00 16.59 ? 52  ARG   B NE  1 
ATOM   400  C CZ  . ARG   A 1 46  ? -35.860 -4.612  -38.029 1.00 15.60 ? 52  ARG   B CZ  1 
ATOM   401  N NH1 . ARG   A 1 46  ? -35.254 -4.627  -36.844 1.00 14.83 ? 52  ARG   B NH1 1 
ATOM   402  N NH2 . ARG   A 1 46  ? -35.370 -3.805  -38.977 1.00 17.46 ? 52  ARG   B NH2 1 
ATOM   403  N N   . PHE   A 1 47  ? -36.562 -10.662 -33.977 1.00 13.26 ? 53  PHE   B N   1 
ATOM   404  C CA  . PHE   A 1 47  ? -37.375 -11.380 -32.983 1.00 13.06 ? 53  PHE   B CA  1 
ATOM   405  C C   . PHE   A 1 47  ? -38.781 -10.770 -32.990 1.00 14.07 ? 53  PHE   B C   1 
ATOM   406  O O   . PHE   A 1 47  ? -38.930 -9.579  -32.719 1.00 14.81 ? 53  PHE   B O   1 
ATOM   407  C CB  . PHE   A 1 47  ? -36.772 -11.283 -31.586 1.00 12.50 ? 53  PHE   B CB  1 
ATOM   408  C CG  . PHE   A 1 47  ? -35.528 -12.129 -31.442 1.00 12.24 ? 53  PHE   B CG  1 
ATOM   409  C CD1 . PHE   A 1 47  ? -35.638 -13.481 -31.193 1.00 12.89 ? 53  PHE   B CD1 1 
ATOM   410  C CD2 . PHE   A 1 47  ? -34.255 -11.582 -31.519 1.00 12.98 ? 53  PHE   B CD2 1 
ATOM   411  C CE1 . PHE   A 1 47  ? -34.516 -14.288 -31.059 1.00 13.35 ? 53  PHE   B CE1 1 
ATOM   412  C CE2 . PHE   A 1 47  ? -33.124 -12.405 -31.362 1.00 13.11 ? 53  PHE   B CE2 1 
ATOM   413  C CZ  . PHE   A 1 47  ? -33.272 -13.766 -31.148 1.00 12.22 ? 53  PHE   B CZ  1 
ATOM   414  N N   . SER   A 1 48  ? -39.796 -11.556 -33.257 1.00 14.51 ? 54  SER   B N   1 
ATOM   415  C CA  . SER   A 1 48  ? -41.172 -11.020 -33.449 1.00 15.59 ? 54  SER   B CA  1 
ATOM   416  C C   . SER   A 1 48  ? -41.934 -10.918 -32.142 1.00 15.35 ? 54  SER   B C   1 
ATOM   417  O O   . SER   A 1 48  ? -42.726 -9.950  -31.994 1.00 17.75 ? 54  SER   B O   1 
ATOM   418  C CB  . SER   A 1 48  ? -41.929 -11.876 -34.442 1.00 16.51 ? 54  SER   B CB  1 
ATOM   419  O OG  . SER   A 1 48  ? -42.088 -13.205 -34.017 1.00 16.17 ? 54  SER   B OG  1 
ATOM   420  N N   . ASN   A 1 49  ? -41.809 -11.828 -31.217 1.00 14.56 ? 55  ASN   B N   1 
ATOM   421  C CA  . ASN   A 1 49  ? -42.758 -11.983 -30.082 1.00 15.57 ? 55  ASN   B CA  1 
ATOM   422  C C   . ASN   A 1 49  ? -42.253 -11.319 -28.805 1.00 14.38 ? 55  ASN   B C   1 
ATOM   423  O O   . ASN   A 1 49  ? -43.023 -11.169 -27.856 1.00 16.15 ? 55  ASN   B O   1 
ATOM   424  C CB  . ASN   A 1 49  ? -43.073 -13.438 -29.766 1.00 16.68 ? 55  ASN   B CB  1 
ATOM   425  C CG  . ASN   A 1 49  ? -43.962 -14.108 -30.808 1.00 19.56 ? 55  ASN   B CG  1 
ATOM   426  O OD1 . ASN   A 1 49  ? -43.793 -13.940 -32.015 1.00 21.59 ? 55  ASN   B OD1 1 
ATOM   427  N ND2 . ASN   A 1 49  ? -44.958 -14.830 -30.316 1.00 23.64 ? 55  ASN   B ND2 1 
ATOM   428  N N   . TYR   A 1 50  ? -40.949 -11.025 -28.700 1.00 13.56 ? 56  TYR   B N   1 
ATOM   429  C CA  . TYR   A 1 50  ? -40.337 -10.547 -27.436 1.00 12.52 ? 56  TYR   B CA  1 
ATOM   430  C C   . TYR   A 1 50  ? -39.381 -9.399  -27.758 1.00 11.89 ? 56  TYR   B C   1 
ATOM   431  O O   . TYR   A 1 50  ? -38.845 -9.313  -28.862 1.00 12.73 ? 56  TYR   B O   1 
ATOM   432  C CB  . TYR   A 1 50  ? -39.534 -11.688 -26.796 1.00 12.82 ? 56  TYR   B CB  1 
ATOM   433  C CG  . TYR   A 1 50  ? -40.260 -13.012 -26.716 1.00 13.98 ? 56  TYR   B CG  1 
ATOM   434  C CD1 . TYR   A 1 50  ? -41.261 -13.194 -25.783 1.00 16.00 ? 56  TYR   B CD1 1 
ATOM   435  C CD2 . TYR   A 1 50  ? -39.976 -14.092 -27.531 1.00 15.21 ? 56  TYR   B CD2 1 
ATOM   436  C CE1 . TYR   A 1 50  ? -41.928 -14.408 -25.653 1.00 17.39 ? 56  TYR   B CE1 1 
ATOM   437  C CE2 . TYR   A 1 50  ? -40.681 -15.280 -27.480 1.00 15.46 ? 56  TYR   B CE2 1 
ATOM   438  C CZ  . TYR   A 1 50  ? -41.642 -15.447 -26.510 1.00 17.02 ? 56  TYR   B CZ  1 
ATOM   439  O OH  . TYR   A 1 50  ? -42.246 -16.672 -26.455 1.00 18.40 ? 56  TYR   B OH  1 
ATOM   440  N N   . PRO   A 1 51  ? -39.077 -8.538  -26.759 1.00 11.86 ? 57  PRO   B N   1 
ATOM   441  C CA  . PRO   A 1 51  ? -38.203 -7.385  -26.981 1.00 11.98 ? 57  PRO   B CA  1 
ATOM   442  C C   . PRO   A 1 51  ? -36.689 -7.702  -26.951 1.00 11.34 ? 57  PRO   B C   1 
ATOM   443  O O   . PRO   A 1 51  ? -35.912 -7.175  -26.184 1.00 11.72 ? 57  PRO   B O   1 
ATOM   444  C CB  . PRO   A 1 51  ? -38.602 -6.393  -25.843 1.00 13.74 ? 57  PRO   B CB  1 
ATOM   445  C CG  . PRO   A 1 51  ? -39.817 -7.002  -25.187 1.00 14.19 ? 57  PRO   B CG  1 
ATOM   446  C CD  . PRO   A 1 51  ? -39.734 -8.465  -25.453 1.00 12.60 ? 57  PRO   B CD  1 
ATOM   447  N N   . MET   A 1 52  ? -36.313 -8.566  -27.900 1.00 11.25 ? 58  MET   B N   1 
ATOM   448  C CA  . MET   A 1 52  ? -34.970 -9.185  -27.997 1.00 10.45 ? 58  MET   B CA  1 
ATOM   449  C C   . MET   A 1 52  ? -34.177 -8.604  -29.155 1.00 10.78 ? 58  MET   B C   1 
ATOM   450  O O   . MET   A 1 52  ? -34.684 -8.105  -30.172 1.00 11.22 ? 58  MET   B O   1 
ATOM   451  C CB  . MET   A 1 52  ? -35.084 -10.689 -28.186 1.00 11.55 ? 58  MET   B CB  1 
ATOM   452  C CG  . MET   A 1 52  ? -35.642 -11.380 -26.992 1.00 11.53 ? 58  MET   B CG  1 
ATOM   453  S SD  . MET   A 1 52  ? -36.143 -13.082 -27.402 1.00 12.71 ? 58  MET   B SD  1 
ATOM   454  C CE  . MET   A 1 52  ? -36.749 -13.703 -25.838 1.00 13.67 ? 58  MET   B CE  1 
ATOM   455  N N   . VAL   A 1 53  ? -32.851 -8.661  -28.991 1.00 10.88 ? 59  VAL   B N   1 
ATOM   456  C CA  . VAL   A 1 53  ? -31.869 -8.178  -29.997 1.00 10.95 ? 59  VAL   B CA  1 
ATOM   457  C C   . VAL   A 1 53  ? -30.561 -8.956  -29.795 1.00 11.68 ? 59  VAL   B C   1 
ATOM   458  O O   . VAL   A 1 53  ? -30.268 -9.356  -28.656 1.00 12.09 ? 59  VAL   B O   1 
ATOM   459  C CB  . VAL   A 1 53  ? -31.689 -6.648  -29.941 1.00 11.86 ? 59  VAL   B CB  1 
ATOM   460  C CG1 . VAL   A 1 53  ? -31.150 -6.190  -28.608 1.00 12.34 ? 59  VAL   B CG1 1 
ATOM   461  C CG2 . VAL   A 1 53  ? -30.802 -6.153  -31.086 1.00 12.42 ? 59  VAL   B CG2 1 
ATOM   462  N N   . LEU   A 1 54  ? -29.811 -9.136  -30.860 1.00 11.30 ? 60  LEU   B N   1 
ATOM   463  C CA  . LEU   A 1 54  ? -28.481 -9.801  -30.786 1.00 11.27 ? 60  LEU   B CA  1 
ATOM   464  C C   . LEU   A 1 54  ? -27.354 -8.803  -30.901 1.00 12.22 ? 60  LEU   B C   1 
ATOM   465  O O   . LEU   A 1 54  ? -27.489 -7.727  -31.582 1.00 13.05 ? 60  LEU   B O   1 
ATOM   466  C CB  . LEU   A 1 54  ? -28.316 -10.833 -31.892 1.00 12.10 ? 60  LEU   B CB  1 
ATOM   467  C CG  . LEU   A 1 54  ? -29.383 -11.898 -31.924 1.00 12.42 ? 60  LEU   B CG  1 
ATOM   468  C CD1 . LEU   A 1 54  ? -29.132 -12.977 -32.971 1.00 14.79 ? 60  LEU   B CD1 1 
ATOM   469  C CD2 . LEU   A 1 54  ? -29.583 -12.566 -30.576 1.00 13.02 ? 60  LEU   B CD2 1 
ATOM   470  N N   . GLY   A 1 55  ? -26.194 -9.120  -30.336 1.00 12.21 ? 61  GLY   B N   1 
ATOM   471  C CA  . GLY   A 1 55  ? -24.934 -8.443  -30.709 1.00 12.38 ? 61  GLY   B CA  1 
ATOM   472  C C   . GLY   A 1 55  ? -24.535 -8.755  -32.147 1.00 12.58 ? 61  GLY   B C   1 
ATOM   473  O O   . GLY   A 1 55  ? -24.857 -9.820  -32.645 1.00 13.20 ? 61  GLY   B O   1 
ATOM   474  N N   . ALA   A 1 56  ? -23.773 -7.868  -32.755 1.00 14.06 ? 62  ALA   B N   1 
ATOM   475  C CA  . ALA   A 1 56  ? -23.273 -8.068  -34.130 1.00 15.75 ? 62  ALA   B CA  1 
ATOM   476  C C   . ALA   A 1 56  ? -22.166 -9.118  -34.158 1.00 16.40 ? 62  ALA   B C   1 
ATOM   477  O O   . ALA   A 1 56  ? -22.019 -9.814  -35.178 1.00 19.54 ? 62  ALA   B O   1 
ATOM   478  C CB  . ALA   A 1 56  ? -22.786 -6.753  -34.651 1.00 16.98 ? 62  ALA   B CB  1 
ATOM   479  N N   . GLN   A 1 57  ? -21.437 -9.211  -33.069 1.00 15.66 ? 63  GLN   B N   1 
ATOM   480  C CA  . GLN   A 1 57  ? -20.239 -10.090 -33.055 1.00 16.09 ? 63  GLN   B CA  1 
ATOM   481  C C   . GLN   A 1 57  ? -20.653 -11.566 -33.043 1.00 17.06 ? 63  GLN   B C   1 
ATOM   482  O O   . GLN   A 1 57  ? -21.687 -11.965 -32.424 1.00 17.00 ? 63  GLN   B O   1 
ATOM   483  C CB  . GLN   A 1 57  ? -19.373 -9.739  -31.842 1.00 17.92 ? 63  GLN   B CB  1 
ATOM   484  C CG  . GLN   A 1 57  ? -18.693 -8.382  -31.900 1.00 19.58 ? 63  GLN   B CG  1 
ATOM   485  C CD  . GLN   A 1 57  ? -19.650 -7.216  -31.788 1.00 18.78 ? 63  GLN   B CD  1 
ATOM   486  O OE1 . GLN   A 1 57  ? -20.611 -7.291  -31.035 1.00 18.42 ? 63  GLN   B OE1 1 
ATOM   487  N NE2 . GLN   A 1 57  ? -19.408 -6.128  -32.483 1.00 22.29 ? 63  GLN   B NE2 1 
ATOM   488  N N   . ARG   A 1 58  ? -19.901 -12.405 -33.750 1.00 18.14 ? 64  ARG   B N   1 
ATOM   489  C CA  . ARG   A 1 58  ? -20.049 -13.871 -33.765 1.00 17.92 ? 64  ARG   B CA  1 
ATOM   490  C C   . ARG   A 1 58  ? -18.791 -14.502 -33.193 1.00 16.63 ? 64  ARG   B C   1 
ATOM   491  O O   . ARG   A 1 58  ? -17.681 -14.043 -33.531 1.00 19.18 ? 64  ARG   B O   1 
ATOM   492  C CB  . ARG   A 1 58  ? -20.237 -14.451 -35.185 1.00 21.83 ? 64  ARG   B CB  1 
ATOM   493  C CG  . ARG   A 1 58  ? -21.619 -14.277 -35.819 1.00 29.16 ? 64  ARG   B CG  1 
ATOM   494  C CD  . ARG   A 1 58  ? -22.101 -12.848 -35.673 1.00 31.98 ? 64  ARG   B CD  1 
ATOM   495  N NE  . ARG   A 1 58  ? -22.943 -12.082 -36.599 1.00 34.71 ? 64  ARG   B NE  1 
ATOM   496  C CZ  . ARG   A 1 58  ? -23.663 -12.529 -37.621 1.00 32.78 ? 64  ARG   B CZ  1 
ATOM   497  N NH1 . ARG   A 1 58  ? -24.369 -11.655 -38.322 1.00 38.11 ? 64  ARG   B NH1 1 
ATOM   498  N NH2 . ARG   A 1 58  ? -23.680 -13.806 -37.954 1.00 33.15 ? 64  ARG   B NH2 1 
ATOM   499  N N   . PHE   A 1 59  ? -18.945 -15.439 -32.294 1.00 14.69 ? 65  PHE   B N   1 
ATOM   500  C CA  . PHE   A 1 59  ? -17.785 -16.108 -31.650 1.00 15.49 ? 65  PHE   B CA  1 
ATOM   501  C C   . PHE   A 1 59  ? -17.847 -17.602 -31.917 1.00 13.96 ? 65  PHE   B C   1 
ATOM   502  O O   . PHE   A 1 59  ? -18.859 -18.245 -31.679 1.00 14.35 ? 65  PHE   B O   1 
ATOM   503  C CB  . PHE   A 1 59  ? -17.842 -15.838 -30.134 1.00 16.91 ? 65  PHE   B CB  1 
ATOM   504  C CG  . PHE   A 1 59  ? -17.822 -14.362 -29.772 1.00 18.60 ? 65  PHE   B CG  1 
ATOM   505  C CD1 . PHE   A 1 59  ? -16.784 -13.563 -30.231 1.00 21.89 ? 65  PHE   B CD1 1 
ATOM   506  C CD2 . PHE   A 1 59  ? -18.825 -13.770 -29.037 1.00 26.49 ? 65  PHE   B CD2 1 
ATOM   507  C CE1 . PHE   A 1 59  ? -16.719 -12.206 -29.946 1.00 23.13 ? 65  PHE   B CE1 1 
ATOM   508  C CE2 . PHE   A 1 59  ? -18.753 -12.410 -28.735 1.00 21.01 ? 65  PHE   B CE2 1 
ATOM   509  C CZ  . PHE   A 1 59  ? -17.734 -11.638 -29.229 1.00 23.00 ? 65  PHE   B CZ  1 
ATOM   510  N N   A SER   A 1 60  ? -16.739 -18.178 -32.409 0.25 14.81 ? 66  SER   B N   1 
ATOM   511  N N   B SER   A 1 60  ? -16.740 -18.182 -32.405 0.25 14.87 ? 66  SER   B N   1 
ATOM   512  C CA  A SER   A 1 60  ? -16.626 -19.628 -32.712 0.25 15.44 ? 66  SER   B CA  1 
ATOM   513  C CA  B SER   A 1 60  ? -16.603 -19.635 -32.684 0.25 15.57 ? 66  SER   B CA  1 
ATOM   514  C C   A SER   A 1 60  ? -15.399 -20.253 -32.022 0.25 15.17 ? 66  SER   B C   1 
ATOM   515  C C   B SER   A 1 60  ? -15.322 -20.195 -32.064 0.25 15.42 ? 66  SER   B C   1 
ATOM   516  O O   A SER   A 1 60  ? -15.255 -21.495 -32.103 0.25 14.77 ? 66  SER   B O   1 
ATOM   517  O O   B SER   A 1 60  ? -14.903 -21.287 -32.471 0.25 14.52 ? 66  SER   B O   1 
ATOM   518  C CB  A SER   A 1 60  ? -16.654 -19.862 -34.213 0.25 15.65 ? 66  SER   B CB  1 
ATOM   519  C CB  B SER   A 1 60  ? -16.573 -19.889 -34.151 0.25 15.58 ? 66  SER   B CB  1 
ATOM   520  O OG  A SER   A 1 60  ? -17.997 -19.714 -34.710 0.25 16.54 ? 66  SER   B OG  1 
ATOM   521  O OG  B SER   A 1 60  ? -15.521 -19.146 -34.708 0.25 16.64 ? 66  SER   B OG  1 
ATOM   522  N N   A SER   A 1 61  ? -14.604 -19.459 -31.295 0.25 14.92 ? 67  SER   B N   1 
ATOM   523  N N   B SER   A 1 61  ? -14.709 -19.478 -31.132 0.25 16.07 ? 67  SER   B N   1 
ATOM   524  C CA  A SER   A 1 61  ? -13.421 -19.928 -30.528 0.25 15.65 ? 67  SER   B CA  1 
ATOM   525  C CA  B SER   A 1 61  ? -13.431 -19.895 -30.522 0.25 17.38 ? 67  SER   B CA  1 
ATOM   526  C C   A SER   A 1 61  ? -13.114 -18.948 -29.396 0.25 15.96 ? 67  SER   B C   1 
ATOM   527  C C   B SER   A 1 61  ? -13.022 -18.883 -29.458 0.25 16.81 ? 67  SER   B C   1 
ATOM   528  O O   A SER   A 1 61  ? -13.724 -17.876 -29.368 0.25 16.38 ? 67  SER   B O   1 
ATOM   529  O O   B SER   A 1 61  ? -13.446 -17.706 -29.562 0.25 16.49 ? 67  SER   B O   1 
ATOM   530  C CB  A SER   A 1 61  ? -12.222 -20.054 -31.436 0.25 15.73 ? 67  SER   B CB  1 
ATOM   531  C CB  B SER   A 1 61  ? -12.379 -20.008 -31.596 0.25 18.65 ? 67  SER   B CB  1 
ATOM   532  O OG  A SER   A 1 61  ? -11.789 -18.779 -31.875 0.25 15.36 ? 67  SER   B OG  1 
ATOM   533  O OG  B SER   A 1 61  ? -11.177 -20.523 -31.058 0.25 21.20 ? 67  SER   B OG  1 
ATOM   534  N N   . GLY   A 1 62  ? -12.186 -19.318 -28.515 1.00 17.75 ? 68  GLY   B N   1 
ATOM   535  C CA  . GLY   A 1 62  ? -11.568 -18.369 -27.585 1.00 18.85 ? 68  GLY   B CA  1 
ATOM   536  C C   . GLY   A 1 62  ? -12.417 -18.043 -26.370 1.00 15.34 ? 68  GLY   B C   1 
ATOM   537  O O   . GLY   A 1 62  ? -13.418 -18.729 -26.084 1.00 17.19 ? 68  GLY   B O   1 
ATOM   538  N N   . LYS   A 1 63  ? -11.915 -17.077 -25.637 1.00 15.35 ? 69  LYS   B N   1 
ATOM   539  C CA  . LYS   A 1 63  ? -12.492 -16.589 -24.381 1.00 15.32 ? 69  LYS   B CA  1 
ATOM   540  C C   . LYS   A 1 63  ? -12.921 -15.151 -24.639 1.00 15.40 ? 69  LYS   B C   1 
ATOM   541  O O   . LYS   A 1 63  ? -12.117 -14.339 -25.142 1.00 17.69 ? 69  LYS   B O   1 
ATOM   542  C CB  . LYS   A 1 63  ? -11.460 -16.725 -23.265 1.00 16.66 ? 69  LYS   B CB  1 
ATOM   543  C CG  . LYS   A 1 63  ? -11.098 -18.159 -22.896 1.00 17.16 ? 69  LYS   B CG  1 
ATOM   544  C CD  . LYS   A 1 63  ? -9.962  -18.229 -21.834 1.00 20.30 ? 69  LYS   B CD  1 
ATOM   545  C CE  . LYS   A 1 63  ? -9.597  -19.641 -21.436 1.00 24.02 ? 69  LYS   B CE  1 
ATOM   546  N NZ  . LYS   A 1 63  ? -8.490  -19.645 -20.444 1.00 27.57 ? 69  LYS   B NZ  1 
ATOM   547  N N   . MET   A 1 64  ? -14.134 -14.815 -24.211 1.00 14.42 ? 70  MET   B N   1 
ATOM   548  C CA  . MET   A 1 64  ? -14.745 -13.491 -24.409 1.00 14.20 ? 70  MET   B CA  1 
ATOM   549  C C   . MET   A 1 64  ? -15.408 -13.036 -23.118 1.00 13.84 ? 70  MET   B C   1 
ATOM   550  O O   . MET   A 1 64  ? -15.996 -13.867 -22.434 1.00 14.54 ? 70  MET   B O   1 
ATOM   551  C CB  . MET   A 1 64  ? -15.841 -13.555 -25.450 1.00 15.12 ? 70  MET   B CB  1 
ATOM   552  C CG  . MET   A 1 64  ? -15.391 -13.728 -26.881 1.00 16.13 ? 70  MET   B CG  1 
ATOM   553  S SD  . MET   A 1 64  ? -14.678 -15.322 -27.403 1.00 18.13 ? 70  MET   B SD  1 
ATOM   554  C CE  . MET   A 1 64  ? -15.903 -16.512 -26.944 1.00 18.32 ? 70  MET   B CE  1 
ATOM   555  N N   . TYR   A 1 65  ? -15.392 -11.754 -22.842 1.00 14.17 ? 71  TYR   B N   1 
ATOM   556  C CA  . TYR   A 1 65  ? -15.991 -11.170 -21.619 1.00 14.20 ? 71  TYR   B CA  1 
ATOM   557  C C   . TYR   A 1 65  ? -16.590 -9.831  -21.979 1.00 14.54 ? 71  TYR   B C   1 
ATOM   558  O O   . TYR   A 1 65  ? -15.958 -9.010  -22.705 1.00 15.11 ? 71  TYR   B O   1 
ATOM   559  C CB  . TYR   A 1 65  ? -14.939 -11.022 -20.518 1.00 15.05 ? 71  TYR   B CB  1 
ATOM   560  C CG  . TYR   A 1 65  ? -15.444 -10.390 -19.245 1.00 14.40 ? 71  TYR   B CG  1 
ATOM   561  C CD1 . TYR   A 1 65  ? -16.173 -11.143 -18.352 1.00 14.82 ? 71  TYR   B CD1 1 
ATOM   562  C CD2 . TYR   A 1 65  ? -15.280 -9.034  -18.973 1.00 14.98 ? 71  TYR   B CD2 1 
ATOM   563  C CE1 . TYR   A 1 65  ? -16.693 -10.601 -17.178 1.00 15.55 ? 71  TYR   B CE1 1 
ATOM   564  C CE2 . TYR   A 1 65  ? -15.791 -8.481  -17.808 1.00 14.95 ? 71  TYR   B CE2 1 
ATOM   565  C CZ  . TYR   A 1 65  ? -16.487 -9.252  -16.913 1.00 15.36 ? 71  TYR   B CZ  1 
ATOM   566  O OH  . TYR   A 1 65  ? -17.000 -8.694  -15.778 1.00 17.16 ? 71  TYR   B OH  1 
ATOM   567  N N   . TRP   A 1 66  ? -17.797 -9.580  -21.498 1.00 13.11 ? 72  TRP   B N   1 
ATOM   568  C CA  . TRP   A 1 66  ? -18.385 -8.227  -21.589 1.00 13.75 ? 72  TRP   B CA  1 
ATOM   569  C C   . TRP   A 1 66  ? -19.288 -7.974  -20.371 1.00 13.57 ? 72  TRP   B C   1 
ATOM   570  O O   . TRP   A 1 66  ? -19.638 -8.901  -19.648 1.00 13.97 ? 72  TRP   B O   1 
ATOM   571  C CB  . TRP   A 1 66  ? -19.114 -8.015  -22.942 1.00 13.20 ? 72  TRP   B CB  1 
ATOM   572  C CG  . TRP   A 1 66  ? -20.293 -8.890  -23.207 1.00 13.00 ? 72  TRP   B CG  1 
ATOM   573  C CD1 . TRP   A 1 66  ? -21.617 -8.599  -22.995 1.00 13.15 ? 72  TRP   B CD1 1 
ATOM   574  C CD2 . TRP   A 1 66  ? -20.290 -10.210 -23.753 1.00 13.50 ? 72  TRP   B CD2 1 
ATOM   575  N NE1 . TRP   A 1 66  ? -22.410 -9.638  -23.396 1.00 12.64 ? 72  TRP   B NE1 1 
ATOM   576  C CE2 . TRP   A 1 66  ? -21.619 -10.655 -23.839 1.00 13.41 ? 72  TRP   B CE2 1 
ATOM   577  C CE3 . TRP   A 1 66  ? -19.272 -11.080 -24.166 1.00 15.17 ? 72  TRP   B CE3 1 
ATOM   578  C CZ2 . TRP   A 1 66  ? -21.967 -11.892 -24.351 1.00 14.16 ? 72  TRP   B CZ2 1 
ATOM   579  C CZ3 . TRP   A 1 66  ? -19.601 -12.312 -24.680 1.00 17.72 ? 72  TRP   B CZ3 1 
ATOM   580  C CH2 . TRP   A 1 66  ? -20.928 -12.725 -24.741 1.00 15.52 ? 72  TRP   B CH2 1 
ATOM   581  N N   . GLU   A 1 67  ? -19.696 -6.705  -20.189 1.00 13.30 ? 73  GLU   B N   1 
ATOM   582  C CA  . GLU   A 1 67  ? -20.542 -6.255  -19.059 1.00 12.99 ? 73  GLU   B CA  1 
ATOM   583  C C   . GLU   A 1 67  ? -21.740 -5.466  -19.545 1.00 12.60 ? 73  GLU   B C   1 
ATOM   584  O O   . GLU   A 1 67  ? -21.652 -4.760  -20.532 1.00 13.49 ? 73  GLU   B O   1 
ATOM   585  C CB  . GLU   A 1 67  ? -19.728 -5.401  -18.088 1.00 15.17 ? 73  GLU   B CB  1 
ATOM   586  C CG  . GLU   A 1 67  ? -18.644 -6.224  -17.394 1.00 17.74 ? 73  GLU   B CG  1 
ATOM   587  C CD  . GLU   A 1 67  ? -17.775 -5.467  -16.419 1.00 20.08 ? 73  GLU   B CD  1 
ATOM   588  O OE1 . GLU   A 1 67  ? -17.902 -4.209  -16.387 1.00 24.96 ? 73  GLU   B OE1 1 
ATOM   589  O OE2 . GLU   A 1 67  ? -16.959 -6.132  -15.672 1.00 18.44 ? 73  GLU   B OE2 1 
ATOM   590  N N   . VAL   A 1 68  ? -22.839 -5.683  -18.858 1.00 12.86 ? 74  VAL   B N   1 
ATOM   591  C CA  . VAL   A 1 68  ? -24.121 -5.041  -19.194 1.00 12.61 ? 74  VAL   B CA  1 
ATOM   592  C C   . VAL   A 1 68  ? -24.683 -4.381  -17.953 1.00 12.05 ? 74  VAL   B C   1 
ATOM   593  O O   . VAL   A 1 68  ? -24.800 -5.003  -16.895 1.00 13.38 ? 74  VAL   B O   1 
ATOM   594  C CB  . VAL   A 1 68  ? -25.132 -6.049  -19.747 1.00 12.39 ? 74  VAL   B CB  1 
ATOM   595  C CG1 . VAL   A 1 68  ? -26.375 -5.318  -20.197 1.00 14.13 ? 74  VAL   B CG1 1 
ATOM   596  C CG2 . VAL   A 1 68  ? -24.510 -6.908  -20.837 1.00 13.33 ? 74  VAL   B CG2 1 
ATOM   597  N N   . ASP   A 1 69  ? -25.122 -3.126  -18.121 1.00 12.32 ? 75  ASP   B N   1 
ATOM   598  C CA  . ASP   A 1 69  ? -25.803 -2.334  -17.064 1.00 13.32 ? 75  ASP   B CA  1 
ATOM   599  C C   . ASP   A 1 69  ? -27.292 -2.608  -17.100 1.00 11.76 ? 75  ASP   B C   1 
ATOM   600  O O   . ASP   A 1 69  ? -27.903 -2.478  -18.215 1.00 12.87 ? 75  ASP   B O   1 
ATOM   601  C CB  . ASP   A 1 69  ? -25.511 -0.832  -17.242 1.00 15.21 ? 75  ASP   B CB  1 
ATOM   602  C CG  . ASP   A 1 69  ? -25.882 -0.004  -16.011 1.00 17.21 ? 75  ASP   B CG  1 
ATOM   603  O OD1 . ASP   A 1 69  ? -27.017 -0.001  -15.618 1.00 16.90 ? 75  ASP   B OD1 1 
ATOM   604  O OD2 . ASP   A 1 69  ? -24.959 0.417   -15.291 1.00 21.13 ? 75  ASP   B OD2 1 
ATOM   605  N N   . VAL   A 1 70  ? -27.847 -3.020  -15.957 1.00 12.03 ? 76  VAL   B N   1 
ATOM   606  C CA  . VAL   A 1 70  ? -29.297 -3.330  -15.798 1.00 12.81 ? 76  VAL   B CA  1 
ATOM   607  C C   . VAL   A 1 70  ? -29.971 -2.431  -14.742 1.00 13.84 ? 76  VAL   B C   1 
ATOM   608  O O   . VAL   A 1 70  ? -31.041 -2.781  -14.241 1.00 14.12 ? 76  VAL   B O   1 
ATOM   609  C CB  . VAL   A 1 70  ? -29.455 -4.836  -15.464 1.00 12.95 ? 76  VAL   B CB  1 
ATOM   610  C CG1 . VAL   A 1 70  ? -28.910 -5.777  -16.580 1.00 12.83 ? 76  VAL   B CG1 1 
ATOM   611  C CG2 . VAL   A 1 70  ? -28.814 -5.232  -14.154 1.00 13.02 ? 76  VAL   B CG2 1 
ATOM   612  N N   . THR   A 1 71  ? -29.337 -1.324  -14.400 1.00 14.10 ? 77  THR   B N   1 
ATOM   613  C CA  . THR   A 1 71  ? -29.833 -0.412  -13.357 1.00 15.91 ? 77  THR   B CA  1 
ATOM   614  C C   . THR   A 1 71  ? -31.319 -0.108  -13.563 1.00 14.83 ? 77  THR   B C   1 
ATOM   615  O O   . THR   A 1 71  ? -31.754 0.275   -14.651 1.00 14.80 ? 77  THR   B O   1 
ATOM   616  C CB  . THR   A 1 71  ? -29.019 0.873   -13.376 1.00 16.01 ? 77  THR   B CB  1 
ATOM   617  O OG1 . THR   A 1 71  ? -27.628 0.638   -13.119 1.00 18.51 ? 77  THR   B OG1 1 
ATOM   618  C CG2 . THR   A 1 71  ? -29.559 1.854   -12.353 1.00 18.60 ? 77  THR   B CG2 1 
ATOM   619  N N   . GLN   A 1 72  ? -32.030 -0.254  -12.462 1.00 16.91 ? 78  GLN   B N   1 
ATOM   620  C CA  . GLN   A 1 72  ? -33.457 0.076   -12.231 1.00 18.68 ? 78  GLN   B CA  1 
ATOM   621  C C   . GLN   A 1 72  ? -34.407 -0.694  -13.131 1.00 19.26 ? 78  GLN   B C   1 
ATOM   622  O O   . GLN   A 1 72  ? -35.623 -0.430  -13.076 1.00 23.18 ? 78  GLN   B O   1 
ATOM   623  C CB  . GLN   A 1 72  ? -33.681 1.582   -12.263 1.00 26.21 ? 78  GLN   B CB  1 
ATOM   624  C CG  . GLN   A 1 72  ? -33.513 2.230   -13.617 1.00 31.98 ? 78  GLN   B CG  1 
ATOM   625  C CD  . GLN   A 1 72  ? -34.641 3.187   -13.906 1.00 33.21 ? 78  GLN   B CD  1 
ATOM   626  O OE1 . GLN   A 1 72  ? -34.442 4.219   -14.538 1.00 35.12 ? 78  GLN   B OE1 1 
ATOM   627  N NE2 . GLN   A 1 72  ? -35.847 2.800   -13.505 1.00 36.11 ? 78  GLN   B NE2 1 
ATOM   628  N N   . LYS   A 1 73  ? -33.978 -1.752  -13.799 1.00 14.74 ? 79  LYS   B N   1 
ATOM   629  C CA  . LYS   A 1 73  ? -34.933 -2.614  -14.516 1.00 13.85 ? 79  LYS   B CA  1 
ATOM   630  C C   . LYS   A 1 73  ? -35.614 -3.623  -13.605 1.00 12.63 ? 79  LYS   B C   1 
ATOM   631  O O   . LYS   A 1 73  ? -34.975 -4.173  -12.672 1.00 14.40 ? 79  LYS   B O   1 
ATOM   632  C CB  . LYS   A 1 73  ? -34.213 -3.297  -15.671 1.00 13.70 ? 79  LYS   B CB  1 
ATOM   633  C CG  . LYS   A 1 73  ? -33.771 -2.297  -16.757 1.00 13.58 ? 79  LYS   B CG  1 
ATOM   634  C CD  . LYS   A 1 73  ? -33.266 -2.939  -18.041 1.00 14.01 ? 79  LYS   B CD  1 
ATOM   635  C CE  . LYS   A 1 73  ? -34.332 -3.707  -18.812 1.00 13.39 ? 79  LYS   B CE  1 
ATOM   636  N NZ  . LYS   A 1 73  ? -35.521 -2.858  -19.131 1.00 12.02 ? 79  LYS   B NZ  1 
ATOM   637  N N   . GLU   A 1 74  ? -36.854 -3.945  -13.930 1.00 12.06 ? 80  GLU   B N   1 
ATOM   638  C CA  . GLU   A 1 74  ? -37.660 -4.964  -13.254 1.00 11.84 ? 80  GLU   B CA  1 
ATOM   639  C C   . GLU   A 1 74  ? -37.582 -6.319  -13.954 1.00 12.27 ? 80  GLU   B C   1 
ATOM   640  O O   . GLU   A 1 74  ? -37.946 -7.334  -13.370 1.00 13.25 ? 80  GLU   B O   1 
ATOM   641  C CB  . GLU   A 1 74  ? -39.140 -4.538  -13.235 1.00 13.19 ? 80  GLU   B CB  1 
ATOM   642  C CG  . GLU   A 1 74  ? -39.450 -3.300  -12.415 1.00 14.66 ? 80  GLU   B CG  1 
ATOM   643  C CD  . GLU   A 1 74  ? -40.907 -2.870  -12.554 1.00 14.88 ? 80  GLU   B CD  1 
ATOM   644  O OE1 . GLU   A 1 74  ? -41.304 -2.036  -11.726 1.00 18.25 ? 80  GLU   B OE1 1 
ATOM   645  O OE2 . GLU   A 1 74  ? -41.614 -3.396  -13.438 1.00 16.08 ? 80  GLU   B OE2 1 
ATOM   646  N N   . ALA   A 1 75  ? -37.229 -6.356  -15.238 1.00 12.00 ? 81  ALA   B N   1 
ATOM   647  C CA  . ALA   A 1 75  ? -37.232 -7.607  -15.992 1.00 11.28 ? 81  ALA   B CA  1 
ATOM   648  C C   . ALA   A 1 75  ? -36.257 -7.478  -17.152 1.00 12.97 ? 81  ALA   B C   1 
ATOM   649  O O   . ALA   A 1 75  ? -36.218 -6.428  -17.821 1.00 12.66 ? 81  ALA   B O   1 
ATOM   650  C CB  . ALA   A 1 75  ? -38.617 -7.922  -16.498 1.00 12.57 ? 81  ALA   B CB  1 
ATOM   651  N N   . TRP   A 1 76  ? -35.551 -8.565  -17.444 1.00 11.19 ? 82  TRP   B N   1 
ATOM   652  C CA  . TRP   A 1 76  ? -34.564 -8.640  -18.563 1.00 11.06 ? 82  TRP   B CA  1 
ATOM   653  C C   . TRP   A 1 76  ? -34.070 -10.063 -18.660 1.00 11.27 ? 82  TRP   B C   1 
ATOM   654  O O   . TRP   A 1 76  ? -34.155 -10.816 -17.681 1.00 11.88 ? 82  TRP   B O   1 
ATOM   655  C CB  . TRP   A 1 76  ? -33.376 -7.685  -18.373 1.00 11.49 ? 82  TRP   B CB  1 
ATOM   656  C CG  . TRP   A 1 76  ? -32.731 -7.702  -17.031 1.00 11.46 ? 82  TRP   B CG  1 
ATOM   657  C CD1 . TRP   A 1 76  ? -32.950 -6.853  -15.995 1.00 12.73 ? 82  TRP   B CD1 1 
ATOM   658  C CD2 . TRP   A 1 76  ? -31.752 -8.644  -16.504 1.00 12.15 ? 82  TRP   B CD2 1 
ATOM   659  N NE1 . TRP   A 1 76  ? -32.172 -7.136  -14.916 1.00 12.48 ? 82  TRP   B NE1 1 
ATOM   660  C CE2 . TRP   A 1 76  ? -31.460 -8.296  -15.179 1.00 12.77 ? 82  TRP   B CE2 1 
ATOM   661  C CE3 . TRP   A 1 76  ? -31.128 -9.808  -17.014 1.00 12.38 ? 82  TRP   B CE3 1 
ATOM   662  C CZ2 . TRP   A 1 76  ? -30.517 -8.938  -14.385 1.00 12.46 ? 82  TRP   B CZ2 1 
ATOM   663  C CZ3 . TRP   A 1 76  ? -30.230 -10.496 -16.227 1.00 12.89 ? 82  TRP   B CZ3 1 
ATOM   664  C CH2 . TRP   A 1 76  ? -29.958 -10.067 -14.914 1.00 13.19 ? 82  TRP   B CH2 1 
ATOM   665  N N   . ASP   A 1 77  ? -33.534 -10.389 -19.821 1.00 10.72 ? 83  ASP   B N   1 
ATOM   666  C CA  . ASP   A 1 77  ? -32.786 -11.653 -20.032 1.00 11.45 ? 83  ASP   B CA  1 
ATOM   667  C C   . ASP   A 1 77  ? -31.419 -11.265 -20.603 1.00 11.40 ? 83  ASP   B C   1 
ATOM   668  O O   . ASP   A 1 77  ? -31.370 -10.381 -21.469 1.00 11.31 ? 83  ASP   B O   1 
ATOM   669  C CB  . ASP   A 1 77  ? -33.447 -12.633 -20.997 1.00 12.80 ? 83  ASP   B CB  1 
ATOM   670  C CG  . ASP   A 1 77  ? -34.927 -12.872 -20.866 1.00 14.29 ? 83  ASP   B CG  1 
ATOM   671  O OD1 . ASP   A 1 77  ? -35.363 -12.905 -19.752 1.00 18.00 ? 83  ASP   B OD1 1 
ATOM   672  O OD2 . ASP   A 1 77  ? -35.604 -13.043 -21.921 1.00 16.63 ? 83  ASP   B OD2 1 
ATOM   673  N N   . LEU   A 1 78  ? -30.353 -11.968 -20.250 1.00 10.43 ? 84  LEU   B N   1 
ATOM   674  C CA  . LEU   A 1 78  ? -28.996 -11.715 -20.773 1.00 10.61 ? 84  LEU   B CA  1 
ATOM   675  C C   . LEU   A 1 78  ? -28.286 -13.049 -20.966 1.00 10.28 ? 84  LEU   B C   1 
ATOM   676  O O   . LEU   A 1 78  ? -28.394 -13.963 -20.124 1.00 10.63 ? 84  LEU   B O   1 
ATOM   677  C CB  . LEU   A 1 78  ? -28.153 -10.876 -19.821 1.00 10.95 ? 84  LEU   B CB  1 
ATOM   678  C CG  . LEU   A 1 78  ? -28.530 -9.407  -19.687 1.00 12.55 ? 84  LEU   B CG  1 
ATOM   679  C CD1 . LEU   A 1 78  ? -27.697 -8.771  -18.579 1.00 13.49 ? 84  LEU   B CD1 1 
ATOM   680  C CD2 . LEU   A 1 78  ? -28.328 -8.702  -21.007 1.00 13.06 ? 84  LEU   B CD2 1 
ATOM   681  N N   . GLY   A 1 79  ? -27.439 -13.095 -21.997 1.00 9.77  ? 85  GLY   B N   1 
ATOM   682  C CA  . GLY   A 1 79  ? -26.485 -14.215 -22.118 1.00 10.43 ? 85  GLY   B CA  1 
ATOM   683  C C   . GLY   A 1 79  ? -25.951 -14.272 -23.534 1.00 9.75  ? 85  GLY   B C   1 
ATOM   684  O O   . GLY   A 1 79  ? -25.547 -13.261 -24.120 1.00 10.90 ? 85  GLY   B O   1 
ATOM   685  N N   A VAL   A 1 80  ? -25.876 -15.502 -24.044 0.25 10.03 ? 86  VAL   B N   1 
ATOM   686  N N   B VAL   A 1 80  ? -25.950 -15.472 -24.086 0.25 10.80 ? 86  VAL   B N   1 
ATOM   687  C CA  A VAL   A 1 80  ? -25.491 -15.800 -25.451 0.25 10.05 ? 86  VAL   B CA  1 
ATOM   688  C CA  B VAL   A 1 80  ? -25.382 -15.738 -25.430 0.25 11.28 ? 86  VAL   B CA  1 
ATOM   689  C C   A VAL   A 1 80  ? -26.490 -16.766 -26.076 0.25 10.47 ? 86  VAL   B C   1 
ATOM   690  C C   B VAL   A 1 80  ? -26.277 -16.819 -26.059 0.25 11.45 ? 86  VAL   B C   1 
ATOM   691  O O   A VAL   A 1 80  ? -27.225 -17.491 -25.388 0.25 10.87 ? 86  VAL   B O   1 
ATOM   692  O O   B VAL   A 1 80  ? -26.843 -17.603 -25.294 0.25 12.20 ? 86  VAL   B O   1 
ATOM   693  C CB  A VAL   A 1 80  ? -24.079 -16.400 -25.593 0.25 10.12 ? 86  VAL   B CB  1 
ATOM   694  C CB  B VAL   A 1 80  ? -23.895 -16.121 -25.258 0.25 12.35 ? 86  VAL   B CB  1 
ATOM   695  C CG1 A VAL   A 1 80  ? -23.031 -15.374 -25.238 0.25 9.50  ? 86  VAL   B CG1 1 
ATOM   696  C CG1 B VAL   A 1 80  ? -23.725 -17.474 -24.584 0.25 12.37 ? 86  VAL   B CG1 1 
ATOM   697  C CG2 A VAL   A 1 80  ? -23.888 -17.667 -24.776 0.25 10.30 ? 86  VAL   B CG2 1 
ATOM   698  C CG2 B VAL   A 1 80  ? -23.121 -16.047 -26.558 0.25 13.38 ? 86  VAL   B CG2 1 
ATOM   699  N N   . CYS   A 1 81  ? -26.443 -16.835 -27.391 1.00 10.87 ? 87  CYS   B N   1 
ATOM   700  C CA  . CYS   A 1 81  ? -27.261 -17.829 -28.072 1.00 11.73 ? 87  CYS   B CA  1 
ATOM   701  C C   . CYS   A 1 81  ? -26.603 -18.230 -29.380 1.00 11.80 ? 87  CYS   B C   1 
ATOM   702  O O   . CYS   A 1 81  ? -25.707 -17.521 -29.904 1.00 11.66 ? 87  CYS   B O   1 
ATOM   703  C CB  . CYS   A 1 81  ? -28.664 -17.291 -28.366 1.00 13.12 ? 87  CYS   B CB  1 
ATOM   704  S SG  . CYS   A 1 81  ? -28.750 -15.873 -29.486 1.00 13.16 ? 87  CYS   B SG  1 
ATOM   705  N N   A ARG   A 1 82  ? -27.040 -19.358 -29.908 0.25 12.27 ? 88  ARG   B N   1 
ATOM   706  N N   B ARG   A 1 82  ? -27.014 -19.377 -29.903 0.25 11.72 ? 88  ARG   B N   1 
ATOM   707  C CA  A ARG   A 1 82  ? -26.612 -19.756 -31.267 0.25 12.83 ? 88  ARG   B CA  1 
ATOM   708  C CA  B ARG   A 1 82  ? -26.553 -19.833 -31.240 0.25 11.92 ? 88  ARG   B CA  1 
ATOM   709  C C   A ARG   A 1 82  ? -27.011 -18.697 -32.288 0.25 12.52 ? 88  ARG   B C   1 
ATOM   710  C C   B ARG   A 1 82  ? -27.064 -18.870 -32.329 0.25 12.11 ? 88  ARG   B C   1 
ATOM   711  O O   A ARG   A 1 82  ? -28.047 -18.046 -32.164 0.25 11.95 ? 88  ARG   B O   1 
ATOM   712  O O   B ARG   A 1 82  ? -28.254 -18.438 -32.254 0.25 11.85 ? 88  ARG   B O   1 
ATOM   713  C CB  A ARG   A 1 82  ? -27.277 -21.066 -31.663 0.25 13.98 ? 88  ARG   B CB  1 
ATOM   714  C CB  B ARG   A 1 82  ? -27.056 -21.260 -31.475 0.25 12.36 ? 88  ARG   B CB  1 
ATOM   715  C CG  A ARG   A 1 82  ? -26.833 -22.197 -30.763 0.25 15.00 ? 88  ARG   B CG  1 
ATOM   716  C CG  B ARG   A 1 82  ? -26.373 -21.976 -32.632 0.25 11.99 ? 88  ARG   B CG  1 
ATOM   717  C CD  A ARG   A 1 82  ? -27.370 -23.516 -31.248 0.25 16.62 ? 88  ARG   B CD  1 
ATOM   718  C CD  B ARG   A 1 82  ? -26.936 -23.358 -32.879 0.25 12.19 ? 88  ARG   B CD  1 
ATOM   719  N NE  A ARG   A 1 82  ? -27.004 -24.568 -30.309 0.25 16.36 ? 88  ARG   B NE  1 
ATOM   720  N NE  B ARG   A 1 82  ? -26.798 -24.168 -31.689 0.25 11.83 ? 88  ARG   B NE  1 
ATOM   721  C CZ  A ARG   A 1 82  ? -27.818 -25.535 -29.943 0.25 16.72 ? 88  ARG   B CZ  1 
ATOM   722  C CZ  B ARG   A 1 82  ? -27.807 -24.760 -31.042 0.25 12.22 ? 88  ARG   B CZ  1 
ATOM   723  N NH1 A ARG   A 1 82  ? -29.046 -25.567 -30.419 0.25 16.40 ? 88  ARG   B NH1 1 
ATOM   724  N NH1 B ARG   A 1 82  ? -29.033 -24.704 -31.508 0.25 13.65 ? 88  ARG   B NH1 1 
ATOM   725  N NH2 A ARG   A 1 82  ? -27.402 -26.462 -29.101 0.25 18.33 ? 88  ARG   B NH2 1 
ATOM   726  N NH2 B ARG   A 1 82  ? -27.574 -25.417 -29.925 0.25 12.14 ? 88  ARG   B NH2 1 
ATOM   727  N N   . ASP   A 1 83  ? -26.231 -18.570 -33.341 1.00 13.02 ? 89  ASP   B N   1 
ATOM   728  C CA  . ASP   A 1 83  ? -26.631 -17.663 -34.436 1.00 14.62 ? 89  ASP   B CA  1 
ATOM   729  C C   . ASP   A 1 83  ? -27.936 -18.164 -35.036 1.00 15.12 ? 89  ASP   B C   1 
ATOM   730  O O   . ASP   A 1 83  ? -28.660 -17.295 -35.576 1.00 18.76 ? 89  ASP   B O   1 
ATOM   731  C CB  . ASP   A 1 83  ? -25.511 -17.592 -35.480 1.00 16.17 ? 89  ASP   B CB  1 
ATOM   732  C CG  . ASP   A 1 83  ? -25.124 -18.863 -36.174 1.00 18.87 ? 89  ASP   B CG  1 
ATOM   733  O OD1 . ASP   A 1 83  ? -25.590 -19.959 -35.759 1.00 21.74 ? 89  ASP   B OD1 1 
ATOM   734  O OD2 . ASP   A 1 83  ? -24.328 -18.729 -37.159 1.00 21.89 ? 89  ASP   B OD2 1 
ATOM   735  N N   . SER   A 1 84  ? -28.247 -19.454 -35.021 1.00 14.11 ? 90  SER   B N   1 
ATOM   736  C CA  . SER   A 1 84  ? -29.414 -20.014 -35.734 1.00 16.10 ? 90  SER   B CA  1 
ATOM   737  C C   . SER   A 1 84  ? -30.660 -20.184 -34.854 1.00 14.83 ? 90  SER   B C   1 
ATOM   738  O O   . SER   A 1 84  ? -31.575 -20.901 -35.226 1.00 15.83 ? 90  SER   B O   1 
ATOM   739  C CB  . SER   A 1 84  ? -29.008 -21.313 -36.352 1.00 18.72 ? 90  SER   B CB  1 
ATOM   740  O OG  . SER   A 1 84  ? -28.545 -22.181 -35.399 1.00 19.04 ? 90  SER   B OG  1 
ATOM   741  N N   . VAL   A 1 85  ? -30.717 -19.539 -33.684 1.00 13.68 ? 91  VAL   B N   1 
ATOM   742  C CA  . VAL   A 1 85  ? -31.952 -19.629 -32.881 1.00 13.60 ? 91  VAL   B CA  1 
ATOM   743  C C   . VAL   A 1 85  ? -33.158 -19.115 -33.680 1.00 13.61 ? 91  VAL   B C   1 
ATOM   744  O O   . VAL   A 1 85  ? -33.071 -18.187 -34.493 1.00 14.41 ? 91  VAL   B O   1 
ATOM   745  C CB  . VAL   A 1 85  ? -31.851 -18.886 -31.534 1.00 13.14 ? 91  VAL   B CB  1 
ATOM   746  C CG1 . VAL   A 1 85  ? -30.833 -19.562 -30.626 1.00 13.08 ? 91  VAL   B CG1 1 
ATOM   747  C CG2 . VAL   A 1 85  ? -31.646 -17.403 -31.660 1.00 13.79 ? 91  VAL   B CG2 1 
ATOM   748  N N   . GLN   A 1 86  ? -34.278 -19.734 -33.373 1.00 14.95 ? 92  GLN   B N   1 
ATOM   749  C CA  . GLN   A 1 86  ? -35.636 -19.309 -33.814 1.00 15.40 ? 92  GLN   B CA  1 
ATOM   750  C C   . GLN   A 1 86  ? -35.848 -17.818 -33.508 1.00 14.69 ? 92  GLN   B C   1 
ATOM   751  O O   . GLN   A 1 86  ? -35.546 -17.365 -32.421 1.00 15.82 ? 92  GLN   B O   1 
ATOM   752  C CB  . GLN   A 1 86  ? -36.656 -20.169 -33.075 1.00 17.82 ? 92  GLN   B CB  1 
ATOM   753  C CG  . GLN   A 1 86  ? -38.131 -19.892 -33.378 1.00 20.39 ? 92  GLN   B CG  1 
ATOM   754  C CD  . GLN   A 1 86  ? -39.046 -20.740 -32.505 1.00 23.46 ? 92  GLN   B CD  1 
ATOM   755  O OE1 . GLN   A 1 86  ? -38.648 -21.736 -31.863 1.00 25.47 ? 92  GLN   B OE1 1 
ATOM   756  N NE2 . GLN   A 1 86  ? -40.316 -20.351 -32.405 1.00 25.61 ? 92  GLN   B NE2 1 
ATOM   757  N N   . ARG   A 1 87  ? -36.407 -17.080 -34.458 1.00 13.58 ? 93  ARG   B N   1 
ATOM   758  C CA  . ARG   A 1 87  ? -36.703 -15.631 -34.330 1.00 13.04 ? 93  ARG   B CA  1 
ATOM   759  C C   . ARG   A 1 87  ? -38.206 -15.412 -34.194 1.00 14.99 ? 93  ARG   B C   1 
ATOM   760  O O   . ARG   A 1 87  ? -38.574 -14.395 -33.598 1.00 14.61 ? 93  ARG   B O   1 
ATOM   761  C CB  . ARG   A 1 87  ? -36.187 -14.821 -35.501 1.00 14.57 ? 93  ARG   B CB  1 
ATOM   762  C CG  . ARG   A 1 87  ? -34.714 -15.035 -35.813 1.00 13.89 ? 93  ARG   B CG  1 
ATOM   763  C CD  . ARG   A 1 87  ? -33.790 -14.800 -34.593 1.00 14.61 ? 93  ARG   B CD  1 
ATOM   764  N NE  . ARG   A 1 87  ? -32.412 -15.257 -34.909 1.00 15.57 ? 93  ARG   B NE  1 
ATOM   765  C CZ  . ARG   A 1 87  ? -31.513 -14.550 -35.551 1.00 14.77 ? 93  ARG   B CZ  1 
ATOM   766  N NH1 . ARG   A 1 87  ? -31.766 -13.325 -35.918 1.00 17.11 ? 93  ARG   B NH1 1 
ATOM   767  N NH2 . ARG   A 1 87  ? -30.337 -15.069 -35.845 1.00 18.01 ? 93  ARG   B NH2 1 
ATOM   768  N N   . LYS   A 1 88  ? -39.055 -16.259 -34.773 1.00 14.24 ? 94  LYS   B N   1 
ATOM   769  C CA  . LYS   A 1 88  ? -40.501 -15.971 -34.929 1.00 14.81 ? 94  LYS   B CA  1 
ATOM   770  C C   . LYS   A 1 88  ? -41.309 -16.844 -34.020 1.00 16.16 ? 94  LYS   B C   1 
ATOM   771  O O   . LYS   A 1 88  ? -40.944 -18.043 -33.884 1.00 17.59 ? 94  LYS   B O   1 
ATOM   772  C CB  . LYS   A 1 88  ? -40.902 -16.163 -36.391 1.00 15.42 ? 94  LYS   B CB  1 
ATOM   773  C CG  . LYS   A 1 88  ? -40.080 -15.415 -37.415 1.00 16.85 ? 94  LYS   B CG  1 
ATOM   774  C CD  . LYS   A 1 88  ? -40.054 -13.909 -37.199 1.00 16.67 ? 94  LYS   B CD  1 
ATOM   775  C CE  . LYS   A 1 88  ? -39.257 -13.220 -38.263 1.00 17.66 ? 94  LYS   B CE  1 
ATOM   776  N NZ  . LYS   A 1 88  ? -39.198 -11.746 -38.071 1.00 18.01 ? 94  LYS   B NZ  1 
ATOM   777  N N   . GLY   A 1 89  ? -42.384 -16.336 -33.457 1.00 17.11 ? 95  GLY   B N   1 
ATOM   778  C CA  . GLY   A 1 89  ? -43.265 -17.156 -32.621 1.00 17.03 ? 95  GLY   B CA  1 
ATOM   779  C C   . GLY   A 1 89  ? -42.783 -17.289 -31.197 1.00 18.73 ? 95  GLY   B C   1 
ATOM   780  O O   . GLY   A 1 89  ? -41.791 -16.579 -30.792 1.00 18.18 ? 95  GLY   B O   1 
ATOM   781  N N   . GLN   A 1 90  ? -43.418 -18.188 -30.468 1.00 18.80 ? 96  GLN   B N   1 
ATOM   782  C CA  . GLN   A 1 90  ? -43.154 -18.424 -29.043 1.00 20.55 ? 96  GLN   B CA  1 
ATOM   783  C C   . GLN   A 1 90  ? -42.101 -19.514 -28.883 1.00 19.54 ? 96  GLN   B C   1 
ATOM   784  O O   . GLN   A 1 90  ? -42.014 -20.440 -29.719 1.00 20.35 ? 96  GLN   B O   1 
ATOM   785  C CB  . GLN   A 1 90  ? -44.459 -18.834 -28.352 1.00 22.41 ? 96  GLN   B CB  1 
ATOM   786  C CG  . GLN   A 1 90  ? -45.488 -17.735 -28.460 1.00 29.47 ? 96  GLN   B CG  1 
ATOM   787  C CD  . GLN   A 1 90  ? -46.852 -18.191 -28.040 1.00 38.81 ? 96  GLN   B CD  1 
ATOM   788  O OE1 . GLN   A 1 90  ? -47.217 -18.065 -26.875 1.00 48.03 ? 96  GLN   B OE1 1 
ATOM   789  N NE2 . GLN   A 1 90  ? -47.589 -18.752 -28.992 1.00 43.36 ? 96  GLN   B NE2 1 
ATOM   790  N N   . PHE   A 1 91  ? -41.231 -19.336 -27.885 1.00 16.82 ? 97  PHE   B N   1 
ATOM   791  C CA  . PHE   A 1 91  ? -40.196 -20.323 -27.526 1.00 17.03 ? 97  PHE   B CA  1 
ATOM   792  C C   . PHE   A 1 91  ? -39.698 -20.049 -26.112 1.00 16.55 ? 97  PHE   B C   1 
ATOM   793  O O   . PHE   A 1 91  ? -39.852 -18.943 -25.588 1.00 18.07 ? 97  PHE   B O   1 
ATOM   794  C CB  . PHE   A 1 91  ? -39.027 -20.287 -28.508 1.00 16.58 ? 97  PHE   B CB  1 
ATOM   795  C CG  . PHE   A 1 91  ? -38.407 -18.919 -28.655 1.00 16.54 ? 97  PHE   B CG  1 
ATOM   796  C CD1 . PHE   A 1 91  ? -37.406 -18.530 -27.780 1.00 16.59 ? 97  PHE   B CD1 1 
ATOM   797  C CD2 . PHE   A 1 91  ? -38.746 -18.050 -29.679 1.00 16.41 ? 97  PHE   B CD2 1 
ATOM   798  C CE1 . PHE   A 1 91  ? -36.788 -17.301 -27.904 1.00 15.90 ? 97  PHE   B CE1 1 
ATOM   799  C CE2 . PHE   A 1 91  ? -38.126 -16.822 -29.810 1.00 16.02 ? 97  PHE   B CE2 1 
ATOM   800  C CZ  . PHE   A 1 91  ? -37.142 -16.459 -28.923 1.00 16.20 ? 97  PHE   B CZ  1 
ATOM   801  N N   A SER   A 1 92  ? -39.149 -21.071 -25.458 0.25 17.66 ? 98  SER   B N   1 
ATOM   802  N N   B SER   A 1 92  ? -39.124 -21.092 -25.517 0.25 16.54 ? 98  SER   B N   1 
ATOM   803  C CA  A SER   A 1 92  ? -38.512 -20.929 -24.125 0.25 17.78 ? 98  SER   B CA  1 
ATOM   804  C CA  B SER   A 1 92  ? -38.455 -21.065 -24.196 0.25 15.99 ? 98  SER   B CA  1 
ATOM   805  C C   A SER   A 1 92  ? -37.000 -20.785 -24.285 0.25 16.22 ? 98  SER   B C   1 
ATOM   806  C C   B SER   A 1 92  ? -36.973 -20.715 -24.371 0.25 15.13 ? 98  SER   B C   1 
ATOM   807  O O   A SER   A 1 92  ? -36.408 -21.412 -25.187 0.25 15.88 ? 98  SER   B O   1 
ATOM   808  O O   B SER   A 1 92  ? -36.371 -21.077 -25.433 0.25 14.63 ? 98  SER   B O   1 
ATOM   809  C CB  A SER   A 1 92  ? -38.818 -22.081 -23.226 0.25 20.56 ? 98  SER   B CB  1 
ATOM   810  C CB  B SER   A 1 92  ? -38.629 -22.386 -23.491 0.25 16.54 ? 98  SER   B CB  1 
ATOM   811  O OG  A SER   A 1 92  ? -38.501 -23.292 -23.878 0.25 24.08 ? 98  SER   B OG  1 
ATOM   812  O OG  B SER   A 1 92  ? -40.005 -22.583 -23.166 0.25 19.16 ? 98  SER   B OG  1 
ATOM   813  N N   . LEU   A 1 93  ? -36.406 -20.014 -23.386 1.00 14.72 ? 99  LEU   B N   1 
ATOM   814  C CA  . LEU   A 1 93  ? -34.951 -19.841 -23.308 1.00 15.43 ? 99  LEU   B CA  1 
ATOM   815  C C   . LEU   A 1 93  ? -34.359 -21.036 -22.606 1.00 15.98 ? 99  LEU   B C   1 
ATOM   816  O O   . LEU   A 1 93  ? -34.481 -21.203 -21.413 1.00 17.52 ? 99  LEU   B O   1 
ATOM   817  C CB  . LEU   A 1 93  ? -34.591 -18.561 -22.570 1.00 15.76 ? 99  LEU   B CB  1 
ATOM   818  C CG  . LEU   A 1 93  ? -35.093 -17.277 -23.205 1.00 16.87 ? 99  LEU   B CG  1 
ATOM   819  C CD1 . LEU   A 1 93  ? -34.733 -16.085 -22.319 1.00 17.80 ? 99  LEU   B CD1 1 
ATOM   820  C CD2 . LEU   A 1 93  ? -34.554 -17.093 -24.620 1.00 18.68 ? 99  LEU   B CD2 1 
ATOM   821  N N   . SER   A 1 94  ? -33.698 -21.915 -23.358 1.00 14.12 ? 100 SER   B N   1 
ATOM   822  C CA  . SER   A 1 94  ? -33.096 -23.146 -22.825 1.00 14.20 ? 100 SER   B CA  1 
ATOM   823  C C   . SER   A 1 94  ? -31.894 -23.487 -23.676 1.00 13.59 ? 100 SER   B C   1 
ATOM   824  O O   . SER   A 1 94  ? -31.887 -23.175 -24.870 1.00 13.30 ? 100 SER   B O   1 
ATOM   825  C CB  . SER   A 1 94  ? -34.054 -24.324 -22.817 1.00 16.74 ? 100 SER   B CB  1 
ATOM   826  O OG  . SER   A 1 94  ? -34.409 -24.672 -24.147 1.00 19.91 ? 100 SER   B OG  1 
ATOM   827  N N   . PRO   A 1 95  ? -30.970 -24.284 -23.158 1.00 13.31 ? 101 PRO   B N   1 
ATOM   828  C CA  . PRO   A 1 95  ? -29.866 -24.786 -23.975 1.00 14.68 ? 101 PRO   B CA  1 
ATOM   829  C C   . PRO   A 1 95  ? -30.361 -25.671 -25.124 1.00 14.45 ? 101 PRO   B C   1 
ATOM   830  O O   . PRO   A 1 95  ? -29.776 -25.547 -26.242 1.00 14.68 ? 101 PRO   B O   1 
ATOM   831  C CB  . PRO   A 1 95  ? -28.959 -25.560 -22.995 1.00 15.50 ? 101 PRO   B CB  1 
ATOM   832  C CG  . PRO   A 1 95  ? -29.255 -24.857 -21.655 1.00 16.01 ? 101 PRO   B CG  1 
ATOM   833  C CD  . PRO   A 1 95  ? -30.737 -24.549 -21.736 1.00 15.18 ? 101 PRO   B CD  1 
ATOM   834  N N   . GLU   A 1 96  ? -31.446 -26.413 -24.925 1.00 15.45 ? 102 GLU   B N   1 
ATOM   835  C CA  . GLU   A 1 96  ? -32.001 -27.237 -26.029 1.00 17.03 ? 102 GLU   B CA  1 
ATOM   836  C C   . GLU   A 1 96  ? -32.399 -26.346 -27.208 1.00 16.86 ? 102 GLU   B C   1 
ATOM   837  O O   . GLU   A 1 96  ? -32.344 -26.781 -28.369 1.00 18.79 ? 102 GLU   B O   1 
ATOM   838  C CB  . GLU   A 1 96  ? -33.157 -28.058 -25.475 1.00 21.65 ? 102 GLU   B CB  1 
ATOM   839  C CG  . GLU   A 1 96  ? -32.744 -28.922 -24.299 1.00 31.81 ? 102 GLU   B CG  1 
ATOM   840  C CD  . GLU   A 1 96  ? -33.135 -28.383 -22.924 1.00 37.63 ? 102 GLU   B CD  1 
ATOM   841  O OE1 . GLU   A 1 96  ? -32.387 -27.516 -22.340 1.00 25.44 ? 102 GLU   B OE1 1 
ATOM   842  O OE2 . GLU   A 1 96  ? -34.190 -28.871 -22.411 1.00 44.32 ? 102 GLU   B OE2 1 
ATOM   843  N N   . ASN   A 1 97  ? -32.880 -25.128 -26.959 1.00 14.85 ? 103 ASN   B N   1 
ATOM   844  C CA  . ASN   A 1 97  ? -33.272 -24.173 -28.015 1.00 14.94 ? 103 ASN   B CA  1 
ATOM   845  C C   . ASN   A 1 97  ? -32.108 -23.269 -28.420 1.00 13.81 ? 103 ASN   B C   1 
ATOM   846  O O   . ASN   A 1 97  ? -32.315 -22.410 -29.262 1.00 14.61 ? 103 ASN   B O   1 
ATOM   847  C CB  . ASN   A 1 97  ? -34.493 -23.352 -27.573 1.00 15.94 ? 103 ASN   B CB  1 
ATOM   848  C CG  . ASN   A 1 97  ? -35.775 -24.140 -27.562 1.00 18.28 ? 103 ASN   B CG  1 
ATOM   849  O OD1 . ASN   A 1 97  ? -35.853 -25.226 -28.169 1.00 20.69 ? 103 ASN   B OD1 1 
ATOM   850  N ND2 . ASN   A 1 97  ? -36.747 -23.659 -26.798 1.00 20.39 ? 103 ASN   B ND2 1 
ATOM   851  N N   . GLY   A 1 98  ? -30.894 -23.442 -27.914 1.00 12.36 ? 104 GLY   B N   1 
ATOM   852  C CA  . GLY   A 1 98  ? -29.718 -22.666 -28.305 1.00 12.17 ? 104 GLY   B CA  1 
ATOM   853  C C   . GLY   A 1 98  ? -29.477 -21.389 -27.511 1.00 11.20 ? 104 GLY   B C   1 
ATOM   854  O O   . GLY   A 1 98  ? -28.832 -20.495 -28.032 1.00 11.96 ? 104 GLY   B O   1 
ATOM   855  N N   . PHE   A 1 99  ? -29.941 -21.347 -26.243 1.00 12.26 ? 105 PHE   B N   1 
ATOM   856  C CA  . PHE   A 1 99  ? -29.741 -20.152 -25.385 1.00 11.51 ? 105 PHE   B CA  1 
ATOM   857  C C   . PHE   A 1 99  ? -29.067 -20.504 -24.067 1.00 10.63 ? 105 PHE   B C   1 
ATOM   858  O O   . PHE   A 1 99  ? -29.501 -21.504 -23.452 1.00 12.29 ? 105 PHE   B O   1 
ATOM   859  C CB  . PHE   A 1 99  ? -31.085 -19.481 -25.047 1.00 12.19 ? 105 PHE   B CB  1 
ATOM   860  C CG  . PHE   A 1 99  ? -31.871 -18.981 -26.234 1.00 11.09 ? 105 PHE   B CG  1 
ATOM   861  C CD1 . PHE   A 1 99  ? -32.804 -19.784 -26.865 1.00 12.08 ? 105 PHE   B CD1 1 
ATOM   862  C CD2 . PHE   A 1 99  ? -31.742 -17.682 -26.674 1.00 11.23 ? 105 PHE   B CD2 1 
ATOM   863  C CE1 . PHE   A 1 99  ? -33.520 -19.336 -27.975 1.00 13.04 ? 105 PHE   B CE1 1 
ATOM   864  C CE2 . PHE   A 1 99  ? -32.467 -17.234 -27.750 1.00 12.84 ? 105 PHE   B CE2 1 
ATOM   865  C CZ  . PHE   A 1 99  ? -33.375 -18.042 -28.363 1.00 12.17 ? 105 PHE   B CZ  1 
ATOM   866  N N   . TRP   A 1 100 ? -28.114 -19.676 -23.642 1.00 10.56 ? 106 TRP   B N   1 
ATOM   867  C CA  . TRP   A 1 100 ? -27.416 -19.782 -22.341 1.00 10.74 ? 106 TRP   B CA  1 
ATOM   868  C C   . TRP   A 1 100 ? -27.581 -18.433 -21.657 1.00 9.95  ? 106 TRP   B C   1 
ATOM   869  O O   . TRP   A 1 100 ? -26.838 -17.493 -21.971 1.00 10.75 ? 106 TRP   B O   1 
ATOM   870  C CB  . TRP   A 1 100 ? -25.955 -20.239 -22.495 1.00 10.62 ? 106 TRP   B CB  1 
ATOM   871  C CG  . TRP   A 1 100 ? -25.875 -21.614 -23.099 1.00 10.84 ? 106 TRP   B CG  1 
ATOM   872  C CD1 . TRP   A 1 100 ? -25.790 -22.802 -22.444 1.00 11.51 ? 106 TRP   B CD1 1 
ATOM   873  C CD2 . TRP   A 1 100 ? -25.896 -21.938 -24.520 1.00 11.36 ? 106 TRP   B CD2 1 
ATOM   874  N NE1 . TRP   A 1 100 ? -25.814 -23.849 -23.355 1.00 12.40 ? 106 TRP   B NE1 1 
ATOM   875  C CE2 . TRP   A 1 100 ? -25.880 -23.345 -24.617 1.00 12.41 ? 106 TRP   B CE2 1 
ATOM   876  C CE3 . TRP   A 1 100 ? -25.952 -21.176 -25.689 1.00 12.00 ? 106 TRP   B CE3 1 
ATOM   877  C CZ2 . TRP   A 1 100 ? -25.951 -24.002 -25.860 1.00 13.60 ? 106 TRP   B CZ2 1 
ATOM   878  C CZ3 . TRP   A 1 100 ? -25.996 -21.839 -26.905 1.00 14.22 ? 106 TRP   B CZ3 1 
ATOM   879  C CH2 . TRP   A 1 100 ? -26.019 -23.214 -26.975 1.00 13.95 ? 106 TRP   B CH2 1 
ATOM   880  N N   . THR   A 1 101 ? -28.567 -18.340 -20.761 1.00 10.78 ? 107 THR   B N   1 
ATOM   881  C CA  . THR   A 1 101 ? -29.081 -17.025 -20.297 1.00 10.33 ? 107 THR   B CA  1 
ATOM   882  C C   . THR   A 1 101 ? -29.421 -17.095 -18.801 1.00 10.43 ? 107 THR   B C   1 
ATOM   883  O O   . THR   A 1 101 ? -29.673 -18.176 -18.251 1.00 10.84 ? 107 THR   B O   1 
ATOM   884  C CB  . THR   A 1 101 ? -30.331 -16.585 -21.046 1.00 11.70 ? 107 THR   B CB  1 
ATOM   885  O OG1 . THR   A 1 101 ? -31.399 -17.498 -20.815 1.00 12.28 ? 107 THR   B OG1 1 
ATOM   886  C CG2 . THR   A 1 101 ? -30.062 -16.381 -22.526 1.00 11.83 ? 107 THR   B CG2 1 
ATOM   887  N N   . ILE   A 1 102 ? -29.449 -15.918 -18.197 1.00 11.03 ? 108 ILE   B N   1 
ATOM   888  C CA  . ILE   A 1 102 ? -30.094 -15.693 -16.865 1.00 10.74 ? 108 ILE   B CA  1 
ATOM   889  C C   . ILE   A 1 102 ? -31.096 -14.554 -17.043 1.00 10.99 ? 108 ILE   B C   1 
ATOM   890  O O   . ILE   A 1 102 ? -31.026 -13.798 -18.062 1.00 11.52 ? 108 ILE   B O   1 
ATOM   891  C CB  . ILE   A 1 102 ? -29.073 -15.391 -15.749 1.00 11.11 ? 108 ILE   B CB  1 
ATOM   892  C CG1 . ILE   A 1 102 ? -28.376 -14.038 -15.935 1.00 11.92 ? 108 ILE   B CG1 1 
ATOM   893  C CG2 . ILE   A 1 102 ? -28.080 -16.546 -15.624 1.00 11.51 ? 108 ILE   B CG2 1 
ATOM   894  C CD1 . ILE   A 1 102 ? -27.559 -13.577 -14.743 1.00 12.45 ? 108 ILE   B CD1 1 
ATOM   895  N N   . TRP   A 1 103 ? -31.951 -14.405 -16.050 1.00 11.00 ? 109 TRP   B N   1 
ATOM   896  C CA  . TRP   A 1 103 ? -32.965 -13.339 -16.121 1.00 11.40 ? 109 TRP   B CA  1 
ATOM   897  C C   . TRP   A 1 103 ? -33.376 -12.898 -14.737 1.00 11.58 ? 109 TRP   B C   1 
ATOM   898  O O   . TRP   A 1 103 ? -33.197 -13.586 -13.718 1.00 11.96 ? 109 TRP   B O   1 
ATOM   899  C CB  . TRP   A 1 103 ? -34.150 -13.764 -16.938 1.00 13.87 ? 109 TRP   B CB  1 
ATOM   900  C CG  . TRP   A 1 103 ? -34.941 -14.895 -16.417 1.00 15.54 ? 109 TRP   B CG  1 
ATOM   901  C CD1 . TRP   A 1 103 ? -35.794 -14.919 -15.351 1.00 15.98 ? 109 TRP   B CD1 1 
ATOM   902  C CD2 . TRP   A 1 103 ? -35.042 -16.161 -17.062 1.00 15.89 ? 109 TRP   B CD2 1 
ATOM   903  N NE1 . TRP   A 1 103 ? -36.456 -16.114 -15.321 1.00 17.92 ? 109 TRP   B NE1 1 
ATOM   904  C CE2 . TRP   A 1 103 ? -36.020 -16.895 -16.357 1.00 16.48 ? 109 TRP   B CE2 1 
ATOM   905  C CE3 . TRP   A 1 103 ? -34.460 -16.709 -18.200 1.00 17.43 ? 109 TRP   B CE3 1 
ATOM   906  C CZ2 . TRP   A 1 103 ? -36.377 -18.194 -16.734 1.00 19.10 ? 109 TRP   B CZ2 1 
ATOM   907  C CZ3 . TRP   A 1 103 ? -34.833 -17.972 -18.576 1.00 19.64 ? 109 TRP   B CZ3 1 
ATOM   908  C CH2 . TRP   A 1 103 ? -35.769 -18.690 -17.864 1.00 17.71 ? 109 TRP   B CH2 1 
ATOM   909  N N   . LEU   A 1 104 ? -33.970 -11.689 -14.745 1.00 11.65 ? 110 LEU   B N   1 
ATOM   910  C CA  . LEU   A 1 104 ? -34.744 -11.148 -13.612 1.00 12.18 ? 110 LEU   B CA  1 
ATOM   911  C C   . LEU   A 1 104 ? -36.200 -11.116 -14.039 1.00 11.35 ? 110 LEU   B C   1 
ATOM   912  O O   . LEU   A 1 104 ? -36.515 -10.633 -15.118 1.00 11.67 ? 110 LEU   B O   1 
ATOM   913  C CB  . LEU   A 1 104 ? -34.291 -9.747  -13.298 1.00 12.53 ? 110 LEU   B CB  1 
ATOM   914  C CG  . LEU   A 1 104 ? -35.128 -8.974  -12.275 1.00 13.30 ? 110 LEU   B CG  1 
ATOM   915  C CD1 . LEU   A 1 104 ? -35.158 -9.646  -10.906 1.00 13.22 ? 110 LEU   B CD1 1 
ATOM   916  C CD2 . LEU   A 1 104 ? -34.656 -7.536  -12.173 1.00 14.31 ? 110 LEU   B CD2 1 
ATOM   917  N N   . TRP   A 1 105 ? -37.085 -11.565 -13.138 1.00 12.77 ? 111 TRP   B N   1 
ATOM   918  C CA  . TRP   A 1 105 ? -38.541 -11.574 -13.373 1.00 13.77 ? 111 TRP   B CA  1 
ATOM   919  C C   . TRP   A 1 105 ? -39.263 -11.622 -12.040 1.00 15.28 ? 111 TRP   B C   1 
ATOM   920  O O   . TRP   A 1 105 ? -38.963 -12.512 -11.231 1.00 15.43 ? 111 TRP   B O   1 
ATOM   921  C CB  . TRP   A 1 105 ? -38.910 -12.797 -14.205 1.00 17.33 ? 111 TRP   B CB  1 
ATOM   922  C CG  . TRP   A 1 105 ? -40.362 -13.038 -14.337 1.00 20.78 ? 111 TRP   B CG  1 
ATOM   923  C CD1 . TRP   A 1 105 ? -41.135 -14.035 -13.808 1.00 21.76 ? 111 TRP   B CD1 1 
ATOM   924  C CD2 . TRP   A 1 105 ? -41.215 -12.216 -15.129 1.00 20.62 ? 111 TRP   B CD2 1 
ATOM   925  N NE1 . TRP   A 1 105 ? -42.418 -13.872 -14.221 1.00 22.01 ? 111 TRP   B NE1 1 
ATOM   926  C CE2 . TRP   A 1 105 ? -42.503 -12.767 -15.019 1.00 18.52 ? 111 TRP   B CE2 1 
ATOM   927  C CE3 . TRP   A 1 105 ? -41.030 -11.089 -15.939 1.00 20.06 ? 111 TRP   B CE3 1 
ATOM   928  C CZ2 . TRP   A 1 105 ? -43.606 -12.242 -15.685 1.00 24.07 ? 111 TRP   B CZ2 1 
ATOM   929  C CZ3 . TRP   A 1 105 ? -42.134 -10.536 -16.553 1.00 25.44 ? 111 TRP   B CZ3 1 
ATOM   930  C CH2 . TRP   A 1 105 ? -43.402 -11.098 -16.429 1.00 24.12 ? 111 TRP   B CH2 1 
ATOM   931  N N   . GLN   A 1 106 ? -40.147 -10.649 -11.787 1.00 14.20 ? 112 GLN   B N   1 
ATOM   932  C CA  . GLN   A 1 106 ? -40.978 -10.681 -10.548 1.00 14.18 ? 112 GLN   B CA  1 
ATOM   933  C C   . GLN   A 1 106 ? -40.099 -10.861 -9.337  1.00 15.25 ? 112 GLN   B C   1 
ATOM   934  O O   . GLN   A 1 106 ? -40.446 -11.708 -8.439  1.00 17.88 ? 112 GLN   B O   1 
ATOM   935  C CB  . GLN   A 1 106 ? -42.089 -11.711 -10.686 1.00 15.75 ? 112 GLN   B CB  1 
ATOM   936  C CG  . GLN   A 1 106 ? -43.007 -11.392 -11.852 1.00 16.70 ? 112 GLN   B CG  1 
ATOM   937  C CD  . GLN   A 1 106 ? -44.285 -12.183 -11.918 1.00 18.42 ? 112 GLN   B CD  1 
ATOM   938  O OE1 . GLN   A 1 106 ? -45.223 -11.820 -12.651 1.00 21.96 ? 112 GLN   B OE1 1 
ATOM   939  N NE2 . GLN   A 1 106 ? -44.343 -13.260 -11.157 1.00 17.78 ? 112 GLN   B NE2 1 
ATOM   940  N N   . ASP   A 1 107 ? -39.082 -10.051 -9.212  1.00 15.96 ? 113 ASP   B N   1 
ATOM   941  C CA  . ASP   A 1 107 ? -38.272 -9.950  -7.994  1.00 20.17 ? 113 ASP   B CA  1 
ATOM   942  C C   . ASP   A 1 107 ? -37.470 -11.237 -7.717  1.00 20.35 ? 113 ASP   B C   1 
ATOM   943  O O   . ASP   A 1 107 ? -36.931 -11.343 -6.597  1.00 29.30 ? 113 ASP   B O   1 
ATOM   944  C CB  . ASP   A 1 107 ? -39.234 -9.669  -6.833  1.00 23.18 ? 113 ASP   B CB  1 
ATOM   945  C CG  . ASP   A 1 107 ? -38.594 -9.080  -5.621  1.00 29.68 ? 113 ASP   B CG  1 
ATOM   946  O OD1 . ASP   A 1 107 ? -37.659 -8.247  -5.767  1.00 34.13 ? 113 ASP   B OD1 1 
ATOM   947  O OD2 . ASP   A 1 107 ? -39.092 -9.430  -4.515  1.00 36.73 ? 113 ASP   B OD2 1 
ATOM   948  N N   . SER   A 1 108 ? -37.307 -12.131 -8.689  1.00 16.21 ? 114 SER   B N   1 
ATOM   949  C CA  . SER   A 1 108 ? -36.411 -13.313 -8.543  1.00 18.21 ? 114 SER   B CA  1 
ATOM   950  C C   . SER   A 1 108 ? -35.489 -13.407 -9.753  1.00 16.31 ? 114 SER   B C   1 
ATOM   951  O O   . SER   A 1 108 ? -35.879 -13.075 -10.913 1.00 15.74 ? 114 SER   B O   1 
ATOM   952  C CB  . SER   A 1 108 ? -37.216 -14.548 -8.228  1.00 22.10 ? 114 SER   B CB  1 
ATOM   953  O OG  . SER   A 1 108 ? -37.878 -15.057 -9.352  1.00 32.16 ? 114 SER   B OG  1 
ATOM   954  N N   . TYR   A 1 109 ? -34.288 -13.889 -9.507  1.00 14.03 ? 115 TYR   B N   1 
ATOM   955  C CA  . TYR   A 1 109 ? -33.272 -14.191 -10.553 1.00 13.55 ? 115 TYR   B CA  1 
ATOM   956  C C   . TYR   A 1 109 ? -33.253 -15.688 -10.821 1.00 12.79 ? 115 TYR   B C   1 
ATOM   957  O O   . TYR   A 1 109 ? -33.255 -16.491 -9.872  1.00 14.19 ? 115 TYR   B O   1 
ATOM   958  C CB  . TYR   A 1 109 ? -31.908 -13.676 -10.124 1.00 13.29 ? 115 TYR   B CB  1 
ATOM   959  C CG  . TYR   A 1 109 ? -31.848 -12.171 -9.900  1.00 14.04 ? 115 TYR   B CG  1 
ATOM   960  C CD1 . TYR   A 1 109 ? -32.095 -11.634 -8.647  1.00 14.83 ? 115 TYR   B CD1 1 
ATOM   961  C CD2 . TYR   A 1 109 ? -31.495 -11.304 -10.915 1.00 13.36 ? 115 TYR   B CD2 1 
ATOM   962  C CE1 . TYR   A 1 109 ? -32.019 -10.261 -8.421  1.00 15.04 ? 115 TYR   B CE1 1 
ATOM   963  C CE2 . TYR   A 1 109 ? -31.443 -9.936  -10.702 1.00 13.76 ? 115 TYR   B CE2 1 
ATOM   964  C CZ  . TYR   A 1 109 ? -31.667 -9.418  -9.446  1.00 14.15 ? 115 TYR   B CZ  1 
ATOM   965  O OH  . TYR   A 1 109 ? -31.662 -8.065  -9.203  1.00 15.31 ? 115 TYR   B OH  1 
ATOM   966  N N   A GLU   A 1 110 ? -33.255 -16.091 -12.096 0.25 12.87 ? 116 GLU   B N   1 
ATOM   967  N N   B GLU   A 1 110 ? -33.244 -16.064 -12.104 0.25 12.81 ? 116 GLU   B N   1 
ATOM   968  C CA  A GLU   A 1 110 ? -33.232 -17.529 -12.478 0.25 13.13 ? 116 GLU   B CA  1 
ATOM   969  C CA  B GLU   A 1 110 ? -33.253 -17.480 -12.553 0.25 13.02 ? 116 GLU   B CA  1 
ATOM   970  C C   A GLU   A 1 110 ? -32.319 -17.750 -13.688 0.25 11.94 ? 116 GLU   B C   1 
ATOM   971  C C   B GLU   A 1 110 ? -32.172 -17.681 -13.625 0.25 11.46 ? 116 GLU   B C   1 
ATOM   972  O O   A GLU   A 1 110 ? -32.258 -16.887 -14.570 0.25 12.28 ? 116 GLU   B O   1 
ATOM   973  O O   B GLU   A 1 110 ? -31.798 -16.708 -14.334 0.25 10.68 ? 116 GLU   B O   1 
ATOM   974  C CB  A GLU   A 1 110 ? -34.637 -18.042 -12.778 0.25 14.56 ? 116 GLU   B CB  1 
ATOM   975  C CB  B GLU   A 1 110 ? -34.629 -17.868 -13.091 0.25 14.75 ? 116 GLU   B CB  1 
ATOM   976  C CG  A GLU   A 1 110 ? -35.617 -17.861 -11.621 0.25 16.74 ? 116 GLU   B CG  1 
ATOM   977  C CG  B GLU   A 1 110 ? -35.766 -17.733 -12.078 0.25 17.44 ? 116 GLU   B CG  1 
ATOM   978  C CD  A GLU   A 1 110 ? -37.046 -18.222 -11.979 0.25 18.60 ? 116 GLU   B CD  1 
ATOM   979  C CD  B GLU   A 1 110 ? -35.909 -18.914 -11.127 0.25 18.90 ? 116 GLU   B CD  1 
ATOM   980  O OE1 A GLU   A 1 110 ? -37.494 -17.822 -13.061 0.25 21.12 ? 116 GLU   B OE1 1 
ATOM   981  O OE1 B GLU   A 1 110 ? -35.445 -20.017 -11.465 0.25 24.87 ? 116 GLU   B OE1 1 
ATOM   982  O OE2 A GLU   A 1 110 ? -37.712 -18.897 -11.167 0.25 18.75 ? 116 GLU   B OE2 1 
ATOM   983  O OE2 B GLU   A 1 110 ? -36.526 -18.736 -10.070 0.25 25.57 ? 116 GLU   B OE2 1 
ATOM   984  N N   . ALA   A 1 111 ? -31.679 -18.920 -13.735 1.00 11.86 ? 117 ALA   B N   1 
ATOM   985  C CA  . ALA   A 1 111 ? -30.909 -19.353 -14.912 1.00 11.95 ? 117 ALA   B CA  1 
ATOM   986  C C   . ALA   A 1 111 ? -31.852 -20.088 -15.850 1.00 12.37 ? 117 ALA   B C   1 
ATOM   987  O O   . ALA   A 1 111 ? -32.713 -20.896 -15.435 1.00 12.60 ? 117 ALA   B O   1 
ATOM   988  C CB  . ALA   A 1 111 ? -29.742 -20.239 -14.531 1.00 12.22 ? 117 ALA   B CB  1 
ATOM   989  N N   . GLY   A 1 112 ? -31.698 -19.840 -17.154 1.00 12.18 ? 118 GLY   B N   1 
ATOM   990  C CA  . GLY   A 1 112 ? -32.511 -20.421 -18.224 1.00 13.26 ? 118 GLY   B CA  1 
ATOM   991  C C   . GLY   A 1 112 ? -32.129 -21.849 -18.538 1.00 13.37 ? 118 GLY   B C   1 
ATOM   992  O O   . GLY   A 1 112 ? -31.870 -22.196 -19.675 1.00 15.43 ? 118 GLY   B O   1 
ATOM   993  N N   . THR   A 1 113 ? -32.080 -22.742 -17.568 1.00 15.57 ? 119 THR   B N   1 
ATOM   994  C CA  . THR   A 1 113 ? -32.091 -24.193 -17.780 1.00 16.51 ? 119 THR   B CA  1 
ATOM   995  C C   . THR   A 1 113 ? -33.518 -24.667 -18.035 1.00 16.60 ? 119 THR   B C   1 
ATOM   996  O O   . THR   A 1 113 ? -34.454 -23.870 -17.867 1.00 18.86 ? 119 THR   B O   1 
ATOM   997  C CB  . THR   A 1 113 ? -31.468 -24.805 -16.550 1.00 14.56 ? 119 THR   B CB  1 
ATOM   998  O OG1 . THR   A 1 113 ? -32.164 -24.352 -15.366 1.00 14.66 ? 119 THR   B OG1 1 
ATOM   999  C CG2 . THR   A 1 113 ? -30.020 -24.493 -16.373 1.00 15.99 ? 119 THR   B CG2 1 
ATOM   1000 N N   . SER   A 1 114 ? -33.714 -25.955 -18.357 1.00 20.50 ? 120 SER   B N   1 
ATOM   1001 C CA  . SER   A 1 114 ? -35.067 -26.506 -18.538 1.00 23.91 ? 120 SER   B CA  1 
ATOM   1002 C C   . SER   A 1 114 ? -35.237 -27.696 -17.596 1.00 24.85 ? 120 SER   B C   1 
ATOM   1003 O O   . SER   A 1 114 ? -34.580 -28.722 -17.757 1.00 26.85 ? 120 SER   B O   1 
ATOM   1004 C CB  . SER   A 1 114 ? -35.332 -26.859 -19.998 1.00 29.17 ? 120 SER   B CB  1 
ATOM   1005 O OG  . SER   A 1 114 ? -36.687 -27.288 -20.143 1.00 31.92 ? 120 SER   B OG  1 
ATOM   1006 N N   . PRO   A 1 115 ? -36.002 -27.547 -16.500 1.00 22.38 ? 121 PRO   B N   1 
ATOM   1007 C CA  . PRO   A 1 115 ? -36.679 -26.310 -16.116 1.00 23.01 ? 121 PRO   B CA  1 
ATOM   1008 C C   . PRO   A 1 115 ? -35.712 -25.295 -15.474 1.00 19.41 ? 121 PRO   B C   1 
ATOM   1009 O O   . PRO   A 1 115 ? -34.575 -25.621 -15.200 1.00 18.61 ? 121 PRO   B O   1 
ATOM   1010 C CB  . PRO   A 1 115 ? -37.701 -26.790 -15.089 1.00 26.10 ? 121 PRO   B CB  1 
ATOM   1011 C CG  . PRO   A 1 115 ? -36.990 -27.927 -14.398 1.00 25.71 ? 121 PRO   B CG  1 
ATOM   1012 C CD  . PRO   A 1 115 ? -36.191 -28.617 -15.491 1.00 24.49 ? 121 PRO   B CD  1 
ATOM   1013 N N   . GLN   A 1 116 ? -36.163 -24.063 -15.266 1.00 18.16 ? 122 GLN   B N   1 
ATOM   1014 C CA  . GLN   A 1 116 ? -35.305 -22.957 -14.795 1.00 17.03 ? 122 GLN   B CA  1 
ATOM   1015 C C   . GLN   A 1 116 ? -34.764 -23.253 -13.393 1.00 15.50 ? 122 GLN   B C   1 
ATOM   1016 O O   . GLN   A 1 116 ? -35.406 -23.965 -12.609 1.00 16.91 ? 122 GLN   B O   1 
ATOM   1017 C CB  . GLN   A 1 116 ? -35.999 -21.597 -14.881 1.00 21.59 ? 122 GLN   B CB  1 
ATOM   1018 C CG  . GLN   A 1 116 ? -37.070 -21.343 -13.848 1.00 29.09 ? 122 GLN   B CG  1 
ATOM   1019 C CD  . GLN   A 1 116 ? -38.450 -21.596 -14.395 1.00 39.82 ? 122 GLN   B CD  1 
ATOM   1020 O OE1 . GLN   A 1 116 ? -38.691 -22.557 -15.133 1.00 45.35 ? 122 GLN   B OE1 1 
ATOM   1021 N NE2 . GLN   A 1 116 ? -39.376 -20.743 -13.992 1.00 46.04 ? 122 GLN   B NE2 1 
ATOM   1022 N N   . THR   A 1 117 ? -33.644 -22.644 -13.096 1.00 13.85 ? 123 THR   B N   1 
ATOM   1023 C CA  . THR   A 1 117 ? -32.936 -22.821 -11.824 1.00 13.07 ? 123 THR   B CA  1 
ATOM   1024 C C   . THR   A 1 117 ? -32.955 -21.523 -11.030 1.00 13.08 ? 123 THR   B C   1 
ATOM   1025 O O   . THR   A 1 117 ? -32.513 -20.480 -11.539 1.00 14.08 ? 123 THR   B O   1 
ATOM   1026 C CB  . THR   A 1 117 ? -31.504 -23.291 -12.088 1.00 12.54 ? 123 THR   B CB  1 
ATOM   1027 O OG1 . THR   A 1 117 ? -31.537 -24.525 -12.791 1.00 14.17 ? 123 THR   B OG1 1 
ATOM   1028 C CG2 . THR   A 1 117 ? -30.735 -23.462 -10.797 1.00 13.80 ? 123 THR   B CG2 1 
ATOM   1029 N N   . THR   A 1 118 ? -33.344 -21.588 -9.759  1.00 13.93 ? 124 THR   B N   1 
ATOM   1030 C CA  . THR   A 1 118 ? -33.299 -20.444 -8.838  1.00 14.45 ? 124 THR   B CA  1 
ATOM   1031 C C   . THR   A 1 118 ? -31.874 -19.967 -8.600  1.00 13.70 ? 124 THR   B C   1 
ATOM   1032 O O   . THR   A 1 118 ? -30.980 -20.826 -8.319  1.00 16.32 ? 124 THR   B O   1 
ATOM   1033 C CB  . THR   A 1 118 ? -33.915 -20.892 -7.503  1.00 17.65 ? 124 THR   B CB  1 
ATOM   1034 O OG1 . THR   A 1 118 ? -35.272 -21.214 -7.776  1.00 20.38 ? 124 THR   B OG1 1 
ATOM   1035 C CG2 . THR   A 1 118 ? -33.731 -19.864 -6.410  1.00 21.64 ? 124 THR   B CG2 1 
ATOM   1036 N N   . LEU   A 1 119 ? -31.597 -18.680 -8.696  1.00 12.87 ? 125 LEU   B N   1 
ATOM   1037 C CA  . LEU   A 1 119 ? -30.300 -18.087 -8.391  1.00 12.49 ? 125 LEU   B CA  1 
ATOM   1038 C C   . LEU   A 1 119 ? -30.388 -17.510 -6.968  1.00 14.88 ? 125 LEU   B C   1 
ATOM   1039 O O   . LEU   A 1 119 ? -31.497 -17.214 -6.476  1.00 18.81 ? 125 LEU   B O   1 
ATOM   1040 C CB  . LEU   A 1 119 ? -29.870 -17.023 -9.412  1.00 12.84 ? 125 LEU   B CB  1 
ATOM   1041 C CG  . LEU   A 1 119 ? -29.797 -17.548 -10.842 1.00 11.70 ? 125 LEU   B CG  1 
ATOM   1042 C CD1 . LEU   A 1 119 ? -29.551 -16.420 -11.819 1.00 12.86 ? 125 LEU   B CD1 1 
ATOM   1043 C CD2 . LEU   A 1 119 ? -28.719 -18.614 -10.981 1.00 13.16 ? 125 LEU   B CD2 1 
ATOM   1044 N N   . HIS   A 1 120 ? -29.260 -17.389 -6.321  1.00 14.33 ? 126 HIS   B N   1 
ATOM   1045 C CA  . HIS   A 1 120 ? -29.126 -16.907 -4.913  1.00 15.29 ? 126 HIS   B CA  1 
ATOM   1046 C C   . HIS   A 1 120 ? -28.289 -15.642 -4.935  1.00 16.53 ? 126 HIS   B C   1 
ATOM   1047 O O   . HIS   A 1 120 ? -27.024 -15.718 -4.927  1.00 21.86 ? 126 HIS   B O   1 
ATOM   1048 C CB  . HIS   A 1 120 ? -28.470 -18.017 -4.057  1.00 16.56 ? 126 HIS   B CB  1 
ATOM   1049 C CG  . HIS   A 1 120 ? -29.257 -19.282 -4.018  1.00 17.27 ? 126 HIS   B CG  1 
ATOM   1050 N ND1 . HIS   A 1 120 ? -28.949 -20.357 -4.834  1.00 20.35 ? 126 HIS   B ND1 1 
ATOM   1051 C CD2 . HIS   A 1 120 ? -30.341 -19.632 -3.319  1.00 20.31 ? 126 HIS   B CD2 1 
ATOM   1052 C CE1 . HIS   A 1 120 ? -29.834 -21.316 -4.610  1.00 21.53 ? 126 HIS   B CE1 1 
ATOM   1053 N NE2 . HIS   A 1 120 ? -30.671 -20.927 -3.663  1.00 19.92 ? 126 HIS   B NE2 1 
ATOM   1054 N N   . ILE   A 1 121 ? -28.913 -14.492 -5.053  1.00 19.23 ? 127 ILE   B N   1 
ATOM   1055 C CA  . ILE   A 1 121 ? -28.204 -13.188 -5.160  1.00 21.64 ? 127 ILE   B CA  1 
ATOM   1056 C C   . ILE   A 1 121 ? -28.623 -12.337 -3.928  1.00 21.65 ? 127 ILE   B C   1 
ATOM   1057 O O   . ILE   A 1 121 ? -29.820 -12.136 -3.706  1.00 27.80 ? 127 ILE   B O   1 
ATOM   1058 C CB  . ILE   A 1 121 ? -28.521 -12.521 -6.520  1.00 22.77 ? 127 ILE   B CB  1 
ATOM   1059 C CG1 . ILE   A 1 121 ? -28.108 -13.401 -7.714  1.00 20.75 ? 127 ILE   B CG1 1 
ATOM   1060 C CG2 . ILE   A 1 121 ? -27.868 -11.147 -6.559  1.00 28.50 ? 127 ILE   B CG2 1 
ATOM   1061 C CD1 . ILE   A 1 121 ? -28.281 -12.774 -9.094  1.00 21.06 ? 127 ILE   B CD1 1 
ATOM   1062 N N   . GLN   A 1 122 ? -27.657 -11.995 -3.098  1.00 25.66 ? 128 GLN   B N   1 
ATOM   1063 C CA  . GLN   A 1 122 ? -27.897 -11.201 -1.858  1.00 27.76 ? 128 GLN   B CA  1 
ATOM   1064 C C   . GLN   A 1 122 ? -27.853 -9.711  -2.213  1.00 25.40 ? 128 GLN   B C   1 
ATOM   1065 O O   . GLN   A 1 122 ? -28.667 -8.934  -1.647  1.00 26.12 ? 128 GLN   B O   1 
ATOM   1066 C CB  . GLN   A 1 122 ? -26.841 -11.581 -0.811  1.00 31.11 ? 128 GLN   B CB  1 
ATOM   1067 C CG  . GLN   A 1 122 ? -26.971 -10.848 0.528   1.00 40.97 ? 128 GLN   B CG  1 
ATOM   1068 C CD  . GLN   A 1 122 ? -28.328 -10.994 1.190   1.00 44.57 ? 128 GLN   B CD  1 
ATOM   1069 O OE1 . GLN   A 1 122 ? -29.037 -11.982 1.005   1.00 51.46 ? 128 GLN   B OE1 1 
ATOM   1070 N NE2 . GLN   A 1 122 ? -28.715 -9.987  1.962   1.00 47.11 ? 128 GLN   B NE2 1 
ATOM   1071 N N   . VAL   A 1 123 ? -27.038 -9.341  -3.199  1.00 21.37 ? 129 VAL   B N   1 
ATOM   1072 C CA  . VAL   A 1 123 ? -26.859 -7.909  -3.608  1.00 20.28 ? 129 VAL   B CA  1 
ATOM   1073 C C   . VAL   A 1 123 ? -27.425 -7.716  -5.013  1.00 19.92 ? 129 VAL   B C   1 
ATOM   1074 O O   . VAL   A 1 123 ? -26.799 -8.182  -5.960  1.00 18.44 ? 129 VAL   B O   1 
ATOM   1075 C CB  . VAL   A 1 123 ? -25.384 -7.498  -3.577  1.00 21.41 ? 129 VAL   B CB  1 
ATOM   1076 C CG1 . VAL   A 1 123 ? -25.180 -6.059  -4.062  1.00 21.40 ? 129 VAL   B CG1 1 
ATOM   1077 C CG2 . VAL   A 1 123 ? -24.794 -7.654  -2.173  1.00 24.85 ? 129 VAL   B CG2 1 
ATOM   1078 N N   . PRO   A 1 124 ? -28.640 -7.177  -5.213  1.00 18.09 ? 130 PRO   B N   1 
ATOM   1079 C CA  . PRO   A 1 124 ? -29.205 -7.050  -6.557  1.00 18.64 ? 130 PRO   B CA  1 
ATOM   1080 C C   . PRO   A 1 124 ? -28.221 -6.347  -7.470  1.00 16.47 ? 130 PRO   B C   1 
ATOM   1081 O O   . PRO   A 1 124 ? -27.691 -5.287  -7.188  1.00 18.23 ? 130 PRO   B O   1 
ATOM   1082 C CB  . PRO   A 1 124 ? -30.470 -6.203  -6.311  1.00 21.29 ? 130 PRO   B CB  1 
ATOM   1083 C CG  . PRO   A 1 124 ? -30.883 -6.620  -4.897  1.00 21.75 ? 130 PRO   B CG  1 
ATOM   1084 C CD  . PRO   A 1 124 ? -29.577 -6.688  -4.173  1.00 21.38 ? 130 PRO   B CD  1 
ATOM   1085 N N   . PRO   A 1 125 ? -27.828 -6.968  -8.600  1.00 15.71 ? 131 PRO   B N   1 
ATOM   1086 C CA  . PRO   A 1 125 ? -26.824 -6.403  -9.471  1.00 15.47 ? 131 PRO   B CA  1 
ATOM   1087 C C   . PRO   A 1 125 ? -27.327 -5.185  -10.252 1.00 15.56 ? 131 PRO   B C   1 
ATOM   1088 O O   . PRO   A 1 125 ? -28.433 -5.227  -10.767 1.00 15.80 ? 131 PRO   B O   1 
ATOM   1089 C CB  . PRO   A 1 125 ? -26.438 -7.590  -10.384 1.00 16.56 ? 131 PRO   B CB  1 
ATOM   1090 C CG  . PRO   A 1 125 ? -27.576 -8.524  -10.290 1.00 18.12 ? 131 PRO   B CG  1 
ATOM   1091 C CD  . PRO   A 1 125 ? -28.167 -8.364  -8.923  1.00 16.46 ? 131 PRO   B CD  1 
ATOM   1092 N N   . CYS   A 1 126 ? -26.460 -4.201  -10.381 1.00 15.14 ? 132 CYS   B N   1 
ATOM   1093 C CA  . CYS   A 1 126 ? -26.661 -3.092  -11.345 1.00 15.29 ? 132 CYS   B CA  1 
ATOM   1094 C C   . CYS   A 1 126 ? -25.883 -3.335  -12.634 1.00 14.53 ? 132 CYS   B C   1 
ATOM   1095 O O   . CYS   A 1 126 ? -26.206 -2.765  -13.659 1.00 14.08 ? 132 CYS   B O   1 
ATOM   1096 C CB  . CYS   A 1 126 ? -26.258 -1.744  -10.780 1.00 18.98 ? 132 CYS   B CB  1 
ATOM   1097 S SG  . CYS   A 1 126 ? -27.243 -1.274  -9.331  1.00 25.56 ? 132 CYS   B SG  1 
ATOM   1098 N N   A GLN   A 1 127 ? -24.789 -4.119  -12.593 0.25 14.70 ? 133 GLN   B N   1 
ATOM   1099 N N   B GLN   A 1 127 ? -24.926 -4.264  -12.562 0.25 14.91 ? 133 GLN   B N   1 
ATOM   1100 C CA  A GLN   A 1 127 ? -24.052 -4.547  -13.821 0.25 14.99 ? 133 GLN   B CA  1 
ATOM   1101 C CA  B GLN   A 1 127 ? -24.040 -4.603  -13.698 0.25 15.95 ? 133 GLN   B CA  1 
ATOM   1102 C C   A GLN   A 1 127 ? -23.697 -6.034  -13.696 0.25 14.24 ? 133 GLN   B C   1 
ATOM   1103 C C   B GLN   A 1 127 ? -23.779 -6.112  -13.644 0.25 14.73 ? 133 GLN   B C   1 
ATOM   1104 O O   A GLN   A 1 127 ? -23.300 -6.471  -12.603 0.25 13.67 ? 133 GLN   B O   1 
ATOM   1105 O O   B GLN   A 1 127 ? -23.624 -6.676  -12.528 0.25 14.00 ? 133 GLN   B O   1 
ATOM   1106 C CB  A GLN   A 1 127 ? -22.763 -3.767  -14.120 0.25 15.91 ? 133 GLN   B CB  1 
ATOM   1107 C CB  B GLN   A 1 127 ? -22.767 -3.759  -13.657 0.25 17.99 ? 133 GLN   B CB  1 
ATOM   1108 C CG  A GLN   A 1 127 ? -22.955 -2.273  -14.351 0.25 17.27 ? 133 GLN   B CG  1 
ATOM   1109 C CG  B GLN   A 1 127 ? -23.030 -2.268  -13.801 0.25 19.74 ? 133 GLN   B CG  1 
ATOM   1110 C CD  A GLN   A 1 127 ? -22.889 -1.524  -13.045 0.25 19.35 ? 133 GLN   B CD  1 
ATOM   1111 C CD  B GLN   A 1 127 ? -21.796 -1.481  -14.158 0.25 21.69 ? 133 GLN   B CD  1 
ATOM   1112 O OE1 A GLN   A 1 127 ? -22.150 -1.901  -12.142 0.25 19.20 ? 133 GLN   B OE1 1 
ATOM   1113 O OE1 B GLN   A 1 127 ? -20.672 -1.957  -14.034 0.25 25.84 ? 133 GLN   B OE1 1 
ATOM   1114 N NE2 A GLN   A 1 127 ? -23.686 -0.470  -12.925 0.25 19.42 ? 133 GLN   B NE2 1 
ATOM   1115 N NE2 B GLN   A 1 127 ? -21.998 -0.251  -14.584 0.25 23.71 ? 133 GLN   B NE2 1 
ATOM   1116 N N   . ILE   A 1 128 ? -23.854 -6.747  -14.815 1.00 13.76 ? 134 ILE   B N   1 
ATOM   1117 C CA  . ILE   A 1 128 ? -23.658 -8.216  -14.973 1.00 13.39 ? 134 ILE   B CA  1 
ATOM   1118 C C   . ILE   A 1 128 ? -22.441 -8.368  -15.885 1.00 13.47 ? 134 ILE   B C   1 
ATOM   1119 O O   . ILE   A 1 128 ? -22.376 -7.783  -16.986 1.00 13.14 ? 134 ILE   B O   1 
ATOM   1120 C CB  . ILE   A 1 128 ? -24.913 -8.849  -15.586 1.00 14.24 ? 134 ILE   B CB  1 
ATOM   1121 C CG1 . ILE   A 1 128 ? -26.216 -8.674  -14.780 1.00 17.06 ? 134 ILE   B CG1 1 
ATOM   1122 C CG2 . ILE   A 1 128 ? -24.635 -10.333 -15.867 1.00 14.41 ? 134 ILE   B CG2 1 
ATOM   1123 C CD1 . ILE   A 1 128 ? -26.231 -9.400  -13.528 1.00 16.33 ? 134 ILE   B CD1 1 
ATOM   1124 N N   . GLY   A 1 129 ? -21.492 -9.227  -15.491 1.00 13.53 ? 135 GLY   B N   1 
ATOM   1125 C CA  . GLY   A 1 129 ? -20.396 -9.685  -16.359 1.00 13.25 ? 135 GLY   B CA  1 
ATOM   1126 C C   . GLY   A 1 129 ? -20.699 -11.058 -16.954 1.00 12.44 ? 135 GLY   B C   1 
ATOM   1127 O O   . GLY   A 1 129 ? -21.267 -11.927 -16.274 1.00 13.14 ? 135 GLY   B O   1 
ATOM   1128 N N   . ILE   A 1 130 ? -20.451 -11.207 -18.255 1.00 12.71 ? 136 ILE   B N   1 
ATOM   1129 C CA  . ILE   A 1 130 ? -20.720 -12.463 -19.005 1.00 12.40 ? 136 ILE   B CA  1 
ATOM   1130 C C   . ILE   A 1 130 ? -19.409 -12.950 -19.603 1.00 13.11 ? 136 ILE   B C   1 
ATOM   1131 O O   . ILE   A 1 130 ? -18.704 -12.183 -20.280 1.00 13.02 ? 136 ILE   B O   1 
ATOM   1132 C CB  . ILE   A 1 130 ? -21.766 -12.230 -20.107 1.00 13.30 ? 136 ILE   B CB  1 
ATOM   1133 C CG1 . ILE   A 1 130 ? -23.050 -11.704 -19.488 1.00 14.78 ? 136 ILE   B CG1 1 
ATOM   1134 C CG2 . ILE   A 1 130 ? -22.011 -13.523 -20.884 1.00 14.16 ? 136 ILE   B CG2 1 
ATOM   1135 C CD1 . ILE   A 1 130 ? -24.089 -11.319 -20.461 1.00 17.21 ? 136 ILE   B CD1 1 
ATOM   1136 N N   . PHE   A 1 131 ? -19.056 -14.176 -19.253 1.00 12.96 ? 137 PHE   B N   1 
ATOM   1137 C CA  . PHE   A 1 131 ? -17.809 -14.818 -19.721 1.00 12.45 ? 137 PHE   B CA  1 
ATOM   1138 C C   . PHE   A 1 131 ? -18.151 -16.067 -20.500 1.00 12.67 ? 137 PHE   B C   1 
ATOM   1139 O O   . PHE   A 1 131 ? -18.910 -16.892 -20.039 1.00 13.06 ? 137 PHE   B O   1 
ATOM   1140 C CB  . PHE   A 1 131 ? -16.944 -15.211 -18.532 1.00 13.99 ? 137 PHE   B CB  1 
ATOM   1141 C CG  . PHE   A 1 131 ? -15.699 -15.982 -18.896 1.00 14.97 ? 137 PHE   B CG  1 
ATOM   1142 C CD1 . PHE   A 1 131 ? -14.677 -15.352 -19.561 1.00 16.41 ? 137 PHE   B CD1 1 
ATOM   1143 C CD2 . PHE   A 1 131 ? -15.531 -17.313 -18.545 1.00 16.30 ? 137 PHE   B CD2 1 
ATOM   1144 C CE1 . PHE   A 1 131 ? -13.514 -16.050 -19.888 1.00 18.38 ? 137 PHE   B CE1 1 
ATOM   1145 C CE2 . PHE   A 1 131 ? -14.385 -18.020 -18.899 1.00 18.84 ? 137 PHE   B CE2 1 
ATOM   1146 C CZ  . PHE   A 1 131 ? -13.381 -17.370 -19.563 1.00 17.37 ? 137 PHE   B CZ  1 
ATOM   1147 N N   . VAL   A 1 132 ? -17.577 -16.187 -21.695 1.00 12.67 ? 138 VAL   B N   1 
ATOM   1148 C CA  . VAL   A 1 132 ? -17.744 -17.373 -22.559 1.00 12.84 ? 138 VAL   B CA  1 
ATOM   1149 C C   . VAL   A 1 132 ? -16.363 -17.959 -22.838 1.00 12.35 ? 138 VAL   B C   1 
ATOM   1150 O O   . VAL   A 1 132 ? -15.462 -17.260 -23.305 1.00 14.21 ? 138 VAL   B O   1 
ATOM   1151 C CB  . VAL   A 1 132 ? -18.464 -17.041 -23.865 1.00 12.99 ? 138 VAL   B CB  1 
ATOM   1152 C CG1 . VAL   A 1 132 ? -18.594 -18.298 -24.704 1.00 15.26 ? 138 VAL   B CG1 1 
ATOM   1153 C CG2 . VAL   A 1 132 ? -19.837 -16.418 -23.597 1.00 14.85 ? 138 VAL   B CG2 1 
ATOM   1154 N N   . ASP   A 1 133 ? -16.219 -19.238 -22.549 1.00 12.69 ? 139 ASP   B N   1 
ATOM   1155 C CA  . ASP   A 1 133 ? -15.025 -20.031 -22.974 1.00 14.41 ? 139 ASP   B CA  1 
ATOM   1156 C C   . ASP   A 1 133 ? -15.523 -21.045 -23.992 1.00 13.10 ? 139 ASP   B C   1 
ATOM   1157 O O   . ASP   A 1 133 ? -16.152 -22.052 -23.627 1.00 12.95 ? 139 ASP   B O   1 
ATOM   1158 C CB  . ASP   A 1 133 ? -14.297 -20.653 -21.811 1.00 14.16 ? 139 ASP   B CB  1 
ATOM   1159 C CG  . ASP   A 1 133 ? -13.031 -21.410 -22.184 1.00 16.90 ? 139 ASP   B CG  1 
ATOM   1160 O OD1 . ASP   A 1 133 ? -12.906 -21.861 -23.345 1.00 17.61 ? 139 ASP   B OD1 1 
ATOM   1161 O OD2 . ASP   A 1 133 ? -12.209 -21.519 -21.239 1.00 21.32 ? 139 ASP   B OD2 1 
ATOM   1162 N N   . TYR   A 1 134 ? -15.307 -20.742 -25.271 1.00 13.29 ? 140 TYR   B N   1 
ATOM   1163 C CA  . TYR   A 1 134 ? -15.879 -21.583 -26.341 1.00 13.99 ? 140 TYR   B CA  1 
ATOM   1164 C C   . TYR   A 1 134 ? -15.386 -23.041 -26.280 1.00 14.26 ? 140 TYR   B C   1 
ATOM   1165 O O   . TYR   A 1 134 ? -16.138 -23.987 -26.223 1.00 16.50 ? 140 TYR   B O   1 
ATOM   1166 C CB  . TYR   A 1 134 ? -15.646 -20.961 -27.731 1.00 13.98 ? 140 TYR   B CB  1 
ATOM   1167 C CG  . TYR   A 1 134 ? -16.578 -21.558 -28.760 1.00 13.96 ? 140 TYR   B CG  1 
ATOM   1168 C CD1 . TYR   A 1 134 ? -16.388 -22.832 -29.273 1.00 15.10 ? 140 TYR   B CD1 1 
ATOM   1169 C CD2 . TYR   A 1 134 ? -17.724 -20.889 -29.175 1.00 13.99 ? 140 TYR   B CD2 1 
ATOM   1170 C CE1 . TYR   A 1 134 ? -17.282 -23.420 -30.143 1.00 14.83 ? 140 TYR   B CE1 1 
ATOM   1171 C CE2 . TYR   A 1 134 ? -18.622 -21.460 -30.052 1.00 14.32 ? 140 TYR   B CE2 1 
ATOM   1172 C CZ  . TYR   A 1 134 ? -18.409 -22.725 -30.570 1.00 13.71 ? 140 TYR   B CZ  1 
ATOM   1173 O OH  . TYR   A 1 134 ? -19.313 -23.316 -31.392 1.00 14.36 ? 140 TYR   B OH  1 
ATOM   1174 N N   . GLU   A 1 135 ? -14.083 -23.164 -26.173 1.00 16.35 ? 141 GLU   B N   1 
ATOM   1175 C CA  . GLU   A 1 135 ? -13.432 -24.495 -26.199 1.00 17.03 ? 141 GLU   B CA  1 
ATOM   1176 C C   . GLU   A 1 135 ? -13.841 -25.299 -24.979 1.00 16.91 ? 141 GLU   B C   1 
ATOM   1177 O O   . GLU   A 1 135 ? -14.162 -26.491 -25.139 1.00 18.72 ? 141 GLU   B O   1 
ATOM   1178 C CB  . GLU   A 1 135 ? -11.922 -24.345 -26.285 1.00 19.00 ? 141 GLU   B CB  1 
ATOM   1179 C CG  . GLU   A 1 135 ? -11.463 -24.169 -27.735 1.00 26.12 ? 141 GLU   B CG  1 
ATOM   1180 C CD  . GLU   A 1 135 ? -11.857 -22.861 -28.326 1.00 28.85 ? 141 GLU   B CD  1 
ATOM   1181 O OE1 . GLU   A 1 135 ? -12.099 -22.820 -29.503 1.00 25.64 ? 141 GLU   B OE1 1 
ATOM   1182 O OE2 . GLU   A 1 135 ? -11.904 -21.866 -27.569 1.00 30.91 ? 141 GLU   B OE2 1 
ATOM   1183 N N   . ALA   A 1 136 ? -13.912 -24.700 -23.797 1.00 15.22 ? 142 ALA   B N   1 
ATOM   1184 C CA  . ALA   A 1 136 ? -14.285 -25.407 -22.577 1.00 16.90 ? 142 ALA   B CA  1 
ATOM   1185 C C   . ALA   A 1 136 ? -15.790 -25.701 -22.521 1.00 16.19 ? 142 ALA   B C   1 
ATOM   1186 O O   . ALA   A 1 136 ? -16.204 -26.569 -21.739 1.00 18.30 ? 142 ALA   B O   1 
ATOM   1187 C CB  . ALA   A 1 136 ? -13.863 -24.599 -21.379 1.00 19.05 ? 142 ALA   B CB  1 
ATOM   1188 N N   . GLY   A 1 137 ? -16.634 -25.026 -23.303 1.00 13.92 ? 143 GLY   B N   1 
ATOM   1189 C CA  . GLY   A 1 137 ? -18.083 -25.185 -23.204 1.00 13.20 ? 143 GLY   B CA  1 
ATOM   1190 C C   . GLY   A 1 137 ? -18.635 -24.564 -21.906 1.00 12.43 ? 143 GLY   B C   1 
ATOM   1191 O O   . GLY   A 1 137 ? -19.422 -25.252 -21.234 1.00 13.57 ? 143 GLY   B O   1 
ATOM   1192 N N   . VAL   A 1 138 ? -18.220 -23.335 -21.611 1.00 13.21 ? 144 VAL   B N   1 
ATOM   1193 C CA  . VAL   A 1 138 ? -18.622 -22.637 -20.345 1.00 12.76 ? 144 VAL   B CA  1 
ATOM   1194 C C   . VAL   A 1 138 ? -19.215 -21.279 -20.682 1.00 12.18 ? 144 VAL   B C   1 
ATOM   1195 O O   . VAL   A 1 138 ? -18.621 -20.503 -21.456 1.00 12.98 ? 144 VAL   B O   1 
ATOM   1196 C CB  . VAL   A 1 138 ? -17.376 -22.472 -19.456 1.00 14.03 ? 144 VAL   B CB  1 
ATOM   1197 C CG1 . VAL   A 1 138 ? -17.631 -21.499 -18.290 1.00 15.62 ? 144 VAL   B CG1 1 
ATOM   1198 C CG2 . VAL   A 1 138 ? -16.917 -23.841 -18.970 1.00 15.84 ? 144 VAL   B CG2 1 
ATOM   1199 N N   . VAL   A 1 139 ? -20.318 -20.967 -20.011 1.00 12.21 ? 145 VAL   B N   1 
ATOM   1200 C CA  . VAL   A 1 139 ? -20.856 -19.577 -19.939 1.00 11.49 ? 145 VAL   B CA  1 
ATOM   1201 C C   . VAL   A 1 139 ? -21.075 -19.215 -18.462 1.00 11.41 ? 145 VAL   B C   1 
ATOM   1202 O O   . VAL   A 1 139 ? -21.836 -19.946 -17.789 1.00 12.38 ? 145 VAL   B O   1 
ATOM   1203 C CB  . VAL   A 1 139 ? -22.175 -19.464 -20.714 1.00 11.65 ? 145 VAL   B CB  1 
ATOM   1204 C CG1 . VAL   A 1 139 ? -22.646 -18.014 -20.700 1.00 11.86 ? 145 VAL   B CG1 1 
ATOM   1205 C CG2 . VAL   A 1 139 ? -22.034 -19.980 -22.129 1.00 12.31 ? 145 VAL   B CG2 1 
ATOM   1206 N N   . SER   A 1 140 ? -20.415 -18.181 -17.991 1.00 11.50 ? 146 SER   B N   1 
ATOM   1207 C CA  . SER   A 1 140 ? -20.515 -17.769 -16.573 1.00 12.27 ? 146 SER   B CA  1 
ATOM   1208 C C   . SER   A 1 140 ? -20.982 -16.319 -16.478 1.00 11.39 ? 146 SER   B C   1 
ATOM   1209 O O   . SER   A 1 140 ? -20.671 -15.498 -17.321 1.00 12.68 ? 146 SER   B O   1 
ATOM   1210 C CB  . SER   A 1 140 ? -19.182 -17.962 -15.847 1.00 12.15 ? 146 SER   B CB  1 
ATOM   1211 O OG  . SER   A 1 140 ? -18.829 -19.338 -15.767 1.00 13.40 ? 146 SER   B OG  1 
ATOM   1212 N N   . PHE   A 1 141 ? -21.655 -16.042 -15.374 1.00 11.34 ? 147 PHE   B N   1 
ATOM   1213 C CA  . PHE   A 1 141 ? -22.276 -14.753 -15.075 1.00 11.07 ? 147 PHE   B CA  1 
ATOM   1214 C C   . PHE   A 1 141 ? -21.747 -14.290 -13.732 1.00 11.76 ? 147 PHE   B C   1 
ATOM   1215 O O   . PHE   A 1 141 ? -21.756 -15.068 -12.743 1.00 11.74 ? 147 PHE   B O   1 
ATOM   1216 C CB  . PHE   A 1 141 ? -23.819 -14.866 -15.071 1.00 11.70 ? 147 PHE   B CB  1 
ATOM   1217 C CG  . PHE   A 1 141 ? -24.407 -15.260 -16.402 1.00 11.30 ? 147 PHE   B CG  1 
ATOM   1218 C CD1 . PHE   A 1 141 ? -24.452 -16.602 -16.779 1.00 11.34 ? 147 PHE   B CD1 1 
ATOM   1219 C CD2 . PHE   A 1 141 ? -24.917 -14.289 -17.255 1.00 11.14 ? 147 PHE   B CD2 1 
ATOM   1220 C CE1 . PHE   A 1 141 ? -24.968 -16.954 -18.020 1.00 11.75 ? 147 PHE   B CE1 1 
ATOM   1221 C CE2 . PHE   A 1 141 ? -25.410 -14.667 -18.503 1.00 10.71 ? 147 PHE   B CE2 1 
ATOM   1222 C CZ  . PHE   A 1 141 ? -25.468 -16.001 -18.858 1.00 11.11 ? 147 PHE   B CZ  1 
ATOM   1223 N N   . TYR   A 1 142 ? -21.436 -13.008 -13.653 1.00 11.77 ? 148 TYR   B N   1 
ATOM   1224 C CA  . TYR   A 1 142 ? -20.783 -12.400 -12.472 1.00 13.22 ? 148 TYR   B CA  1 
ATOM   1225 C C   . TYR   A 1 142 ? -21.534 -11.137 -12.054 1.00 13.84 ? 148 TYR   B C   1 
ATOM   1226 O O   . TYR   A 1 142 ? -22.030 -10.347 -12.873 1.00 14.11 ? 148 TYR   B O   1 
ATOM   1227 C CB  . TYR   A 1 142 ? -19.318 -12.079 -12.740 1.00 13.87 ? 148 TYR   B CB  1 
ATOM   1228 C CG  . TYR   A 1 142 ? -18.502 -13.320 -13.020 1.00 14.39 ? 148 TYR   B CG  1 
ATOM   1229 C CD1 . TYR   A 1 142 ? -18.009 -14.125 -12.011 1.00 14.80 ? 148 TYR   B CD1 1 
ATOM   1230 C CD2 . TYR   A 1 142 ? -18.319 -13.770 -14.315 1.00 14.68 ? 148 TYR   B CD2 1 
ATOM   1231 C CE1 . TYR   A 1 142 ? -17.340 -15.306 -12.280 1.00 14.83 ? 148 TYR   B CE1 1 
ATOM   1232 C CE2 . TYR   A 1 142 ? -17.636 -14.936 -14.609 1.00 14.88 ? 148 TYR   B CE2 1 
ATOM   1233 C CZ  . TYR   A 1 142 ? -17.105 -15.692 -13.586 1.00 15.31 ? 148 TYR   B CZ  1 
ATOM   1234 O OH  . TYR   A 1 142 ? -16.464 -16.893 -13.810 1.00 17.69 ? 148 TYR   B OH  1 
ATOM   1235 N N   . ASN   A 1 143 ? -21.611 -10.929 -10.743 1.00 14.70 ? 149 ASN   B N   1 
ATOM   1236 C CA  . ASN   A 1 143 ? -22.285 -9.748  -10.122 1.00 14.02 ? 149 ASN   B CA  1 
ATOM   1237 C C   . ASN   A 1 143 ? -21.240 -8.641  -9.954  1.00 14.38 ? 149 ASN   B C   1 
ATOM   1238 O O   . ASN   A 1 143 ? -20.476 -8.671  -8.940  1.00 16.18 ? 149 ASN   B O   1 
ATOM   1239 C CB  . ASN   A 1 143 ? -22.901 -10.185 -8.801  1.00 14.44 ? 149 ASN   B CB  1 
ATOM   1240 C CG  . ASN   A 1 143 ? -23.744 -9.098  -8.140  1.00 15.03 ? 149 ASN   B CG  1 
ATOM   1241 O OD1 . ASN   A 1 143 ? -23.547 -7.928  -8.477  1.00 15.89 ? 149 ASN   B OD1 1 
ATOM   1242 N ND2 . ASN   A 1 143 ? -24.637 -9.478  -7.273  1.00 16.48 ? 149 ASN   B ND2 1 
ATOM   1243 N N   . ILE   A 1 144 ? -21.175 -7.650  -10.838 1.00 15.77 ? 150 ILE   B N   1 
ATOM   1244 C CA  . ILE   A 1 144 ? -20.105 -6.630  -10.778 1.00 16.48 ? 150 ILE   B CA  1 
ATOM   1245 C C   . ILE   A 1 144 ? -20.362 -5.743  -9.537  1.00 17.54 ? 150 ILE   B C   1 
ATOM   1246 O O   . ILE   A 1 144 ? -19.370 -5.280  -8.951  1.00 20.01 ? 150 ILE   B O   1 
ATOM   1247 C CB  . ILE   A 1 144 ? -20.105 -5.838  -12.089 1.00 17.18 ? 150 ILE   B CB  1 
ATOM   1248 C CG1 . ILE   A 1 144 ? -19.937 -6.747  -13.319 1.00 18.26 ? 150 ILE   B CG1 1 
ATOM   1249 C CG2 . ILE   A 1 144 ? -19.064 -4.727  -12.072 1.00 19.40 ? 150 ILE   B CG2 1 
ATOM   1250 C CD1 . ILE   A 1 144 ? -18.871 -7.802  -13.159 1.00 21.90 ? 150 ILE   B CD1 1 
ATOM   1251 N N   . THR   A 1 145 ? -21.604 -5.548  -9.139  1.00 17.21 ? 151 THR   B N   1 
ATOM   1252 C CA  . THR   A 1 145 ? -21.985 -4.678  -7.979  1.00 17.89 ? 151 THR   B CA  1 
ATOM   1253 C C   . THR   A 1 145 ? -21.425 -5.319  -6.714  1.00 21.44 ? 151 THR   B C   1 
ATOM   1254 O O   . THR   A 1 145 ? -20.985 -4.561  -5.818  1.00 24.82 ? 151 THR   B O   1 
ATOM   1255 C CB  . THR   A 1 145 ? -23.513 -4.557  -7.911  1.00 17.29 ? 151 THR   B CB  1 
ATOM   1256 O OG1 . THR   A 1 145 ? -23.960 -4.098  -9.181  1.00 18.00 ? 151 THR   B OG1 1 
ATOM   1257 C CG2 . THR   A 1 145 ? -23.950 -3.596  -6.827  1.00 20.18 ? 151 THR   B CG2 1 
ATOM   1258 N N   . ASP   A 1 146 ? -21.381 -6.649  -6.635  1.00 20.10 ? 152 ASP   B N   1 
ATOM   1259 C CA  . ASP   A 1 146 ? -20.851 -7.417  -5.469  1.00 20.55 ? 152 ASP   B CA  1 
ATOM   1260 C C   . ASP   A 1 146 ? -19.430 -7.937  -5.748  1.00 20.50 ? 152 ASP   B C   1 
ATOM   1261 O O   . ASP   A 1 146 ? -19.213 -9.133  -5.562  1.00 21.41 ? 152 ASP   B O   1 
ATOM   1262 C CB  . ASP   A 1 146 ? -21.868 -8.460  -5.087  1.00 20.24 ? 152 ASP   B CB  1 
ATOM   1263 C CG  . ASP   A 1 146 ? -21.494 -9.258  -3.858  1.00 23.96 ? 152 ASP   B CG  1 
ATOM   1264 O OD1 . ASP   A 1 146 ? -21.026 -8.624  -2.892  1.00 25.84 ? 152 ASP   B OD1 1 
ATOM   1265 O OD2 . ASP   A 1 146 ? -21.646 -10.482 -3.906  1.00 25.06 ? 152 ASP   B OD2 1 
ATOM   1266 N N   . HIS   A 1 147 ? -18.509 -7.092  -6.176  1.00 22.78 ? 153 HIS   B N   1 
ATOM   1267 C CA  . HIS   A 1 147 ? -17.056 -7.414  -6.247  1.00 27.79 ? 153 HIS   B CA  1 
ATOM   1268 C C   . HIS   A 1 147 ? -16.862 -8.608  -7.193  1.00 25.23 ? 153 HIS   B C   1 
ATOM   1269 O O   . HIS   A 1 147 ? -15.943 -9.397  -6.999  1.00 29.03 ? 153 HIS   B O   1 
ATOM   1270 C CB  . HIS   A 1 147 ? -16.446 -7.796  -4.880  1.00 32.60 ? 153 HIS   B CB  1 
ATOM   1271 C CG  . HIS   A 1 147 ? -16.752 -6.906  -3.713  1.00 40.73 ? 153 HIS   B CG  1 
ATOM   1272 N ND1 . HIS   A 1 147 ? -16.093 -5.705  -3.498  1.00 47.36 ? 153 HIS   B ND1 1 
ATOM   1273 C CD2 . HIS   A 1 147 ? -17.584 -7.077  -2.659  1.00 45.59 ? 153 HIS   B CD2 1 
ATOM   1274 C CE1 . HIS   A 1 147 ? -16.539 -5.152  -2.384  1.00 50.74 ? 153 HIS   B CE1 1 
ATOM   1275 N NE2 . HIS   A 1 147 ? -17.456 -5.977  -1.845  1.00 48.24 ? 153 HIS   B NE2 1 
ATOM   1276 N N   . GLY   A 1 148 ? -17.727 -8.769  -8.193  1.00 20.97 ? 154 GLY   B N   1 
ATOM   1277 C CA  . GLY   A 1 148 ? -17.514 -9.812  -9.218  1.00 18.81 ? 154 GLY   B CA  1 
ATOM   1278 C C   . GLY   A 1 148 ? -17.936 -11.196 -8.777  1.00 16.94 ? 154 GLY   B C   1 
ATOM   1279 O O   . GLY   A 1 148 ? -17.428 -12.111 -9.352  1.00 17.70 ? 154 GLY   B O   1 
ATOM   1280 N N   . SER   A 1 149 ? -18.769 -11.366 -7.767  1.00 15.99 ? 155 SER   B N   1 
ATOM   1281 C CA  . SER   A 1 149 ? -19.125 -12.694 -7.236  1.00 15.36 ? 155 SER   B CA  1 
ATOM   1282 C C   . SER   A 1 149 ? -19.830 -13.517 -8.304  1.00 15.62 ? 155 SER   B C   1 
ATOM   1283 O O   . SER   A 1 149 ? -20.602 -12.975 -9.131  1.00 15.17 ? 155 SER   B O   1 
ATOM   1284 C CB  . SER   A 1 149 ? -19.960 -12.592 -6.002  1.00 16.20 ? 155 SER   B CB  1 
ATOM   1285 O OG  . SER   A 1 149 ? -21.147 -11.824 -6.175  1.00 17.22 ? 155 SER   B OG  1 
ATOM   1286 N N   . LEU   A 1 150 ? -19.610 -14.807 -8.301  1.00 14.21 ? 156 LEU   B N   1 
ATOM   1287 C CA  . LEU   A 1 150 ? -20.264 -15.709 -9.282  1.00 12.94 ? 156 LEU   B CA  1 
ATOM   1288 C C   . LEU   A 1 150 ? -21.765 -15.758 -9.045  1.00 12.83 ? 156 LEU   B C   1 
ATOM   1289 O O   . LEU   A 1 150 ? -22.266 -15.966 -7.917  1.00 13.70 ? 156 LEU   B O   1 
ATOM   1290 C CB  . LEU   A 1 150 ? -19.656 -17.108 -9.145  1.00 13.71 ? 156 LEU   B CB  1 
ATOM   1291 C CG  . LEU   A 1 150 ? -20.211 -18.165 -10.113 1.00 13.71 ? 156 LEU   B CG  1 
ATOM   1292 C CD1 . LEU   A 1 150 ? -19.828 -17.868 -11.542 1.00 13.54 ? 156 LEU   B CD1 1 
ATOM   1293 C CD2 . LEU   A 1 150 ? -19.664 -19.562 -9.738  1.00 14.31 ? 156 LEU   B CD2 1 
ATOM   1294 N N   . ILE   A 1 151 ? -22.520 -15.620 -10.138 1.00 11.95 ? 157 ILE   B N   1 
ATOM   1295 C CA  . ILE   A 1 151 ? -23.965 -15.838 -10.164 1.00 12.66 ? 157 ILE   B CA  1 
ATOM   1296 C C   . ILE   A 1 151 ? -24.294 -17.266 -10.606 1.00 11.83 ? 157 ILE   B C   1 
ATOM   1297 O O   . ILE   A 1 151 ? -25.121 -17.956 -10.025 1.00 12.14 ? 157 ILE   B O   1 
ATOM   1298 C CB  . ILE   A 1 151 ? -24.636 -14.755 -11.039 1.00 12.62 ? 157 ILE   B CB  1 
ATOM   1299 C CG1 . ILE   A 1 151 ? -24.478 -13.357 -10.457 1.00 13.92 ? 157 ILE   B CG1 1 
ATOM   1300 C CG2 . ILE   A 1 151 ? -26.103 -15.098 -11.237 1.00 12.31 ? 157 ILE   B CG2 1 
ATOM   1301 C CD1 . ILE   A 1 151 ? -24.918 -12.240 -11.381 1.00 14.47 ? 157 ILE   B CD1 1 
ATOM   1302 N N   . TYR   A 1 152 ? -23.753 -17.668 -11.758 1.00 11.65 ? 158 TYR   B N   1 
ATOM   1303 C CA  . TYR   A 1 152 ? -24.154 -18.961 -12.349 1.00 11.50 ? 158 TYR   B CA  1 
ATOM   1304 C C   . TYR   A 1 152 ? -23.132 -19.371 -13.415 1.00 11.14 ? 158 TYR   B C   1 
ATOM   1305 O O   . TYR   A 1 152 ? -22.623 -18.499 -14.133 1.00 11.78 ? 158 TYR   B O   1 
ATOM   1306 C CB  . TYR   A 1 152 ? -25.546 -18.900 -13.066 1.00 11.27 ? 158 TYR   B CB  1 
ATOM   1307 C CG  . TYR   A 1 152 ? -26.069 -20.251 -13.424 1.00 11.28 ? 158 TYR   B CG  1 
ATOM   1308 C CD1 . TYR   A 1 152 ? -26.701 -21.018 -12.462 1.00 12.01 ? 158 TYR   B CD1 1 
ATOM   1309 C CD2 . TYR   A 1 152 ? -25.941 -20.783 -14.705 1.00 10.92 ? 158 TYR   B CD2 1 
ATOM   1310 C CE1 . TYR   A 1 152 ? -27.151 -22.276 -12.769 1.00 12.14 ? 158 TYR   B CE1 1 
ATOM   1311 C CE2 . TYR   A 1 152 ? -26.390 -22.040 -14.998 1.00 11.81 ? 158 TYR   B CE2 1 
ATOM   1312 C CZ  . TYR   A 1 152 ? -26.970 -22.796 -14.025 1.00 12.40 ? 158 TYR   B CZ  1 
ATOM   1313 O OH  . TYR   A 1 152 ? -27.367 -24.084 -14.316 1.00 14.74 ? 158 TYR   B OH  1 
ATOM   1314 N N   . THR   A 1 153 ? -22.838 -20.670 -13.495 1.00 11.50 ? 159 THR   B N   1 
ATOM   1315 C CA  . THR   A 1 153 ? -22.023 -21.300 -14.563 1.00 11.95 ? 159 THR   B CA  1 
ATOM   1316 C C   . THR   A 1 153 ? -22.802 -22.398 -15.239 1.00 12.06 ? 159 THR   B C   1 
ATOM   1317 O O   . THR   A 1 153 ? -23.168 -23.385 -14.620 1.00 13.11 ? 159 THR   B O   1 
ATOM   1318 C CB  . THR   A 1 153 ? -20.688 -21.825 -14.000 1.00 12.45 ? 159 THR   B CB  1 
ATOM   1319 O OG1 . THR   A 1 153 ? -19.901 -20.704 -13.602 1.00 12.58 ? 159 THR   B OG1 1 
ATOM   1320 C CG2 . THR   A 1 153 ? -19.943 -22.625 -15.044 1.00 14.00 ? 159 THR   B CG2 1 
ATOM   1321 N N   . PHE   A 1 154 ? -23.001 -22.225 -16.557 1.00 11.68 ? 160 PHE   B N   1 
ATOM   1322 C CA  . PHE   A 1 154 ? -23.383 -23.333 -17.467 1.00 11.78 ? 160 PHE   B CA  1 
ATOM   1323 C C   . PHE   A 1 154 ? -22.077 -24.015 -17.913 1.00 12.05 ? 160 PHE   B C   1 
ATOM   1324 O O   . PHE   A 1 154 ? -21.211 -23.352 -18.456 1.00 12.35 ? 160 PHE   B O   1 
ATOM   1325 C CB  . PHE   A 1 154 ? -24.058 -22.831 -18.741 1.00 12.44 ? 160 PHE   B CB  1 
ATOM   1326 C CG  . PHE   A 1 154 ? -25.414 -22.186 -18.571 1.00 10.63 ? 160 PHE   B CG  1 
ATOM   1327 C CD1 . PHE   A 1 154 ? -25.582 -20.829 -18.315 1.00 11.05 ? 160 PHE   B CD1 1 
ATOM   1328 C CD2 . PHE   A 1 154 ? -26.545 -22.946 -18.763 1.00 11.30 ? 160 PHE   B CD2 1 
ATOM   1329 C CE1 . PHE   A 1 154 ? -26.860 -20.293 -18.240 1.00 11.85 ? 160 PHE   B CE1 1 
ATOM   1330 C CE2 . PHE   A 1 154 ? -27.825 -22.404 -18.679 1.00 11.82 ? 160 PHE   B CE2 1 
ATOM   1331 C CZ  . PHE   A 1 154 ? -27.972 -21.060 -18.425 1.00 11.03 ? 160 PHE   B CZ  1 
ATOM   1332 N N   . SER   A 1 155 ? -21.983 -25.309 -17.615 1.00 13.92 ? 161 SER   B N   1 
ATOM   1333 C CA  . SER   A 1 155 ? -20.829 -26.091 -18.088 1.00 14.95 ? 161 SER   B CA  1 
ATOM   1334 C C   . SER   A 1 155 ? -21.328 -27.239 -18.936 1.00 14.48 ? 161 SER   B C   1 
ATOM   1335 O O   . SER   A 1 155 ? -22.527 -27.497 -18.999 1.00 16.27 ? 161 SER   B O   1 
ATOM   1336 C CB  . SER   A 1 155 ? -20.005 -26.504 -16.909 1.00 15.77 ? 161 SER   B CB  1 
ATOM   1337 O OG  . SER   A 1 155 ? -20.660 -27.463 -16.141 1.00 20.54 ? 161 SER   B OG  1 
ATOM   1338 N N   . GLU   A 1 156 ? -20.395 -27.898 -19.637 1.00 16.83 ? 162 GLU   B N   1 
ATOM   1339 C CA  . GLU   A 1 156 ? -20.775 -28.984 -20.588 1.00 18.10 ? 162 GLU   B CA  1 
ATOM   1340 C C   . GLU   A 1 156 ? -21.715 -28.425 -21.660 1.00 16.13 ? 162 GLU   B C   1 
ATOM   1341 O O   . GLU   A 1 156 ? -22.650 -29.146 -22.117 1.00 18.41 ? 162 GLU   B O   1 
ATOM   1342 C CB  . GLU   A 1 156 ? -21.434 -30.168 -19.879 1.00 21.08 ? 162 GLU   B CB  1 
ATOM   1343 C CG  . GLU   A 1 156 ? -20.728 -30.654 -18.626 1.00 26.16 ? 162 GLU   B CG  1 
ATOM   1344 C CD  . GLU   A 1 156 ? -21.331 -31.987 -18.246 1.00 36.92 ? 162 GLU   B CD  1 
ATOM   1345 O OE1 . GLU   A 1 156 ? -22.440 -31.991 -17.657 1.00 38.78 ? 162 GLU   B OE1 1 
ATOM   1346 O OE2 . GLU   A 1 156 ? -20.762 -33.012 -18.666 1.00 43.06 ? 162 GLU   B OE2 1 
ATOM   1347 N N   . CYS   A 1 157 ? -21.501 -27.160 -22.032 1.00 14.87 ? 163 CYS   B N   1 
ATOM   1348 C CA  . CYS   A 1 157 ? -22.366 -26.525 -23.050 1.00 14.64 ? 163 CYS   B CA  1 
ATOM   1349 C C   . CYS   A 1 157 ? -22.120 -27.184 -24.408 1.00 14.94 ? 163 CYS   B C   1 
ATOM   1350 O O   . CYS   A 1 157 ? -20.920 -27.377 -24.761 1.00 16.67 ? 163 CYS   B O   1 
ATOM   1351 C CB  . CYS   A 1 157 ? -22.181 -25.011 -23.199 1.00 14.20 ? 163 CYS   B CB  1 
ATOM   1352 S SG  . CYS   A 1 157 ? -22.591 -24.097 -21.692 1.00 14.29 ? 163 CYS   B SG  1 
ATOM   1353 N N   . VAL   A 1 158 ? -23.177 -27.407 -25.160 1.00 14.86 ? 164 VAL   B N   1 
ATOM   1354 C CA  . VAL   A 1 158 ? -23.042 -27.914 -26.550 1.00 16.07 ? 164 VAL   B CA  1 
ATOM   1355 C C   . VAL   A 1 158 ? -23.485 -26.769 -27.459 1.00 14.77 ? 164 VAL   B C   1 
ATOM   1356 O O   . VAL   A 1 158 ? -24.644 -26.659 -27.811 1.00 16.76 ? 164 VAL   B O   1 
ATOM   1357 C CB  . VAL   A 1 158 ? -23.786 -29.261 -26.730 1.00 18.27 ? 164 VAL   B CB  1 
ATOM   1358 C CG1 . VAL   A 1 158 ? -23.655 -29.713 -28.185 1.00 18.54 ? 164 VAL   B CG1 1 
ATOM   1359 C CG2 . VAL   A 1 158 ? -23.266 -30.332 -25.781 1.00 20.59 ? 164 VAL   B CG2 1 
ATOM   1360 N N   . PHE   A 1 159 ? -22.603 -25.834 -27.778 1.00 13.66 ? 165 PHE   B N   1 
ATOM   1361 C CA  . PHE   A 1 159 ? -22.920 -24.597 -28.529 1.00 14.76 ? 165 PHE   B CA  1 
ATOM   1362 C C   . PHE   A 1 159 ? -23.492 -24.976 -29.895 1.00 16.07 ? 165 PHE   B C   1 
ATOM   1363 O O   . PHE   A 1 159 ? -24.490 -24.388 -30.322 1.00 16.61 ? 165 PHE   B O   1 
ATOM   1364 C CB  . PHE   A 1 159 ? -21.728 -23.652 -28.530 1.00 14.59 ? 165 PHE   B CB  1 
ATOM   1365 C CG  . PHE   A 1 159 ? -21.297 -23.173 -27.159 1.00 12.85 ? 165 PHE   B CG  1 
ATOM   1366 C CD1 . PHE   A 1 159 ? -22.244 -22.664 -26.266 1.00 13.80 ? 165 PHE   B CD1 1 
ATOM   1367 C CD2 . PHE   A 1 159 ? -19.957 -23.145 -26.785 1.00 14.41 ? 165 PHE   B CD2 1 
ATOM   1368 C CE1 . PHE   A 1 159 ? -21.851 -22.187 -25.019 1.00 13.60 ? 165 PHE   B CE1 1 
ATOM   1369 C CE2 . PHE   A 1 159 ? -19.557 -22.675 -25.546 1.00 14.01 ? 165 PHE   B CE2 1 
ATOM   1370 C CZ  . PHE   A 1 159 ? -20.509 -22.166 -24.673 1.00 13.78 ? 165 PHE   B CZ  1 
ATOM   1371 N N   . ALA   A 1 160 ? -22.797 -25.856 -30.612 1.00 14.71 ? 166 ALA   B N   1 
ATOM   1372 C CA  . ALA   A 1 160 ? -23.254 -26.422 -31.898 1.00 15.60 ? 166 ALA   B CA  1 
ATOM   1373 C C   . ALA   A 1 160 ? -23.375 -25.344 -32.973 1.00 14.86 ? 166 ALA   B C   1 
ATOM   1374 O O   . ALA   A 1 160 ? -24.181 -25.550 -33.941 1.00 16.16 ? 166 ALA   B O   1 
ATOM   1375 C CB  . ALA   A 1 160 ? -24.504 -27.218 -31.717 1.00 15.72 ? 166 ALA   B CB  1 
ATOM   1376 N N   . GLY   A 1 161 ? -22.588 -24.304 -32.914 1.00 15.48 ? 167 GLY   B N   1 
ATOM   1377 C CA  . GLY   A 1 161 ? -22.611 -23.220 -33.905 1.00 16.26 ? 167 GLY   B CA  1 
ATOM   1378 C C   . GLY   A 1 161 ? -21.910 -21.985 -33.401 1.00 14.11 ? 167 GLY   B C   1 
ATOM   1379 O O   . GLY   A 1 161 ? -21.497 -21.939 -32.200 1.00 14.37 ? 167 GLY   B O   1 
ATOM   1380 N N   . PRO   A 1 162 ? -21.806 -20.954 -34.225 1.00 13.40 ? 168 PRO   B N   1 
ATOM   1381 C CA  . PRO   A 1 162 ? -21.338 -19.659 -33.765 1.00 12.98 ? 168 PRO   B CA  1 
ATOM   1382 C C   . PRO   A 1 162 ? -22.288 -19.106 -32.679 1.00 13.32 ? 168 PRO   B C   1 
ATOM   1383 O O   . PRO   A 1 162 ? -23.497 -19.363 -32.749 1.00 13.91 ? 168 PRO   B O   1 
ATOM   1384 C CB  . PRO   A 1 162 ? -21.342 -18.760 -35.003 1.00 13.74 ? 168 PRO   B CB  1 
ATOM   1385 C CG  . PRO   A 1 162 ? -21.456 -19.759 -36.173 1.00 13.72 ? 168 PRO   B CG  1 
ATOM   1386 C CD  . PRO   A 1 162 ? -22.210 -20.914 -35.650 1.00 13.27 ? 168 PRO   B CD  1 
ATOM   1387 N N   . LEU   A 1 163 ? -21.724 -18.354 -31.758 1.00 13.67 ? 169 LEU   B N   1 
ATOM   1388 C CA  . LEU   A 1 163 ? -22.482 -17.689 -30.658 1.00 12.84 ? 169 LEU   B CA  1 
ATOM   1389 C C   . LEU   A 1 163 ? -22.600 -16.205 -30.934 1.00 13.31 ? 169 LEU   B C   1 
ATOM   1390 O O   . LEU   A 1 163 ? -21.664 -15.579 -31.405 1.00 14.21 ? 169 LEU   B O   1 
ATOM   1391 C CB  . LEU   A 1 163 ? -21.789 -17.930 -29.314 1.00 12.81 ? 169 LEU   B CB  1 
ATOM   1392 C CG  . LEU   A 1 163 ? -21.833 -19.368 -28.789 1.00 13.50 ? 169 LEU   B CG  1 
ATOM   1393 C CD1 . LEU   A 1 163 ? -20.981 -19.442 -27.540 1.00 13.95 ? 169 LEU   B CD1 1 
ATOM   1394 C CD2 . LEU   A 1 163 ? -23.265 -19.844 -28.557 1.00 14.32 ? 169 LEU   B CD2 1 
ATOM   1395 N N   . ARG   A 1 164 ? -23.730 -15.634 -30.504 1.00 12.63 ? 170 ARG   B N   1 
ATOM   1396 C CA  . ARG   A 1 164 ? -23.951 -14.186 -30.496 1.00 12.02 ? 170 ARG   B CA  1 
ATOM   1397 C C   . ARG   A 1 164 ? -24.357 -13.726 -29.108 1.00 11.15 ? 170 ARG   B C   1 
ATOM   1398 O O   . ARG   A 1 164 ? -25.118 -14.397 -28.438 1.00 11.70 ? 170 ARG   B O   1 
ATOM   1399 C CB  . ARG   A 1 164 ? -25.008 -13.819 -31.536 1.00 14.09 ? 170 ARG   B CB  1 
ATOM   1400 C CG  . ARG   A 1 164 ? -24.525 -14.186 -32.944 1.00 16.25 ? 170 ARG   B CG  1 
ATOM   1401 C CD  . ARG   A 1 164 ? -25.444 -13.805 -34.061 1.00 17.20 ? 170 ARG   B CD  1 
ATOM   1402 N NE  . ARG   A 1 164 ? -25.476 -12.362 -34.171 1.00 16.95 ? 170 ARG   B NE  1 
ATOM   1403 C CZ  . ARG   A 1 164 ? -26.192 -11.750 -35.094 1.00 17.50 ? 170 ARG   B CZ  1 
ATOM   1404 N NH1 . ARG   A 1 164 ? -26.787 -12.448 -36.030 1.00 18.20 ? 170 ARG   B NH1 1 
ATOM   1405 N NH2 . ARG   A 1 164 ? -26.243 -10.436 -35.110 1.00 16.69 ? 170 ARG   B NH2 1 
ATOM   1406 N N   . PRO   A 1 165 ? -23.908 -12.520 -28.694 1.00 11.23 ? 171 PRO   B N   1 
ATOM   1407 C CA  . PRO   A 1 165 ? -24.457 -11.923 -27.469 1.00 10.95 ? 171 PRO   B CA  1 
ATOM   1408 C C   . PRO   A 1 165 ? -25.976 -11.749 -27.620 1.00 10.80 ? 171 PRO   B C   1 
ATOM   1409 O O   . PRO   A 1 165 ? -26.464 -11.423 -28.679 1.00 11.71 ? 171 PRO   B O   1 
ATOM   1410 C CB  . PRO   A 1 165 ? -23.762 -10.570 -27.355 1.00 11.24 ? 171 PRO   B CB  1 
ATOM   1411 C CG  . PRO   A 1 165 ? -22.454 -10.759 -28.188 1.00 12.83 ? 171 PRO   B CG  1 
ATOM   1412 C CD  . PRO   A 1 165 ? -22.898 -11.652 -29.333 1.00 13.60 ? 171 PRO   B CD  1 
ATOM   1413 N N   . PHE   A 1 166 ? -26.705 -12.053 -26.544 1.00 10.14 ? 172 PHE   B N   1 
ATOM   1414 C CA  . PHE   A 1 166 ? -28.175 -12.053 -26.526 1.00 10.53 ? 172 PHE   B CA  1 
ATOM   1415 C C   . PHE   A 1 166 ? -28.690 -11.117 -25.427 1.00 9.94  ? 172 PHE   B C   1 
ATOM   1416 O O   . PHE   A 1 166 ? -28.206 -11.120 -24.294 1.00 10.21 ? 172 PHE   B O   1 
ATOM   1417 C CB  . PHE   A 1 166 ? -28.658 -13.478 -26.259 1.00 11.24 ? 172 PHE   B CB  1 
ATOM   1418 C CG  . PHE   A 1 166 ? -30.153 -13.581 -26.078 1.00 11.11 ? 172 PHE   B CG  1 
ATOM   1419 C CD1 . PHE   A 1 166 ? -31.010 -13.552 -27.172 1.00 11.48 ? 172 PHE   B CD1 1 
ATOM   1420 C CD2 . PHE   A 1 166 ? -30.722 -13.629 -24.824 1.00 11.97 ? 172 PHE   B CD2 1 
ATOM   1421 C CE1 . PHE   A 1 166 ? -32.389 -13.639 -27.012 1.00 12.04 ? 172 PHE   B CE1 1 
ATOM   1422 C CE2 . PHE   A 1 166 ? -32.102 -13.634 -24.672 1.00 11.40 ? 172 PHE   B CE2 1 
ATOM   1423 C CZ  . PHE   A 1 166 ? -32.925 -13.657 -25.760 1.00 12.21 ? 172 PHE   B CZ  1 
ATOM   1424 N N   . PHE   A 1 167 ? -29.766 -10.373 -25.764 1.00 10.17 ? 173 PHE   B N   1 
ATOM   1425 C CA  . PHE   A 1 167 ? -30.356 -9.359  -24.869 1.00 10.25 ? 173 PHE   B CA  1 
ATOM   1426 C C   . PHE   A 1 167 ? -31.880 -9.420  -24.989 1.00 10.71 ? 173 PHE   B C   1 
ATOM   1427 O O   . PHE   A 1 167 ? -32.414 -9.476  -26.105 1.00 11.20 ? 173 PHE   B O   1 
ATOM   1428 C CB  . PHE   A 1 167 ? -29.909 -7.943  -25.239 1.00 10.57 ? 173 PHE   B CB  1 
ATOM   1429 C CG  . PHE   A 1 167 ? -28.409 -7.781  -25.361 1.00 11.07 ? 173 PHE   B CG  1 
ATOM   1430 C CD1 . PHE   A 1 167 ? -27.747 -8.093  -26.541 1.00 10.92 ? 173 PHE   B CD1 1 
ATOM   1431 C CD2 . PHE   A 1 167 ? -27.651 -7.337  -24.298 1.00 12.73 ? 173 PHE   B CD2 1 
ATOM   1432 C CE1 . PHE   A 1 167 ? -26.356 -7.996  -26.650 1.00 11.09 ? 173 PHE   B CE1 1 
ATOM   1433 C CE2 . PHE   A 1 167 ? -26.278 -7.209  -24.409 1.00 12.82 ? 173 PHE   B CE2 1 
ATOM   1434 C CZ  . PHE   A 1 167 ? -25.637 -7.525  -25.587 1.00 12.95 ? 173 PHE   B CZ  1 
ATOM   1435 N N   . ASN   A 1 168 ? -32.548 -9.224  -23.860 1.00 10.74 ? 174 ASN   B N   1 
ATOM   1436 C CA  . ASN   A 1 168 ? -34.009 -8.982  -23.816 1.00 11.00 ? 174 ASN   B CA  1 
ATOM   1437 C C   . ASN   A 1 168 ? -34.216 -7.842  -22.825 1.00 10.08 ? 174 ASN   B C   1 
ATOM   1438 O O   . ASN   A 1 168 ? -33.912 -8.009  -21.637 1.00 11.02 ? 174 ASN   B O   1 
ATOM   1439 C CB  . ASN   A 1 168 ? -34.809 -10.197 -23.392 1.00 11.15 ? 174 ASN   B CB  1 
ATOM   1440 C CG  . ASN   A 1 168 ? -36.304 -10.020 -23.506 1.00 12.07 ? 174 ASN   B CG  1 
ATOM   1441 O OD1 . ASN   A 1 168 ? -36.808 -8.943  -23.793 1.00 12.75 ? 174 ASN   B OD1 1 
ATOM   1442 N ND2 . ASN   A 1 168 ? -37.035 -11.090 -23.303 1.00 13.70 ? 174 ASN   B ND2 1 
ATOM   1443 N N   . VAL   A 1 169 ? -34.748 -6.695  -23.303 1.00 10.32 ? 175 VAL   B N   1 
ATOM   1444 C CA  . VAL   A 1 169 ? -35.008 -5.523  -22.419 1.00 10.83 ? 175 VAL   B CA  1 
ATOM   1445 C C   . VAL   A 1 169 ? -36.260 -5.772  -21.564 1.00 10.90 ? 175 VAL   B C   1 
ATOM   1446 O O   . VAL   A 1 169 ? -36.508 -4.972  -20.627 1.00 11.77 ? 175 VAL   B O   1 
ATOM   1447 C CB  . VAL   A 1 169 ? -35.128 -4.176  -23.161 1.00 11.66 ? 175 VAL   B CB  1 
ATOM   1448 C CG1 . VAL   A 1 169 ? -33.821 -3.832  -23.846 1.00 12.66 ? 175 VAL   B CG1 1 
ATOM   1449 C CG2 . VAL   A 1 169 ? -36.291 -4.152  -24.133 1.00 12.49 ? 175 VAL   B CG2 1 
ATOM   1450 N N   . GLY   A 1 170 ? -37.077 -6.781  -21.890 1.00 11.55 ? 176 GLY   B N   1 
ATOM   1451 C CA  . GLY   A 1 170 ? -38.367 -7.065  -21.237 1.00 11.75 ? 176 GLY   B CA  1 
ATOM   1452 C C   . GLY   A 1 170 ? -39.451 -6.111  -21.658 1.00 11.54 ? 176 GLY   B C   1 
ATOM   1453 O O   . GLY   A 1 170 ? -39.226 -5.049  -22.217 1.00 11.51 ? 176 GLY   B O   1 
ATOM   1454 N N   . PHE   A 1 171 ? -40.677 -6.570  -21.419 1.00 12.17 ? 177 PHE   B N   1 
ATOM   1455 C CA  . PHE   A 1 171 ? -41.879 -5.726  -21.592 1.00 11.44 ? 177 PHE   B CA  1 
ATOM   1456 C C   . PHE   A 1 171 ? -41.903 -4.643  -20.532 1.00 11.87 ? 177 PHE   B C   1 
ATOM   1457 O O   . PHE   A 1 171 ? -41.222 -4.707  -19.524 1.00 11.99 ? 177 PHE   B O   1 
ATOM   1458 C CB  . PHE   A 1 171 ? -43.155 -6.574  -21.618 1.00 12.98 ? 177 PHE   B CB  1 
ATOM   1459 C CG  . PHE   A 1 171 ? -43.266 -7.475  -22.823 1.00 13.56 ? 177 PHE   B CG  1 
ATOM   1460 C CD1 . PHE   A 1 171 ? -43.653 -6.989  -24.051 1.00 16.01 ? 177 PHE   B CD1 1 
ATOM   1461 C CD2 . PHE   A 1 171 ? -43.000 -8.830  -22.713 1.00 14.51 ? 177 PHE   B CD2 1 
ATOM   1462 C CE1 . PHE   A 1 171 ? -43.716 -7.842  -25.160 1.00 15.71 ? 177 PHE   B CE1 1 
ATOM   1463 C CE2 . PHE   A 1 171 ? -43.095 -9.683  -23.810 1.00 16.38 ? 177 PHE   B CE2 1 
ATOM   1464 C CZ  . PHE   A 1 171 ? -43.475 -9.183  -25.011 1.00 15.62 ? 177 PHE   B CZ  1 
ATOM   1465 N N   . ASN   A 1 172 ? -42.764 -3.660  -20.779 1.00 12.37 ? 178 ASN   B N   1 
ATOM   1466 C CA  . ASN   A 1 172 ? -42.983 -2.561  -19.817 1.00 11.94 ? 178 ASN   B CA  1 
ATOM   1467 C C   . ASN   A 1 172 ? -44.494 -2.406  -19.623 1.00 11.85 ? 178 ASN   B C   1 
ATOM   1468 O O   . ASN   A 1 172 ? -45.011 -1.290  -19.692 1.00 13.91 ? 178 ASN   B O   1 
ATOM   1469 C CB  . ASN   A 1 172 ? -42.294 -1.299  -20.273 1.00 12.60 ? 178 ASN   B CB  1 
ATOM   1470 C CG  . ASN   A 1 172 ? -42.347 -0.218  -19.223 1.00 13.01 ? 178 ASN   B CG  1 
ATOM   1471 O OD1 . ASN   A 1 172 ? -42.434 -0.466  -18.033 1.00 13.00 ? 178 ASN   B OD1 1 
ATOM   1472 N ND2 . ASN   A 1 172 ? -42.325 1.019   -19.696 1.00 14.63 ? 178 ASN   B ND2 1 
ATOM   1473 N N   . TYR   A 1 173 ? -45.169 -3.441  -19.239 1.00 12.59 ? 179 TYR   B N   1 
ATOM   1474 C CA  . TYR   A 1 173 ? -46.605 -3.384  -18.848 1.00 12.11 ? 179 TYR   B CA  1 
ATOM   1475 C C   . TYR   A 1 173 ? -46.756 -2.588  -17.563 1.00 13.62 ? 179 TYR   B C   1 
ATOM   1476 O O   . TYR   A 1 173 ? -47.845 -1.956  -17.339 1.00 14.11 ? 179 TYR   B O   1 
ATOM   1477 C CB  . TYR   A 1 173 ? -47.174 -4.796  -18.656 1.00 12.82 ? 179 TYR   B CB  1 
ATOM   1478 C CG  . TYR   A 1 173 ? -47.262 -5.629  -19.913 1.00 15.61 ? 179 TYR   B CG  1 
ATOM   1479 C CD1 . TYR   A 1 173 ? -48.255 -5.384  -20.849 1.00 19.28 ? 179 TYR   B CD1 1 
ATOM   1480 C CD2 . TYR   A 1 173 ? -46.431 -6.722  -20.104 1.00 18.15 ? 179 TYR   B CD2 1 
ATOM   1481 C CE1 . TYR   A 1 173 ? -48.313 -6.107  -22.041 1.00 20.68 ? 179 TYR   B CE1 1 
ATOM   1482 C CE2 . TYR   A 1 173 ? -46.490 -7.450  -21.294 1.00 18.42 ? 179 TYR   B CE2 1 
ATOM   1483 C CZ  . TYR   A 1 173 ? -47.429 -7.142  -22.249 1.00 20.93 ? 179 TYR   B CZ  1 
ATOM   1484 O OH  . TYR   A 1 173 ? -47.586 -7.883  -23.407 1.00 25.93 ? 179 TYR   B OH  1 
ATOM   1485 N N   . SER   A 1 174 ? -45.814 -2.596  -16.637 1.00 12.13 ? 180 SER   B N   1 
ATOM   1486 C CA  . SER   A 1 174 ? -45.915 -2.005  -15.291 1.00 13.44 ? 180 SER   B CA  1 
ATOM   1487 C C   . SER   A 1 174 ? -45.646 -0.492  -15.327 1.00 13.12 ? 180 SER   B C   1 
ATOM   1488 O O   . SER   A 1 174 ? -45.949 0.185   -14.324 1.00 14.99 ? 180 SER   B O   1 
ATOM   1489 C CB  . SER   A 1 174 ? -44.952 -2.639  -14.343 1.00 13.66 ? 180 SER   B CB  1 
ATOM   1490 O OG  . SER   A 1 174 ? -43.611 -2.349  -14.772 1.00 13.75 ? 180 SER   B OG  1 
ATOM   1491 N N   . GLY   A 1 175 ? -44.979 0.007   -16.357 1.00 12.59 ? 181 GLY   B N   1 
ATOM   1492 C CA  . GLY   A 1 175 ? -44.477 1.392   -16.312 1.00 12.78 ? 181 GLY   B CA  1 
ATOM   1493 C C   . GLY   A 1 175 ? -43.220 1.544   -15.481 1.00 13.89 ? 181 GLY   B C   1 
ATOM   1494 O O   . GLY   A 1 175 ? -42.730 2.673   -15.362 1.00 16.48 ? 181 GLY   B O   1 
ATOM   1495 N N   . GLY   A 1 176 ? -42.683 0.465   -14.909 1.00 13.20 ? 182 GLY   B N   1 
ATOM   1496 C CA  . GLY   A 1 176 ? -41.460 0.475   -14.090 1.00 13.29 ? 182 GLY   B CA  1 
ATOM   1497 C C   . GLY   A 1 176 ? -40.252 -0.150  -14.783 1.00 13.76 ? 182 GLY   B C   1 
ATOM   1498 O O   . GLY   A 1 176 ? -39.188 -0.203  -14.130 1.00 15.18 ? 182 GLY   B O   1 
ATOM   1499 N N   . ASN   A 1 177 ? -40.375 -0.552  -16.036 1.00 11.63 ? 183 ASN   B N   1 
ATOM   1500 C CA  . ASN   A 1 177 ? -39.278 -1.264  -16.724 1.00 11.61 ? 183 ASN   B CA  1 
ATOM   1501 C C   . ASN   A 1 177 ? -38.834 -0.564  -18.003 1.00 11.57 ? 183 ASN   B C   1 
ATOM   1502 O O   . ASN   A 1 177 ? -38.294 -1.234  -18.889 1.00 12.85 ? 183 ASN   B O   1 
ATOM   1503 C CB  . ASN   A 1 177 ? -39.669 -2.706  -17.057 1.00 11.42 ? 183 ASN   B CB  1 
ATOM   1504 C CG  . ASN   A 1 177 ? -38.457 -3.583  -17.337 1.00 11.36 ? 183 ASN   B CG  1 
ATOM   1505 O OD1 . ASN   A 1 177 ? -37.413 -3.390  -16.714 1.00 12.02 ? 183 ASN   B OD1 1 
ATOM   1506 N ND2 . ASN   A 1 177 ? -38.624 -4.504  -18.279 1.00 11.95 ? 183 ASN   B ND2 1 
ATOM   1507 N N   . ALA   A 1 178 ? -38.930 0.753   -18.083 1.00 11.84 ? 184 ALA   B N   1 
ATOM   1508 C CA  . ALA   A 1 178 ? -38.528 1.492   -19.306 1.00 12.79 ? 184 ALA   B CA  1 
ATOM   1509 C C   . ALA   A 1 178 ? -37.007 1.643   -19.443 1.00 12.74 ? 184 ALA   B C   1 
ATOM   1510 O O   . ALA   A 1 178 ? -36.562 1.917   -20.559 1.00 14.63 ? 184 ALA   B O   1 
ATOM   1511 C CB  . ALA   A 1 178 ? -39.153 2.903   -19.291 1.00 14.23 ? 184 ALA   B CB  1 
ATOM   1512 N N   . ALA   A 1 179 ? -36.258 1.459   -18.367 1.00 12.23 ? 185 ALA   B N   1 
ATOM   1513 C CA  . ALA   A 1 179 ? -34.807 1.757   -18.420 1.00 12.56 ? 185 ALA   B CA  1 
ATOM   1514 C C   . ALA   A 1 179 ? -34.119 0.878   -19.475 1.00 13.10 ? 185 ALA   B C   1 
ATOM   1515 O O   . ALA   A 1 179 ? -34.484 -0.286  -19.731 1.00 12.60 ? 185 ALA   B O   1 
ATOM   1516 C CB  . ALA   A 1 179 ? -34.165 1.597   -17.063 1.00 13.33 ? 185 ALA   B CB  1 
ATOM   1517 N N   . PRO   A 1 180 ? -33.012 1.366   -20.060 1.00 12.55 ? 186 PRO   B N   1 
ATOM   1518 C CA  . PRO   A 1 180 ? -32.272 0.597   -21.072 1.00 12.72 ? 186 PRO   B CA  1 
ATOM   1519 C C   . PRO   A 1 180 ? -31.341 -0.494  -20.500 1.00 11.49 ? 186 PRO   B C   1 
ATOM   1520 O O   . PRO   A 1 180 ? -31.014 -0.472  -19.332 1.00 12.38 ? 186 PRO   B O   1 
ATOM   1521 C CB  . PRO   A 1 180 ? -31.383 1.681   -21.727 1.00 13.45 ? 186 PRO   B CB  1 
ATOM   1522 C CG  . PRO   A 1 180 ? -31.133 2.665   -20.610 1.00 15.72 ? 186 PRO   B CG  1 
ATOM   1523 C CD  . PRO   A 1 180 ? -32.463 2.723   -19.866 1.00 14.46 ? 186 PRO   B CD  1 
ATOM   1524 N N   . LEU   A 1 181 ? -30.976 -1.428  -21.367 1.00 12.46 ? 187 LEU   B N   1 
ATOM   1525 C CA  . LEU   A 1 181 ? -29.725 -2.207  -21.197 1.00 12.00 ? 187 LEU   B CA  1 
ATOM   1526 C C   . LEU   A 1 181 ? -28.591 -1.410  -21.841 1.00 12.36 ? 187 LEU   B C   1 
ATOM   1527 O O   . LEU   A 1 181 ? -28.784 -0.877  -22.958 1.00 14.68 ? 187 LEU   B O   1 
ATOM   1528 C CB  . LEU   A 1 181 ? -29.870 -3.565  -21.841 1.00 11.89 ? 187 LEU   B CB  1 
ATOM   1529 C CG  . LEU   A 1 181 ? -30.900 -4.504  -21.208 1.00 12.92 ? 187 LEU   B CG  1 
ATOM   1530 C CD1 . LEU   A 1 181 ? -31.065 -5.792  -22.004 1.00 13.75 ? 187 LEU   B CD1 1 
ATOM   1531 C CD2 . LEU   A 1 181 ? -30.559 -4.884  -19.794 1.00 13.85 ? 187 LEU   B CD2 1 
ATOM   1532 N N   . LYS   A 1 182 ? -27.455 -1.330  -21.167 1.00 12.76 ? 188 LYS   B N   1 
ATOM   1533 C CA  . LYS   A 1 182 ? -26.299 -0.578  -21.705 1.00 13.16 ? 188 LYS   B CA  1 
ATOM   1534 C C   . LYS   A 1 182 ? -25.079 -1.480  -21.675 1.00 14.03 ? 188 LYS   B C   1 
ATOM   1535 O O   . LYS   A 1 182 ? -24.741 -2.019  -20.586 1.00 13.91 ? 188 LYS   B O   1 
ATOM   1536 C CB  . LYS   A 1 182 ? -26.027 0.715   -20.925 1.00 15.30 ? 188 LYS   B CB  1 
ATOM   1537 C CG  . LYS   A 1 182 ? -27.195 1.665   -20.752 1.00 17.98 ? 188 LYS   B CG  1 
ATOM   1538 C CD  . LYS   A 1 182 ? -26.768 2.964   -20.069 1.00 22.51 ? 188 LYS   B CD  1 
ATOM   1539 C CE  . LYS   A 1 182 ? -27.909 3.866   -19.672 1.00 27.20 ? 188 LYS   B CE  1 
ATOM   1540 N NZ  . LYS   A 1 182 ? -27.379 5.002   -18.879 1.00 32.79 ? 188 LYS   B NZ  1 
ATOM   1541 N N   . LEU   A 1 183 ? -24.333 -1.524  -22.752 1.00 13.77 ? 189 LEU   B N   1 
ATOM   1542 C CA  . LEU   A 1 183 ? -22.983 -2.171  -22.751 1.00 13.59 ? 189 LEU   B CA  1 
ATOM   1543 C C   . LEU   A 1 183 ? -21.990 -1.243  -22.073 1.00 15.50 ? 189 LEU   B C   1 
ATOM   1544 O O   . LEU   A 1 183 ? -21.806 -0.100  -22.594 1.00 18.84 ? 189 LEU   B O   1 
ATOM   1545 C CB  . LEU   A 1 183 ? -22.616 -2.542  -24.185 1.00 14.85 ? 189 LEU   B CB  1 
ATOM   1546 C CG  . LEU   A 1 183 ? -23.361 -3.793  -24.669 1.00 16.07 ? 189 LEU   B CG  1 
ATOM   1547 C CD1 . LEU   A 1 183 ? -23.558 -3.868  -26.170 1.00 19.67 ? 189 LEU   B CD1 1 
ATOM   1548 C CD2 . LEU   A 1 183 ? -22.737 -5.078  -24.114 1.00 14.28 ? 189 LEU   B CD2 1 
ATOM   1549 N N   . CYS   A 1 184 ? -21.373 -1.713  -20.994 1.00 16.51 ? 190 CYS   B N   1 
ATOM   1550 C CA  . CYS   A 1 184 ? -20.453 -0.875  -20.183 1.00 19.68 ? 190 CYS   B CA  1 
ATOM   1551 C C   . CYS   A 1 184 ? -19.102 -0.775  -20.851 1.00 20.34 ? 190 CYS   B C   1 
ATOM   1552 O O   . CYS   A 1 184 ? -18.620 -1.711  -21.449 1.00 20.69 ? 190 CYS   B O   1 
ATOM   1553 C CB  . CYS   A 1 184 ? -20.158 -1.531  -18.855 1.00 20.79 ? 190 CYS   B CB  1 
ATOM   1554 S SG  . CYS   A 1 184 ? -21.604 -2.060  -17.951 1.00 21.73 ? 190 CYS   B SG  1 
ATOM   1555 N N   . PRO   A 1 185 ? -18.415 0.369   -20.679 1.00 25.65 ? 191 PRO   B N   1 
ATOM   1556 C CA  . PRO   A 1 185 ? -17.096 0.549   -21.240 1.00 29.53 ? 191 PRO   B CA  1 
ATOM   1557 C C   . PRO   A 1 185 ? -16.102 -0.403  -20.568 1.00 27.97 ? 191 PRO   B C   1 
ATOM   1558 O O   . PRO   A 1 185 ? -16.246 -0.705  -19.386 1.00 29.50 ? 191 PRO   B O   1 
ATOM   1559 C CB  . PRO   A 1 185 ? -16.820 2.045   -20.981 1.00 29.23 ? 191 PRO   B CB  1 
ATOM   1560 C CG  . PRO   A 1 185 ? -17.718 2.447   -19.848 1.00 30.20 ? 191 PRO   B CG  1 
ATOM   1561 C CD  . PRO   A 1 185 ? -18.931 1.557   -19.978 1.00 27.11 ? 191 PRO   B CD  1 
ATOM   1562 N N   . LEU   A 1 186 ? -15.132 -0.817  -21.377 1.00 32.62 ? 192 LEU   B N   1 
ATOM   1563 C CA  . LEU   A 1 186 ? -13.883 -1.546  -21.038 1.00 36.72 ? 192 LEU   B CA  1 
ATOM   1564 C C   . LEU   A 1 186 ? -12.963 -0.646  -20.211 1.00 39.23 ? 192 LEU   B C   1 
ATOM   1565 O O   . LEU   A 1 186 ? -12.353 -1.161  -19.268 1.00 50.07 ? 192 LEU   B O   1 
ATOM   1566 C CB  . LEU   A 1 186 ? -13.199 -1.916  -22.359 1.00 36.62 ? 192 LEU   B CB  1 
HETATM 1567 C C1  . EDO   B 2 .   ? -45.280 -3.614  -23.189 0.65 35.06 ? 201 EDO   B C1  1 
HETATM 1568 O O1  . EDO   B 2 .   ? -43.950 -3.140  -23.226 0.65 28.67 ? 201 EDO   B O1  1 
HETATM 1569 C C2  . EDO   B 2 .   ? -46.271 -2.627  -23.657 0.65 37.89 ? 201 EDO   B C2  1 
HETATM 1570 O O2  . EDO   B 2 .   ? -46.097 -1.343  -23.087 0.65 44.07 ? 201 EDO   B O2  1 
HETATM 1571 N N1  . A1BFQ C 3 .   ? -47.148 -5.647  -28.604 0.65 29.87 ? 202 A1BFQ B N1  1 
HETATM 1572 N N3  . A1BFQ C 3 .   ? -42.612 -5.700  -29.051 0.65 26.68 ? 202 A1BFQ B N3  1 
HETATM 1573 C C4  . A1BFQ C 3 .   ? -44.977 -5.801  -29.168 0.65 29.25 ? 202 A1BFQ B C4  1 
HETATM 1574 C C5  . A1BFQ C 3 .   ? -43.702 -6.008  -29.738 0.65 27.22 ? 202 A1BFQ B C5  1 
HETATM 1575 C C6  . A1BFQ C 3 .   ? -43.866 -4.990  -27.204 0.65 30.16 ? 202 A1BFQ B C6  1 
HETATM 1576 C C7  . A1BFQ C 3 .   ? -45.053 -5.289  -27.871 0.65 29.14 ? 202 A1BFQ B C7  1 
HETATM 1577 C C1  . A1BFQ C 3 .   ? -47.094 -4.728  -26.323 0.65 32.19 ? 202 A1BFQ B C1  1 
HETATM 1578 C C2  . A1BFQ C 3 .   ? -46.440 -5.205  -27.576 0.65 30.17 ? 202 A1BFQ B C2  1 
HETATM 1579 C C3  . A1BFQ C 3 .   ? -46.730 -6.525  -30.853 0.65 32.15 ? 202 A1BFQ B C3  1 
HETATM 1580 N N2  . A1BFQ C 3 .   ? -46.261 -6.015  -29.577 0.65 30.58 ? 202 A1BFQ B N2  1 
HETATM 1581 N N4  . A1BFQ C 3 .   ? -42.701 -5.194  -27.794 0.65 28.24 ? 202 A1BFQ B N4  1 
HETATM 1582 O O1  . A1BFQ C 3 .   ? -43.548 -6.506  -30.966 0.65 26.97 ? 202 A1BFQ B O1  1 
HETATM 1583 N N1  . EPE   D 4 .   ? -38.867 -15.536 -19.767 1.00 40.76 ? 203 EPE   B N1  1 
HETATM 1584 C C2  . EPE   D 4 .   ? -38.040 -15.287 -18.579 1.00 37.24 ? 203 EPE   B C2  1 
HETATM 1585 C C3  . EPE   D 4 .   ? -38.105 -13.848 -18.130 1.00 32.42 ? 203 EPE   B C3  1 
HETATM 1586 N N4  . EPE   D 4 .   ? -37.742 -12.920 -19.214 1.00 33.11 ? 203 EPE   B N4  1 
HETATM 1587 C C5  . EPE   D 4 .   ? -38.598 -13.171 -20.377 1.00 36.26 ? 203 EPE   B C5  1 
HETATM 1588 C C6  . EPE   D 4 .   ? -38.464 -14.602 -20.832 1.00 39.44 ? 203 EPE   B C6  1 
HETATM 1589 C C7  . EPE   D 4 .   ? -37.864 -11.538 -18.752 1.00 29.44 ? 203 EPE   B C7  1 
HETATM 1590 C C8  . EPE   D 4 .   ? -37.796 -10.484 -19.846 1.00 28.12 ? 203 EPE   B C8  1 
HETATM 1591 O O8  . EPE   D 4 .   ? -39.020 -10.365 -20.562 1.00 25.66 ? 203 EPE   B O8  1 
HETATM 1592 C C9  . EPE   D 4 .   ? -38.683 -16.916 -20.228 1.00 43.25 ? 203 EPE   B C9  1 
HETATM 1593 C C10 . EPE   D 4 .   ? -39.825 -17.867 -19.893 1.00 43.94 ? 203 EPE   B C10 1 
HETATM 1594 S S   . EPE   D 4 .   ? -39.439 -19.461 -20.570 1.00 43.91 ? 203 EPE   B S   1 
HETATM 1595 O O1S . EPE   D 4 .   ? -39.573 -20.393 -19.484 1.00 44.95 ? 203 EPE   B O1S 1 
HETATM 1596 O O2S . EPE   D 4 .   ? -38.163 -19.265 -21.214 1.00 35.81 ? 203 EPE   B O2S 1 
HETATM 1597 O O3S . EPE   D 4 .   ? -40.585 -19.647 -21.611 1.00 43.66 ? 203 EPE   B O3S 1 
HETATM 1598 C C1  . EDO   E 2 .   ? -50.491 -16.739 -33.129 1.00 30.40 ? 204 EDO   B C1  1 
HETATM 1599 O O1  . EDO   E 2 .   ? -49.096 -16.470 -33.028 1.00 30.24 ? 204 EDO   B O1  1 
HETATM 1600 C C2  . EDO   E 2 .   ? -51.050 -17.049 -31.825 1.00 36.77 ? 204 EDO   B C2  1 
HETATM 1601 O O2  . EDO   E 2 .   ? -51.485 -15.858 -31.231 1.00 48.07 ? 204 EDO   B O2  1 
HETATM 1602 S S   . SO4   F 5 .   ? -40.427 -24.549 -26.288 1.00 39.16 ? 205 SO4   B S   1 
HETATM 1603 O O1  . SO4   F 5 .   ? -39.685 -23.576 -27.030 1.00 25.66 ? 205 SO4   B O1  1 
HETATM 1604 O O2  . SO4   F 5 .   ? -41.359 -25.220 -27.147 1.00 46.03 ? 205 SO4   B O2  1 
HETATM 1605 O O3  . SO4   F 5 .   ? -39.483 -25.506 -25.740 1.00 45.46 ? 205 SO4   B O3  1 
HETATM 1606 O O4  . SO4   F 5 .   ? -41.146 -23.915 -25.199 1.00 40.41 ? 205 SO4   B O4  1 
HETATM 1607 O O   . HOH   G 6 .   ? -38.646 -15.302 -11.640 1.00 32.11 ? 301 HOH   B O   1 
HETATM 1608 O O   . HOH   G 6 .   ? -26.896 -28.451 -27.795 1.00 23.97 ? 302 HOH   B O   1 
HETATM 1609 O O   . HOH   G 6 .   ? -22.646 -1.787  -9.752  1.00 27.24 ? 303 HOH   B O   1 
HETATM 1610 O O   . HOH   G 6 .   ? -47.035 -16.834 -31.753 1.00 24.02 ? 304 HOH   B O   1 
HETATM 1611 O O   . HOH   G 6 .   ? -45.584 3.677   -34.044 1.00 19.47 ? 305 HOH   B O   1 
HETATM 1612 O O   . HOH   G 6 .   ? -40.087 -1.137  -9.726  1.00 31.26 ? 306 HOH   B O   1 
HETATM 1613 O O   . HOH   G 6 .   ? -32.884 1.076   -33.493 1.00 21.12 ? 307 HOH   B O   1 
HETATM 1614 O O   . HOH   G 6 .   ? -13.437 -23.513 -31.546 1.00 15.88 ? 308 HOH   B O   1 
HETATM 1615 O O   . HOH   G 6 .   ? -18.671 -21.960 -35.707 1.00 17.96 ? 309 HOH   B O   1 
HETATM 1616 O O   . HOH   G 6 .   ? -38.441 0.631   -11.839 1.00 36.22 ? 310 HOH   B O   1 
HETATM 1617 O O   . HOH   G 6 .   ? -29.491 -12.435 -37.706 1.00 23.04 ? 311 HOH   B O   1 
HETATM 1618 O O   . HOH   G 6 .   ? -37.969 2.820   -22.682 1.00 19.83 ? 312 HOH   B O   1 
HETATM 1619 O O   . HOH   G 6 .   ? -15.528 -5.357  -13.662 1.00 31.65 ? 313 HOH   B O   1 
HETATM 1620 O O   . HOH   G 6 .   ? -36.244 5.547   -15.836 1.00 22.55 ? 314 HOH   B O   1 
HETATM 1621 O O   . HOH   G 6 .   ? -45.124 7.360   -24.749 1.00 36.39 ? 315 HOH   B O   1 
HETATM 1622 O O   . HOH   G 6 .   ? -35.858 -22.454 -19.562 1.00 25.10 ? 316 HOH   B O   1 
HETATM 1623 O O   . HOH   G 6 .   ? -36.813 -16.257 -39.345 1.00 27.37 ? 317 HOH   B O   1 
HETATM 1624 O O   . HOH   G 6 .   ? -47.032 1.285   -25.450 1.00 27.25 ? 318 HOH   B O   1 
HETATM 1625 O O   . HOH   G 6 .   ? -45.470 0.086   -11.733 1.00 19.82 ? 319 HOH   B O   1 
HETATM 1626 O O   . HOH   G 6 .   ? -39.931 -11.600 -22.709 1.00 31.05 ? 320 HOH   B O   1 
HETATM 1627 O O   . HOH   G 6 .   ? -12.687 -21.277 -18.651 1.00 30.04 ? 321 HOH   B O   1 
HETATM 1628 O O   . HOH   G 6 .   ? -24.601 -30.918 -21.902 1.00 35.74 ? 322 HOH   B O   1 
HETATM 1629 O O   . HOH   G 6 .   ? -26.130 3.465   -35.260 1.00 30.89 ? 323 HOH   B O   1 
HETATM 1630 O O   . HOH   G 6 .   ? -36.612 -23.014 -30.720 1.00 33.34 ? 324 HOH   B O   1 
HETATM 1631 O O   . HOH   G 6 .   ? -43.844 -0.686  -24.344 1.00 29.50 ? 325 HOH   B O   1 
HETATM 1632 O O   . HOH   G 6 .   ? -35.698 -19.155 -30.451 1.00 30.52 ? 326 HOH   B O   1 
HETATM 1633 O O   . HOH   G 6 .   ? -30.733 -6.655  -11.274 1.00 15.65 ? 327 HOH   B O   1 
HETATM 1634 O O   . HOH   G 6 .   ? -19.228 -29.672 -15.616 1.00 29.40 ? 328 HOH   B O   1 
HETATM 1635 O O   . HOH   G 6 .   ? -17.565 -21.289 -12.409 1.00 18.69 ? 329 HOH   B O   1 
HETATM 1636 O O   . HOH   G 6 .   ? -42.943 -15.331 -10.126 1.00 23.36 ? 330 HOH   B O   1 
HETATM 1637 O O   . HOH   G 6 .   ? -36.714 -26.028 -23.714 1.00 33.76 ? 331 HOH   B O   1 
HETATM 1638 O O   . HOH   G 6 .   ? -25.858 -22.655 -35.712 1.00 26.49 ? 332 HOH   B O   1 
HETATM 1639 O O   . HOH   G 6 .   ? -16.130 -19.580 -15.676 1.00 25.35 ? 333 HOH   B O   1 
HETATM 1640 O O   . HOH   G 6 .   ? -49.654 -1.738  -19.348 1.00 24.93 ? 334 HOH   B O   1 
HETATM 1641 O O   . HOH   G 6 .   ? -30.822 -20.289 -21.294 1.00 13.20 ? 335 HOH   B O   1 
HETATM 1642 O O   . HOH   G 6 .   ? -38.657 -2.478  -21.274 1.00 15.59 ? 336 HOH   B O   1 
HETATM 1643 O O   . HOH   G 6 .   ? -17.539 -27.603 -19.609 1.00 20.15 ? 337 HOH   B O   1 
HETATM 1644 O O   . HOH   G 6 .   ? -37.248 -25.528 -11.349 1.00 36.17 ? 338 HOH   B O   1 
HETATM 1645 O O   . HOH   G 6 .   ? -38.481 -7.607  -10.712 1.00 16.20 ? 339 HOH   B O   1 
HETATM 1646 O O   . HOH   G 6 .   ? -26.527 -25.684 -16.359 1.00 18.42 ? 340 HOH   B O   1 
HETATM 1647 O O   . HOH   G 6 .   ? -16.682 -5.576  -9.327  1.00 33.44 ? 341 HOH   B O   1 
HETATM 1648 O O   . HOH   G 6 .   ? -30.696 1.188   -16.998 1.00 25.28 ? 342 HOH   B O   1 
HETATM 1649 O O   . HOH   G 6 .   ? -30.195 -23.871 -34.019 1.00 23.81 ? 343 HOH   B O   1 
HETATM 1650 O O   . HOH   G 6 .   ? -45.089 -12.362 -26.514 1.00 28.58 ? 344 HOH   B O   1 
HETATM 1651 O O   . HOH   G 6 .   ? -18.472 -4.601  -24.654 1.00 18.20 ? 345 HOH   B O   1 
HETATM 1652 O O   . HOH   G 6 .   ? -38.381 3.793   -42.091 1.00 27.05 ? 346 HOH   B O   1 
HETATM 1653 O O   . HOH   G 6 .   ? -8.918  -13.443 -25.246 1.00 34.24 ? 347 HOH   B O   1 
HETATM 1654 O O   . HOH   G 6 .   ? -19.356 -4.296  -22.032 1.00 16.16 ? 348 HOH   B O   1 
HETATM 1655 O O   . HOH   G 6 .   ? -21.109 -5.986  -2.118  1.00 45.46 ? 349 HOH   B O   1 
HETATM 1656 O O   . HOH   G 6 .   ? -23.240 4.351   -24.599 1.00 25.35 ? 350 HOH   B O   1 
HETATM 1657 O O   . HOH   G 6 .   ? -13.558 -21.027 -35.166 1.00 30.76 ? 351 HOH   B O   1 
HETATM 1658 O O   . HOH   G 6 .   ? -40.893 -9.271  -36.656 1.00 24.21 ? 352 HOH   B O   1 
HETATM 1659 O O   . HOH   G 6 .   ? -35.450 -17.099 -8.122  1.00 44.10 ? 353 HOH   B O   1 
HETATM 1660 O O   . HOH   G 6 .   ? -19.788 1.866   -30.523 1.00 32.69 ? 354 HOH   B O   1 
HETATM 1661 O O   . HOH   G 6 .   ? -26.496 1.928   -10.952 1.00 26.92 ? 355 HOH   B O   1 
HETATM 1662 O O   . HOH   G 6 .   ? -17.870 -19.819 -37.473 1.00 28.87 ? 356 HOH   B O   1 
HETATM 1663 O O   . HOH   G 6 .   ? -34.060 -21.942 -31.360 1.00 19.38 ? 357 HOH   B O   1 
HETATM 1664 O O   . HOH   G 6 .   ? -36.206 -1.808  -33.732 1.00 18.91 ? 358 HOH   B O   1 
HETATM 1665 O O   . HOH   G 6 .   ? -25.657 -14.170 -3.079  1.00 32.25 ? 359 HOH   B O   1 
HETATM 1666 O O   . HOH   G 6 .   ? -23.812 1.206   -10.718 1.00 31.98 ? 360 HOH   B O   1 
HETATM 1667 O O   . HOH   G 6 .   ? -10.826 -21.129 -25.038 1.00 30.38 ? 361 HOH   B O   1 
HETATM 1668 O O   . HOH   G 6 .   ? -28.362 -21.552 -8.912  1.00 18.43 ? 362 HOH   B O   1 
HETATM 1669 O O   . HOH   G 6 .   ? -42.183 -3.862  -39.388 1.00 22.29 ? 363 HOH   B O   1 
HETATM 1670 O O   . HOH   G 6 .   ? -33.808 5.068   -17.119 1.00 39.01 ? 364 HOH   B O   1 
HETATM 1671 O O   . HOH   G 6 .   ? -42.516 -5.740  -12.203 1.00 20.85 ? 365 HOH   B O   1 
HETATM 1672 O O   . HOH   G 6 .   ? -32.711 -18.023 -37.265 1.00 32.01 ? 366 HOH   B O   1 
HETATM 1673 O O   . HOH   G 6 .   ? -26.692 -17.605 -7.732  1.00 17.36 ? 367 HOH   B O   1 
HETATM 1674 O O   . HOH   G 6 .   ? -40.701 -14.498 -8.478  1.00 28.01 ? 368 HOH   B O   1 
HETATM 1675 O O   . HOH   G 6 .   ? -40.248 -14.305 -31.347 1.00 14.72 ? 369 HOH   B O   1 
HETATM 1676 O O   . HOH   G 6 .   ? -36.933 0.780   -15.484 1.00 16.93 ? 370 HOH   B O   1 
HETATM 1677 O O   . HOH   G 6 .   ? -10.317 -23.531 -21.761 1.00 28.94 ? 371 HOH   B O   1 
HETATM 1678 O O   . HOH   G 6 .   ? -32.242 -4.944  -12.902 1.00 13.70 ? 372 HOH   B O   1 
HETATM 1679 O O   . HOH   G 6 .   ? -20.868 -16.359 -5.505  1.00 18.97 ? 373 HOH   B O   1 
HETATM 1680 O O   . HOH   G 6 .   ? -23.202 2.316   -22.986 1.00 28.23 ? 374 HOH   B O   1 
HETATM 1681 O O   . HOH   G 6 .   ? -9.406  -18.505 -30.184 1.00 43.15 ? 375 HOH   B O   1 
HETATM 1682 O O   . HOH   G 6 .   ? -27.120 -20.249 -6.985  1.00 18.27 ? 376 HOH   B O   1 
HETATM 1683 O O   . HOH   G 6 .   ? -36.391 -0.970  -22.036 1.00 14.59 ? 377 HOH   B O   1 
HETATM 1684 O O   . HOH   G 6 .   ? -27.790 -27.505 -25.755 1.00 29.52 ? 378 HOH   B O   1 
HETATM 1685 O O   . HOH   G 6 .   ? -19.143 -29.141 -23.423 1.00 25.69 ? 379 HOH   B O   1 
HETATM 1686 O O   . HOH   G 6 .   ? -41.551 1.506   -22.387 1.00 32.00 ? 380 HOH   B O   1 
HETATM 1687 O O   . HOH   G 6 .   ? -39.749 6.308   -26.132 1.00 39.78 ? 381 HOH   B O   1 
HETATM 1688 O O   . HOH   G 6 .   ? -41.033 -8.782  -19.310 1.00 15.72 ? 382 HOH   B O   1 
HETATM 1689 O O   . HOH   G 6 .   ? -9.401  -20.778 -28.829 1.00 37.36 ? 383 HOH   B O   1 
HETATM 1690 O O   . HOH   G 6 .   ? -18.268 -17.305 -36.238 1.00 27.17 ? 384 HOH   B O   1 
HETATM 1691 O O   . HOH   G 6 .   ? -33.413 -1.810  -38.320 1.00 26.23 ? 385 HOH   B O   1 
HETATM 1692 O O   . HOH   G 6 .   ? -23.950 -12.330 -6.547  1.00 20.20 ? 386 HOH   B O   1 
HETATM 1693 O O   . HOH   G 6 .   ? -33.953 -21.902 -36.502 1.00 39.06 ? 387 HOH   B O   1 
HETATM 1694 O O   . HOH   G 6 .   ? -45.673 -19.591 -31.596 1.00 24.90 ? 388 HOH   B O   1 
HETATM 1695 O O   . HOH   G 6 .   ? -25.275 -10.445 -23.544 1.00 13.53 ? 389 HOH   B O   1 
HETATM 1696 O O   . HOH   G 6 .   ? -23.722 -21.055 -38.765 1.00 22.45 ? 390 HOH   B O   1 
HETATM 1697 O O   . HOH   G 6 .   ? -17.818 -4.293  -5.961  1.00 38.59 ? 391 HOH   B O   1 
HETATM 1698 O O   . HOH   G 6 .   ? -45.852 -4.308  -33.814 1.00 20.62 ? 392 HOH   B O   1 
HETATM 1699 O O   . HOH   G 6 .   ? -31.426 3.438   -26.804 1.00 23.18 ? 393 HOH   B O   1 
HETATM 1700 O O   . HOH   G 6 .   ? -33.377 -14.899 -6.950  1.00 22.30 ? 394 HOH   B O   1 
HETATM 1701 O O   . HOH   G 6 .   ? -45.712 -14.633 -27.523 1.00 35.19 ? 395 HOH   B O   1 
HETATM 1702 O O   . HOH   G 6 .   ? -35.458 -4.584  -42.069 1.00 22.95 ? 396 HOH   B O   1 
HETATM 1703 O O   . HOH   G 6 .   ? -25.724 -26.975 -23.833 1.00 19.71 ? 397 HOH   B O   1 
HETATM 1704 O O   . HOH   G 6 .   ? -40.997 -5.923  -37.945 1.00 28.28 ? 398 HOH   B O   1 
HETATM 1705 O O   . HOH   G 6 .   ? -39.895 2.752   -16.043 1.00 17.06 ? 399 HOH   B O   1 
HETATM 1706 O O   . HOH   G 6 .   ? -41.445 -8.478  -13.243 1.00 20.83 ? 400 HOH   B O   1 
HETATM 1707 O O   . HOH   G 6 .   ? -14.931 -19.734 -37.506 1.00 25.60 ? 401 HOH   B O   1 
HETATM 1708 O O   . HOH   G 6 .   ? -12.668 -18.477 -34.734 1.00 38.00 ? 402 HOH   B O   1 
HETATM 1709 O O   . HOH   G 6 .   ? -52.443 -14.177 -29.018 1.00 43.25 ? 403 HOH   B O   1 
HETATM 1710 O O   . HOH   G 6 .   ? -14.431 -16.479 -33.080 1.00 30.05 ? 404 HOH   B O   1 
HETATM 1711 O O   . HOH   G 6 .   ? -9.320  -15.948 -26.460 1.00 28.65 ? 405 HOH   B O   1 
HETATM 1712 O O   . HOH   G 6 .   ? -24.826 -15.000 -6.818  1.00 17.07 ? 406 HOH   B O   1 
HETATM 1713 O O   . HOH   G 6 .   ? -40.716 6.308   -33.064 1.00 27.53 ? 407 HOH   B O   1 
HETATM 1714 O O   . HOH   G 6 .   ? -24.822 -11.075 -4.143  1.00 25.00 ? 408 HOH   B O   1 
HETATM 1715 O O   . HOH   G 6 .   ? -17.972 -16.015 -6.138  1.00 24.46 ? 409 HOH   B O   1 
HETATM 1716 O O   . HOH   G 6 .   ? -34.146 -7.077  -7.905  1.00 29.32 ? 410 HOH   B O   1 
HETATM 1717 O O   . HOH   G 6 .   ? -17.892 -11.154 -35.549 1.00 27.07 ? 411 HOH   B O   1 
HETATM 1718 O O   . HOH   G 6 .   ? -28.790 7.825   -29.972 1.00 30.77 ? 412 HOH   B O   1 
HETATM 1719 O O   . HOH   G 6 .   ? -38.597 3.939   -13.667 1.00 30.32 ? 413 HOH   B O   1 
HETATM 1720 O O   . HOH   G 6 .   ? -30.941 4.090   -24.281 1.00 23.92 ? 414 HOH   B O   1 
HETATM 1721 O O   . HOH   G 6 .   ? -15.890 -11.998 -5.510  1.00 42.23 ? 415 HOH   B O   1 
HETATM 1722 O O   . HOH   G 6 .   ? -13.206 -6.308  -29.155 1.00 34.13 ? 416 HOH   B O   1 
HETATM 1723 O O   . HOH   G 6 .   ? -42.347 -5.028  -43.665 1.00 22.83 ? 417 HOH   B O   1 
HETATM 1724 O O   . HOH   G 6 .   ? -40.349 -7.418  -34.643 1.00 21.61 ? 418 HOH   B O   1 
HETATM 1725 O O   . HOH   G 6 .   ? -25.103 7.007   -28.914 1.00 29.79 ? 419 HOH   B O   1 
HETATM 1726 O O   . HOH   G 6 .   ? -41.174 5.420   -28.338 1.00 28.77 ? 420 HOH   B O   1 
HETATM 1727 O O   . HOH   G 6 .   ? -43.282 3.753   -18.762 1.00 20.64 ? 421 HOH   B O   1 
HETATM 1728 O O   . HOH   G 6 .   ? -16.010 -14.701 -8.609  1.00 32.33 ? 422 HOH   B O   1 
HETATM 1729 O O   . HOH   G 6 .   ? -36.248 -0.173  -41.778 1.00 37.15 ? 423 HOH   B O   1 
HETATM 1730 O O   . HOH   G 6 .   ? -24.245 -4.281  -36.885 1.00 37.04 ? 424 HOH   B O   1 
HETATM 1731 O O   . HOH   G 6 .   ? -30.735 -17.344 -42.713 1.00 35.10 ? 425 HOH   B O   1 
HETATM 1732 O O   . HOH   G 6 .   ? -34.645 -9.021  -6.078  1.00 40.97 ? 426 HOH   B O   1 
HETATM 1733 O O   . HOH   G 6 .   ? -19.867 2.284   -23.909 1.00 36.56 ? 427 HOH   B O   1 
HETATM 1734 O O   . HOH   G 6 .   ? -16.040 -7.364  -11.296 1.00 31.60 ? 428 HOH   B O   1 
HETATM 1735 O O   . HOH   G 6 .   ? -47.660 0.000   -32.740 0.50 24.41 ? 429 HOH   B O   1 
HETATM 1736 O O   . HOH   G 6 .   ? -32.741 -23.556 -33.299 1.00 34.72 ? 430 HOH   B O   1 
HETATM 1737 O O   . HOH   G 6 .   ? -35.802 -2.216  -9.808  1.00 51.54 ? 431 HOH   B O   1 
HETATM 1738 O O   . HOH   G 6 .   ? -36.608 -6.611  -8.894  1.00 29.19 ? 432 HOH   B O   1 
HETATM 1739 O O   . HOH   G 6 .   ? -8.464  -22.987 -30.222 1.00 30.02 ? 433 HOH   B O   1 
HETATM 1740 O O   . HOH   G 6 .   ? -21.651 6.932   -32.214 1.00 30.80 ? 434 HOH   B O   1 
HETATM 1741 O O   . HOH   G 6 .   ? -26.236 -28.115 -21.409 1.00 40.59 ? 435 HOH   B O   1 
HETATM 1742 O O   . HOH   G 6 .   ? -40.153 5.151   -22.012 1.00 30.82 ? 436 HOH   B O   1 
HETATM 1743 O O   . HOH   G 6 .   ? -41.500 -9.695  -43.733 1.00 34.40 ? 437 HOH   B O   1 
HETATM 1744 O O   . HOH   G 6 .   ? -22.745 3.435   -20.633 1.00 38.39 ? 438 HOH   B O   1 
HETATM 1745 O O   . HOH   G 6 .   ? -36.686 2.167   -43.287 1.00 39.43 ? 439 HOH   B O   1 
HETATM 1746 O O   . HOH   G 6 .   ? -38.801 -16.531 -40.856 1.00 35.02 ? 440 HOH   B O   1 
HETATM 1747 O O   . HOH   G 6 .   ? -15.858 -22.304 -14.536 1.00 29.27 ? 441 HOH   B O   1 
HETATM 1748 O O   . HOH   G 6 .   ? -42.153 -12.974 -22.321 1.00 29.34 ? 442 HOH   B O   1 
HETATM 1749 O O   . HOH   G 6 .   ? -26.309 -31.077 -23.910 1.00 26.92 ? 443 HOH   B O   1 
HETATM 1750 O O   . HOH   G 6 .   ? -28.320 -27.690 -16.860 1.00 25.58 ? 444 HOH   B O   1 
HETATM 1751 O O   . HOH   G 6 .   ? -16.004 -26.862 -17.195 1.00 34.93 ? 445 HOH   B O   1 
# 
