data_7HNS
# 
_entry.id   7HNS 
# 
_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   7HNS         pdb_00007hns 10.2210/pdb7hns/pdb 
WWPDB D_1001407706 ?            ?                   
# 
_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                        7HNS 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-04 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.SG_entry                        ? 
_pdbx_database_status.pdb_format_compatible           Y 
_pdbx_database_status.methods_development_category    ? 
# 
_pdbx_contact_author.id                 1 
_pdbx_contact_author.email              knapp@pharmchem.uni-frankfurt.de 
_pdbx_contact_author.name_first         Stefan 
_pdbx_contact_author.name_last          Knapp 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-5995-6494 
_pdbx_contact_author.name_mi            ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Kim, Y.'                              1 
'Marples, P.'                          2 
'Fearon, D.'                           3 
'von Delft, F.'                        4 
'Knapp, S.'                            5 
'Kraemer, A.'                          6 
'Structural Genomics Consortium (SGC)' 7 
# 
_citation.id                        primary 
_citation.title                     'PanDDA analysis group deposition' 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_volume            ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.year                      ? 
_citation.journal_id_ASTM           ? 
_citation.country                   ? 
_citation.journal_id_ISSN           ? 
_citation.journal_id_CSD            0353 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_DOI      ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.identifier_ORCID 
_citation_author.ordinal 
primary 'Kim, Y.'                              ? 1 
primary 'Marples, P.'                          ? 2 
primary 'Fearon, D.'                           ? 3 
primary 'von Delft, F.'                        ? 4 
primary 'Knapp, S.'                            ? 5 
primary 'Kraemer, A.'                          ? 6 
primary 'Structural Genomics Consortium (SGC)' ? 7 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'E3 ubiquitin-protein ligase TRIM21'                                                 21596.361 1   2.3.2.27 ? ? 
? 
2 non-polymer syn 1,2-ETHANEDIOL                                                                       62.068    2   ?        ? ? 
? 
3 non-polymer syn '2-(difluoromethoxy)-1-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethan-1-one' 219.228   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    141 ?        ? ? 
? 
# 
_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 '2-(difluoromethoxy)-1-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethan-1-one' LQP 
4 '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID'                                EPE 
5 'SULFATE ION'                                                                        SO4 
6 water                                                                                HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   HIS n 
1 3   HIS n 
1 4   HIS n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   MET n 
1 9   VAL n 
1 10  HIS n 
1 11  ILE n 
1 12  THR n 
1 13  LEU n 
1 14  ASP n 
1 15  ARG n 
1 16  ASN n 
1 17  THR n 
1 18  ALA n 
1 19  ASN n 
1 20  SER n 
1 21  TRP n 
1 22  LEU n 
1 23  ILE n 
1 24  ILE n 
1 25  SER n 
1 26  LYS n 
1 27  ASP n 
1 28  ARG n 
1 29  ARG n 
1 30  GLN n 
1 31  VAL n 
1 32  ARG n 
1 33  MET n 
1 34  GLY n 
1 35  ASP n 
1 36  THR n 
1 37  HIS n 
1 38  GLN n 
1 39  ASN n 
1 40  VAL n 
1 41  SER n 
1 42  ASP n 
1 43  ASN n 
1 44  LYS n 
1 45  GLU n 
1 46  ARG n 
1 47  PHE n 
1 48  SER n 
1 49  ASN n 
1 50  TYR n 
1 51  PRO n 
1 52  MET n 
1 53  VAL n 
1 54  LEU n 
1 55  GLY n 
1 56  ALA n 
1 57  GLN n 
1 58  ARG n 
1 59  PHE n 
1 60  SER n 
1 61  SER n 
1 62  GLY n 
1 63  LYS n 
1 64  MET n 
1 65  TYR n 
1 66  TRP n 
1 67  GLU n 
1 68  VAL n 
1 69  ASP n 
1 70  VAL n 
1 71  THR n 
1 72  GLN n 
1 73  LYS n 
1 74  GLU n 
1 75  ALA n 
1 76  TRP n 
1 77  ASP n 
1 78  LEU n 
1 79  GLY n 
1 80  VAL n 
1 81  CYS n 
1 82  ARG n 
1 83  ASP n 
1 84  SER n 
1 85  VAL n 
1 86  GLN n 
1 87  ARG n 
1 88  LYS n 
1 89  GLY n 
1 90  GLN n 
1 91  PHE n 
1 92  SER n 
1 93  LEU n 
1 94  SER n 
1 95  PRO n 
1 96  GLU n 
1 97  ASN n 
1 98  GLY n 
1 99  PHE n 
1 100 TRP n 
1 101 THR n 
1 102 ILE n 
1 103 TRP n 
1 104 LEU n 
1 105 TRP n 
1 106 GLN n 
1 107 ASP n 
1 108 SER n 
1 109 TYR n 
1 110 GLU n 
1 111 ALA n 
1 112 GLY n 
1 113 THR n 
1 114 SER n 
1 115 PRO n 
1 116 GLN n 
1 117 THR n 
1 118 THR n 
1 119 LEU n 
1 120 HIS n 
1 121 ILE n 
1 122 GLN n 
1 123 VAL n 
1 124 PRO n 
1 125 PRO n 
1 126 CYS n 
1 127 GLN n 
1 128 ILE n 
1 129 GLY n 
1 130 ILE n 
1 131 PHE n 
1 132 VAL n 
1 133 ASP n 
1 134 TYR n 
1 135 GLU n 
1 136 ALA n 
1 137 GLY n 
1 138 VAL n 
1 139 VAL n 
1 140 SER n 
1 141 PHE n 
1 142 TYR n 
1 143 ASN n 
1 144 ILE n 
1 145 THR n 
1 146 ASP n 
1 147 HIS n 
1 148 GLY n 
1 149 SER n 
1 150 LEU n 
1 151 ILE n 
1 152 TYR n 
1 153 THR n 
1 154 PHE n 
1 155 SER n 
1 156 GLU n 
1 157 CYS n 
1 158 VAL n 
1 159 PHE n 
1 160 ALA n 
1 161 GLY n 
1 162 PRO n 
1 163 LEU n 
1 164 ARG n 
1 165 PRO n 
1 166 PHE n 
1 167 PHE n 
1 168 ASN n 
1 169 VAL n 
1 170 GLY n 
1 171 PHE n 
1 172 ASN n 
1 173 TYR n 
1 174 SER n 
1 175 GLY n 
1 176 GLY n 
1 177 ASN n 
1 178 ALA n 
1 179 ALA n 
1 180 PRO n 
1 181 LEU n 
1 182 LYS n 
1 183 LEU n 
1 184 CYS n 
1 185 PRO n 
1 186 LEU n 
1 187 LYS n 
1 188 MET n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   188 
_entity_src_gen.gene_src_common_name               'house mouse' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'Trim21, Ro52, Ssa1' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Mus musculus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     10090 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE                                                                              ?                 
'C3 H7 N O2'      89.093  
ARG 'L-peptide linking' y ARGININE                                                                             ?                 
'C6 H15 N4 O2 1'  175.209 
ASN 'L-peptide linking' y ASPARAGINE                                                                           ?                 
'C4 H8 N2 O3'     132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'                                                                      ?                 
'C4 H7 N O4'      133.103 
CYS 'L-peptide linking' y CYSTEINE                                                                             ?                 
'C3 H7 N O2 S'    121.158 
EDO non-polymer         . 1,2-ETHANEDIOL                                                                       'ETHYLENE GLYCOL' 
'C2 H6 O2'        62.068  
EPE non-polymer         . '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID'                                HEPES             
'C8 H18 N2 O4 S'  238.305 
GLN 'L-peptide linking' y GLUTAMINE                                                                            ?                 
'C5 H10 N2 O3'    146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'                                                                      ?                 
'C5 H9 N O4'      147.129 
GLY 'peptide linking'   y GLYCINE                                                                              ?                 
'C2 H5 N O2'      75.067  
HIS 'L-peptide linking' y HISTIDINE                                                                            ?                 
'C6 H10 N3 O2 1'  156.162 
HOH non-polymer         . WATER                                                                                ?                 
'H2 O'            18.015  
ILE 'L-peptide linking' y ISOLEUCINE                                                                           ?                 
'C6 H13 N O2'     131.173 
LEU 'L-peptide linking' y LEUCINE                                                                              ?                 
'C6 H13 N O2'     131.173 
LQP non-polymer         . '2-(difluoromethoxy)-1-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethan-1-one' ?                 
'C10 H15 F2 N O2' 219.228 
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        LQP 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   LQP 
_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 LQP 1   202 302 LQP 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 11  HOH HOH B . 
G 6 HOH 2   302 107 HOH HOH B . 
G 6 HOH 3   303 29  HOH HOH B . 
G 6 HOH 4   304 12  HOH HOH B . 
G 6 HOH 5   305 26  HOH HOH B . 
G 6 HOH 6   306 9   HOH HOH B . 
G 6 HOH 7   307 21  HOH HOH B . 
G 6 HOH 8   308 4   HOH HOH B . 
G 6 HOH 9   309 40  HOH HOH B . 
G 6 HOH 10  310 33  HOH HOH B . 
G 6 HOH 11  311 2   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 1   HOH HOH B . 
G 6 HOH 15  315 63  HOH HOH B . 
G 6 HOH 16  316 51  HOH HOH B . 
G 6 HOH 17  317 99  HOH HOH B . 
G 6 HOH 18  318 25  HOH HOH B . 
G 6 HOH 19  319 129 HOH HOH B . 
G 6 HOH 20  320 90  HOH HOH B . 
G 6 HOH 21  321 120 HOH HOH B . 
G 6 HOH 22  322 5   HOH HOH B . 
G 6 HOH 23  323 10  HOH HOH B . 
G 6 HOH 24  324 184 HOH HOH B . 
G 6 HOH 25  325 95  HOH HOH B . 
G 6 HOH 26  326 102 HOH HOH B . 
G 6 HOH 27  327 11  HOH HOH B . 
G 6 HOH 28  328 70  HOH HOH B . 
G 6 HOH 29  329 31  HOH HOH B . 
G 6 HOH 30  330 16  HOH HOH B . 
G 6 HOH 31  331 80  HOH HOH B . 
G 6 HOH 32  332 100 HOH HOH B . 
G 6 HOH 33  333 18  HOH HOH B . 
G 6 HOH 34  334 39  HOH HOH B . 
G 6 HOH 35  335 36  HOH HOH B . 
G 6 HOH 36  336 58  HOH HOH B . 
G 6 HOH 37  337 126 HOH HOH B . 
G 6 HOH 38  338 27  HOH HOH B . 
G 6 HOH 39  339 68  HOH HOH B . 
G 6 HOH 40  340 89  HOH HOH B . 
G 6 HOH 41  341 7   HOH HOH B . 
G 6 HOH 42  342 26  HOH HOH B . 
G 6 HOH 43  343 66  HOH HOH B . 
G 6 HOH 44  344 214 HOH HOH B . 
G 6 HOH 45  345 34  HOH HOH B . 
G 6 HOH 46  346 20  HOH HOH B . 
G 6 HOH 47  347 93  HOH HOH B . 
G 6 HOH 48  348 22  HOH HOH B . 
G 6 HOH 49  349 62  HOH HOH B . 
G 6 HOH 50  350 2   HOH HOH B . 
G 6 HOH 51  351 85  HOH HOH B . 
G 6 HOH 52  352 211 HOH HOH B . 
G 6 HOH 53  353 55  HOH HOH B . 
G 6 HOH 54  354 19  HOH HOH B . 
G 6 HOH 55  355 72  HOH HOH B . 
G 6 HOH 56  356 29  HOH HOH B . 
G 6 HOH 57  357 50  HOH HOH B . 
G 6 HOH 58  358 86  HOH HOH B . 
G 6 HOH 59  359 267 HOH HOH B . 
G 6 HOH 60  360 6   HOH HOH B . 
G 6 HOH 61  361 32  HOH HOH B . 
G 6 HOH 62  362 76  HOH HOH B . 
G 6 HOH 63  363 15  HOH HOH B . 
G 6 HOH 64  364 43  HOH HOH B . 
G 6 HOH 65  365 10  HOH HOH B . 
G 6 HOH 66  366 81  HOH HOH B . 
G 6 HOH 67  367 157 HOH HOH B . 
G 6 HOH 68  368 61  HOH HOH B . 
G 6 HOH 69  369 71  HOH HOH B . 
G 6 HOH 70  370 59  HOH HOH B . 
G 6 HOH 71  371 3   HOH HOH B . 
G 6 HOH 72  372 4   HOH HOH B . 
G 6 HOH 73  373 1   HOH HOH B . 
G 6 HOH 74  374 47  HOH HOH B . 
G 6 HOH 75  375 264 HOH HOH B . 
G 6 HOH 76  376 33  HOH HOH B . 
G 6 HOH 77  377 64  HOH HOH B . 
G 6 HOH 78  378 8   HOH HOH B . 
G 6 HOH 79  379 24  HOH HOH B . 
G 6 HOH 80  380 14  HOH HOH B . 
G 6 HOH 81  381 3   HOH HOH B . 
G 6 HOH 82  382 32  HOH HOH B . 
G 6 HOH 83  383 304 HOH HOH B . 
G 6 HOH 84  384 281 HOH HOH B . 
G 6 HOH 85  385 23  HOH HOH B . 
G 6 HOH 86  386 13  HOH HOH B . 
G 6 HOH 87  387 17  HOH HOH B . 
G 6 HOH 88  388 137 HOH HOH B . 
G 6 HOH 89  389 48  HOH HOH B . 
G 6 HOH 90  390 25  HOH HOH B . 
G 6 HOH 91  391 172 HOH HOH B . 
G 6 HOH 92  392 97  HOH HOH B . 
G 6 HOH 93  393 112 HOH HOH B . 
G 6 HOH 94  394 303 HOH HOH B . 
G 6 HOH 95  395 5   HOH HOH B . 
G 6 HOH 96  396 103 HOH HOH B . 
G 6 HOH 97  397 56  HOH HOH B . 
G 6 HOH 98  398 46  HOH HOH B . 
G 6 HOH 99  399 42  HOH HOH B . 
G 6 HOH 100 400 7   HOH HOH B . 
G 6 HOH 101 401 125 HOH HOH B . 
G 6 HOH 102 402 30  HOH HOH B . 
G 6 HOH 103 403 49  HOH HOH B . 
G 6 HOH 104 404 8   HOH HOH B . 
G 6 HOH 105 405 156 HOH HOH B . 
G 6 HOH 106 406 22  HOH HOH B . 
G 6 HOH 107 407 45  HOH HOH B . 
G 6 HOH 108 408 82  HOH HOH B . 
G 6 HOH 109 409 20  HOH HOH B . 
G 6 HOH 110 410 57  HOH HOH B . 
G 6 HOH 111 411 263 HOH HOH B . 
G 6 HOH 112 412 54  HOH HOH B . 
G 6 HOH 113 413 18  HOH HOH B . 
G 6 HOH 114 414 60  HOH HOH B . 
G 6 HOH 115 415 15  HOH HOH B . 
G 6 HOH 116 416 257 HOH HOH B . 
G 6 HOH 117 417 38  HOH HOH B . 
G 6 HOH 118 418 53  HOH HOH B . 
G 6 HOH 119 419 197 HOH HOH B . 
G 6 HOH 120 420 41  HOH HOH B . 
G 6 HOH 121 421 69  HOH HOH B . 
G 6 HOH 122 422 140 HOH HOH B . 
G 6 HOH 123 423 154 HOH HOH B . 
G 6 HOH 124 424 44  HOH HOH B . 
G 6 HOH 125 425 19  HOH HOH B . 
G 6 HOH 126 426 133 HOH HOH B . 
G 6 HOH 127 427 30  HOH HOH B . 
G 6 HOH 128 428 266 HOH HOH B . 
G 6 HOH 129 429 114 HOH HOH B . 
G 6 HOH 130 430 31  HOH HOH B . 
G 6 HOH 131 431 115 HOH HOH B . 
G 6 HOH 132 432 23  HOH HOH B . 
G 6 HOH 133 433 21  HOH HOH B . 
G 6 HOH 134 434 98  HOH HOH B . 
G 6 HOH 135 435 104 HOH HOH B . 
G 6 HOH 136 436 205 HOH HOH B . 
G 6 HOH 137 437 166 HOH HOH B . 
G 6 HOH 138 438 127 HOH HOH B . 
G 6 HOH 139 439 259 HOH HOH B . 
G 6 HOH 140 440 14  HOH HOH B . 
G 6 HOH 141 441 131 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     0.7.7    23/04/21        program 'Phil Evans'         ?                        'data scaling'    
http://www.mrc-lmb.cam.ac.uk/harry/pre/aimless.html ?          ? 
3 PDB_EXTRACT 3.23     'SEP. 23, 2016' package PDB                  deposit@deposit.rcsb.org 'data extraction' 
http://sw-tools.pdb.org/apps/PDB_EXTRACT/           C++        ? 
4 XDS         .        ?               program ?                    ?                        'data reduction'  ? ?          ? 
5 REFMAC      .        ?               program ?                    ?                        phasing           ? ?          ? 
# 
_cell.entry_id           7HNS 
_cell.length_a           95.427 
_cell.length_b           95.427 
_cell.length_c           45.844 
_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                         7HNS 
_symmetry.space_group_name_H-M             'I 4' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                79 
# 
_exptl.crystals_number   1 
_exptl.entry_id          7HNS 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.42 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   49.10 
_exptl_crystal.size_max              ? 
_exptl_crystal.size_mid              ? 
_exptl_crystal.size_min              ? 
_exptl_crystal.size_rad              ? 
_exptl_crystal.description           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.pH              8 
_exptl_crystal_grow.temp            293 
_exptl_crystal_grow.pdbx_details    '4 % PEG 400, 2 M AmmSO4, 0.1 M HEPES pH 8' 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           100 
_diffrn.crystal_id             1 
_diffrn.ambient_temp_details   ? 
# 
_diffrn_detector.detector               PIXEL 
_diffrn_detector.type                   'DECTRIS EIGER2 XE 9M' 
_diffrn_detector.pdbx_collection_date   2024-07-04 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.92134 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'DIAMOND BEAMLINE I04-1' 
_diffrn_source.pdbx_wavelength_list        0.92134 
_diffrn_source.pdbx_synchrotron_site       Diamond 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HNS 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             67.460 
_reflns.d_resolution_high            1.290 
_reflns.number_obs                   50969 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         98.200 
_reflns.pdbx_Rmerge_I_obs            0.072 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        17.800 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              11.100 
_reflns.pdbx_Rrim_I_all              0.075 
_reflns.pdbx_Rpim_I_all              0.021 
_reflns.pdbx_CC_half                 0.999 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     567249 
_reflns.pdbx_scaling_rejects         0 
_reflns.pdbx_chi_squared             ? 
_reflns.Rmerge_F_all                 ? 
_reflns.Rmerge_F_obs                 ? 
_reflns.observed_criterion_F_max     ? 
_reflns.observed_criterion_F_min     ? 
_reflns.observed_criterion_I_max     ? 
_reflns.observed_criterion_I_min     ? 
_reflns.pdbx_d_res_high_opt          ? 
_reflns.pdbx_d_res_low_opt           ? 
_reflns.details                      ? 
# 
loop_
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_ordinal 
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.number_measured_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_unique_obs 
_reflns_shell.pdbx_rejects 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_redundancy 
_reflns_shell.percent_possible_obs 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.Rmerge_I_all 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.percent_possible_all 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_CC_half 
1 1 1.290 1.310  ? 8300 2073 ? 1.285 ? ? ? 4.000  ? 0.500   ? ? ? ? ? ? 82.900 1.495 0.740 0.338 
1 2 7.070 67.460 ? 4254 349  ? 0.043 ? ? ? 12.200 ? 104.700 ? ? ? ? ? ? 99.900 0.045 0.014 0.994 
# 
_refine.entry_id                                 7HNS 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.2900 
_refine.ls_d_res_low                             67.4800 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    97.7000 
_refine.ls_number_reflns_obs                     48324 
_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                          0.1788 
_refine.ls_R_factor_R_work                       0.1777 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.2013 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.8000 
_refine.ls_number_reflns_R_free                  2463 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               17.1020 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.1000 
_refine.aniso_B[2][2]                            0.1000 
_refine.aniso_B[3][3]                            -0.2000 
_refine.aniso_B[1][2]                            -0.0000 
_refine.aniso_B[1][3]                            -0.0000 
_refine.aniso_B[2][3]                            -0.0000 
_refine.correlation_coeff_Fo_to_Fc               0.9690 
_refine.correlation_coeff_Fo_to_Fc_free          0.9610 
_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                       0.0510 
_refine.pdbx_overall_ESU_R_Free                  0.0530 
_refine.overall_SU_ML                            0.0430 
_refine.overall_SU_B                             1.1000 
_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                                79.320 
_refine.B_iso_min                                8.900 
_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                       1.2900 
_refine_hist.d_res_low                        67.4800 
_refine_hist.pdbx_number_atoms_ligand         43 
_refine_hist.number_atoms_solvent             141 
_refine_hist.number_atoms_total               1677 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           36.16 
_refine_hist.pdbx_B_iso_mean_solvent          27.73 
_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       2040 0.012  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1642 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2550 1.814  1.645  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3807 1.435  1.579  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 235  7.134  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 109  27.088 21.009 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 285  11.527 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   21.526 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         223  0.090  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2216 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     486  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            951  1.410  1.493  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         942  1.395  1.478  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1129 2.229  2.224  ? ? 
# 
_refine_ls_shell.d_res_high                       1.2900 
_refine_ls_shell.d_res_low                        1.3240 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               79.8800 
_refine_ls_shell.number_reflns_R_work             2890 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3330 
_refine_ls_shell.R_factor_R_free                  0.3240 
_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                3068 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HNS 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z2072621991' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HNS 
_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              7HNS 
_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 7HNS MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HNS HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HNS HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HNS HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HNS HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HNS HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HNS HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HNS MET B 8 ? UNP Q62191 ? ? 'expression tag'        14 8 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 4  ? MET A 8  ? HIS B 10  MET B 14  5 ? 5 
HELX_P HELX_P2 AA2 ASP A 14 ? ALA A 18 ? ASP B 20  ALA B 24  5 ? 5 
HELX_P HELX_P3 AA3 SER A 94 ? ASN A 97 ? SER B 100 ASN B 103 5 ? 4 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           114 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            120 
_struct_mon_prot_cis.auth_asym_id           B 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    115 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     121 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    B 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -2.43 
# 
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                   7HNS 
_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                126.65 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            14.85 
_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  ? ? 72.93   34.43 
2 1 GLN B 78  ? ? 57.20   16.64 
3 1 ASP B 152 ? ? -103.89 51.04 
# 
_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 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
EDO C1   C N N 88  
EDO O1   O N N 89  
EDO C2   C N N 90  
EDO O2   O N N 91  
EDO H11  H N N 92  
EDO H12  H N N 93  
EDO HO1  H N N 94  
EDO H21  H N N 95  
EDO H22  H N N 96  
EDO HO2  H N N 97  
EPE N1   N N N 98  
EPE C2   C N N 99  
EPE C3   C N N 100 
EPE N4   N N N 101 
EPE C5   C N N 102 
EPE C6   C N N 103 
EPE C7   C N N 104 
EPE C8   C N N 105 
EPE O8   O N N 106 
EPE C9   C N N 107 
EPE C10  C N N 108 
EPE S    S N N 109 
EPE O1S  O N N 110 
EPE O2S  O N N 111 
EPE O3S  O N N 112 
EPE H21  H N N 113 
EPE H22  H N N 114 
EPE H31  H N N 115 
EPE H32  H N N 116 
EPE H51  H N N 117 
EPE H52  H N N 118 
EPE H61  H N N 119 
EPE H62  H N N 120 
EPE H71  H N N 121 
EPE H72  H N N 122 
EPE H81  H N N 123 
EPE H82  H N N 124 
EPE HO8  H N N 125 
EPE H91  H N N 126 
EPE H92  H N N 127 
EPE H101 H N N 128 
EPE H102 H N N 129 
EPE HOS3 H N N 130 
GLN N    N N N 131 
GLN CA   C N S 132 
GLN C    C N N 133 
GLN O    O N N 134 
GLN CB   C N N 135 
GLN CG   C N N 136 
GLN CD   C N N 137 
GLN OE1  O N N 138 
GLN NE2  N N N 139 
GLN OXT  O N N 140 
GLN H    H N N 141 
GLN H2   H N N 142 
GLN HA   H N N 143 
GLN HB2  H N N 144 
GLN HB3  H N N 145 
GLN HG2  H N N 146 
GLN HG3  H N N 147 
GLN HE21 H N N 148 
GLN HE22 H N N 149 
GLN HXT  H N N 150 
GLU N    N N N 151 
GLU CA   C N S 152 
GLU C    C N N 153 
GLU O    O N N 154 
GLU CB   C N N 155 
GLU CG   C N N 156 
GLU CD   C N N 157 
GLU OE1  O N N 158 
GLU OE2  O N N 159 
GLU OXT  O N N 160 
GLU H    H N N 161 
GLU H2   H N N 162 
GLU HA   H N N 163 
GLU HB2  H N N 164 
GLU HB3  H N N 165 
GLU HG2  H N N 166 
GLU HG3  H N N 167 
GLU HE2  H N N 168 
GLU HXT  H N N 169 
GLY N    N N N 170 
GLY CA   C N N 171 
GLY C    C N N 172 
GLY O    O N N 173 
GLY OXT  O N N 174 
GLY H    H N N 175 
GLY H2   H N N 176 
GLY HA2  H N N 177 
GLY HA3  H N N 178 
GLY HXT  H N N 179 
HIS N    N N N 180 
HIS CA   C N S 181 
HIS C    C N N 182 
HIS O    O N N 183 
HIS CB   C N N 184 
HIS CG   C Y N 185 
HIS ND1  N Y N 186 
HIS CD2  C Y N 187 
HIS CE1  C Y N 188 
HIS NE2  N Y N 189 
HIS OXT  O N N 190 
HIS H    H N N 191 
HIS H2   H N N 192 
HIS HA   H N N 193 
HIS HB2  H N N 194 
HIS HB3  H N N 195 
HIS HD1  H N N 196 
HIS HD2  H N N 197 
HIS HE1  H N N 198 
HIS HE2  H N N 199 
HIS HXT  H N N 200 
HOH O    O N N 201 
HOH H1   H N N 202 
HOH H2   H N N 203 
ILE N    N N N 204 
ILE CA   C N S 205 
ILE C    C N N 206 
ILE O    O N N 207 
ILE CB   C N S 208 
ILE CG1  C N N 209 
ILE CG2  C N N 210 
ILE CD1  C N N 211 
ILE OXT  O N N 212 
ILE H    H N N 213 
ILE H2   H N N 214 
ILE HA   H N N 215 
ILE HB   H N N 216 
ILE HG12 H N N 217 
ILE HG13 H N N 218 
ILE HG21 H N N 219 
ILE HG22 H N N 220 
ILE HG23 H N N 221 
ILE HD11 H N N 222 
ILE HD12 H N N 223 
ILE HD13 H N N 224 
ILE HXT  H N N 225 
LEU N    N N N 226 
LEU CA   C N S 227 
LEU C    C N N 228 
LEU O    O N N 229 
LEU CB   C N N 230 
LEU CG   C N N 231 
LEU CD1  C N N 232 
LEU CD2  C N N 233 
LEU OXT  O N N 234 
LEU H    H N N 235 
LEU H2   H N N 236 
LEU HA   H N N 237 
LEU HB2  H N N 238 
LEU HB3  H N N 239 
LEU HG   H N N 240 
LEU HD11 H N N 241 
LEU HD12 H N N 242 
LEU HD13 H N N 243 
LEU HD21 H N N 244 
LEU HD22 H N N 245 
LEU HD23 H N N 246 
LEU HXT  H N N 247 
LQP N1   N N N 248 
LQP C4   C N N 249 
LQP C5   C N S 250 
LQP C6   C N N 251 
LQP C7   C N N 252 
LQP C8   C N N 253 
LQP C10  C N N 254 
LQP F1   F N N 255 
LQP C1   C N N 256 
LQP F2   F N N 257 
LQP O1   O N N 258 
LQP C2   C N N 259 
LQP C3   C N N 260 
LQP O2   O N N 261 
LQP C9   C N R 262 
LQP H1   H N N 263 
LQP H2   H N N 264 
LQP H3   H N N 265 
LQP H4   H N N 266 
LQP H5   H N N 267 
LQP H6   H N N 268 
LQP H7   H N N 269 
LQP H8   H N N 270 
LQP H9   H N N 271 
LQP H10  H N N 272 
LQP H11  H N N 273 
LQP H12  H N N 274 
LQP H13  H N N 275 
LQP H14  H N N 276 
LQP H15  H N N 277 
LYS N    N N N 278 
LYS CA   C N S 279 
LYS C    C N N 280 
LYS O    O N N 281 
LYS CB   C N N 282 
LYS CG   C N N 283 
LYS CD   C N N 284 
LYS CE   C N N 285 
LYS NZ   N N N 286 
LYS OXT  O N N 287 
LYS H    H N N 288 
LYS H2   H N N 289 
LYS HA   H N N 290 
LYS HB2  H N N 291 
LYS HB3  H N N 292 
LYS HG2  H N N 293 
LYS HG3  H N N 294 
LYS HD2  H N N 295 
LYS HD3  H N N 296 
LYS HE2  H N N 297 
LYS HE3  H N N 298 
LYS HZ1  H N N 299 
LYS HZ2  H N N 300 
LYS HZ3  H N N 301 
LYS HXT  H N N 302 
MET N    N N N 303 
MET CA   C N S 304 
MET C    C N N 305 
MET O    O N N 306 
MET CB   C N N 307 
MET CG   C N N 308 
MET SD   S N N 309 
MET CE   C N N 310 
MET OXT  O N N 311 
MET H    H N N 312 
MET H2   H N N 313 
MET HA   H N N 314 
MET HB2  H N N 315 
MET HB3  H N N 316 
MET HG2  H N N 317 
MET HG3  H N N 318 
MET HE1  H N N 319 
MET HE2  H N N 320 
MET HE3  H N N 321 
MET HXT  H N N 322 
PHE N    N N N 323 
PHE CA   C N S 324 
PHE C    C N N 325 
PHE O    O N N 326 
PHE CB   C N N 327 
PHE CG   C Y N 328 
PHE CD1  C Y N 329 
PHE CD2  C Y N 330 
PHE CE1  C Y N 331 
PHE CE2  C Y N 332 
PHE CZ   C Y N 333 
PHE OXT  O N N 334 
PHE H    H N N 335 
PHE H2   H N N 336 
PHE HA   H N N 337 
PHE HB2  H N N 338 
PHE HB3  H N N 339 
PHE HD1  H N N 340 
PHE HD2  H N N 341 
PHE HE1  H N N 342 
PHE HE2  H N N 343 
PHE HZ   H N N 344 
PHE HXT  H N N 345 
PRO N    N N N 346 
PRO CA   C N S 347 
PRO C    C N N 348 
PRO O    O N N 349 
PRO CB   C N N 350 
PRO CG   C N N 351 
PRO CD   C N N 352 
PRO OXT  O N N 353 
PRO H    H N N 354 
PRO HA   H N N 355 
PRO HB2  H N N 356 
PRO HB3  H N N 357 
PRO HG2  H N N 358 
PRO HG3  H N N 359 
PRO HD2  H N N 360 
PRO HD3  H N N 361 
PRO HXT  H N N 362 
SER N    N N N 363 
SER CA   C N S 364 
SER C    C N N 365 
SER O    O N N 366 
SER CB   C N N 367 
SER OG   O N N 368 
SER OXT  O N N 369 
SER H    H N N 370 
SER H2   H N N 371 
SER HA   H N N 372 
SER HB2  H N N 373 
SER HB3  H N N 374 
SER HG   H N N 375 
SER HXT  H N N 376 
SO4 S    S N N 377 
SO4 O1   O N N 378 
SO4 O2   O N N 379 
SO4 O3   O N N 380 
SO4 O4   O N N 381 
THR N    N N N 382 
THR CA   C N S 383 
THR C    C N N 384 
THR O    O N N 385 
THR CB   C N R 386 
THR OG1  O N N 387 
THR CG2  C N N 388 
THR OXT  O N N 389 
THR H    H N N 390 
THR H2   H N N 391 
THR HA   H N N 392 
THR HB   H N N 393 
THR HG1  H N N 394 
THR HG21 H N N 395 
THR HG22 H N N 396 
THR HG23 H N N 397 
THR HXT  H N N 398 
TRP N    N N N 399 
TRP CA   C N S 400 
TRP C    C N N 401 
TRP O    O N N 402 
TRP CB   C N N 403 
TRP CG   C Y N 404 
TRP CD1  C Y N 405 
TRP CD2  C Y N 406 
TRP NE1  N Y N 407 
TRP CE2  C Y N 408 
TRP CE3  C Y N 409 
TRP CZ2  C Y N 410 
TRP CZ3  C Y N 411 
TRP CH2  C Y N 412 
TRP OXT  O N N 413 
TRP H    H N N 414 
TRP H2   H N N 415 
TRP HA   H N N 416 
TRP HB2  H N N 417 
TRP HB3  H N N 418 
TRP HD1  H N N 419 
TRP HE1  H N N 420 
TRP HE3  H N N 421 
TRP HZ2  H N N 422 
TRP HZ3  H N N 423 
TRP HH2  H N N 424 
TRP HXT  H N N 425 
TYR N    N N N 426 
TYR CA   C N S 427 
TYR C    C N N 428 
TYR O    O N N 429 
TYR CB   C N N 430 
TYR CG   C Y N 431 
TYR CD1  C Y N 432 
TYR CD2  C Y N 433 
TYR CE1  C Y N 434 
TYR CE2  C Y N 435 
TYR CZ   C Y N 436 
TYR OH   O N N 437 
TYR OXT  O N N 438 
TYR H    H N N 439 
TYR H2   H N N 440 
TYR HA   H N N 441 
TYR HB2  H N N 442 
TYR HB3  H N N 443 
TYR HD1  H N N 444 
TYR HD2  H N N 445 
TYR HE1  H N N 446 
TYR HE2  H N N 447 
TYR HH   H N N 448 
TYR HXT  H N N 449 
VAL N    N N N 450 
VAL CA   C N S 451 
VAL C    C N N 452 
VAL O    O N N 453 
VAL CB   C N N 454 
VAL CG1  C N N 455 
VAL CG2  C N N 456 
VAL OXT  O N N 457 
VAL H    H N N 458 
VAL H2   H N N 459 
VAL HA   H N N 460 
VAL HB   H N N 461 
VAL HG11 H N N 462 
VAL HG12 H N N 463 
VAL HG13 H N N 464 
VAL HG21 H N N 465 
VAL HG22 H N N 466 
VAL HG23 H N N 467 
VAL HXT  H N N 468 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
EDO C1  O1   sing N N 83  
EDO C1  C2   sing N N 84  
EDO C1  H11  sing N N 85  
EDO C1  H12  sing N N 86  
EDO O1  HO1  sing N N 87  
EDO C2  O2   sing N N 88  
EDO C2  H21  sing N N 89  
EDO C2  H22  sing N N 90  
EDO O2  HO2  sing N N 91  
EPE N1  C2   sing N N 92  
EPE N1  C6   sing N N 93  
EPE N1  C9   sing N N 94  
EPE C2  C3   sing N N 95  
EPE C2  H21  sing N N 96  
EPE C2  H22  sing N N 97  
EPE C3  N4   sing N N 98  
EPE C3  H31  sing N N 99  
EPE C3  H32  sing N N 100 
EPE N4  C5   sing N N 101 
EPE N4  C7   sing N N 102 
EPE C5  C6   sing N N 103 
EPE C5  H51  sing N N 104 
EPE C5  H52  sing N N 105 
EPE C6  H61  sing N N 106 
EPE C6  H62  sing N N 107 
EPE C7  C8   sing N N 108 
EPE C7  H71  sing N N 109 
EPE C7  H72  sing N N 110 
EPE C8  O8   sing N N 111 
EPE C8  H81  sing N N 112 
EPE C8  H82  sing N N 113 
EPE O8  HO8  sing N N 114 
EPE C9  C10  sing N N 115 
EPE C9  H91  sing N N 116 
EPE C9  H92  sing N N 117 
EPE C10 S    sing N N 118 
EPE C10 H101 sing N N 119 
EPE C10 H102 sing N N 120 
EPE S   O1S  doub N N 121 
EPE S   O2S  doub N N 122 
EPE S   O3S  sing N N 123 
EPE O3S HOS3 sing N N 124 
GLN N   CA   sing N N 125 
GLN N   H    sing N N 126 
GLN N   H2   sing N N 127 
GLN CA  C    sing N N 128 
GLN CA  CB   sing N N 129 
GLN CA  HA   sing N N 130 
GLN C   O    doub N N 131 
GLN C   OXT  sing N N 132 
GLN CB  CG   sing N N 133 
GLN CB  HB2  sing N N 134 
GLN CB  HB3  sing N N 135 
GLN CG  CD   sing N N 136 
GLN CG  HG2  sing N N 137 
GLN CG  HG3  sing N N 138 
GLN CD  OE1  doub N N 139 
GLN CD  NE2  sing N N 140 
GLN NE2 HE21 sing N N 141 
GLN NE2 HE22 sing N N 142 
GLN OXT HXT  sing N N 143 
GLU N   CA   sing N N 144 
GLU N   H    sing N N 145 
GLU N   H2   sing N N 146 
GLU CA  C    sing N N 147 
GLU CA  CB   sing N N 148 
GLU CA  HA   sing N N 149 
GLU C   O    doub N N 150 
GLU C   OXT  sing N N 151 
GLU CB  CG   sing N N 152 
GLU CB  HB2  sing N N 153 
GLU CB  HB3  sing N N 154 
GLU CG  CD   sing N N 155 
GLU CG  HG2  sing N N 156 
GLU CG  HG3  sing N N 157 
GLU CD  OE1  doub N N 158 
GLU CD  OE2  sing N N 159 
GLU OE2 HE2  sing N N 160 
GLU OXT HXT  sing N N 161 
GLY N   CA   sing N N 162 
GLY N   H    sing N N 163 
GLY N   H2   sing N N 164 
GLY CA  C    sing N N 165 
GLY CA  HA2  sing N N 166 
GLY CA  HA3  sing N N 167 
GLY C   O    doub N N 168 
GLY C   OXT  sing N N 169 
GLY OXT HXT  sing N N 170 
HIS N   CA   sing N N 171 
HIS N   H    sing N N 172 
HIS N   H2   sing N N 173 
HIS CA  C    sing N N 174 
HIS CA  CB   sing N N 175 
HIS CA  HA   sing N N 176 
HIS C   O    doub N N 177 
HIS C   OXT  sing N N 178 
HIS CB  CG   sing N N 179 
HIS CB  HB2  sing N N 180 
HIS CB  HB3  sing N N 181 
HIS CG  ND1  sing Y N 182 
HIS CG  CD2  doub Y N 183 
HIS ND1 CE1  doub Y N 184 
HIS ND1 HD1  sing N N 185 
HIS CD2 NE2  sing Y N 186 
HIS CD2 HD2  sing N N 187 
HIS CE1 NE2  sing Y N 188 
HIS CE1 HE1  sing N N 189 
HIS NE2 HE2  sing N N 190 
HIS OXT HXT  sing N N 191 
HOH O   H1   sing N N 192 
HOH O   H2   sing N N 193 
ILE N   CA   sing N N 194 
ILE N   H    sing N N 195 
ILE N   H2   sing N N 196 
ILE CA  C    sing N N 197 
ILE CA  CB   sing N N 198 
ILE CA  HA   sing N N 199 
ILE C   O    doub N N 200 
ILE C   OXT  sing N N 201 
ILE CB  CG1  sing N N 202 
ILE CB  CG2  sing N N 203 
ILE CB  HB   sing N N 204 
ILE CG1 CD1  sing N N 205 
ILE CG1 HG12 sing N N 206 
ILE CG1 HG13 sing N N 207 
ILE CG2 HG21 sing N N 208 
ILE CG2 HG22 sing N N 209 
ILE CG2 HG23 sing N N 210 
ILE CD1 HD11 sing N N 211 
ILE CD1 HD12 sing N N 212 
ILE CD1 HD13 sing N N 213 
ILE OXT HXT  sing N N 214 
LEU N   CA   sing N N 215 
LEU N   H    sing N N 216 
LEU N   H2   sing N N 217 
LEU CA  C    sing N N 218 
LEU CA  CB   sing N N 219 
LEU CA  HA   sing N N 220 
LEU C   O    doub N N 221 
LEU C   OXT  sing N N 222 
LEU CB  CG   sing N N 223 
LEU CB  HB2  sing N N 224 
LEU CB  HB3  sing N N 225 
LEU CG  CD1  sing N N 226 
LEU CG  CD2  sing N N 227 
LEU CG  HG   sing N N 228 
LEU CD1 HD11 sing N N 229 
LEU CD1 HD12 sing N N 230 
LEU CD1 HD13 sing N N 231 
LEU CD2 HD21 sing N N 232 
LEU CD2 HD22 sing N N 233 
LEU CD2 HD23 sing N N 234 
LEU OXT HXT  sing N N 235 
LQP C4  N1   sing N N 236 
LQP C4  C5   sing N N 237 
LQP F2  C1   sing N N 238 
LQP C6  C5   sing N N 239 
LQP C6  C7   sing N N 240 
LQP C2  C3   sing N N 241 
LQP C2  O1   sing N N 242 
LQP C3  N1   sing N N 243 
LQP C3  O2   doub N N 244 
LQP N1  C10  sing N N 245 
LQP C5  C9   sing N N 246 
LQP C1  O1   sing N N 247 
LQP C1  F1   sing N N 248 
LQP C7  C8   sing N N 249 
LQP C10 C9   sing N N 250 
LQP C9  C8   sing N N 251 
LQP C4  H1   sing N N 252 
LQP C4  H2   sing N N 253 
LQP C5  H3   sing N N 254 
LQP C6  H4   sing N N 255 
LQP C6  H5   sing N N 256 
LQP C7  H6   sing N N 257 
LQP C7  H7   sing N N 258 
LQP C8  H8   sing N N 259 
LQP C8  H9   sing N N 260 
LQP C10 H10  sing N N 261 
LQP C10 H11  sing N N 262 
LQP C1  H12  sing N N 263 
LQP C2  H13  sing N N 264 
LQP C2  H14  sing N N 265 
LQP C9  H15  sing N N 266 
LYS N   CA   sing N N 267 
LYS N   H    sing N N 268 
LYS N   H2   sing N N 269 
LYS CA  C    sing N N 270 
LYS CA  CB   sing N N 271 
LYS CA  HA   sing N N 272 
LYS C   O    doub N N 273 
LYS C   OXT  sing N N 274 
LYS CB  CG   sing N N 275 
LYS CB  HB2  sing N N 276 
LYS CB  HB3  sing N N 277 
LYS CG  CD   sing N N 278 
LYS CG  HG2  sing N N 279 
LYS CG  HG3  sing N N 280 
LYS CD  CE   sing N N 281 
LYS CD  HD2  sing N N 282 
LYS CD  HD3  sing N N 283 
LYS CE  NZ   sing N N 284 
LYS CE  HE2  sing N N 285 
LYS CE  HE3  sing N N 286 
LYS NZ  HZ1  sing N N 287 
LYS NZ  HZ2  sing N N 288 
LYS NZ  HZ3  sing N N 289 
LYS OXT HXT  sing N N 290 
MET N   CA   sing N N 291 
MET N   H    sing N N 292 
MET N   H2   sing N N 293 
MET CA  C    sing N N 294 
MET CA  CB   sing N N 295 
MET CA  HA   sing N N 296 
MET C   O    doub N N 297 
MET C   OXT  sing N N 298 
MET CB  CG   sing N N 299 
MET CB  HB2  sing N N 300 
MET CB  HB3  sing N N 301 
MET CG  SD   sing N N 302 
MET CG  HG2  sing N N 303 
MET CG  HG3  sing N N 304 
MET SD  CE   sing N N 305 
MET CE  HE1  sing N N 306 
MET CE  HE2  sing N N 307 
MET CE  HE3  sing N N 308 
MET OXT HXT  sing N N 309 
PHE N   CA   sing N N 310 
PHE N   H    sing N N 311 
PHE N   H2   sing N N 312 
PHE CA  C    sing N N 313 
PHE CA  CB   sing N N 314 
PHE CA  HA   sing N N 315 
PHE C   O    doub N N 316 
PHE C   OXT  sing N N 317 
PHE CB  CG   sing N N 318 
PHE CB  HB2  sing N N 319 
PHE CB  HB3  sing N N 320 
PHE CG  CD1  doub Y N 321 
PHE CG  CD2  sing Y N 322 
PHE CD1 CE1  sing Y N 323 
PHE CD1 HD1  sing N N 324 
PHE CD2 CE2  doub Y N 325 
PHE CD2 HD2  sing N N 326 
PHE CE1 CZ   doub Y N 327 
PHE CE1 HE1  sing N N 328 
PHE CE2 CZ   sing Y N 329 
PHE CE2 HE2  sing N N 330 
PHE CZ  HZ   sing N N 331 
PHE OXT HXT  sing N N 332 
PRO N   CA   sing N N 333 
PRO N   CD   sing N N 334 
PRO N   H    sing N N 335 
PRO CA  C    sing N N 336 
PRO CA  CB   sing N N 337 
PRO CA  HA   sing N N 338 
PRO C   O    doub N N 339 
PRO C   OXT  sing N N 340 
PRO CB  CG   sing N N 341 
PRO CB  HB2  sing N N 342 
PRO CB  HB3  sing N N 343 
PRO CG  CD   sing N N 344 
PRO CG  HG2  sing N N 345 
PRO CG  HG3  sing N N 346 
PRO CD  HD2  sing N N 347 
PRO CD  HD3  sing N N 348 
PRO OXT HXT  sing N N 349 
SER N   CA   sing N N 350 
SER N   H    sing N N 351 
SER N   H2   sing N N 352 
SER CA  C    sing N N 353 
SER CA  CB   sing N N 354 
SER CA  HA   sing N N 355 
SER C   O    doub N N 356 
SER C   OXT  sing N N 357 
SER CB  OG   sing N N 358 
SER CB  HB2  sing N N 359 
SER CB  HB3  sing N N 360 
SER OG  HG   sing N N 361 
SER OXT HXT  sing N N 362 
SO4 S   O1   doub N N 363 
SO4 S   O2   doub N N 364 
SO4 S   O3   sing N N 365 
SO4 S   O4   sing N N 366 
THR N   CA   sing N N 367 
THR N   H    sing N N 368 
THR N   H2   sing N N 369 
THR CA  C    sing N N 370 
THR CA  CB   sing N N 371 
THR CA  HA   sing N N 372 
THR C   O    doub N N 373 
THR C   OXT  sing N N 374 
THR CB  OG1  sing N N 375 
THR CB  CG2  sing N N 376 
THR CB  HB   sing N N 377 
THR OG1 HG1  sing N N 378 
THR CG2 HG21 sing N N 379 
THR CG2 HG22 sing N N 380 
THR CG2 HG23 sing N N 381 
THR OXT HXT  sing N N 382 
TRP N   CA   sing N N 383 
TRP N   H    sing N N 384 
TRP N   H2   sing N N 385 
TRP CA  C    sing N N 386 
TRP CA  CB   sing N N 387 
TRP CA  HA   sing N N 388 
TRP C   O    doub N N 389 
TRP C   OXT  sing N N 390 
TRP CB  CG   sing N N 391 
TRP CB  HB2  sing N N 392 
TRP CB  HB3  sing N N 393 
TRP CG  CD1  doub Y N 394 
TRP CG  CD2  sing Y N 395 
TRP CD1 NE1  sing Y N 396 
TRP CD1 HD1  sing N N 397 
TRP CD2 CE2  doub Y N 398 
TRP CD2 CE3  sing Y N 399 
TRP NE1 CE2  sing Y N 400 
TRP NE1 HE1  sing N N 401 
TRP CE2 CZ2  sing Y N 402 
TRP CE3 CZ3  doub Y N 403 
TRP CE3 HE3  sing N N 404 
TRP CZ2 CH2  doub Y N 405 
TRP CZ2 HZ2  sing N N 406 
TRP CZ3 CH2  sing Y N 407 
TRP CZ3 HZ3  sing N N 408 
TRP CH2 HH2  sing N N 409 
TRP OXT HXT  sing N N 410 
TYR N   CA   sing N N 411 
TYR N   H    sing N N 412 
TYR N   H2   sing N N 413 
TYR CA  C    sing N N 414 
TYR CA  CB   sing N N 415 
TYR CA  HA   sing N N 416 
TYR C   O    doub N N 417 
TYR C   OXT  sing N N 418 
TYR CB  CG   sing N N 419 
TYR CB  HB2  sing N N 420 
TYR CB  HB3  sing N N 421 
TYR CG  CD1  doub Y N 422 
TYR CG  CD2  sing Y N 423 
TYR CD1 CE1  sing Y N 424 
TYR CD1 HD1  sing N N 425 
TYR CD2 CE2  doub Y N 426 
TYR CD2 HD2  sing N N 427 
TYR CE1 CZ   doub Y N 428 
TYR CE1 HE1  sing N N 429 
TYR CE2 CZ   sing Y N 430 
TYR CE2 HE2  sing N N 431 
TYR CZ  OH   sing N N 432 
TYR OH  HH   sing N N 433 
TYR OXT HXT  sing N N 434 
VAL N   CA   sing N N 435 
VAL N   H    sing N N 436 
VAL N   H2   sing N N 437 
VAL CA  C    sing N N 438 
VAL CA  CB   sing N N 439 
VAL CA  HA   sing N N 440 
VAL C   O    doub N N 441 
VAL C   OXT  sing N N 442 
VAL CB  CG1  sing N N 443 
VAL CB  CG2  sing N N 444 
VAL CB  HB   sing N N 445 
VAL CG1 HG11 sing N N 446 
VAL CG1 HG12 sing N N 447 
VAL CG1 HG13 sing N N 448 
VAL CG2 HG21 sing N N 449 
VAL CG2 HG22 sing N N 450 
VAL CG2 HG23 sing N N 451 
VAL OXT HXT  sing N N 452 
# 
_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                    7HNS 
_atom_sites.fract_transf_matrix[1][1]   0.010479 
_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]   0.010479 
_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]   0.021813 
_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 
F 
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   ? -13.212 -12.809 -9.917  1.00 70.72 ? 8   HIS B N   1 
ATOM   2    C CA  . HIS A 1 2   ? -12.744 -13.452 -11.193 1.00 64.27 ? 8   HIS B CA  1 
ATOM   3    C C   . HIS A 1 2   ? -11.627 -12.604 -11.817 1.00 64.88 ? 8   HIS B C   1 
ATOM   4    O O   . HIS A 1 2   ? -11.492 -11.417 -11.434 1.00 69.45 ? 8   HIS B O   1 
ATOM   5    C CB  . HIS A 1 2   ? -13.927 -13.672 -12.159 1.00 56.15 ? 8   HIS B CB  1 
ATOM   6    C CG  . HIS A 1 2   ? -14.520 -12.421 -12.730 1.00 50.36 ? 8   HIS B CG  1 
ATOM   7    N ND1 . HIS A 1 2   ? -13.994 -11.797 -13.851 1.00 50.34 ? 8   HIS B ND1 1 
ATOM   8    C CD2 . HIS A 1 2   ? -15.599 -11.688 -12.370 1.00 47.80 ? 8   HIS B CD2 1 
ATOM   9    C CE1 . HIS A 1 2   ? -14.703 -10.719 -14.133 1.00 47.52 ? 8   HIS B CE1 1 
ATOM   10   N NE2 . HIS A 1 2   ? -15.700 -10.628 -13.248 1.00 43.91 ? 8   HIS B NE2 1 
ATOM   11   N N   . HIS A 1 3   ? -10.886 -13.184 -12.766 1.00 59.95 ? 9   HIS B N   1 
ATOM   12   C CA  . HIS A 1 3   ? -9.769  -12.537 -13.507 1.00 59.37 ? 9   HIS B CA  1 
ATOM   13   C C   . HIS A 1 3   ? -9.981  -12.702 -15.024 1.00 51.85 ? 9   HIS B C   1 
ATOM   14   O O   . HIS A 1 3   ? -8.988  -12.981 -15.728 1.00 53.59 ? 9   HIS B O   1 
ATOM   15   C CB  . HIS A 1 3   ? -8.431  -13.087 -12.971 1.00 65.62 ? 9   HIS B CB  1 
ATOM   16   C CG  . HIS A 1 3   ? -8.240  -12.834 -11.506 1.00 74.42 ? 9   HIS B CG  1 
ATOM   17   N ND1 . HIS A 1 3   ? -8.140  -11.553 -10.977 1.00 75.88 ? 9   HIS B ND1 1 
ATOM   18   C CD2 . HIS A 1 3   ? -8.151  -13.678 -10.454 1.00 77.75 ? 9   HIS B CD2 1 
ATOM   19   C CE1 . HIS A 1 3   ? -7.995  -11.624 -9.669  1.00 77.41 ? 9   HIS B CE1 1 
ATOM   20   N NE2 . HIS A 1 3   ? -7.994  -12.918 -9.323  1.00 79.32 ? 9   HIS B NE2 1 
ATOM   21   N N   . HIS A 1 4   ? -11.225 -12.498 -15.505 1.00 41.67 ? 10  HIS B N   1 
ATOM   22   C CA  . HIS A 1 4   ? -11.678 -12.684 -16.917 1.00 35.13 ? 10  HIS B CA  1 
ATOM   23   C C   . HIS A 1 4   ? -11.670 -11.351 -17.671 1.00 33.86 ? 10  HIS B C   1 
ATOM   24   O O   . HIS A 1 4   ? -11.786 -11.376 -18.915 1.00 30.23 ? 10  HIS B O   1 
ATOM   25   C CB  . HIS A 1 4   ? -13.094 -13.293 -16.982 1.00 32.36 ? 10  HIS B CB  1 
ATOM   26   C CG  . HIS A 1 4   ? -13.198 -14.662 -16.405 1.00 32.68 ? 10  HIS B CG  1 
ATOM   27   N ND1 . HIS A 1 4   ? -12.281 -15.673 -16.696 1.00 31.20 ? 10  HIS B ND1 1 
ATOM   28   C CD2 . HIS A 1 4   ? -14.106 -15.201 -15.564 1.00 30.48 ? 10  HIS B CD2 1 
ATOM   29   C CE1 . HIS A 1 4   ? -12.634 -16.771 -16.056 1.00 37.58 ? 10  HIS B CE1 1 
ATOM   30   N NE2 . HIS A 1 4   ? -13.753 -16.507 -15.364 1.00 35.85 ? 10  HIS B NE2 1 
ATOM   31   N N   . HIS A 1 5   ? -11.538 -10.224 -16.959 1.00 34.09 ? 11  HIS B N   1 
ATOM   32   C CA  . HIS A 1 5   ? -11.609 -8.846  -17.518 1.00 36.58 ? 11  HIS B CA  1 
ATOM   33   C C   . HIS A 1 5   ? -10.685 -8.678  -18.735 1.00 36.32 ? 11  HIS B C   1 
ATOM   34   O O   . HIS A 1 5   ? -11.091 -7.950  -19.661 1.00 36.90 ? 11  HIS B O   1 
ATOM   35   C CB  . HIS A 1 5   ? -11.317 -7.778  -16.441 1.00 44.25 ? 11  HIS B CB  1 
ATOM   36   C CG  . HIS A 1 5   ? -12.197 -7.868  -15.240 1.00 53.56 ? 11  HIS B CG  1 
ATOM   37   N ND1 . HIS A 1 5   ? -11.851 -8.620  -14.120 1.00 63.86 ? 11  HIS B ND1 1 
ATOM   38   C CD2 . HIS A 1 5   ? -13.404 -7.320  -14.969 1.00 58.43 ? 11  HIS B CD2 1 
ATOM   39   C CE1 . HIS A 1 5   ? -12.810 -8.527  -13.214 1.00 63.58 ? 11  HIS B CE1 1 
ATOM   40   N NE2 . HIS A 1 5   ? -13.778 -7.739  -13.712 1.00 60.10 ? 11  HIS B NE2 1 
ATOM   41   N N   . HIS A 1 6   ? -9.515  -9.341  -18.771 1.00 32.55 ? 12  HIS B N   1 
ATOM   42   C CA  . HIS A 1 6   ? -8.508  -9.225  -19.866 1.00 33.27 ? 12  HIS B CA  1 
ATOM   43   C C   . HIS A 1 6   ? -9.008  -9.815  -21.193 1.00 31.71 ? 12  HIS B C   1 
ATOM   44   O O   . HIS A 1 6   ? -8.352  -9.573  -22.220 1.00 32.80 ? 12  HIS B O   1 
ATOM   45   C CB  . HIS A 1 6   ? -7.159  -9.851  -19.478 1.00 38.78 ? 12  HIS B CB  1 
ATOM   46   C CG  . HIS A 1 6   ? -7.187  -11.279 -19.047 1.00 38.85 ? 12  HIS B CG  1 
ATOM   47   N ND1 . HIS A 1 6   ? -6.615  -12.302 -19.805 1.00 44.16 ? 12  HIS B ND1 1 
ATOM   48   C CD2 . HIS A 1 6   ? -7.642  -11.860 -17.915 1.00 41.22 ? 12  HIS B CD2 1 
ATOM   49   C CE1 . HIS A 1 6   ? -6.745  -13.448 -19.171 1.00 40.76 ? 12  HIS B CE1 1 
ATOM   50   N NE2 . HIS A 1 6   ? -7.377  -13.210 -18.009 1.00 47.28 ? 12  HIS B NE2 1 
ATOM   51   N N   . HIS A 1 7   ? -10.094 -10.595 -21.194 1.00 26.17 ? 13  HIS B N   1 
ATOM   52   C CA  . HIS A 1 7   ? -10.729 -11.147 -22.424 1.00 22.06 ? 13  HIS B CA  1 
ATOM   53   C C   . HIS A 1 7   ? -11.842 -10.229 -22.903 1.00 20.12 ? 13  HIS B C   1 
ATOM   54   O O   . HIS A 1 7   ? -12.694 -10.710 -23.676 1.00 17.30 ? 13  HIS B O   1 
ATOM   55   C CB  . HIS A 1 7   ? -11.279 -12.536 -22.160 1.00 21.59 ? 13  HIS B CB  1 
ATOM   56   C CG  . HIS A 1 7   ? -10.213 -13.495 -21.746 1.00 22.82 ? 13  HIS B CG  1 
ATOM   57   N ND1 . HIS A 1 7   ? -9.173  -13.824 -22.601 1.00 23.23 ? 13  HIS B ND1 1 
ATOM   58   C CD2 . HIS A 1 7   ? -10.051 -14.194 -20.609 1.00 23.55 ? 13  HIS B CD2 1 
ATOM   59   C CE1 . HIS A 1 7   ? -8.398  -14.694 -21.981 1.00 22.33 ? 13  HIS B CE1 1 
ATOM   60   N NE2 . HIS A 1 7   ? -8.883  -14.924 -20.755 1.00 25.32 ? 13  HIS B NE2 1 
ATOM   61   N N   . MET A 1 8   ? -11.872 -8.998  -22.408 1.00 20.34 ? 14  MET B N   1 
ATOM   62   C CA  . MET A 1 8   ? -12.918 -7.996  -22.738 1.00 22.25 ? 14  MET B CA  1 
ATOM   63   C C   . MET A 1 8   ? -13.017 -7.836  -24.258 1.00 21.74 ? 14  MET B C   1 
ATOM   64   O O   . MET A 1 8   ? -11.986 -7.685  -24.967 1.00 24.28 ? 14  MET B O   1 
ATOM   65   C CB  . MET A 1 8   ? -12.595 -6.643  -22.094 1.00 28.16 ? 14  MET B CB  1 
ATOM   66   C CG  . MET A 1 8   ? -13.604 -5.530  -22.386 1.00 35.02 ? 14  MET B CG  1 
ATOM   67   S SD  . MET A 1 8   ? -15.222 -5.754  -21.560 1.00 46.16 ? 14  MET B SD  1 
ATOM   68   C CE  . MET A 1 8   ? -14.826 -5.194  -19.908 1.00 34.71 ? 14  MET B CE  1 
ATOM   69   N N   . VAL A 1 9   ? -14.241 -7.850  -24.779 1.00 18.14 ? 15  VAL B N   1 
ATOM   70   C CA  . VAL A 1 9   ? -14.563 -7.626  -26.209 1.00 19.22 ? 15  VAL B CA  1 
ATOM   71   C C   . VAL A 1 9   ? -15.551 -6.439  -26.300 1.00 19.33 ? 15  VAL B C   1 
ATOM   72   O O   . VAL A 1 9   ? -16.408 -6.258  -25.410 1.00 18.96 ? 15  VAL B O   1 
ATOM   73   C CB  . VAL A 1 9   ? -15.078 -8.883  -26.929 1.00 20.35 ? 15  VAL B CB  1 
ATOM   74   C CG1 . VAL A 1 9   ? -13.981 -9.932  -27.033 1.00 23.90 ? 15  VAL B CG1 1 
ATOM   75   C CG2 . VAL A 1 9   ? -16.290 -9.489  -26.258 1.00 21.19 ? 15  VAL B CG2 1 
ATOM   76   N N   . HIS A 1 10  ? -15.473 -5.671  -27.380 1.00 19.83 ? 16  HIS B N   1 
ATOM   77   C CA  . HIS A 1 10  ? -16.365 -4.515  -27.632 1.00 19.08 ? 16  HIS B CA  1 
ATOM   78   C C   . HIS A 1 10  ? -17.596 -5.023  -28.392 1.00 19.87 ? 16  HIS B C   1 
ATOM   79   O O   . HIS A 1 10  ? -17.477 -5.437  -29.538 1.00 22.59 ? 16  HIS B O   1 
ATOM   80   C CB  . HIS A 1 10  ? -15.622 -3.447  -28.429 1.00 20.74 ? 16  HIS B CB  1 
ATOM   81   C CG  . HIS A 1 10  ? -16.385 -2.183  -28.661 1.00 25.61 ? 16  HIS B CG  1 
ATOM   82   N ND1 . HIS A 1 10  ? -16.511 -1.212  -27.691 1.00 29.78 ? 16  HIS B ND1 1 
ATOM   83   C CD2 . HIS A 1 10  ? -17.077 -1.752  -29.739 1.00 29.36 ? 16  HIS B CD2 1 
ATOM   84   C CE1 . HIS A 1 10  ? -17.238 -0.205  -28.168 1.00 25.51 ? 16  HIS B CE1 1 
ATOM   85   N NE2 . HIS A 1 10  ? -17.613 -0.527  -29.431 1.00 31.43 ? 16  HIS B NE2 1 
ATOM   86   N N   . ILE A 1 11  ? -18.718 -5.144  -27.703 1.00 15.58 ? 17  ILE B N   1 
ATOM   87   C CA  . ILE A 1 11  ? -19.955 -5.658  -28.322 1.00 16.43 ? 17  ILE B CA  1 
ATOM   88   C C   . ILE A 1 11  ? -20.768 -4.468  -28.855 1.00 15.57 ? 17  ILE B C   1 
ATOM   89   O O   . ILE A 1 11  ? -20.802 -3.437  -28.196 1.00 15.45 ? 17  ILE B O   1 
ATOM   90   C CB  . ILE A 1 11  ? -20.756 -6.470  -27.288 1.00 15.84 ? 17  ILE B CB  1 
ATOM   91   C CG1 . ILE A 1 11  ? -19.957 -7.683  -26.788 1.00 16.89 ? 17  ILE B CG1 1 
ATOM   92   C CG2 . ILE A 1 11  ? -22.106 -6.865  -27.887 1.00 15.53 ? 17  ILE B CG2 1 
ATOM   93   C CD1 . ILE A 1 11  ? -19.381 -8.600  -27.858 1.00 16.16 ? 17  ILE B CD1 1 
ATOM   94   N N   . THR A 1 12  ? -21.369 -4.654  -30.011 1.00 14.63 ? 18  THR B N   1 
ATOM   95   C CA  . THR A 1 12  ? -22.345 -3.670  -30.564 1.00 15.64 ? 18  THR B CA  1 
ATOM   96   C C   . THR A 1 12  ? -23.612 -4.440  -30.922 1.00 15.59 ? 18  THR B C   1 
ATOM   97   O O   . THR A 1 12  ? -23.567 -5.659  -31.186 1.00 17.26 ? 18  THR B O   1 
ATOM   98   C CB  . THR A 1 12  ? -21.772 -2.906  -31.760 1.00 18.23 ? 18  THR B CB  1 
ATOM   99   O OG1 . THR A 1 12  ? -21.422 -3.806  -32.789 1.00 19.41 ? 18  THR B OG1 1 
ATOM   100  C CG2 . THR A 1 12  ? -20.580 -2.043  -31.392 1.00 20.94 ? 18  THR B CG2 1 
ATOM   101  N N   . LEU A 1 13  ? -24.749 -3.745  -30.890 1.00 14.80 ? 19  LEU B N   1 
ATOM   102  C CA  . LEU A 1 13  ? -26.041 -4.389  -31.195 1.00 15.04 ? 19  LEU B CA  1 
ATOM   103  C C   . LEU A 1 13  ? -26.324 -4.377  -32.692 1.00 14.13 ? 19  LEU B C   1 
ATOM   104  O O   . LEU A 1 13  ? -26.017 -3.340  -33.357 1.00 15.72 ? 19  LEU B O   1 
ATOM   105  C CB  . LEU A 1 13  ? -27.119 -3.657  -30.401 1.00 15.29 ? 19  LEU B CB  1 
ATOM   106  C CG  . LEU A 1 13  ? -26.922 -3.681  -28.889 1.00 15.83 ? 19  LEU B CG  1 
ATOM   107  C CD1 . LEU A 1 13  ? -27.904 -2.767  -28.163 1.00 17.50 ? 19  LEU B CD1 1 
ATOM   108  C CD2 . LEU A 1 13  ? -27.039 -5.107  -28.346 1.00 17.46 ? 19  LEU B CD2 1 
ATOM   109  N N   . ASP A 1 14  ? -26.937 -5.414  -33.188 1.00 13.87 ? 20  ASP B N   1 
ATOM   110  C CA  . ASP A 1 14  ? -27.314 -5.593  -34.607 1.00 13.94 ? 20  ASP B CA  1 
ATOM   111  C C   . ASP A 1 14  ? -28.800 -5.191  -34.773 1.00 15.27 ? 20  ASP B C   1 
ATOM   112  O O   . ASP A 1 14  ? -29.682 -5.988  -34.468 1.00 13.85 ? 20  ASP B O   1 
ATOM   113  C CB  . ASP A 1 14  ? -27.014 -7.005  -35.110 1.00 14.24 ? 20  ASP B CB  1 
ATOM   114  C CG  . ASP A 1 14  ? -27.353 -7.286  -36.558 1.00 18.96 ? 20  ASP B CG  1 
ATOM   115  O OD1 . ASP A 1 14  ? -27.976 -6.398  -37.176 1.00 18.06 ? 20  ASP B OD1 1 
ATOM   116  O OD2 . ASP A 1 14  ? -27.050 -8.401  -37.047 1.00 18.76 ? 20  ASP B OD2 1 
ATOM   117  N N   A ARG A 1 15  ? -29.015 -3.961  -35.267 0.25 15.93 ? 21  ARG B N   1 
ATOM   118  N N   B ARG A 1 15  ? -29.039 -3.972  -35.266 0.25 16.47 ? 21  ARG B N   1 
ATOM   119  C CA  A ARG A 1 15  ? -30.341 -3.345  -35.569 0.25 16.68 ? 21  ARG B CA  1 
ATOM   120  C CA  B ARG A 1 15  ? -30.400 -3.399  -35.465 0.25 17.42 ? 21  ARG B CA  1 
ATOM   121  C C   A ARG A 1 15  ? -31.246 -4.322  -36.317 0.25 16.04 ? 21  ARG B C   1 
ATOM   122  C C   B ARG A 1 15  ? -31.268 -4.328  -36.321 0.25 16.52 ? 21  ARG B C   1 
ATOM   123  O O   A ARG A 1 15  ? -32.459 -4.328  -36.050 0.25 15.42 ? 21  ARG B O   1 
ATOM   124  O O   B ARG A 1 15  ? -32.489 -4.339  -36.106 0.25 15.73 ? 21  ARG B O   1 
ATOM   125  C CB  A ARG A 1 15  ? -30.190 -2.110  -36.472 0.25 17.93 ? 21  ARG B CB  1 
ATOM   126  C CB  B ARG A 1 15  ? -30.311 -2.017  -36.126 0.25 19.76 ? 21  ARG B CB  1 
ATOM   127  C CG  A ARG A 1 15  ? -29.187 -1.077  -35.985 0.25 19.91 ? 21  ARG B CG  1 
ATOM   128  C CG  B ARG A 1 15  ? -29.838 -0.905  -35.204 0.25 22.32 ? 21  ARG B CG  1 
ATOM   129  C CD  A ARG A 1 15  ? -29.263 0.242   -36.745 0.25 19.83 ? 21  ARG B CD  1 
ATOM   130  C CD  B ARG A 1 15  ? -28.392 -0.506  -35.463 0.25 26.08 ? 21  ARG B CD  1 
ATOM   131  N NE  A ARG A 1 15  ? -28.697 1.296   -35.925 0.25 19.88 ? 21  ARG B NE  1 
ATOM   132  N NE  B ARG A 1 15  ? -28.205 0.472   -36.540 0.25 28.14 ? 21  ARG B NE  1 
ATOM   133  C CZ  A ARG A 1 15  ? -29.359 1.859   -34.937 0.25 18.63 ? 21  ARG B CZ  1 
ATOM   134  C CZ  B ARG A 1 15  ? -27.756 0.208   -37.768 0.25 31.13 ? 21  ARG B CZ  1 
ATOM   135  N NH1 A ARG A 1 15  ? -30.612 1.511   -34.727 0.25 19.70 ? 21  ARG B NH1 1 
ATOM   136  N NH1 B ARG A 1 15  ? -27.433 -1.021  -38.129 0.25 34.13 ? 21  ARG B NH1 1 
ATOM   137  N NH2 A ARG A 1 15  ? -28.785 2.775   -34.187 0.25 19.22 ? 21  ARG B NH2 1 
ATOM   138  N NH2 B ARG A 1 15  ? -27.628 1.189   -38.641 0.25 32.66 ? 21  ARG B NH2 1 
ATOM   139  N N   . ASN A 1 16  ? -30.690 -5.067  -37.272 1.00 15.68 ? 22  ASN B N   1 
ATOM   140  C CA  . ASN A 1 16  ? -31.492 -5.899  -38.185 1.00 17.05 ? 22  ASN B CA  1 
ATOM   141  C C   . ASN A 1 16  ? -32.156 -7.063  -37.466 1.00 15.57 ? 22  ASN B C   1 
ATOM   142  O O   . ASN A 1 16  ? -33.148 -7.566  -37.948 1.00 14.72 ? 22  ASN B O   1 
ATOM   143  C CB  . ASN A 1 16  ? -30.640 -6.332  -39.383 1.00 20.68 ? 22  ASN B CB  1 
ATOM   144  C CG  . ASN A 1 16  ? -30.410 -5.187  -40.347 1.00 27.20 ? 22  ASN B CG  1 
ATOM   145  O OD1 . ASN A 1 16  ? -31.186 -4.229  -40.393 1.00 35.50 ? 22  ASN B OD1 1 
ATOM   146  N ND2 . ASN A 1 16  ? -29.321 -5.266  -41.086 1.00 38.47 ? 22  ASN B ND2 1 
ATOM   147  N N   . THR A 1 17  ? -31.628 -7.471  -36.300 1.00 14.11 ? 23  THR B N   1 
ATOM   148  C CA  . THR A 1 17  ? -32.163 -8.577  -35.504 1.00 13.32 ? 23  THR B CA  1 
ATOM   149  C C   . THR A 1 17  ? -33.199 -8.090  -34.492 1.00 11.97 ? 23  THR B C   1 
ATOM   150  O O   . THR A 1 17  ? -33.857 -8.924  -33.875 1.00 12.25 ? 23  THR B O   1 
ATOM   151  C CB  . THR A 1 17  ? -31.074 -9.377  -34.778 1.00 12.89 ? 23  THR B CB  1 
ATOM   152  O OG1 . THR A 1 17  ? -30.514 -8.571  -33.741 1.00 13.54 ? 23  THR B OG1 1 
ATOM   153  C CG2 . THR A 1 17  ? -30.019 -9.901  -35.735 1.00 13.81 ? 23  THR B CG2 1 
ATOM   154  N N   . ALA A 1 18  ? -33.263 -6.792  -34.261 1.00 12.07 ? 24  ALA B N   1 
ATOM   155  C CA  . ALA A 1 18  ? -34.097 -6.228  -33.178 1.00 12.06 ? 24  ALA B CA  1 
ATOM   156  C C   . ALA A 1 18  ? -35.579 -6.446  -33.439 1.00 12.59 ? 24  ALA B C   1 
ATOM   157  O O   . ALA A 1 18  ? -36.064 -6.136  -34.550 1.00 13.81 ? 24  ALA B O   1 
ATOM   158  C CB  . ALA A 1 18  ? -33.796 -4.772  -33.009 1.00 13.24 ? 24  ALA B CB  1 
ATOM   159  N N   . ASN A 1 19  ? -36.346 -6.736  -32.410 1.00 12.03 ? 25  ASN B N   1 
ATOM   160  C CA  . ASN A 1 19  ? -37.809 -6.538  -32.448 1.00 12.01 ? 25  ASN B CA  1 
ATOM   161  C C   . ASN A 1 19  ? -38.069 -5.104  -32.929 1.00 12.40 ? 25  ASN B C   1 
ATOM   162  O O   . ASN A 1 19  ? -37.366 -4.164  -32.555 1.00 11.92 ? 25  ASN B O   1 
ATOM   163  C CB  . ASN A 1 19  ? -38.354 -6.859  -31.067 1.00 12.73 ? 25  ASN B CB  1 
ATOM   164  C CG  . ASN A 1 19  ? -39.830 -6.602  -31.011 1.00 15.22 ? 25  ASN B CG  1 
ATOM   165  O OD1 . ASN A 1 19  ? -40.259 -5.484  -30.754 1.00 14.33 ? 25  ASN B OD1 1 
ATOM   166  N ND2 . ASN A 1 19  ? -40.569 -7.602  -31.395 1.00 19.04 ? 25  ASN B ND2 1 
ATOM   167  N N   . SER A 1 20  ? -39.151 -4.931  -33.667 1.00 11.89 ? 26  SER B N   1 
ATOM   168  C CA  . SER A 1 20  ? -39.505 -3.656  -34.321 1.00 12.14 ? 26  SER B CA  1 
ATOM   169  C C   . SER A 1 20  ? -39.892 -2.564  -33.336 1.00 12.34 ? 26  SER B C   1 
ATOM   170  O O   . SER A 1 20  ? -39.982 -1.420  -33.797 1.00 13.45 ? 26  SER B O   1 
ATOM   171  C CB  . SER A 1 20  ? -40.620 -3.890  -35.318 1.00 13.47 ? 26  SER B CB  1 
ATOM   172  O OG  . SER A 1 20  ? -41.758 -4.361  -34.625 1.00 17.26 ? 26  SER B OG  1 
ATOM   173  N N   . TRP A 1 21  ? -40.083 -2.835  -32.060 1.00 11.35 ? 27  TRP B N   1 
ATOM   174  C CA  . TRP A 1 21  ? -40.377 -1.802  -31.043 1.00 11.63 ? 27  TRP B CA  1 
ATOM   175  C C   . TRP A 1 21  ? -39.128 -1.310  -30.333 1.00 12.81 ? 27  TRP B C   1 
ATOM   176  O O   . TRP A 1 21  ? -39.239 -0.385  -29.513 1.00 13.45 ? 27  TRP B O   1 
ATOM   177  C CB  . TRP A 1 21  ? -41.389 -2.313  -30.043 1.00 12.50 ? 27  TRP B CB  1 
ATOM   178  C CG  . TRP A 1 21  ? -42.782 -2.419  -30.607 1.00 12.62 ? 27  TRP B CG  1 
ATOM   179  C CD1 . TRP A 1 21  ? -43.177 -2.983  -31.788 1.00 13.56 ? 27  TRP B CD1 1 
ATOM   180  C CD2 . TRP A 1 21  ? -43.972 -2.012  -29.936 1.00 14.51 ? 27  TRP B CD2 1 
ATOM   181  N NE1 . TRP A 1 21  ? -44.549 -2.902  -31.913 1.00 15.95 ? 27  TRP B NE1 1 
ATOM   182  C CE2 . TRP A 1 21  ? -45.049 -2.330  -30.790 1.00 13.78 ? 27  TRP B CE2 1 
ATOM   183  C CE3 . TRP A 1 21  ? -44.212 -1.368  -28.720 1.00 16.31 ? 27  TRP B CE3 1 
ATOM   184  C CZ2 . TRP A 1 21  ? -46.378 -2.062  -30.427 1.00 17.51 ? 27  TRP B CZ2 1 
ATOM   185  C CZ3 . TRP A 1 21  ? -45.532 -1.123  -28.353 1.00 17.89 ? 27  TRP B CZ3 1 
ATOM   186  C CH2 . TRP A 1 21  ? -46.577 -1.492  -29.190 1.00 18.62 ? 27  TRP B CH2 1 
ATOM   187  N N   . LEU A 1 22  ? -37.957 -1.900  -30.640 1.00 12.23 ? 28  LEU B N   1 
ATOM   188  C CA  . LEU A 1 22  ? -36.732 -1.513  -29.904 1.00 12.94 ? 28  LEU B CA  1 
ATOM   189  C C   . LEU A 1 22  ? -36.123 -0.254  -30.524 1.00 12.35 ? 28  LEU B C   1 
ATOM   190  O O   . LEU A 1 22  ? -36.124 -0.085  -31.738 1.00 13.58 ? 28  LEU B O   1 
ATOM   191  C CB  . LEU A 1 22  ? -35.710 -2.657  -29.873 1.00 11.40 ? 28  LEU B CB  1 
ATOM   192  C CG  . LEU A 1 22  ? -36.164 -3.919  -29.143 1.00 13.24 ? 28  LEU B CG  1 
ATOM   193  C CD1 . LEU A 1 22  ? -35.044 -4.935  -29.121 1.00 13.08 ? 28  LEU B CD1 1 
ATOM   194  C CD2 . LEU A 1 22  ? -36.631 -3.644  -27.756 1.00 14.08 ? 28  LEU B CD2 1 
ATOM   195  N N   . ILE A 1 23  ? -35.482 0.509   -29.657 1.00 11.74 ? 29  ILE B N   1 
ATOM   196  C CA  . ILE A 1 23  ? -34.687 1.701   -30.050 1.00 13.30 ? 29  ILE B CA  1 
ATOM   197  C C   . ILE A 1 23  ? -33.256 1.480   -29.601 1.00 12.97 ? 29  ILE B C   1 
ATOM   198  O O   . ILE A 1 23  ? -33.006 1.387   -28.374 1.00 13.63 ? 29  ILE B O   1 
ATOM   199  C CB  . ILE A 1 23  ? -35.245 2.964   -29.445 1.00 13.69 ? 29  ILE B CB  1 
ATOM   200  C CG1 . ILE A 1 23  ? -36.712 3.219   -29.864 1.00 13.78 ? 29  ILE B CG1 1 
ATOM   201  C CG2 . ILE A 1 23  ? -34.392 4.190   -29.854 1.00 15.10 ? 29  ILE B CG2 1 
ATOM   202  C CD1 . ILE A 1 23  ? -37.359 4.300   -29.124 1.00 15.34 ? 29  ILE B CD1 1 
ATOM   203  N N   . ILE A 1 24  ? -32.387 1.369   -30.596 1.00 15.17 ? 30  ILE B N   1 
ATOM   204  C CA  . ILE A 1 24  ? -30.929 1.173   -30.400 1.00 15.62 ? 30  ILE B CA  1 
ATOM   205  C C   . ILE A 1 24  ? -30.248 2.517   -30.570 1.00 17.06 ? 30  ILE B C   1 
ATOM   206  O O   . ILE A 1 24  ? -30.508 3.235   -31.600 1.00 18.22 ? 30  ILE B O   1 
ATOM   207  C CB  . ILE A 1 24  ? -30.405 0.099   -31.333 1.00 16.38 ? 30  ILE B CB  1 
ATOM   208  C CG1 . ILE A 1 24  ? -30.941 -1.270  -30.940 1.00 19.20 ? 30  ILE B CG1 1 
ATOM   209  C CG2 . ILE A 1 24  ? -28.877 0.092   -31.321 1.00 16.25 ? 30  ILE B CG2 1 
ATOM   210  C CD1 . ILE A 1 24  ? -30.700 -2.266  -31.897 1.00 22.04 ? 30  ILE B CD1 1 
ATOM   211  N N   . SER A 1 25  ? -29.376 2.887   -29.655 1.00 16.08 ? 31  SER B N   1 
ATOM   212  C CA  . SER A 1 25  ? -28.660 4.174   -29.706 1.00 16.67 ? 31  SER B CA  1 
ATOM   213  C C   . SER A 1 25  ? -27.739 4.236   -30.937 1.00 14.89 ? 31  SER B C   1 
ATOM   214  O O   . SER A 1 25  ? -27.388 3.235   -31.526 1.00 16.27 ? 31  SER B O   1 
ATOM   215  C CB  . SER A 1 25  ? -27.926 4.346   -28.420 1.00 17.88 ? 31  SER B CB  1 
ATOM   216  O OG  . SER A 1 25  ? -26.964 3.315   -28.287 1.00 17.52 ? 31  SER B OG  1 
ATOM   217  N N   . LYS A 1 26  ? -27.377 5.471   -31.303 1.00 18.71 ? 32  LYS B N   1 
ATOM   218  C CA  . LYS A 1 26  ? -26.474 5.745   -32.450 1.00 19.77 ? 32  LYS B CA  1 
ATOM   219  C C   . LYS A 1 26  ? -25.182 4.922   -32.352 1.00 17.45 ? 32  LYS B C   1 
ATOM   220  O O   . LYS A 1 26  ? -24.706 4.451   -33.378 1.00 20.81 ? 32  LYS B O   1 
ATOM   221  C CB  . LYS A 1 26  ? -26.155 7.247   -32.450 1.00 23.22 ? 32  LYS B CB  1 
ATOM   222  C CG  . LYS A 1 26  ? -25.226 7.686   -33.552 1.00 27.26 ? 32  LYS B CG  1 
ATOM   223  C CD  . LYS A 1 26  ? -25.366 9.159   -33.782 1.00 26.80 ? 32  LYS B CD  1 
ATOM   224  C CE  . LYS A 1 26  ? -25.283 9.930   -32.490 1.00 31.97 ? 32  LYS B CE  1 
ATOM   225  N NZ  . LYS A 1 26  ? -25.323 11.370  -32.797 1.00 37.02 ? 32  LYS B NZ  1 
ATOM   226  N N   . ASP A 1 27  ? -24.624 4.825   -31.147 1.00 18.80 ? 33  ASP B N   1 
ATOM   227  C CA  . ASP A 1 27  ? -23.332 4.101   -30.937 1.00 18.17 ? 33  ASP B CA  1 
ATOM   228  C C   . ASP A 1 27  ? -23.557 2.580   -30.911 1.00 17.64 ? 33  ASP B C   1 
ATOM   229  O O   . ASP A 1 27  ? -22.565 1.830   -30.806 1.00 17.29 ? 33  ASP B O   1 
ATOM   230  C CB  . ASP A 1 27  ? -22.592 4.597   -29.699 1.00 19.55 ? 33  ASP B CB  1 
ATOM   231  C CG  . ASP A 1 27  ? -23.263 4.342   -28.366 1.00 20.22 ? 33  ASP B CG  1 
ATOM   232  O OD1 . ASP A 1 27  ? -24.355 3.698   -28.359 1.00 19.99 ? 33  ASP B OD1 1 
ATOM   233  O OD2 . ASP A 1 27  ? -22.674 4.773   -27.365 1.00 23.30 ? 33  ASP B OD2 1 
ATOM   234  N N   . ARG A 1 28  ? -24.788 2.109   -30.999 1.00 15.84 ? 34  ARG B N   1 
ATOM   235  C CA  . ARG A 1 28  ? -25.126 0.671   -31.007 1.00 15.19 ? 34  ARG B CA  1 
ATOM   236  C C   . ARG A 1 28  ? -24.704 0.009   -29.671 1.00 12.89 ? 34  ARG B C   1 
ATOM   237  O O   . ARG A 1 28  ? -24.559 -1.227  -29.648 1.00 13.94 ? 34  ARG B O   1 
ATOM   238  C CB  . ARG A 1 28  ? -24.584 -0.025  -32.259 1.00 18.41 ? 34  ARG B CB  1 
ATOM   239  C CG  . ARG A 1 28  ? -25.237 0.524   -33.525 1.00 23.47 ? 34  ARG B CG  1 
ATOM   240  C CD  . ARG A 1 28  ? -24.832 -0.143  -34.803 1.00 32.20 ? 34  ARG B CD  1 
ATOM   241  N NE  . ARG A 1 28  ? -23.403 -0.323  -34.943 1.00 40.25 ? 34  ARG B NE  1 
ATOM   242  C CZ  . ARG A 1 28  ? -22.740 -1.494  -34.881 1.00 55.03 ? 34  ARG B CZ  1 
ATOM   243  N NH1 . ARG A 1 28  ? -23.363 -2.657  -34.670 1.00 50.41 ? 34  ARG B NH1 1 
ATOM   244  N NH2 . ARG A 1 28  ? -21.423 -1.486  -35.046 1.00 59.01 ? 34  ARG B NH2 1 
ATOM   245  N N   . ARG A 1 29  ? -24.681 0.753   -28.591 1.00 12.36 ? 35  ARG B N   1 
ATOM   246  C CA  . ARG A 1 29  ? -24.284 0.222   -27.265 1.00 14.27 ? 35  ARG B CA  1 
ATOM   247  C C   . ARG A 1 29  ? -25.426 0.235   -26.258 1.00 14.00 ? 35  ARG B C   1 
ATOM   248  O O   . ARG A 1 29  ? -25.255 -0.342  -25.175 1.00 15.00 ? 35  ARG B O   1 
ATOM   249  C CB  . ARG A 1 29  ? -23.113 1.009   -26.674 1.00 15.47 ? 35  ARG B CB  1 
ATOM   250  C CG  . ARG A 1 29  ? -21.893 0.904   -27.571 1.00 17.48 ? 35  ARG B CG  1 
ATOM   251  C CD  . ARG A 1 29  ? -21.026 -0.278  -27.309 1.00 18.31 ? 35  ARG B CD  1 
ATOM   252  N NE  . ARG A 1 29  ? -20.266 -0.082  -26.084 1.00 19.82 ? 35  ARG B NE  1 
ATOM   253  C CZ  . ARG A 1 29  ? -19.546 -1.039  -25.493 1.00 18.85 ? 35  ARG B CZ  1 
ATOM   254  N NH1 . ARG A 1 29  ? -19.478 -2.227  -26.046 1.00 18.90 ? 35  ARG B NH1 1 
ATOM   255  N NH2 . ARG A 1 29  ? -18.876 -0.772  -24.396 1.00 20.29 ? 35  ARG B NH2 1 
ATOM   256  N N   . GLN A 1 30  ? -26.593 0.805   -26.561 1.00 12.96 ? 36  GLN B N   1 
ATOM   257  C CA  . GLN A 1 30  ? -27.745 0.859   -25.647 1.00 13.63 ? 36  GLN B CA  1 
ATOM   258  C C   . GLN A 1 30  ? -29.008 0.471   -26.407 1.00 13.27 ? 36  GLN B C   1 
ATOM   259  O O   . GLN A 1 30  ? -29.137 0.710   -27.641 1.00 12.75 ? 36  GLN B O   1 
ATOM   260  C CB  . GLN A 1 30  ? -27.972 2.252   -25.066 1.00 16.09 ? 36  GLN B CB  1 
ATOM   261  C CG  . GLN A 1 30  ? -26.731 2.861   -24.480 1.00 19.48 ? 36  GLN B CG  1 
ATOM   262  C CD  . GLN A 1 30  ? -27.077 4.110   -23.703 1.00 23.51 ? 36  GLN B CD  1 
ATOM   263  O OE1 . GLN A 1 30  ? -28.221 4.344   -23.304 1.00 26.72 ? 36  GLN B OE1 1 
ATOM   264  N NE2 . GLN A 1 30  ? -26.069 4.918   -23.469 1.00 29.15 ? 36  GLN B NE2 1 
ATOM   265  N N   . VAL A 1 31  ? -29.936 -0.159  -25.700 1.00 11.74 ? 37  VAL B N   1 
ATOM   266  C CA  . VAL A 1 31  ? -31.240 -0.537  -26.291 1.00 11.84 ? 37  VAL B CA  1 
ATOM   267  C C   . VAL A 1 31  ? -32.326 -0.354  -25.237 1.00 12.44 ? 37  VAL B C   1 
ATOM   268  O O   . VAL A 1 31  ? -32.138 -0.758  -24.104 1.00 12.09 ? 37  VAL B O   1 
ATOM   269  C CB  . VAL A 1 31  ? -31.194 -1.944  -26.900 1.00 11.58 ? 37  VAL B CB  1 
ATOM   270  C CG1 . VAL A 1 31  ? -30.776 -3.034  -25.893 1.00 11.64 ? 37  VAL B CG1 1 
ATOM   271  C CG2 . VAL A 1 31  ? -32.524 -2.320  -27.554 1.00 12.67 ? 37  VAL B CG2 1 
ATOM   272  N N   . ARG A 1 32  ? -33.475 0.121   -25.666 1.00 12.74 ? 38  ARG B N   1 
ATOM   273  C CA  . ARG A 1 32  ? -34.663 0.209   -24.806 1.00 12.81 ? 38  ARG B CA  1 
ATOM   274  C C   . ARG A 1 32  ? -35.915 -0.094  -25.630 1.00 13.10 ? 38  ARG B C   1 
ATOM   275  O O   . ARG A 1 32  ? -35.916 -0.017  -26.856 1.00 12.42 ? 38  ARG B O   1 
ATOM   276  C CB  . ARG A 1 32  ? -34.791 1.579   -24.145 1.00 14.44 ? 38  ARG B CB  1 
ATOM   277  C CG  . ARG A 1 32  ? -35.054 2.695   -25.140 1.00 16.85 ? 38  ARG B CG  1 
ATOM   278  C CD  . ARG A 1 32  ? -34.985 4.030   -24.392 1.00 20.15 ? 38  ARG B CD  1 
ATOM   279  N NE  . ARG A 1 32  ? -35.267 5.145   -25.279 1.00 24.78 ? 38  ARG B NE  1 
ATOM   280  C CZ  . ARG A 1 32  ? -36.464 5.635   -25.545 1.00 21.58 ? 38  ARG B CZ  1 
ATOM   281  N NH1 . ARG A 1 32  ? -37.564 5.096   -25.057 1.00 26.26 ? 38  ARG B NH1 1 
ATOM   282  N NH2 . ARG A 1 32  ? -36.544 6.683   -26.371 1.00 27.93 ? 38  ARG B NH2 1 
ATOM   283  N N   A MET A 1 33  ? -36.967 -0.407  -24.879 0.25 12.59 ? 39  MET B N   1 
ATOM   284  N N   B MET A 1 33  ? -36.988 -0.500  -24.953 0.25 13.56 ? 39  MET B N   1 
ATOM   285  C CA  A MET A 1 33  ? -38.339 -0.610  -25.398 0.25 13.99 ? 39  MET B CA  1 
ATOM   286  C CA  B MET A 1 33  ? -38.272 -0.784  -25.656 0.25 15.09 ? 39  MET B CA  1 
ATOM   287  C C   A MET A 1 33  ? -38.905 0.753   -25.798 0.25 13.87 ? 39  MET B C   1 
ATOM   288  C C   B MET A 1 33  ? -39.045 0.527   -25.781 0.25 14.83 ? 39  MET B C   1 
ATOM   289  O O   A MET A 1 33  ? -38.867 1.707   -24.999 0.25 14.20 ? 39  MET B O   1 
ATOM   290  O O   B MET A 1 33  ? -39.365 1.138   -24.724 0.25 14.64 ? 39  MET B O   1 
ATOM   291  C CB  A MET A 1 33  ? -39.197 -1.257  -24.307 0.25 14.35 ? 39  MET B CB  1 
ATOM   292  C CB  B MET A 1 33  ? -39.150 -1.818  -24.941 0.25 17.19 ? 39  MET B CB  1 
ATOM   293  C CG  A MET A 1 33  ? -40.615 -1.604  -24.753 0.25 15.89 ? 39  MET B CG  1 
ATOM   294  C CG  B MET A 1 33  ? -40.498 -2.053  -25.670 0.25 19.77 ? 39  MET B CG  1 
ATOM   295  S SD  A MET A 1 33  ? -40.626 -2.674  -26.250 0.25 18.34 ? 39  MET B SD  1 
ATOM   296  S SD  B MET A 1 33  ? -41.281 -3.615  -25.185 0.25 22.07 ? 39  MET B SD  1 
ATOM   297  C CE  A MET A 1 33  ? -42.317 -3.273  -26.255 0.25 18.12 ? 39  MET B CE  1 
ATOM   298  C CE  B MET A 1 33  ? -42.382 -3.863  -26.574 0.25 21.68 ? 39  MET B CE  1 
ATOM   299  N N   . GLY A 1 34  ? -39.359 0.871   -27.040 1.00 14.33 ? 40  GLY B N   1 
ATOM   300  C CA  . GLY A 1 34  ? -40.132 2.054   -27.441 1.00 16.23 ? 40  GLY B CA  1 
ATOM   301  C C   . GLY A 1 34  ? -41.592 1.888   -27.056 1.00 16.64 ? 40  GLY B C   1 
ATOM   302  O O   . GLY A 1 34  ? -42.007 0.787   -26.645 1.00 17.50 ? 40  GLY B O   1 
ATOM   303  N N   . ASP A 1 35  ? -42.347 2.994   -27.119 1.00 20.52 ? 41  ASP B N   1 
ATOM   304  C CA  . ASP A 1 35  ? -43.781 2.917   -26.691 1.00 23.31 ? 41  ASP B CA  1 
ATOM   305  C C   . ASP A 1 35  ? -44.637 2.529   -27.921 1.00 22.37 ? 41  ASP B C   1 
ATOM   306  O O   . ASP A 1 35  ? -45.875 2.342   -27.757 1.00 21.55 ? 41  ASP B O   1 
ATOM   307  C CB  . ASP A 1 35  ? -44.205 4.181   -25.914 1.00 29.53 ? 41  ASP B CB  1 
ATOM   308  C CG  . ASP A 1 35  ? -43.817 4.193   -24.419 1.00 43.30 ? 41  ASP B CG  1 
ATOM   309  O OD1 . ASP A 1 35  ? -43.581 3.098   -23.841 1.00 47.87 ? 41  ASP B OD1 1 
ATOM   310  O OD2 . ASP A 1 35  ? -43.772 5.297   -23.803 1.00 44.16 ? 41  ASP B OD2 1 
ATOM   311  N N   . THR A 1 36  ? -44.018 2.235   -29.058 1.00 17.95 ? 42  THR B N   1 
ATOM   312  C CA  . THR A 1 36  ? -44.742 1.910   -30.328 1.00 17.17 ? 42  THR B CA  1 
ATOM   313  C C   . THR A 1 36  ? -43.807 1.220   -31.342 1.00 14.25 ? 42  THR B C   1 
ATOM   314  O O   . THR A 1 36  ? -42.533 1.180   -31.143 1.00 13.55 ? 42  THR B O   1 
ATOM   315  C CB  . THR A 1 36  ? -45.326 3.222   -30.863 1.00 17.90 ? 42  THR B CB  1 
ATOM   316  O OG1 . THR A 1 36  ? -46.209 2.909   -31.912 1.00 18.86 ? 42  THR B OG1 1 
ATOM   317  C CG2 . THR A 1 36  ? -44.254 4.144   -31.398 1.00 19.55 ? 42  THR B CG2 1 
ATOM   318  N N   . HIS A 1 37  ? -44.301 0.757   -32.496 1.00 14.40 ? 43  HIS B N   1 
ATOM   319  C CA  . HIS A 1 37  ? -43.478 0.279   -33.635 1.00 13.40 ? 43  HIS B CA  1 
ATOM   320  C C   . HIS A 1 37  ? -42.536 1.376   -34.080 1.00 15.11 ? 43  HIS B C   1 
ATOM   321  O O   . HIS A 1 37  ? -43.008 2.529   -34.270 1.00 15.64 ? 43  HIS B O   1 
ATOM   322  C CB  . HIS A 1 37  ? -44.449 -0.206  -34.724 1.00 13.40 ? 43  HIS B CB  1 
ATOM   323  C CG  . HIS A 1 37  ? -43.831 -0.855  -35.903 1.00 13.44 ? 43  HIS B CG  1 
ATOM   324  N ND1 . HIS A 1 37  ? -43.039 -0.194  -36.831 1.00 13.07 ? 43  HIS B ND1 1 
ATOM   325  C CD2 . HIS A 1 37  ? -43.957 -2.125  -36.356 1.00 13.28 ? 43  HIS B CD2 1 
ATOM   326  C CE1 . HIS A 1 37  ? -42.703 -1.037  -37.776 1.00 13.64 ? 43  HIS B CE1 1 
ATOM   327  N NE2 . HIS A 1 37  ? -43.237 -2.267  -37.486 1.00 13.80 ? 43  HIS B NE2 1 
ATOM   328  N N   . GLN A 1 38  ? -41.261 1.052   -34.296 1.00 14.07 ? 44  GLN B N   1 
ATOM   329  C CA  . GLN A 1 38  ? -40.245 2.068   -34.584 1.00 13.50 ? 44  GLN B CA  1 
ATOM   330  C C   . GLN A 1 38  ? -40.054 2.312   -36.087 1.00 14.90 ? 44  GLN B C   1 
ATOM   331  O O   . GLN A 1 38  ? -39.025 2.922   -36.484 1.00 15.45 ? 44  GLN B O   1 
ATOM   332  C CB  . GLN A 1 38  ? -38.946 1.669   -33.886 1.00 14.03 ? 44  GLN B CB  1 
ATOM   333  C CG  . GLN A 1 38  ? -39.064 1.761   -32.397 1.00 14.19 ? 44  GLN B CG  1 
ATOM   334  C CD  . GLN A 1 38  ? -39.554 3.077   -31.866 1.00 13.78 ? 44  GLN B CD  1 
ATOM   335  O OE1 . GLN A 1 38  ? -40.525 3.199   -31.091 1.00 17.69 ? 44  GLN B OE1 1 
ATOM   336  N NE2 . GLN A 1 38  ? -38.930 4.133   -32.319 1.00 13.05 ? 44  GLN B NE2 1 
ATOM   337  N N   . ASN A 1 39  ? -41.009 1.921   -36.915 1.00 14.28 ? 45  ASN B N   1 
ATOM   338  C CA  . ASN A 1 39  ? -41.084 2.417   -38.321 1.00 13.47 ? 45  ASN B CA  1 
ATOM   339  C C   . ASN A 1 39  ? -39.996 1.794   -39.174 1.00 14.65 ? 45  ASN B C   1 
ATOM   340  O O   . ASN A 1 39  ? -39.530 2.406   -40.134 1.00 16.15 ? 45  ASN B O   1 
ATOM   341  C CB  . ASN A 1 39  ? -41.175 3.957   -38.420 1.00 14.56 ? 45  ASN B CB  1 
ATOM   342  C CG  . ASN A 1 39  ? -41.773 4.375   -39.758 1.00 14.34 ? 45  ASN B CG  1 
ATOM   343  O OD1 . ASN A 1 39  ? -42.664 3.708   -40.289 1.00 13.72 ? 45  ASN B OD1 1 
ATOM   344  N ND2 . ASN A 1 39  ? -41.325 5.521   -40.311 1.00 13.74 ? 45  ASN B ND2 1 
ATOM   345  N N   . VAL A 1 40  ? -39.657 0.542   -38.892 1.00 16.27 ? 46  VAL B N   1 
ATOM   346  C CA  . VAL A 1 40  ? -38.690 -0.274  -39.677 1.00 16.69 ? 46  VAL B CA  1 
ATOM   347  C C   . VAL A 1 40  ? -39.440 -1.331  -40.506 1.00 15.36 ? 46  VAL B C   1 
ATOM   348  O O   . VAL A 1 40  ? -40.514 -1.750  -40.099 1.00 16.38 ? 46  VAL B O   1 
ATOM   349  C CB  . VAL A 1 40  ? -37.650 -0.933  -38.760 1.00 17.06 ? 46  VAL B CB  1 
ATOM   350  C CG1 . VAL A 1 40  ? -36.774 0.137   -38.125 1.00 19.50 ? 46  VAL B CG1 1 
ATOM   351  C CG2 . VAL A 1 40  ? -38.267 -1.819  -37.688 1.00 18.65 ? 46  VAL B CG2 1 
ATOM   352  N N   . SER A 1 41  ? -38.863 -1.794  -41.606 1.00 17.38 ? 47  SER B N   1 
ATOM   353  C CA  . SER A 1 41  ? -39.410 -2.931  -42.367 1.00 18.35 ? 47  SER B CA  1 
ATOM   354  C C   . SER A 1 41  ? -39.212 -4.234  -41.601 1.00 17.94 ? 47  SER B C   1 
ATOM   355  O O   . SER A 1 41  ? -38.274 -4.350  -40.793 1.00 17.30 ? 47  SER B O   1 
ATOM   356  C CB  . SER A 1 41  ? -38.799 -2.983  -43.754 1.00 21.35 ? 47  SER B CB  1 
ATOM   357  O OG  . SER A 1 41  ? -37.407 -3.172  -43.663 1.00 24.19 ? 47  SER B OG  1 
ATOM   358  N N   . ASP A 1 42  ? -40.057 -5.214  -41.835 1.00 17.22 ? 48  ASP B N   1 
ATOM   359  C CA  . ASP A 1 42  ? -39.916 -6.567  -41.274 1.00 16.93 ? 48  ASP B CA  1 
ATOM   360  C C   . ASP A 1 42  ? -38.861 -7.314  -42.079 1.00 18.16 ? 48  ASP B C   1 
ATOM   361  O O   . ASP A 1 42  ? -38.592 -6.976  -43.244 1.00 19.56 ? 48  ASP B O   1 
ATOM   362  C CB  . ASP A 1 42  ? -41.247 -7.293  -41.245 1.00 19.22 ? 48  ASP B CB  1 
ATOM   363  C CG  . ASP A 1 42  ? -41.167 -8.529  -40.385 1.00 24.56 ? 48  ASP B CG  1 
ATOM   364  O OD1 . ASP A 1 42  ? -40.426 -8.534  -39.303 1.00 18.65 ? 48  ASP B OD1 1 
ATOM   365  O OD2 . ASP A 1 42  ? -41.693 -9.538  -40.904 1.00 33.14 ? 48  ASP B OD2 1 
ATOM   366  N N   . ASN A 1 43  ? -38.228 -8.297  -41.430 1.00 16.44 ? 49  ASN B N   1 
ATOM   367  C CA  . ASN A 1 43  ? -37.227 -9.174  -42.083 1.00 17.76 ? 49  ASN B CA  1 
ATOM   368  C C   . ASN A 1 43  ? -37.152 -10.474 -41.283 1.00 17.89 ? 49  ASN B C   1 
ATOM   369  O O   . ASN A 1 43  ? -37.762 -10.578 -40.182 1.00 17.51 ? 49  ASN B O   1 
ATOM   370  C CB  . ASN A 1 43  ? -35.884 -8.495  -42.264 1.00 17.28 ? 49  ASN B CB  1 
ATOM   371  C CG  . ASN A 1 43  ? -35.156 -8.299  -40.950 1.00 17.33 ? 49  ASN B CG  1 
ATOM   372  O OD1 . ASN A 1 43  ? -34.985 -9.255  -40.193 1.00 19.38 ? 49  ASN B OD1 1 
ATOM   373  N ND2 . ASN A 1 43  ? -34.760 -7.114  -40.638 1.00 16.53 ? 49  ASN B ND2 1 
ATOM   374  N N   . LYS A 1 44  ? -36.548 -11.504 -41.854 1.00 19.26 ? 50  LYS B N   1 
ATOM   375  C CA  . LYS A 1 44  ? -36.596 -12.851 -41.242 1.00 20.30 ? 50  LYS B CA  1 
ATOM   376  C C   . LYS A 1 44  ? -35.697 -12.906 -39.987 1.00 17.52 ? 50  LYS B C   1 
ATOM   377  O O   . LYS A 1 44  ? -35.873 -13.886 -39.216 1.00 18.64 ? 50  LYS B O   1 
ATOM   378  C CB  . LYS A 1 44  ? -36.103 -13.890 -42.263 1.00 24.30 ? 50  LYS B CB  1 
ATOM   379  C CG  . LYS A 1 44  ? -34.651 -13.721 -42.655 1.00 28.27 ? 50  LYS B CG  1 
ATOM   380  C CD  . LYS A 1 44  ? -34.224 -14.488 -43.902 1.00 39.11 ? 50  LYS B CD  1 
ATOM   381  C CE  . LYS A 1 44  ? -32.719 -14.495 -44.051 1.00 43.19 ? 50  LYS B CE  1 
ATOM   382  N NZ  . LYS A 1 44  ? -32.289 -15.606 -44.929 1.00 50.00 ? 50  LYS B NZ  1 
ATOM   383  N N   . GLU A 1 45  ? -34.799 -11.949 -39.801 1.00 16.71 ? 51  GLU B N   1 
ATOM   384  C CA  . GLU A 1 45  ? -33.894 -11.952 -38.602 1.00 16.48 ? 51  GLU B CA  1 
ATOM   385  C C   . GLU A 1 45  ? -34.621 -11.421 -37.351 1.00 16.88 ? 51  GLU B C   1 
ATOM   386  O O   . GLU A 1 45  ? -34.174 -11.741 -36.228 1.00 16.86 ? 51  GLU B O   1 
ATOM   387  C CB  . GLU A 1 45  ? -32.657 -11.115 -38.859 1.00 19.21 ? 51  GLU B CB  1 
ATOM   388  C CG  . GLU A 1 45  ? -31.795 -11.550 -40.053 1.00 22.73 ? 51  GLU B CG  1 
ATOM   389  C CD  . GLU A 1 45  ? -30.627 -10.595 -40.253 1.00 30.89 ? 51  GLU B CD  1 
ATOM   390  O OE1 . GLU A 1 45  ? -30.598 -9.864  -41.293 1.00 39.46 ? 51  GLU B OE1 1 
ATOM   391  O OE2 . GLU A 1 45  ? -29.766 -10.514 -39.367 1.00 35.89 ? 51  GLU B OE2 1 
ATOM   392  N N   . ARG A 1 46  ? -35.643 -10.577 -37.469 1.00 14.31 ? 52  ARG B N   1 
ATOM   393  C CA  . ARG A 1 46  ? -36.189 -9.879  -36.281 1.00 14.58 ? 52  ARG B CA  1 
ATOM   394  C C   . ARG A 1 46  ? -36.894 -10.834 -35.338 1.00 14.05 ? 52  ARG B C   1 
ATOM   395  O O   . ARG A 1 46  ? -37.748 -11.663 -35.735 1.00 14.81 ? 52  ARG B O   1 
ATOM   396  C CB  . ARG A 1 46  ? -37.186 -8.785  -36.695 1.00 13.52 ? 52  ARG B CB  1 
ATOM   397  C CG  . ARG A 1 46  ? -36.597 -7.645  -37.480 1.00 15.05 ? 52  ARG B CG  1 
ATOM   398  C CD  . ARG A 1 46  ? -37.523 -6.414  -37.452 1.00 13.79 ? 52  ARG B CD  1 
ATOM   399  N NE  . ARG A 1 46  ? -36.998 -5.397  -38.331 1.00 15.16 ? 52  ARG B NE  1 
ATOM   400  C CZ  . ARG A 1 46  ? -35.901 -4.681  -38.121 1.00 14.56 ? 52  ARG B CZ  1 
ATOM   401  N NH1 . ARG A 1 46  ? -35.274 -4.698  -36.946 1.00 14.38 ? 52  ARG B NH1 1 
ATOM   402  N NH2 . ARG A 1 46  ? -35.443 -3.861  -39.066 1.00 18.85 ? 52  ARG B NH2 1 
ATOM   403  N N   . PHE A 1 47  ? -36.607 -10.745 -34.046 1.00 12.51 ? 53  PHE B N   1 
ATOM   404  C CA  . PHE A 1 47  ? -37.424 -11.449 -33.054 1.00 12.37 ? 53  PHE B CA  1 
ATOM   405  C C   . PHE A 1 47  ? -38.841 -10.847 -33.079 1.00 14.69 ? 53  PHE B C   1 
ATOM   406  O O   . PHE A 1 47  ? -38.993 -9.637  -32.833 1.00 14.65 ? 53  PHE B O   1 
ATOM   407  C CB  . PHE A 1 47  ? -36.818 -11.349 -31.669 1.00 12.57 ? 53  PHE B CB  1 
ATOM   408  C CG  . PHE A 1 47  ? -35.577 -12.198 -31.520 1.00 11.80 ? 53  PHE B CG  1 
ATOM   409  C CD1 . PHE A 1 47  ? -35.695 -13.554 -31.235 1.00 12.14 ? 53  PHE B CD1 1 
ATOM   410  C CD2 . PHE A 1 47  ? -34.307 -11.652 -31.612 1.00 12.90 ? 53  PHE B CD2 1 
ATOM   411  C CE1 . PHE A 1 47  ? -34.567 -14.345 -31.092 1.00 13.44 ? 53  PHE B CE1 1 
ATOM   412  C CE2 . PHE A 1 47  ? -33.179 -12.469 -31.465 1.00 13.18 ? 53  PHE B CE2 1 
ATOM   413  C CZ  . PHE A 1 47  ? -33.330 -13.816 -31.223 1.00 11.64 ? 53  PHE B CZ  1 
ATOM   414  N N   . SER A 1 48  ? -39.859 -11.648 -33.300 1.00 15.12 ? 54  SER B N   1 
ATOM   415  C CA  . SER A 1 48  ? -41.237 -11.120 -33.505 1.00 16.57 ? 54  SER B CA  1 
ATOM   416  C C   . SER A 1 48  ? -42.001 -11.009 -32.200 1.00 15.95 ? 54  SER B C   1 
ATOM   417  O O   . SER A 1 48  ? -42.786 -10.038 -32.077 1.00 18.62 ? 54  SER B O   1 
ATOM   418  C CB  . SER A 1 48  ? -41.988 -11.965 -34.507 1.00 17.00 ? 54  SER B CB  1 
ATOM   419  O OG  . SER A 1 48  ? -42.140 -13.291 -34.095 1.00 16.68 ? 54  SER B OG  1 
ATOM   420  N N   . ASN A 1 49  ? -41.861 -11.926 -31.264 1.00 14.42 ? 55  ASN B N   1 
ATOM   421  C CA  . ASN A 1 49  ? -42.792 -12.085 -30.121 1.00 15.52 ? 55  ASN B CA  1 
ATOM   422  C C   . ASN A 1 49  ? -42.286 -11.401 -28.860 1.00 15.19 ? 55  ASN B C   1 
ATOM   423  O O   . ASN A 1 49  ? -43.056 -11.307 -27.892 1.00 16.06 ? 55  ASN B O   1 
ATOM   424  C CB  . ASN A 1 49  ? -43.126 -13.544 -29.828 1.00 17.17 ? 55  ASN B CB  1 
ATOM   425  C CG  . ASN A 1 49  ? -44.039 -14.180 -30.871 1.00 19.43 ? 55  ASN B CG  1 
ATOM   426  O OD1 . ASN A 1 49  ? -43.862 -14.021 -32.078 1.00 20.84 ? 55  ASN B OD1 1 
ATOM   427  N ND2 . ASN A 1 49  ? -44.994 -14.949 -30.375 1.00 25.36 ? 55  ASN B ND2 1 
ATOM   428  N N   . TYR A 1 50  ? -40.984 -11.087 -28.790 1.00 12.99 ? 56  TYR B N   1 
ATOM   429  C CA  . TYR A 1 50  ? -40.377 -10.616 -27.534 1.00 12.17 ? 56  TYR B CA  1 
ATOM   430  C C   . TYR A 1 50  ? -39.430 -9.462  -27.844 1.00 11.55 ? 56  TYR B C   1 
ATOM   431  O O   . TYR A 1 50  ? -38.896 -9.378  -28.958 1.00 12.54 ? 56  TYR B O   1 
ATOM   432  C CB  . TYR A 1 50  ? -39.555 -11.745 -26.885 1.00 12.72 ? 56  TYR B CB  1 
ATOM   433  C CG  . TYR A 1 50  ? -40.241 -13.089 -26.788 1.00 13.47 ? 56  TYR B CG  1 
ATOM   434  C CD1 . TYR A 1 50  ? -41.235 -13.274 -25.844 1.00 16.06 ? 56  TYR B CD1 1 
ATOM   435  C CD2 . TYR A 1 50  ? -39.992 -14.149 -27.657 1.00 14.47 ? 56  TYR B CD2 1 
ATOM   436  C CE1 . TYR A 1 50  ? -41.900 -14.493 -25.710 1.00 18.80 ? 56  TYR B CE1 1 
ATOM   437  C CE2 . TYR A 1 50  ? -40.697 -15.345 -27.590 1.00 15.91 ? 56  TYR B CE2 1 
ATOM   438  C CZ  . TYR A 1 50  ? -41.630 -15.528 -26.584 1.00 16.77 ? 56  TYR B CZ  1 
ATOM   439  O OH  . TYR A 1 50  ? -42.278 -16.747 -26.495 1.00 17.64 ? 56  TYR B OH  1 
ATOM   440  N N   . PRO A 1 51  ? -39.111 -8.600  -26.857 1.00 11.15 ? 57  PRO B N   1 
ATOM   441  C CA  . PRO A 1 51  ? -38.271 -7.445  -27.101 1.00 11.70 ? 57  PRO B CA  1 
ATOM   442  C C   . PRO A 1 51  ? -36.754 -7.760  -27.056 1.00 10.52 ? 57  PRO B C   1 
ATOM   443  O O   . PRO A 1 51  ? -35.994 -7.235  -26.250 1.00 11.32 ? 57  PRO B O   1 
ATOM   444  C CB  . PRO A 1 51  ? -38.645 -6.431  -25.984 1.00 13.29 ? 57  PRO B CB  1 
ATOM   445  C CG  . PRO A 1 51  ? -39.756 -7.095  -25.199 1.00 14.35 ? 57  PRO B CG  1 
ATOM   446  C CD  . PRO A 1 51  ? -39.754 -8.543  -25.553 1.00 12.27 ? 57  PRO B CD  1 
ATOM   447  N N   . MET A 1 52  ? -36.366 -8.637  -27.995 1.00 10.68 ? 58  MET B N   1 
ATOM   448  C CA  . MET A 1 52  ? -35.013 -9.232  -28.083 1.00 10.19 ? 58  MET B CA  1 
ATOM   449  C C   . MET A 1 52  ? -34.201 -8.650  -29.221 1.00 10.45 ? 58  MET B C   1 
ATOM   450  O O   . MET A 1 52  ? -34.730 -8.150  -30.255 1.00 11.20 ? 58  MET B O   1 
ATOM   451  C CB  . MET A 1 52  ? -35.116 -10.742 -28.235 1.00 10.87 ? 58  MET B CB  1 
ATOM   452  C CG  . MET A 1 52  ? -35.681 -11.433 -27.044 1.00 10.59 ? 58  MET B CG  1 
ATOM   453  S SD  . MET A 1 52  ? -36.163 -13.137 -27.466 1.00 12.31 ? 58  MET B SD  1 
ATOM   454  C CE  . MET A 1 52  ? -36.771 -13.760 -25.913 1.00 13.39 ? 58  MET B CE  1 
ATOM   455  N N   . VAL A 1 53  ? -32.879 -8.698  -29.045 1.00 9.88  ? 59  VAL B N   1 
ATOM   456  C CA  . VAL A 1 53  ? -31.904 -8.247  -30.083 1.00 10.72 ? 59  VAL B CA  1 
ATOM   457  C C   . VAL A 1 53  ? -30.602 -9.009  -29.863 1.00 11.31 ? 59  VAL B C   1 
ATOM   458  O O   . VAL A 1 53  ? -30.320 -9.422  -28.702 1.00 11.23 ? 59  VAL B O   1 
ATOM   459  C CB  . VAL A 1 53  ? -31.699 -6.714  -30.036 1.00 11.06 ? 59  VAL B CB  1 
ATOM   460  C CG1 . VAL A 1 53  ? -31.172 -6.212  -28.704 1.00 11.29 ? 59  VAL B CG1 1 
ATOM   461  C CG2 . VAL A 1 53  ? -30.819 -6.225  -31.174 1.00 11.43 ? 59  VAL B CG2 1 
ATOM   462  N N   . LEU A 1 54  ? -29.827 -9.205  -30.913 1.00 11.42 ? 60  LEU B N   1 
ATOM   463  C CA  . LEU A 1 54  ? -28.510 -9.868  -30.852 1.00 11.28 ? 60  LEU B CA  1 
ATOM   464  C C   . LEU A 1 54  ? -27.386 -8.870  -30.990 1.00 11.73 ? 60  LEU B C   1 
ATOM   465  O O   . LEU A 1 54  ? -27.505 -7.793  -31.674 1.00 12.56 ? 60  LEU B O   1 
ATOM   466  C CB  . LEU A 1 54  ? -28.354 -10.911 -31.953 1.00 11.88 ? 60  LEU B CB  1 
ATOM   467  C CG  . LEU A 1 54  ? -29.408 -11.991 -31.970 1.00 12.40 ? 60  LEU B CG  1 
ATOM   468  C CD1 . LEU A 1 54  ? -29.119 -13.103 -32.976 1.00 13.97 ? 60  LEU B CD1 1 
ATOM   469  C CD2 . LEU A 1 54  ? -29.617 -12.605 -30.588 1.00 12.52 ? 60  LEU B CD2 1 
ATOM   470  N N   . GLY A 1 55  ? -26.245 -9.203  -30.396 1.00 11.55 ? 61  GLY B N   1 
ATOM   471  C CA  . GLY A 1 55  ? -24.985 -8.525  -30.769 1.00 12.22 ? 61  GLY B CA  1 
ATOM   472  C C   . GLY A 1 55  ? -24.574 -8.840  -32.206 1.00 12.28 ? 61  GLY B C   1 
ATOM   473  O O   . GLY A 1 55  ? -24.898 -9.910  -32.692 1.00 12.71 ? 61  GLY B O   1 
ATOM   474  N N   . ALA A 1 56  ? -23.829 -7.940  -32.826 1.00 13.46 ? 62  ALA B N   1 
ATOM   475  C CA  . ALA A 1 56  ? -23.310 -8.138  -34.193 1.00 15.23 ? 62  ALA B CA  1 
ATOM   476  C C   . ALA A 1 56  ? -22.199 -9.183  -34.225 1.00 15.73 ? 62  ALA B C   1 
ATOM   477  O O   . ALA A 1 56  ? -22.046 -9.872  -35.248 1.00 18.34 ? 62  ALA B O   1 
ATOM   478  C CB  . ALA A 1 56  ? -22.816 -6.818  -34.679 1.00 16.12 ? 62  ALA B CB  1 
ATOM   479  N N   . GLN A 1 57  ? -21.460 -9.289  -33.145 1.00 14.63 ? 63  GLN B N   1 
ATOM   480  C CA  . GLN A 1 57  ? -20.255 -10.155 -33.123 1.00 14.74 ? 63  GLN B CA  1 
ATOM   481  C C   . GLN A 1 57  ? -20.680 -11.632 -33.113 1.00 16.39 ? 63  GLN B C   1 
ATOM   482  O O   . GLN A 1 57  ? -21.683 -12.012 -32.468 1.00 15.81 ? 63  GLN B O   1 
ATOM   483  C CB  . GLN A 1 57  ? -19.394 -9.806  -31.902 1.00 16.60 ? 63  GLN B CB  1 
ATOM   484  C CG  . GLN A 1 57  ? -18.701 -8.453  -31.985 1.00 18.74 ? 63  GLN B CG  1 
ATOM   485  C CD  . GLN A 1 57  ? -19.673 -7.289  -31.879 1.00 18.79 ? 63  GLN B CD  1 
ATOM   486  O OE1 . GLN A 1 57  ? -20.627 -7.347  -31.113 1.00 17.42 ? 63  GLN B OE1 1 
ATOM   487  N NE2 . GLN A 1 57  ? -19.437 -6.199  -32.580 1.00 20.93 ? 63  GLN B NE2 1 
ATOM   488  N N   . ARG A 1 58  ? -19.952 -12.491 -33.827 1.00 16.85 ? 64  ARG B N   1 
ATOM   489  C CA  . ARG A 1 58  ? -20.102 -13.951 -33.806 1.00 16.74 ? 64  ARG B CA  1 
ATOM   490  C C   . ARG A 1 58  ? -18.830 -14.564 -33.228 1.00 14.97 ? 64  ARG B C   1 
ATOM   491  O O   . ARG A 1 58  ? -17.722 -14.124 -33.601 1.00 18.31 ? 64  ARG B O   1 
ATOM   492  C CB  . ARG A 1 58  ? -20.242 -14.546 -35.218 1.00 21.03 ? 64  ARG B CB  1 
ATOM   493  C CG  . ARG A 1 58  ? -21.602 -14.378 -35.900 1.00 28.60 ? 64  ARG B CG  1 
ATOM   494  C CD  . ARG A 1 58  ? -22.104 -12.954 -35.811 1.00 30.96 ? 64  ARG B CD  1 
ATOM   495  N NE  . ARG A 1 58  ? -23.003 -12.280 -36.758 1.00 35.87 ? 64  ARG B NE  1 
ATOM   496  C CZ  . ARG A 1 58  ? -23.716 -12.819 -37.740 1.00 33.14 ? 64  ARG B CZ  1 
ATOM   497  N NH1 . ARG A 1 58  ? -24.483 -12.040 -38.487 1.00 39.04 ? 64  ARG B NH1 1 
ATOM   498  N NH2 . ARG A 1 58  ? -23.675 -14.107 -37.991 1.00 35.03 ? 64  ARG B NH2 1 
ATOM   499  N N   . PHE A 1 59  ? -18.969 -15.518 -32.343 1.00 14.39 ? 65  PHE B N   1 
ATOM   500  C CA  . PHE A 1 59  ? -17.802 -16.158 -31.690 1.00 14.65 ? 65  PHE B CA  1 
ATOM   501  C C   . PHE A 1 59  ? -17.852 -17.652 -31.964 1.00 14.13 ? 65  PHE B C   1 
ATOM   502  O O   . PHE A 1 59  ? -18.875 -18.302 -31.732 1.00 13.57 ? 65  PHE B O   1 
ATOM   503  C CB  . PHE A 1 59  ? -17.874 -15.905 -30.170 1.00 16.05 ? 65  PHE B CB  1 
ATOM   504  C CG  . PHE A 1 59  ? -17.859 -14.431 -29.805 1.00 17.45 ? 65  PHE B CG  1 
ATOM   505  C CD1 . PHE A 1 59  ? -16.834 -13.615 -30.270 1.00 20.14 ? 65  PHE B CD1 1 
ATOM   506  C CD2 . PHE A 1 59  ? -18.862 -13.852 -29.073 1.00 25.43 ? 65  PHE B CD2 1 
ATOM   507  C CE1 . PHE A 1 59  ? -16.780 -12.256 -29.984 1.00 23.30 ? 65  PHE B CE1 1 
ATOM   508  C CE2 . PHE A 1 59  ? -18.790 -12.495 -28.750 1.00 20.09 ? 65  PHE B CE2 1 
ATOM   509  C CZ  . PHE A 1 59  ? -17.796 -11.709 -29.257 1.00 21.40 ? 65  PHE B CZ  1 
ATOM   510  N N   A SER A 1 60  ? -16.733 -18.228 -32.431 0.25 14.47 ? 66  SER B N   1 
ATOM   511  N N   B SER A 1 60  ? -16.738 -18.216 -32.454 0.25 14.33 ? 66  SER B N   1 
ATOM   512  C CA  A SER A 1 60  ? -16.630 -19.683 -32.724 0.25 14.91 ? 66  SER B CA  1 
ATOM   513  C CA  B SER A 1 60  ? -16.604 -19.667 -32.749 0.25 14.74 ? 66  SER B CA  1 
ATOM   514  C C   A SER A 1 60  ? -15.408 -20.314 -32.029 0.25 14.38 ? 66  SER B C   1 
ATOM   515  C C   B SER A 1 60  ? -15.336 -20.242 -32.118 0.25 14.72 ? 66  SER B C   1 
ATOM   516  O O   A SER A 1 60  ? -15.277 -21.553 -32.086 0.25 14.07 ? 66  SER B O   1 
ATOM   517  O O   B SER A 1 60  ? -14.949 -21.343 -32.509 0.25 14.25 ? 66  SER B O   1 
ATOM   518  C CB  A SER A 1 60  ? -16.657 -19.929 -34.219 0.25 15.35 ? 66  SER B CB  1 
ATOM   519  C CB  B SER A 1 60  ? -16.570 -19.913 -34.218 0.25 14.60 ? 66  SER B CB  1 
ATOM   520  O OG  A SER A 1 60  ? -18.000 -19.797 -34.719 0.25 16.42 ? 66  SER B OG  1 
ATOM   521  O OG  B SER A 1 60  ? -15.517 -19.176 -34.782 0.25 14.88 ? 66  SER B OG  1 
ATOM   522  N N   A SER A 1 61  ? -14.602 -19.512 -31.327 0.25 13.95 ? 67  SER B N   1 
ATOM   523  N N   B SER A 1 61  ? -14.703 -19.512 -31.204 0.25 15.23 ? 67  SER B N   1 
ATOM   524  C CA  A SER A 1 61  ? -13.422 -19.981 -30.560 0.25 14.76 ? 67  SER B CA  1 
ATOM   525  C CA  B SER A 1 61  ? -13.447 -19.950 -30.560 0.25 16.57 ? 67  SER B CA  1 
ATOM   526  C C   A SER A 1 61  ? -13.124 -19.006 -29.425 0.25 15.53 ? 67  SER B C   1 
ATOM   527  C C   B SER A 1 61  ? -13.027 -18.942 -29.497 0.25 16.39 ? 67  SER B C   1 
ATOM   528  O O   A SER A 1 61  ? -13.738 -17.941 -29.399 0.25 15.42 ? 67  SER B O   1 
ATOM   529  O O   B SER A 1 61  ? -13.419 -17.768 -29.630 0.25 15.20 ? 67  SER B O   1 
ATOM   530  C CB  A SER A 1 61  ? -12.209 -20.103 -31.466 0.25 14.71 ? 67  SER B CB  1 
ATOM   531  C CB  B SER A 1 61  ? -12.365 -20.090 -31.603 0.25 17.99 ? 67  SER B CB  1 
ATOM   532  O OG  A SER A 1 61  ? -11.795 -18.830 -31.925 0.25 14.57 ? 67  SER B OG  1 
ATOM   533  O OG  B SER A 1 61  ? -11.169 -20.533 -30.995 0.25 21.01 ? 67  SER B OG  1 
ATOM   534  N N   . GLY A 1 62  ? -12.190 -19.369 -28.546 1.00 16.88 ? 68  GLY B N   1 
ATOM   535  C CA  . GLY A 1 62  ? -11.581 -18.409 -27.614 1.00 18.01 ? 68  GLY B CA  1 
ATOM   536  C C   . GLY A 1 62  ? -12.422 -18.103 -26.385 1.00 14.54 ? 68  GLY B C   1 
ATOM   537  O O   . GLY A 1 62  ? -13.445 -18.755 -26.137 1.00 16.21 ? 68  GLY B O   1 
ATOM   538  N N   . LYS A 1 63  ? -11.923 -17.109 -25.671 1.00 14.72 ? 69  LYS B N   1 
ATOM   539  C CA  . LYS A 1 63  ? -12.510 -16.617 -24.426 1.00 15.47 ? 69  LYS B CA  1 
ATOM   540  C C   . LYS A 1 63  ? -12.933 -15.175 -24.685 1.00 14.84 ? 69  LYS B C   1 
ATOM   541  O O   . LYS A 1 63  ? -12.159 -14.367 -25.217 1.00 16.56 ? 69  LYS B O   1 
ATOM   542  C CB  . LYS A 1 63  ? -11.494 -16.776 -23.301 1.00 17.08 ? 69  LYS B CB  1 
ATOM   543  C CG  . LYS A 1 63  ? -11.112 -18.209 -22.940 1.00 18.00 ? 69  LYS B CG  1 
ATOM   544  C CD  . LYS A 1 63  ? -9.951  -18.281 -21.918 1.00 21.49 ? 69  LYS B CD  1 
ATOM   545  C CE  . LYS A 1 63  ? -9.604  -19.683 -21.469 1.00 24.30 ? 69  LYS B CE  1 
ATOM   546  N NZ  . LYS A 1 63  ? -8.544  -19.641 -20.430 1.00 27.47 ? 69  LYS B NZ  1 
ATOM   547  N N   . MET A 1 64  ? -14.140 -14.846 -24.228 1.00 14.30 ? 70  MET B N   1 
ATOM   548  C CA  . MET A 1 64  ? -14.774 -13.526 -24.451 1.00 13.92 ? 70  MET B CA  1 
ATOM   549  C C   . MET A 1 64  ? -15.453 -13.069 -23.168 1.00 13.12 ? 70  MET B C   1 
ATOM   550  O O   . MET A 1 64  ? -16.015 -13.886 -22.448 1.00 14.08 ? 70  MET B O   1 
ATOM   551  C CB  . MET A 1 64  ? -15.882 -13.633 -25.492 1.00 14.48 ? 70  MET B CB  1 
ATOM   552  C CG  . MET A 1 64  ? -15.419 -13.762 -26.922 1.00 15.32 ? 70  MET B CG  1 
ATOM   553  S SD  . MET A 1 64  ? -14.694 -15.361 -27.445 1.00 17.51 ? 70  MET B SD  1 
ATOM   554  C CE  . MET A 1 64  ? -15.903 -16.579 -26.991 1.00 16.18 ? 70  MET B CE  1 
ATOM   555  N N   . TYR A 1 65  ? -15.403 -11.789 -22.878 1.00 13.58 ? 71  TYR B N   1 
ATOM   556  C CA  . TYR A 1 65  ? -16.010 -11.196 -21.661 1.00 13.50 ? 71  TYR B CA  1 
ATOM   557  C C   . TYR A 1 65  ? -16.615 -9.857  -22.029 1.00 14.55 ? 71  TYR B C   1 
ATOM   558  O O   . TYR A 1 65  ? -15.969 -9.037  -22.754 1.00 14.72 ? 71  TYR B O   1 
ATOM   559  C CB  . TYR A 1 65  ? -14.952 -11.011 -20.569 1.00 14.38 ? 71  TYR B CB  1 
ATOM   560  C CG  . TYR A 1 65  ? -15.467 -10.404 -19.293 1.00 14.48 ? 71  TYR B CG  1 
ATOM   561  C CD1 . TYR A 1 65  ? -16.202 -11.159 -18.385 1.00 14.37 ? 71  TYR B CD1 1 
ATOM   562  C CD2 . TYR A 1 65  ? -15.293 -9.046  -19.036 1.00 14.65 ? 71  TYR B CD2 1 
ATOM   563  C CE1 . TYR A 1 65  ? -16.720 -10.603 -17.224 1.00 15.07 ? 71  TYR B CE1 1 
ATOM   564  C CE2 . TYR A 1 65  ? -15.797 -8.478  -17.879 1.00 14.34 ? 71  TYR B CE2 1 
ATOM   565  C CZ  . TYR A 1 65  ? -16.497 -9.248  -16.978 1.00 14.36 ? 71  TYR B CZ  1 
ATOM   566  O OH  . TYR A 1 65  ? -16.990 -8.655  -15.865 1.00 16.89 ? 71  TYR B OH  1 
ATOM   567  N N   . TRP A 1 66  ? -17.825 -9.593  -21.554 1.00 12.27 ? 72  TRP B N   1 
ATOM   568  C CA  . TRP A 1 66  ? -18.403 -8.230  -21.663 1.00 12.43 ? 72  TRP B CA  1 
ATOM   569  C C   . TRP A 1 66  ? -19.312 -7.963  -20.455 1.00 12.81 ? 72  TRP B C   1 
ATOM   570  O O   . TRP A 1 66  ? -19.627 -8.903  -19.691 1.00 13.35 ? 72  TRP B O   1 
ATOM   571  C CB  . TRP A 1 66  ? -19.145 -8.037  -23.002 1.00 12.35 ? 72  TRP B CB  1 
ATOM   572  C CG  . TRP A 1 66  ? -20.318 -8.922  -23.260 1.00 11.91 ? 72  TRP B CG  1 
ATOM   573  C CD1 . TRP A 1 66  ? -21.650 -8.638  -23.046 1.00 11.68 ? 72  TRP B CD1 1 
ATOM   574  C CD2 . TRP A 1 66  ? -20.321 -10.244 -23.799 1.00 12.66 ? 72  TRP B CD2 1 
ATOM   575  N NE1 . TRP A 1 66  ? -22.448 -9.678  -23.464 1.00 12.45 ? 72  TRP B NE1 1 
ATOM   576  C CE2 . TRP A 1 66  ? -21.648 -10.697 -23.889 1.00 12.47 ? 72  TRP B CE2 1 
ATOM   577  C CE3 . TRP A 1 66  ? -19.294 -11.103 -24.218 1.00 14.52 ? 72  TRP B CE3 1 
ATOM   578  C CZ2 . TRP A 1 66  ? -21.987 -11.939 -24.393 1.00 13.60 ? 72  TRP B CZ2 1 
ATOM   579  C CZ3 . TRP A 1 66  ? -19.625 -12.339 -24.715 1.00 16.39 ? 72  TRP B CZ3 1 
ATOM   580  C CH2 . TRP A 1 66  ? -20.947 -12.766 -24.774 1.00 15.06 ? 72  TRP B CH2 1 
ATOM   581  N N   . GLU A 1 67  ? -19.714 -6.702  -20.263 1.00 12.30 ? 73  GLU B N   1 
ATOM   582  C CA  . GLU A 1 67  ? -20.552 -6.269  -19.121 1.00 12.11 ? 73  GLU B CA  1 
ATOM   583  C C   . GLU A 1 67  ? -21.758 -5.478  -19.615 1.00 11.96 ? 73  GLU B C   1 
ATOM   584  O O   . GLU A 1 67  ? -21.654 -4.773  -20.606 1.00 12.72 ? 73  GLU B O   1 
ATOM   585  C CB  . GLU A 1 67  ? -19.746 -5.408  -18.143 1.00 13.39 ? 73  GLU B CB  1 
ATOM   586  C CG  . GLU A 1 67  ? -18.664 -6.234  -17.461 1.00 15.66 ? 73  GLU B CG  1 
ATOM   587  C CD  . GLU A 1 67  ? -17.796 -5.485  -16.468 1.00 19.04 ? 73  GLU B CD  1 
ATOM   588  O OE1 . GLU A 1 67  ? -17.938 -4.219  -16.414 1.00 24.05 ? 73  GLU B OE1 1 
ATOM   589  O OE2 . GLU A 1 67  ? -16.967 -6.170  -15.729 1.00 17.86 ? 73  GLU B OE2 1 
ATOM   590  N N   . VAL A 1 68  ? -22.865 -5.681  -18.921 1.00 12.02 ? 74  VAL B N   1 
ATOM   591  C CA  . VAL A 1 68  ? -24.152 -5.051  -19.258 1.00 12.04 ? 74  VAL B CA  1 
ATOM   592  C C   . VAL A 1 68  ? -24.721 -4.371  -18.016 1.00 11.55 ? 74  VAL B C   1 
ATOM   593  O O   . VAL A 1 68  ? -24.826 -5.008  -16.955 1.00 12.69 ? 74  VAL B O   1 
ATOM   594  C CB  . VAL A 1 68  ? -25.156 -6.074  -19.821 1.00 11.96 ? 74  VAL B CB  1 
ATOM   595  C CG1 . VAL A 1 68  ? -26.414 -5.375  -20.282 1.00 13.14 ? 74  VAL B CG1 1 
ATOM   596  C CG2 . VAL A 1 68  ? -24.540 -6.930  -20.915 1.00 12.86 ? 74  VAL B CG2 1 
ATOM   597  N N   . ASP A 1 69  ? -25.160 -3.121  -18.181 1.00 12.19 ? 75  ASP B N   1 
ATOM   598  C CA  . ASP A 1 69  ? -25.821 -2.333  -17.123 1.00 13.43 ? 75  ASP B CA  1 
ATOM   599  C C   . ASP A 1 69  ? -27.304 -2.629  -17.162 1.00 12.02 ? 75  ASP B C   1 
ATOM   600  O O   . ASP A 1 69  ? -27.945 -2.495  -18.278 1.00 12.25 ? 75  ASP B O   1 
ATOM   601  C CB  . ASP A 1 69  ? -25.540 -0.839  -17.309 1.00 14.40 ? 75  ASP B CB  1 
ATOM   602  C CG  . ASP A 1 69  ? -25.920 -0.029  -16.070 1.00 17.10 ? 75  ASP B CG  1 
ATOM   603  O OD1 . ASP A 1 69  ? -27.074 -0.001  -15.736 1.00 16.68 ? 75  ASP B OD1 1 
ATOM   604  O OD2 . ASP A 1 69  ? -25.004 0.439   -15.358 1.00 22.54 ? 75  ASP B OD2 1 
ATOM   605  N N   . VAL A 1 70  ? -27.894 -3.021  -16.038 1.00 12.05 ? 76  VAL B N   1 
ATOM   606  C CA  . VAL A 1 70  ? -29.338 -3.350  -15.866 1.00 12.41 ? 76  VAL B CA  1 
ATOM   607  C C   . VAL A 1 70  ? -30.025 -2.441  -14.827 1.00 13.12 ? 76  VAL B C   1 
ATOM   608  O O   . VAL A 1 70  ? -31.085 -2.794  -14.299 1.00 13.41 ? 76  VAL B O   1 
ATOM   609  C CB  . VAL A 1 70  ? -29.477 -4.858  -15.510 1.00 12.16 ? 76  VAL B CB  1 
ATOM   610  C CG1 . VAL A 1 70  ? -28.920 -5.801  -16.626 1.00 11.84 ? 76  VAL B CG1 1 
ATOM   611  C CG2 . VAL A 1 70  ? -28.836 -5.251  -14.183 1.00 12.61 ? 76  VAL B CG2 1 
ATOM   612  N N   . THR A 1 71  ? -29.388 -1.329  -14.473 1.00 13.58 ? 77  THR B N   1 
ATOM   613  C CA  . THR A 1 71  ? -29.871 -0.420  -13.406 1.00 15.31 ? 77  THR B CA  1 
ATOM   614  C C   . THR A 1 71  ? -31.358 -0.113  -13.625 1.00 15.10 ? 77  THR B C   1 
ATOM   615  O O   . THR A 1 71  ? -31.775 0.249   -14.725 1.00 14.70 ? 77  THR B O   1 
ATOM   616  C CB  . THR A 1 71  ? -29.074 0.875   -13.416 1.00 16.12 ? 77  THR B CB  1 
ATOM   617  O OG1 . THR A 1 71  ? -27.692 0.619   -13.143 1.00 18.13 ? 77  THR B OG1 1 
ATOM   618  C CG2 . THR A 1 71  ? -29.609 1.813   -12.355 1.00 19.00 ? 77  THR B CG2 1 
ATOM   619  N N   . GLN A 1 72  ? -32.089 -0.235  -12.523 1.00 18.07 ? 78  GLN B N   1 
ATOM   620  C CA  . GLN A 1 72  ? -33.522 0.062   -12.295 1.00 21.08 ? 78  GLN B CA  1 
ATOM   621  C C   . GLN A 1 72  ? -34.448 -0.703  -13.233 1.00 20.89 ? 78  GLN B C   1 
ATOM   622  O O   . GLN A 1 72  ? -35.651 -0.377  -13.292 1.00 23.47 ? 78  GLN B O   1 
ATOM   623  C CB  . GLN A 1 72  ? -33.758 1.571   -12.285 1.00 29.48 ? 78  GLN B CB  1 
ATOM   624  C CG  . GLN A 1 72  ? -33.553 2.261   -13.622 1.00 33.53 ? 78  GLN B CG  1 
ATOM   625  C CD  . GLN A 1 72  ? -34.674 3.218   -13.963 1.00 37.64 ? 78  GLN B CD  1 
ATOM   626  O OE1 . GLN A 1 72  ? -34.457 4.255   -14.587 1.00 37.31 ? 78  GLN B OE1 1 
ATOM   627  N NE2 . GLN A 1 72  ? -35.895 2.832   -13.618 1.00 40.80 ? 78  GLN B NE2 1 
ATOM   628  N N   . LYS A 1 73  ? -34.004 -1.760  -13.902 1.00 14.31 ? 79  LYS B N   1 
ATOM   629  C CA  . LYS A 1 73  ? -34.975 -2.619  -14.605 1.00 12.73 ? 79  LYS B CA  1 
ATOM   630  C C   . LYS A 1 73  ? -35.671 -3.648  -13.711 1.00 12.11 ? 79  LYS B C   1 
ATOM   631  O O   . LYS A 1 73  ? -35.016 -4.198  -12.763 1.00 14.18 ? 79  LYS B O   1 
ATOM   632  C CB  . LYS A 1 73  ? -34.241 -3.308  -15.756 1.00 12.86 ? 79  LYS B CB  1 
ATOM   633  C CG  . LYS A 1 73  ? -33.804 -2.328  -16.868 1.00 12.65 ? 79  LYS B CG  1 
ATOM   634  C CD  . LYS A 1 73  ? -33.317 -2.948  -18.162 1.00 14.17 ? 79  LYS B CD  1 
ATOM   635  C CE  . LYS A 1 73  ? -34.382 -3.704  -18.919 1.00 13.32 ? 79  LYS B CE  1 
ATOM   636  N NZ  . LYS A 1 73  ? -35.582 -2.877  -19.248 1.00 11.94 ? 79  LYS B NZ  1 
ATOM   637  N N   . GLU A 1 74  ? -36.913 -3.958  -14.026 1.00 11.42 ? 80  GLU B N   1 
ATOM   638  C CA  . GLU A 1 74  ? -37.719 -4.976  -13.323 1.00 12.04 ? 80  GLU B CA  1 
ATOM   639  C C   . GLU A 1 74  ? -37.620 -6.340  -14.002 1.00 11.83 ? 80  GLU B C   1 
ATOM   640  O O   . GLU A 1 74  ? -37.999 -7.343  -13.431 1.00 12.57 ? 80  GLU B O   1 
ATOM   641  C CB  . GLU A 1 74  ? -39.208 -4.582  -13.307 1.00 13.22 ? 80  GLU B CB  1 
ATOM   642  C CG  . GLU A 1 74  ? -39.493 -3.307  -12.553 1.00 15.08 ? 80  GLU B CG  1 
ATOM   643  C CD  . GLU A 1 74  ? -40.979 -2.918  -12.655 1.00 14.80 ? 80  GLU B CD  1 
ATOM   644  O OE1 . GLU A 1 74  ? -41.407 -2.100  -11.833 1.00 18.12 ? 80  GLU B OE1 1 
ATOM   645  O OE2 . GLU A 1 74  ? -41.717 -3.453  -13.537 1.00 17.04 ? 80  GLU B OE2 1 
ATOM   646  N N   . ALA A 1 75  ? -37.263 -6.388  -15.286 1.00 11.54 ? 81  ALA B N   1 
ATOM   647  C CA  . ALA A 1 75  ? -37.296 -7.640  -16.059 1.00 11.08 ? 81  ALA B CA  1 
ATOM   648  C C   . ALA A 1 75  ? -36.312 -7.518  -17.216 1.00 12.11 ? 81  ALA B C   1 
ATOM   649  O O   . ALA A 1 75  ? -36.248 -6.455  -17.894 1.00 11.81 ? 81  ALA B O   1 
ATOM   650  C CB  . ALA A 1 75  ? -38.673 -7.962  -16.590 1.00 12.30 ? 81  ALA B CB  1 
ATOM   651  N N   . TRP A 1 76  ? -35.586 -8.603  -17.501 1.00 10.38 ? 82  TRP B N   1 
ATOM   652  C CA  . TRP A 1 76  ? -34.605 -8.660  -18.618 1.00 10.73 ? 82  TRP B CA  1 
ATOM   653  C C   . TRP A 1 76  ? -34.109 -10.090 -18.719 1.00 11.07 ? 82  TRP B C   1 
ATOM   654  O O   . TRP A 1 76  ? -34.199 -10.848 -17.736 1.00 11.14 ? 82  TRP B O   1 
ATOM   655  C CB  . TRP A 1 76  ? -33.426 -7.694  -18.403 1.00 11.50 ? 82  TRP B CB  1 
ATOM   656  C CG  . TRP A 1 76  ? -32.755 -7.722  -17.074 1.00 11.19 ? 82  TRP B CG  1 
ATOM   657  C CD1 . TRP A 1 76  ? -32.983 -6.871  -16.047 1.00 12.47 ? 82  TRP B CD1 1 
ATOM   658  C CD2 . TRP A 1 76  ? -31.817 -8.686  -16.541 1.00 11.76 ? 82  TRP B CD2 1 
ATOM   659  N NE1 . TRP A 1 76  ? -32.210 -7.169  -14.964 1.00 11.79 ? 82  TRP B NE1 1 
ATOM   660  C CE2 . TRP A 1 76  ? -31.508 -8.321  -15.231 1.00 11.99 ? 82  TRP B CE2 1 
ATOM   661  C CE3 . TRP A 1 76  ? -31.180 -9.830  -17.076 1.00 12.85 ? 82  TRP B CE3 1 
ATOM   662  C CZ2 . TRP A 1 76  ? -30.582 -8.979  -14.431 1.00 12.10 ? 82  TRP B CZ2 1 
ATOM   663  C CZ3 . TRP A 1 76  ? -30.306 -10.537 -16.272 1.00 12.12 ? 82  TRP B CZ3 1 
ATOM   664  C CH2 . TRP A 1 76  ? -30.013 -10.100 -14.972 1.00 12.88 ? 82  TRP B CH2 1 
ATOM   665  N N   . ASP A 1 77  ? -33.575 -10.435 -19.881 1.00 10.84 ? 83  ASP B N   1 
ATOM   666  C CA  . ASP A 1 77  ? -32.820 -11.704 -20.099 1.00 11.02 ? 83  ASP B CA  1 
ATOM   667  C C   . ASP A 1 77  ? -31.447 -11.333 -20.680 1.00 10.01 ? 83  ASP B C   1 
ATOM   668  O O   . ASP A 1 77  ? -31.402 -10.414 -21.525 1.00 10.71 ? 83  ASP B O   1 
ATOM   669  C CB  . ASP A 1 77  ? -33.475 -12.665 -21.081 1.00 11.93 ? 83  ASP B CB  1 
ATOM   670  C CG  . ASP A 1 77  ? -34.947 -12.913 -20.939 1.00 14.02 ? 83  ASP B CG  1 
ATOM   671  O OD1 . ASP A 1 77  ? -35.397 -12.935 -19.814 1.00 17.20 ? 83  ASP B OD1 1 
ATOM   672  O OD2 . ASP A 1 77  ? -35.629 -13.085 -21.982 1.00 15.82 ? 83  ASP B OD2 1 
ATOM   673  N N   . LEU A 1 78  ? -30.367 -12.014 -20.305 1.00 9.71  ? 84  LEU B N   1 
ATOM   674  C CA  . LEU A 1 78  ? -29.013 -11.757 -20.833 1.00 9.84  ? 84  LEU B CA  1 
ATOM   675  C C   . LEU A 1 78  ? -28.310 -13.093 -21.014 1.00 10.20 ? 84  LEU B C   1 
ATOM   676  O O   . LEU A 1 78  ? -28.435 -13.999 -20.182 1.00 10.07 ? 84  LEU B O   1 
ATOM   677  C CB  . LEU A 1 78  ? -28.194 -10.907 -19.870 1.00 10.57 ? 84  LEU B CB  1 
ATOM   678  C CG  . LEU A 1 78  ? -28.549 -9.433  -19.746 1.00 12.00 ? 84  LEU B CG  1 
ATOM   679  C CD1 . LEU A 1 78  ? -27.722 -8.809  -18.618 1.00 12.56 ? 84  LEU B CD1 1 
ATOM   680  C CD2 . LEU A 1 78  ? -28.345 -8.706  -21.054 1.00 12.23 ? 84  LEU B CD2 1 
ATOM   681  N N   . GLY A 1 79  ? -27.470 -13.142 -22.040 1.00 9.04  ? 85  GLY B N   1 
ATOM   682  C CA  . GLY A 1 79  ? -26.502 -14.247 -22.171 1.00 10.48 ? 85  GLY B CA  1 
ATOM   683  C C   . GLY A 1 79  ? -25.966 -14.329 -23.580 1.00 9.20  ? 85  GLY B C   1 
ATOM   684  O O   . GLY A 1 79  ? -25.594 -13.325 -24.174 1.00 9.97  ? 85  GLY B O   1 
ATOM   685  N N   A VAL A 1 80  ? -25.893 -15.563 -24.085 0.26 9.36  ? 86  VAL B N   1 
ATOM   686  N N   B VAL A 1 80  ? -25.988 -15.533 -24.126 0.26 10.12 ? 86  VAL B N   1 
ATOM   687  C CA  A VAL A 1 80  ? -25.498 -15.881 -25.489 0.26 9.36  ? 86  VAL B CA  1 
ATOM   688  C CA  B VAL A 1 80  ? -25.429 -15.817 -25.471 0.26 10.63 ? 86  VAL B CA  1 
ATOM   689  C C   A VAL A 1 80  ? -26.506 -16.844 -26.108 0.26 9.67  ? 86  VAL B C   1 
ATOM   690  C C   B VAL A 1 80  ? -26.319 -16.904 -26.101 0.26 10.49 ? 86  VAL B C   1 
ATOM   691  O O   A VAL A 1 80  ? -27.252 -17.547 -25.414 0.26 10.26 ? 86  VAL B O   1 
ATOM   692  O O   B VAL A 1 80  ? -26.894 -17.696 -25.363 0.26 11.22 ? 86  VAL B O   1 
ATOM   693  C CB  A VAL A 1 80  ? -24.094 -16.502 -25.618 0.26 9.47  ? 86  VAL B CB  1 
ATOM   694  C CB  B VAL A 1 80  ? -23.935 -16.183 -25.328 0.26 12.06 ? 86  VAL B CB  1 
ATOM   695  C CG1 A VAL A 1 80  ? -23.045 -15.484 -25.240 0.26 9.02  ? 86  VAL B CG1 1 
ATOM   696  C CG1 B VAL A 1 80  ? -23.740 -17.522 -24.631 0.26 11.66 ? 86  VAL B CG1 1 
ATOM   697  C CG2 A VAL A 1 80  ? -23.943 -17.766 -24.780 0.26 9.23  ? 86  VAL B CG2 1 
ATOM   698  C CG2 B VAL A 1 80  ? -23.192 -16.130 -26.644 0.26 13.19 ? 86  VAL B CG2 1 
ATOM   699  N N   . CYS A 1 81  ? -26.479 -16.907 -27.425 1.00 9.96  ? 87  CYS B N   1 
ATOM   700  C CA  . CYS A 1 81  ? -27.296 -17.888 -28.130 1.00 11.03 ? 87  CYS B CA  1 
ATOM   701  C C   . CYS A 1 81  ? -26.617 -18.300 -29.419 1.00 11.08 ? 87  CYS B C   1 
ATOM   702  O O   . CYS A 1 81  ? -25.718 -17.573 -29.941 1.00 10.96 ? 87  CYS B O   1 
ATOM   703  C CB  . CYS A 1 81  ? -28.693 -17.361 -28.433 1.00 12.17 ? 87  CYS B CB  1 
ATOM   704  S SG  . CYS A 1 81  ? -28.776 -15.940 -29.534 1.00 12.78 ? 87  CYS B SG  1 
ATOM   705  N N   A ARG A 1 82  ? -27.060 -19.423 -29.953 0.26 11.50 ? 88  ARG B N   1 
ATOM   706  N N   B ARG A 1 82  ? -27.042 -19.438 -29.945 0.26 10.43 ? 88  ARG B N   1 
ATOM   707  C CA  A ARG A 1 82  ? -26.629 -19.835 -31.309 0.26 12.62 ? 88  ARG B CA  1 
ATOM   708  C CA  B ARG A 1 82  ? -26.586 -19.904 -31.281 0.26 10.76 ? 88  ARG B CA  1 
ATOM   709  C C   A ARG A 1 82  ? -27.049 -18.780 -32.327 0.26 12.04 ? 88  ARG B C   1 
ATOM   710  C C   B ARG A 1 82  ? -27.092 -18.923 -32.359 0.26 11.17 ? 88  ARG B C   1 
ATOM   711  O O   A ARG A 1 82  ? -28.098 -18.160 -32.195 0.26 11.72 ? 88  ARG B O   1 
ATOM   712  O O   B ARG A 1 82  ? -28.265 -18.483 -32.279 0.26 10.88 ? 88  ARG B O   1 
ATOM   713  C CB  A ARG A 1 82  ? -27.269 -21.159 -31.703 0.26 14.40 ? 88  ARG B CB  1 
ATOM   714  C CB  B ARG A 1 82  ? -27.093 -21.332 -31.505 0.26 10.92 ? 88  ARG B CB  1 
ATOM   715  C CG  A ARG A 1 82  ? -26.783 -22.289 -30.824 0.26 15.97 ? 88  ARG B CG  1 
ATOM   716  C CG  B ARG A 1 82  ? -26.411 -22.047 -32.661 0.26 10.60 ? 88  ARG B CG  1 
ATOM   717  C CD  A ARG A 1 82  ? -27.236 -23.618 -31.366 0.26 17.97 ? 88  ARG B CD  1 
ATOM   718  C CD  B ARG A 1 82  ? -26.983 -23.416 -32.934 0.26 10.48 ? 88  ARG B CD  1 
ATOM   719  N NE  A ARG A 1 82  ? -26.961 -24.667 -30.397 0.26 17.78 ? 88  ARG B NE  1 
ATOM   720  N NE  B ARG A 1 82  ? -26.862 -24.254 -31.761 0.26 10.37 ? 88  ARG B NE  1 
ATOM   721  C CZ  A ARG A 1 82  ? -27.826 -25.589 -30.014 0.26 17.55 ? 88  ARG B CZ  1 
ATOM   722  C CZ  B ARG A 1 82  ? -27.879 -24.820 -31.094 0.26 10.36 ? 88  ARG B CZ  1 
ATOM   723  N NH1 A ARG A 1 82  ? -29.048 -25.619 -30.519 0.26 17.26 ? 88  ARG B NH1 1 
ATOM   724  N NH1 B ARG A 1 82  ? -29.110 -24.748 -31.535 0.26 11.37 ? 88  ARG B NH1 1 
ATOM   725  N NH2 A ARG A 1 82  ? -27.441 -26.504 -29.146 0.26 19.24 ? 88  ARG B NH2 1 
ATOM   726  N NH2 B ARG A 1 82  ? -27.637 -25.502 -29.984 0.26 10.06 ? 88  ARG B NH2 1 
ATOM   727  N N   . ASP A 1 83  ? -26.272 -18.649 -33.383 1.00 11.98 ? 89  ASP B N   1 
ATOM   728  C CA  . ASP A 1 83  ? -26.667 -17.738 -34.476 1.00 12.87 ? 89  ASP B CA  1 
ATOM   729  C C   . ASP A 1 83  ? -27.965 -18.232 -35.096 1.00 14.73 ? 89  ASP B C   1 
ATOM   730  O O   . ASP A 1 83  ? -28.683 -17.387 -35.655 1.00 17.46 ? 89  ASP B O   1 
ATOM   731  C CB  . ASP A 1 83  ? -25.525 -17.672 -35.494 1.00 14.77 ? 89  ASP B CB  1 
ATOM   732  C CG  . ASP A 1 83  ? -25.152 -18.931 -36.226 1.00 17.40 ? 89  ASP B CG  1 
ATOM   733  O OD1 . ASP A 1 83  ? -25.621 -20.024 -35.844 1.00 20.58 ? 89  ASP B OD1 1 
ATOM   734  O OD2 . ASP A 1 83  ? -24.345 -18.783 -37.207 1.00 22.08 ? 89  ASP B OD2 1 
ATOM   735  N N   . SER A 1 84  ? -28.280 -19.525 -35.066 1.00 13.18 ? 90  SER B N   1 
ATOM   736  C CA  . SER A 1 84  ? -29.453 -20.066 -35.789 1.00 14.89 ? 90  SER B CA  1 
ATOM   737  C C   . SER A 1 84  ? -30.706 -20.242 -34.912 1.00 13.56 ? 90  SER B C   1 
ATOM   738  O O   . SER A 1 84  ? -31.605 -20.966 -35.289 1.00 14.95 ? 90  SER B O   1 
ATOM   739  C CB  . SER A 1 84  ? -29.051 -21.360 -36.424 1.00 16.71 ? 90  SER B CB  1 
ATOM   740  O OG  . SER A 1 84  ? -28.577 -22.250 -35.477 1.00 16.83 ? 90  SER B OG  1 
ATOM   741  N N   . VAL A 1 85  ? -30.770 -19.604 -33.741 1.00 12.52 ? 91  VAL B N   1 
ATOM   742  C CA  . VAL A 1 85  ? -31.999 -19.683 -32.921 1.00 12.64 ? 91  VAL B CA  1 
ATOM   743  C C   . VAL A 1 85  ? -33.213 -19.214 -33.723 1.00 12.77 ? 91  VAL B C   1 
ATOM   744  O O   . VAL A 1 85  ? -33.108 -18.261 -34.538 1.00 13.64 ? 91  VAL B O   1 
ATOM   745  C CB  . VAL A 1 85  ? -31.884 -18.934 -31.573 1.00 12.21 ? 91  VAL B CB  1 
ATOM   746  C CG1 . VAL A 1 85  ? -30.860 -19.589 -30.670 1.00 11.93 ? 91  VAL B CG1 1 
ATOM   747  C CG2 . VAL A 1 85  ? -31.664 -17.450 -31.710 1.00 12.72 ? 91  VAL B CG2 1 
ATOM   748  N N   . GLN A 1 86  ? -34.333 -19.817 -33.382 1.00 14.45 ? 92  GLN B N   1 
ATOM   749  C CA  . GLN A 1 86  ? -35.680 -19.394 -33.876 1.00 15.50 ? 92  GLN B CA  1 
ATOM   750  C C   . GLN A 1 86  ? -35.893 -17.904 -33.582 1.00 15.05 ? 92  GLN B C   1 
ATOM   751  O O   . GLN A 1 86  ? -35.601 -17.473 -32.482 1.00 15.22 ? 92  GLN B O   1 
ATOM   752  C CB  . GLN A 1 86  ? -36.688 -20.253 -33.114 1.00 18.06 ? 92  GLN B CB  1 
ATOM   753  C CG  . GLN A 1 86  ? -38.163 -19.960 -33.376 1.00 21.46 ? 92  GLN B CG  1 
ATOM   754  C CD  . GLN A 1 86  ? -39.074 -20.824 -32.518 1.00 23.33 ? 92  GLN B CD  1 
ATOM   755  O OE1 . GLN A 1 86  ? -38.665 -21.819 -31.890 1.00 25.95 ? 92  GLN B OE1 1 
ATOM   756  N NE2 . GLN A 1 86  ? -40.352 -20.453 -32.439 1.00 25.21 ? 92  GLN B NE2 1 
ATOM   757  N N   . ARG A 1 87  ? -36.475 -17.164 -34.514 1.00 14.02 ? 93  ARG B N   1 
ATOM   758  C CA  . ARG A 1 87  ? -36.749 -15.706 -34.380 1.00 13.42 ? 93  ARG B CA  1 
ATOM   759  C C   . ARG A 1 87  ? -38.262 -15.474 -34.253 1.00 14.84 ? 93  ARG B C   1 
ATOM   760  O O   . ARG A 1 87  ? -38.627 -14.475 -33.664 1.00 14.82 ? 93  ARG B O   1 
ATOM   761  C CB  . ARG A 1 87  ? -36.200 -14.891 -35.542 1.00 14.55 ? 93  ARG B CB  1 
ATOM   762  C CG  . ARG A 1 87  ? -34.736 -15.115 -35.881 1.00 14.00 ? 93  ARG B CG  1 
ATOM   763  C CD  . ARG A 1 87  ? -33.828 -14.885 -34.668 1.00 15.04 ? 93  ARG B CD  1 
ATOM   764  N NE  . ARG A 1 87  ? -32.440 -15.323 -34.984 1.00 16.23 ? 93  ARG B NE  1 
ATOM   765  C CZ  . ARG A 1 87  ? -31.523 -14.608 -35.607 1.00 16.10 ? 93  ARG B CZ  1 
ATOM   766  N NH1 . ARG A 1 87  ? -31.778 -13.386 -36.003 1.00 16.76 ? 93  ARG B NH1 1 
ATOM   767  N NH2 . ARG A 1 87  ? -30.349 -15.127 -35.892 1.00 17.75 ? 93  ARG B NH2 1 
ATOM   768  N N   . LYS A 1 88  ? -39.105 -16.322 -34.845 1.00 14.61 ? 94  LYS B N   1 
ATOM   769  C CA  . LYS A 1 88  ? -40.559 -16.053 -35.008 1.00 15.22 ? 94  LYS B CA  1 
ATOM   770  C C   . LYS A 1 88  ? -41.353 -16.959 -34.092 1.00 16.88 ? 94  LYS B C   1 
ATOM   771  O O   . LYS A 1 88  ? -40.991 -18.154 -33.955 1.00 18.67 ? 94  LYS B O   1 
ATOM   772  C CB  . LYS A 1 88  ? -40.958 -16.235 -36.483 1.00 15.67 ? 94  LYS B CB  1 
ATOM   773  C CG  . LYS A 1 88  ? -40.134 -15.485 -37.495 1.00 16.76 ? 94  LYS B CG  1 
ATOM   774  C CD  . LYS A 1 88  ? -40.091 -13.977 -37.247 1.00 18.08 ? 94  LYS B CD  1 
ATOM   775  C CE  . LYS A 1 88  ? -39.303 -13.309 -38.333 1.00 17.83 ? 94  LYS B CE  1 
ATOM   776  N NZ  . LYS A 1 88  ? -39.212 -11.838 -38.151 1.00 18.19 ? 94  LYS B NZ  1 
ATOM   777  N N   . GLY A 1 89  ? -42.421 -16.447 -33.516 1.00 16.72 ? 95  GLY B N   1 
ATOM   778  C CA  . GLY A 1 89  ? -43.322 -17.223 -32.666 1.00 17.07 ? 95  GLY B CA  1 
ATOM   779  C C   . GLY A 1 89  ? -42.834 -17.390 -31.249 1.00 18.45 ? 95  GLY B C   1 
ATOM   780  O O   . GLY A 1 89  ? -41.847 -16.662 -30.847 1.00 17.74 ? 95  GLY B O   1 
ATOM   781  N N   . GLN A 1 90  ? -43.489 -18.285 -30.518 1.00 18.52 ? 96  GLN B N   1 
ATOM   782  C CA  . GLN A 1 90  ? -43.196 -18.519 -29.093 1.00 20.81 ? 96  GLN B CA  1 
ATOM   783  C C   . GLN A 1 90  ? -42.131 -19.601 -28.933 1.00 19.40 ? 96  GLN B C   1 
ATOM   784  O O   . GLN A 1 90  ? -42.052 -20.541 -29.760 1.00 20.12 ? 96  GLN B O   1 
ATOM   785  C CB  . GLN A 1 90  ? -44.471 -18.929 -28.349 1.00 24.23 ? 96  GLN B CB  1 
ATOM   786  C CG  . GLN A 1 90  ? -45.542 -17.854 -28.391 1.00 31.84 ? 96  GLN B CG  1 
ATOM   787  C CD  . GLN A 1 90  ? -46.869 -18.444 -28.009 1.00 42.10 ? 96  GLN B CD  1 
ATOM   788  O OE1 . GLN A 1 90  ? -47.129 -18.692 -26.831 1.00 52.58 ? 96  GLN B OE1 1 
ATOM   789  N NE2 . GLN A 1 90  ? -47.679 -18.728 -29.023 1.00 45.91 ? 96  GLN B NE2 1 
ATOM   790  N N   . PHE A 1 91  ? -41.255 -19.414 -27.946 1.00 16.75 ? 97  PHE B N   1 
ATOM   791  C CA  . PHE A 1 91  ? -40.224 -20.404 -27.578 1.00 16.84 ? 97  PHE B CA  1 
ATOM   792  C C   . PHE A 1 91  ? -39.726 -20.131 -26.161 1.00 16.50 ? 97  PHE B C   1 
ATOM   793  O O   . PHE A 1 91  ? -39.865 -19.029 -25.613 1.00 17.52 ? 97  PHE B O   1 
ATOM   794  C CB  . PHE A 1 91  ? -39.059 -20.362 -28.566 1.00 16.26 ? 97  PHE B CB  1 
ATOM   795  C CG  . PHE A 1 91  ? -38.428 -19.001 -28.707 1.00 15.50 ? 97  PHE B CG  1 
ATOM   796  C CD1 . PHE A 1 91  ? -37.413 -18.603 -27.845 1.00 16.64 ? 97  PHE B CD1 1 
ATOM   797  C CD2 . PHE A 1 91  ? -38.781 -18.136 -29.725 1.00 16.01 ? 97  PHE B CD2 1 
ATOM   798  C CE1 . PHE A 1 91  ? -36.814 -17.360 -27.989 1.00 14.53 ? 97  PHE B CE1 1 
ATOM   799  C CE2 . PHE A 1 91  ? -38.166 -16.900 -29.882 1.00 15.04 ? 97  PHE B CE2 1 
ATOM   800  C CZ  . PHE A 1 91  ? -37.173 -16.517 -29.004 1.00 14.77 ? 97  PHE B CZ  1 
ATOM   801  N N   A SER A 1 92  ? -39.183 -21.160 -25.515 0.25 17.05 ? 98  SER B N   1 
ATOM   802  N N   B SER A 1 92  ? -39.161 -21.176 -25.556 0.25 16.61 ? 98  SER B N   1 
ATOM   803  C CA  A SER A 1 92  ? -38.546 -21.014 -24.187 0.25 17.20 ? 98  SER B CA  1 
ATOM   804  C CA  B SER A 1 92  ? -38.511 -21.131 -24.226 0.25 16.48 ? 98  SER B CA  1 
ATOM   805  C C   A SER A 1 92  ? -37.042 -20.802 -24.357 0.25 15.51 ? 98  SER B C   1 
ATOM   806  C C   B SER A 1 92  ? -37.022 -20.802 -24.382 0.25 15.07 ? 98  SER B C   1 
ATOM   807  O O   A SER A 1 92  ? -36.444 -21.331 -25.328 0.25 15.60 ? 98  SER B O   1 
ATOM   808  O O   B SER A 1 92  ? -36.407 -21.239 -25.398 0.25 15.02 ? 98  SER B O   1 
ATOM   809  C CB  A SER A 1 92  ? -38.798 -22.197 -23.315 0.25 20.01 ? 98  SER B CB  1 
ATOM   810  C CB  B SER A 1 92  ? -38.689 -22.438 -23.500 0.25 18.30 ? 98  SER B CB  1 
ATOM   811  O OG  A SER A 1 92  ? -38.458 -23.373 -24.017 0.25 22.71 ? 98  SER B OG  1 
ATOM   812  O OG  B SER A 1 92  ? -40.059 -22.639 -23.173 0.25 19.94 ? 98  SER B OG  1 
ATOM   813  N N   . LEU A 1 93  ? -36.460 -20.065 -23.418 1.00 14.48 ? 99  LEU B N   1 
ATOM   814  C CA  . LEU A 1 93  ? -35.002 -19.889 -23.339 1.00 14.23 ? 99  LEU B CA  1 
ATOM   815  C C   . LEU A 1 93  ? -34.417 -21.104 -22.645 1.00 14.33 ? 99  LEU B C   1 
ATOM   816  O O   . LEU A 1 93  ? -34.503 -21.243 -21.433 1.00 16.42 ? 99  LEU B O   1 
ATOM   817  C CB  . LEU A 1 93  ? -34.660 -18.613 -22.571 1.00 14.76 ? 99  LEU B CB  1 
ATOM   818  C CG  . LEU A 1 93  ? -35.132 -17.324 -23.222 1.00 16.60 ? 99  LEU B CG  1 
ATOM   819  C CD1 . LEU A 1 93  ? -34.783 -16.126 -22.353 1.00 16.38 ? 99  LEU B CD1 1 
ATOM   820  C CD2 . LEU A 1 93  ? -34.563 -17.132 -24.616 1.00 17.65 ? 99  LEU B CD2 1 
ATOM   821  N N   . SER A 1 94  ? -33.730 -21.978 -23.383 1.00 13.44 ? 100 SER B N   1 
ATOM   822  C CA  . SER A 1 94  ? -33.140 -23.216 -22.842 1.00 13.59 ? 100 SER B CA  1 
ATOM   823  C C   . SER A 1 94  ? -31.940 -23.564 -23.703 1.00 11.97 ? 100 SER B C   1 
ATOM   824  O O   . SER A 1 94  ? -31.935 -23.240 -24.892 1.00 12.22 ? 100 SER B O   1 
ATOM   825  C CB  . SER A 1 94  ? -34.078 -24.389 -22.850 1.00 16.19 ? 100 SER B CB  1 
ATOM   826  O OG  . SER A 1 94  ? -34.455 -24.713 -24.186 1.00 18.37 ? 100 SER B OG  1 
ATOM   827  N N   . PRO A 1 95  ? -30.991 -24.325 -23.164 1.00 11.97 ? 101 PRO B N   1 
ATOM   828  C CA  . PRO A 1 95  ? -29.905 -24.857 -23.999 1.00 12.33 ? 101 PRO B CA  1 
ATOM   829  C C   . PRO A 1 95  ? -30.408 -25.739 -25.148 1.00 13.70 ? 101 PRO B C   1 
ATOM   830  O O   . PRO A 1 95  ? -29.828 -25.645 -26.260 1.00 13.93 ? 101 PRO B O   1 
ATOM   831  C CB  . PRO A 1 95  ? -29.006 -25.611 -23.000 1.00 14.01 ? 101 PRO B CB  1 
ATOM   832  C CG  . PRO A 1 95  ? -29.289 -24.896 -21.672 1.00 14.52 ? 101 PRO B CG  1 
ATOM   833  C CD  . PRO A 1 95  ? -30.769 -24.607 -21.739 1.00 13.32 ? 101 PRO B CD  1 
ATOM   834  N N   . GLU A 1 96  ? -31.510 -26.458 -24.946 1.00 14.39 ? 102 GLU B N   1 
ATOM   835  C CA  . GLU A 1 96  ? -32.095 -27.300 -26.039 1.00 16.12 ? 102 GLU B CA  1 
ATOM   836  C C   . GLU A 1 96  ? -32.465 -26.419 -27.230 1.00 15.93 ? 102 GLU B C   1 
ATOM   837  O O   . GLU A 1 96  ? -32.408 -26.873 -28.379 1.00 17.35 ? 102 GLU B O   1 
ATOM   838  C CB  . GLU A 1 96  ? -33.308 -28.070 -25.524 1.00 21.55 ? 102 GLU B CB  1 
ATOM   839  C CG  . GLU A 1 96  ? -32.955 -28.965 -24.356 1.00 29.65 ? 102 GLU B CG  1 
ATOM   840  C CD  . GLU A 1 96  ? -33.256 -28.431 -22.953 1.00 35.61 ? 102 GLU B CD  1 
ATOM   841  O OE1 . GLU A 1 96  ? -32.478 -27.563 -22.396 1.00 24.97 ? 102 GLU B OE1 1 
ATOM   842  O OE2 . GLU A 1 96  ? -34.274 -28.929 -22.386 1.00 46.20 ? 102 GLU B OE2 1 
ATOM   843  N N   . ASN A 1 97  ? -32.932 -25.194 -26.993 1.00 13.90 ? 103 ASN B N   1 
ATOM   844  C CA  . ASN A 1 97  ? -33.326 -24.254 -28.057 1.00 13.72 ? 103 ASN B CA  1 
ATOM   845  C C   . ASN A 1 97  ? -32.161 -23.341 -28.449 1.00 13.07 ? 103 ASN B C   1 
ATOM   846  O O   . ASN A 1 97  ? -32.355 -22.484 -29.310 1.00 14.12 ? 103 ASN B O   1 
ATOM   847  C CB  . ASN A 1 97  ? -34.534 -23.417 -27.615 1.00 14.56 ? 103 ASN B CB  1 
ATOM   848  C CG  . ASN A 1 97  ? -35.824 -24.193 -27.610 1.00 17.33 ? 103 ASN B CG  1 
ATOM   849  O OD1 . ASN A 1 97  ? -35.913 -25.256 -28.262 1.00 19.26 ? 103 ASN B OD1 1 
ATOM   850  N ND2 . ASN A 1 97  ? -36.794 -23.750 -26.813 1.00 18.34 ? 103 ASN B ND2 1 
ATOM   851  N N   . GLY A 1 98  ? -30.953 -23.525 -27.903 1.00 11.90 ? 104 GLY B N   1 
ATOM   852  C CA  . GLY A 1 98  ? -29.783 -22.748 -28.319 1.00 11.27 ? 104 GLY B CA  1 
ATOM   853  C C   . GLY A 1 98  ? -29.509 -21.475 -27.527 1.00 10.54 ? 104 GLY B C   1 
ATOM   854  O O   . GLY A 1 98  ? -28.848 -20.591 -28.042 1.00 11.24 ? 104 GLY B O   1 
ATOM   855  N N   . PHE A 1 99  ? -29.990 -21.408 -26.269 1.00 11.02 ? 105 PHE B N   1 
ATOM   856  C CA  . PHE A 1 99  ? -29.781 -20.215 -25.410 1.00 10.25 ? 105 PHE B CA  1 
ATOM   857  C C   . PHE A 1 99  ? -29.076 -20.581 -24.108 1.00 9.94  ? 105 PHE B C   1 
ATOM   858  O O   . PHE A 1 99  ? -29.532 -21.573 -23.470 1.00 11.26 ? 105 PHE B O   1 
ATOM   859  C CB  . PHE A 1 99  ? -31.132 -19.549 -25.068 1.00 10.76 ? 105 PHE B CB  1 
ATOM   860  C CG  . PHE A 1 99  ? -31.910 -19.060 -26.267 1.00 10.62 ? 105 PHE B CG  1 
ATOM   861  C CD1 . PHE A 1 99  ? -32.806 -19.882 -26.917 1.00 11.31 ? 105 PHE B CD1 1 
ATOM   862  C CD2 . PHE A 1 99  ? -31.767 -17.760 -26.716 1.00 10.86 ? 105 PHE B CD2 1 
ATOM   863  C CE1 . PHE A 1 99  ? -33.554 -19.426 -27.995 1.00 11.77 ? 105 PHE B CE1 1 
ATOM   864  C CE2 . PHE A 1 99  ? -32.529 -17.303 -27.778 1.00 11.65 ? 105 PHE B CE2 1 
ATOM   865  C CZ  . PHE A 1 99  ? -33.407 -18.136 -28.405 1.00 11.54 ? 105 PHE B CZ  1 
ATOM   866  N N   . TRP A 1 100 ? -28.152 -19.737 -23.669 1.00 9.55  ? 106 TRP B N   1 
ATOM   867  C CA  . TRP A 1 100 ? -27.442 -19.837 -22.369 1.00 9.56  ? 106 TRP B CA  1 
ATOM   868  C C   . TRP A 1 100 ? -27.595 -18.481 -21.688 1.00 8.90  ? 106 TRP B C   1 
ATOM   869  O O   . TRP A 1 100 ? -26.855 -17.546 -22.022 1.00 9.82  ? 106 TRP B O   1 
ATOM   870  C CB  . TRP A 1 100 ? -25.993 -20.288 -22.544 1.00 9.61  ? 106 TRP B CB  1 
ATOM   871  C CG  . TRP A 1 100 ? -25.925 -21.677 -23.124 1.00 9.95  ? 106 TRP B CG  1 
ATOM   872  C CD1 . TRP A 1 100 ? -25.831 -22.871 -22.458 1.00 10.97 ? 106 TRP B CD1 1 
ATOM   873  C CD2 . TRP A 1 100 ? -25.937 -22.021 -24.536 1.00 10.73 ? 106 TRP B CD2 1 
ATOM   874  N NE1 . TRP A 1 100 ? -25.851 -23.924 -23.355 1.00 11.75 ? 106 TRP B NE1 1 
ATOM   875  C CE2 . TRP A 1 100 ? -25.919 -23.424 -24.622 1.00 11.50 ? 106 TRP B CE2 1 
ATOM   876  C CE3 . TRP A 1 100 ? -25.998 -21.259 -25.713 1.00 11.13 ? 106 TRP B CE3 1 
ATOM   877  C CZ2 . TRP A 1 100 ? -25.966 -24.094 -25.859 1.00 12.74 ? 106 TRP B CZ2 1 
ATOM   878  C CZ3 . TRP A 1 100 ? -26.038 -21.936 -26.929 1.00 12.70 ? 106 TRP B CZ3 1 
ATOM   879  C CH2 . TRP A 1 100 ? -26.034 -23.311 -26.982 1.00 12.37 ? 106 TRP B CH2 1 
ATOM   880  N N   . THR A 1 101 ? -28.609 -18.386 -20.810 1.00 9.67  ? 107 THR B N   1 
ATOM   881  C CA  . THR A 1 101 ? -29.109 -17.072 -20.340 1.00 9.79  ? 107 THR B CA  1 
ATOM   882  C C   . THR A 1 101 ? -29.461 -17.155 -18.844 1.00 9.41  ? 107 THR B C   1 
ATOM   883  O O   . THR A 1 101 ? -29.719 -18.224 -18.280 1.00 9.90  ? 107 THR B O   1 
ATOM   884  C CB  . THR A 1 101 ? -30.363 -16.645 -21.104 1.00 10.52 ? 107 THR B CB  1 
ATOM   885  O OG1 . THR A 1 101 ? -31.416 -17.564 -20.858 1.00 11.50 ? 107 THR B OG1 1 
ATOM   886  C CG2 . THR A 1 101 ? -30.059 -16.453 -22.579 1.00 11.02 ? 107 THR B CG2 1 
ATOM   887  N N   . ILE A 1 102 ? -29.484 -15.975 -18.230 1.00 9.83  ? 108 ILE B N   1 
ATOM   888  C CA  . ILE A 1 102 ? -30.138 -15.733 -16.902 1.00 10.18 ? 108 ILE B CA  1 
ATOM   889  C C   . ILE A 1 102 ? -31.141 -14.603 -17.090 1.00 9.91  ? 108 ILE B C   1 
ATOM   890  O O   . ILE A 1 102 ? -31.057 -13.834 -18.069 1.00 9.84  ? 108 ILE B O   1 
ATOM   891  C CB  . ILE A 1 102 ? -29.113 -15.422 -15.795 1.00 10.16 ? 108 ILE B CB  1 
ATOM   892  C CG1 . ILE A 1 102 ? -28.421 -14.065 -15.976 1.00 11.21 ? 108 ILE B CG1 1 
ATOM   893  C CG2 . ILE A 1 102 ? -28.094 -16.554 -15.681 1.00 11.23 ? 108 ILE B CG2 1 
ATOM   894  C CD1 . ILE A 1 102 ? -27.567 -13.593 -14.805 1.00 11.77 ? 108 ILE B CD1 1 
ATOM   895  N N   . TRP A 1 103 ? -31.976 -14.427 -16.092 1.00 10.03 ? 109 TRP B N   1 
ATOM   896  C CA  . TRP A 1 103 ? -33.006 -13.376 -16.153 1.00 10.83 ? 109 TRP B CA  1 
ATOM   897  C C   . TRP A 1 103 ? -33.438 -12.932 -14.771 1.00 10.78 ? 109 TRP B C   1 
ATOM   898  O O   . TRP A 1 103 ? -33.244 -13.617 -13.753 1.00 11.18 ? 109 TRP B O   1 
ATOM   899  C CB  . TRP A 1 103 ? -34.189 -13.792 -16.982 1.00 12.96 ? 109 TRP B CB  1 
ATOM   900  C CG  . TRP A 1 103 ? -34.985 -14.934 -16.479 1.00 14.52 ? 109 TRP B CG  1 
ATOM   901  C CD1 . TRP A 1 103 ? -35.868 -14.936 -15.437 1.00 15.21 ? 109 TRP B CD1 1 
ATOM   902  C CD2 . TRP A 1 103 ? -35.099 -16.199 -17.117 1.00 15.44 ? 109 TRP B CD2 1 
ATOM   903  N NE1 . TRP A 1 103 ? -36.501 -16.136 -15.368 1.00 17.67 ? 109 TRP B NE1 1 
ATOM   904  C CE2 . TRP A 1 103 ? -36.064 -16.932 -16.383 1.00 16.25 ? 109 TRP B CE2 1 
ATOM   905  C CE3 . TRP A 1 103 ? -34.481 -16.764 -18.229 1.00 16.58 ? 109 TRP B CE3 1 
ATOM   906  C CZ2 . TRP A 1 103 ? -36.406 -18.237 -16.734 1.00 18.59 ? 109 TRP B CZ2 1 
ATOM   907  C CZ3 . TRP A 1 103 ? -34.872 -18.026 -18.602 1.00 18.26 ? 109 TRP B CZ3 1 
ATOM   908  C CH2 . TRP A 1 103 ? -35.820 -18.731 -17.874 1.00 17.89 ? 109 TRP B CH2 1 
ATOM   909  N N   . LEU A 1 104 ? -34.023 -11.716 -14.787 1.00 10.71 ? 110 LEU B N   1 
ATOM   910  C CA  . LEU A 1 104 ? -34.804 -11.169 -13.667 1.00 10.96 ? 110 LEU B CA  1 
ATOM   911  C C   . LEU A 1 104 ? -36.263 -11.138 -14.093 1.00 10.73 ? 110 LEU B C   1 
ATOM   912  O O   . LEU A 1 104 ? -36.575 -10.652 -15.182 1.00 10.78 ? 110 LEU B O   1 
ATOM   913  C CB  . LEU A 1 104 ? -34.341 -9.769  -13.350 1.00 11.48 ? 110 LEU B CB  1 
ATOM   914  C CG  . LEU A 1 104 ? -35.180 -9.007  -12.322 1.00 11.78 ? 110 LEU B CG  1 
ATOM   915  C CD1 . LEU A 1 104 ? -35.167 -9.675  -10.951 1.00 13.18 ? 110 LEU B CD1 1 
ATOM   916  C CD2 . LEU A 1 104 ? -34.726 -7.575  -12.231 1.00 13.75 ? 110 LEU B CD2 1 
ATOM   917  N N   . TRP A 1 105 ? -37.150 -11.582 -13.199 1.00 11.72 ? 111 TRP B N   1 
ATOM   918  C CA  . TRP A 1 105 ? -38.602 -11.579 -13.427 1.00 13.25 ? 111 TRP B CA  1 
ATOM   919  C C   . TRP A 1 105 ? -39.311 -11.622 -12.082 1.00 15.06 ? 111 TRP B C   1 
ATOM   920  O O   . TRP A 1 105 ? -39.017 -12.542 -11.280 1.00 14.37 ? 111 TRP B O   1 
ATOM   921  C CB  . TRP A 1 105 ? -38.970 -12.821 -14.265 1.00 17.13 ? 111 TRP B CB  1 
ATOM   922  C CG  . TRP A 1 105 ? -40.411 -13.077 -14.397 1.00 20.38 ? 111 TRP B CG  1 
ATOM   923  C CD1 . TRP A 1 105 ? -41.183 -14.065 -13.834 1.00 21.20 ? 111 TRP B CD1 1 
ATOM   924  C CD2 . TRP A 1 105 ? -41.276 -12.265 -15.182 1.00 20.78 ? 111 TRP B CD2 1 
ATOM   925  N NE1 . TRP A 1 105 ? -42.468 -13.920 -14.249 1.00 22.07 ? 111 TRP B NE1 1 
ATOM   926  C CE2 . TRP A 1 105 ? -42.561 -12.824 -15.060 1.00 19.28 ? 111 TRP B CE2 1 
ATOM   927  C CE3 . TRP A 1 105 ? -41.090 -11.146 -15.991 1.00 19.58 ? 111 TRP B CE3 1 
ATOM   928  C CZ2 . TRP A 1 105 ? -43.662 -12.299 -15.719 1.00 23.38 ? 111 TRP B CZ2 1 
ATOM   929  C CZ3 . TRP A 1 105 ? -42.190 -10.594 -16.606 1.00 25.20 ? 111 TRP B CZ3 1 
ATOM   930  C CH2 . TRP A 1 105 ? -43.460 -11.149 -16.456 1.00 24.10 ? 111 TRP B CH2 1 
ATOM   931  N N   . GLN A 1 106 ? -40.220 -10.658 -11.837 1.00 13.47 ? 112 GLN B N   1 
ATOM   932  C CA  . GLN A 1 106 ? -41.024 -10.684 -10.579 1.00 14.11 ? 112 GLN B CA  1 
ATOM   933  C C   . GLN A 1 106 ? -40.130 -10.861 -9.373  1.00 15.00 ? 112 GLN B C   1 
ATOM   934  O O   . GLN A 1 106 ? -40.487 -11.722 -8.485  1.00 16.92 ? 112 GLN B O   1 
ATOM   935  C CB  . GLN A 1 106 ? -42.134 -11.723 -10.713 1.00 15.08 ? 112 GLN B CB  1 
ATOM   936  C CG  . GLN A 1 106 ? -43.071 -11.385 -11.857 1.00 16.82 ? 112 GLN B CG  1 
ATOM   937  C CD  . GLN A 1 106 ? -44.332 -12.205 -11.930 1.00 19.33 ? 112 GLN B CD  1 
ATOM   938  O OE1 . GLN A 1 106 ? -45.270 -11.904 -12.691 1.00 21.81 ? 112 GLN B OE1 1 
ATOM   939  N NE2 . GLN A 1 106 ? -44.376 -13.257 -11.146 1.00 17.14 ? 112 GLN B NE2 1 
ATOM   940  N N   . ASP A 1 107 ? -39.111 -10.038 -9.228  1.00 15.69 ? 113 ASP B N   1 
ATOM   941  C CA  . ASP A 1 107 ? -38.284 -9.955  -8.020  1.00 20.02 ? 113 ASP B CA  1 
ATOM   942  C C   . ASP A 1 107 ? -37.501 -11.254 -7.761  1.00 19.90 ? 113 ASP B C   1 
ATOM   943  O O   . ASP A 1 107 ? -36.893 -11.349 -6.674  1.00 26.68 ? 113 ASP B O   1 
ATOM   944  C CB  . ASP A 1 107 ? -39.234 -9.684  -6.845  1.00 23.97 ? 113 ASP B CB  1 
ATOM   945  C CG  . ASP A 1 107 ? -38.593 -9.078  -5.639  1.00 32.95 ? 113 ASP B CG  1 
ATOM   946  O OD1 . ASP A 1 107 ? -37.631 -8.283  -5.793  1.00 37.95 ? 113 ASP B OD1 1 
ATOM   947  O OD2 . ASP A 1 107 ? -39.114 -9.382  -4.524  1.00 44.08 ? 113 ASP B OD2 1 
ATOM   948  N N   . SER A 1 108 ? -37.374 -12.150 -8.739  1.00 16.00 ? 114 SER B N   1 
ATOM   949  C CA  . SER A 1 108 ? -36.466 -13.330 -8.596  1.00 17.86 ? 114 SER B CA  1 
ATOM   950  C C   . SER A 1 108 ? -35.531 -13.439 -9.803  1.00 15.60 ? 114 SER B C   1 
ATOM   951  O O   . SER A 1 108 ? -35.928 -13.139 -10.983 1.00 15.03 ? 114 SER B O   1 
ATOM   952  C CB  . SER A 1 108 ? -37.236 -14.574 -8.252  1.00 24.32 ? 114 SER B CB  1 
ATOM   953  O OG  . SER A 1 108 ? -37.897 -15.118 -9.353  1.00 33.79 ? 114 SER B OG  1 
ATOM   954  N N   . TYR A 1 109 ? -34.331 -13.905 -9.550  1.00 13.65 ? 115 TYR B N   1 
ATOM   955  C CA  . TYR A 1 109 ? -33.318 -14.192 -10.605 1.00 12.53 ? 115 TYR B CA  1 
ATOM   956  C C   . TYR A 1 109 ? -33.295 -15.683 -10.863 1.00 11.87 ? 115 TYR B C   1 
ATOM   957  O O   . TYR A 1 109 ? -33.290 -16.475 -9.914  1.00 13.02 ? 115 TYR B O   1 
ATOM   958  C CB  . TYR A 1 109 ? -31.953 -13.679 -10.175 1.00 12.60 ? 115 TYR B CB  1 
ATOM   959  C CG  . TYR A 1 109 ? -31.902 -12.178 -9.931  1.00 12.99 ? 115 TYR B CG  1 
ATOM   960  C CD1 . TYR A 1 109 ? -32.158 -11.630 -8.679  1.00 13.82 ? 115 TYR B CD1 1 
ATOM   961  C CD2 . TYR A 1 109 ? -31.538 -11.309 -10.939 1.00 12.34 ? 115 TYR B CD2 1 
ATOM   962  C CE1 . TYR A 1 109 ? -32.038 -10.264 -8.446  1.00 14.32 ? 115 TYR B CE1 1 
ATOM   963  C CE2 . TYR A 1 109 ? -31.470 -9.939  -10.731 1.00 12.95 ? 115 TYR B CE2 1 
ATOM   964  C CZ  . TYR A 1 109 ? -31.729 -9.412  -9.484  1.00 13.45 ? 115 TYR B CZ  1 
ATOM   965  O OH  . TYR A 1 109 ? -31.689 -8.059  -9.255  1.00 14.91 ? 115 TYR B OH  1 
ATOM   966  N N   A GLU A 1 110 ? -33.274 -16.094 -12.139 0.25 11.88 ? 116 GLU B N   1 
ATOM   967  N N   B GLU A 1 110 ? -33.257 -16.065 -12.145 0.25 11.85 ? 116 GLU B N   1 
ATOM   968  C CA  A GLU A 1 110 ? -33.269 -17.531 -12.528 0.25 12.28 ? 116 GLU B CA  1 
ATOM   969  C CA  B GLU A 1 110 ? -33.290 -17.480 -12.600 0.25 12.18 ? 116 GLU B CA  1 
ATOM   970  C C   A GLU A 1 110 ? -32.344 -17.761 -13.725 0.25 11.10 ? 116 GLU B C   1 
ATOM   971  C C   B GLU A 1 110 ? -32.208 -17.696 -13.667 0.25 10.78 ? 116 GLU B C   1 
ATOM   972  O O   A GLU A 1 110 ? -32.274 -16.905 -14.612 0.25 11.26 ? 116 GLU B O   1 
ATOM   973  O O   B GLU A 1 110 ? -31.824 -16.732 -14.374 0.25 9.99  ? 116 GLU B O   1 
ATOM   974  C CB  A GLU A 1 110 ? -34.673 -18.038 -12.841 0.25 13.63 ? 116 GLU B CB  1 
ATOM   975  C CB  B GLU A 1 110 ? -34.674 -17.861 -13.128 0.25 13.84 ? 116 GLU B CB  1 
ATOM   976  C CG  A GLU A 1 110 ? -35.633 -17.903 -11.670 0.25 15.59 ? 116 GLU B CG  1 
ATOM   977  C CG  B GLU A 1 110 ? -35.791 -17.723 -12.097 0.25 16.33 ? 116 GLU B CG  1 
ATOM   978  C CD  A GLU A 1 110 ? -37.050 -18.293 -12.035 0.25 16.82 ? 116 GLU B CD  1 
ATOM   979  C CD  B GLU A 1 110 ? -35.953 -18.910 -11.157 0.25 17.59 ? 116 GLU B CD  1 
ATOM   980  O OE1 A GLU A 1 110 ? -37.491 -17.928 -13.140 0.25 18.70 ? 116 GLU B OE1 1 
ATOM   981  O OE1 B GLU A 1 110 ? -35.462 -20.005 -11.488 0.25 22.70 ? 116 GLU B OE1 1 
ATOM   982  O OE2 A GLU A 1 110 ? -37.714 -18.964 -11.211 0.25 17.60 ? 116 GLU B OE2 1 
ATOM   983  O OE2 B GLU A 1 110 ? -36.616 -18.749 -10.131 0.25 23.20 ? 116 GLU B OE2 1 
ATOM   984  N N   . ALA A 1 111 ? -31.706 -18.931 -13.760 1.00 11.37 ? 117 ALA B N   1 
ATOM   985  C CA  . ALA A 1 111 ? -30.942 -19.377 -14.931 1.00 10.94 ? 117 ALA B CA  1 
ATOM   986  C C   . ALA A 1 111 ? -31.872 -20.140 -15.870 1.00 12.01 ? 117 ALA B C   1 
ATOM   987  O O   . ALA A 1 111 ? -32.728 -20.944 -15.455 1.00 11.68 ? 117 ALA B O   1 
ATOM   988  C CB  . ALA A 1 111 ? -29.748 -20.236 -14.538 1.00 11.59 ? 117 ALA B CB  1 
ATOM   989  N N   . GLY A 1 112 ? -31.723 -19.864 -17.171 1.00 11.47 ? 118 GLY B N   1 
ATOM   990  C CA  . GLY A 1 112 ? -32.520 -20.475 -18.259 1.00 12.28 ? 118 GLY B CA  1 
ATOM   991  C C   . GLY A 1 112 ? -32.161 -21.913 -18.559 1.00 12.93 ? 118 GLY B C   1 
ATOM   992  O O   . GLY A 1 112 ? -31.881 -22.262 -19.679 1.00 14.49 ? 118 GLY B O   1 
ATOM   993  N N   . THR A 1 113 ? -32.122 -22.775 -17.565 1.00 14.15 ? 119 THR B N   1 
ATOM   994  C CA  . THR A 1 113 ? -32.106 -24.236 -17.761 1.00 15.91 ? 119 THR B CA  1 
ATOM   995  C C   . THR A 1 113 ? -33.529 -24.736 -18.009 1.00 16.58 ? 119 THR B C   1 
ATOM   996  O O   . THR A 1 113 ? -34.462 -23.958 -17.887 1.00 18.61 ? 119 THR B O   1 
ATOM   997  C CB  . THR A 1 113 ? -31.451 -24.840 -16.533 1.00 13.82 ? 119 THR B CB  1 
ATOM   998  O OG1 . THR A 1 113 ? -32.194 -24.391 -15.378 1.00 14.01 ? 119 THR B OG1 1 
ATOM   999  C CG2 . THR A 1 113 ? -30.016 -24.485 -16.313 1.00 15.70 ? 119 THR B CG2 1 
ATOM   1000 N N   . SER A 1 114 ? -33.688 -26.021 -18.332 1.00 19.62 ? 120 SER B N   1 
ATOM   1001 C CA  . SER A 1 114 ? -35.036 -26.596 -18.520 1.00 23.42 ? 120 SER B CA  1 
ATOM   1002 C C   . SER A 1 114 ? -35.220 -27.775 -17.565 1.00 23.97 ? 120 SER B C   1 
ATOM   1003 O O   . SER A 1 114 ? -34.563 -28.812 -17.706 1.00 25.68 ? 120 SER B O   1 
ATOM   1004 C CB  . SER A 1 114 ? -35.282 -26.979 -19.972 1.00 29.23 ? 120 SER B CB  1 
ATOM   1005 O OG  . SER A 1 114 ? -36.655 -27.345 -20.126 1.00 32.72 ? 120 SER B OG  1 
ATOM   1006 N N   . PRO A 1 115 ? -36.008 -27.609 -16.483 1.00 22.42 ? 121 PRO B N   1 
ATOM   1007 C CA  . PRO A 1 115 ? -36.666 -26.362 -16.123 1.00 21.67 ? 121 PRO B CA  1 
ATOM   1008 C C   . PRO A 1 115 ? -35.696 -25.357 -15.469 1.00 18.00 ? 121 PRO B C   1 
ATOM   1009 O O   . PRO A 1 115 ? -34.548 -25.674 -15.162 1.00 17.37 ? 121 PRO B O   1 
ATOM   1010 C CB  . PRO A 1 115 ? -37.723 -26.810 -15.112 1.00 24.68 ? 121 PRO B CB  1 
ATOM   1011 C CG  . PRO A 1 115 ? -37.040 -27.937 -14.389 1.00 23.35 ? 121 PRO B CG  1 
ATOM   1012 C CD  . PRO A 1 115 ? -36.238 -28.660 -15.465 1.00 23.28 ? 121 PRO B CD  1 
ATOM   1013 N N   . GLN A 1 116 ? -36.157 -24.130 -15.286 1.00 17.80 ? 122 GLN B N   1 
ATOM   1014 C CA  . GLN A 1 116 ? -35.318 -23.012 -14.797 1.00 17.12 ? 122 GLN B CA  1 
ATOM   1015 C C   . GLN A 1 116 ? -34.801 -23.272 -13.381 1.00 15.00 ? 122 GLN B C   1 
ATOM   1016 O O   . GLN A 1 116 ? -35.423 -24.010 -12.599 1.00 15.65 ? 122 GLN B O   1 
ATOM   1017 C CB  . GLN A 1 116 ? -36.026 -21.661 -14.908 1.00 20.92 ? 122 GLN B CB  1 
ATOM   1018 C CG  . GLN A 1 116 ? -37.079 -21.394 -13.865 1.00 27.48 ? 122 GLN B CG  1 
ATOM   1019 C CD  . GLN A 1 116 ? -38.458 -21.549 -14.440 1.00 36.99 ? 122 GLN B CD  1 
ATOM   1020 O OE1 . GLN A 1 116 ? -38.743 -22.483 -15.197 1.00 43.36 ? 122 GLN B OE1 1 
ATOM   1021 N NE2 . GLN A 1 116 ? -39.334 -20.655 -14.021 1.00 43.43 ? 122 GLN B NE2 1 
ATOM   1022 N N   . THR A 1 117 ? -33.668 -22.678 -13.077 1.00 13.25 ? 123 THR B N   1 
ATOM   1023 C CA  . THR A 1 117 ? -32.940 -22.833 -11.807 1.00 12.68 ? 123 THR B CA  1 
ATOM   1024 C C   . THR A 1 117 ? -32.974 -21.526 -11.021 1.00 12.09 ? 123 THR B C   1 
ATOM   1025 O O   . THR A 1 117 ? -32.524 -20.499 -11.522 1.00 13.28 ? 123 THR B O   1 
ATOM   1026 C CB  . THR A 1 117 ? -31.510 -23.311 -12.080 1.00 12.49 ? 123 THR B CB  1 
ATOM   1027 O OG1 . THR A 1 117 ? -31.586 -24.546 -12.788 1.00 13.51 ? 123 THR B OG1 1 
ATOM   1028 C CG2 . THR A 1 117 ? -30.750 -23.484 -10.788 1.00 14.00 ? 123 THR B CG2 1 
ATOM   1029 N N   . THR A 1 118 ? -33.386 -21.572 -9.762  1.00 13.30 ? 124 THR B N   1 
ATOM   1030 C CA  . THR A 1 118 ? -33.327 -20.425 -8.850  1.00 13.63 ? 124 THR B CA  1 
ATOM   1031 C C   . THR A 1 118 ? -31.904 -19.955 -8.591  1.00 13.23 ? 124 THR B C   1 
ATOM   1032 O O   . THR A 1 118 ? -30.995 -20.820 -8.292  1.00 15.23 ? 124 THR B O   1 
ATOM   1033 C CB  . THR A 1 118 ? -33.960 -20.870 -7.528  1.00 16.86 ? 124 THR B CB  1 
ATOM   1034 O OG1 . THR A 1 118 ? -35.327 -21.159 -7.773  1.00 20.11 ? 124 THR B OG1 1 
ATOM   1035 C CG2 . THR A 1 118 ? -33.745 -19.838 -6.451  1.00 19.92 ? 124 THR B CG2 1 
ATOM   1036 N N   . LEU A 1 119 ? -31.635 -18.656 -8.699  1.00 12.16 ? 125 LEU B N   1 
ATOM   1037 C CA  . LEU A 1 119 ? -30.333 -18.061 -8.399  1.00 11.61 ? 125 LEU B CA  1 
ATOM   1038 C C   . LEU A 1 119 ? -30.403 -17.463 -6.981  1.00 14.14 ? 125 LEU B C   1 
ATOM   1039 O O   . LEU A 1 119 ? -31.525 -17.198 -6.477  1.00 18.90 ? 125 LEU B O   1 
ATOM   1040 C CB  . LEU A 1 119 ? -29.896 -16.986 -9.424  1.00 12.08 ? 125 LEU B CB  1 
ATOM   1041 C CG  . LEU A 1 119 ? -29.804 -17.517 -10.860 1.00 11.62 ? 125 LEU B CG  1 
ATOM   1042 C CD1 . LEU A 1 119 ? -29.557 -16.397 -11.857 1.00 11.67 ? 125 LEU B CD1 1 
ATOM   1043 C CD2 . LEU A 1 119 ? -28.725 -18.607 -10.991 1.00 12.64 ? 125 LEU B CD2 1 
ATOM   1044 N N   . HIS A 1 120 ? -29.276 -17.382 -6.314  1.00 13.59 ? 126 HIS B N   1 
ATOM   1045 C CA  . HIS A 1 120 ? -29.151 -16.915 -4.910  1.00 13.54 ? 126 HIS B CA  1 
ATOM   1046 C C   . HIS A 1 120 ? -28.319 -15.646 -4.960  1.00 14.93 ? 126 HIS B C   1 
ATOM   1047 O O   . HIS A 1 120 ? -27.066 -15.718 -4.927  1.00 20.54 ? 126 HIS B O   1 
ATOM   1048 C CB  . HIS A 1 120 ? -28.484 -18.024 -4.076  1.00 14.75 ? 126 HIS B CB  1 
ATOM   1049 C CG  . HIS A 1 120 ? -29.256 -19.304 -4.016  1.00 15.81 ? 126 HIS B CG  1 
ATOM   1050 N ND1 . HIS A 1 120 ? -28.988 -20.391 -4.847  1.00 19.45 ? 126 HIS B ND1 1 
ATOM   1051 C CD2 . HIS A 1 120 ? -30.324 -19.661 -3.293  1.00 18.51 ? 126 HIS B CD2 1 
ATOM   1052 C CE1 . HIS A 1 120 ? -29.865 -21.349 -4.590  1.00 20.63 ? 126 HIS B CE1 1 
ATOM   1053 N NE2 . HIS A 1 120 ? -30.665 -20.956 -3.640  1.00 17.73 ? 126 HIS B NE2 1 
ATOM   1054 N N   . ILE A 1 121 ? -28.939 -14.498 -5.090  1.00 17.91 ? 127 ILE B N   1 
ATOM   1055 C CA  . ILE A 1 121 ? -28.231 -13.197 -5.206  1.00 19.70 ? 127 ILE B CA  1 
ATOM   1056 C C   . ILE A 1 121 ? -28.612 -12.343 -3.966  1.00 20.00 ? 127 ILE B C   1 
ATOM   1057 O O   . ILE A 1 121 ? -29.789 -12.121 -3.737  1.00 27.75 ? 127 ILE B O   1 
ATOM   1058 C CB  . ILE A 1 121 ? -28.615 -12.540 -6.551  1.00 20.82 ? 127 ILE B CB  1 
ATOM   1059 C CG1 . ILE A 1 121 ? -28.186 -13.410 -7.750  1.00 19.10 ? 127 ILE B CG1 1 
ATOM   1060 C CG2 . ILE A 1 121 ? -28.050 -11.125 -6.559  1.00 27.22 ? 127 ILE B CG2 1 
ATOM   1061 C CD1 . ILE A 1 121 ? -28.317 -12.739 -9.108  1.00 19.63 ? 127 ILE B CD1 1 
ATOM   1062 N N   . GLN A 1 122 ? -27.623 -12.025 -3.149  1.00 24.18 ? 128 GLN B N   1 
ATOM   1063 C CA  . GLN A 1 122 ? -27.841 -11.221 -1.904  1.00 27.02 ? 128 GLN B CA  1 
ATOM   1064 C C   . GLN A 1 122 ? -27.817 -9.722  -2.255  1.00 24.35 ? 128 GLN B C   1 
ATOM   1065 O O   . GLN A 1 122 ? -28.620 -8.953  -1.649  1.00 24.35 ? 128 GLN B O   1 
ATOM   1066 C CB  . GLN A 1 122 ? -26.779 -11.616 -0.865  1.00 31.38 ? 128 GLN B CB  1 
ATOM   1067 C CG  . GLN A 1 122 ? -26.865 -10.847 0.459   1.00 41.05 ? 128 GLN B CG  1 
ATOM   1068 C CD  . GLN A 1 122 ? -28.165 -11.030 1.217   1.00 46.68 ? 128 GLN B CD  1 
ATOM   1069 O OE1 . GLN A 1 122 ? -28.973 -11.914 0.928   1.00 54.64 ? 128 GLN B OE1 1 
ATOM   1070 N NE2 . GLN A 1 122 ? -28.392 -10.167 2.199   1.00 51.06 ? 128 GLN B NE2 1 
ATOM   1071 N N   . VAL A 1 123 ? -27.027 -9.342  -3.253  1.00 21.41 ? 129 VAL B N   1 
ATOM   1072 C CA  . VAL A 1 123 ? -26.855 -7.909  -3.669  1.00 19.54 ? 129 VAL B CA  1 
ATOM   1073 C C   . VAL A 1 123 ? -27.426 -7.707  -5.068  1.00 18.71 ? 129 VAL B C   1 
ATOM   1074 O O   . VAL A 1 123 ? -26.817 -8.198  -6.017  1.00 17.22 ? 129 VAL B O   1 
ATOM   1075 C CB  . VAL A 1 123 ? -25.383 -7.491  -3.628  1.00 20.72 ? 129 VAL B CB  1 
ATOM   1076 C CG1 . VAL A 1 123 ? -25.150 -6.076  -4.170  1.00 21.49 ? 129 VAL B CG1 1 
ATOM   1077 C CG2 . VAL A 1 123 ? -24.842 -7.593  -2.201  1.00 24.33 ? 129 VAL B CG2 1 
ATOM   1078 N N   . PRO A 1 124 ? -28.649 -7.168  -5.254  1.00 17.80 ? 130 PRO B N   1 
ATOM   1079 C CA  . PRO A 1 124 ? -29.223 -7.061  -6.600  1.00 17.78 ? 130 PRO B CA  1 
ATOM   1080 C C   . PRO A 1 124 ? -28.245 -6.361  -7.525  1.00 17.71 ? 130 PRO B C   1 
ATOM   1081 O O   . PRO A 1 124 ? -27.745 -5.300  -7.237  1.00 17.03 ? 130 PRO B O   1 
ATOM   1082 C CB  . PRO A 1 124 ? -30.493 -6.214  -6.357  1.00 20.99 ? 130 PRO B CB  1 
ATOM   1083 C CG  . PRO A 1 124 ? -30.897 -6.661  -4.935  1.00 20.55 ? 130 PRO B CG  1 
ATOM   1084 C CD  . PRO A 1 124 ? -29.589 -6.693  -4.217  1.00 20.94 ? 130 PRO B CD  1 
ATOM   1085 N N   . PRO A 1 125 ? -27.840 -6.973  -8.655  1.00 14.96 ? 131 PRO B N   1 
ATOM   1086 C CA  . PRO A 1 125 ? -26.855 -6.393  -9.543  1.00 14.86 ? 131 PRO B CA  1 
ATOM   1087 C C   . PRO A 1 125 ? -27.350 -5.184  -10.334 1.00 14.34 ? 131 PRO B C   1 
ATOM   1088 O O   . PRO A 1 125 ? -28.469 -5.224  -10.824 1.00 14.89 ? 131 PRO B O   1 
ATOM   1089 C CB  . PRO A 1 125 ? -26.449 -7.561  -10.470 1.00 16.60 ? 131 PRO B CB  1 
ATOM   1090 C CG  . PRO A 1 125 ? -27.548 -8.552  -10.359 1.00 18.28 ? 131 PRO B CG  1 
ATOM   1091 C CD  . PRO A 1 125 ? -28.206 -8.359  -9.020  1.00 15.98 ? 131 PRO B CD  1 
ATOM   1092 N N   . CYS A 1 126 ? -26.485 -4.196  -10.454 1.00 14.47 ? 132 CYS B N   1 
ATOM   1093 C CA  . CYS A 1 126 ? -26.693 -3.078  -11.401 1.00 15.36 ? 132 CYS B CA  1 
ATOM   1094 C C   . CYS A 1 126 ? -25.917 -3.339  -12.685 1.00 14.67 ? 132 CYS B C   1 
ATOM   1095 O O   . CYS A 1 126 ? -26.252 -2.755  -13.718 1.00 13.26 ? 132 CYS B O   1 
ATOM   1096 C CB  . CYS A 1 126 ? -26.278 -1.748  -10.806 1.00 18.95 ? 132 CYS B CB  1 
ATOM   1097 S SG  . CYS A 1 126 ? -27.298 -1.298  -9.374  1.00 26.28 ? 132 CYS B SG  1 
ATOM   1098 N N   A GLN A 1 127 ? -24.836 -4.134  -12.645 0.25 14.47 ? 133 GLN B N   1 
ATOM   1099 N N   B GLN A 1 127 ? -24.940 -4.246  -12.615 0.25 14.83 ? 133 GLN B N   1 
ATOM   1100 C CA  A GLN A 1 127 ? -24.092 -4.547  -13.871 0.25 14.66 ? 133 GLN B CA  1 
ATOM   1101 C CA  B GLN A 1 127 ? -24.068 -4.591  -13.759 0.25 15.57 ? 133 GLN B CA  1 
ATOM   1102 C C   A GLN A 1 127 ? -23.704 -6.025  -13.752 0.25 13.97 ? 133 GLN B C   1 
ATOM   1103 C C   B GLN A 1 127 ? -23.807 -6.099  -13.704 0.25 14.50 ? 133 GLN B C   1 
ATOM   1104 O O   A GLN A 1 127 ? -23.276 -6.464  -12.668 0.25 12.40 ? 133 GLN B O   1 
ATOM   1105 O O   B GLN A 1 127 ? -23.682 -6.670  -12.590 0.25 12.76 ? 133 GLN B O   1 
ATOM   1106 C CB  A GLN A 1 127 ? -22.817 -3.745  -14.159 0.25 16.32 ? 133 GLN B CB  1 
ATOM   1107 C CB  B GLN A 1 127 ? -22.797 -3.743  -13.737 0.25 18.30 ? 133 GLN B CB  1 
ATOM   1108 C CG  A GLN A 1 127 ? -23.021 -2.255  -14.381 0.25 17.63 ? 133 GLN B CG  1 
ATOM   1109 C CG  B GLN A 1 127 ? -23.070 -2.262  -13.935 0.25 20.07 ? 133 GLN B CG  1 
ATOM   1110 C CD  A GLN A 1 127 ? -22.936 -1.496  -13.081 0.25 19.85 ? 133 GLN B CD  1 
ATOM   1111 C CD  B GLN A 1 127 ? -21.839 -1.455  -14.262 0.25 21.99 ? 133 GLN B CD  1 
ATOM   1112 O OE1 A GLN A 1 127 ? -22.191 -1.870  -12.177 0.25 19.72 ? 133 GLN B OE1 1 
ATOM   1113 O OE1 B GLN A 1 127 ? -20.725 -1.969  -14.314 0.25 26.69 ? 133 GLN B OE1 1 
ATOM   1114 N NE2 A GLN A 1 127 ? -23.723 -0.434  -12.974 0.25 19.92 ? 133 GLN B NE2 1 
ATOM   1115 N NE2 B GLN A 1 127 ? -22.040 -0.171  -14.481 0.25 24.33 ? 133 GLN B NE2 1 
ATOM   1116 N N   . ILE A 1 128 ? -23.833 -6.730  -14.879 1.00 13.15 ? 134 ILE B N   1 
ATOM   1117 C CA  . ILE A 1 128 ? -23.661 -8.202  -15.017 1.00 12.90 ? 134 ILE B CA  1 
ATOM   1118 C C   . ILE A 1 128 ? -22.456 -8.391  -15.941 1.00 13.72 ? 134 ILE B C   1 
ATOM   1119 O O   . ILE A 1 128 ? -22.397 -7.787  -17.051 1.00 12.67 ? 134 ILE B O   1 
ATOM   1120 C CB  . ILE A 1 128 ? -24.918 -8.854  -15.618 1.00 13.81 ? 134 ILE B CB  1 
ATOM   1121 C CG1 . ILE A 1 128 ? -26.208 -8.664  -14.797 1.00 16.62 ? 134 ILE B CG1 1 
ATOM   1122 C CG2 . ILE A 1 128 ? -24.634 -10.342 -15.876 1.00 14.40 ? 134 ILE B CG2 1 
ATOM   1123 C CD1 . ILE A 1 128 ? -26.247 -9.421  -13.586 1.00 15.28 ? 134 ILE B CD1 1 
ATOM   1124 N N   . GLY A 1 129 ? -21.498 -9.241  -15.544 1.00 12.59 ? 135 GLY B N   1 
ATOM   1125 C CA  . GLY A 1 129 ? -20.424 -9.676  -16.445 1.00 12.40 ? 135 GLY B CA  1 
ATOM   1126 C C   . GLY A 1 129 ? -20.713 -11.055 -17.013 1.00 12.09 ? 135 GLY B C   1 
ATOM   1127 O O   . GLY A 1 129 ? -21.281 -11.919 -16.320 1.00 12.30 ? 135 GLY B O   1 
ATOM   1128 N N   . ILE A 1 130 ? -20.473 -11.209 -18.316 1.00 12.17 ? 136 ILE B N   1 
ATOM   1129 C CA  . ILE A 1 130 ? -20.730 -12.473 -19.060 1.00 11.55 ? 136 ILE B CA  1 
ATOM   1130 C C   . ILE A 1 130 ? -19.420 -12.960 -19.659 1.00 12.20 ? 136 ILE B C   1 
ATOM   1131 O O   . ILE A 1 130 ? -18.734 -12.217 -20.341 1.00 12.56 ? 136 ILE B O   1 
ATOM   1132 C CB  . ILE A 1 130 ? -21.791 -12.260 -20.147 1.00 13.05 ? 136 ILE B CB  1 
ATOM   1133 C CG1 . ILE A 1 130 ? -23.074 -11.739 -19.521 1.00 14.35 ? 136 ILE B CG1 1 
ATOM   1134 C CG2 . ILE A 1 130 ? -22.016 -13.534 -20.961 1.00 13.84 ? 136 ILE B CG2 1 
ATOM   1135 C CD1 . ILE A 1 130 ? -24.108 -11.360 -20.497 1.00 17.35 ? 136 ILE B CD1 1 
ATOM   1136 N N   . PHE A 1 131 ? -19.061 -14.169 -19.295 1.00 11.88 ? 137 PHE B N   1 
ATOM   1137 C CA  . PHE A 1 131 ? -17.820 -14.838 -19.759 1.00 11.46 ? 137 PHE B CA  1 
ATOM   1138 C C   . PHE A 1 131 ? -18.193 -16.089 -20.533 1.00 11.42 ? 137 PHE B C   1 
ATOM   1139 O O   . PHE A 1 131 ? -18.944 -16.952 -20.064 1.00 12.20 ? 137 PHE B O   1 
ATOM   1140 C CB  . PHE A 1 131 ? -16.964 -15.245 -18.566 1.00 13.12 ? 137 PHE B CB  1 
ATOM   1141 C CG  . PHE A 1 131 ? -15.710 -16.003 -18.932 1.00 14.39 ? 137 PHE B CG  1 
ATOM   1142 C CD1 . PHE A 1 131 ? -14.677 -15.367 -19.580 1.00 15.80 ? 137 PHE B CD1 1 
ATOM   1143 C CD2 . PHE A 1 131 ? -15.539 -17.332 -18.571 1.00 16.47 ? 137 PHE B CD2 1 
ATOM   1144 C CE1 . PHE A 1 131 ? -13.504 -16.054 -19.879 1.00 18.33 ? 137 PHE B CE1 1 
ATOM   1145 C CE2 . PHE A 1 131 ? -14.387 -18.031 -18.913 1.00 17.69 ? 137 PHE B CE2 1 
ATOM   1146 C CZ  . PHE A 1 131 ? -13.370 -17.379 -19.564 1.00 16.48 ? 137 PHE B CZ  1 
ATOM   1147 N N   . VAL A 1 132 ? -17.607 -16.222 -21.729 1.00 11.98 ? 138 VAL B N   1 
ATOM   1148 C CA  . VAL A 1 132 ? -17.747 -17.399 -22.612 1.00 11.95 ? 138 VAL B CA  1 
ATOM   1149 C C   . VAL A 1 132 ? -16.367 -17.989 -22.897 1.00 11.15 ? 138 VAL B C   1 
ATOM   1150 O O   . VAL A 1 132 ? -15.482 -17.302 -23.360 1.00 13.38 ? 138 VAL B O   1 
ATOM   1151 C CB  . VAL A 1 132 ? -18.485 -17.077 -23.916 1.00 12.52 ? 138 VAL B CB  1 
ATOM   1152 C CG1 . VAL A 1 132 ? -18.622 -18.335 -24.766 1.00 14.13 ? 138 VAL B CG1 1 
ATOM   1153 C CG2 . VAL A 1 132 ? -19.847 -16.464 -23.632 1.00 14.02 ? 138 VAL B CG2 1 
ATOM   1154 N N   . ASP A 1 133 ? -16.228 -19.262 -22.571 1.00 11.58 ? 139 ASP B N   1 
ATOM   1155 C CA  . ASP A 1 133 ? -15.034 -20.043 -23.015 1.00 13.04 ? 139 ASP B CA  1 
ATOM   1156 C C   . ASP A 1 133 ? -15.541 -21.066 -24.026 1.00 12.15 ? 139 ASP B C   1 
ATOM   1157 O O   . ASP A 1 133 ? -16.171 -22.073 -23.650 1.00 12.13 ? 139 ASP B O   1 
ATOM   1158 C CB  . ASP A 1 133 ? -14.303 -20.671 -21.851 1.00 13.16 ? 139 ASP B CB  1 
ATOM   1159 C CG  . ASP A 1 133 ? -13.030 -21.414 -22.245 1.00 16.13 ? 139 ASP B CG  1 
ATOM   1160 O OD1 . ASP A 1 133 ? -12.932 -21.883 -23.415 1.00 16.87 ? 139 ASP B OD1 1 
ATOM   1161 O OD2 . ASP A 1 133 ? -12.201 -21.582 -21.301 1.00 20.69 ? 139 ASP B OD2 1 
ATOM   1162 N N   . TYR A 1 134 ? -15.313 -20.809 -25.322 1.00 13.19 ? 140 TYR B N   1 
ATOM   1163 C CA  . TYR A 1 134 ? -15.917 -21.637 -26.389 1.00 13.05 ? 140 TYR B CA  1 
ATOM   1164 C C   . TYR A 1 134 ? -15.421 -23.097 -26.314 1.00 14.22 ? 140 TYR B C   1 
ATOM   1165 O O   . TYR A 1 134 ? -16.162 -24.042 -26.259 1.00 15.58 ? 140 TYR B O   1 
ATOM   1166 C CB  . TYR A 1 134 ? -15.667 -21.006 -27.763 1.00 13.54 ? 140 TYR B CB  1 
ATOM   1167 C CG  . TYR A 1 134 ? -16.603 -21.598 -28.789 1.00 13.73 ? 140 TYR B CG  1 
ATOM   1168 C CD1 . TYR A 1 134 ? -16.414 -22.879 -29.300 1.00 13.66 ? 140 TYR B CD1 1 
ATOM   1169 C CD2 . TYR A 1 134 ? -17.754 -20.941 -29.212 1.00 13.36 ? 140 TYR B CD2 1 
ATOM   1170 C CE1 . TYR A 1 134 ? -17.294 -23.468 -30.176 1.00 13.50 ? 140 TYR B CE1 1 
ATOM   1171 C CE2 . TYR A 1 134 ? -18.648 -21.522 -30.098 1.00 13.29 ? 140 TYR B CE2 1 
ATOM   1172 C CZ  . TYR A 1 134 ? -18.437 -22.795 -30.606 1.00 12.87 ? 140 TYR B CZ  1 
ATOM   1173 O OH  . TYR A 1 134 ? -19.332 -23.402 -31.429 1.00 13.21 ? 140 TYR B OH  1 
ATOM   1174 N N   . GLU A 1 135 ? -14.123 -23.221 -26.201 1.00 15.45 ? 141 GLU B N   1 
ATOM   1175 C CA  . GLU A 1 135 ? -13.475 -24.563 -26.227 1.00 16.64 ? 141 GLU B CA  1 
ATOM   1176 C C   . GLU A 1 135 ? -13.886 -25.364 -25.015 1.00 15.71 ? 141 GLU B C   1 
ATOM   1177 O O   . GLU A 1 135 ? -14.197 -26.567 -25.164 1.00 18.60 ? 141 GLU B O   1 
ATOM   1178 C CB  . GLU A 1 135 ? -11.960 -24.454 -26.361 1.00 18.48 ? 141 GLU B CB  1 
ATOM   1179 C CG  . GLU A 1 135 ? -11.544 -24.313 -27.841 1.00 25.41 ? 141 GLU B CG  1 
ATOM   1180 C CD  . GLU A 1 135 ? -11.855 -22.959 -28.381 1.00 28.14 ? 141 GLU B CD  1 
ATOM   1181 O OE1 . GLU A 1 135 ? -12.109 -22.856 -29.543 1.00 25.40 ? 141 GLU B OE1 1 
ATOM   1182 O OE2 . GLU A 1 135 ? -11.904 -21.997 -27.572 1.00 29.07 ? 141 GLU B OE2 1 
ATOM   1183 N N   . ALA A 1 136 ? -13.928 -24.749 -23.843 1.00 14.48 ? 142 ALA B N   1 
ATOM   1184 C CA  . ALA A 1 136 ? -14.303 -25.431 -22.596 1.00 15.37 ? 142 ALA B CA  1 
ATOM   1185 C C   . ALA A 1 136 ? -15.809 -25.721 -22.519 1.00 15.57 ? 142 ALA B C   1 
ATOM   1186 O O   . ALA A 1 136 ? -16.209 -26.578 -21.719 1.00 17.65 ? 142 ALA B O   1 
ATOM   1187 C CB  . ALA A 1 136 ? -13.855 -24.603 -21.421 1.00 17.29 ? 142 ALA B CB  1 
ATOM   1188 N N   . GLY A 1 137 ? -16.644 -25.082 -23.327 1.00 13.07 ? 143 GLY B N   1 
ATOM   1189 C CA  . GLY A 1 137 ? -18.093 -25.218 -23.219 1.00 12.82 ? 143 GLY B CA  1 
ATOM   1190 C C   . GLY A 1 137 ? -18.651 -24.581 -21.946 1.00 11.57 ? 143 GLY B C   1 
ATOM   1191 O O   . GLY A 1 137 ? -19.419 -25.270 -21.237 1.00 12.49 ? 143 GLY B O   1 
ATOM   1192 N N   . VAL A 1 138 ? -18.236 -23.353 -21.645 1.00 11.96 ? 144 VAL B N   1 
ATOM   1193 C CA  . VAL A 1 138 ? -18.639 -22.657 -20.384 1.00 11.66 ? 144 VAL B CA  1 
ATOM   1194 C C   . VAL A 1 138 ? -19.230 -21.298 -20.727 1.00 11.25 ? 144 VAL B C   1 
ATOM   1195 O O   . VAL A 1 138 ? -18.639 -20.513 -21.489 1.00 12.42 ? 144 VAL B O   1 
ATOM   1196 C CB  . VAL A 1 138 ? -17.409 -22.490 -19.471 1.00 12.87 ? 144 VAL B CB  1 
ATOM   1197 C CG1 . VAL A 1 138 ? -17.650 -21.514 -18.305 1.00 13.55 ? 144 VAL B CG1 1 
ATOM   1198 C CG2 . VAL A 1 138 ? -16.950 -23.862 -18.996 1.00 14.01 ? 144 VAL B CG2 1 
ATOM   1199 N N   . VAL A 1 139 ? -20.318 -20.973 -20.036 1.00 11.33 ? 145 VAL B N   1 
ATOM   1200 C CA  . VAL A 1 139 ? -20.881 -19.596 -19.976 1.00 10.68 ? 145 VAL B CA  1 
ATOM   1201 C C   . VAL A 1 139 ? -21.087 -19.231 -18.489 1.00 10.04 ? 145 VAL B C   1 
ATOM   1202 O O   . VAL A 1 139 ? -21.853 -19.957 -17.808 1.00 10.98 ? 145 VAL B O   1 
ATOM   1203 C CB  . VAL A 1 139 ? -22.210 -19.486 -20.749 1.00 11.06 ? 145 VAL B CB  1 
ATOM   1204 C CG1 . VAL A 1 139 ? -22.696 -18.035 -20.735 1.00 10.90 ? 145 VAL B CG1 1 
ATOM   1205 C CG2 . VAL A 1 139 ? -22.073 -20.031 -22.158 1.00 11.39 ? 145 VAL B CG2 1 
ATOM   1206 N N   . SER A 1 140 ? -20.431 -18.203 -18.018 1.00 10.70 ? 146 SER B N   1 
ATOM   1207 C CA  . SER A 1 140 ? -20.526 -17.785 -16.611 1.00 11.28 ? 146 SER B CA  1 
ATOM   1208 C C   . SER A 1 140 ? -20.985 -16.335 -16.513 1.00 10.65 ? 146 SER B C   1 
ATOM   1209 O O   . SER A 1 140 ? -20.709 -15.511 -17.369 1.00 11.21 ? 146 SER B O   1 
ATOM   1210 C CB  . SER A 1 140 ? -19.194 -17.960 -15.916 1.00 11.65 ? 146 SER B CB  1 
ATOM   1211 O OG  . SER A 1 140 ? -18.853 -19.342 -15.780 1.00 12.66 ? 146 SER B OG  1 
ATOM   1212 N N   . PHE A 1 141 ? -21.687 -16.063 -15.425 1.00 10.23 ? 147 PHE B N   1 
ATOM   1213 C CA  . PHE A 1 141 ? -22.307 -14.763 -15.110 1.00 10.92 ? 147 PHE B CA  1 
ATOM   1214 C C   . PHE A 1 141 ? -21.767 -14.281 -13.776 1.00 10.56 ? 147 PHE B C   1 
ATOM   1215 O O   . PHE A 1 141 ? -21.768 -15.072 -12.795 1.00 10.91 ? 147 PHE B O   1 
ATOM   1216 C CB  . PHE A 1 141 ? -23.845 -14.857 -15.095 1.00 10.40 ? 147 PHE B CB  1 
ATOM   1217 C CG  . PHE A 1 141 ? -24.430 -15.271 -16.416 1.00 10.23 ? 147 PHE B CG  1 
ATOM   1218 C CD1 . PHE A 1 141 ? -24.491 -16.612 -16.798 1.00 10.23 ? 147 PHE B CD1 1 
ATOM   1219 C CD2 . PHE A 1 141 ? -24.923 -14.301 -17.283 1.00 10.63 ? 147 PHE B CD2 1 
ATOM   1220 C CE1 . PHE A 1 141 ? -24.994 -16.974 -18.046 1.00 10.78 ? 147 PHE B CE1 1 
ATOM   1221 C CE2 . PHE A 1 141 ? -25.437 -14.682 -18.521 1.00 10.09 ? 147 PHE B CE2 1 
ATOM   1222 C CZ  . PHE A 1 141 ? -25.490 -16.015 -18.901 1.00 10.17 ? 147 PHE B CZ  1 
ATOM   1223 N N   . TYR A 1 142 ? -21.439 -12.996 -13.701 1.00 11.18 ? 148 TYR B N   1 
ATOM   1224 C CA  . TYR A 1 142 ? -20.769 -12.384 -12.528 1.00 12.39 ? 148 TYR B CA  1 
ATOM   1225 C C   . TYR A 1 142 ? -21.544 -11.138 -12.107 1.00 13.98 ? 148 TYR B C   1 
ATOM   1226 O O   . TYR A 1 142 ? -22.033 -10.350 -12.925 1.00 13.12 ? 148 TYR B O   1 
ATOM   1227 C CB  . TYR A 1 142 ? -19.297 -12.097 -12.787 1.00 12.52 ? 148 TYR B CB  1 
ATOM   1228 C CG  . TYR A 1 142 ? -18.485 -13.337 -13.062 1.00 13.11 ? 148 TYR B CG  1 
ATOM   1229 C CD1 . TYR A 1 142 ? -18.012 -14.124 -12.029 1.00 14.28 ? 148 TYR B CD1 1 
ATOM   1230 C CD2 . TYR A 1 142 ? -18.323 -13.818 -14.352 1.00 13.76 ? 148 TYR B CD2 1 
ATOM   1231 C CE1 . TYR A 1 142 ? -17.348 -15.310 -12.279 1.00 14.31 ? 148 TYR B CE1 1 
ATOM   1232 C CE2 . TYR A 1 142 ? -17.625 -14.984 -14.621 1.00 14.36 ? 148 TYR B CE2 1 
ATOM   1233 C CZ  . TYR A 1 142 ? -17.104 -15.727 -13.576 1.00 14.96 ? 148 TYR B CZ  1 
ATOM   1234 O OH  . TYR A 1 142 ? -16.462 -16.937 -13.808 1.00 16.97 ? 148 TYR B OH  1 
ATOM   1235 N N   . ASN A 1 143 ? -21.585 -10.893 -10.804 1.00 14.15 ? 149 ASN B N   1 
ATOM   1236 C CA  . ASN A 1 143 ? -22.283 -9.729  -10.178 1.00 13.79 ? 149 ASN B CA  1 
ATOM   1237 C C   . ASN A 1 143 ? -21.254 -8.611  -10.007 1.00 14.02 ? 149 ASN B C   1 
ATOM   1238 O O   . ASN A 1 143 ? -20.486 -8.628  -9.009  1.00 15.45 ? 149 ASN B O   1 
ATOM   1239 C CB  . ASN A 1 143 ? -22.942 -10.164 -8.879  1.00 13.76 ? 149 ASN B CB  1 
ATOM   1240 C CG  . ASN A 1 143 ? -23.740 -9.067  -8.195  1.00 13.45 ? 149 ASN B CG  1 
ATOM   1241 O OD1 . ASN A 1 143 ? -23.555 -7.904  -8.542  1.00 15.37 ? 149 ASN B OD1 1 
ATOM   1242 N ND2 . ASN A 1 143 ? -24.614 -9.466  -7.315  1.00 14.45 ? 149 ASN B ND2 1 
ATOM   1243 N N   . ILE A 1 144 ? -21.198 -7.620  -10.884 1.00 15.17 ? 150 ILE B N   1 
ATOM   1244 C CA  . ILE A 1 144 ? -20.121 -6.601  -10.854 1.00 15.99 ? 150 ILE B CA  1 
ATOM   1245 C C   . ILE A 1 144 ? -20.378 -5.704  -9.626  1.00 16.94 ? 150 ILE B C   1 
ATOM   1246 O O   . ILE A 1 144 ? -19.381 -5.254  -9.006  1.00 19.14 ? 150 ILE B O   1 
ATOM   1247 C CB  . ILE A 1 144 ? -20.100 -5.812  -12.166 1.00 17.53 ? 150 ILE B CB  1 
ATOM   1248 C CG1 . ILE A 1 144 ? -19.904 -6.723  -13.387 1.00 17.60 ? 150 ILE B CG1 1 
ATOM   1249 C CG2 . ILE A 1 144 ? -19.086 -4.674  -12.120 1.00 19.74 ? 150 ILE B CG2 1 
ATOM   1250 C CD1 . ILE A 1 144 ? -18.839 -7.781  -13.208 1.00 22.10 ? 150 ILE B CD1 1 
ATOM   1251 N N   . THR A 1 145 ? -21.625 -5.515  -9.238  1.00 16.89 ? 151 THR B N   1 
ATOM   1252 C CA  . THR A 1 145 ? -21.995 -4.654  -8.069  1.00 17.35 ? 151 THR B CA  1 
ATOM   1253 C C   . THR A 1 145 ? -21.449 -5.280  -6.779  1.00 20.62 ? 151 THR B C   1 
ATOM   1254 O O   . THR A 1 145 ? -21.025 -4.512  -5.887  1.00 24.56 ? 151 THR B O   1 
ATOM   1255 C CB  . THR A 1 145 ? -23.524 -4.503  -7.998  1.00 17.23 ? 151 THR B CB  1 
ATOM   1256 O OG1 . THR A 1 145 ? -23.957 -4.063  -9.284  1.00 17.78 ? 151 THR B OG1 1 
ATOM   1257 C CG2 . THR A 1 145 ? -23.931 -3.471  -6.961  1.00 18.22 ? 151 THR B CG2 1 
ATOM   1258 N N   . ASP A 1 146 ? -21.368 -6.602  -6.695  1.00 19.18 ? 152 ASP B N   1 
ATOM   1259 C CA  . ASP A 1 146 ? -20.846 -7.370  -5.526  1.00 18.96 ? 152 ASP B CA  1 
ATOM   1260 C C   . ASP A 1 146 ? -19.431 -7.906  -5.803  1.00 19.56 ? 152 ASP B C   1 
ATOM   1261 O O   . ASP A 1 146 ? -19.237 -9.107  -5.615  1.00 20.46 ? 152 ASP B O   1 
ATOM   1262 C CB  . ASP A 1 146 ? -21.873 -8.398  -5.123  1.00 18.55 ? 152 ASP B CB  1 
ATOM   1263 C CG  . ASP A 1 146 ? -21.505 -9.206  -3.895  1.00 23.78 ? 152 ASP B CG  1 
ATOM   1264 O OD1 . ASP A 1 146 ? -21.035 -8.581  -2.937  1.00 24.70 ? 152 ASP B OD1 1 
ATOM   1265 O OD2 . ASP A 1 146 ? -21.685 -10.442 -3.926  1.00 22.50 ? 152 ASP B OD2 1 
ATOM   1266 N N   . HIS A 1 147 ? -18.509 -7.058  -6.242  1.00 21.86 ? 153 HIS B N   1 
ATOM   1267 C CA  . HIS A 1 147 ? -17.056 -7.361  -6.337  1.00 25.66 ? 153 HIS B CA  1 
ATOM   1268 C C   . HIS A 1 147 ? -16.858 -8.559  -7.278  1.00 25.65 ? 153 HIS B C   1 
ATOM   1269 O O   . HIS A 1 147 ? -15.914 -9.314  -7.117  1.00 26.90 ? 153 HIS B O   1 
ATOM   1270 C CB  . HIS A 1 147 ? -16.434 -7.721  -4.976  1.00 30.49 ? 153 HIS B CB  1 
ATOM   1271 C CG  . HIS A 1 147 ? -16.725 -6.813  -3.818  1.00 41.04 ? 153 HIS B CG  1 
ATOM   1272 N ND1 . HIS A 1 147 ? -16.120 -5.574  -3.671  1.00 50.36 ? 153 HIS B ND1 1 
ATOM   1273 C CD2 . HIS A 1 147 ? -17.483 -7.000  -2.711  1.00 46.97 ? 153 HIS B CD2 1 
ATOM   1274 C CE1 . HIS A 1 147 ? -16.533 -5.016  -2.546  1.00 52.09 ? 153 HIS B CE1 1 
ATOM   1275 N NE2 . HIS A 1 147 ? -17.372 -5.874  -1.934  1.00 50.20 ? 153 HIS B NE2 1 
ATOM   1276 N N   . GLY A 1 148 ? -17.747 -8.755  -8.244  1.00 19.85 ? 154 GLY B N   1 
ATOM   1277 C CA  . GLY A 1 148 ? -17.525 -9.803  -9.262  1.00 17.88 ? 154 GLY B CA  1 
ATOM   1278 C C   . GLY A 1 148 ? -17.952 -11.185 -8.822  1.00 15.84 ? 154 GLY B C   1 
ATOM   1279 O O   . GLY A 1 148 ? -17.430 -12.105 -9.419  1.00 16.48 ? 154 GLY B O   1 
ATOM   1280 N N   . SER A 1 149 ? -18.773 -11.335 -7.814  1.00 15.05 ? 155 SER B N   1 
ATOM   1281 C CA  . SER A 1 149 ? -19.144 -12.647 -7.250  1.00 14.18 ? 155 SER B CA  1 
ATOM   1282 C C   . SER A 1 149 ? -19.821 -13.497 -8.326  1.00 14.58 ? 155 SER B C   1 
ATOM   1283 O O   . SER A 1 149 ? -20.627 -12.971 -9.152  1.00 14.80 ? 155 SER B O   1 
ATOM   1284 C CB  . SER A 1 149 ? -19.992 -12.525 -6.019  1.00 15.12 ? 155 SER B CB  1 
ATOM   1285 O OG  . SER A 1 149 ? -21.202 -11.802 -6.211  1.00 16.29 ? 155 SER B OG  1 
ATOM   1286 N N   . LEU A 1 150 ? -19.624 -14.790 -8.307  1.00 13.49 ? 156 LEU B N   1 
ATOM   1287 C CA  . LEU A 1 150 ? -20.290 -15.682 -9.297  1.00 12.15 ? 156 LEU B CA  1 
ATOM   1288 C C   . LEU A 1 150 ? -21.783 -15.738 -9.054  1.00 11.72 ? 156 LEU B C   1 
ATOM   1289 O O   . LEU A 1 150 ? -22.296 -15.940 -7.922  1.00 12.87 ? 156 LEU B O   1 
ATOM   1290 C CB  . LEU A 1 150 ? -19.688 -17.089 -9.162  1.00 12.48 ? 156 LEU B CB  1 
ATOM   1291 C CG  . LEU A 1 150 ? -20.261 -18.159 -10.100 1.00 12.44 ? 156 LEU B CG  1 
ATOM   1292 C CD1 . LEU A 1 150 ? -19.875 -17.909 -11.539 1.00 13.10 ? 156 LEU B CD1 1 
ATOM   1293 C CD2 . LEU A 1 150 ? -19.692 -19.550 -9.692  1.00 13.65 ? 156 LEU B CD2 1 
ATOM   1294 N N   . ILE A 1 151 ? -22.553 -15.617 -10.147 1.00 11.40 ? 157 ILE B N   1 
ATOM   1295 C CA  . ILE A 1 151 ? -23.996 -15.830 -10.184 1.00 11.74 ? 157 ILE B CA  1 
ATOM   1296 C C   . ILE A 1 151 ? -24.336 -17.247 -10.644 1.00 10.37 ? 157 ILE B C   1 
ATOM   1297 O O   . ILE A 1 151 ? -25.150 -17.934 -10.045 1.00 11.02 ? 157 ILE B O   1 
ATOM   1298 C CB  . ILE A 1 151 ? -24.661 -14.750 -11.081 1.00 11.82 ? 157 ILE B CB  1 
ATOM   1299 C CG1 . ILE A 1 151 ? -24.506 -13.358 -10.497 1.00 12.30 ? 157 ILE B CG1 1 
ATOM   1300 C CG2 . ILE A 1 151 ? -26.140 -15.066 -11.272 1.00 11.98 ? 157 ILE B CG2 1 
ATOM   1301 C CD1 . ILE A 1 151 ? -24.932 -12.255 -11.439 1.00 13.23 ? 157 ILE B CD1 1 
ATOM   1302 N N   . TYR A 1 152 ? -23.770 -17.660 -11.791 1.00 10.65 ? 158 TYR B N   1 
ATOM   1303 C CA  . TYR A 1 152 ? -24.162 -18.963 -12.373 1.00 10.16 ? 158 TYR B CA  1 
ATOM   1304 C C   . TYR A 1 152 ? -23.129 -19.357 -13.434 1.00 10.39 ? 158 TYR B C   1 
ATOM   1305 O O   . TYR A 1 152 ? -22.649 -18.496 -14.160 1.00 11.01 ? 158 TYR B O   1 
ATOM   1306 C CB  . TYR A 1 152 ? -25.547 -18.906 -13.084 1.00 10.53 ? 158 TYR B CB  1 
ATOM   1307 C CG  . TYR A 1 152 ? -26.091 -20.252 -13.416 1.00 10.24 ? 158 TYR B CG  1 
ATOM   1308 C CD1 . TYR A 1 152 ? -26.714 -21.041 -12.453 1.00 11.26 ? 158 TYR B CD1 1 
ATOM   1309 C CD2 . TYR A 1 152 ? -25.968 -20.781 -14.698 1.00 10.12 ? 158 TYR B CD2 1 
ATOM   1310 C CE1 . TYR A 1 152 ? -27.141 -22.316 -12.751 1.00 12.33 ? 158 TYR B CE1 1 
ATOM   1311 C CE2 . TYR A 1 152 ? -26.407 -22.054 -14.983 1.00 11.15 ? 158 TYR B CE2 1 
ATOM   1312 C CZ  . TYR A 1 152 ? -26.987 -22.835 -14.014 1.00 11.89 ? 158 TYR B CZ  1 
ATOM   1313 O OH  . TYR A 1 152 ? -27.383 -24.124 -14.256 1.00 14.27 ? 158 TYR B OH  1 
ATOM   1314 N N   . THR A 1 153 ? -22.856 -20.664 -13.525 1.00 10.86 ? 159 THR B N   1 
ATOM   1315 C CA  . THR A 1 153 ? -22.006 -21.284 -14.574 1.00 11.02 ? 159 THR B CA  1 
ATOM   1316 C C   . THR A 1 153 ? -22.781 -22.395 -15.251 1.00 10.96 ? 159 THR B C   1 
ATOM   1317 O O   . THR A 1 153 ? -23.174 -23.388 -14.625 1.00 11.65 ? 159 THR B O   1 
ATOM   1318 C CB  . THR A 1 153 ? -20.677 -21.824 -14.009 1.00 11.80 ? 159 THR B CB  1 
ATOM   1319 O OG1 . THR A 1 153 ? -19.898 -20.703 -13.610 1.00 11.77 ? 159 THR B OG1 1 
ATOM   1320 C CG2 . THR A 1 153 ? -19.920 -22.643 -15.041 1.00 12.83 ? 159 THR B CG2 1 
ATOM   1321 N N   . PHE A 1 154 ? -23.017 -22.231 -16.561 1.00 10.97 ? 160 PHE B N   1 
ATOM   1322 C CA  . PHE A 1 154 ? -23.396 -23.340 -17.477 1.00 11.02 ? 160 PHE B CA  1 
ATOM   1323 C C   . PHE A 1 154 ? -22.091 -24.028 -17.909 1.00 11.25 ? 160 PHE B C   1 
ATOM   1324 O O   . PHE A 1 154 ? -21.236 -23.381 -18.490 1.00 11.54 ? 160 PHE B O   1 
ATOM   1325 C CB  . PHE A 1 154 ? -24.070 -22.810 -18.736 1.00 11.40 ? 160 PHE B CB  1 
ATOM   1326 C CG  . PHE A 1 154 ? -25.443 -22.204 -18.560 1.00 10.15 ? 160 PHE B CG  1 
ATOM   1327 C CD1 . PHE A 1 154 ? -25.616 -20.845 -18.317 1.00 9.63  ? 160 PHE B CD1 1 
ATOM   1328 C CD2 . PHE A 1 154 ? -26.570 -22.969 -18.777 1.00 11.00 ? 160 PHE B CD2 1 
ATOM   1329 C CE1 . PHE A 1 154 ? -26.890 -20.313 -18.239 1.00 10.45 ? 160 PHE B CE1 1 
ATOM   1330 C CE2 . PHE A 1 154 ? -27.852 -22.424 -18.690 1.00 11.35 ? 160 PHE B CE2 1 
ATOM   1331 C CZ  . PHE A 1 154 ? -27.987 -21.074 -18.453 1.00 9.76  ? 160 PHE B CZ  1 
ATOM   1332 N N   . SER A 1 155 ? -21.989 -25.322 -17.613 1.00 12.10 ? 161 SER B N   1 
ATOM   1333 C CA  . SER A 1 155 ? -20.849 -26.109 -18.090 1.00 13.25 ? 161 SER B CA  1 
ATOM   1334 C C   . SER A 1 155 ? -21.347 -27.280 -18.925 1.00 12.90 ? 161 SER B C   1 
ATOM   1335 O O   . SER A 1 155 ? -22.553 -27.535 -19.014 1.00 14.74 ? 161 SER B O   1 
ATOM   1336 C CB  . SER A 1 155 ? -20.025 -26.510 -16.908 1.00 15.09 ? 161 SER B CB  1 
ATOM   1337 O OG  . SER A 1 155 ? -20.661 -27.489 -16.152 1.00 18.01 ? 161 SER B OG  1 
ATOM   1338 N N   . GLU A 1 156 ? -20.397 -27.921 -19.621 1.00 15.20 ? 162 GLU B N   1 
ATOM   1339 C CA  . GLU A 1 156 ? -20.752 -29.006 -20.584 1.00 17.21 ? 162 GLU B CA  1 
ATOM   1340 C C   . GLU A 1 156 ? -21.698 -28.468 -21.653 1.00 15.83 ? 162 GLU B C   1 
ATOM   1341 O O   . GLU A 1 156 ? -22.592 -29.210 -22.140 1.00 17.02 ? 162 GLU B O   1 
ATOM   1342 C CB  . GLU A 1 156 ? -21.422 -30.193 -19.894 1.00 20.59 ? 162 GLU B CB  1 
ATOM   1343 C CG  . GLU A 1 156 ? -20.739 -30.708 -18.652 1.00 26.53 ? 162 GLU B CG  1 
ATOM   1344 C CD  . GLU A 1 156 ? -21.450 -31.981 -18.242 1.00 37.23 ? 162 GLU B CD  1 
ATOM   1345 O OE1 . GLU A 1 156 ? -22.475 -31.891 -17.523 1.00 39.04 ? 162 GLU B OE1 1 
ATOM   1346 O OE2 . GLU A 1 156 ? -21.067 -33.041 -18.772 1.00 42.33 ? 162 GLU B OE2 1 
ATOM   1347 N N   . CYS A 1 157 ? -21.499 -27.209 -22.047 1.00 14.22 ? 163 CYS B N   1 
ATOM   1348 C CA  . CYS A 1 157 ? -22.388 -26.576 -23.043 1.00 12.90 ? 163 CYS B CA  1 
ATOM   1349 C C   . CYS A 1 157 ? -22.149 -27.226 -24.420 1.00 14.27 ? 163 CYS B C   1 
ATOM   1350 O O   . CYS A 1 157 ? -20.961 -27.444 -24.772 1.00 15.76 ? 163 CYS B O   1 
ATOM   1351 C CB  . CYS A 1 157 ? -22.203 -25.068 -23.191 1.00 12.44 ? 163 CYS B CB  1 
ATOM   1352 S SG  . CYS A 1 157 ? -22.607 -24.134 -21.696 1.00 13.25 ? 163 CYS B SG  1 
ATOM   1353 N N   . VAL A 1 158 ? -23.213 -27.451 -25.167 1.00 13.31 ? 164 VAL B N   1 
ATOM   1354 C CA  . VAL A 1 158 ? -23.082 -27.986 -26.550 1.00 14.67 ? 164 VAL B CA  1 
ATOM   1355 C C   . VAL A 1 158 ? -23.519 -26.837 -27.455 1.00 13.54 ? 164 VAL B C   1 
ATOM   1356 O O   . VAL A 1 158 ? -24.689 -26.751 -27.850 1.00 14.94 ? 164 VAL B O   1 
ATOM   1357 C CB  . VAL A 1 158 ? -23.846 -29.322 -26.709 1.00 17.07 ? 164 VAL B CB  1 
ATOM   1358 C CG1 . VAL A 1 158 ? -23.676 -29.825 -28.146 1.00 17.66 ? 164 VAL B CG1 1 
ATOM   1359 C CG2 . VAL A 1 158 ? -23.315 -30.362 -25.714 1.00 17.84 ? 164 VAL B CG2 1 
ATOM   1360 N N   . PHE A 1 159 ? -22.626 -25.907 -27.794 1.00 12.72 ? 165 PHE B N   1 
ATOM   1361 C CA  . PHE A 1 159 ? -22.958 -24.683 -28.551 1.00 13.63 ? 165 PHE B CA  1 
ATOM   1362 C C   . PHE A 1 159 ? -23.542 -25.071 -29.907 1.00 14.39 ? 165 PHE B C   1 
ATOM   1363 O O   . PHE A 1 159 ? -24.544 -24.486 -30.354 1.00 14.75 ? 165 PHE B O   1 
ATOM   1364 C CB  . PHE A 1 159 ? -21.787 -23.719 -28.572 1.00 13.21 ? 165 PHE B CB  1 
ATOM   1365 C CG  . PHE A 1 159 ? -21.350 -23.212 -27.213 1.00 12.06 ? 165 PHE B CG  1 
ATOM   1366 C CD1 . PHE A 1 159 ? -22.298 -22.737 -26.303 1.00 12.63 ? 165 PHE B CD1 1 
ATOM   1367 C CD2 . PHE A 1 159 ? -20.016 -23.230 -26.822 1.00 13.80 ? 165 PHE B CD2 1 
ATOM   1368 C CE1 . PHE A 1 159 ? -21.887 -22.265 -25.058 1.00 13.41 ? 165 PHE B CE1 1 
ATOM   1369 C CE2 . PHE A 1 159 ? -19.605 -22.728 -25.599 1.00 14.06 ? 165 PHE B CE2 1 
ATOM   1370 C CZ  . PHE A 1 159 ? -20.551 -22.247 -24.720 1.00 12.60 ? 165 PHE B CZ  1 
ATOM   1371 N N   . ALA A 1 160 ? -22.837 -25.937 -30.645 1.00 13.38 ? 166 ALA B N   1 
ATOM   1372 C CA  . ALA A 1 160 ? -23.304 -26.529 -31.921 1.00 14.41 ? 166 ALA B CA  1 
ATOM   1373 C C   . ALA A 1 160 ? -23.431 -25.456 -33.009 1.00 13.90 ? 166 ALA B C   1 
ATOM   1374 O O   . ALA A 1 160 ? -24.247 -25.659 -33.967 1.00 14.75 ? 166 ALA B O   1 
ATOM   1375 C CB  . ALA A 1 160 ? -24.553 -27.305 -31.744 1.00 14.77 ? 166 ALA B CB  1 
ATOM   1376 N N   . GLY A 1 161 ? -22.668 -24.391 -32.914 1.00 14.24 ? 167 GLY B N   1 
ATOM   1377 C CA  . GLY A 1 161 ? -22.652 -23.311 -33.906 1.00 15.07 ? 167 GLY B CA  1 
ATOM   1378 C C   . GLY A 1 161 ? -21.962 -22.069 -33.407 1.00 13.60 ? 167 GLY B C   1 
ATOM   1379 O O   . GLY A 1 161 ? -21.544 -22.014 -32.233 1.00 14.17 ? 167 GLY B O   1 
ATOM   1380 N N   . PRO A 1 162 ? -21.849 -21.042 -34.237 1.00 12.55 ? 168 PRO B N   1 
ATOM   1381 C CA  . PRO A 1 162 ? -21.369 -19.743 -33.804 1.00 12.20 ? 168 PRO B CA  1 
ATOM   1382 C C   . PRO A 1 162 ? -22.317 -19.168 -32.739 1.00 12.67 ? 168 PRO B C   1 
ATOM   1383 O O   . PRO A 1 162 ? -23.520 -19.403 -32.795 1.00 13.26 ? 168 PRO B O   1 
ATOM   1384 C CB  . PRO A 1 162 ? -21.343 -18.844 -35.031 1.00 12.78 ? 168 PRO B CB  1 
ATOM   1385 C CG  . PRO A 1 162 ? -21.516 -19.840 -36.192 1.00 12.81 ? 168 PRO B CG  1 
ATOM   1386 C CD  . PRO A 1 162 ? -22.251 -21.011 -35.659 1.00 12.65 ? 168 PRO B CD  1 
ATOM   1387 N N   . LEU A 1 163 ? -21.732 -18.435 -31.810 1.00 12.55 ? 169 LEU B N   1 
ATOM   1388 C CA  . LEU A 1 163 ? -22.517 -17.785 -30.710 1.00 11.07 ? 169 LEU B CA  1 
ATOM   1389 C C   . LEU A 1 163 ? -22.630 -16.292 -30.977 1.00 12.51 ? 169 LEU B C   1 
ATOM   1390 O O   . LEU A 1 163 ? -21.693 -15.656 -31.427 1.00 12.95 ? 169 LEU B O   1 
ATOM   1391 C CB  . LEU A 1 163 ? -21.826 -18.029 -29.361 1.00 12.04 ? 169 LEU B CB  1 
ATOM   1392 C CG  . LEU A 1 163 ? -21.881 -19.446 -28.797 1.00 13.13 ? 169 LEU B CG  1 
ATOM   1393 C CD1 . LEU A 1 163 ? -21.029 -19.486 -27.553 1.00 13.79 ? 169 LEU B CD1 1 
ATOM   1394 C CD2 . LEU A 1 163 ? -23.313 -19.908 -28.539 1.00 13.96 ? 169 LEU B CD2 1 
ATOM   1395 N N   . ARG A 1 164 ? -23.765 -15.722 -30.563 1.00 11.92 ? 170 ARG B N   1 
ATOM   1396 C CA  . ARG A 1 164 ? -23.970 -14.269 -30.557 1.00 11.47 ? 170 ARG B CA  1 
ATOM   1397 C C   . ARG A 1 164 ? -24.390 -13.776 -29.170 1.00 10.20 ? 170 ARG B C   1 
ATOM   1398 O O   . ARG A 1 164 ? -25.158 -14.456 -28.471 1.00 11.04 ? 170 ARG B O   1 
ATOM   1399 C CB  . ARG A 1 164 ? -25.036 -13.905 -31.593 1.00 12.41 ? 170 ARG B CB  1 
ATOM   1400 C CG  . ARG A 1 164 ? -24.559 -14.281 -33.005 1.00 14.73 ? 170 ARG B CG  1 
ATOM   1401 C CD  . ARG A 1 164 ? -25.483 -13.876 -34.115 1.00 16.22 ? 170 ARG B CD  1 
ATOM   1402 N NE  . ARG A 1 164 ? -25.518 -12.439 -34.212 1.00 16.26 ? 170 ARG B NE  1 
ATOM   1403 C CZ  . ARG A 1 164 ? -26.220 -11.811 -35.142 1.00 16.49 ? 170 ARG B CZ  1 
ATOM   1404 N NH1 . ARG A 1 164 ? -26.834 -12.518 -36.062 1.00 17.51 ? 170 ARG B NH1 1 
ATOM   1405 N NH2 . ARG A 1 164 ? -26.261 -10.503 -35.142 1.00 15.40 ? 170 ARG B NH2 1 
ATOM   1406 N N   . PRO A 1 165 ? -23.930 -12.582 -28.742 1.00 10.34 ? 171 PRO B N   1 
ATOM   1407 C CA  . PRO A 1 165 ? -24.486 -11.976 -27.522 1.00 9.84  ? 171 PRO B CA  1 
ATOM   1408 C C   . PRO A 1 165 ? -26.001 -11.803 -27.672 1.00 9.64  ? 171 PRO B C   1 
ATOM   1409 O O   . PRO A 1 165 ? -26.496 -11.467 -28.730 1.00 10.66 ? 171 PRO B O   1 
ATOM   1410 C CB  . PRO A 1 165 ? -23.784 -10.627 -27.404 1.00 10.46 ? 171 PRO B CB  1 
ATOM   1411 C CG  . PRO A 1 165 ? -22.503 -10.795 -28.249 1.00 11.52 ? 171 PRO B CG  1 
ATOM   1412 C CD  . PRO A 1 165 ? -22.939 -11.707 -29.375 1.00 12.11 ? 171 PRO B CD  1 
ATOM   1413 N N   . PHE A 1 166 ? -26.736 -12.095 -26.586 1.00 9.64  ? 172 PHE B N   1 
ATOM   1414 C CA  . PHE A 1 166 ? -28.209 -12.107 -26.570 1.00 9.89  ? 172 PHE B CA  1 
ATOM   1415 C C   . PHE A 1 166 ? -28.746 -11.158 -25.483 1.00 9.34  ? 172 PHE B C   1 
ATOM   1416 O O   . PHE A 1 166 ? -28.236 -11.157 -24.348 1.00 9.39  ? 172 PHE B O   1 
ATOM   1417 C CB  . PHE A 1 166 ? -28.696 -13.530 -26.313 1.00 10.45 ? 172 PHE B CB  1 
ATOM   1418 C CG  . PHE A 1 166 ? -30.198 -13.614 -26.134 1.00 10.60 ? 172 PHE B CG  1 
ATOM   1419 C CD1 . PHE A 1 166 ? -31.047 -13.618 -27.233 1.00 11.20 ? 172 PHE B CD1 1 
ATOM   1420 C CD2 . PHE A 1 166 ? -30.767 -13.653 -24.867 1.00 11.79 ? 172 PHE B CD2 1 
ATOM   1421 C CE1 . PHE A 1 166 ? -32.424 -13.703 -27.061 1.00 11.28 ? 172 PHE B CE1 1 
ATOM   1422 C CE2 . PHE A 1 166 ? -32.142 -13.685 -24.699 1.00 11.04 ? 172 PHE B CE2 1 
ATOM   1423 C CZ  . PHE A 1 166 ? -32.965 -13.734 -25.797 1.00 11.94 ? 172 PHE B CZ  1 
ATOM   1424 N N   . PHE A 1 167 ? -29.806 -10.420 -25.835 1.00 9.38  ? 173 PHE B N   1 
ATOM   1425 C CA  . PHE A 1 167 ? -30.392 -9.400  -24.946 1.00 9.19  ? 173 PHE B CA  1 
ATOM   1426 C C   . PHE A 1 167 ? -31.910 -9.463  -25.044 1.00 9.70  ? 173 PHE B C   1 
ATOM   1427 O O   . PHE A 1 167 ? -32.448 -9.530  -26.158 1.00 10.50 ? 173 PHE B O   1 
ATOM   1428 C CB  . PHE A 1 167 ? -29.953 -7.977  -25.319 1.00 10.02 ? 173 PHE B CB  1 
ATOM   1429 C CG  . PHE A 1 167 ? -28.447 -7.817  -25.433 1.00 9.96  ? 173 PHE B CG  1 
ATOM   1430 C CD1 . PHE A 1 167 ? -27.769 -8.132  -26.604 1.00 10.24 ? 173 PHE B CD1 1 
ATOM   1431 C CD2 . PHE A 1 167 ? -27.668 -7.352  -24.384 1.00 11.79 ? 173 PHE B CD2 1 
ATOM   1432 C CE1 . PHE A 1 167 ? -26.378 -8.075  -26.702 1.00 10.32 ? 173 PHE B CE1 1 
ATOM   1433 C CE2 . PHE A 1 167 ? -26.300 -7.231  -24.492 1.00 11.82 ? 173 PHE B CE2 1 
ATOM   1434 C CZ  . PHE A 1 167 ? -25.650 -7.587  -25.656 1.00 11.96 ? 173 PHE B CZ  1 
ATOM   1435 N N   . ASN A 1 168 ? -32.595 -9.270  -23.920 1.00 10.20 ? 174 ASN B N   1 
ATOM   1436 C CA  . ASN A 1 168 ? -34.063 -9.032  -23.895 1.00 9.51  ? 174 ASN B CA  1 
ATOM   1437 C C   . ASN A 1 168 ? -34.282 -7.889  -22.909 1.00 10.43 ? 174 ASN B C   1 
ATOM   1438 O O   . ASN A 1 168 ? -33.965 -8.039  -21.729 1.00 11.13 ? 174 ASN B O   1 
ATOM   1439 C CB  . ASN A 1 168 ? -34.849 -10.280 -23.491 1.00 10.40 ? 174 ASN B CB  1 
ATOM   1440 C CG  . ASN A 1 168 ? -36.347 -10.088 -23.570 1.00 12.64 ? 174 ASN B CG  1 
ATOM   1441 O OD1 . ASN A 1 168 ? -36.836 -9.015  -23.871 1.00 12.75 ? 174 ASN B OD1 1 
ATOM   1442 N ND2 . ASN A 1 168 ? -37.062 -11.173 -23.363 1.00 14.12 ? 174 ASN B ND2 1 
ATOM   1443 N N   . VAL A 1 169 ? -34.809 -6.749  -23.395 1.00 10.07 ? 175 VAL B N   1 
ATOM   1444 C CA  . VAL A 1 169 ? -35.066 -5.591  -22.492 1.00 10.36 ? 175 VAL B CA  1 
ATOM   1445 C C   . VAL A 1 169 ? -36.318 -5.825  -21.639 1.00 11.09 ? 175 VAL B C   1 
ATOM   1446 O O   . VAL A 1 169 ? -36.574 -4.990  -20.739 1.00 11.66 ? 175 VAL B O   1 
ATOM   1447 C CB  . VAL A 1 169 ? -35.165 -4.245  -23.246 1.00 11.54 ? 175 VAL B CB  1 
ATOM   1448 C CG1 . VAL A 1 169 ? -33.867 -3.904  -23.936 1.00 13.12 ? 175 VAL B CG1 1 
ATOM   1449 C CG2 . VAL A 1 169 ? -36.314 -4.212  -24.234 1.00 11.62 ? 175 VAL B CG2 1 
ATOM   1450 N N   . GLY A 1 170 ? -37.126 -6.835  -21.988 1.00 11.17 ? 176 GLY B N   1 
ATOM   1451 C CA  . GLY A 1 170 ? -38.414 -7.060  -21.280 1.00 11.58 ? 176 GLY B CA  1 
ATOM   1452 C C   . GLY A 1 170 ? -39.518 -6.137  -21.731 1.00 11.97 ? 176 GLY B C   1 
ATOM   1453 O O   . GLY A 1 170 ? -39.299 -5.095  -22.317 1.00 11.42 ? 176 GLY B O   1 
ATOM   1454 N N   . PHE A 1 171 ? -40.746 -6.592  -21.476 1.00 12.80 ? 177 PHE B N   1 
ATOM   1455 C CA  . PHE A 1 171 ? -41.946 -5.763  -21.682 1.00 12.05 ? 177 PHE B CA  1 
ATOM   1456 C C   . PHE A 1 171 ? -42.001 -4.673  -20.626 1.00 11.72 ? 177 PHE B C   1 
ATOM   1457 O O   . PHE A 1 171 ? -41.301 -4.724  -19.604 1.00 11.82 ? 177 PHE B O   1 
ATOM   1458 C CB  . PHE A 1 171 ? -43.224 -6.607  -21.732 1.00 12.97 ? 177 PHE B CB  1 
ATOM   1459 C CG  . PHE A 1 171 ? -43.339 -7.535  -22.914 1.00 14.08 ? 177 PHE B CG  1 
ATOM   1460 C CD1 . PHE A 1 171 ? -43.794 -7.098  -24.146 1.00 17.39 ? 177 PHE B CD1 1 
ATOM   1461 C CD2 . PHE A 1 171 ? -43.019 -8.863  -22.762 1.00 15.46 ? 177 PHE B CD2 1 
ATOM   1462 C CE1 . PHE A 1 171 ? -43.872 -7.988  -25.222 1.00 17.01 ? 177 PHE B CE1 1 
ATOM   1463 C CE2 . PHE A 1 171 ? -43.118 -9.741  -23.821 1.00 16.75 ? 177 PHE B CE2 1 
ATOM   1464 C CZ  . PHE A 1 171 ? -43.589 -9.309  -25.022 1.00 16.08 ? 177 PHE B CZ  1 
ATOM   1465 N N   . ASN A 1 172 ? -42.859 -3.711  -20.875 1.00 12.28 ? 178 ASN B N   1 
ATOM   1466 C CA  . ASN A 1 172 ? -43.065 -2.603  -19.908 1.00 11.00 ? 178 ASN B CA  1 
ATOM   1467 C C   . ASN A 1 172 ? -44.584 -2.440  -19.722 1.00 11.15 ? 178 ASN B C   1 
ATOM   1468 O O   . ASN A 1 172 ? -45.096 -1.301  -19.753 1.00 13.91 ? 178 ASN B O   1 
ATOM   1469 C CB  . ASN A 1 172 ? -42.397 -1.335  -20.382 1.00 12.10 ? 178 ASN B CB  1 
ATOM   1470 C CG  . ASN A 1 172 ? -42.429 -0.240  -19.340 1.00 12.68 ? 178 ASN B CG  1 
ATOM   1471 O OD1 . ASN A 1 172 ? -42.479 -0.480  -18.131 1.00 13.12 ? 178 ASN B OD1 1 
ATOM   1472 N ND2 . ASN A 1 172 ? -42.397 0.992   -19.823 1.00 14.48 ? 178 ASN B ND2 1 
ATOM   1473 N N   . TYR A 1 173 ? -45.268 -3.512  -19.380 1.00 12.58 ? 179 TYR B N   1 
ATOM   1474 C CA  . TYR A 1 173 ? -46.700 -3.442  -18.971 1.00 11.55 ? 179 TYR B CA  1 
ATOM   1475 C C   . TYR A 1 173 ? -46.851 -2.613  -17.701 1.00 13.24 ? 179 TYR B C   1 
ATOM   1476 O O   . TYR A 1 173 ? -47.928 -1.979  -17.485 1.00 14.45 ? 179 TYR B O   1 
ATOM   1477 C CB  . TYR A 1 173 ? -47.271 -4.848  -18.734 1.00 12.19 ? 179 TYR B CB  1 
ATOM   1478 C CG  . TYR A 1 173 ? -47.334 -5.725  -19.956 1.00 14.73 ? 179 TYR B CG  1 
ATOM   1479 C CD1 . TYR A 1 173 ? -48.296 -5.517  -20.923 1.00 17.76 ? 179 TYR B CD1 1 
ATOM   1480 C CD2 . TYR A 1 173 ? -46.487 -6.812  -20.092 1.00 16.84 ? 179 TYR B CD2 1 
ATOM   1481 C CE1 . TYR A 1 173 ? -48.352 -6.293  -22.078 1.00 19.17 ? 179 TYR B CE1 1 
ATOM   1482 C CE2 . TYR A 1 173 ? -46.526 -7.583  -21.255 1.00 17.46 ? 179 TYR B CE2 1 
ATOM   1483 C CZ  . TYR A 1 173 ? -47.473 -7.350  -22.221 1.00 19.30 ? 179 TYR B CZ  1 
ATOM   1484 O OH  . TYR A 1 173 ? -47.523 -8.167  -23.340 1.00 24.07 ? 179 TYR B OH  1 
ATOM   1485 N N   . SER A 1 174 ? -45.910 -2.629  -16.769 1.00 12.20 ? 180 SER B N   1 
ATOM   1486 C CA  . SER A 1 174 ? -46.007 -2.026  -15.418 1.00 13.25 ? 180 SER B CA  1 
ATOM   1487 C C   . SER A 1 174 ? -45.724 -0.520  -15.464 1.00 12.63 ? 180 SER B C   1 
ATOM   1488 O O   . SER A 1 174 ? -46.018 0.169   -14.454 1.00 14.49 ? 180 SER B O   1 
ATOM   1489 C CB  . SER A 1 174 ? -45.042 -2.642  -14.441 1.00 13.07 ? 180 SER B CB  1 
ATOM   1490 O OG  . SER A 1 174 ? -43.700 -2.407  -14.889 1.00 13.20 ? 180 SER B OG  1 
ATOM   1491 N N   . GLY A 1 175 ? -45.048 -0.029  -16.497 1.00 12.20 ? 181 GLY B N   1 
ATOM   1492 C CA  . GLY A 1 175 ? -44.517 1.344   -16.453 1.00 12.86 ? 181 GLY B CA  1 
ATOM   1493 C C   . GLY A 1 175 ? -43.269 1.480   -15.612 1.00 13.88 ? 181 GLY B C   1 
ATOM   1494 O O   . GLY A 1 175 ? -42.776 2.606   -15.478 1.00 15.91 ? 181 GLY B O   1 
ATOM   1495 N N   . GLY A 1 176 ? -42.759 0.398   -15.022 1.00 12.65 ? 182 GLY B N   1 
ATOM   1496 C CA  . GLY A 1 176 ? -41.549 0.432   -14.199 1.00 12.40 ? 182 GLY B CA  1 
ATOM   1497 C C   . GLY A 1 176 ? -40.331 -0.196  -14.888 1.00 13.09 ? 182 GLY B C   1 
ATOM   1498 O O   . GLY A 1 176 ? -39.287 -0.277  -14.210 1.00 14.13 ? 182 GLY B O   1 
ATOM   1499 N N   . ASN A 1 177 ? -40.447 -0.622  -16.138 1.00 11.14 ? 183 ASN B N   1 
ATOM   1500 C CA  . ASN A 1 177 ? -39.350 -1.324  -16.829 1.00 11.14 ? 183 ASN B CA  1 
ATOM   1501 C C   . ASN A 1 177 ? -38.899 -0.606  -18.106 1.00 11.41 ? 183 ASN B C   1 
ATOM   1502 O O   . ASN A 1 177 ? -38.356 -1.261  -18.995 1.00 12.26 ? 183 ASN B O   1 
ATOM   1503 C CB  . ASN A 1 177 ? -39.719 -2.763  -17.147 1.00 11.02 ? 183 ASN B CB  1 
ATOM   1504 C CG  . ASN A 1 177 ? -38.491 -3.608  -17.425 1.00 11.01 ? 183 ASN B CG  1 
ATOM   1505 O OD1 . ASN A 1 177 ? -37.450 -3.414  -16.804 1.00 11.32 ? 183 ASN B OD1 1 
ATOM   1506 N ND2 . ASN A 1 177 ? -38.661 -4.537  -18.350 1.00 11.25 ? 183 ASN B ND2 1 
ATOM   1507 N N   . ALA A 1 178 ? -38.991 0.710   -18.188 1.00 12.08 ? 184 ALA B N   1 
ATOM   1508 C CA  . ALA A 1 178 ? -38.607 1.448   -19.421 1.00 13.20 ? 184 ALA B CA  1 
ATOM   1509 C C   . ALA A 1 178 ? -37.091 1.576   -19.581 1.00 12.98 ? 184 ALA B C   1 
ATOM   1510 O O   . ALA A 1 178 ? -36.644 1.876   -20.712 1.00 15.07 ? 184 ALA B O   1 
ATOM   1511 C CB  . ALA A 1 178 ? -39.222 2.860   -19.411 1.00 13.58 ? 184 ALA B CB  1 
ATOM   1512 N N   . ALA A 1 179 ? -36.325 1.420   -18.518 1.00 12.66 ? 185 ALA B N   1 
ATOM   1513 C CA  . ALA A 1 179 ? -34.873 1.726   -18.557 1.00 12.89 ? 185 ALA B CA  1 
ATOM   1514 C C   . ALA A 1 179 ? -34.173 0.841   -19.592 1.00 12.57 ? 185 ALA B C   1 
ATOM   1515 O O   . ALA A 1 179 ? -34.545 -0.320  -19.840 1.00 11.79 ? 185 ALA B O   1 
ATOM   1516 C CB  . ALA A 1 179 ? -34.238 1.588   -17.199 1.00 13.18 ? 185 ALA B CB  1 
ATOM   1517 N N   . PRO A 1 180 ? -33.070 1.339   -20.179 1.00 12.33 ? 186 PRO B N   1 
ATOM   1518 C CA  . PRO A 1 180 ? -32.325 0.581   -21.186 1.00 12.08 ? 186 PRO B CA  1 
ATOM   1519 C C   . PRO A 1 180 ? -31.416 -0.527  -20.600 1.00 10.98 ? 186 PRO B C   1 
ATOM   1520 O O   . PRO A 1 180 ? -31.048 -0.473  -19.430 1.00 12.39 ? 186 PRO B O   1 
ATOM   1521 C CB  . PRO A 1 180 ? -31.447 1.664   -21.854 1.00 13.40 ? 186 PRO B CB  1 
ATOM   1522 C CG  . PRO A 1 180 ? -31.219 2.664   -20.789 1.00 15.13 ? 186 PRO B CG  1 
ATOM   1523 C CD  . PRO A 1 180 ? -32.533 2.697   -19.994 1.00 15.19 ? 186 PRO B CD  1 
ATOM   1524 N N   . LEU A 1 181 ? -31.023 -1.459  -21.466 1.00 11.46 ? 187 LEU B N   1 
ATOM   1525 C CA  . LEU A 1 181 ? -29.785 -2.241  -21.268 1.00 11.49 ? 187 LEU B CA  1 
ATOM   1526 C C   . LEU A 1 181 ? -28.653 -1.430  -21.907 1.00 11.21 ? 187 LEU B C   1 
ATOM   1527 O O   . LEU A 1 181 ? -28.829 -0.932  -23.039 1.00 14.17 ? 187 LEU B O   1 
ATOM   1528 C CB  . LEU A 1 181 ? -29.940 -3.603  -21.925 1.00 11.20 ? 187 LEU B CB  1 
ATOM   1529 C CG  . LEU A 1 181 ? -30.953 -4.569  -21.285 1.00 12.41 ? 187 LEU B CG  1 
ATOM   1530 C CD1 . LEU A 1 181 ? -31.109 -5.847  -22.088 1.00 13.22 ? 187 LEU B CD1 1 
ATOM   1531 C CD2 . LEU A 1 181 ? -30.583 -4.918  -19.855 1.00 14.47 ? 187 LEU B CD2 1 
ATOM   1532 N N   . LYS A 1 182 ? -27.505 -1.359  -21.245 1.00 11.79 ? 188 LYS B N   1 
ATOM   1533 C CA  . LYS A 1 182 ? -26.343 -0.615  -21.802 1.00 12.74 ? 188 LYS B CA  1 
ATOM   1534 C C   . LYS A 1 182 ? -25.104 -1.484  -21.757 1.00 13.29 ? 188 LYS B C   1 
ATOM   1535 O O   . LYS A 1 182 ? -24.781 -2.024  -20.676 1.00 13.61 ? 188 LYS B O   1 
ATOM   1536 C CB  . LYS A 1 182 ? -26.084 0.679   -21.032 1.00 15.19 ? 188 LYS B CB  1 
ATOM   1537 C CG  . LYS A 1 182 ? -27.258 1.617   -20.830 1.00 18.39 ? 188 LYS B CG  1 
ATOM   1538 C CD  . LYS A 1 182 ? -26.812 2.911   -20.139 1.00 22.81 ? 188 LYS B CD  1 
ATOM   1539 C CE  . LYS A 1 182 ? -27.930 3.848   -19.758 1.00 27.25 ? 188 LYS B CE  1 
ATOM   1540 N NZ  . LYS A 1 182 ? -27.369 4.989   -18.984 1.00 32.85 ? 188 LYS B NZ  1 
ATOM   1541 N N   . LEU A 1 183 ? -24.370 -1.560  -22.836 1.00 13.43 ? 189 LEU B N   1 
ATOM   1542 C CA  . LEU A 1 183 ? -23.028 -2.207  -22.830 1.00 13.60 ? 189 LEU B CA  1 
ATOM   1543 C C   . LEU A 1 183 ? -22.043 -1.263  -22.161 1.00 15.24 ? 189 LEU B C   1 
ATOM   1544 O O   . LEU A 1 183 ? -21.894 -0.110  -22.642 1.00 18.40 ? 189 LEU B O   1 
ATOM   1545 C CB  . LEU A 1 183 ? -22.657 -2.596  -24.263 1.00 14.33 ? 189 LEU B CB  1 
ATOM   1546 C CG  . LEU A 1 183 ? -23.389 -3.846  -24.732 1.00 15.82 ? 189 LEU B CG  1 
ATOM   1547 C CD1 . LEU A 1 183 ? -23.589 -3.919  -26.228 1.00 20.34 ? 189 LEU B CD1 1 
ATOM   1548 C CD2 . LEU A 1 183 ? -22.762 -5.124  -24.145 1.00 13.75 ? 189 LEU B CD2 1 
ATOM   1549 N N   . CYS A 1 184 ? -21.395 -1.723  -21.096 1.00 15.89 ? 190 CYS B N   1 
ATOM   1550 C CA  . CYS A 1 184 ? -20.493 -0.871  -20.262 1.00 18.64 ? 190 CYS B CA  1 
ATOM   1551 C C   . CYS A 1 184 ? -19.133 -0.777  -20.920 1.00 20.65 ? 190 CYS B C   1 
ATOM   1552 O O   . CYS A 1 184 ? -18.637 -1.719  -21.499 1.00 20.60 ? 190 CYS B O   1 
ATOM   1553 C CB  . CYS A 1 184 ? -20.194 -1.515  -18.925 1.00 20.28 ? 190 CYS B CB  1 
ATOM   1554 S SG  . CYS A 1 184 ? -21.634 -2.039  -18.013 1.00 21.40 ? 190 CYS B SG  1 
ATOM   1555 N N   . PRO A 1 185 ? -18.455 0.377   -20.773 1.00 25.77 ? 191 PRO B N   1 
ATOM   1556 C CA  . PRO A 1 185 ? -17.124 0.543   -21.320 1.00 30.62 ? 191 PRO B CA  1 
ATOM   1557 C C   . PRO A 1 185 ? -16.141 -0.412  -20.634 1.00 28.89 ? 191 PRO B C   1 
ATOM   1558 O O   . PRO A 1 185 ? -16.293 -0.692  -19.450 1.00 30.54 ? 191 PRO B O   1 
ATOM   1559 C CB  . PRO A 1 185 ? -16.843 2.041   -21.061 1.00 29.87 ? 191 PRO B CB  1 
ATOM   1560 C CG  . PRO A 1 185 ? -17.747 2.441   -19.923 1.00 31.27 ? 191 PRO B CG  1 
ATOM   1561 C CD  . PRO A 1 185 ? -18.969 1.566   -20.072 1.00 27.59 ? 191 PRO B CD  1 
ATOM   1562 N N   . LEU A 1 186 ? -15.180 -0.858  -21.442 1.00 34.23 ? 192 LEU B N   1 
ATOM   1563 C CA  . LEU A 1 186 ? -13.936 -1.606  -21.128 1.00 38.47 ? 192 LEU B CA  1 
ATOM   1564 C C   . LEU A 1 186 ? -13.010 -0.763  -20.248 1.00 41.36 ? 192 LEU B C   1 
ATOM   1565 O O   . LEU A 1 186 ? -12.342 -1.335  -19.372 1.00 48.48 ? 192 LEU B O   1 
ATOM   1566 C CB  . LEU A 1 186 ? -13.249 -1.911  -22.465 1.00 38.41 ? 192 LEU B CB  1 
HETATM 1567 C C1  . EDO B 2 .   ? -45.613 -3.543  -22.957 1.00 29.89 ? 201 EDO B C1  1 
HETATM 1568 O O1  . EDO B 2 .   ? -44.300 -3.144  -23.259 1.00 22.63 ? 201 EDO B O1  1 
HETATM 1569 C C2  . EDO B 2 .   ? -46.497 -3.875  -24.096 1.00 37.98 ? 201 EDO B C2  1 
HETATM 1570 O O2  . EDO B 2 .   ? -46.125 -3.209  -25.290 1.00 47.18 ? 201 EDO B O2  1 
HETATM 1571 N N1  . LQP C 3 .   ? -27.246 -28.928 -23.526 0.52 23.89 ? 202 LQP B N1  1 
HETATM 1572 C C4  . LQP C 3 .   ? -27.660 -28.825 -24.932 0.52 21.68 ? 202 LQP B C4  1 
HETATM 1573 C C5  . LQP C 3 .   ? -29.123 -29.269 -24.902 0.52 23.99 ? 202 LQP B C5  1 
HETATM 1574 C C6  . LQP C 3 .   ? -29.513 -30.266 -26.005 0.52 23.94 ? 202 LQP B C6  1 
HETATM 1575 C C7  . LQP C 3 .   ? -29.308 -31.623 -25.379 0.52 25.09 ? 202 LQP B C7  1 
HETATM 1576 C C8  . LQP C 3 .   ? -29.803 -31.451 -23.969 0.52 25.04 ? 202 LQP B C8  1 
HETATM 1577 C C10 . LQP C 3 .   ? -27.956 -30.043 -22.885 0.52 24.93 ? 202 LQP B C10 1 
HETATM 1578 F F1  . LQP C 3 .   ? -26.077 -25.848 -20.931 0.52 25.52 ? 202 LQP B F1  1 
HETATM 1579 C C1  . LQP C 3 .   ? -25.130 -26.518 -20.327 0.52 23.75 ? 202 LQP B C1  1 
HETATM 1580 F F2  . LQP C 3 .   ? -25.579 -26.712 -19.100 0.52 23.84 ? 202 LQP B F2  1 
HETATM 1581 O O1  . LQP C 3 .   ? -24.920 -27.753 -20.985 0.52 23.85 ? 202 LQP B O1  1 
HETATM 1582 C C2  . LQP C 3 .   ? -26.097 -28.401 -21.437 0.52 22.87 ? 202 LQP B C2  1 
HETATM 1583 C C3  . LQP C 3 .   ? -26.339 -28.154 -22.903 0.52 23.05 ? 202 LQP B C3  1 
HETATM 1584 O O2  . LQP C 3 .   ? -25.722 -27.286 -23.516 0.52 20.82 ? 202 LQP B O2  1 
HETATM 1585 C C9  . LQP C 3 .   ? -29.319 -30.045 -23.567 0.52 24.53 ? 202 LQP B C9  1 
HETATM 1586 N N1  . EPE D 4 .   ? -38.466 -15.683 -19.968 1.00 43.22 ? 203 EPE B N1  1 
HETATM 1587 C C2  . EPE D 4 .   ? -38.984 -14.591 -20.811 1.00 41.74 ? 203 EPE B C2  1 
HETATM 1588 C C3  . EPE D 4 .   ? -38.256 -13.295 -20.549 1.00 37.14 ? 203 EPE B C3  1 
HETATM 1589 N N4  . EPE D 4 .   ? -38.355 -12.912 -19.140 1.00 34.87 ? 203 EPE B N4  1 
HETATM 1590 C C5  . EPE D 4 .   ? -37.885 -13.992 -18.263 1.00 33.87 ? 203 EPE B C5  1 
HETATM 1591 C C6  . EPE D 4 .   ? -38.603 -15.287 -18.558 1.00 38.20 ? 203 EPE B C6  1 
HETATM 1592 C C7  . EPE D 4 .   ? -37.831 -11.587 -18.802 1.00 29.63 ? 203 EPE B C7  1 
HETATM 1593 C C8  . EPE D 4 .   ? -37.800 -10.567 -19.936 1.00 28.71 ? 203 EPE B C8  1 
HETATM 1594 O O8  . EPE D 4 .   ? -39.021 -10.431 -20.659 1.00 26.45 ? 203 EPE B O8  1 
HETATM 1595 C C9  . EPE D 4 .   ? -39.194 -16.940 -20.232 1.00 48.12 ? 203 EPE B C9  1 
HETATM 1596 C C10 . EPE D 4 .   ? -38.335 -18.081 -20.766 1.00 51.22 ? 203 EPE B C10 1 
HETATM 1597 S S   . EPE D 4 .   ? -39.195 -19.636 -20.810 1.00 48.91 ? 203 EPE B S   1 
HETATM 1598 O O1S . EPE D 4 .   ? -38.227 -20.583 -21.290 1.00 57.29 ? 203 EPE B O1S 1 
HETATM 1599 O O2S . EPE D 4 .   ? -40.418 -19.442 -21.542 1.00 47.52 ? 203 EPE B O2S 1 
HETATM 1600 O O3S . EPE D 4 .   ? -39.575 -20.025 -19.357 1.00 47.26 ? 203 EPE B O3S 1 
HETATM 1601 C C1  . EDO E 2 .   ? -50.486 -16.951 -33.272 1.00 40.06 ? 204 EDO B C1  1 
HETATM 1602 O O1  . EDO E 2 .   ? -49.184 -16.417 -33.162 1.00 33.77 ? 204 EDO B O1  1 
HETATM 1603 C C2  . EDO E 2 .   ? -51.105 -17.153 -31.961 1.00 39.50 ? 204 EDO B C2  1 
HETATM 1604 O O2  . EDO E 2 .   ? -51.161 -15.945 -31.273 1.00 44.71 ? 204 EDO B O2  1 
HETATM 1605 S S   . SO4 F 5 .   ? -40.407 -24.663 -26.285 1.00 40.04 ? 205 SO4 B S   1 
HETATM 1606 O O1  . SO4 F 5 .   ? -39.781 -23.658 -27.076 1.00 24.71 ? 205 SO4 B O1  1 
HETATM 1607 O O2  . SO4 F 5 .   ? -41.213 -25.508 -27.115 1.00 43.96 ? 205 SO4 B O2  1 
HETATM 1608 O O3  . SO4 F 5 .   ? -39.367 -25.474 -25.675 1.00 45.44 ? 205 SO4 B O3  1 
HETATM 1609 O O4  . SO4 F 5 .   ? -41.197 -24.074 -25.232 1.00 41.37 ? 205 SO4 B O4  1 
HETATM 1610 O O   . HOH G 6 .   ? -26.882 -28.530 -28.051 1.00 22.54 ? 301 HOH B O   1 
HETATM 1611 O O   . HOH G 6 .   ? -33.760 4.887   -16.765 1.00 48.09 ? 302 HOH B O   1 
HETATM 1612 O O   . HOH G 6 .   ? -38.692 -15.325 -11.596 1.00 33.51 ? 303 HOH B O   1 
HETATM 1613 O O   . HOH G 6 .   ? -22.649 -1.745  -9.832  1.00 26.69 ? 304 HOH B O   1 
HETATM 1614 O O   . HOH G 6 .   ? -40.109 -1.159  -9.966  1.00 33.01 ? 305 HOH B O   1 
HETATM 1615 O O   . HOH G 6 .   ? -36.205 5.473   -15.841 1.00 24.82 ? 306 HOH B O   1 
HETATM 1616 O O   . HOH G 6 .   ? -18.671 -21.973 -35.742 1.00 17.06 ? 307 HOH B O   1 
HETATM 1617 O O   . HOH G 6 .   ? -47.108 -16.915 -31.818 1.00 23.57 ? 308 HOH B O   1 
HETATM 1618 O O   . HOH G 6 .   ? -38.639 0.686   -11.954 1.00 32.94 ? 309 HOH B O   1 
HETATM 1619 O O   . HOH G 6 .   ? -29.531 -12.487 -37.788 1.00 23.10 ? 310 HOH B O   1 
HETATM 1620 O O   . HOH G 6 .   ? -45.578 3.670   -34.258 1.00 19.74 ? 311 HOH B O   1 
HETATM 1621 O O   . HOH G 6 .   ? -38.046 2.752   -22.813 1.00 20.16 ? 312 HOH B O   1 
HETATM 1622 O O   . HOH G 6 .   ? -15.543 -5.389  -13.743 1.00 30.27 ? 313 HOH B O   1 
HETATM 1623 O O   . HOH G 6 .   ? -13.489 -23.596 -31.580 1.00 15.71 ? 314 HOH B O   1 
HETATM 1624 O O   . HOH G 6 .   ? -32.928 1.096   -33.606 1.00 20.31 ? 315 HOH B O   1 
HETATM 1625 O O   . HOH G 6 .   ? -26.171 3.508   -35.328 1.00 31.82 ? 316 HOH B O   1 
HETATM 1626 O O   . HOH G 6 .   ? -44.869 7.560   -24.530 1.00 45.23 ? 317 HOH B O   1 
HETATM 1627 O O   . HOH G 6 .   ? -35.691 -19.219 -30.530 1.00 32.63 ? 318 HOH B O   1 
HETATM 1628 O O   . HOH G 6 .   ? -47.070 1.336   -25.640 1.00 30.93 ? 319 HOH B O   1 
HETATM 1629 O O   . HOH G 6 .   ? -35.900 -22.490 -19.582 1.00 24.83 ? 320 HOH B O   1 
HETATM 1630 O O   . HOH G 6 .   ? -39.960 -11.607 -22.820 1.00 29.87 ? 321 HOH B O   1 
HETATM 1631 O O   . HOH G 6 .   ? -45.502 0.071   -11.869 1.00 18.75 ? 322 HOH B O   1 
HETATM 1632 O O   . HOH G 6 .   ? -19.422 -29.731 -15.499 1.00 29.03 ? 323 HOH B O   1 
HETATM 1633 O O   . HOH G 6 .   ? -9.473  -18.653 -30.200 1.00 45.58 ? 324 HOH B O   1 
HETATM 1634 O O   . HOH G 6 .   ? -36.887 -16.332 -39.405 1.00 27.61 ? 325 HOH B O   1 
HETATM 1635 O O   . HOH G 6 .   ? -24.456 -31.106 -21.933 1.00 32.87 ? 326 HOH B O   1 
HETATM 1636 O O   . HOH G 6 .   ? -30.768 -6.653  -11.328 1.00 14.40 ? 327 HOH B O   1 
HETATM 1637 O O   . HOH G 6 .   ? -25.954 -22.680 -35.816 1.00 26.33 ? 328 HOH B O   1 
HETATM 1638 O O   . HOH G 6 .   ? -36.583 -23.119 -30.807 1.00 31.63 ? 329 HOH B O   1 
HETATM 1639 O O   . HOH G 6 .   ? -37.385 -25.461 -11.477 1.00 35.60 ? 330 HOH B O   1 
HETATM 1640 O O   . HOH G 6 .   ? -8.982  -13.550 -25.268 1.00 32.96 ? 331 HOH B O   1 
HETATM 1641 O O   . HOH G 6 .   ? -49.718 -1.806  -19.488 1.00 30.61 ? 332 HOH B O   1 
HETATM 1642 O O   . HOH G 6 .   ? -16.164 -19.521 -15.700 1.00 25.55 ? 333 HOH B O   1 
HETATM 1643 O O   . HOH G 6 .   ? -17.555 -21.282 -12.395 1.00 17.75 ? 334 HOH B O   1 
HETATM 1644 O O   . HOH G 6 .   ? -36.775 -26.049 -23.820 1.00 32.39 ? 335 HOH B O   1 
HETATM 1645 O O   . HOH G 6 .   ? -17.531 -27.604 -19.594 1.00 18.60 ? 336 HOH B O   1 
HETATM 1646 O O   . HOH G 6 .   ? -40.945 -9.432  -36.801 1.00 27.18 ? 337 HOH B O   1 
HETATM 1647 O O   . HOH G 6 .   ? -45.065 -12.457 -26.476 1.00 33.10 ? 338 HOH B O   1 
HETATM 1648 O O   . HOH G 6 .   ? -43.028 -15.399 -10.166 1.00 23.14 ? 339 HOH B O   1 
HETATM 1649 O O   . HOH G 6 .   ? -10.947 -21.207 -25.139 1.00 29.84 ? 340 HOH B O   1 
HETATM 1650 O O   . HOH G 6 .   ? -18.484 -4.634  -24.753 1.00 17.30 ? 341 HOH B O   1 
HETATM 1651 O O   . HOH G 6 .   ? -26.515 -25.662 -16.320 1.00 17.49 ? 342 HOH B O   1 
HETATM 1652 O O   . HOH G 6 .   ? -38.390 3.760   -42.197 1.00 28.50 ? 343 HOH B O   1 
HETATM 1653 O O   . HOH G 6 .   ? -21.005 -5.981  -2.134  1.00 44.88 ? 344 HOH B O   1 
HETATM 1654 O O   . HOH G 6 .   ? -12.733 -21.345 -18.640 1.00 28.03 ? 345 HOH B O   1 
HETATM 1655 O O   . HOH G 6 .   ? -38.532 -7.620  -10.769 1.00 15.43 ? 346 HOH B O   1 
HETATM 1656 O O   . HOH G 6 .   ? -25.261 -14.219 -3.533  1.00 33.50 ? 347 HOH B O   1 
HETATM 1657 O O   . HOH G 6 .   ? -38.749 -2.497  -21.399 1.00 14.60 ? 348 HOH B O   1 
HETATM 1658 O O   . HOH G 6 .   ? -30.689 1.158   -17.065 1.00 27.44 ? 349 HOH B O   1 
HETATM 1659 O O   . HOH G 6 .   ? -30.846 -20.339 -21.326 1.00 12.30 ? 350 HOH B O   1 
HETATM 1660 O O   . HOH G 6 .   ? -41.794 1.456   -22.559 1.00 35.59 ? 351 HOH B O   1 
HETATM 1661 O O   . HOH G 6 .   ? -13.474 -20.982 -35.108 1.00 31.53 ? 352 HOH B O   1 
HETATM 1662 O O   . HOH G 6 .   ? -16.677 -5.512  -9.428  1.00 30.74 ? 353 HOH B O   1 
HETATM 1663 O O   . HOH G 6 .   ? -26.486 1.983   -11.083 1.00 28.64 ? 354 HOH B O   1 
HETATM 1664 O O   . HOH G 6 .   ? -32.778 -18.205 -37.267 1.00 35.09 ? 355 HOH B O   1 
HETATM 1665 O O   . HOH G 6 .   ? -19.369 -4.305  -22.091 1.00 15.56 ? 356 HOH B O   1 
HETATM 1666 O O   . HOH G 6 .   ? -34.123 -22.019 -31.375 1.00 18.06 ? 357 HOH B O   1 
HETATM 1667 O O   . HOH G 6 .   ? -23.243 4.358   -24.697 1.00 25.63 ? 358 HOH B O   1 
HETATM 1668 O O   . HOH G 6 .   ? -23.897 1.255   -10.792 1.00 33.99 ? 359 HOH B O   1 
HETATM 1669 O O   . HOH G 6 .   ? -36.246 -1.845  -33.878 1.00 19.47 ? 360 HOH B O   1 
HETATM 1670 O O   . HOH G 6 .   ? -9.319  -20.762 -28.941 1.00 38.02 ? 361 HOH B O   1 
HETATM 1671 O O   . HOH G 6 .   ? -10.316 -23.546 -21.839 1.00 30.79 ? 362 HOH B O   1 
HETATM 1672 O O   . HOH G 6 .   ? -40.722 -14.487 -8.470  1.00 30.73 ? 363 HOH B O   1 
HETATM 1673 O O   . HOH G 6 .   ? -19.793 1.772   -30.622 1.00 31.49 ? 364 HOH B O   1 
HETATM 1674 O O   . HOH G 6 .   ? -19.333 -26.155 -31.811 1.00 17.89 ? 365 HOH B O   1 
HETATM 1675 O O   . HOH G 6 .   ? -30.274 -23.935 -34.048 1.00 21.96 ? 366 HOH B O   1 
HETATM 1676 O O   . HOH G 6 .   ? -17.919 -19.898 -37.506 1.00 26.68 ? 367 HOH B O   1 
HETATM 1677 O O   . HOH G 6 .   ? -20.930 -16.320 -5.513  1.00 16.13 ? 368 HOH B O   1 
HETATM 1678 O O   . HOH G 6 .   ? -23.228 2.307   -23.086 1.00 27.68 ? 369 HOH B O   1 
HETATM 1679 O O   . HOH G 6 .   ? -42.233 -3.970  -39.465 1.00 21.01 ? 370 HOH B O   1 
HETATM 1680 O O   . HOH G 6 .   ? -27.153 -20.192 -6.951  1.00 17.04 ? 371 HOH B O   1 
HETATM 1681 O O   . HOH G 6 .   ? -42.572 -5.799  -12.271 1.00 21.61 ? 372 HOH B O   1 
HETATM 1682 O O   . HOH G 6 .   ? -40.283 -14.379 -31.408 1.00 14.00 ? 373 HOH B O   1 
HETATM 1683 O O   . HOH G 6 .   ? -26.701 -17.534 -7.742  1.00 16.35 ? 374 HOH B O   1 
HETATM 1684 O O   . HOH G 6 .   ? -43.871 -0.627  -24.446 1.00 30.97 ? 375 HOH B O   1 
HETATM 1685 O O   . HOH G 6 .   ? -34.015 -21.875 -36.445 1.00 42.19 ? 376 HOH B O   1 
HETATM 1686 O O   . HOH G 6 .   ? -15.033 -19.750 -37.509 1.00 25.15 ? 377 HOH B O   1 
HETATM 1687 O O   . HOH G 6 .   ? -32.281 -4.988  -12.963 1.00 13.53 ? 378 HOH B O   1 
HETATM 1688 O O   . HOH G 6 .   ? -45.731 -19.649 -31.619 1.00 26.67 ? 379 HOH B O   1 
HETATM 1689 O O   . HOH G 6 .   ? -35.495 -4.683  -42.193 1.00 23.52 ? 380 HOH B O   1 
HETATM 1690 O O   . HOH G 6 .   ? -37.019 0.799   -15.586 1.00 16.21 ? 381 HOH B O   1 
HETATM 1691 O O   . HOH G 6 .   ? -23.990 -12.330 -6.598  1.00 18.14 ? 382 HOH B O   1 
HETATM 1692 O O   . HOH G 6 .   ? -36.493 -0.993  -22.116 1.00 13.52 ? 383 HOH B O   1 
HETATM 1693 O O   . HOH G 6 .   ? -39.962 6.122   -26.251 1.00 43.88 ? 384 HOH B O   1 
HETATM 1694 O O   . HOH G 6 .   ? -41.389 -8.494  -13.314 1.00 20.77 ? 385 HOH B O   1 
HETATM 1695 O O   . HOH G 6 .   ? -41.085 -6.040  -38.046 1.00 27.92 ? 386 HOH B O   1 
HETATM 1696 O O   . HOH G 6 .   ? -19.035 -29.079 -23.411 1.00 24.42 ? 387 HOH B O   1 
HETATM 1697 O O   . HOH G 6 .   ? -45.780 -14.735 -27.621 1.00 36.17 ? 388 HOH B O   1 
HETATM 1698 O O   . HOH G 6 .   ? -23.755 -21.042 -38.881 1.00 22.23 ? 389 HOH B O   1 
HETATM 1699 O O   . HOH G 6 .   ? -33.482 -1.860  -38.429 1.00 25.56 ? 390 HOH B O   1 
HETATM 1700 O O   . HOH G 6 .   ? -17.880 -4.251  -6.060  1.00 38.30 ? 391 HOH B O   1 
HETATM 1701 O O   . HOH G 6 .   ? -33.374 -14.848 -6.994  1.00 21.11 ? 392 HOH B O   1 
HETATM 1702 O O   . HOH G 6 .   ? -24.311 -4.269  -36.875 1.00 36.57 ? 393 HOH B O   1 
HETATM 1703 O O   . HOH G 6 .   ? -25.307 -10.503 -23.591 1.00 13.16 ? 394 HOH B O   1 
HETATM 1704 O O   . HOH G 6 .   ? -41.079 -8.864  -19.344 1.00 13.78 ? 395 HOH B O   1 
HETATM 1705 O O   . HOH G 6 .   ? -15.820 -11.857 -5.714  1.00 42.09 ? 396 HOH B O   1 
HETATM 1706 O O   . HOH G 6 .   ? -24.813 -14.990 -6.817  1.00 16.13 ? 397 HOH B O   1 
HETATM 1707 O O   . HOH G 6 .   ? -45.953 -4.304  -34.056 1.00 20.22 ? 398 HOH B O   1 
HETATM 1708 O O   . HOH G 6 .   ? -14.426 -16.521 -33.013 1.00 28.52 ? 399 HOH B O   1 
HETATM 1709 O O   . HOH G 6 .   ? -18.052 -15.952 -6.124  1.00 20.41 ? 400 HOH B O   1 
HETATM 1710 O O   . HOH G 6 .   ? -12.679 -18.436 -34.730 1.00 37.12 ? 401 HOH B O   1 
HETATM 1711 O O   . HOH G 6 .   ? -39.920 2.714   -16.145 1.00 16.51 ? 402 HOH B O   1 
HETATM 1712 O O   . HOH G 6 .   ? -9.369  -15.968 -26.570 1.00 28.53 ? 403 HOH B O   1 
HETATM 1713 O O   . HOH G 6 .   ? -31.514 3.455   -26.908 1.00 23.90 ? 404 HOH B O   1 
HETATM 1714 O O   . HOH G 6 .   ? -35.802 -3.579  -9.973  1.00 47.36 ? 405 HOH B O   1 
HETATM 1715 O O   . HOH G 6 .   ? -41.202 5.346   -28.522 1.00 29.78 ? 406 HOH B O   1 
HETATM 1716 O O   . HOH G 6 .   ? -36.340 -0.332  -42.193 1.00 33.75 ? 407 HOH B O   1 
HETATM 1717 O O   . HOH G 6 .   ? -41.590 -9.791  -43.871 1.00 33.73 ? 408 HOH B O   1 
HETATM 1718 O O   . HOH G 6 .   ? -28.769 7.820   -30.098 1.00 30.01 ? 409 HOH B O   1 
HETATM 1719 O O   . HOH G 6 .   ? -24.759 -11.033 -4.204  1.00 23.65 ? 410 HOH B O   1 
HETATM 1720 O O   . HOH G 6 .   ? -38.663 3.966   -13.734 1.00 36.15 ? 411 HOH B O   1 
HETATM 1721 O O   . HOH G 6 .   ? -13.231 -6.290  -29.280 1.00 31.29 ? 412 HOH B O   1 
HETATM 1722 O O   . HOH G 6 .   ? -40.799 6.325   -33.175 1.00 29.30 ? 413 HOH B O   1 
HETATM 1723 O O   . HOH G 6 .   ? -18.354 -17.352 -36.436 1.00 26.29 ? 414 HOH B O   1 
HETATM 1724 O O   . HOH G 6 .   ? -17.904 -11.208 -35.638 1.00 25.96 ? 415 HOH B O   1 
HETATM 1725 O O   . HOH G 6 .   ? -31.022 4.069   -24.400 1.00 24.75 ? 416 HOH B O   1 
HETATM 1726 O O   . HOH G 6 .   ? -42.396 -5.088  -43.766 1.00 21.99 ? 417 HOH B O   1 
HETATM 1727 O O   . HOH G 6 .   ? -43.206 3.743   -18.795 1.00 20.92 ? 418 HOH B O   1 
HETATM 1728 O O   . HOH G 6 .   ? -34.686 -9.022  -6.081  1.00 43.09 ? 419 HOH B O   1 
HETATM 1729 O O   . HOH G 6 .   ? -40.339 -7.471  -34.869 1.00 21.69 ? 420 HOH B O   1 
HETATM 1730 O O   . HOH G 6 .   ? -34.275 -7.143  -7.905  1.00 30.84 ? 421 HOH B O   1 
HETATM 1731 O O   . HOH G 6 .   ? -16.031 -14.737 -8.668  1.00 32.13 ? 422 HOH B O   1 
HETATM 1732 O O   . HOH G 6 .   ? -52.495 -14.148 -29.123 1.00 44.31 ? 423 HOH B O   1 
HETATM 1733 O O   . HOH G 6 .   ? -25.180 6.983   -28.966 1.00 30.48 ? 424 HOH B O   1 
HETATM 1734 O O   . HOH G 6 .   ? -19.943 2.299   -24.056 1.00 39.46 ? 425 HOH B O   1 
HETATM 1735 O O   . HOH G 6 .   ? -30.755 -17.318 -42.764 1.00 33.08 ? 426 HOH B O   1 
HETATM 1736 O O   . HOH G 6 .   ? -16.046 -7.328  -11.292 1.00 32.73 ? 427 HOH B O   1 
HETATM 1737 O O   . HOH G 6 .   ? -32.832 -23.575 -33.466 1.00 31.95 ? 428 HOH B O   1 
HETATM 1738 O O   . HOH G 6 .   ? -47.714 0.000   -32.991 0.50 21.73 ? 429 HOH B O   1 
HETATM 1739 O O   . HOH G 6 .   ? -41.601 -15.262 -17.633 1.00 44.89 ? 430 HOH B O   1 
HETATM 1740 O O   . HOH G 6 .   ? -36.668 -6.586  -8.988  1.00 31.27 ? 431 HOH B O   1 
HETATM 1741 O O   . HOH G 6 .   ? -8.403  -23.069 -30.237 1.00 28.89 ? 432 HOH B O   1 
HETATM 1742 O O   . HOH G 6 .   ? -21.650 6.952   -32.261 1.00 31.05 ? 433 HOH B O   1 
HETATM 1743 O O   . HOH G 6 .   ? -40.090 5.162   -22.087 1.00 31.24 ? 434 HOH B O   1 
HETATM 1744 O O   . HOH G 6 .   ? -22.786 3.353   -20.641 1.00 39.37 ? 435 HOH B O   1 
HETATM 1745 O O   . HOH G 6 .   ? -36.647 2.183   -43.240 1.00 39.11 ? 436 HOH B O   1 
HETATM 1746 O O   . HOH G 6 .   ? -38.759 -16.504 -40.975 1.00 37.87 ? 437 HOH B O   1 
HETATM 1747 O O   . HOH G 6 .   ? -15.912 -22.248 -14.508 1.00 28.71 ? 438 HOH B O   1 
HETATM 1748 O O   . HOH G 6 .   ? -42.144 -13.032 -22.412 1.00 28.79 ? 439 HOH B O   1 
HETATM 1749 O O   . HOH G 6 .   ? -28.341 -27.666 -16.872 1.00 22.37 ? 440 HOH B O   1 
HETATM 1750 O O   . HOH G 6 .   ? -16.032 -27.013 -17.160 1.00 34.83 ? 441 HOH B O   1 
# 
