data_7HNI
# 
_entry.id   7HNI 
# 
_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   7HNI         pdb_00007hni 10.2210/pdb7hni/pdb 
WWPDB D_1001407696 ?            ?                   
# 
_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                        7HNI 
_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 'N-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide'   193.246   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    142 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;52 kDa Ro protein,52 kDa ribonucleoprotein autoantigen Ro/SS-A,Ro(SS-A),Sjoegren syndrome type A antigen,SS-A,Tripartite motif-containing protein 21
;
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_strand_id                 B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 1,2-ETHANEDIOL                                        EDO 
3 'N-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide'   NUA 
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 
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 
NUA non-polymer         . 'N-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide'   ?                 'C10 H15 N3 O'   193.246 
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        NUA 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   NUA 
_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 NUA 1   202 302 NUA 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   301 107 HOH HOH B . 
G 6 HOH 2   302 281 HOH HOH B . 
G 6 HOH 3   303 4   HOH HOH B . 
G 6 HOH 4   304 29  HOH HOH B . 
G 6 HOH 5   305 12  HOH HOH B . 
G 6 HOH 6   306 99  HOH HOH B . 
G 6 HOH 7   307 2   HOH HOH B . 
G 6 HOH 8   308 40  HOH HOH B . 
G 6 HOH 9   309 21  HOH HOH B . 
G 6 HOH 10  310 33  HOH HOH B . 
G 6 HOH 11  311 9   HOH HOH B . 
G 6 HOH 12  312 1   HOH HOH B . 
G 6 HOH 13  313 26  HOH HOH B . 
G 6 HOH 14  314 27  HOH HOH B . 
G 6 HOH 15  315 63  HOH HOH B . 
G 6 HOH 16  316 129 HOH HOH B . 
G 6 HOH 17  317 16  HOH HOH B . 
G 6 HOH 18  318 95  HOH HOH B . 
G 6 HOH 19  319 5   HOH HOH B . 
G 6 HOH 20  320 90  HOH HOH B . 
G 6 HOH 21  321 16  HOH HOH B . 
G 6 HOH 22  322 51  HOH HOH B . 
G 6 HOH 23  323 120 HOH HOH B . 
G 6 HOH 24  324 86  HOH HOH B . 
G 6 HOH 25  325 72  HOH HOH B . 
G 6 HOH 26  326 11  HOH HOH B . 
G 6 HOH 27  327 25  HOH HOH B . 
G 6 HOH 28  328 89  HOH HOH B . 
G 6 HOH 29  329 10  HOH HOH B . 
G 6 HOH 30  330 36  HOH HOH B . 
G 6 HOH 31  331 34  HOH HOH B . 
G 6 HOH 32  332 102 HOH HOH B . 
G 6 HOH 33  333 39  HOH HOH B . 
G 6 HOH 34  334 18  HOH HOH B . 
G 6 HOH 35  335 100 HOH HOH B . 
G 6 HOH 36  336 70  HOH HOH B . 
G 6 HOH 37  337 68  HOH HOH B . 
G 6 HOH 38  338 31  HOH HOH B . 
G 6 HOH 39  339 55  HOH HOH B . 
G 6 HOH 40  340 20  HOH HOH B . 
G 6 HOH 41  341 81  HOH HOH B . 
G 6 HOH 42  342 157 HOH HOH B . 
G 6 HOH 43  343 26  HOH HOH B . 
G 6 HOH 44  344 2   HOH HOH B . 
G 6 HOH 45  345 80  HOH HOH B . 
G 6 HOH 46  346 62  HOH HOH B . 
G 6 HOH 47  347 7   HOH HOH B . 
G 6 HOH 48  348 29  HOH HOH B . 
G 6 HOH 49  349 22  HOH HOH B . 
G 6 HOH 50  350 50  HOH HOH B . 
G 6 HOH 51  351 184 HOH HOH B . 
G 6 HOH 52  352 19  HOH HOH B . 
G 6 HOH 53  353 267 HOH HOH B . 
G 6 HOH 54  354 27  HOH HOH B . 
G 6 HOH 55  355 211 HOH HOH B . 
G 6 HOH 56  356 10  HOH HOH B . 
G 6 HOH 57  357 1   HOH HOH B . 
G 6 HOH 58  358 214 HOH HOH B . 
G 6 HOH 59  359 15  HOH HOH B . 
G 6 HOH 60  360 43  HOH HOH B . 
G 6 HOH 61  361 58  HOH HOH B . 
G 6 HOH 62  362 85  HOH HOH B . 
G 6 HOH 63  363 126 HOH HOH B . 
G 6 HOH 64  364 30  HOH HOH B . 
G 6 HOH 65  365 137 HOH HOH B . 
G 6 HOH 66  366 270 HOH HOH B . 
G 6 HOH 67  367 66  HOH HOH B . 
G 6 HOH 68  368 4   HOH HOH B . 
G 6 HOH 69  369 47  HOH HOH B . 
G 6 HOH 70  370 71  HOH HOH B . 
G 6 HOH 71  371 61  HOH HOH B . 
G 6 HOH 72  372 76  HOH HOH B . 
G 6 HOH 73  373 59  HOH HOH B . 
G 6 HOH 74  374 6   HOH HOH B . 
G 6 HOH 75  375 8   HOH HOH B . 
G 6 HOH 76  376 304 HOH HOH B . 
G 6 HOH 77  377 32  HOH HOH B . 
G 6 HOH 78  378 25  HOH HOH B . 
G 6 HOH 79  379 17  HOH HOH B . 
G 6 HOH 80  380 3   HOH HOH B . 
G 6 HOH 81  381 264 HOH HOH B . 
G 6 HOH 82  382 3   HOH HOH B . 
G 6 HOH 83  383 125 HOH HOH B . 
G 6 HOH 84  384 5   HOH HOH B . 
G 6 HOH 85  385 14  HOH HOH B . 
G 6 HOH 86  386 64  HOH HOH B . 
G 6 HOH 87  387 93  HOH HOH B . 
G 6 HOH 88  388 116 HOH HOH B . 
G 6 HOH 89  389 24  HOH HOH B . 
G 6 HOH 90  390 32  HOH HOH B . 
G 6 HOH 91  391 303 HOH HOH B . 
G 6 HOH 92  392 172 HOH HOH B . 
G 6 HOH 93  393 23  HOH HOH B . 
G 6 HOH 94  394 46  HOH HOH B . 
G 6 HOH 95  395 97  HOH HOH B . 
G 6 HOH 96  396 48  HOH HOH B . 
G 6 HOH 97  397 13  HOH HOH B . 
G 6 HOH 98  398 33  HOH HOH B . 
G 6 HOH 99  399 60  HOH HOH B . 
G 6 HOH 100 400 49  HOH HOH B . 
G 6 HOH 101 401 42  HOH HOH B . 
G 6 HOH 102 402 54  HOH HOH B . 
G 6 HOH 103 403 45  HOH HOH B . 
G 6 HOH 104 404 8   HOH HOH B . 
G 6 HOH 105 405 103 HOH HOH B . 
G 6 HOH 106 406 20  HOH HOH B . 
G 6 HOH 107 407 18  HOH HOH B . 
G 6 HOH 108 408 7   HOH HOH B . 
G 6 HOH 109 409 56  HOH HOH B . 
G 6 HOH 110 410 140 HOH HOH B . 
G 6 HOH 111 411 22  HOH HOH B . 
G 6 HOH 112 412 57  HOH HOH B . 
G 6 HOH 113 413 112 HOH HOH B . 
G 6 HOH 114 414 15  HOH HOH B . 
G 6 HOH 115 415 154 HOH HOH B . 
G 6 HOH 116 416 41  HOH HOH B . 
G 6 HOH 117 417 38  HOH HOH B . 
G 6 HOH 118 418 197 HOH HOH B . 
G 6 HOH 119 419 263 HOH HOH B . 
G 6 HOH 120 420 69  HOH HOH B . 
G 6 HOH 121 421 44  HOH HOH B . 
G 6 HOH 122 422 53  HOH HOH B . 
G 6 HOH 123 423 257 HOH HOH B . 
G 6 HOH 124 424 133 HOH HOH B . 
G 6 HOH 125 425 19  HOH HOH B . 
G 6 HOH 126 426 30  HOH HOH B . 
G 6 HOH 127 427 266 HOH HOH B . 
G 6 HOH 128 428 114 HOH HOH B . 
G 6 HOH 129 429 115 HOH HOH B . 
G 6 HOH 130 430 156 HOH HOH B . 
G 6 HOH 131 431 23  HOH HOH B . 
G 6 HOH 132 432 21  HOH HOH B . 
G 6 HOH 133 433 98  HOH HOH B . 
G 6 HOH 134 434 31  HOH HOH B . 
G 6 HOH 135 435 82  HOH HOH B . 
G 6 HOH 136 436 166 HOH HOH B . 
G 6 HOH 137 437 104 HOH HOH B . 
G 6 HOH 138 438 127 HOH HOH B . 
G 6 HOH 139 439 205 HOH HOH B . 
G 6 HOH 140 440 259 HOH HOH B . 
G 6 HOH 141 441 14  HOH HOH B . 
G 6 HOH 142 442 131 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           7HNI 
_cell.length_a           95.316 
_cell.length_b           95.316 
_cell.length_c           45.859 
_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                         7HNI 
_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          7HNI 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.41 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   48.99 
_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   2024-07-03 
_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                     7HNI 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             41.320 
_reflns.d_resolution_high            1.270 
_reflns.number_obs                   51186 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         94.400 
_reflns.pdbx_Rmerge_I_obs            0.083 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        17.300 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              11.200 
_reflns.pdbx_Rrim_I_all              0.087 
_reflns.pdbx_Rpim_I_all              0.025 
_reflns.pdbx_CC_half                 0.997 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     572959 
_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 1.270 1.290  ? 6897 1663 ? 1.566 ? ? ? 4.100  ? 0.600  ? ? ? ? ? ? 63.600 1.794 0.849 0.313 
1 2 6.960 41.320 ? 4453 360  ? 0.052 ? ? ? 12.400 ? 94.600 ? ? ? ? ? ? 99.600 0.055 0.017 0.991 
# 
_refine.entry_id                                 7HNI 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.2700 
_refine.ls_d_res_low                             41.3600 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    94.1200 
_refine.ls_number_reflns_obs                     48649 
_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                          0.1738 
_refine.ls_R_factor_R_work                       0.1730 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.1897 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.9000 
_refine.ls_number_reflns_R_free                  2485 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               16.4110 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.1600 
_refine.aniso_B[2][2]                            0.1600 
_refine.aniso_B[3][3]                            -0.3200 
_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          0.9650 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.overall_SU_R_free                        ? 
_refine.pdbx_overall_ESU_R                       0.0500 
_refine.pdbx_overall_ESU_R_Free                  0.0500 
_refine.overall_SU_ML                            0.0400 
_refine.overall_SU_B                             1.0100 
_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                                76.200 
_refine.B_iso_min                                8.500 
_refine.pdbx_overall_phase_error                 ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.pdbx_diffrn_id                           1 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.ls_R_factor_R_free_error_details         ? 
# 
_refine_hist.cycle_id                         final 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.d_res_high                       1.2700 
_refine_hist.d_res_low                        41.3600 
_refine_hist.pdbx_number_atoms_ligand         42 
_refine_hist.number_atoms_solvent             142 
_refine_hist.number_atoms_total               1677 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           34.21 
_refine_hist.pdbx_B_iso_mean_solvent          26.99 
_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       2025 0.013  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1642 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2546 1.899  1.644  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3799 1.445  1.582  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 235  7.079  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 107  27.052 21.215 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 285  11.639 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   21.444 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         219  0.088  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2228 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     492  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            946  1.459  1.428  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         938  1.426  1.416  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1129 2.304  2.130  ? ? 
# 
_refine_ls_shell.d_res_high                       1.2700 
_refine_ls_shell.d_res_low                        1.3030 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               63.0800 
_refine_ls_shell.number_reflns_R_work             2365 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3270 
_refine_ls_shell.R_factor_R_free                  0.3000 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             143 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                2508 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HNI 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z373768900' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HNI 
_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              7HNI 
_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 7HNI MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HNI HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HNI HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HNI HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HNI HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HNI HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HNI HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HNI 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       -3.28 
# 
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 VAL A 139 ? N VAL B 145 O PHE A 154 ? O PHE B 160 
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                   7HNI 
_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_bond.id                        1 
_pdbx_validate_rmsd_bond.PDB_model_num             1 
_pdbx_validate_rmsd_bond.auth_atom_id_1            CD 
_pdbx_validate_rmsd_bond.auth_asym_id_1            B 
_pdbx_validate_rmsd_bond.auth_comp_id_1            GLU 
_pdbx_validate_rmsd_bond.auth_seq_id_1             141 
_pdbx_validate_rmsd_bond.PDB_ins_code_1            ? 
_pdbx_validate_rmsd_bond.label_alt_id_1            ? 
_pdbx_validate_rmsd_bond.auth_atom_id_2            OE1 
_pdbx_validate_rmsd_bond.auth_asym_id_2            B 
_pdbx_validate_rmsd_bond.auth_comp_id_2            GLU 
_pdbx_validate_rmsd_bond.auth_seq_id_2             141 
_pdbx_validate_rmsd_bond.PDB_ins_code_2            ? 
_pdbx_validate_rmsd_bond.label_alt_id_2            ? 
_pdbx_validate_rmsd_bond.bond_value                1.184 
_pdbx_validate_rmsd_bond.bond_target_value         1.252 
_pdbx_validate_rmsd_bond.bond_deviation            -0.068 
_pdbx_validate_rmsd_bond.bond_standard_deviation   0.011 
_pdbx_validate_rmsd_bond.linker_flag               N 
# 
loop_
_pdbx_validate_rmsd_angle.id 
_pdbx_validate_rmsd_angle.PDB_model_num 
_pdbx_validate_rmsd_angle.auth_atom_id_1 
_pdbx_validate_rmsd_angle.auth_asym_id_1 
_pdbx_validate_rmsd_angle.auth_comp_id_1 
_pdbx_validate_rmsd_angle.auth_seq_id_1 
_pdbx_validate_rmsd_angle.PDB_ins_code_1 
_pdbx_validate_rmsd_angle.label_alt_id_1 
_pdbx_validate_rmsd_angle.auth_atom_id_2 
_pdbx_validate_rmsd_angle.auth_asym_id_2 
_pdbx_validate_rmsd_angle.auth_comp_id_2 
_pdbx_validate_rmsd_angle.auth_seq_id_2 
_pdbx_validate_rmsd_angle.PDB_ins_code_2 
_pdbx_validate_rmsd_angle.label_alt_id_2 
_pdbx_validate_rmsd_angle.auth_atom_id_3 
_pdbx_validate_rmsd_angle.auth_asym_id_3 
_pdbx_validate_rmsd_angle.auth_comp_id_3 
_pdbx_validate_rmsd_angle.auth_seq_id_3 
_pdbx_validate_rmsd_angle.PDB_ins_code_3 
_pdbx_validate_rmsd_angle.label_alt_id_3 
_pdbx_validate_rmsd_angle.angle_value 
_pdbx_validate_rmsd_angle.angle_target_value 
_pdbx_validate_rmsd_angle.angle_deviation 
_pdbx_validate_rmsd_angle.angle_standard_deviation 
_pdbx_validate_rmsd_angle.linker_flag 
1 1 NE B ARG 38 ? ? CZ B ARG 38 ? ? NH2 B ARG 38 ? ? 117.03 120.30 -3.27 0.50 N 
2 1 CG B ARG 64 ? ? CD B ARG 64 ? ? NE  B ARG 64 ? ? 128.85 111.80 17.05 2.10 N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASN B 45  ? ? 73.28   34.05 
2 1 ASP B 152 ? ? -105.57 53.93 
# 
_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     428 
_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 
LYS N    N N N 248 
LYS CA   C N S 249 
LYS C    C N N 250 
LYS O    O N N 251 
LYS CB   C N N 252 
LYS CG   C N N 253 
LYS CD   C N N 254 
LYS CE   C N N 255 
LYS NZ   N N N 256 
LYS OXT  O N N 257 
LYS H    H N N 258 
LYS H2   H N N 259 
LYS HA   H N N 260 
LYS HB2  H N N 261 
LYS HB3  H N N 262 
LYS HG2  H N N 263 
LYS HG3  H N N 264 
LYS HD2  H N N 265 
LYS HD3  H N N 266 
LYS HE2  H N N 267 
LYS HE3  H N N 268 
LYS HZ1  H N N 269 
LYS HZ2  H N N 270 
LYS HZ3  H N N 271 
LYS HXT  H N N 272 
MET N    N N N 273 
MET CA   C N S 274 
MET C    C N N 275 
MET O    O N N 276 
MET CB   C N N 277 
MET CG   C N N 278 
MET SD   S N N 279 
MET CE   C N N 280 
MET OXT  O N N 281 
MET H    H N N 282 
MET H2   H N N 283 
MET HA   H N N 284 
MET HB2  H N N 285 
MET HB3  H N N 286 
MET HG2  H N N 287 
MET HG3  H N N 288 
MET HE1  H N N 289 
MET HE2  H N N 290 
MET HE3  H N N 291 
MET HXT  H N N 292 
NUA N1   N Y N 293 
NUA N3   N Y N 294 
NUA C4   C Y N 295 
NUA C5   C N N 296 
NUA C6   C N N 297 
NUA C7   C N N 298 
NUA C8   C N N 299 
NUA C10  C Y N 300 
NUA C1   C N N 301 
NUA C2   C N N 302 
NUA C3   C Y N 303 
NUA C9   C N N 304 
NUA N2   N N N 305 
NUA O1   O N N 306 
NUA H1   H N N 307 
NUA H2   H N N 308 
NUA H3   H N N 309 
NUA H4   H N N 310 
NUA H5   H N N 311 
NUA H6   H N N 312 
NUA H7   H N N 313 
NUA H8   H N N 314 
NUA H9   H N N 315 
NUA H10  H N N 316 
NUA H11  H N N 317 
NUA H12  H N N 318 
NUA H13  H N N 319 
NUA H14  H N N 320 
NUA H15  H N N 321 
PHE N    N N N 322 
PHE CA   C N S 323 
PHE C    C N N 324 
PHE O    O N N 325 
PHE CB   C N N 326 
PHE CG   C Y N 327 
PHE CD1  C Y N 328 
PHE CD2  C Y N 329 
PHE CE1  C Y N 330 
PHE CE2  C Y N 331 
PHE CZ   C Y N 332 
PHE OXT  O N N 333 
PHE H    H N N 334 
PHE H2   H N N 335 
PHE HA   H N N 336 
PHE HB2  H N N 337 
PHE HB3  H N N 338 
PHE HD1  H N N 339 
PHE HD2  H N N 340 
PHE HE1  H N N 341 
PHE HE2  H N N 342 
PHE HZ   H N N 343 
PHE HXT  H N N 344 
PRO N    N N N 345 
PRO CA   C N S 346 
PRO C    C N N 347 
PRO O    O N N 348 
PRO CB   C N N 349 
PRO CG   C N N 350 
PRO CD   C N N 351 
PRO OXT  O N N 352 
PRO H    H N N 353 
PRO HA   H N N 354 
PRO HB2  H N N 355 
PRO HB3  H N N 356 
PRO HG2  H N N 357 
PRO HG3  H N N 358 
PRO HD2  H N N 359 
PRO HD3  H N N 360 
PRO HXT  H N N 361 
SER N    N N N 362 
SER CA   C N S 363 
SER C    C N N 364 
SER O    O N N 365 
SER CB   C N N 366 
SER OG   O N N 367 
SER OXT  O N N 368 
SER H    H N N 369 
SER H2   H N N 370 
SER HA   H N N 371 
SER HB2  H N N 372 
SER HB3  H N N 373 
SER HG   H N N 374 
SER HXT  H N N 375 
SO4 S    S N N 376 
SO4 O1   O N N 377 
SO4 O2   O N N 378 
SO4 O3   O N N 379 
SO4 O4   O N N 380 
THR N    N N N 381 
THR CA   C N S 382 
THR C    C N N 383 
THR O    O N N 384 
THR CB   C N R 385 
THR OG1  O N N 386 
THR CG2  C N N 387 
THR OXT  O N N 388 
THR H    H N N 389 
THR H2   H N N 390 
THR HA   H N N 391 
THR HB   H N N 392 
THR HG1  H N N 393 
THR HG21 H N N 394 
THR HG22 H N N 395 
THR HG23 H N N 396 
THR HXT  H N N 397 
TRP N    N N N 398 
TRP CA   C N S 399 
TRP C    C N N 400 
TRP O    O N N 401 
TRP CB   C N N 402 
TRP CG   C Y N 403 
TRP CD1  C Y N 404 
TRP CD2  C Y N 405 
TRP NE1  N Y N 406 
TRP CE2  C Y N 407 
TRP CE3  C Y N 408 
TRP CZ2  C Y N 409 
TRP CZ3  C Y N 410 
TRP CH2  C Y N 411 
TRP OXT  O N N 412 
TRP H    H N N 413 
TRP H2   H N N 414 
TRP HA   H N N 415 
TRP HB2  H N N 416 
TRP HB3  H N N 417 
TRP HD1  H N N 418 
TRP HE1  H N N 419 
TRP HE3  H N N 420 
TRP HZ2  H N N 421 
TRP HZ3  H N N 422 
TRP HH2  H N N 423 
TRP HXT  H N N 424 
TYR N    N N N 425 
TYR CA   C N S 426 
TYR C    C N N 427 
TYR O    O N N 428 
TYR CB   C N N 429 
TYR CG   C Y N 430 
TYR CD1  C Y N 431 
TYR CD2  C Y N 432 
TYR CE1  C Y N 433 
TYR CE2  C Y N 434 
TYR CZ   C Y N 435 
TYR OH   O N N 436 
TYR OXT  O N N 437 
TYR H    H N N 438 
TYR H2   H N N 439 
TYR HA   H N N 440 
TYR HB2  H N N 441 
TYR HB3  H N N 442 
TYR HD1  H N N 443 
TYR HD2  H N N 444 
TYR HE1  H N N 445 
TYR HE2  H N N 446 
TYR HH   H N N 447 
TYR HXT  H N N 448 
VAL N    N N N 449 
VAL CA   C N S 450 
VAL C    C N N 451 
VAL O    O N N 452 
VAL CB   C N N 453 
VAL CG1  C N N 454 
VAL CG2  C N N 455 
VAL OXT  O N N 456 
VAL H    H N N 457 
VAL H2   H N N 458 
VAL HA   H N N 459 
VAL HB   H N N 460 
VAL HG11 H N N 461 
VAL HG12 H N N 462 
VAL HG13 H N N 463 
VAL HG21 H N N 464 
VAL HG22 H N N 465 
VAL HG23 H N N 466 
VAL HXT  H N N 467 
# 
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 
LYS N   CA   sing N N 236 
LYS N   H    sing N N 237 
LYS N   H2   sing N N 238 
LYS CA  C    sing N N 239 
LYS CA  CB   sing N N 240 
LYS CA  HA   sing N N 241 
LYS C   O    doub N N 242 
LYS C   OXT  sing N N 243 
LYS CB  CG   sing N N 244 
LYS CB  HB2  sing N N 245 
LYS CB  HB3  sing N N 246 
LYS CG  CD   sing N N 247 
LYS CG  HG2  sing N N 248 
LYS CG  HG3  sing N N 249 
LYS CD  CE   sing N N 250 
LYS CD  HD2  sing N N 251 
LYS CD  HD3  sing N N 252 
LYS CE  NZ   sing N N 253 
LYS CE  HE2  sing N N 254 
LYS CE  HE3  sing N N 255 
LYS NZ  HZ1  sing N N 256 
LYS NZ  HZ2  sing N N 257 
LYS NZ  HZ3  sing N N 258 
LYS OXT HXT  sing N N 259 
MET N   CA   sing N N 260 
MET N   H    sing N N 261 
MET N   H2   sing N N 262 
MET CA  C    sing N N 263 
MET CA  CB   sing N N 264 
MET CA  HA   sing N N 265 
MET C   O    doub N N 266 
MET C   OXT  sing N N 267 
MET CB  CG   sing N N 268 
MET CB  HB2  sing N N 269 
MET CB  HB3  sing N N 270 
MET CG  SD   sing N N 271 
MET CG  HG2  sing N N 272 
MET CG  HG3  sing N N 273 
MET SD  CE   sing N N 274 
MET CE  HE1  sing N N 275 
MET CE  HE2  sing N N 276 
MET CE  HE3  sing N N 277 
MET OXT HXT  sing N N 278 
NUA C9  C6   sing N N 279 
NUA C9  C8   sing N N 280 
NUA C6  C5   sing N N 281 
NUA C6  C7   sing N N 282 
NUA C8  C7   sing N N 283 
NUA N2  C5   sing N N 284 
NUA N2  C4   sing N N 285 
NUA C10 C4   sing Y N 286 
NUA C10 N3   doub Y N 287 
NUA C5  O1   doub N N 288 
NUA C4  C3   doub Y N 289 
NUA N3  N1   sing Y N 290 
NUA C3  N1   sing Y N 291 
NUA N1  C2   sing N N 292 
NUA C2  C1   sing N N 293 
NUA C6  H1   sing N N 294 
NUA C7  H2   sing N N 295 
NUA C7  H3   sing N N 296 
NUA C8  H4   sing N N 297 
NUA C8  H5   sing N N 298 
NUA C10 H6   sing N N 299 
NUA C1  H7   sing N N 300 
NUA C1  H8   sing N N 301 
NUA C1  H9   sing N N 302 
NUA C2  H10  sing N N 303 
NUA C2  H11  sing N N 304 
NUA C3  H12  sing N N 305 
NUA C9  H13  sing N N 306 
NUA C9  H14  sing N N 307 
NUA N2  H15  sing N N 308 
PHE N   CA   sing N N 309 
PHE N   H    sing N N 310 
PHE N   H2   sing N N 311 
PHE CA  C    sing N N 312 
PHE CA  CB   sing N N 313 
PHE CA  HA   sing N N 314 
PHE C   O    doub N N 315 
PHE C   OXT  sing N N 316 
PHE CB  CG   sing N N 317 
PHE CB  HB2  sing N N 318 
PHE CB  HB3  sing N N 319 
PHE CG  CD1  doub Y N 320 
PHE CG  CD2  sing Y N 321 
PHE CD1 CE1  sing Y N 322 
PHE CD1 HD1  sing N N 323 
PHE CD2 CE2  doub Y N 324 
PHE CD2 HD2  sing N N 325 
PHE CE1 CZ   doub Y N 326 
PHE CE1 HE1  sing N N 327 
PHE CE2 CZ   sing Y N 328 
PHE CE2 HE2  sing N N 329 
PHE CZ  HZ   sing N N 330 
PHE OXT HXT  sing N N 331 
PRO N   CA   sing N N 332 
PRO N   CD   sing N N 333 
PRO N   H    sing N N 334 
PRO CA  C    sing N N 335 
PRO CA  CB   sing N N 336 
PRO CA  HA   sing N N 337 
PRO C   O    doub N N 338 
PRO C   OXT  sing N N 339 
PRO CB  CG   sing N N 340 
PRO CB  HB2  sing N N 341 
PRO CB  HB3  sing N N 342 
PRO CG  CD   sing N N 343 
PRO CG  HG2  sing N N 344 
PRO CG  HG3  sing N N 345 
PRO CD  HD2  sing N N 346 
PRO CD  HD3  sing N N 347 
PRO OXT HXT  sing N N 348 
SER N   CA   sing N N 349 
SER N   H    sing N N 350 
SER N   H2   sing N N 351 
SER CA  C    sing N N 352 
SER CA  CB   sing N N 353 
SER CA  HA   sing N N 354 
SER C   O    doub N N 355 
SER C   OXT  sing N N 356 
SER CB  OG   sing N N 357 
SER CB  HB2  sing N N 358 
SER CB  HB3  sing N N 359 
SER OG  HG   sing N N 360 
SER OXT HXT  sing N N 361 
SO4 S   O1   doub N N 362 
SO4 S   O2   doub N N 363 
SO4 S   O3   sing N N 364 
SO4 S   O4   sing N N 365 
THR N   CA   sing N N 366 
THR N   H    sing N N 367 
THR N   H2   sing N N 368 
THR CA  C    sing N N 369 
THR CA  CB   sing N N 370 
THR CA  HA   sing N N 371 
THR C   O    doub N N 372 
THR C   OXT  sing N N 373 
THR CB  OG1  sing N N 374 
THR CB  CG2  sing N N 375 
THR CB  HB   sing N N 376 
THR OG1 HG1  sing N N 377 
THR CG2 HG21 sing N N 378 
THR CG2 HG22 sing N N 379 
THR CG2 HG23 sing N N 380 
THR OXT HXT  sing N N 381 
TRP N   CA   sing N N 382 
TRP N   H    sing N N 383 
TRP N   H2   sing N N 384 
TRP CA  C    sing N N 385 
TRP CA  CB   sing N N 386 
TRP CA  HA   sing N N 387 
TRP C   O    doub N N 388 
TRP C   OXT  sing N N 389 
TRP CB  CG   sing N N 390 
TRP CB  HB2  sing N N 391 
TRP CB  HB3  sing N N 392 
TRP CG  CD1  doub Y N 393 
TRP CG  CD2  sing Y N 394 
TRP CD1 NE1  sing Y N 395 
TRP CD1 HD1  sing N N 396 
TRP CD2 CE2  doub Y N 397 
TRP CD2 CE3  sing Y N 398 
TRP NE1 CE2  sing Y N 399 
TRP NE1 HE1  sing N N 400 
TRP CE2 CZ2  sing Y N 401 
TRP CE3 CZ3  doub Y N 402 
TRP CE3 HE3  sing N N 403 
TRP CZ2 CH2  doub Y N 404 
TRP CZ2 HZ2  sing N N 405 
TRP CZ3 CH2  sing Y N 406 
TRP CZ3 HZ3  sing N N 407 
TRP CH2 HH2  sing N N 408 
TRP OXT HXT  sing N N 409 
TYR N   CA   sing N N 410 
TYR N   H    sing N N 411 
TYR N   H2   sing N N 412 
TYR CA  C    sing N N 413 
TYR CA  CB   sing N N 414 
TYR CA  HA   sing N N 415 
TYR C   O    doub N N 416 
TYR C   OXT  sing N N 417 
TYR CB  CG   sing N N 418 
TYR CB  HB2  sing N N 419 
TYR CB  HB3  sing N N 420 
TYR CG  CD1  doub Y N 421 
TYR CG  CD2  sing Y N 422 
TYR CD1 CE1  sing Y N 423 
TYR CD1 HD1  sing N N 424 
TYR CD2 CE2  doub Y N 425 
TYR CD2 HD2  sing N N 426 
TYR CE1 CZ   doub Y N 427 
TYR CE1 HE1  sing N N 428 
TYR CE2 CZ   sing Y N 429 
TYR CE2 HE2  sing N N 430 
TYR CZ  OH   sing N N 431 
TYR OH  HH   sing N N 432 
TYR OXT HXT  sing N N 433 
VAL N   CA   sing N N 434 
VAL N   H    sing N N 435 
VAL N   H2   sing N N 436 
VAL CA  C    sing N N 437 
VAL CA  CB   sing N N 438 
VAL CA  HA   sing N N 439 
VAL C   O    doub N N 440 
VAL C   OXT  sing N N 441 
VAL CB  CG1  sing N N 442 
VAL CB  CG2  sing N N 443 
VAL CB  HB   sing N N 444 
VAL CG1 HG11 sing N N 445 
VAL CG1 HG12 sing N N 446 
VAL CG1 HG13 sing N N 447 
VAL CG2 HG21 sing N N 448 
VAL CG2 HG22 sing N N 449 
VAL CG2 HG23 sing N N 450 
VAL OXT HXT  sing N N 451 
# 
_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                    7HNI 
_atom_sites.fract_transf_matrix[1][1]   0.010491 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   -0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.010491 
_atom_sites.fract_transf_matrix[2][3]   0.000000 
_atom_sites.fract_transf_matrix[3][1]   0.000000 
_atom_sites.fract_transf_matrix[3][2]   -0.000000 
_atom_sites.fract_transf_matrix[3][3]   0.021806 
_atom_sites.fract_transf_vector[1]      0.000000 
_atom_sites.fract_transf_vector[2]      0.000000 
_atom_sites.fract_transf_vector[3]      0.000000 
# 
loop_
_atom_type.symbol 
C 
N 
O 
S 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N   . HIS A 1 2   ? -13.227 -12.746 -9.970  1.00 67.11 ? 8   HIS B N   1 
ATOM   2    C CA  . HIS A 1 2   ? -12.749 -13.402 -11.239 1.00 61.95 ? 8   HIS B CA  1 
ATOM   3    C C   . HIS A 1 2   ? -11.611 -12.576 -11.855 1.00 61.21 ? 8   HIS B C   1 
ATOM   4    O O   . HIS A 1 2   ? -11.465 -11.385 -11.479 1.00 68.71 ? 8   HIS B O   1 
ATOM   5    C CB  . HIS A 1 2   ? -13.921 -13.613 -12.222 1.00 54.45 ? 8   HIS B CB  1 
ATOM   6    C CG  . HIS A 1 2   ? -14.457 -12.367 -12.860 1.00 48.98 ? 8   HIS B CG  1 
ATOM   7    N ND1 . HIS A 1 2   ? -13.917 -11.835 -14.025 1.00 48.65 ? 8   HIS B ND1 1 
ATOM   8    C CD2 . HIS A 1 2   ? -15.485 -11.554 -12.523 1.00 45.97 ? 8   HIS B CD2 1 
ATOM   9    C CE1 . HIS A 1 2   ? -14.576 -10.741 -14.361 1.00 46.29 ? 8   HIS B CE1 1 
ATOM   10   N NE2 . HIS A 1 2   ? -15.549 -10.540 -13.458 1.00 39.41 ? 8   HIS B NE2 1 
ATOM   11   N N   . HIS A 1 3   ? -10.866 -13.174 -12.790 1.00 54.64 ? 9   HIS B N   1 
ATOM   12   C CA  . HIS A 1 3   ? -9.738  -12.542 -13.530 1.00 54.45 ? 9   HIS B CA  1 
ATOM   13   C C   . HIS A 1 3   ? -9.955  -12.664 -15.052 1.00 46.02 ? 9   HIS B C   1 
ATOM   14   O O   . HIS A 1 3   ? -8.951  -12.877 -15.776 1.00 43.84 ? 9   HIS B O   1 
ATOM   15   C CB  . HIS A 1 3   ? -8.412  -13.124 -12.994 1.00 61.60 ? 9   HIS B CB  1 
ATOM   16   C CG  . HIS A 1 3   ? -8.222  -12.834 -11.536 1.00 72.08 ? 9   HIS B CG  1 
ATOM   17   N ND1 . HIS A 1 3   ? -7.897  -11.567 -11.064 1.00 73.87 ? 9   HIS B ND1 1 
ATOM   18   C CD2 . HIS A 1 3   ? -8.366  -13.614 -10.441 1.00 75.07 ? 9   HIS B CD2 1 
ATOM   19   C CE1 . HIS A 1 3   ? -7.829  -11.589 -9.748  1.00 74.86 ? 9   HIS B CE1 1 
ATOM   20   N NE2 . HIS A 1 3   ? -8.106  -12.835 -9.342  1.00 76.20 ? 9   HIS B NE2 1 
ATOM   21   N N   . HIS A 1 4   ? -11.205 -12.473 -15.528 1.00 36.58 ? 10  HIS B N   1 
ATOM   22   C CA  . HIS A 1 4   ? -11.638 -12.666 -16.947 1.00 30.92 ? 10  HIS B CA  1 
ATOM   23   C C   . HIS A 1 4   ? -11.620 -11.333 -17.704 1.00 30.38 ? 10  HIS B C   1 
ATOM   24   O O   . HIS A 1 4   ? -11.734 -11.343 -18.947 1.00 27.15 ? 10  HIS B O   1 
ATOM   25   C CB  . HIS A 1 4   ? -13.051 -13.283 -17.031 1.00 29.40 ? 10  HIS B CB  1 
ATOM   26   C CG  . HIS A 1 4   ? -13.177 -14.635 -16.415 1.00 30.47 ? 10  HIS B CG  1 
ATOM   27   N ND1 . HIS A 1 4   ? -12.285 -15.673 -16.691 1.00 28.65 ? 10  HIS B ND1 1 
ATOM   28   C CD2 . HIS A 1 4   ? -14.098 -15.146 -15.568 1.00 28.01 ? 10  HIS B CD2 1 
ATOM   29   C CE1 . HIS A 1 4   ? -12.655 -16.755 -16.026 1.00 34.94 ? 10  HIS B CE1 1 
ATOM   30   N NE2 . HIS A 1 4   ? -13.772 -16.455 -15.341 1.00 32.98 ? 10  HIS B NE2 1 
ATOM   31   N N   . HIS A 1 5   ? -11.458 -10.216 -16.987 1.00 32.65 ? 11  HIS B N   1 
ATOM   32   C CA  . HIS A 1 5   ? -11.519 -8.831  -17.534 1.00 35.05 ? 11  HIS B CA  1 
ATOM   33   C C   . HIS A 1 5   ? -10.636 -8.659  -18.779 1.00 33.59 ? 11  HIS B C   1 
ATOM   34   O O   . HIS A 1 5   ? -11.074 -7.947  -19.707 1.00 33.18 ? 11  HIS B O   1 
ATOM   35   C CB  . HIS A 1 5   ? -11.156 -7.789  -16.454 1.00 43.12 ? 11  HIS B CB  1 
ATOM   36   C CG  . HIS A 1 5   ? -12.032 -7.858  -15.251 1.00 51.44 ? 11  HIS B CG  1 
ATOM   37   N ND1 . HIS A 1 5   ? -11.680 -8.591  -14.119 1.00 61.70 ? 11  HIS B ND1 1 
ATOM   38   C CD2 . HIS A 1 5   ? -13.248 -7.321  -14.998 1.00 54.92 ? 11  HIS B CD2 1 
ATOM   39   C CE1 . HIS A 1 5   ? -12.641 -8.490  -13.216 1.00 62.58 ? 11  HIS B CE1 1 
ATOM   40   N NE2 . HIS A 1 5   ? -13.620 -7.720  -13.734 1.00 61.18 ? 11  HIS B NE2 1 
ATOM   41   N N   . HIS A 1 6   ? -9.454  -9.296  -18.829 1.00 32.15 ? 12  HIS B N   1 
ATOM   42   C CA  . HIS A 1 6   ? -8.474  -9.152  -19.939 1.00 31.24 ? 12  HIS B CA  1 
ATOM   43   C C   . HIS A 1 6   ? -8.971  -9.788  -21.248 1.00 29.73 ? 12  HIS B C   1 
ATOM   44   O O   . HIS A 1 6   ? -8.318  -9.584  -22.277 1.00 30.21 ? 12  HIS B O   1 
ATOM   45   C CB  . HIS A 1 6   ? -7.101  -9.715  -19.530 1.00 37.99 ? 12  HIS B CB  1 
ATOM   46   C CG  . HIS A 1 6   ? -7.101  -11.148 -19.124 1.00 37.45 ? 12  HIS B CG  1 
ATOM   47   N ND1 . HIS A 1 6   ? -6.603  -12.152 -19.947 1.00 45.22 ? 12  HIS B ND1 1 
ATOM   48   C CD2 . HIS A 1 6   ? -7.494  -11.754 -17.982 1.00 39.93 ? 12  HIS B CD2 1 
ATOM   49   C CE1 . HIS A 1 6   ? -6.702  -13.317 -19.336 1.00 38.48 ? 12  HIS B CE1 1 
ATOM   50   N NE2 . HIS A 1 6   ? -7.249  -13.105 -18.130 1.00 45.28 ? 12  HIS B NE2 1 
ATOM   51   N N   . HIS A 1 7   ? -10.044 -10.591 -21.231 1.00 23.12 ? 13  HIS B N   1 
ATOM   52   C CA  . HIS A 1 7   ? -10.702 -11.128 -22.462 1.00 21.26 ? 13  HIS B CA  1 
ATOM   53   C C   . HIS A 1 7   ? -11.802 -10.194 -22.939 1.00 19.00 ? 13  HIS B C   1 
ATOM   54   O O   . HIS A 1 7   ? -12.639 -10.666 -23.719 1.00 16.96 ? 13  HIS B O   1 
ATOM   55   C CB  . HIS A 1 7   ? -11.264 -12.511 -22.193 1.00 20.28 ? 13  HIS B CB  1 
ATOM   56   C CG  . HIS A 1 7   ? -10.199 -13.471 -21.771 1.00 21.30 ? 13  HIS B CG  1 
ATOM   57   N ND1 . HIS A 1 7   ? -9.170  -13.825 -22.644 1.00 21.07 ? 13  HIS B ND1 1 
ATOM   58   C CD2 . HIS A 1 7   ? -10.037 -14.155 -20.623 1.00 22.28 ? 13  HIS B CD2 1 
ATOM   59   C CE1 . HIS A 1 7   ? -8.384  -14.678 -22.005 1.00 20.86 ? 13  HIS B CE1 1 
ATOM   60   N NE2 . HIS A 1 7   ? -8.868  -14.889 -20.778 1.00 24.22 ? 13  HIS B NE2 1 
ATOM   61   N N   . MET A 1 8   ? -11.859 -8.978  -22.414 1.00 19.33 ? 14  MET B N   1 
ATOM   62   C CA  . MET A 1 8   ? -12.887 -7.959  -22.761 1.00 21.60 ? 14  MET B CA  1 
ATOM   63   C C   . MET A 1 8   ? -12.995 -7.803  -24.278 1.00 20.07 ? 14  MET B C   1 
ATOM   64   O O   . MET A 1 8   ? -11.962 -7.661  -24.996 1.00 23.70 ? 14  MET B O   1 
ATOM   65   C CB  . MET A 1 8   ? -12.519 -6.605  -22.142 1.00 25.86 ? 14  MET B CB  1 
ATOM   66   C CG  . MET A 1 8   ? -13.555 -5.485  -22.307 1.00 33.01 ? 14  MET B CG  1 
ATOM   67   S SD  . MET A 1 8   ? -15.143 -5.731  -21.400 1.00 45.19 ? 14  MET B SD  1 
ATOM   68   C CE  . MET A 1 8   ? -14.763 -5.037  -19.795 1.00 37.89 ? 14  MET B CE  1 
ATOM   69   N N   . VAL A 1 9   ? -14.210 -7.811  -24.797 1.00 17.46 ? 15  VAL B N   1 
ATOM   70   C CA  . VAL A 1 9   ? -14.520 -7.579  -26.232 1.00 18.44 ? 15  VAL B CA  1 
ATOM   71   C C   . VAL A 1 9   ? -15.513 -6.404  -26.319 1.00 18.09 ? 15  VAL B C   1 
ATOM   72   O O   . VAL A 1 9   ? -16.363 -6.241  -25.398 1.00 18.54 ? 15  VAL B O   1 
ATOM   73   C CB  . VAL A 1 9   ? -15.060 -8.830  -26.947 1.00 19.83 ? 15  VAL B CB  1 
ATOM   74   C CG1 . VAL A 1 9   ? -13.963 -9.872  -27.068 1.00 22.97 ? 15  VAL B CG1 1 
ATOM   75   C CG2 . VAL A 1 9   ? -16.253 -9.453  -26.257 1.00 20.55 ? 15  VAL B CG2 1 
ATOM   76   N N   . HIS A 1 10  ? -15.429 -5.628  -27.393 1.00 18.22 ? 16  HIS B N   1 
ATOM   77   C CA  . HIS A 1 10  ? -16.316 -4.465  -27.619 1.00 17.68 ? 16  HIS B CA  1 
ATOM   78   C C   . HIS A 1 10  ? -17.549 -4.951  -28.378 1.00 18.29 ? 16  HIS B C   1 
ATOM   79   O O   . HIS A 1 10  ? -17.469 -5.292  -29.555 1.00 21.70 ? 16  HIS B O   1 
ATOM   80   C CB  . HIS A 1 10  ? -15.583 -3.375  -28.401 1.00 19.08 ? 16  HIS B CB  1 
ATOM   81   C CG  . HIS A 1 10  ? -16.351 -2.108  -28.590 1.00 23.31 ? 16  HIS B CG  1 
ATOM   82   N ND1 . HIS A 1 10  ? -16.447 -1.150  -27.612 1.00 28.21 ? 16  HIS B ND1 1 
ATOM   83   C CD2 . HIS A 1 10  ? -17.087 -1.669  -29.634 1.00 28.58 ? 16  HIS B CD2 1 
ATOM   84   C CE1 . HIS A 1 10  ? -17.178 -0.137  -28.057 1.00 24.85 ? 16  HIS B CE1 1 
ATOM   85   N NE2 . HIS A 1 10  ? -17.596 -0.442  -29.299 1.00 30.35 ? 16  HIS B NE2 1 
ATOM   86   N N   . ILE A 1 11  ? -18.658 -5.080  -27.669 1.00 14.60 ? 17  ILE B N   1 
ATOM   87   C CA  . ILE A 1 11  ? -19.902 -5.563  -28.292 1.00 15.31 ? 17  ILE B CA  1 
ATOM   88   C C   . ILE A 1 11  ? -20.710 -4.368  -28.821 1.00 15.02 ? 17  ILE B C   1 
ATOM   89   O O   . ILE A 1 11  ? -20.770 -3.357  -28.152 1.00 14.81 ? 17  ILE B O   1 
ATOM   90   C CB  . ILE A 1 11  ? -20.728 -6.383  -27.275 1.00 14.53 ? 17  ILE B CB  1 
ATOM   91   C CG1 . ILE A 1 11  ? -19.937 -7.598  -26.771 1.00 16.23 ? 17  ILE B CG1 1 
ATOM   92   C CG2 . ILE A 1 11  ? -22.063 -6.801  -27.882 1.00 14.23 ? 17  ILE B CG2 1 
ATOM   93   C CD1 . ILE A 1 11  ? -19.384 -8.500  -27.837 1.00 15.90 ? 17  ILE B CD1 1 
ATOM   94   N N   . THR A 1 12  ? -21.324 -4.555  -29.966 1.00 13.84 ? 18  THR B N   1 
ATOM   95   C CA  . THR A 1 12  ? -22.307 -3.574  -30.524 1.00 14.36 ? 18  THR B CA  1 
ATOM   96   C C   . THR A 1 12  ? -23.567 -4.332  -30.913 1.00 15.09 ? 18  THR B C   1 
ATOM   97   O O   . THR A 1 12  ? -23.522 -5.568  -31.195 1.00 15.48 ? 18  THR B O   1 
ATOM   98   C CB  . THR A 1 12  ? -21.743 -2.810  -31.719 1.00 17.35 ? 18  THR B CB  1 
ATOM   99   O OG1 . THR A 1 12  ? -21.387 -3.699  -32.746 1.00 17.94 ? 18  THR B OG1 1 
ATOM   100  C CG2 . THR A 1 12  ? -20.567 -1.924  -31.355 1.00 18.77 ? 18  THR B CG2 1 
ATOM   101  N N   . LEU A 1 13  ? -24.702 -3.630  -30.850 1.00 13.33 ? 19  LEU B N   1 
ATOM   102  C CA  . LEU A 1 13  ? -25.985 -4.277  -31.169 1.00 13.47 ? 19  LEU B CA  1 
ATOM   103  C C   . LEU A 1 13  ? -26.266 -4.285  -32.671 1.00 13.92 ? 19  LEU B C   1 
ATOM   104  O O   . LEU A 1 13  ? -25.975 -3.250  -33.345 1.00 14.96 ? 19  LEU B O   1 
ATOM   105  C CB  . LEU A 1 13  ? -27.078 -3.527  -30.429 1.00 13.63 ? 19  LEU B CB  1 
ATOM   106  C CG  . LEU A 1 13  ? -26.897 -3.602  -28.916 1.00 13.63 ? 19  LEU B CG  1 
ATOM   107  C CD1 . LEU A 1 13  ? -27.868 -2.705  -28.154 1.00 16.18 ? 19  LEU B CD1 1 
ATOM   108  C CD2 . LEU A 1 13  ? -27.004 -5.036  -28.394 1.00 15.24 ? 19  LEU B CD2 1 
ATOM   109  N N   . ASP A 1 14  ? -26.888 -5.324  -33.154 1.00 12.83 ? 20  ASP B N   1 
ATOM   110  C CA  . ASP A 1 14  ? -27.257 -5.499  -34.583 1.00 13.66 ? 20  ASP B CA  1 
ATOM   111  C C   . ASP A 1 14  ? -28.738 -5.093  -34.753 1.00 14.46 ? 20  ASP B C   1 
ATOM   112  O O   . ASP A 1 14  ? -29.635 -5.897  -34.456 1.00 13.23 ? 20  ASP B O   1 
ATOM   113  C CB  . ASP A 1 14  ? -26.979 -6.922  -35.072 1.00 13.17 ? 20  ASP B CB  1 
ATOM   114  C CG  . ASP A 1 14  ? -27.277 -7.194  -36.532 1.00 17.86 ? 20  ASP B CG  1 
ATOM   115  O OD1 . ASP A 1 14  ? -27.935 -6.329  -37.166 1.00 17.07 ? 20  ASP B OD1 1 
ATOM   116  O OD2 . ASP A 1 14  ? -26.923 -8.290  -37.028 1.00 17.41 ? 20  ASP B OD2 1 
ATOM   117  N N   A ARG A 1 15  ? -28.953 -3.869  -35.258 0.25 15.08 ? 21  ARG B N   1 
ATOM   118  N N   B ARG A 1 15  ? -28.969 -3.874  -35.254 0.25 15.33 ? 21  ARG B N   1 
ATOM   119  C CA  A ARG A 1 15  ? -30.282 -3.245  -35.535 0.25 16.19 ? 21  ARG B CA  1 
ATOM   120  C CA  B ARG A 1 15  ? -30.326 -3.287  -35.463 0.25 16.49 ? 21  ARG B CA  1 
ATOM   121  C C   A ARG A 1 15  ? -31.196 -4.159  -36.349 0.25 15.67 ? 21  ARG B C   1 
ATOM   122  C C   B ARG A 1 15  ? -31.207 -4.191  -36.329 0.25 15.10 ? 21  ARG B C   1 
ATOM   123  O O   A ARG A 1 15  ? -32.439 -4.056  -36.187 0.25 13.59 ? 21  ARG B O   1 
ATOM   124  O O   B ARG A 1 15  ? -32.447 -4.167  -36.140 0.25 11.86 ? 21  ARG B O   1 
ATOM   125  C CB  A ARG A 1 15  ? -30.111 -1.974  -36.377 0.25 17.15 ? 21  ARG B CB  1 
ATOM   126  C CB  B ARG A 1 15  ? -30.223 -1.918  -36.148 0.25 19.02 ? 21  ARG B CB  1 
ATOM   127  C CG  A ARG A 1 15  ? -29.271 -0.896  -35.714 0.25 18.99 ? 21  ARG B CG  1 
ATOM   128  C CG  B ARG A 1 15  ? -29.878 -0.776  -35.208 0.25 22.44 ? 21  ARG B CG  1 
ATOM   129  C CD  A ARG A 1 15  ? -29.209 0.371   -36.555 0.25 19.60 ? 21  ARG B CD  1 
ATOM   130  C CD  B ARG A 1 15  ? -28.451 -0.287  -35.384 0.25 25.66 ? 21  ARG B CD  1 
ATOM   131  N NE  A ARG A 1 15  ? -28.680 1.439   -35.733 0.25 20.60 ? 21  ARG B NE  1 
ATOM   132  N NE  B ARG A 1 15  ? -28.251 0.582   -36.545 0.25 28.31 ? 21  ARG B NE  1 
ATOM   133  C CZ  A ARG A 1 15  ? -29.392 2.047   -34.809 0.25 20.64 ? 21  ARG B CZ  1 
ATOM   134  C CZ  B ARG A 1 15  ? -27.756 0.198   -37.723 0.25 31.89 ? 21  ARG B CZ  1 
ATOM   135  N NH1 A ARG A 1 15  ? -30.658 1.714   -34.659 0.25 22.43 ? 21  ARG B NH1 1 
ATOM   136  N NH1 B ARG A 1 15  ? -27.401 -1.056  -37.940 0.25 34.93 ? 21  ARG B NH1 1 
ATOM   137  N NH2 A ARG A 1 15  ? -28.848 2.986   -34.065 0.25 21.67 ? 21  ARG B NH2 1 
ATOM   138  N NH2 B ARG A 1 15  ? -27.626 1.080   -38.696 0.25 33.86 ? 21  ARG B NH2 1 
ATOM   139  N N   . ASN A 1 16  ? -30.619 -4.950  -37.260 1.00 14.91 ? 22  ASN B N   1 
ATOM   140  C CA  . ASN A 1 16  ? -31.404 -5.794  -38.172 1.00 16.45 ? 22  ASN B CA  1 
ATOM   141  C C   . ASN A 1 16  ? -32.096 -6.934  -37.453 1.00 14.76 ? 22  ASN B C   1 
ATOM   142  O O   . ASN A 1 16  ? -33.089 -7.443  -37.955 1.00 14.05 ? 22  ASN B O   1 
ATOM   143  C CB  . ASN A 1 16  ? -30.561 -6.284  -39.350 1.00 19.68 ? 22  ASN B CB  1 
ATOM   144  C CG  . ASN A 1 16  ? -30.346 -5.175  -40.355 1.00 26.26 ? 22  ASN B CG  1 
ATOM   145  O OD1 . ASN A 1 16  ? -31.131 -4.226  -40.436 1.00 33.59 ? 22  ASN B OD1 1 
ATOM   146  N ND2 . ASN A 1 16  ? -29.261 -5.278  -41.092 1.00 37.89 ? 22  ASN B ND2 1 
ATOM   147  N N   . THR A 1 17  ? -31.562 -7.356  -36.285 1.00 12.43 ? 23  THR B N   1 
ATOM   148  C CA  . THR A 1 17  ? -32.105 -8.469  -35.497 1.00 12.33 ? 23  THR B CA  1 
ATOM   149  C C   . THR A 1 17  ? -33.141 -7.974  -34.480 1.00 11.53 ? 23  THR B C   1 
ATOM   150  O O   . THR A 1 17  ? -33.820 -8.801  -33.866 1.00 11.61 ? 23  THR B O   1 
ATOM   151  C CB  . THR A 1 17  ? -31.017 -9.253  -34.748 1.00 12.11 ? 23  THR B CB  1 
ATOM   152  O OG1 . THR A 1 17  ? -30.448 -8.445  -33.718 1.00 12.91 ? 23  THR B OG1 1 
ATOM   153  C CG2 . THR A 1 17  ? -30.007 -9.803  -35.747 1.00 13.16 ? 23  THR B CG2 1 
ATOM   154  N N   . ALA A 1 18  ? -33.204 -6.678  -34.239 1.00 11.69 ? 24  ALA B N   1 
ATOM   155  C CA  . ALA A 1 18  ? -34.015 -6.113  -33.126 1.00 11.32 ? 24  ALA B CA  1 
ATOM   156  C C   . ALA A 1 18  ? -35.504 -6.305  -33.385 1.00 12.43 ? 24  ALA B C   1 
ATOM   157  O O   . ALA A 1 18  ? -35.994 -6.022  -34.513 1.00 13.24 ? 24  ALA B O   1 
ATOM   158  C CB  . ALA A 1 18  ? -33.702 -4.662  -32.953 1.00 11.81 ? 24  ALA B CB  1 
ATOM   159  N N   . ASN A 1 19  ? -36.270 -6.619  -32.363 1.00 11.85 ? 25  ASN B N   1 
ATOM   160  C CA  . ASN A 1 19  ? -37.737 -6.428  -32.402 1.00 11.67 ? 25  ASN B CA  1 
ATOM   161  C C   . ASN A 1 19  ? -38.007 -4.989  -32.850 1.00 11.56 ? 25  ASN B C   1 
ATOM   162  O O   . ASN A 1 19  ? -37.297 -4.049  -32.488 1.00 11.10 ? 25  ASN B O   1 
ATOM   163  C CB  . ASN A 1 19  ? -38.260 -6.742  -31.018 1.00 12.32 ? 25  ASN B CB  1 
ATOM   164  C CG  . ASN A 1 19  ? -39.729 -6.489  -30.904 1.00 14.11 ? 25  ASN B CG  1 
ATOM   165  O OD1 . ASN A 1 19  ? -40.173 -5.377  -30.690 1.00 14.13 ? 25  ASN B OD1 1 
ATOM   166  N ND2 . ASN A 1 19  ? -40.478 -7.527  -31.074 1.00 18.07 ? 25  ASN B ND2 1 
ATOM   167  N N   . SER A 1 20  ? -39.070 -4.823  -33.633 1.00 11.26 ? 26  SER B N   1 
ATOM   168  C CA  . SER A 1 20  ? -39.439 -3.545  -34.269 1.00 11.94 ? 26  SER B CA  1 
ATOM   169  C C   . SER A 1 20  ? -39.828 -2.467  -33.264 1.00 12.05 ? 26  SER B C   1 
ATOM   170  O O   . SER A 1 20  ? -39.930 -1.322  -33.725 1.00 13.33 ? 26  SER B O   1 
ATOM   171  C CB  . SER A 1 20  ? -40.556 -3.768  -35.262 1.00 12.81 ? 26  SER B CB  1 
ATOM   172  O OG  . SER A 1 20  ? -41.685 -4.241  -34.566 1.00 16.84 ? 26  SER B OG  1 
ATOM   173  N N   . TRP A 1 21  ? -40.021 -2.742  -31.979 1.00 11.02 ? 27  TRP B N   1 
ATOM   174  C CA  . TRP A 1 21  ? -40.309 -1.715  -30.965 1.00 11.09 ? 27  TRP B CA  1 
ATOM   175  C C   . TRP A 1 21  ? -39.059 -1.213  -30.250 1.00 11.88 ? 27  TRP B C   1 
ATOM   176  O O   . TRP A 1 21  ? -39.175 -0.270  -29.458 1.00 12.32 ? 27  TRP B O   1 
ATOM   177  C CB  . TRP A 1 21  ? -41.303 -2.240  -29.966 1.00 12.36 ? 27  TRP B CB  1 
ATOM   178  C CG  . TRP A 1 21  ? -42.700 -2.351  -30.508 1.00 12.89 ? 27  TRP B CG  1 
ATOM   179  C CD1 . TRP A 1 21  ? -43.106 -2.916  -31.679 1.00 13.44 ? 27  TRP B CD1 1 
ATOM   180  C CD2 . TRP A 1 21  ? -43.884 -1.905  -29.847 1.00 14.30 ? 27  TRP B CD2 1 
ATOM   181  N NE1 . TRP A 1 21  ? -44.475 -2.806  -31.807 1.00 15.75 ? 27  TRP B NE1 1 
ATOM   182  C CE2 . TRP A 1 21  ? -44.973 -2.266  -30.670 1.00 13.98 ? 27  TRP B CE2 1 
ATOM   183  C CE3 . TRP A 1 21  ? -44.123 -1.296  -28.616 1.00 16.43 ? 27  TRP B CE3 1 
ATOM   184  C CZ2 . TRP A 1 21  ? -46.292 -1.953  -30.299 1.00 17.02 ? 27  TRP B CZ2 1 
ATOM   185  C CZ3 . TRP A 1 21  ? -45.434 -1.034  -28.233 1.00 18.10 ? 27  TRP B CZ3 1 
ATOM   186  C CH2 . TRP A 1 21  ? -46.489 -1.389  -29.062 1.00 19.02 ? 27  TRP B CH2 1 
ATOM   187  N N   . LEU A 1 22  ? -37.889 -1.810  -30.548 1.00 11.81 ? 28  LEU B N   1 
ATOM   188  C CA  . LEU A 1 22  ? -36.678 -1.394  -29.815 1.00 12.19 ? 28  LEU B CA  1 
ATOM   189  C C   . LEU A 1 22  ? -36.080 -0.132  -30.441 1.00 11.95 ? 28  LEU B C   1 
ATOM   190  O O   . LEU A 1 22  ? -36.092 0.057   -31.671 1.00 12.95 ? 28  LEU B O   1 
ATOM   191  C CB  . LEU A 1 22  ? -35.649 -2.531  -29.823 1.00 11.06 ? 28  LEU B CB  1 
ATOM   192  C CG  . LEU A 1 22  ? -36.077 -3.793  -29.093 1.00 11.94 ? 28  LEU B CG  1 
ATOM   193  C CD1 . LEU A 1 22  ? -34.955 -4.819  -29.123 1.00 12.12 ? 28  LEU B CD1 1 
ATOM   194  C CD2 . LEU A 1 22  ? -36.480 -3.549  -27.681 1.00 12.84 ? 28  LEU B CD2 1 
ATOM   195  N N   . ILE A 1 23  ? -35.444 0.631   -29.568 1.00 11.65 ? 29  ILE B N   1 
ATOM   196  C CA  . ILE A 1 23  ? -34.692 1.870   -29.916 1.00 13.18 ? 29  ILE B CA  1 
ATOM   197  C C   . ILE A 1 23  ? -33.243 1.652   -29.484 1.00 13.00 ? 29  ILE B C   1 
ATOM   198  O O   . ILE A 1 23  ? -32.968 1.492   -28.269 1.00 14.06 ? 29  ILE B O   1 
ATOM   199  C CB  . ILE A 1 23  ? -35.271 3.113   -29.269 1.00 13.97 ? 29  ILE B CB  1 
ATOM   200  C CG1 . ILE A 1 23  ? -36.757 3.369   -29.631 1.00 14.27 ? 29  ILE B CG1 1 
ATOM   201  C CG2 . ILE A 1 23  ? -34.405 4.326   -29.640 1.00 15.83 ? 29  ILE B CG2 1 
ATOM   202  C CD1 . ILE A 1 23  ? -37.434 4.419   -28.825 1.00 17.09 ? 29  ILE B CD1 1 
ATOM   203  N N   . ILE A 1 24  ? -32.361 1.598   -30.471 1.00 15.43 ? 30  ILE B N   1 
ATOM   204  C CA  . ILE A 1 24  ? -30.904 1.369   -30.259 1.00 15.07 ? 30  ILE B CA  1 
ATOM   205  C C   . ILE A 1 24  ? -30.194 2.692   -30.446 1.00 16.99 ? 30  ILE B C   1 
ATOM   206  O O   . ILE A 1 24  ? -30.474 3.429   -31.438 1.00 17.49 ? 30  ILE B O   1 
ATOM   207  C CB  . ILE A 1 24  ? -30.396 0.293   -31.200 1.00 15.91 ? 30  ILE B CB  1 
ATOM   208  C CG1 . ILE A 1 24  ? -31.011 -1.051  -30.832 1.00 18.68 ? 30  ILE B CG1 1 
ATOM   209  C CG2 . ILE A 1 24  ? -28.860 0.215   -31.168 1.00 16.82 ? 30  ILE B CG2 1 
ATOM   210  C CD1 . ILE A 1 24  ? -30.790 -2.082  -31.781 1.00 20.12 ? 30  ILE B CD1 1 
ATOM   211  N N   . SER A 1 25  ? -29.294 3.043   -29.560 1.00 15.58 ? 31  SER B N   1 
ATOM   212  C CA  . SER A 1 25  ? -28.578 4.319   -29.625 1.00 16.11 ? 31  SER B CA  1 
ATOM   213  C C   . SER A 1 25  ? -27.670 4.371   -30.859 1.00 14.70 ? 31  SER B C   1 
ATOM   214  O O   . SER A 1 25  ? -27.300 3.371   -31.425 1.00 15.40 ? 31  SER B O   1 
ATOM   215  C CB  . SER A 1 25  ? -27.836 4.491   -28.356 1.00 17.19 ? 31  SER B CB  1 
ATOM   216  O OG  . SER A 1 25  ? -26.882 3.437   -28.204 1.00 17.09 ? 31  SER B OG  1 
ATOM   217  N N   . LYS A 1 26  ? -27.271 5.610   -31.216 1.00 18.08 ? 32  LYS B N   1 
ATOM   218  C CA  . LYS A 1 26  ? -26.367 5.851   -32.366 1.00 19.21 ? 32  LYS B CA  1 
ATOM   219  C C   . LYS A 1 26  ? -25.104 5.000   -32.245 1.00 16.73 ? 32  LYS B C   1 
ATOM   220  O O   . LYS A 1 26  ? -24.656 4.513   -33.301 1.00 19.59 ? 32  LYS B O   1 
ATOM   221  C CB  . LYS A 1 26  ? -26.016 7.349   -32.450 1.00 20.83 ? 32  LYS B CB  1 
ATOM   222  C CG  . LYS A 1 26  ? -25.102 7.706   -33.602 1.00 25.14 ? 32  LYS B CG  1 
ATOM   223  C CD  . LYS A 1 26  ? -25.235 9.169   -33.939 1.00 25.54 ? 32  LYS B CD  1 
ATOM   224  C CE  . LYS A 1 26  ? -24.971 10.033  -32.735 1.00 30.98 ? 32  LYS B CE  1 
ATOM   225  N NZ  . LYS A 1 26  ? -25.354 11.421  -33.026 1.00 34.83 ? 32  LYS B NZ  1 
ATOM   226  N N   . ASP A 1 27  ? -24.525 4.931   -31.036 1.00 17.54 ? 33  ASP B N   1 
ATOM   227  C CA  . ASP A 1 27  ? -23.255 4.167   -30.841 1.00 16.73 ? 33  ASP B CA  1 
ATOM   228  C C   . ASP A 1 27  ? -23.490 2.645   -30.811 1.00 16.43 ? 33  ASP B C   1 
ATOM   229  O O   . ASP A 1 27  ? -22.512 1.879   -30.720 1.00 16.15 ? 33  ASP B O   1 
ATOM   230  C CB  . ASP A 1 27  ? -22.486 4.663   -29.616 1.00 17.98 ? 33  ASP B CB  1 
ATOM   231  C CG  . ASP A 1 27  ? -23.152 4.413   -28.277 1.00 17.81 ? 33  ASP B CG  1 
ATOM   232  O OD1 . ASP A 1 27  ? -24.268 3.781   -28.282 1.00 18.35 ? 33  ASP B OD1 1 
ATOM   233  O OD2 . ASP A 1 27  ? -22.528 4.796   -27.243 1.00 21.50 ? 33  ASP B OD2 1 
ATOM   234  N N   . ARG A 1 28  ? -24.727 2.194   -30.926 1.00 14.62 ? 34  ARG B N   1 
ATOM   235  C CA  . ARG A 1 28  ? -25.106 0.758   -30.933 1.00 14.75 ? 34  ARG B CA  1 
ATOM   236  C C   . ARG A 1 28  ? -24.683 0.097   -29.605 1.00 12.82 ? 34  ARG B C   1 
ATOM   237  O O   . ARG A 1 28  ? -24.520 -1.157  -29.588 1.00 13.50 ? 34  ARG B O   1 
ATOM   238  C CB  . ARG A 1 28  ? -24.604 0.065   -32.199 1.00 17.78 ? 34  ARG B CB  1 
ATOM   239  C CG  . ARG A 1 28  ? -25.242 0.659   -33.455 1.00 22.10 ? 34  ARG B CG  1 
ATOM   240  C CD  . ARG A 1 28  ? -24.933 -0.052  -34.726 1.00 28.78 ? 34  ARG B CD  1 
ATOM   241  N NE  . ARG A 1 28  ? -23.520 -0.216  -34.981 1.00 35.36 ? 34  ARG B NE  1 
ATOM   242  C CZ  . ARG A 1 28  ? -22.819 -1.370  -34.925 1.00 48.44 ? 34  ARG B CZ  1 
ATOM   243  N NH1 . ARG A 1 28  ? -23.382 -2.550  -34.623 1.00 42.11 ? 34  ARG B NH1 1 
ATOM   244  N NH2 . ARG A 1 28  ? -21.520 -1.323  -35.196 1.00 52.99 ? 34  ARG B NH2 1 
ATOM   245  N N   . ARG A 1 29  ? -24.627 0.840   -28.534 1.00 11.83 ? 35  ARG B N   1 
ATOM   246  C CA  . ARG A 1 29  ? -24.248 0.277   -27.218 1.00 12.77 ? 35  ARG B CA  1 
ATOM   247  C C   . ARG A 1 29  ? -25.385 0.282   -26.206 1.00 13.75 ? 35  ARG B C   1 
ATOM   248  O O   . ARG A 1 29  ? -25.215 -0.275  -25.118 1.00 14.51 ? 35  ARG B O   1 
ATOM   249  C CB  . ARG A 1 29  ? -23.073 1.047   -26.611 1.00 14.50 ? 35  ARG B CB  1 
ATOM   250  C CG  . ARG A 1 29  ? -21.841 0.972   -27.490 1.00 16.94 ? 35  ARG B CG  1 
ATOM   251  C CD  . ARG A 1 29  ? -20.992 -0.228  -27.251 1.00 18.32 ? 35  ARG B CD  1 
ATOM   252  N NE  . ARG A 1 29  ? -20.206 -0.036  -26.042 1.00 19.04 ? 35  ARG B NE  1 
ATOM   253  C CZ  . ARG A 1 29  ? -19.481 -0.992  -25.449 1.00 17.92 ? 35  ARG B CZ  1 
ATOM   254  N NH1 . ARG A 1 29  ? -19.428 -2.175  -25.995 1.00 17.59 ? 35  ARG B NH1 1 
ATOM   255  N NH2 . ARG A 1 29  ? -18.822 -0.751  -24.335 1.00 18.79 ? 35  ARG B NH2 1 
ATOM   256  N N   . GLN A 1 30  ? -26.532 0.885   -26.498 1.00 11.98 ? 36  GLN B N   1 
ATOM   257  C CA  . GLN A 1 30  ? -27.689 0.939   -25.600 1.00 12.79 ? 36  GLN B CA  1 
ATOM   258  C C   . GLN A 1 30  ? -28.954 0.563   -26.359 1.00 12.41 ? 36  GLN B C   1 
ATOM   259  O O   . GLN A 1 30  ? -29.089 0.839   -27.570 1.00 12.91 ? 36  GLN B O   1 
ATOM   260  C CB  . GLN A 1 30  ? -27.879 2.345   -25.034 1.00 15.49 ? 36  GLN B CB  1 
ATOM   261  C CG  . GLN A 1 30  ? -26.623 2.947   -24.454 1.00 19.64 ? 36  GLN B CG  1 
ATOM   262  C CD  . GLN A 1 30  ? -26.972 4.193   -23.669 1.00 22.83 ? 36  GLN B CD  1 
ATOM   263  O OE1 . GLN A 1 30  ? -28.127 4.439   -23.303 1.00 26.88 ? 36  GLN B OE1 1 
ATOM   264  N NE2 . GLN A 1 30  ? -25.970 4.998   -23.414 1.00 28.44 ? 36  GLN B NE2 1 
ATOM   265  N N   . VAL A 1 31  ? -29.889 -0.031  -25.644 1.00 11.53 ? 37  VAL B N   1 
ATOM   266  C CA  . VAL A 1 31  ? -31.192 -0.435  -26.223 1.00 11.44 ? 37  VAL B CA  1 
ATOM   267  C C   . VAL A 1 31  ? -32.271 -0.266  -25.163 1.00 12.04 ? 37  VAL B C   1 
ATOM   268  O O   . VAL A 1 31  ? -32.080 -0.668  -24.025 1.00 11.66 ? 37  VAL B O   1 
ATOM   269  C CB  . VAL A 1 31  ? -31.132 -1.830  -26.831 1.00 10.50 ? 37  VAL B CB  1 
ATOM   270  C CG1 . VAL A 1 31  ? -30.697 -2.913  -25.822 1.00 11.21 ? 37  VAL B CG1 1 
ATOM   271  C CG2 . VAL A 1 31  ? -32.451 -2.204  -27.485 1.00 12.19 ? 37  VAL B CG2 1 
ATOM   272  N N   . ARG A 1 32  ? -33.423 0.244   -25.564 1.00 11.98 ? 38  ARG B N   1 
ATOM   273  C CA  . ARG A 1 32  ? -34.620 0.281   -24.693 1.00 12.09 ? 38  ARG B CA  1 
ATOM   274  C C   . ARG A 1 32  ? -35.871 -0.009  -25.529 1.00 12.41 ? 38  ARG B C   1 
ATOM   275  O O   . ARG A 1 32  ? -35.865 0.089   -26.768 1.00 11.44 ? 38  ARG B O   1 
ATOM   276  C CB  . ARG A 1 32  ? -34.754 1.638   -23.999 1.00 13.62 ? 38  ARG B CB  1 
ATOM   277  C CG  . ARG A 1 32  ? -35.002 2.787   -24.960 1.00 16.70 ? 38  ARG B CG  1 
ATOM   278  C CD  . ARG A 1 32  ? -34.999 4.077   -24.145 1.00 18.92 ? 38  ARG B CD  1 
ATOM   279  N NE  . ARG A 1 32  ? -35.267 5.196   -25.015 1.00 23.49 ? 38  ARG B NE  1 
ATOM   280  C CZ  . ARG A 1 32  ? -36.443 5.680   -25.340 1.00 20.49 ? 38  ARG B CZ  1 
ATOM   281  N NH1 . ARG A 1 32  ? -37.569 5.154   -24.893 1.00 23.99 ? 38  ARG B NH1 1 
ATOM   282  N NH2 . ARG A 1 32  ? -36.460 6.741   -26.163 1.00 25.57 ? 38  ARG B NH2 1 
ATOM   283  N N   A MET A 1 33  ? -36.931 -0.320  -24.786 0.25 11.83 ? 39  MET B N   1 
ATOM   284  N N   B MET A 1 33  ? -36.948 -0.416  -24.866 0.25 12.84 ? 39  MET B N   1 
ATOM   285  C CA  A MET A 1 33  ? -38.298 -0.556  -25.312 0.25 13.01 ? 39  MET B CA  1 
ATOM   286  C CA  B MET A 1 33  ? -38.204 -0.703  -25.609 0.25 14.30 ? 39  MET B CA  1 
ATOM   287  C C   A MET A 1 33  ? -38.915 0.796   -25.684 0.25 13.12 ? 39  MET B C   1 
ATOM   288  C C   B MET A 1 33  ? -39.029 0.582   -25.679 0.25 13.98 ? 39  MET B C   1 
ATOM   289  O O   A MET A 1 33  ? -38.903 1.724   -24.865 0.25 13.38 ? 39  MET B O   1 
ATOM   290  O O   B MET A 1 33  ? -39.335 1.167   -24.600 0.25 12.93 ? 39  MET B O   1 
ATOM   291  C CB  A MET A 1 33  ? -39.134 -1.285  -24.253 0.25 13.32 ? 39  MET B CB  1 
ATOM   292  C CB  B MET A 1 33  ? -39.045 -1.822  -24.990 0.25 16.23 ? 39  MET B CB  1 
ATOM   293  C CG  A MET A 1 33  ? -40.501 -1.762  -24.753 0.25 14.25 ? 39  MET B CG  1 
ATOM   294  C CG  B MET A 1 33  ? -40.362 -2.048  -25.769 0.25 18.08 ? 39  MET B CG  1 
ATOM   295  S SD  A MET A 1 33  ? -40.370 -2.821  -26.255 0.25 16.16 ? 39  MET B SD  1 
ATOM   296  S SD  B MET A 1 33  ? -41.225 -3.505  -25.159 0.25 20.64 ? 39  MET B SD  1 
ATOM   297  C CE  A MET A 1 33  ? -41.925 -3.710  -26.232 0.25 15.78 ? 39  MET B CE  1 
ATOM   298  C CE  B MET A 1 33  ? -42.577 -3.569  -26.334 0.25 20.13 ? 39  MET B CE  1 
ATOM   299  N N   . GLY A 1 34  ? -39.362 0.940   -26.926 1.00 12.97 ? 40  GLY B N   1 
ATOM   300  C CA  . GLY A 1 34  ? -40.171 2.114   -27.299 1.00 15.13 ? 40  GLY B CA  1 
ATOM   301  C C   . GLY A 1 34  ? -41.615 1.920   -26.912 1.00 15.78 ? 40  GLY B C   1 
ATOM   302  O O   . GLY A 1 34  ? -42.025 0.825   -26.489 1.00 16.43 ? 40  GLY B O   1 
ATOM   303  N N   . ASP A 1 35  ? -42.375 3.026   -26.989 1.00 19.97 ? 41  ASP B N   1 
ATOM   304  C CA  . ASP A 1 35  ? -43.816 2.962   -26.579 1.00 22.43 ? 41  ASP B CA  1 
ATOM   305  C C   . ASP A 1 35  ? -44.671 2.597   -27.816 1.00 21.55 ? 41  ASP B C   1 
ATOM   306  O O   . ASP A 1 35  ? -45.911 2.462   -27.674 1.00 22.24 ? 41  ASP B O   1 
ATOM   307  C CB  . ASP A 1 35  ? -44.248 4.236   -25.811 1.00 28.15 ? 41  ASP B CB  1 
ATOM   308  C CG  . ASP A 1 35  ? -43.828 4.355   -24.323 1.00 38.97 ? 41  ASP B CG  1 
ATOM   309  O OD1 . ASP A 1 35  ? -43.614 3.306   -23.641 1.00 41.04 ? 41  ASP B OD1 1 
ATOM   310  O OD2 . ASP A 1 35  ? -43.753 5.509   -23.805 1.00 41.24 ? 41  ASP B OD2 1 
ATOM   311  N N   . THR A 1 36  ? -44.055 2.294   -28.949 1.00 16.78 ? 42  THR B N   1 
ATOM   312  C CA  . THR A 1 36  ? -44.758 2.015   -30.248 1.00 16.09 ? 42  THR B CA  1 
ATOM   313  C C   . THR A 1 36  ? -43.801 1.313   -31.241 1.00 14.33 ? 42  THR B C   1 
ATOM   314  O O   . THR A 1 36  ? -42.526 1.282   -31.049 1.00 12.93 ? 42  THR B O   1 
ATOM   315  C CB  . THR A 1 36  ? -45.322 3.339   -30.759 1.00 18.19 ? 42  THR B CB  1 
ATOM   316  O OG1 . THR A 1 36  ? -46.198 3.072   -31.827 1.00 19.66 ? 42  THR B OG1 1 
ATOM   317  C CG2 . THR A 1 36  ? -44.224 4.245   -31.272 1.00 19.42 ? 42  THR B CG2 1 
ATOM   318  N N   . HIS A 1 37  ? -44.282 0.836   -32.383 1.00 14.16 ? 43  HIS B N   1 
ATOM   319  C CA  . HIS A 1 37  ? -43.457 0.364   -33.524 1.00 13.29 ? 43  HIS B CA  1 
ATOM   320  C C   . HIS A 1 37  ? -42.519 1.463   -33.982 1.00 14.68 ? 43  HIS B C   1 
ATOM   321  O O   . HIS A 1 37  ? -42.978 2.623   -34.162 1.00 15.35 ? 43  HIS B O   1 
ATOM   322  C CB  . HIS A 1 37  ? -44.390 -0.146  -34.623 1.00 13.35 ? 43  HIS B CB  1 
ATOM   323  C CG  . HIS A 1 37  ? -43.767 -0.798  -35.796 1.00 12.97 ? 43  HIS B CG  1 
ATOM   324  N ND1 . HIS A 1 37  ? -42.997 -0.131  -36.736 1.00 12.98 ? 43  HIS B ND1 1 
ATOM   325  C CD2 . HIS A 1 37  ? -43.874 -2.073  -36.244 1.00 13.16 ? 43  HIS B CD2 1 
ATOM   326  C CE1 . HIS A 1 37  ? -42.660 -0.971  -37.675 1.00 13.02 ? 43  HIS B CE1 1 
ATOM   327  N NE2 . HIS A 1 37  ? -43.169 -2.215  -37.386 1.00 13.42 ? 43  HIS B NE2 1 
ATOM   328  N N   . GLN A 1 38  ? -41.249 1.142   -34.204 1.00 13.57 ? 44  GLN B N   1 
ATOM   329  C CA  . GLN A 1 38  ? -40.241 2.174   -34.485 1.00 13.78 ? 44  GLN B CA  1 
ATOM   330  C C   . GLN A 1 38  ? -40.047 2.426   -35.986 1.00 14.80 ? 44  GLN B C   1 
ATOM   331  O O   . GLN A 1 38  ? -39.025 3.034   -36.381 1.00 15.64 ? 44  GLN B O   1 
ATOM   332  C CB  . GLN A 1 38  ? -38.931 1.781   -33.809 1.00 13.53 ? 44  GLN B CB  1 
ATOM   333  C CG  . GLN A 1 38  ? -39.041 1.850   -32.326 1.00 13.46 ? 44  GLN B CG  1 
ATOM   334  C CD  . GLN A 1 38  ? -39.528 3.159   -31.784 1.00 13.43 ? 44  GLN B CD  1 
ATOM   335  O OE1 . GLN A 1 38  ? -40.472 3.287   -30.995 1.00 17.82 ? 44  GLN B OE1 1 
ATOM   336  N NE2 . GLN A 1 38  ? -38.920 4.222   -32.237 1.00 12.71 ? 44  GLN B NE2 1 
ATOM   337  N N   . ASN A 1 39  ? -40.995 2.018   -36.822 1.00 13.79 ? 45  ASN B N   1 
ATOM   338  C CA  . ASN A 1 39  ? -41.081 2.503   -38.226 1.00 13.01 ? 45  ASN B CA  1 
ATOM   339  C C   . ASN A 1 39  ? -39.989 1.888   -39.074 1.00 14.31 ? 45  ASN B C   1 
ATOM   340  O O   . ASN A 1 39  ? -39.527 2.488   -40.050 1.00 15.46 ? 45  ASN B O   1 
ATOM   341  C CB  . ASN A 1 39  ? -41.171 4.038   -38.346 1.00 13.24 ? 45  ASN B CB  1 
ATOM   342  C CG  . ASN A 1 39  ? -41.807 4.449   -39.669 1.00 13.45 ? 45  ASN B CG  1 
ATOM   343  O OD1 . ASN A 1 39  ? -42.665 3.766   -40.227 1.00 13.08 ? 45  ASN B OD1 1 
ATOM   344  N ND2 . ASN A 1 39  ? -41.355 5.575   -40.240 1.00 12.97 ? 45  ASN B ND2 1 
ATOM   345  N N   . VAL A 1 40  ? -39.625 0.648   -38.784 1.00 15.94 ? 46  VAL B N   1 
ATOM   346  C CA  . VAL A 1 40  ? -38.666 -0.156  -39.588 1.00 16.61 ? 46  VAL B CA  1 
ATOM   347  C C   . VAL A 1 40  ? -39.417 -1.219  -40.411 1.00 15.30 ? 46  VAL B C   1 
ATOM   348  O O   . VAL A 1 40  ? -40.476 -1.651  -39.993 1.00 16.15 ? 46  VAL B O   1 
ATOM   349  C CB  . VAL A 1 40  ? -37.609 -0.834  -38.688 1.00 16.98 ? 46  VAL B CB  1 
ATOM   350  C CG1 . VAL A 1 40  ? -36.679 0.183   -38.037 1.00 20.39 ? 46  VAL B CG1 1 
ATOM   351  C CG2 . VAL A 1 40  ? -38.214 -1.740  -37.627 1.00 18.28 ? 46  VAL B CG2 1 
ATOM   352  N N   . SER A 1 41  ? -38.848 -1.659  -41.528 1.00 17.30 ? 47  SER B N   1 
ATOM   353  C CA  . SER A 1 41  ? -39.381 -2.799  -42.290 1.00 18.41 ? 47  SER B CA  1 
ATOM   354  C C   . SER A 1 41  ? -39.178 -4.114  -41.531 1.00 17.09 ? 47  SER B C   1 
ATOM   355  O O   . SER A 1 41  ? -38.245 -4.227  -40.730 1.00 16.51 ? 47  SER B O   1 
ATOM   356  C CB  . SER A 1 41  ? -38.780 -2.875  -43.680 1.00 20.63 ? 47  SER B CB  1 
ATOM   357  O OG  . SER A 1 41  ? -37.385 -3.032  -43.616 1.00 22.80 ? 47  SER B OG  1 
ATOM   358  N N   . ASP A 1 42  ? -40.021 -5.095  -41.765 1.00 17.79 ? 48  ASP B N   1 
ATOM   359  C CA  . ASP A 1 42  ? -39.892 -6.446  -41.172 1.00 16.57 ? 48  ASP B CA  1 
ATOM   360  C C   . ASP A 1 42  ? -38.840 -7.181  -41.993 1.00 18.82 ? 48  ASP B C   1 
ATOM   361  O O   . ASP A 1 42  ? -38.569 -6.826  -43.165 1.00 18.48 ? 48  ASP B O   1 
ATOM   362  C CB  . ASP A 1 42  ? -41.207 -7.229  -41.107 1.00 17.99 ? 48  ASP B CB  1 
ATOM   363  C CG  . ASP A 1 42  ? -41.281 -8.261  -39.972 1.00 20.87 ? 48  ASP B CG  1 
ATOM   364  O OD1 . ASP A 1 42  ? -40.271 -8.433  -39.246 1.00 16.78 ? 48  ASP B OD1 1 
ATOM   365  O OD2 . ASP A 1 42  ? -42.403 -8.835  -39.695 1.00 23.03 ? 48  ASP B OD2 1 
ATOM   366  N N   . ASN A 1 43  ? -38.225 -8.188  -41.374 1.00 16.32 ? 49  ASN B N   1 
ATOM   367  C CA  . ASN A 1 43  ? -37.223 -9.050  -42.040 1.00 16.95 ? 49  ASN B CA  1 
ATOM   368  C C   . ASN A 1 43  ? -37.188 -10.362 -41.263 1.00 16.91 ? 49  ASN B C   1 
ATOM   369  O O   . ASN A 1 43  ? -37.774 -10.467 -40.165 1.00 17.27 ? 49  ASN B O   1 
ATOM   370  C CB  . ASN A 1 43  ? -35.879 -8.375  -42.223 1.00 16.48 ? 49  ASN B CB  1 
ATOM   371  C CG  . ASN A 1 43  ? -35.118 -8.186  -40.926 1.00 16.72 ? 49  ASN B CG  1 
ATOM   372  O OD1 . ASN A 1 43  ? -34.971 -9.166  -40.178 1.00 18.18 ? 49  ASN B OD1 1 
ATOM   373  N ND2 . ASN A 1 43  ? -34.727 -7.003  -40.596 1.00 16.05 ? 49  ASN B ND2 1 
ATOM   374  N N   . LYS A 1 44  ? -36.573 -11.372 -41.844 1.00 18.57 ? 50  LYS B N   1 
ATOM   375  C CA  . LYS A 1 44  ? -36.605 -12.717 -41.242 1.00 19.25 ? 50  LYS B CA  1 
ATOM   376  C C   . LYS A 1 44  ? -35.705 -12.804 -39.993 1.00 17.09 ? 50  LYS B C   1 
ATOM   377  O O   . LYS A 1 44  ? -35.904 -13.765 -39.247 1.00 18.14 ? 50  LYS B O   1 
ATOM   378  C CB  . LYS A 1 44  ? -36.115 -13.753 -42.273 1.00 23.54 ? 50  LYS B CB  1 
ATOM   379  C CG  . LYS A 1 44  ? -34.660 -13.584 -42.649 1.00 30.01 ? 50  LYS B CG  1 
ATOM   380  C CD  . LYS A 1 44  ? -34.186 -14.307 -43.892 1.00 41.08 ? 50  LYS B CD  1 
ATOM   381  C CE  . LYS A 1 44  ? -32.674 -14.368 -43.927 1.00 43.51 ? 50  LYS B CE  1 
ATOM   382  N NZ  . LYS A 1 44  ? -32.220 -15.461 -44.816 1.00 51.62 ? 50  LYS B NZ  1 
ATOM   383  N N   . GLU A 1 45  ? -34.790 -11.863 -39.798 1.00 15.33 ? 51  GLU B N   1 
ATOM   384  C CA  . GLU A 1 45  ? -33.879 -11.851 -38.611 1.00 15.56 ? 51  GLU B CA  1 
ATOM   385  C C   . GLU A 1 45  ? -34.582 -11.302 -37.362 1.00 15.53 ? 51  GLU B C   1 
ATOM   386  O O   . GLU A 1 45  ? -34.149 -11.663 -36.241 1.00 15.74 ? 51  GLU B O   1 
ATOM   387  C CB  . GLU A 1 45  ? -32.660 -11.009 -38.882 1.00 18.02 ? 51  GLU B CB  1 
ATOM   388  C CG  . GLU A 1 45  ? -31.803 -11.486 -40.050 1.00 22.23 ? 51  GLU B CG  1 
ATOM   389  C CD  . GLU A 1 45  ? -30.629 -10.519 -40.213 1.00 29.25 ? 51  GLU B CD  1 
ATOM   390  O OE1 . GLU A 1 45  ? -30.609 -9.739  -41.224 1.00 38.29 ? 51  GLU B OE1 1 
ATOM   391  O OE2 . GLU A 1 45  ? -29.771 -10.452 -39.315 1.00 33.41 ? 51  GLU B OE2 1 
ATOM   392  N N   . ARG A 1 46  ? -35.621 -10.481 -37.466 1.00 13.92 ? 52  ARG B N   1 
ATOM   393  C CA  . ARG A 1 46  ? -36.131 -9.771  -36.272 1.00 13.14 ? 52  ARG B CA  1 
ATOM   394  C C   . ARG A 1 46  ? -36.847 -10.707 -35.320 1.00 12.75 ? 52  ARG B C   1 
ATOM   395  O O   . ARG A 1 46  ? -37.730 -11.517 -35.698 1.00 13.78 ? 52  ARG B O   1 
ATOM   396  C CB  . ARG A 1 46  ? -37.125 -8.672  -36.665 1.00 12.57 ? 52  ARG B CB  1 
ATOM   397  C CG  . ARG A 1 46  ? -36.535 -7.549  -37.482 1.00 13.91 ? 52  ARG B CG  1 
ATOM   398  C CD  . ARG A 1 46  ? -37.457 -6.295  -37.423 1.00 13.09 ? 52  ARG B CD  1 
ATOM   399  N NE  . ARG A 1 46  ? -36.941 -5.274  -38.306 1.00 14.69 ? 52  ARG B NE  1 
ATOM   400  C CZ  . ARG A 1 46  ? -35.845 -4.561  -38.099 1.00 14.14 ? 52  ARG B CZ  1 
ATOM   401  N NH1 . ARG A 1 46  ? -35.210 -4.601  -36.928 1.00 13.80 ? 52  ARG B NH1 1 
ATOM   402  N NH2 . ARG A 1 46  ? -35.361 -3.760  -39.048 1.00 16.41 ? 52  ARG B NH2 1 
ATOM   403  N N   . PHE A 1 47  ? -36.541 -10.622 -34.031 1.00 12.00 ? 53  PHE B N   1 
ATOM   404  C CA  . PHE A 1 47  ? -37.351 -11.330 -33.034 1.00 11.92 ? 53  PHE B CA  1 
ATOM   405  C C   . PHE A 1 47  ? -38.774 -10.720 -33.027 1.00 14.32 ? 53  PHE B C   1 
ATOM   406  O O   . PHE A 1 47  ? -38.920 -9.526  -32.758 1.00 14.15 ? 53  PHE B O   1 
ATOM   407  C CB  . PHE A 1 47  ? -36.747 -11.243 -31.635 1.00 11.58 ? 53  PHE B CB  1 
ATOM   408  C CG  . PHE A 1 47  ? -35.494 -12.089 -31.476 1.00 11.03 ? 53  PHE B CG  1 
ATOM   409  C CD1 . PHE A 1 47  ? -35.616 -13.456 -31.243 1.00 11.46 ? 53  PHE B CD1 1 
ATOM   410  C CD2 . PHE A 1 47  ? -34.222 -11.541 -31.578 1.00 11.69 ? 53  PHE B CD2 1 
ATOM   411  C CE1 . PHE A 1 47  ? -34.487 -14.264 -31.124 1.00 11.99 ? 53  PHE B CE1 1 
ATOM   412  C CE2 . PHE A 1 47  ? -33.098 -12.361 -31.423 1.00 11.85 ? 53  PHE B CE2 1 
ATOM   413  C CZ  . PHE A 1 47  ? -33.250 -13.717 -31.210 1.00 10.61 ? 53  PHE B CZ  1 
ATOM   414  N N   . SER A 1 48  ? -39.794 -11.516 -33.285 1.00 14.67 ? 54  SER B N   1 
ATOM   415  C CA  . SER A 1 48  ? -41.176 -10.971 -33.460 1.00 16.42 ? 54  SER B CA  1 
ATOM   416  C C   . SER A 1 48  ? -41.934 -10.882 -32.151 1.00 15.65 ? 54  SER B C   1 
ATOM   417  O O   . SER A 1 48  ? -42.699 -9.903  -31.994 1.00 18.12 ? 54  SER B O   1 
ATOM   418  C CB  . SER A 1 48  ? -41.915 -11.834 -34.475 1.00 16.41 ? 54  SER B CB  1 
ATOM   419  O OG  . SER A 1 48  ? -42.075 -13.165 -34.041 1.00 15.80 ? 54  SER B OG  1 
ATOM   420  N N   . ASN A 1 49  ? -41.802 -11.804 -31.228 1.00 13.89 ? 55  ASN B N   1 
ATOM   421  C CA  . ASN A 1 49  ? -42.740 -11.956 -30.085 1.00 14.89 ? 55  ASN B CA  1 
ATOM   422  C C   . ASN A 1 49  ? -42.242 -11.255 -28.832 1.00 14.16 ? 55  ASN B C   1 
ATOM   423  O O   . ASN A 1 49  ? -43.024 -11.103 -27.872 1.00 15.87 ? 55  ASN B O   1 
ATOM   424  C CB  . ASN A 1 49  ? -43.053 -13.408 -29.765 1.00 16.18 ? 55  ASN B CB  1 
ATOM   425  C CG  . ASN A 1 49  ? -43.968 -14.062 -30.798 1.00 19.11 ? 55  ASN B CG  1 
ATOM   426  O OD1 . ASN A 1 49  ? -43.781 -13.894 -31.999 1.00 21.36 ? 55  ASN B OD1 1 
ATOM   427  N ND2 . ASN A 1 49  ? -44.950 -14.792 -30.295 1.00 24.22 ? 55  ASN B ND2 1 
ATOM   428  N N   . TYR A 1 50  ? -40.938 -10.966 -28.745 1.00 12.97 ? 56  TYR B N   1 
ATOM   429  C CA  . TYR A 1 50  ? -40.333 -10.487 -27.484 1.00 11.81 ? 56  TYR B CA  1 
ATOM   430  C C   . TYR A 1 50  ? -39.374 -9.351  -27.811 1.00 11.21 ? 56  TYR B C   1 
ATOM   431  O O   . TYR A 1 50  ? -38.812 -9.264  -28.916 1.00 11.61 ? 56  TYR B O   1 
ATOM   432  C CB  . TYR A 1 50  ? -39.549 -11.622 -26.809 1.00 12.53 ? 56  TYR B CB  1 
ATOM   433  C CG  . TYR A 1 50  ? -40.246 -12.959 -26.736 1.00 13.34 ? 56  TYR B CG  1 
ATOM   434  C CD1 . TYR A 1 50  ? -41.255 -13.144 -25.806 1.00 15.53 ? 56  TYR B CD1 1 
ATOM   435  C CD2 . TYR A 1 50  ? -39.954 -14.014 -27.594 1.00 14.81 ? 56  TYR B CD2 1 
ATOM   436  C CE1 . TYR A 1 50  ? -41.939 -14.355 -25.715 1.00 16.87 ? 56  TYR B CE1 1 
ATOM   437  C CE2 . TYR A 1 50  ? -40.641 -15.217 -27.534 1.00 15.06 ? 56  TYR B CE2 1 
ATOM   438  C CZ  . TYR A 1 50  ? -41.612 -15.392 -26.570 1.00 15.66 ? 56  TYR B CZ  1 
ATOM   439  O OH  . TYR A 1 50  ? -42.230 -16.617 -26.507 1.00 17.52 ? 56  TYR B OH  1 
ATOM   440  N N   . PRO A 1 51  ? -39.047 -8.494  -26.812 1.00 10.90 ? 57  PRO B N   1 
ATOM   441  C CA  . PRO A 1 51  ? -38.188 -7.338  -27.047 1.00 11.15 ? 57  PRO B CA  1 
ATOM   442  C C   . PRO A 1 51  ? -36.673 -7.646  -27.035 1.00 9.94  ? 57  PRO B C   1 
ATOM   443  O O   . PRO A 1 51  ? -35.913 -7.135  -26.227 1.00 10.61 ? 57  PRO B O   1 
ATOM   444  C CB  . PRO A 1 51  ? -38.590 -6.344  -25.918 1.00 12.36 ? 57  PRO B CB  1 
ATOM   445  C CG  . PRO A 1 51  ? -39.787 -6.961  -25.255 1.00 14.05 ? 57  PRO B CG  1 
ATOM   446  C CD  . PRO A 1 51  ? -39.720 -8.419  -25.512 1.00 11.80 ? 57  PRO B CD  1 
ATOM   447  N N   . MET A 1 52  ? -36.289 -8.538  -27.966 1.00 10.05 ? 58  MET B N   1 
ATOM   448  C CA  . MET A 1 52  ? -34.953 -9.153  -28.039 1.00 9.29  ? 58  MET B CA  1 
ATOM   449  C C   . MET A 1 52  ? -34.138 -8.567  -29.192 1.00 10.17 ? 58  MET B C   1 
ATOM   450  O O   . MET A 1 52  ? -34.663 -8.059  -30.225 1.00 10.33 ? 58  MET B O   1 
ATOM   451  C CB  . MET A 1 52  ? -35.082 -10.656 -28.213 1.00 10.12 ? 58  MET B CB  1 
ATOM   452  C CG  . MET A 1 52  ? -35.632 -11.350 -27.021 1.00 10.33 ? 58  MET B CG  1 
ATOM   453  S SD  . MET A 1 52  ? -36.125 -13.041 -27.451 1.00 11.64 ? 58  MET B SD  1 
ATOM   454  C CE  . MET A 1 52  ? -36.711 -13.689 -25.896 1.00 13.03 ? 58  MET B CE  1 
ATOM   455  N N   . VAL A 1 53  ? -32.817 -8.627  -29.034 1.00 10.01 ? 59  VAL B N   1 
ATOM   456  C CA  . VAL A 1 53  ? -31.852 -8.147  -30.053 1.00 10.15 ? 59  VAL B CA  1 
ATOM   457  C C   . VAL A 1 53  ? -30.552 -8.927  -29.849 1.00 10.40 ? 59  VAL B C   1 
ATOM   458  O O   . VAL A 1 53  ? -30.237 -9.336  -28.703 1.00 10.72 ? 59  VAL B O   1 
ATOM   459  C CB  . VAL A 1 53  ? -31.653 -6.618  -29.996 1.00 10.59 ? 59  VAL B CB  1 
ATOM   460  C CG1 . VAL A 1 53  ? -31.114 -6.154  -28.665 1.00 11.00 ? 59  VAL B CG1 1 
ATOM   461  C CG2 . VAL A 1 53  ? -30.789 -6.111  -31.159 1.00 10.94 ? 59  VAL B CG2 1 
ATOM   462  N N   . LEU A 1 54  ? -29.795 -9.132  -30.915 1.00 9.99  ? 60  LEU B N   1 
ATOM   463  C CA  . LEU A 1 54  ? -28.465 -9.775  -30.837 1.00 10.22 ? 60  LEU B CA  1 
ATOM   464  C C   . LEU A 1 54  ? -27.329 -8.766  -30.951 1.00 10.91 ? 60  LEU B C   1 
ATOM   465  O O   . LEU A 1 54  ? -27.459 -7.705  -31.652 1.00 12.00 ? 60  LEU B O   1 
ATOM   466  C CB  . LEU A 1 54  ? -28.304 -10.807 -31.957 1.00 11.37 ? 60  LEU B CB  1 
ATOM   467  C CG  . LEU A 1 54  ? -29.365 -11.891 -32.004 1.00 11.25 ? 60  LEU B CG  1 
ATOM   468  C CD1 . LEU A 1 54  ? -29.097 -12.995 -33.024 1.00 13.14 ? 60  LEU B CD1 1 
ATOM   469  C CD2 . LEU A 1 54  ? -29.558 -12.526 -30.646 1.00 11.64 ? 60  LEU B CD2 1 
ATOM   470  N N   . GLY A 1 55  ? -26.176 -9.113  -30.384 1.00 10.88 ? 61  GLY B N   1 
ATOM   471  C CA  . GLY A 1 55  ? -24.919 -8.430  -30.773 1.00 11.44 ? 61  GLY B CA  1 
ATOM   472  C C   . GLY A 1 55  ? -24.508 -8.746  -32.205 1.00 11.16 ? 61  GLY B C   1 
ATOM   473  O O   . GLY A 1 55  ? -24.829 -9.805  -32.700 1.00 11.81 ? 61  GLY B O   1 
ATOM   474  N N   . ALA A 1 56  ? -23.757 -7.853  -32.809 1.00 12.79 ? 62  ALA B N   1 
ATOM   475  C CA  . ALA A 1 56  ? -23.257 -8.050  -34.184 1.00 14.50 ? 62  ALA B CA  1 
ATOM   476  C C   . ALA A 1 56  ? -22.133 -9.090  -34.216 1.00 14.73 ? 62  ALA B C   1 
ATOM   477  O O   . ALA A 1 56  ? -21.978 -9.785  -35.244 1.00 17.91 ? 62  ALA B O   1 
ATOM   478  C CB  . ALA A 1 56  ? -22.787 -6.717  -34.693 1.00 15.82 ? 62  ALA B CB  1 
ATOM   479  N N   . GLN A 1 57  ? -21.403 -9.213  -33.118 1.00 13.97 ? 63  GLN B N   1 
ATOM   480  C CA  . GLN A 1 57  ? -20.188 -10.063 -33.112 1.00 14.58 ? 63  GLN B CA  1 
ATOM   481  C C   . GLN A 1 57  ? -20.614 -11.533 -33.119 1.00 15.55 ? 63  GLN B C   1 
ATOM   482  O O   . GLN A 1 57  ? -21.628 -11.917 -32.488 1.00 15.84 ? 63  GLN B O   1 
ATOM   483  C CB  . GLN A 1 57  ? -19.324 -9.703  -31.896 1.00 16.58 ? 63  GLN B CB  1 
ATOM   484  C CG  . GLN A 1 57  ? -18.653 -8.340  -31.944 1.00 18.10 ? 63  GLN B CG  1 
ATOM   485  C CD  . GLN A 1 57  ? -19.621 -7.176  -31.834 1.00 17.53 ? 63  GLN B CD  1 
ATOM   486  O OE1 . GLN A 1 57  ? -20.583 -7.247  -31.081 1.00 16.58 ? 63  GLN B OE1 1 
ATOM   487  N NE2 . GLN A 1 57  ? -19.372 -6.088  -32.523 1.00 19.43 ? 63  GLN B NE2 1 
ATOM   488  N N   . ARG A 1 58  ? -19.867 -12.381 -33.821 1.00 15.91 ? 64  ARG B N   1 
ATOM   489  C CA  . ARG A 1 58  ? -20.017 -13.840 -33.827 1.00 16.02 ? 64  ARG B CA  1 
ATOM   490  C C   . ARG A 1 58  ? -18.745 -14.482 -33.291 1.00 14.47 ? 64  ARG B C   1 
ATOM   491  O O   . ARG A 1 58  ? -17.632 -14.044 -33.642 1.00 17.54 ? 64  ARG B O   1 
ATOM   492  C CB  . ARG A 1 58  ? -20.162 -14.425 -35.248 1.00 19.45 ? 64  ARG B CB  1 
ATOM   493  C CG  . ARG A 1 58  ? -21.516 -14.261 -35.941 1.00 29.43 ? 64  ARG B CG  1 
ATOM   494  C CD  . ARG A 1 58  ? -22.122 -12.895 -35.722 1.00 29.16 ? 64  ARG B CD  1 
ATOM   495  N NE  . ARG A 1 58  ? -22.939 -12.092 -36.640 1.00 31.62 ? 64  ARG B NE  1 
ATOM   496  C CZ  . ARG A 1 58  ? -23.652 -12.473 -37.700 1.00 30.46 ? 64  ARG B CZ  1 
ATOM   497  N NH1 . ARG A 1 58  ? -24.338 -11.547 -38.356 1.00 31.99 ? 64  ARG B NH1 1 
ATOM   498  N NH2 . ARG A 1 58  ? -23.694 -13.727 -38.117 1.00 29.93 ? 64  ARG B NH2 1 
ATOM   499  N N   . PHE A 1 59  ? -18.906 -15.413 -32.379 1.00 13.66 ? 65  PHE B N   1 
ATOM   500  C CA  . PHE A 1 59  ? -17.755 -16.095 -31.726 1.00 13.77 ? 65  PHE B CA  1 
ATOM   501  C C   . PHE A 1 59  ? -17.808 -17.592 -32.020 1.00 12.80 ? 65  PHE B C   1 
ATOM   502  O O   . PHE A 1 59  ? -18.839 -18.239 -31.817 1.00 12.90 ? 65  PHE B O   1 
ATOM   503  C CB  . PHE A 1 59  ? -17.829 -15.855 -30.204 1.00 14.79 ? 65  PHE B CB  1 
ATOM   504  C CG  . PHE A 1 59  ? -17.847 -14.388 -29.806 1.00 16.56 ? 65  PHE B CG  1 
ATOM   505  C CD1 . PHE A 1 59  ? -16.849 -13.553 -30.283 1.00 19.70 ? 65  PHE B CD1 1 
ATOM   506  C CD2 . PHE A 1 59  ? -18.841 -13.833 -29.041 1.00 23.95 ? 65  PHE B CD2 1 
ATOM   507  C CE1 . PHE A 1 59  ? -16.789 -12.197 -29.991 1.00 21.84 ? 65  PHE B CE1 1 
ATOM   508  C CE2 . PHE A 1 59  ? -18.790 -12.468 -28.736 1.00 18.89 ? 65  PHE B CE2 1 
ATOM   509  C CZ  . PHE A 1 59  ? -17.799 -11.670 -29.245 1.00 19.93 ? 65  PHE B CZ  1 
ATOM   510  N N   A SER A 1 60  ? -16.687 -18.168 -32.481 0.25 13.74 ? 66  SER B N   1 
ATOM   511  N N   B SER A 1 60  ? -16.683 -18.160 -32.484 0.25 12.89 ? 66  SER B N   1 
ATOM   512  C CA  A SER A 1 60  ? -16.589 -19.621 -32.792 0.25 14.72 ? 66  SER B CA  1 
ATOM   513  C CA  B SER A 1 60  ? -16.542 -19.606 -32.812 0.25 13.30 ? 66  SER B CA  1 
ATOM   514  C C   A SER A 1 60  ? -15.364 -20.257 -32.111 0.25 14.50 ? 66  SER B C   1 
ATOM   515  C C   B SER A 1 60  ? -15.285 -20.192 -32.169 0.25 13.72 ? 66  SER B C   1 
ATOM   516  O O   A SER A 1 60  ? -15.220 -21.489 -32.212 0.25 14.36 ? 66  SER B O   1 
ATOM   517  O O   B SER A 1 60  ? -14.878 -21.282 -32.577 0.25 13.02 ? 66  SER B O   1 
ATOM   518  C CB  A SER A 1 60  ? -16.634 -19.862 -34.294 0.25 15.70 ? 66  SER B CB  1 
ATOM   519  C CB  B SER A 1 60  ? -16.473 -19.822 -34.289 0.25 13.17 ? 66  SER B CB  1 
ATOM   520  O OG  A SER A 1 60  ? -17.977 -19.710 -34.793 0.25 17.82 ? 66  SER B OG  1 
ATOM   521  O OG  B SER A 1 60  ? -15.409 -19.071 -34.803 0.25 13.40 ? 66  SER B OG  1 
ATOM   522  N N   A SER A 1 61  ? -14.572 -19.469 -31.374 0.25 13.64 ? 67  SER B N   1 
ATOM   523  N N   B SER A 1 61  ? -14.673 -19.481 -31.231 0.25 14.19 ? 67  SER B N   1 
ATOM   524  C CA  A SER A 1 61  ? -13.388 -19.944 -30.615 0.25 14.31 ? 67  SER B CA  1 
ATOM   525  C CA  B SER A 1 61  ? -13.418 -19.926 -30.598 0.25 15.69 ? 67  SER B CA  1 
ATOM   526  C C   A SER A 1 61  ? -13.072 -18.972 -29.479 0.25 14.93 ? 67  SER B C   1 
ATOM   527  C C   B SER A 1 61  ? -12.988 -18.918 -29.540 0.25 15.61 ? 67  SER B C   1 
ATOM   528  O O   A SER A 1 61  ? -13.664 -17.894 -29.458 0.25 15.20 ? 67  SER B O   1 
ATOM   529  O O   B SER A 1 61  ? -13.392 -17.744 -29.656 0.25 15.22 ? 67  SER B O   1 
ATOM   530  C CB  A SER A 1 61  ? -12.181 -20.077 -31.529 0.25 14.47 ? 67  SER B CB  1 
ATOM   531  C CB  B SER A 1 61  ? -12.357 -20.082 -31.662 0.25 17.49 ? 67  SER B CB  1 
ATOM   532  O OG  A SER A 1 61  ? -11.726 -18.803 -31.946 0.25 13.72 ? 67  SER B OG  1 
ATOM   533  O OG  B SER A 1 61  ? -11.134 -20.467 -31.073 0.25 19.88 ? 67  SER B OG  1 
ATOM   534  N N   . GLY A 1 62  ? -12.157 -19.352 -28.590 1.00 16.19 ? 68  GLY B N   1 
ATOM   535  C CA  . GLY A 1 62  ? -11.534 -18.409 -27.653 1.00 17.32 ? 68  GLY B CA  1 
ATOM   536  C C   . GLY A 1 62  ? -12.386 -18.087 -26.432 1.00 14.05 ? 68  GLY B C   1 
ATOM   537  O O   . GLY A 1 62  ? -13.393 -18.748 -26.160 1.00 15.41 ? 68  GLY B O   1 
ATOM   538  N N   . LYS A 1 63  ? -11.888 -17.087 -25.730 1.00 14.26 ? 69  LYS B N   1 
ATOM   539  C CA  . LYS A 1 63  ? -12.463 -16.606 -24.486 1.00 14.52 ? 69  LYS B CA  1 
ATOM   540  C C   . LYS A 1 63  ? -12.895 -15.165 -24.741 1.00 14.67 ? 69  LYS B C   1 
ATOM   541  O O   . LYS A 1 63  ? -12.100 -14.337 -25.216 1.00 16.20 ? 69  LYS B O   1 
ATOM   542  C CB  . LYS A 1 63  ? -11.461 -16.735 -23.343 1.00 16.26 ? 69  LYS B CB  1 
ATOM   543  C CG  . LYS A 1 63  ? -11.074 -18.164 -22.965 1.00 16.28 ? 69  LYS B CG  1 
ATOM   544  C CD  . LYS A 1 63  ? -9.920  -18.227 -21.909 1.00 19.37 ? 69  LYS B CD  1 
ATOM   545  C CE  . LYS A 1 63  ? -9.553  -19.632 -21.486 1.00 22.87 ? 69  LYS B CE  1 
ATOM   546  N NZ  . LYS A 1 63  ? -8.501  -19.594 -20.434 1.00 24.84 ? 69  LYS B NZ  1 
ATOM   547  N N   . MET A 1 64  ? -14.096 -14.821 -24.296 1.00 13.90 ? 70  MET B N   1 
ATOM   548  C CA  . MET A 1 64  ? -14.718 -13.500 -24.500 1.00 13.29 ? 70  MET B CA  1 
ATOM   549  C C   . MET A 1 64  ? -15.386 -13.038 -23.212 1.00 12.67 ? 70  MET B C   1 
ATOM   550  O O   . MET A 1 64  ? -15.959 -13.869 -22.507 1.00 13.60 ? 70  MET B O   1 
ATOM   551  C CB  . MET A 1 64  ? -15.834 -13.606 -25.525 1.00 13.93 ? 70  MET B CB  1 
ATOM   552  C CG  . MET A 1 64  ? -15.411 -13.736 -26.963 1.00 14.57 ? 70  MET B CG  1 
ATOM   553  S SD  . MET A 1 64  ? -14.659 -15.323 -27.496 1.00 16.52 ? 70  MET B SD  1 
ATOM   554  C CE  . MET A 1 64  ? -15.865 -16.525 -27.032 1.00 15.65 ? 70  MET B CE  1 
ATOM   555  N N   . TYR A 1 65  ? -15.352 -11.753 -22.913 1.00 12.56 ? 71  TYR B N   1 
ATOM   556  C CA  . TYR A 1 65  ? -15.951 -11.193 -21.678 1.00 12.85 ? 71  TYR B CA  1 
ATOM   557  C C   . TYR A 1 65  ? -16.558 -9.853  -22.040 1.00 13.59 ? 71  TYR B C   1 
ATOM   558  O O   . TYR A 1 65  ? -15.934 -9.025  -22.772 1.00 13.75 ? 71  TYR B O   1 
ATOM   559  C CB  . TYR A 1 65  ? -14.892 -11.022 -20.598 1.00 13.68 ? 71  TYR B CB  1 
ATOM   560  C CG  . TYR A 1 65  ? -15.422 -10.407 -19.342 1.00 13.16 ? 71  TYR B CG  1 
ATOM   561  C CD1 . TYR A 1 65  ? -16.134 -11.171 -18.435 1.00 13.28 ? 71  TYR B CD1 1 
ATOM   562  C CD2 . TYR A 1 65  ? -15.221 -9.058  -19.066 1.00 13.75 ? 71  TYR B CD2 1 
ATOM   563  C CE1 . TYR A 1 65  ? -16.634 -10.622 -17.254 1.00 14.79 ? 71  TYR B CE1 1 
ATOM   564  C CE2 . TYR A 1 65  ? -15.758 -8.489  -17.910 1.00 13.76 ? 71  TYR B CE2 1 
ATOM   565  C CZ  . TYR A 1 65  ? -16.444 -9.263  -16.996 1.00 14.06 ? 71  TYR B CZ  1 
ATOM   566  O OH  . TYR A 1 65  ? -16.966 -8.714  -15.850 1.00 16.03 ? 71  TYR B OH  1 
ATOM   567  N N   . TRP A 1 66  ? -17.754 -9.580  -21.546 1.00 11.46 ? 72  TRP B N   1 
ATOM   568  C CA  . TRP A 1 66  ? -18.342 -8.218  -21.653 1.00 11.55 ? 72  TRP B CA  1 
ATOM   569  C C   . TRP A 1 66  ? -19.243 -7.951  -20.440 1.00 12.06 ? 72  TRP B C   1 
ATOM   570  O O   . TRP A 1 66  ? -19.589 -8.899  -19.714 1.00 12.44 ? 72  TRP B O   1 
ATOM   571  C CB  . TRP A 1 66  ? -19.088 -8.001  -22.999 1.00 11.38 ? 72  TRP B CB  1 
ATOM   572  C CG  . TRP A 1 66  ? -20.263 -8.885  -23.263 1.00 11.13 ? 72  TRP B CG  1 
ATOM   573  C CD1 . TRP A 1 66  ? -21.596 -8.602  -23.059 1.00 11.66 ? 72  TRP B CD1 1 
ATOM   574  C CD2 . TRP A 1 66  ? -20.259 -10.195 -23.828 1.00 12.21 ? 72  TRP B CD2 1 
ATOM   575  N NE1 . TRP A 1 66  ? -22.391 -9.656  -23.459 1.00 11.44 ? 72  TRP B NE1 1 
ATOM   576  C CE2 . TRP A 1 66  ? -21.582 -10.653 -23.920 1.00 12.29 ? 72  TRP B CE2 1 
ATOM   577  C CE3 . TRP A 1 66  ? -19.240 -11.056 -24.238 1.00 13.90 ? 72  TRP B CE3 1 
ATOM   578  C CZ2 . TRP A 1 66  ? -21.928 -11.884 -24.428 1.00 12.22 ? 72  TRP B CZ2 1 
ATOM   579  C CZ3 . TRP A 1 66  ? -19.568 -12.286 -24.759 1.00 15.64 ? 72  TRP B CZ3 1 
ATOM   580  C CH2 . TRP A 1 66  ? -20.893 -12.712 -24.829 1.00 13.97 ? 72  TRP B CH2 1 
ATOM   581  N N   . GLU A 1 67  ? -19.646 -6.682  -20.263 1.00 11.53 ? 73  GLU B N   1 
ATOM   582  C CA  . GLU A 1 67  ? -20.496 -6.241  -19.131 1.00 11.59 ? 73  GLU B CA  1 
ATOM   583  C C   . GLU A 1 67  ? -21.699 -5.453  -19.611 1.00 10.89 ? 73  GLU B C   1 
ATOM   584  O O   . GLU A 1 67  ? -21.610 -4.754  -20.602 1.00 12.09 ? 73  GLU B O   1 
ATOM   585  C CB  . GLU A 1 67  ? -19.697 -5.396  -18.140 1.00 13.31 ? 73  GLU B CB  1 
ATOM   586  C CG  . GLU A 1 67  ? -18.646 -6.231  -17.401 1.00 15.22 ? 73  GLU B CG  1 
ATOM   587  C CD  . GLU A 1 67  ? -17.752 -5.477  -16.440 1.00 18.99 ? 73  GLU B CD  1 
ATOM   588  O OE1 . GLU A 1 67  ? -17.914 -4.233  -16.352 1.00 24.23 ? 73  GLU B OE1 1 
ATOM   589  O OE2 . GLU A 1 67  ? -16.894 -6.159  -15.748 1.00 17.20 ? 73  GLU B OE2 1 
ATOM   590  N N   . VAL A 1 68  ? -22.801 -5.676  -18.922 1.00 11.88 ? 74  VAL B N   1 
ATOM   591  C CA  . VAL A 1 68  ? -24.080 -5.030  -19.239 1.00 11.03 ? 74  VAL B CA  1 
ATOM   592  C C   . VAL A 1 68  ? -24.623 -4.349  -17.982 1.00 10.96 ? 74  VAL B C   1 
ATOM   593  O O   . VAL A 1 68  ? -24.728 -4.986  -16.945 1.00 12.33 ? 74  VAL B O   1 
ATOM   594  C CB  . VAL A 1 68  ? -25.101 -6.036  -19.791 1.00 11.08 ? 74  VAL B CB  1 
ATOM   595  C CG1 . VAL A 1 68  ? -26.345 -5.316  -20.237 1.00 12.42 ? 74  VAL B CG1 1 
ATOM   596  C CG2 . VAL A 1 68  ? -24.495 -6.880  -20.897 1.00 12.26 ? 74  VAL B CG2 1 
ATOM   597  N N   . ASP A 1 69  ? -25.084 -3.100  -18.155 1.00 11.22 ? 75  ASP B N   1 
ATOM   598  C CA  . ASP A 1 69  ? -25.747 -2.304  -17.102 1.00 12.63 ? 75  ASP B CA  1 
ATOM   599  C C   . ASP A 1 69  ? -27.233 -2.576  -17.138 1.00 11.19 ? 75  ASP B C   1 
ATOM   600  O O   . ASP A 1 69  ? -27.848 -2.472  -18.244 1.00 12.15 ? 75  ASP B O   1 
ATOM   601  C CB  . ASP A 1 69  ? -25.429 -0.803  -17.245 1.00 14.09 ? 75  ASP B CB  1 
ATOM   602  C CG  . ASP A 1 69  ? -25.819 -0.011  -15.999 1.00 16.54 ? 75  ASP B CG  1 
ATOM   603  O OD1 . ASP A 1 69  ? -26.962 -0.011  -15.637 1.00 15.56 ? 75  ASP B OD1 1 
ATOM   604  O OD2 . ASP A 1 69  ? -24.902 0.431   -15.290 1.00 21.42 ? 75  ASP B OD2 1 
ATOM   605  N N   . VAL A 1 70  ? -27.808 -3.005  -16.010 1.00 11.23 ? 76  VAL B N   1 
ATOM   606  C CA  . VAL A 1 70  ? -29.246 -3.339  -15.848 1.00 11.91 ? 76  VAL B CA  1 
ATOM   607  C C   . VAL A 1 70  ? -29.924 -2.436  -14.792 1.00 12.90 ? 76  VAL B C   1 
ATOM   608  O O   . VAL A 1 70  ? -30.989 -2.783  -14.269 1.00 13.20 ? 76  VAL B O   1 
ATOM   609  C CB  . VAL A 1 70  ? -29.395 -4.841  -15.495 1.00 12.22 ? 76  VAL B CB  1 
ATOM   610  C CG1 . VAL A 1 70  ? -28.842 -5.768  -16.616 1.00 11.43 ? 76  VAL B CG1 1 
ATOM   611  C CG2 . VAL A 1 70  ? -28.750 -5.230  -14.160 1.00 12.71 ? 76  VAL B CG2 1 
ATOM   612  N N   . THR A 1 71  ? -29.275 -1.338  -14.416 1.00 13.22 ? 77  THR B N   1 
ATOM   613  C CA  . THR A 1 71  ? -29.781 -0.411  -13.380 1.00 14.88 ? 77  THR B CA  1 
ATOM   614  C C   . THR A 1 71  ? -31.267 -0.104  -13.604 1.00 14.61 ? 77  THR B C   1 
ATOM   615  O O   . THR A 1 71  ? -31.697 0.255   -14.698 1.00 14.45 ? 77  THR B O   1 
ATOM   616  C CB  . THR A 1 71  ? -28.974 0.886   -13.390 1.00 15.90 ? 77  THR B CB  1 
ATOM   617  O OG1 . THR A 1 71  ? -27.599 0.617   -13.077 1.00 18.18 ? 77  THR B OG1 1 
ATOM   618  C CG2 . THR A 1 71  ? -29.546 1.837   -12.355 1.00 18.87 ? 77  THR B CG2 1 
ATOM   619  N N   . GLN A 1 72  ? -32.002 -0.229  -12.515 1.00 17.11 ? 78  GLN B N   1 
ATOM   620  C CA  . GLN A 1 72  ? -33.431 0.105   -12.290 1.00 19.77 ? 78  GLN B CA  1 
ATOM   621  C C   . GLN A 1 72  ? -34.369 -0.677  -13.203 1.00 20.16 ? 78  GLN B C   1 
ATOM   622  O O   . GLN A 1 72  ? -35.585 -0.387  -13.201 1.00 23.89 ? 78  GLN B O   1 
ATOM   623  C CB  . GLN A 1 72  ? -33.654 1.613   -12.325 1.00 27.72 ? 78  GLN B CB  1 
ATOM   624  C CG  . GLN A 1 72  ? -33.530 2.265   -13.686 1.00 34.28 ? 78  GLN B CG  1 
ATOM   625  C CD  . GLN A 1 72  ? -34.650 3.250   -13.964 1.00 36.15 ? 78  GLN B CD  1 
ATOM   626  O OE1 . GLN A 1 72  ? -34.437 4.281   -14.607 1.00 39.89 ? 78  GLN B OE1 1 
ATOM   627  N NE2 . GLN A 1 72  ? -35.867 2.892   -13.560 1.00 38.23 ? 78  GLN B NE2 1 
ATOM   628  N N   . LYS A 1 73  ? -33.944 -1.751  -13.851 1.00 14.00 ? 79  LYS B N   1 
ATOM   629  C CA  . LYS A 1 73  ? -34.906 -2.598  -14.567 1.00 12.89 ? 79  LYS B CA  1 
ATOM   630  C C   . LYS A 1 73  ? -35.601 -3.601  -13.655 1.00 11.96 ? 79  LYS B C   1 
ATOM   631  O O   . LYS A 1 73  ? -34.971 -4.150  -12.713 1.00 14.12 ? 79  LYS B O   1 
ATOM   632  C CB  . LYS A 1 73  ? -34.171 -3.291  -15.708 1.00 13.00 ? 79  LYS B CB  1 
ATOM   633  C CG  . LYS A 1 73  ? -33.744 -2.292  -16.818 1.00 13.70 ? 79  LYS B CG  1 
ATOM   634  C CD  . LYS A 1 73  ? -33.263 -2.929  -18.092 1.00 14.33 ? 79  LYS B CD  1 
ATOM   635  C CE  . LYS A 1 73  ? -34.340 -3.650  -18.875 1.00 13.13 ? 79  LYS B CE  1 
ATOM   636  N NZ  . LYS A 1 73  ? -35.540 -2.814  -19.198 1.00 11.14 ? 79  LYS B NZ  1 
ATOM   637  N N   . GLU A 1 74  ? -36.834 -3.927  -13.976 1.00 10.70 ? 80  GLU B N   1 
ATOM   638  C CA  . GLU A 1 74  ? -37.658 -4.943  -13.295 1.00 10.64 ? 80  GLU B CA  1 
ATOM   639  C C   . GLU A 1 74  ? -37.561 -6.304  -13.973 1.00 11.08 ? 80  GLU B C   1 
ATOM   640  O O   . GLU A 1 74  ? -37.934 -7.324  -13.400 1.00 11.66 ? 80  GLU B O   1 
ATOM   641  C CB  . GLU A 1 74  ? -39.130 -4.512  -13.292 1.00 12.10 ? 80  GLU B CB  1 
ATOM   642  C CG  . GLU A 1 74  ? -39.421 -3.285  -12.440 1.00 12.92 ? 80  GLU B CG  1 
ATOM   643  C CD  . GLU A 1 74  ? -40.889 -2.861  -12.580 1.00 12.97 ? 80  GLU B CD  1 
ATOM   644  O OE1 . GLU A 1 74  ? -41.302 -2.026  -11.773 1.00 16.07 ? 80  GLU B OE1 1 
ATOM   645  O OE2 . GLU A 1 74  ? -41.601 -3.399  -13.456 1.00 14.18 ? 80  GLU B OE2 1 
ATOM   646  N N   . ALA A 1 75  ? -37.210 -6.359  -15.253 1.00 10.91 ? 81  ALA B N   1 
ATOM   647  C CA  . ALA A 1 75  ? -37.232 -7.612  -16.020 1.00 10.40 ? 81  ALA B CA  1 
ATOM   648  C C   . ALA A 1 75  ? -36.257 -7.481  -17.180 1.00 11.52 ? 81  ALA B C   1 
ATOM   649  O O   . ALA A 1 75  ? -36.224 -6.422  -17.877 1.00 10.99 ? 81  ALA B O   1 
ATOM   650  C CB  . ALA A 1 75  ? -38.613 -7.919  -16.555 1.00 12.28 ? 81  ALA B CB  1 
ATOM   651  N N   . TRP A 1 76  ? -35.518 -8.555  -17.473 1.00 10.22 ? 82  TRP B N   1 
ATOM   652  C CA  . TRP A 1 76  ? -34.537 -8.615  -18.587 1.00 10.03 ? 82  TRP B CA  1 
ATOM   653  C C   . TRP A 1 76  ? -34.029 -10.043 -18.690 1.00 10.20 ? 82  TRP B C   1 
ATOM   654  O O   . TRP A 1 76  ? -34.137 -10.811 -17.718 1.00 10.64 ? 82  TRP B O   1 
ATOM   655  C CB  . TRP A 1 76  ? -33.376 -7.629  -18.387 1.00 10.72 ? 82  TRP B CB  1 
ATOM   656  C CG  . TRP A 1 76  ? -32.692 -7.692  -17.067 1.00 10.87 ? 82  TRP B CG  1 
ATOM   657  C CD1 . TRP A 1 76  ? -32.891 -6.840  -16.024 1.00 11.89 ? 82  TRP B CD1 1 
ATOM   658  C CD2 . TRP A 1 76  ? -31.741 -8.648  -16.549 1.00 11.12 ? 82  TRP B CD2 1 
ATOM   659  N NE1 . TRP A 1 76  ? -32.126 -7.141  -14.946 1.00 11.32 ? 82  TRP B NE1 1 
ATOM   660  C CE2 . TRP A 1 76  ? -31.414 -8.279  -15.237 1.00 11.67 ? 82  TRP B CE2 1 
ATOM   661  C CE3 . TRP A 1 76  ? -31.099 -9.796  -17.082 1.00 11.46 ? 82  TRP B CE3 1 
ATOM   662  C CZ2 . TRP A 1 76  ? -30.490 -8.942  -14.440 1.00 11.48 ? 82  TRP B CZ2 1 
ATOM   663  C CZ3 . TRP A 1 76  ? -30.201 -10.487 -16.291 1.00 11.32 ? 82  TRP B CZ3 1 
ATOM   664  C CH2 . TRP A 1 76  ? -29.906 -10.056 -14.984 1.00 12.25 ? 82  TRP B CH2 1 
ATOM   665  N N   . ASP A 1 77  ? -33.522 -10.396 -19.864 1.00 10.17 ? 83  ASP B N   1 
ATOM   666  C CA  . ASP A 1 77  ? -32.763 -11.664 -20.073 1.00 10.43 ? 83  ASP B CA  1 
ATOM   667  C C   . ASP A 1 77  ? -31.393 -11.268 -20.650 1.00 10.00 ? 83  ASP B C   1 
ATOM   668  O O   . ASP A 1 77  ? -31.346 -10.359 -21.517 1.00 9.99  ? 83  ASP B O   1 
ATOM   669  C CB  . ASP A 1 77  ? -33.418 -12.616 -21.069 1.00 11.83 ? 83  ASP B CB  1 
ATOM   670  C CG  . ASP A 1 77  ? -34.896 -12.853 -20.936 1.00 13.13 ? 83  ASP B CG  1 
ATOM   671  O OD1 . ASP A 1 77  ? -35.327 -12.888 -19.785 1.00 15.57 ? 83  ASP B OD1 1 
ATOM   672  O OD2 . ASP A 1 77  ? -35.599 -13.026 -21.957 1.00 14.26 ? 83  ASP B OD2 1 
ATOM   673  N N   . LEU A 1 78  ? -30.323 -11.972 -20.304 1.00 9.24  ? 84  LEU B N   1 
ATOM   674  C CA  . LEU A 1 78  ? -28.966 -11.717 -20.837 1.00 9.28  ? 84  LEU B CA  1 
ATOM   675  C C   . LEU A 1 78  ? -28.258 -13.042 -21.022 1.00 9.12  ? 84  LEU B C   1 
ATOM   676  O O   . LEU A 1 78  ? -28.395 -13.946 -20.204 1.00 9.09  ? 84  LEU B O   1 
ATOM   677  C CB  . LEU A 1 78  ? -28.139 -10.877 -19.872 1.00 9.69  ? 84  LEU B CB  1 
ATOM   678  C CG  . LEU A 1 78  ? -28.487 -9.406  -19.737 1.00 11.32 ? 84  LEU B CG  1 
ATOM   679  C CD1 . LEU A 1 78  ? -27.654 -8.790  -18.633 1.00 11.31 ? 84  LEU B CD1 1 
ATOM   680  C CD2 . LEU A 1 78  ? -28.272 -8.705  -21.066 1.00 12.19 ? 84  LEU B CD2 1 
ATOM   681  N N   . GLY A 1 79  ? -27.428 -13.089 -22.043 1.00 8.66  ? 85  GLY B N   1 
ATOM   682  C CA  . GLY A 1 79  ? -26.453 -14.184 -22.170 1.00 9.46  ? 85  GLY B CA  1 
ATOM   683  C C   . GLY A 1 79  ? -25.919 -14.266 -23.583 1.00 8.58  ? 85  GLY B C   1 
ATOM   684  O O   . GLY A 1 79  ? -25.527 -13.240 -24.169 1.00 9.01  ? 85  GLY B O   1 
ATOM   685  N N   A VAL A 1 80  ? -25.858 -15.495 -24.108 0.27 8.91  ? 86  VAL B N   1 
ATOM   686  N N   B VAL A 1 80  ? -25.935 -15.468 -24.143 0.26 9.30  ? 86  VAL B N   1 
ATOM   687  C CA  A VAL A 1 80  ? -25.464 -15.781 -25.520 0.27 8.91  ? 86  VAL B CA  1 
ATOM   688  C CA  B VAL A 1 80  ? -25.353 -15.738 -25.486 0.26 9.59  ? 86  VAL B CA  1 
ATOM   689  C C   A VAL A 1 80  ? -26.462 -16.745 -26.146 0.27 9.16  ? 86  VAL B C   1 
ATOM   690  C C   B VAL A 1 80  ? -26.250 -16.811 -26.127 0.26 9.66  ? 86  VAL B C   1 
ATOM   691  O O   A VAL A 1 80  ? -27.185 -17.472 -25.460 0.27 9.70  ? 86  VAL B O   1 
ATOM   692  O O   B VAL A 1 80  ? -26.818 -17.598 -25.367 0.26 10.30 ? 86  VAL B O   1 
ATOM   693  C CB  A VAL A 1 80  ? -24.059 -16.394 -25.688 0.27 9.16  ? 86  VAL B CB  1 
ATOM   694  C CB  B VAL A 1 80  ? -23.861 -16.123 -25.328 0.26 10.47 ? 86  VAL B CB  1 
ATOM   695  C CG1 A VAL A 1 80  ? -22.994 -15.394 -25.300 0.27 8.84  ? 86  VAL B CG1 1 
ATOM   696  C CG1 B VAL A 1 80  ? -23.673 -17.460 -24.623 0.26 10.37 ? 86  VAL B CG1 1 
ATOM   697  C CG2 A VAL A 1 80  ? -23.887 -17.692 -24.906 0.27 9.16  ? 86  VAL B CG2 1 
ATOM   698  C CG2 B VAL A 1 80  ? -23.100 -16.081 -26.641 0.26 10.87 ? 86  VAL B CG2 1 
ATOM   699  N N   . CYS A 1 81  ? -26.410 -16.820 -27.458 1.00 9.69  ? 87  CYS B N   1 
ATOM   700  C CA  . CYS A 1 81  ? -27.236 -17.796 -28.142 1.00 10.56 ? 87  CYS B CA  1 
ATOM   701  C C   . CYS A 1 81  ? -26.566 -18.218 -29.443 1.00 10.28 ? 87  CYS B C   1 
ATOM   702  O O   . CYS A 1 81  ? -25.689 -17.503 -29.974 1.00 10.17 ? 87  CYS B O   1 
ATOM   703  C CB  . CYS A 1 81  ? -28.636 -17.247 -28.411 1.00 11.93 ? 87  CYS B CB  1 
ATOM   704  S SG  . CYS A 1 81  ? -28.721 -15.849 -29.550 1.00 11.86 ? 87  CYS B SG  1 
ATOM   705  N N   A ARG A 1 82  ? -27.019 -19.341 -29.966 0.27 10.59 ? 88  ARG B N   1 
ATOM   706  N N   B ARG A 1 82  ? -26.977 -19.367 -29.954 0.26 10.11 ? 88  ARG B N   1 
ATOM   707  C CA  A ARG A 1 82  ? -26.616 -19.759 -31.329 0.27 11.59 ? 88  ARG B CA  1 
ATOM   708  C CA  B ARG A 1 82  ? -26.529 -19.831 -31.295 0.26 10.69 ? 88  ARG B CA  1 
ATOM   709  C C   A ARG A 1 82  ? -27.019 -18.694 -32.342 0.27 11.09 ? 88  ARG B C   1 
ATOM   710  C C   B ARG A 1 82  ? -27.044 -18.841 -32.364 0.26 10.77 ? 88  ARG B C   1 
ATOM   711  O O   A ARG A 1 82  ? -28.067 -18.053 -32.203 0.27 10.70 ? 88  ARG B O   1 
ATOM   712  O O   B ARG A 1 82  ? -28.199 -18.358 -32.248 0.26 10.86 ? 88  ARG B O   1 
ATOM   713  C CB  A ARG A 1 82  ? -27.317 -21.050 -31.729 0.27 12.42 ? 88  ARG B CB  1 
ATOM   714  C CB  B ARG A 1 82  ? -27.042 -21.260 -31.514 0.26 10.90 ? 88  ARG B CB  1 
ATOM   715  C CG  A ARG A 1 82  ? -26.935 -22.194 -30.821 0.27 13.78 ? 88  ARG B CG  1 
ATOM   716  C CG  B ARG A 1 82  ? -26.366 -22.005 -32.657 0.26 11.09 ? 88  ARG B CG  1 
ATOM   717  C CD  A ARG A 1 82  ? -27.344 -23.521 -31.399 0.27 15.27 ? 88  ARG B CD  1 
ATOM   718  C CD  B ARG A 1 82  ? -26.975 -23.349 -32.961 0.26 11.44 ? 88  ARG B CD  1 
ATOM   719  N NE  A ARG A 1 82  ? -27.044 -24.548 -30.421 0.27 14.96 ? 88  ARG B NE  1 
ATOM   720  N NE  B ARG A 1 82  ? -26.977 -24.210 -31.796 0.26 11.49 ? 88  ARG B NE  1 
ATOM   721  C CZ  A ARG A 1 82  ? -27.892 -25.470 -30.010 0.27 15.68 ? 88  ARG B CZ  1 
ATOM   722  C CZ  B ARG A 1 82  ? -28.059 -24.752 -31.228 0.26 11.33 ? 88  ARG B CZ  1 
ATOM   723  N NH1 A ARG A 1 82  ? -29.119 -25.537 -30.501 0.27 15.58 ? 88  ARG B NH1 1 
ATOM   724  N NH1 B ARG A 1 82  ? -29.255 -24.613 -31.763 0.26 13.26 ? 88  ARG B NH1 1 
ATOM   725  N NH2 A ARG A 1 82  ? -27.478 -26.340 -29.117 0.27 17.50 ? 88  ARG B NH2 1 
ATOM   726  N NH2 B ARG A 1 82  ? -27.930 -25.480 -30.131 0.26 11.60 ? 88  ARG B NH2 1 
ATOM   727  N N   . ASP A 1 83  ? -26.236 -18.559 -33.401 1.00 11.77 ? 89  ASP B N   1 
ATOM   728  C CA  . ASP A 1 83  ? -26.636 -17.641 -34.489 1.00 12.78 ? 89  ASP B CA  1 
ATOM   729  C C   . ASP A 1 83  ? -27.936 -18.131 -35.094 1.00 14.12 ? 89  ASP B C   1 
ATOM   730  O O   . ASP A 1 83  ? -28.670 -17.271 -35.647 1.00 17.14 ? 89  ASP B O   1 
ATOM   731  C CB  . ASP A 1 83  ? -25.523 -17.553 -35.536 1.00 14.94 ? 89  ASP B CB  1 
ATOM   732  C CG  . ASP A 1 83  ? -25.126 -18.814 -36.240 1.00 17.58 ? 89  ASP B CG  1 
ATOM   733  O OD1 . ASP A 1 83  ? -25.602 -19.920 -35.866 1.00 20.40 ? 89  ASP B OD1 1 
ATOM   734  O OD2 . ASP A 1 83  ? -24.313 -18.674 -37.194 1.00 21.48 ? 89  ASP B OD2 1 
ATOM   735  N N   . SER A 1 84  ? -28.238 -19.429 -35.102 1.00 13.09 ? 90  SER B N   1 
ATOM   736  C CA  . SER A 1 84  ? -29.425 -19.952 -35.812 1.00 15.00 ? 90  SER B CA  1 
ATOM   737  C C   . SER A 1 84  ? -30.667 -20.126 -34.927 1.00 13.28 ? 90  SER B C   1 
ATOM   738  O O   . SER A 1 84  ? -31.575 -20.847 -35.289 1.00 14.19 ? 90  SER B O   1 
ATOM   739  C CB  . SER A 1 84  ? -29.050 -21.220 -36.473 1.00 17.42 ? 90  SER B CB  1 
ATOM   740  O OG  . SER A 1 84  ? -28.574 -22.139 -35.554 1.00 17.28 ? 90  SER B OG  1 
ATOM   741  N N   . VAL A 1 85  ? -30.714 -19.499 -33.754 1.00 12.02 ? 91  VAL B N   1 
ATOM   742  C CA  . VAL A 1 85  ? -31.947 -19.592 -32.942 1.00 12.72 ? 91  VAL B CA  1 
ATOM   743  C C   . VAL A 1 85  ? -33.166 -19.083 -33.726 1.00 11.48 ? 91  VAL B C   1 
ATOM   744  O O   . VAL A 1 85  ? -33.065 -18.152 -34.559 1.00 12.88 ? 91  VAL B O   1 
ATOM   745  C CB  . VAL A 1 85  ? -31.865 -18.865 -31.584 1.00 11.82 ? 91  VAL B CB  1 
ATOM   746  C CG1 . VAL A 1 85  ? -30.847 -19.549 -30.686 1.00 11.91 ? 91  VAL B CG1 1 
ATOM   747  C CG2 . VAL A 1 85  ? -31.637 -17.387 -31.708 1.00 12.03 ? 91  VAL B CG2 1 
ATOM   748  N N   . GLN A 1 86  ? -34.287 -19.692 -33.415 1.00 13.35 ? 92  GLN B N   1 
ATOM   749  C CA  . GLN A 1 86  ? -35.644 -19.277 -33.888 1.00 15.29 ? 92  GLN B CA  1 
ATOM   750  C C   . GLN A 1 86  ? -35.845 -17.793 -33.572 1.00 14.10 ? 92  GLN B C   1 
ATOM   751  O O   . GLN A 1 86  ? -35.545 -17.347 -32.485 1.00 14.60 ? 92  GLN B O   1 
ATOM   752  C CB  . GLN A 1 86  ? -36.657 -20.152 -33.146 1.00 17.46 ? 92  GLN B CB  1 
ATOM   753  C CG  . GLN A 1 86  ? -38.138 -19.879 -33.443 1.00 19.58 ? 92  GLN B CG  1 
ATOM   754  C CD  . GLN A 1 86  ? -39.056 -20.717 -32.553 1.00 23.10 ? 92  GLN B CD  1 
ATOM   755  O OE1 . GLN A 1 86  ? -38.649 -21.704 -31.910 1.00 24.19 ? 92  GLN B OE1 1 
ATOM   756  N NE2 . GLN A 1 86  ? -40.334 -20.345 -32.443 1.00 25.04 ? 92  GLN B NE2 1 
ATOM   757  N N   . ARG A 1 87  ? -36.410 -17.057 -34.515 1.00 13.20 ? 93  ARG B N   1 
ATOM   758  C CA  . ARG A 1 87  ? -36.691 -15.597 -34.382 1.00 12.83 ? 93  ARG B CA  1 
ATOM   759  C C   . ARG A 1 87  ? -38.203 -15.359 -34.260 1.00 13.72 ? 93  ARG B C   1 
ATOM   760  O O   . ARG A 1 87  ? -38.584 -14.376 -33.617 1.00 14.04 ? 93  ARG B O   1 
ATOM   761  C CB  . ARG A 1 87  ? -36.142 -14.792 -35.541 1.00 13.32 ? 93  ARG B CB  1 
ATOM   762  C CG  . ARG A 1 87  ? -34.680 -15.038 -35.874 1.00 12.93 ? 93  ARG B CG  1 
ATOM   763  C CD  . ARG A 1 87  ? -33.775 -14.772 -34.658 1.00 13.89 ? 93  ARG B CD  1 
ATOM   764  N NE  . ARG A 1 87  ? -32.396 -15.219 -34.968 1.00 14.79 ? 93  ARG B NE  1 
ATOM   765  C CZ  . ARG A 1 87  ? -31.492 -14.510 -35.612 1.00 13.70 ? 93  ARG B CZ  1 
ATOM   766  N NH1 . ARG A 1 87  ? -31.769 -13.289 -36.019 1.00 15.76 ? 93  ARG B NH1 1 
ATOM   767  N NH2 . ARG A 1 87  ? -30.335 -15.055 -35.904 1.00 16.46 ? 93  ARG B NH2 1 
ATOM   768  N N   . LYS A 1 88  ? -39.035 -16.211 -34.848 1.00 13.23 ? 94  LYS B N   1 
ATOM   769  C CA  . LYS A 1 88  ? -40.490 -15.932 -34.997 1.00 13.96 ? 94  LYS B CA  1 
ATOM   770  C C   . LYS A 1 88  ? -41.300 -16.836 -34.103 1.00 15.83 ? 94  LYS B C   1 
ATOM   771  O O   . LYS A 1 88  ? -40.935 -18.030 -33.971 1.00 17.25 ? 94  LYS B O   1 
ATOM   772  C CB  . LYS A 1 88  ? -40.912 -16.114 -36.458 1.00 13.80 ? 94  LYS B CB  1 
ATOM   773  C CG  . LYS A 1 88  ? -40.112 -15.352 -37.482 1.00 15.17 ? 94  LYS B CG  1 
ATOM   774  C CD  . LYS A 1 88  ? -40.053 -13.847 -37.206 1.00 16.20 ? 94  LYS B CD  1 
ATOM   775  C CE  . LYS A 1 88  ? -39.297 -13.160 -38.302 1.00 16.25 ? 94  LYS B CE  1 
ATOM   776  N NZ  . LYS A 1 88  ? -39.214 -11.690 -38.105 1.00 17.98 ? 94  LYS B NZ  1 
ATOM   777  N N   . GLY A 1 89  ? -42.362 -16.316 -33.519 1.00 15.72 ? 95  GLY B N   1 
ATOM   778  C CA  . GLY A 1 89  ? -43.255 -17.104 -32.669 1.00 15.73 ? 95  GLY B CA  1 
ATOM   779  C C   . GLY A 1 89  ? -42.754 -17.287 -31.253 1.00 18.00 ? 95  GLY B C   1 
ATOM   780  O O   . GLY A 1 89  ? -41.778 -16.561 -30.839 1.00 17.49 ? 95  GLY B O   1 
ATOM   781  N N   . GLN A 1 90  ? -43.401 -18.180 -30.524 1.00 17.85 ? 96  GLN B N   1 
ATOM   782  C CA  . GLN A 1 90  ? -43.142 -18.420 -29.097 1.00 19.62 ? 96  GLN B CA  1 
ATOM   783  C C   . GLN A 1 90  ? -42.089 -19.508 -28.919 1.00 18.69 ? 96  GLN B C   1 
ATOM   784  O O   . GLN A 1 90  ? -41.997 -20.423 -29.758 1.00 19.85 ? 96  GLN B O   1 
ATOM   785  C CB  . GLN A 1 90  ? -44.447 -18.833 -28.406 1.00 22.78 ? 96  GLN B CB  1 
ATOM   786  C CG  . GLN A 1 90  ? -45.482 -17.740 -28.550 1.00 28.35 ? 96  GLN B CG  1 
ATOM   787  C CD  . GLN A 1 90  ? -46.856 -18.156 -28.120 1.00 38.65 ? 96  GLN B CD  1 
ATOM   788  O OE1 . GLN A 1 90  ? -47.173 -18.111 -26.937 1.00 48.73 ? 96  GLN B OE1 1 
ATOM   789  N NE2 . GLN A 1 90  ? -47.672 -18.546 -29.091 1.00 42.62 ? 96  GLN B NE2 1 
ATOM   790  N N   . PHE A 1 91  ? -41.218 -19.321 -27.932 1.00 16.11 ? 97  PHE B N   1 
ATOM   791  C CA  . PHE A 1 91  ? -40.183 -20.312 -27.573 1.00 15.94 ? 97  PHE B CA  1 
ATOM   792  C C   . PHE A 1 91  ? -39.697 -20.034 -26.159 1.00 15.57 ? 97  PHE B C   1 
ATOM   793  O O   . PHE A 1 91  ? -39.861 -18.925 -25.634 1.00 17.11 ? 97  PHE B O   1 
ATOM   794  C CB  . PHE A 1 91  ? -38.996 -20.255 -28.541 1.00 15.53 ? 97  PHE B CB  1 
ATOM   795  C CG  . PHE A 1 91  ? -38.366 -18.890 -28.687 1.00 15.17 ? 97  PHE B CG  1 
ATOM   796  C CD1 . PHE A 1 91  ? -37.376 -18.484 -27.804 1.00 15.30 ? 97  PHE B CD1 1 
ATOM   797  C CD2 . PHE A 1 91  ? -38.739 -18.019 -29.696 1.00 15.34 ? 97  PHE B CD2 1 
ATOM   798  C CE1 . PHE A 1 91  ? -36.766 -17.256 -27.946 1.00 14.53 ? 97  PHE B CE1 1 
ATOM   799  C CE2 . PHE A 1 91  ? -38.116 -16.795 -29.854 1.00 14.93 ? 97  PHE B CE2 1 
ATOM   800  C CZ  . PHE A 1 91  ? -37.126 -16.422 -28.961 1.00 14.41 ? 97  PHE B CZ  1 
ATOM   801  N N   A SER A 1 92  ? -39.130 -21.053 -25.515 0.25 16.24 ? 98  SER B N   1 
ATOM   802  N N   B SER A 1 92  ? -39.116 -21.073 -25.558 0.25 15.38 ? 98  SER B N   1 
ATOM   803  C CA  A SER A 1 92  ? -38.492 -20.910 -24.184 0.25 16.70 ? 98  SER B CA  1 
ATOM   804  C CA  B SER A 1 92  ? -38.456 -21.037 -24.232 0.25 15.35 ? 98  SER B CA  1 
ATOM   805  C C   A SER A 1 92  ? -36.980 -20.753 -24.349 0.25 15.14 ? 98  SER B C   1 
ATOM   806  C C   B SER A 1 92  ? -36.967 -20.711 -24.406 0.25 14.27 ? 98  SER B C   1 
ATOM   807  O O   A SER A 1 92  ? -36.381 -21.332 -25.284 0.25 14.82 ? 98  SER B O   1 
ATOM   808  O O   B SER A 1 92  ? -36.369 -21.100 -25.460 0.25 13.63 ? 98  SER B O   1 
ATOM   809  C CB  A SER A 1 92  ? -38.796 -22.056 -23.283 0.25 19.52 ? 98  SER B CB  1 
ATOM   810  C CB  B SER A 1 92  ? -38.648 -22.341 -23.511 0.25 16.67 ? 98  SER B CB  1 
ATOM   811  O OG  A SER A 1 92  ? -38.455 -23.271 -23.917 0.25 22.79 ? 98  SER B OG  1 
ATOM   812  O OG  B SER A 1 92  ? -40.031 -22.548 -23.216 0.25 18.67 ? 98  SER B OG  1 
ATOM   813  N N   . LEU A 1 93  ? -36.392 -20.009 -23.423 1.00 13.76 ? 99  LEU B N   1 
ATOM   814  C CA  . LEU A 1 93  ? -34.940 -19.833 -23.356 1.00 14.28 ? 99  LEU B CA  1 
ATOM   815  C C   . LEU A 1 93  ? -34.349 -21.056 -22.675 1.00 14.49 ? 99  LEU B C   1 
ATOM   816  O O   . LEU A 1 93  ? -34.447 -21.211 -21.464 1.00 16.44 ? 99  LEU B O   1 
ATOM   817  C CB  . LEU A 1 93  ? -34.595 -18.566 -22.583 1.00 14.75 ? 99  LEU B CB  1 
ATOM   818  C CG  . LEU A 1 93  ? -35.096 -17.277 -23.211 1.00 15.88 ? 99  LEU B CG  1 
ATOM   819  C CD1 . LEU A 1 93  ? -34.714 -16.093 -22.306 1.00 16.20 ? 99  LEU B CD1 1 
ATOM   820  C CD2 . LEU A 1 93  ? -34.560 -17.072 -24.624 1.00 17.05 ? 99  LEU B CD2 1 
ATOM   821  N N   . SER A 1 94  ? -33.680 -21.928 -23.431 1.00 13.31 ? 100 SER B N   1 
ATOM   822  C CA  . SER A 1 94  ? -33.081 -23.167 -22.900 1.00 13.01 ? 100 SER B CA  1 
ATOM   823  C C   . SER A 1 94  ? -31.865 -23.509 -23.739 1.00 11.52 ? 100 SER B C   1 
ATOM   824  O O   . SER A 1 94  ? -31.854 -23.180 -24.923 1.00 11.61 ? 100 SER B O   1 
ATOM   825  C CB  . SER A 1 94  ? -34.027 -24.351 -22.930 1.00 14.75 ? 100 SER B CB  1 
ATOM   826  O OG  . SER A 1 94  ? -34.402 -24.671 -24.262 1.00 17.84 ? 100 SER B OG  1 
ATOM   827  N N   . PRO A 1 95  ? -30.937 -24.291 -23.201 1.00 11.52 ? 101 PRO B N   1 
ATOM   828  C CA  . PRO A 1 95  ? -29.827 -24.770 -24.038 1.00 12.53 ? 101 PRO B CA  1 
ATOM   829  C C   . PRO A 1 95  ? -30.303 -25.633 -25.209 1.00 12.94 ? 101 PRO B C   1 
ATOM   830  O O   . PRO A 1 95  ? -29.721 -25.483 -26.309 1.00 12.92 ? 101 PRO B O   1 
ATOM   831  C CB  . PRO A 1 95  ? -28.934 -25.548 -23.050 1.00 13.33 ? 101 PRO B CB  1 
ATOM   832  C CG  . PRO A 1 95  ? -29.259 -24.881 -21.691 1.00 13.26 ? 101 PRO B CG  1 
ATOM   833  C CD  . PRO A 1 95  ? -30.743 -24.605 -21.781 1.00 13.24 ? 101 PRO B CD  1 
ATOM   834  N N   . GLU A 1 96  ? -31.384 -26.389 -25.021 1.00 13.86 ? 102 GLU B N   1 
ATOM   835  C CA  . GLU A 1 96  ? -31.947 -27.230 -26.116 1.00 16.35 ? 102 GLU B CA  1 
ATOM   836  C C   . GLU A 1 96  ? -32.357 -26.338 -27.293 1.00 15.35 ? 102 GLU B C   1 
ATOM   837  O O   . GLU A 1 96  ? -32.318 -26.770 -28.476 1.00 17.35 ? 102 GLU B O   1 
ATOM   838  C CB  . GLU A 1 96  ? -33.126 -28.047 -25.606 1.00 20.16 ? 102 GLU B CB  1 
ATOM   839  C CG  . GLU A 1 96  ? -32.764 -28.967 -24.459 1.00 29.26 ? 102 GLU B CG  1 
ATOM   840  C CD  . GLU A 1 96  ? -33.172 -28.428 -23.090 1.00 35.16 ? 102 GLU B CD  1 
ATOM   841  O OE1 . GLU A 1 96  ? -32.434 -27.567 -22.504 1.00 24.02 ? 102 GLU B OE1 1 
ATOM   842  O OE2 . GLU A 1 96  ? -34.251 -28.895 -22.594 1.00 45.92 ? 102 GLU B OE2 1 
ATOM   843  N N   . ASN A 1 97  ? -32.843 -25.120 -27.035 1.00 13.48 ? 103 ASN B N   1 
ATOM   844  C CA  . ASN A 1 97  ? -33.257 -24.167 -28.077 1.00 13.53 ? 103 ASN B CA  1 
ATOM   845  C C   . ASN A 1 97  ? -32.104 -23.245 -28.493 1.00 12.60 ? 103 ASN B C   1 
ATOM   846  O O   . ASN A 1 97  ? -32.309 -22.402 -29.364 1.00 13.79 ? 103 ASN B O   1 
ATOM   847  C CB  . ASN A 1 97  ? -34.467 -23.362 -27.609 1.00 14.44 ? 103 ASN B CB  1 
ATOM   848  C CG  . ASN A 1 97  ? -35.762 -24.128 -27.619 1.00 16.98 ? 103 ASN B CG  1 
ATOM   849  O OD1 . ASN A 1 97  ? -35.869 -25.180 -28.274 1.00 18.48 ? 103 ASN B OD1 1 
ATOM   850  N ND2 . ASN A 1 97  ? -36.718 -23.680 -26.808 1.00 17.90 ? 103 ASN B ND2 1 
ATOM   851  N N   . GLY A 1 98  ? -30.890 -23.427 -27.973 1.00 10.97 ? 104 GLY B N   1 
ATOM   852  C CA  . GLY A 1 98  ? -29.737 -22.624 -28.384 1.00 10.70 ? 104 GLY B CA  1 
ATOM   853  C C   . GLY A 1 98  ? -29.474 -21.370 -27.568 1.00 9.98  ? 104 GLY B C   1 
ATOM   854  O O   . GLY A 1 98  ? -28.821 -20.471 -28.095 1.00 10.23 ? 104 GLY B O   1 
ATOM   855  N N   . PHE A 1 99  ? -29.930 -21.332 -26.300 1.00 10.68 ? 105 PHE B N   1 
ATOM   856  C CA  . PHE A 1 99  ? -29.719 -20.141 -25.440 1.00 9.90  ? 105 PHE B CA  1 
ATOM   857  C C   . PHE A 1 99  ? -29.017 -20.512 -24.141 1.00 9.16  ? 105 PHE B C   1 
ATOM   858  O O   . PHE A 1 99  ? -29.450 -21.513 -23.497 1.00 10.93 ? 105 PHE B O   1 
ATOM   859  C CB  . PHE A 1 99  ? -31.059 -19.472 -25.084 1.00 10.35 ? 105 PHE B CB  1 
ATOM   860  C CG  . PHE A 1 99  ? -31.854 -18.973 -26.268 1.00 9.81  ? 105 PHE B CG  1 
ATOM   861  C CD1 . PHE A 1 99  ? -32.763 -19.799 -26.913 1.00 10.68 ? 105 PHE B CD1 1 
ATOM   862  C CD2 . PHE A 1 99  ? -31.731 -17.674 -26.714 1.00 10.09 ? 105 PHE B CD2 1 
ATOM   863  C CE1 . PHE A 1 99  ? -33.512 -19.335 -27.992 1.00 11.74 ? 105 PHE B CE1 1 
ATOM   864  C CE2 . PHE A 1 99  ? -32.460 -17.215 -27.787 1.00 11.53 ? 105 PHE B CE2 1 
ATOM   865  C CZ  . PHE A 1 99  ? -33.355 -18.041 -28.413 1.00 11.11 ? 105 PHE B CZ  1 
ATOM   866  N N   . TRP A 1 100 ? -28.078 -19.673 -23.695 1.00 8.82  ? 106 TRP B N   1 
ATOM   867  C CA  . TRP A 1 100 ? -27.379 -19.772 -22.393 1.00 9.05  ? 106 TRP B CA  1 
ATOM   868  C C   . TRP A 1 100 ? -27.548 -18.430 -21.701 1.00 8.50  ? 106 TRP B C   1 
ATOM   869  O O   . TRP A 1 100 ? -26.819 -17.487 -22.032 1.00 9.45  ? 106 TRP B O   1 
ATOM   870  C CB  . TRP A 1 100 ? -25.920 -20.230 -22.539 1.00 8.90  ? 106 TRP B CB  1 
ATOM   871  C CG  . TRP A 1 100 ? -25.840 -21.596 -23.171 1.00 9.27  ? 106 TRP B CG  1 
ATOM   872  C CD1 . TRP A 1 100 ? -25.750 -22.804 -22.534 1.00 10.06 ? 106 TRP B CD1 1 
ATOM   873  C CD2 . TRP A 1 100 ? -25.867 -21.916 -24.588 1.00 9.76  ? 106 TRP B CD2 1 
ATOM   874  N NE1 . TRP A 1 100 ? -25.757 -23.847 -23.468 1.00 10.60 ? 106 TRP B NE1 1 
ATOM   875  C CE2 . TRP A 1 100 ? -25.857 -23.322 -24.715 1.00 10.58 ? 106 TRP B CE2 1 
ATOM   876  C CE3 . TRP A 1 100 ? -25.935 -21.135 -25.741 1.00 9.82  ? 106 TRP B CE3 1 
ATOM   877  C CZ2 . TRP A 1 100 ? -25.909 -23.961 -25.964 1.00 11.08 ? 106 TRP B CZ2 1 
ATOM   878  C CZ3 . TRP A 1 100 ? -25.980 -21.771 -26.962 1.00 11.75 ? 106 TRP B CZ3 1 
ATOM   879  C CH2 . TRP A 1 100 ? -25.994 -23.141 -27.057 1.00 11.12 ? 106 TRP B CH2 1 
ATOM   880  N N   . THR A 1 101 ? -28.554 -18.346 -20.822 1.00 9.14  ? 107 THR B N   1 
ATOM   881  C CA  . THR A 1 101 ? -29.063 -17.028 -20.343 1.00 8.88  ? 107 THR B CA  1 
ATOM   882  C C   . THR A 1 101 ? -29.394 -17.094 -18.841 1.00 9.20  ? 107 THR B C   1 
ATOM   883  O O   . THR A 1 101 ? -29.658 -18.181 -18.290 1.00 9.24  ? 107 THR B O   1 
ATOM   884  C CB  . THR A 1 101 ? -30.321 -16.581 -21.089 1.00 9.71  ? 107 THR B CB  1 
ATOM   885  O OG1 . THR A 1 101 ? -31.365 -17.520 -20.879 1.00 10.52 ? 107 THR B OG1 1 
ATOM   886  C CG2 . THR A 1 101 ? -30.022 -16.352 -22.563 1.00 10.15 ? 107 THR B CG2 1 
ATOM   887  N N   . ILE A 1 102 ? -29.420 -15.911 -18.242 1.00 9.62  ? 108 ILE B N   1 
ATOM   888  C CA  . ILE A 1 102 ? -30.066 -15.696 -16.911 1.00 9.40  ? 108 ILE B CA  1 
ATOM   889  C C   . ILE A 1 102 ? -31.062 -14.555 -17.089 1.00 9.67  ? 108 ILE B C   1 
ATOM   890  O O   . ILE A 1 102 ? -30.991 -13.791 -18.094 1.00 9.64  ? 108 ILE B O   1 
ATOM   891  C CB  . ILE A 1 102 ? -29.045 -15.403 -15.786 1.00 9.45  ? 108 ILE B CB  1 
ATOM   892  C CG1 . ILE A 1 102 ? -28.361 -14.050 -15.968 1.00 10.07 ? 108 ILE B CG1 1 
ATOM   893  C CG2 . ILE A 1 102 ? -28.032 -16.527 -15.692 1.00 9.92  ? 108 ILE B CG2 1 
ATOM   894  C CD1 . ILE A 1 102 ? -27.499 -13.578 -14.805 1.00 10.77 ? 108 ILE B CD1 1 
ATOM   895  N N   . TRP A 1 103 ? -31.935 -14.413 -16.108 1.00 9.62  ? 109 TRP B N   1 
ATOM   896  C CA  . TRP A 1 103 ? -32.935 -13.338 -16.156 1.00 10.25 ? 109 TRP B CA  1 
ATOM   897  C C   . TRP A 1 103 ? -33.354 -12.895 -14.772 1.00 10.61 ? 109 TRP B C   1 
ATOM   898  O O   . TRP A 1 103 ? -33.182 -13.590 -13.764 1.00 10.75 ? 109 TRP B O   1 
ATOM   899  C CB  . TRP A 1 103 ? -34.129 -13.761 -16.974 1.00 12.36 ? 109 TRP B CB  1 
ATOM   900  C CG  . TRP A 1 103 ? -34.926 -14.885 -16.438 1.00 13.72 ? 109 TRP B CG  1 
ATOM   901  C CD1 . TRP A 1 103 ? -35.774 -14.894 -15.366 1.00 14.98 ? 109 TRP B CD1 1 
ATOM   902  C CD2 . TRP A 1 103 ? -35.029 -16.153 -17.068 1.00 14.14 ? 109 TRP B CD2 1 
ATOM   903  N NE1 . TRP A 1 103 ? -36.431 -16.077 -15.325 1.00 16.15 ? 109 TRP B NE1 1 
ATOM   904  C CE2 . TRP A 1 103 ? -36.002 -16.874 -16.349 1.00 14.65 ? 109 TRP B CE2 1 
ATOM   905  C CE3 . TRP A 1 103 ? -34.434 -16.716 -18.199 1.00 15.58 ? 109 TRP B CE3 1 
ATOM   906  C CZ2 . TRP A 1 103 ? -36.353 -18.175 -16.691 1.00 17.74 ? 109 TRP B CZ2 1 
ATOM   907  C CZ3 . TRP A 1 103 ? -34.839 -17.971 -18.563 1.00 16.98 ? 109 TRP B CZ3 1 
ATOM   908  C CH2 . TRP A 1 103 ? -35.773 -18.672 -17.830 1.00 16.30 ? 109 TRP B CH2 1 
ATOM   909  N N   . LEU A 1 104 ? -33.933 -11.685 -14.758 1.00 10.68 ? 110 LEU B N   1 
ATOM   910  C CA  . LEU A 1 104 ? -34.714 -11.143 -13.633 1.00 10.89 ? 110 LEU B CA  1 
ATOM   911  C C   . LEU A 1 104 ? -36.170 -11.117 -14.067 1.00 10.55 ? 110 LEU B C   1 
ATOM   912  O O   . LEU A 1 104 ? -36.479 -10.620 -15.149 1.00 10.65 ? 110 LEU B O   1 
ATOM   913  C CB  . LEU A 1 104 ? -34.246 -9.746  -13.330 1.00 10.90 ? 110 LEU B CB  1 
ATOM   914  C CG  . LEU A 1 104 ? -35.090 -8.964  -12.312 1.00 11.03 ? 110 LEU B CG  1 
ATOM   915  C CD1 . LEU A 1 104 ? -35.126 -9.637  -10.939 1.00 11.62 ? 110 LEU B CD1 1 
ATOM   916  C CD2 . LEU A 1 104 ? -34.623 -7.538  -12.197 1.00 13.22 ? 110 LEU B CD2 1 
ATOM   917  N N   . TRP A 1 105 ? -37.057 -11.550 -13.153 1.00 11.49 ? 111 TRP B N   1 
ATOM   918  C CA  . TRP A 1 105 ? -38.507 -11.577 -13.391 1.00 13.27 ? 111 TRP B CA  1 
ATOM   919  C C   . TRP A 1 105 ? -39.205 -11.600 -12.050 1.00 14.20 ? 111 TRP B C   1 
ATOM   920  O O   . TRP A 1 105 ? -38.893 -12.491 -11.237 1.00 14.18 ? 111 TRP B O   1 
ATOM   921  C CB  . TRP A 1 105 ? -38.875 -12.799 -14.220 1.00 16.50 ? 111 TRP B CB  1 
ATOM   922  C CG  . TRP A 1 105 ? -40.328 -13.027 -14.341 1.00 19.29 ? 111 TRP B CG  1 
ATOM   923  C CD1 . TRP A 1 105 ? -41.106 -14.020 -13.795 1.00 20.59 ? 111 TRP B CD1 1 
ATOM   924  C CD2 . TRP A 1 105 ? -41.185 -12.209 -15.133 1.00 19.52 ? 111 TRP B CD2 1 
ATOM   925  N NE1 . TRP A 1 105 ? -42.388 -13.850 -14.207 1.00 20.60 ? 111 TRP B NE1 1 
ATOM   926  C CE2 . TRP A 1 105 ? -42.472 -12.756 -15.022 1.00 18.08 ? 111 TRP B CE2 1 
ATOM   927  C CE3 . TRP A 1 105 ? -40.990 -11.101 -15.951 1.00 18.71 ? 111 TRP B CE3 1 
ATOM   928  C CZ2 . TRP A 1 105 ? -43.579 -12.212 -15.654 1.00 22.38 ? 111 TRP B CZ2 1 
ATOM   929  C CZ3 . TRP A 1 105 ? -42.095 -10.529 -16.545 1.00 22.94 ? 111 TRP B CZ3 1 
ATOM   930  C CH2 . TRP A 1 105 ? -43.375 -11.075 -16.405 1.00 21.87 ? 111 TRP B CH2 1 
ATOM   931  N N   . GLN A 1 106 ? -40.072 -10.601 -11.781 1.00 12.81 ? 112 GLN B N   1 
ATOM   932  C CA  . GLN A 1 106 ? -40.893 -10.630 -10.532 1.00 13.67 ? 112 GLN B CA  1 
ATOM   933  C C   . GLN A 1 106 ? -39.999 -10.811 -9.336  1.00 14.77 ? 112 GLN B C   1 
ATOM   934  O O   . GLN A 1 106 ? -40.342 -11.687 -8.450  1.00 17.04 ? 112 GLN B O   1 
ATOM   935  C CB  . GLN A 1 106 ? -41.973 -11.686 -10.649 1.00 15.81 ? 112 GLN B CB  1 
ATOM   936  C CG  . GLN A 1 106 ? -42.926 -11.375 -11.782 1.00 16.74 ? 112 GLN B CG  1 
ATOM   937  C CD  . GLN A 1 106 ? -44.194 -12.186 -11.870 1.00 19.34 ? 112 GLN B CD  1 
ATOM   938  O OE1 . GLN A 1 106 ? -45.128 -11.830 -12.614 1.00 22.99 ? 112 GLN B OE1 1 
ATOM   939  N NE2 . GLN A 1 106 ? -44.260 -13.242 -11.080 1.00 18.17 ? 112 GLN B NE2 1 
ATOM   940  N N   . ASP A 1 107 ? -38.980 -10.006 -9.204  1.00 15.36 ? 113 ASP B N   1 
ATOM   941  C CA  . ASP A 1 107 ? -38.150 -9.895  -7.988  1.00 20.36 ? 113 ASP B CA  1 
ATOM   942  C C   . ASP A 1 107 ? -37.351 -11.187 -7.727  1.00 20.88 ? 113 ASP B C   1 
ATOM   943  O O   . ASP A 1 107 ? -36.695 -11.230 -6.644  1.00 27.72 ? 113 ASP B O   1 
ATOM   944  C CB  . ASP A 1 107 ? -39.082 -9.640  -6.783  1.00 24.17 ? 113 ASP B CB  1 
ATOM   945  C CG  . ASP A 1 107 ? -38.468 -8.941  -5.615  1.00 35.08 ? 113 ASP B CG  1 
ATOM   946  O OD1 . ASP A 1 107 ? -37.496 -8.173  -5.804  1.00 38.77 ? 113 ASP B OD1 1 
ATOM   947  O OD2 . ASP A 1 107 ? -39.011 -9.157  -4.504  1.00 48.23 ? 113 ASP B OD2 1 
ATOM   948  N N   . SER A 1 108 ? -37.257 -12.113 -8.686  1.00 16.40 ? 114 SER B N   1 
ATOM   949  C CA  . SER A 1 108 ? -36.351 -13.295 -8.561  1.00 18.84 ? 114 SER B CA  1 
ATOM   950  C C   . SER A 1 108 ? -35.438 -13.412 -9.790  1.00 15.55 ? 114 SER B C   1 
ATOM   951  O O   . SER A 1 108 ? -35.824 -13.066 -10.949 1.00 15.18 ? 114 SER B O   1 
ATOM   952  C CB  . SER A 1 108 ? -37.132 -14.524 -8.205  1.00 23.37 ? 114 SER B CB  1 
ATOM   953  O OG  . SER A 1 108 ? -37.758 -15.077 -9.322  1.00 32.83 ? 114 SER B OG  1 
ATOM   954  N N   . TYR A 1 109 ? -34.248 -13.932 -9.555  1.00 13.29 ? 115 TYR B N   1 
ATOM   955  C CA  . TYR A 1 109 ? -33.247 -14.219 -10.605 1.00 12.13 ? 115 TYR B CA  1 
ATOM   956  C C   . TYR A 1 109 ? -33.230 -15.708 -10.866 1.00 12.16 ? 115 TYR B C   1 
ATOM   957  O O   . TYR A 1 109 ? -33.221 -16.504 -9.930  1.00 12.64 ? 115 TYR B O   1 
ATOM   958  C CB  . TYR A 1 109 ? -31.887 -13.688 -10.203 1.00 12.15 ? 115 TYR B CB  1 
ATOM   959  C CG  . TYR A 1 109 ? -31.819 -12.188 -9.961  1.00 12.68 ? 115 TYR B CG  1 
ATOM   960  C CD1 . TYR A 1 109 ? -32.088 -11.643 -8.712  1.00 13.18 ? 115 TYR B CD1 1 
ATOM   961  C CD2 . TYR A 1 109 ? -31.460 -11.315 -10.971 1.00 12.17 ? 115 TYR B CD2 1 
ATOM   962  C CE1 . TYR A 1 109 ? -31.974 -10.278 -8.482  1.00 13.75 ? 115 TYR B CE1 1 
ATOM   963  C CE2 . TYR A 1 109 ? -31.373 -9.948  -10.765 1.00 12.65 ? 115 TYR B CE2 1 
ATOM   964  C CZ  . TYR A 1 109 ? -31.622 -9.426  -9.506  1.00 13.30 ? 115 TYR B CZ  1 
ATOM   965  O OH  . TYR A 1 109 ? -31.598 -8.077  -9.239  1.00 14.34 ? 115 TYR B OH  1 
ATOM   966  N N   A GLU A 1 110 ? -33.226 -16.107 -12.143 0.25 11.52 ? 116 GLU B N   1 
ATOM   967  N N   B GLU A 1 110 ? -33.213 -16.086 -12.146 0.25 11.84 ? 116 GLU B N   1 
ATOM   968  C CA  A GLU A 1 110 ? -33.215 -17.536 -12.554 0.25 11.80 ? 116 GLU B CA  1 
ATOM   969  C CA  B GLU A 1 110 ? -33.213 -17.499 -12.595 0.25 12.27 ? 116 GLU B CA  1 
ATOM   970  C C   A GLU A 1 110 ? -32.286 -17.754 -13.750 0.25 10.54 ? 116 GLU B C   1 
ATOM   971  C C   B GLU A 1 110 ? -32.148 -17.693 -13.679 0.25 10.56 ? 116 GLU B C   1 
ATOM   972  O O   A GLU A 1 110 ? -32.221 -16.893 -14.641 0.25 10.96 ? 116 GLU B O   1 
ATOM   973  O O   B GLU A 1 110 ? -31.778 -16.717 -14.378 0.25 10.18 ? 116 GLU B O   1 
ATOM   974  C CB  A GLU A 1 110 ? -34.615 -18.027 -12.906 0.25 12.66 ? 116 GLU B CB  1 
ATOM   975  C CB  B GLU A 1 110 ? -34.596 -17.909 -13.097 0.25 13.81 ? 116 GLU B CB  1 
ATOM   976  C CG  A GLU A 1 110 ? -35.592 -17.949 -11.739 0.25 14.14 ? 116 GLU B CG  1 
ATOM   977  C CG  B GLU A 1 110 ? -35.708 -17.701 -12.068 0.25 16.45 ? 116 GLU B CG  1 
ATOM   978  C CD  A GLU A 1 110 ? -37.012 -18.340 -12.112 0.25 15.35 ? 116 GLU B CD  1 
ATOM   979  C CD  B GLU A 1 110 ? -35.955 -18.884 -11.145 0.25 18.25 ? 116 GLU B CD  1 
ATOM   980  O OE1 A GLU A 1 110 ? -37.457 -17.974 -13.208 0.25 17.25 ? 116 GLU B OE1 1 
ATOM   981  O OE1 B GLU A 1 110 ? -35.448 -19.981 -11.437 0.25 22.38 ? 116 GLU B OE1 1 
ATOM   982  O OE2 A GLU A 1 110 ? -37.688 -19.002 -11.289 0.25 15.06 ? 116 GLU B OE2 1 
ATOM   983  O OE2 B GLU A 1 110 ? -36.728 -18.724 -10.188 0.25 24.00 ? 116 GLU B OE2 1 
ATOM   984  N N   . ALA A 1 111 ? -31.647 -18.928 -13.791 1.00 10.59 ? 117 ALA B N   1 
ATOM   985  C CA  . ALA A 1 111 ? -30.897 -19.364 -14.974 1.00 10.36 ? 117 ALA B CA  1 
ATOM   986  C C   . ALA A 1 111 ? -31.841 -20.103 -15.919 1.00 10.96 ? 117 ALA B C   1 
ATOM   987  O O   . ALA A 1 111 ? -32.685 -20.914 -15.505 1.00 10.70 ? 117 ALA B O   1 
ATOM   988  C CB  . ALA A 1 111 ? -29.729 -20.252 -14.588 1.00 10.72 ? 117 ALA B CB  1 
ATOM   989  N N   . GLY A 1 112 ? -31.681 -19.840 -17.218 1.00 11.26 ? 118 GLY B N   1 
ATOM   990  C CA  . GLY A 1 112 ? -32.470 -20.449 -18.298 1.00 12.11 ? 118 GLY B CA  1 
ATOM   991  C C   . GLY A 1 112 ? -32.094 -21.879 -18.608 1.00 12.24 ? 118 GLY B C   1 
ATOM   992  O O   . GLY A 1 112 ? -31.805 -22.234 -19.734 1.00 13.62 ? 118 GLY B O   1 
ATOM   993  N N   . THR A 1 113 ? -32.078 -22.759 -17.623 1.00 13.47 ? 119 THR B N   1 
ATOM   994  C CA  . THR A 1 113 ? -32.037 -24.214 -17.820 1.00 14.90 ? 119 THR B CA  1 
ATOM   995  C C   . THR A 1 113 ? -33.447 -24.753 -18.085 1.00 15.76 ? 119 THR B C   1 
ATOM   996  O O   . THR A 1 113 ? -34.395 -23.997 -17.934 1.00 17.81 ? 119 THR B O   1 
ATOM   997  C CB  . THR A 1 113 ? -31.417 -24.822 -16.580 1.00 13.15 ? 119 THR B CB  1 
ATOM   998  O OG1 . THR A 1 113 ? -32.119 -24.376 -15.401 1.00 13.28 ? 119 THR B OG1 1 
ATOM   999  C CG2 . THR A 1 113 ? -29.986 -24.465 -16.366 1.00 14.43 ? 119 THR B CG2 1 
ATOM   1000 N N   . SER A 1 114 ? -33.558 -26.051 -18.396 1.00 19.78 ? 120 SER B N   1 
ATOM   1001 C CA  . SER A 1 114 ? -34.886 -26.660 -18.598 1.00 23.72 ? 120 SER B CA  1 
ATOM   1002 C C   . SER A 1 114 ? -35.069 -27.816 -17.613 1.00 23.36 ? 120 SER B C   1 
ATOM   1003 O O   . SER A 1 114 ? -34.393 -28.845 -17.719 1.00 25.40 ? 120 SER B O   1 
ATOM   1004 C CB  . SER A 1 114 ? -35.103 -27.099 -20.037 1.00 32.11 ? 120 SER B CB  1 
ATOM   1005 O OG  . SER A 1 114 ? -36.503 -27.356 -20.226 1.00 35.97 ? 120 SER B OG  1 
ATOM   1006 N N   . PRO A 1 115 ? -35.877 -27.643 -16.548 1.00 20.73 ? 121 PRO B N   1 
ATOM   1007 C CA  . PRO A 1 115 ? -36.556 -26.397 -16.210 1.00 20.41 ? 121 PRO B CA  1 
ATOM   1008 C C   . PRO A 1 115 ? -35.616 -25.363 -15.541 1.00 18.07 ? 121 PRO B C   1 
ATOM   1009 O O   . PRO A 1 115 ? -34.472 -25.667 -15.234 1.00 16.72 ? 121 PRO B O   1 
ATOM   1010 C CB  . PRO A 1 115 ? -37.633 -26.838 -15.223 1.00 23.92 ? 121 PRO B CB  1 
ATOM   1011 C CG  . PRO A 1 115 ? -36.977 -27.976 -14.496 1.00 22.92 ? 121 PRO B CG  1 
ATOM   1012 C CD  . PRO A 1 115 ? -36.126 -28.691 -15.532 1.00 22.41 ? 121 PRO B CD  1 
ATOM   1013 N N   . GLN A 1 116 ? -36.097 -24.142 -15.358 1.00 17.28 ? 122 GLN B N   1 
ATOM   1014 C CA  . GLN A 1 116 ? -35.261 -23.014 -14.886 1.00 15.78 ? 122 GLN B CA  1 
ATOM   1015 C C   . GLN A 1 116 ? -34.746 -23.268 -13.461 1.00 13.82 ? 122 GLN B C   1 
ATOM   1016 O O   . GLN A 1 116 ? -35.415 -23.994 -12.684 1.00 14.80 ? 122 GLN B O   1 
ATOM   1017 C CB  . GLN A 1 116 ? -35.983 -21.668 -15.034 1.00 20.01 ? 122 GLN B CB  1 
ATOM   1018 C CG  . GLN A 1 116 ? -37.054 -21.368 -14.006 1.00 28.01 ? 122 GLN B CG  1 
ATOM   1019 C CD  . GLN A 1 116 ? -38.426 -21.712 -14.511 1.00 38.95 ? 122 GLN B CD  1 
ATOM   1020 O OE1 . GLN A 1 116 ? -38.593 -22.554 -15.397 1.00 46.80 ? 122 GLN B OE1 1 
ATOM   1021 N NE2 . GLN A 1 116 ? -39.423 -21.096 -13.892 1.00 46.59 ? 122 GLN B NE2 1 
ATOM   1022 N N   . THR A 1 117 ? -33.619 -22.664 -13.146 1.00 12.21 ? 123 THR B N   1 
ATOM   1023 C CA  . THR A 1 117 ? -32.908 -22.825 -11.865 1.00 11.87 ? 123 THR B CA  1 
ATOM   1024 C C   . THR A 1 117 ? -32.939 -21.515 -11.086 1.00 11.77 ? 123 THR B C   1 
ATOM   1025 O O   . THR A 1 117 ? -32.482 -20.479 -11.597 1.00 12.73 ? 123 THR B O   1 
ATOM   1026 C CB  . THR A 1 117 ? -31.479 -23.314 -12.106 1.00 11.72 ? 123 THR B CB  1 
ATOM   1027 O OG1 . THR A 1 117 ? -31.531 -24.540 -12.825 1.00 12.88 ? 123 THR B OG1 1 
ATOM   1028 C CG2 . THR A 1 117 ? -30.733 -23.474 -10.803 1.00 12.48 ? 123 THR B CG2 1 
ATOM   1029 N N   . THR A 1 118 ? -33.322 -21.578 -9.817  1.00 12.33 ? 124 THR B N   1 
ATOM   1030 C CA  . THR A 1 118 ? -33.271 -20.437 -8.905  1.00 12.63 ? 124 THR B CA  1 
ATOM   1031 C C   . THR A 1 118 ? -31.847 -19.965 -8.659  1.00 12.09 ? 124 THR B C   1 
ATOM   1032 O O   . THR A 1 118 ? -30.953 -20.828 -8.370  1.00 14.68 ? 124 THR B O   1 
ATOM   1033 C CB  . THR A 1 118 ? -33.948 -20.861 -7.582  1.00 15.23 ? 124 THR B CB  1 
ATOM   1034 O OG1 . THR A 1 118 ? -35.312 -21.173 -7.850  1.00 18.59 ? 124 THR B OG1 1 
ATOM   1035 C CG2 . THR A 1 118 ? -33.774 -19.841 -6.477  1.00 18.35 ? 124 THR B CG2 1 
ATOM   1036 N N   . LEU A 1 119 ? -31.560 -18.683 -8.751  1.00 11.40 ? 125 LEU B N   1 
ATOM   1037 C CA  . LEU A 1 119 ? -30.256 -18.095 -8.443  1.00 10.94 ? 125 LEU B CA  1 
ATOM   1038 C C   . LEU A 1 119 ? -30.332 -17.523 -7.020  1.00 13.46 ? 125 LEU B C   1 
ATOM   1039 O O   . LEU A 1 119 ? -31.436 -17.203 -6.526  1.00 16.88 ? 125 LEU B O   1 
ATOM   1040 C CB  . LEU A 1 119 ? -29.835 -17.011 -9.456  1.00 11.38 ? 125 LEU B CB  1 
ATOM   1041 C CG  . LEU A 1 119 ? -29.751 -17.532 -10.892 1.00 10.86 ? 125 LEU B CG  1 
ATOM   1042 C CD1 . LEU A 1 119 ? -29.493 -16.431 -11.895 1.00 10.83 ? 125 LEU B CD1 1 
ATOM   1043 C CD2 . LEU A 1 119 ? -28.676 -18.634 -11.026 1.00 12.05 ? 125 LEU B CD2 1 
ATOM   1044 N N   . HIS A 1 120 ? -29.200 -17.429 -6.363  1.00 13.16 ? 126 HIS B N   1 
ATOM   1045 C CA  . HIS A 1 120 ? -29.082 -16.945 -4.961  1.00 14.10 ? 126 HIS B CA  1 
ATOM   1046 C C   . HIS A 1 120 ? -28.237 -15.683 -4.989  1.00 16.08 ? 126 HIS B C   1 
ATOM   1047 O O   . HIS A 1 120 ? -26.992 -15.750 -5.054  1.00 21.58 ? 126 HIS B O   1 
ATOM   1048 C CB  . HIS A 1 120 ? -28.438 -18.044 -4.106  1.00 14.49 ? 126 HIS B CB  1 
ATOM   1049 C CG  . HIS A 1 120 ? -29.229 -19.304 -4.040  1.00 15.72 ? 126 HIS B CG  1 
ATOM   1050 N ND1 . HIS A 1 120 ? -28.967 -20.389 -4.872  1.00 18.42 ? 126 HIS B ND1 1 
ATOM   1051 C CD2 . HIS A 1 120 ? -30.318 -19.632 -3.340  1.00 18.47 ? 126 HIS B CD2 1 
ATOM   1052 C CE1 . HIS A 1 120 ? -29.865 -21.329 -4.627  1.00 19.36 ? 126 HIS B CE1 1 
ATOM   1053 N NE2 . HIS A 1 120 ? -30.669 -20.925 -3.694  1.00 18.73 ? 126 HIS B NE2 1 
ATOM   1054 N N   . ILE A 1 121 ? -28.857 -14.534 -5.051  1.00 18.64 ? 127 ILE B N   1 
ATOM   1055 C CA  . ILE A 1 121 ? -28.137 -13.240 -5.175  1.00 20.73 ? 127 ILE B CA  1 
ATOM   1056 C C   . ILE A 1 121 ? -28.534 -12.390 -3.932  1.00 20.75 ? 127 ILE B C   1 
ATOM   1057 O O   . ILE A 1 121 ? -29.718 -12.195 -3.694  1.00 26.90 ? 127 ILE B O   1 
ATOM   1058 C CB  . ILE A 1 121 ? -28.521 -12.585 -6.524  1.00 21.74 ? 127 ILE B CB  1 
ATOM   1059 C CG1 . ILE A 1 121 ? -28.110 -13.459 -7.726  1.00 19.68 ? 127 ILE B CG1 1 
ATOM   1060 C CG2 . ILE A 1 121 ? -27.952 -11.170 -6.575  1.00 27.34 ? 127 ILE B CG2 1 
ATOM   1061 C CD1 . ILE A 1 121 ? -28.240 -12.783 -9.087  1.00 19.83 ? 127 ILE B CD1 1 
ATOM   1062 N N   . GLN A 1 122 ? -27.568 -12.024 -3.111  1.00 25.56 ? 128 GLN B N   1 
ATOM   1063 C CA  . GLN A 1 122 ? -27.842 -11.221 -1.879  1.00 28.64 ? 128 GLN B CA  1 
ATOM   1064 C C   . GLN A 1 122 ? -27.789 -9.733  -2.237  1.00 24.92 ? 128 GLN B C   1 
ATOM   1065 O O   . GLN A 1 122 ? -28.595 -8.954  -1.647  1.00 25.61 ? 128 GLN B O   1 
ATOM   1066 C CB  . GLN A 1 122 ? -26.832 -11.607 -0.794  1.00 34.08 ? 128 GLN B CB  1 
ATOM   1067 C CG  . GLN A 1 122 ? -26.998 -10.835 0.529   1.00 46.14 ? 128 GLN B CG  1 
ATOM   1068 C CD  . GLN A 1 122 ? -28.336 -10.984 1.234   1.00 52.10 ? 128 GLN B CD  1 
ATOM   1069 O OE1 . GLN A 1 122 ? -29.144 -11.870 0.942   1.00 56.24 ? 128 GLN B OE1 1 
ATOM   1070 N NE2 . GLN A 1 122 ? -28.592 -10.096 2.187   1.00 53.77 ? 128 GLN B NE2 1 
ATOM   1071 N N   . VAL A 1 123 ? -26.970 -9.367  -3.214  1.00 21.18 ? 129 VAL B N   1 
ATOM   1072 C CA  . VAL A 1 123 ? -26.801 -7.937  -3.636  1.00 18.97 ? 129 VAL B CA  1 
ATOM   1073 C C   . VAL A 1 123 ? -27.374 -7.740  -5.042  1.00 18.26 ? 129 VAL B C   1 
ATOM   1074 O O   . VAL A 1 123 ? -26.752 -8.208  -5.993  1.00 17.26 ? 129 VAL B O   1 
ATOM   1075 C CB  . VAL A 1 123 ? -25.329 -7.526  -3.583  1.00 21.10 ? 129 VAL B CB  1 
ATOM   1076 C CG1 . VAL A 1 123 ? -25.088 -6.115  -4.139  1.00 22.23 ? 129 VAL B CG1 1 
ATOM   1077 C CG2 . VAL A 1 123 ? -24.793 -7.639  -2.164  1.00 23.98 ? 129 VAL B CG2 1 
ATOM   1078 N N   . PRO A 1 124 ? -28.591 -7.200  -5.240  1.00 17.45 ? 130 PRO B N   1 
ATOM   1079 C CA  . PRO A 1 124 ? -29.166 -7.073  -6.585  1.00 18.18 ? 130 PRO B CA  1 
ATOM   1080 C C   . PRO A 1 124 ? -28.173 -6.402  -7.505  1.00 17.36 ? 130 PRO B C   1 
ATOM   1081 O O   . PRO A 1 124 ? -27.645 -5.350  -7.225  1.00 17.54 ? 130 PRO B O   1 
ATOM   1082 C CB  . PRO A 1 124 ? -30.399 -6.183  -6.329  1.00 21.05 ? 130 PRO B CB  1 
ATOM   1083 C CG  . PRO A 1 124 ? -30.822 -6.634  -4.940  1.00 20.50 ? 130 PRO B CG  1 
ATOM   1084 C CD  . PRO A 1 124 ? -29.530 -6.739  -4.197  1.00 20.27 ? 130 PRO B CD  1 
ATOM   1085 N N   . PRO A 1 125 ? -27.782 -7.019  -8.632  1.00 14.82 ? 131 PRO B N   1 
ATOM   1086 C CA  . PRO A 1 125 ? -26.785 -6.425  -9.496  1.00 14.60 ? 131 PRO B CA  1 
ATOM   1087 C C   . PRO A 1 125 ? -27.268 -5.204  -10.282 1.00 14.20 ? 131 PRO B C   1 
ATOM   1088 O O   . PRO A 1 125 ? -28.390 -5.233  -10.774 1.00 15.52 ? 131 PRO B O   1 
ATOM   1089 C CB  . PRO A 1 125 ? -26.380 -7.583  -10.446 1.00 15.75 ? 131 PRO B CB  1 
ATOM   1090 C CG  . PRO A 1 125 ? -27.473 -8.579  -10.313 1.00 17.49 ? 131 PRO B CG  1 
ATOM   1091 C CD  . PRO A 1 125 ? -28.116 -8.407  -8.970  1.00 15.65 ? 131 PRO B CD  1 
ATOM   1092 N N   . CYS A 1 126 ? -26.387 -4.216  -10.414 1.00 14.43 ? 132 CYS B N   1 
ATOM   1093 C CA  . CYS A 1 126 ? -26.609 -3.102  -11.372 1.00 14.58 ? 132 CYS B CA  1 
ATOM   1094 C C   . CYS A 1 126 ? -25.837 -3.348  -12.669 1.00 14.10 ? 132 CYS B C   1 
ATOM   1095 O O   . CYS A 1 126 ? -26.165 -2.764  -13.697 1.00 13.09 ? 132 CYS B O   1 
ATOM   1096 C CB  . CYS A 1 126 ? -26.194 -1.775  -10.762 1.00 17.89 ? 132 CYS B CB  1 
ATOM   1097 S SG  . CYS A 1 126 ? -27.222 -1.336  -9.325  1.00 24.92 ? 132 CYS B SG  1 
ATOM   1098 N N   A GLN A 1 127 ? -24.767 -4.157  -12.630 0.25 13.84 ? 133 GLN B N   1 
ATOM   1099 N N   B GLN A 1 127 ? -24.863 -4.258  -12.600 0.25 14.36 ? 133 GLN B N   1 
ATOM   1100 C CA  A GLN A 1 127 ? -24.014 -4.568  -13.850 0.25 14.08 ? 133 GLN B CA  1 
ATOM   1101 C CA  B GLN A 1 127 ? -23.994 -4.616  -13.741 0.25 15.20 ? 133 GLN B CA  1 
ATOM   1102 C C   A GLN A 1 127 ? -23.636 -6.048  -13.732 0.25 13.31 ? 133 GLN B C   1 
ATOM   1103 C C   B GLN A 1 127 ? -23.749 -6.125  -13.683 0.25 13.95 ? 133 GLN B C   1 
ATOM   1104 O O   A GLN A 1 127 ? -23.229 -6.489  -12.639 0.25 12.26 ? 133 GLN B O   1 
ATOM   1105 O O   B GLN A 1 127 ? -23.647 -6.698  -12.568 0.25 12.42 ? 133 GLN B O   1 
ATOM   1106 C CB  A GLN A 1 127 ? -22.732 -3.770  -14.126 0.25 15.47 ? 133 GLN B CB  1 
ATOM   1107 C CB  B GLN A 1 127 ? -22.705 -3.791  -13.729 0.25 18.09 ? 133 GLN B CB  1 
ATOM   1108 C CG  A GLN A 1 127 ? -22.921 -2.275  -14.343 0.25 16.61 ? 133 GLN B CG  1 
ATOM   1109 C CG  B GLN A 1 127 ? -22.941 -2.293  -13.835 0.25 20.19 ? 133 GLN B CG  1 
ATOM   1110 C CD  A GLN A 1 127 ? -22.819 -1.526  -13.037 0.25 18.25 ? 133 GLN B CD  1 
ATOM   1111 C CD  B GLN A 1 127 ? -21.727 -1.508  -14.269 0.25 22.05 ? 133 GLN B CD  1 
ATOM   1112 O OE1 A GLN A 1 127 ? -22.088 -1.924  -12.133 0.25 18.76 ? 133 GLN B OE1 1 
ATOM   1113 O OE1 B GLN A 1 127 ? -20.624 -2.031  -14.406 0.25 27.27 ? 133 GLN B OE1 1 
ATOM   1114 N NE2 A GLN A 1 127 ? -23.581 -0.448  -12.926 0.25 18.77 ? 133 GLN B NE2 1 
ATOM   1115 N NE2 B GLN A 1 127 ? -21.931 -0.226  -14.488 0.25 24.56 ? 133 GLN B NE2 1 
ATOM   1116 N N   . ILE A 1 128 ? -23.784 -6.751  -14.860 1.00 12.44 ? 134 ILE B N   1 
ATOM   1117 C CA  . ILE A 1 128 ? -23.602 -8.216  -15.022 1.00 12.07 ? 134 ILE B CA  1 
ATOM   1118 C C   . ILE A 1 128 ? -22.389 -8.384  -15.941 1.00 12.93 ? 134 ILE B C   1 
ATOM   1119 O O   . ILE A 1 128 ? -22.322 -7.772  -17.047 1.00 11.67 ? 134 ILE B O   1 
ATOM   1120 C CB  . ILE A 1 128 ? -24.860 -8.843  -15.636 1.00 12.93 ? 134 ILE B CB  1 
ATOM   1121 C CG1 . ILE A 1 128 ? -26.158 -8.658  -14.831 1.00 15.08 ? 134 ILE B CG1 1 
ATOM   1122 C CG2 . ILE A 1 128 ? -24.591 -10.328 -15.947 1.00 13.78 ? 134 ILE B CG2 1 
ATOM   1123 C CD1 . ILE A 1 128 ? -26.193 -9.431  -13.599 1.00 14.89 ? 134 ILE B CD1 1 
ATOM   1124 N N   . GLY A 1 129 ? -21.446 -9.249  -15.544 1.00 12.11 ? 135 GLY B N   1 
ATOM   1125 C CA  . GLY A 1 129 ? -20.384 -9.700  -16.446 1.00 11.72 ? 135 GLY B CA  1 
ATOM   1126 C C   . GLY A 1 129 ? -20.682 -11.062 -17.018 1.00 11.47 ? 135 GLY B C   1 
ATOM   1127 O O   . GLY A 1 129 ? -21.232 -11.928 -16.330 1.00 11.54 ? 135 GLY B O   1 
ATOM   1128 N N   . ILE A 1 130 ? -20.412 -11.220 -18.314 1.00 11.47 ? 136 ILE B N   1 
ATOM   1129 C CA  . ILE A 1 130 ? -20.679 -12.476 -19.082 1.00 10.77 ? 136 ILE B CA  1 
ATOM   1130 C C   . ILE A 1 130 ? -19.366 -12.957 -19.672 1.00 11.55 ? 136 ILE B C   1 
ATOM   1131 O O   . ILE A 1 130 ? -18.681 -12.206 -20.351 1.00 11.90 ? 136 ILE B O   1 
ATOM   1132 C CB  . ILE A 1 130 ? -21.725 -12.239 -20.184 1.00 11.61 ? 136 ILE B CB  1 
ATOM   1133 C CG1 . ILE A 1 130 ? -23.002 -11.723 -19.538 1.00 12.87 ? 136 ILE B CG1 1 
ATOM   1134 C CG2 . ILE A 1 130 ? -21.997 -13.517 -20.976 1.00 12.53 ? 136 ILE B CG2 1 
ATOM   1135 C CD1 . ILE A 1 130 ? -24.024 -11.331 -20.499 1.00 15.24 ? 136 ILE B CD1 1 
ATOM   1136 N N   . PHE A 1 131 ? -19.000 -14.169 -19.319 1.00 11.55 ? 137 PHE B N   1 
ATOM   1137 C CA  . PHE A 1 131 ? -17.764 -14.832 -19.790 1.00 11.06 ? 137 PHE B CA  1 
ATOM   1138 C C   . PHE A 1 131 ? -18.130 -16.077 -20.585 1.00 10.77 ? 137 PHE B C   1 
ATOM   1139 O O   . PHE A 1 131 ? -18.895 -16.931 -20.111 1.00 11.48 ? 137 PHE B O   1 
ATOM   1140 C CB  . PHE A 1 131 ? -16.886 -15.219 -18.601 1.00 12.17 ? 137 PHE B CB  1 
ATOM   1141 C CG  . PHE A 1 131 ? -15.645 -15.995 -18.970 1.00 13.23 ? 137 PHE B CG  1 
ATOM   1142 C CD1 . PHE A 1 131 ? -14.624 -15.371 -19.642 1.00 15.02 ? 137 PHE B CD1 1 
ATOM   1143 C CD2 . PHE A 1 131 ? -15.472 -17.306 -18.565 1.00 14.47 ? 137 PHE B CD2 1 
ATOM   1144 C CE1 . PHE A 1 131 ? -13.468 -16.086 -19.965 1.00 16.40 ? 137 PHE B CE1 1 
ATOM   1145 C CE2 . PHE A 1 131 ? -14.350 -18.041 -18.938 1.00 16.39 ? 137 PHE B CE2 1 
ATOM   1146 C CZ  . PHE A 1 131 ? -13.344 -17.403 -19.606 1.00 15.81 ? 137 PHE B CZ  1 
ATOM   1147 N N   . VAL A 1 132 ? -17.539 -16.206 -21.773 1.00 11.36 ? 138 VAL B N   1 
ATOM   1148 C CA  . VAL A 1 132 ? -17.706 -17.388 -22.651 1.00 11.66 ? 138 VAL B CA  1 
ATOM   1149 C C   . VAL A 1 132 ? -16.331 -17.985 -22.926 1.00 10.65 ? 138 VAL B C   1 
ATOM   1150 O O   . VAL A 1 132 ? -15.456 -17.284 -23.412 1.00 13.37 ? 138 VAL B O   1 
ATOM   1151 C CB  . VAL A 1 132 ? -18.436 -17.051 -23.955 1.00 12.12 ? 138 VAL B CB  1 
ATOM   1152 C CG1 . VAL A 1 132 ? -18.577 -18.306 -24.798 1.00 13.46 ? 138 VAL B CG1 1 
ATOM   1153 C CG2 . VAL A 1 132 ? -19.791 -16.400 -23.683 1.00 13.33 ? 138 VAL B CG2 1 
ATOM   1154 N N   . ASP A 1 133 ? -16.187 -19.262 -22.637 1.00 11.43 ? 139 ASP B N   1 
ATOM   1155 C CA  . ASP A 1 133 ? -14.997 -20.059 -23.070 1.00 12.66 ? 139 ASP B CA  1 
ATOM   1156 C C   . ASP A 1 133 ? -15.508 -21.089 -24.069 1.00 11.09 ? 139 ASP B C   1 
ATOM   1157 O O   . ASP A 1 133 ? -16.142 -22.080 -23.712 1.00 11.67 ? 139 ASP B O   1 
ATOM   1158 C CB  . ASP A 1 133 ? -14.271 -20.657 -21.892 1.00 12.45 ? 139 ASP B CB  1 
ATOM   1159 C CG  . ASP A 1 133 ? -13.007 -21.429 -22.269 1.00 15.13 ? 139 ASP B CG  1 
ATOM   1160 O OD1 . ASP A 1 133 ? -12.900 -21.884 -23.450 1.00 16.22 ? 139 ASP B OD1 1 
ATOM   1161 O OD2 . ASP A 1 133 ? -12.179 -21.563 -21.321 1.00 20.00 ? 139 ASP B OD2 1 
ATOM   1162 N N   . TYR A 1 134 ? -15.293 -20.784 -25.362 1.00 12.23 ? 140 TYR B N   1 
ATOM   1163 C CA  . TYR A 1 134 ? -15.865 -21.621 -26.433 1.00 12.31 ? 140 TYR B CA  1 
ATOM   1164 C C   . TYR A 1 134 ? -15.333 -23.065 -26.360 1.00 13.47 ? 140 TYR B C   1 
ATOM   1165 O O   . TYR A 1 134 ? -16.079 -23.998 -26.354 1.00 14.75 ? 140 TYR B O   1 
ATOM   1166 C CB  . TYR A 1 134 ? -15.607 -20.994 -27.811 1.00 12.83 ? 140 TYR B CB  1 
ATOM   1167 C CG  . TYR A 1 134 ? -16.551 -21.573 -28.843 1.00 12.75 ? 140 TYR B CG  1 
ATOM   1168 C CD1 . TYR A 1 134 ? -16.378 -22.843 -29.368 1.00 13.45 ? 140 TYR B CD1 1 
ATOM   1169 C CD2 . TYR A 1 134 ? -17.683 -20.884 -29.277 1.00 12.69 ? 140 TYR B CD2 1 
ATOM   1170 C CE1 . TYR A 1 134 ? -17.270 -23.406 -30.245 1.00 12.62 ? 140 TYR B CE1 1 
ATOM   1171 C CE2 . TYR A 1 134 ? -18.598 -21.447 -30.142 1.00 12.18 ? 140 TYR B CE2 1 
ATOM   1172 C CZ  . TYR A 1 134 ? -18.392 -22.708 -30.664 1.00 12.47 ? 140 TYR B CZ  1 
ATOM   1173 O OH  . TYR A 1 134 ? -19.288 -23.304 -31.493 1.00 12.98 ? 140 TYR B OH  1 
ATOM   1174 N N   . GLU A 1 135 ? -14.028 -23.178 -26.243 1.00 15.12 ? 141 GLU B N   1 
ATOM   1175 C CA  . GLU A 1 135 ? -13.376 -24.515 -26.290 1.00 16.04 ? 141 GLU B CA  1 
ATOM   1176 C C   . GLU A 1 135 ? -13.796 -25.333 -25.082 1.00 15.56 ? 141 GLU B C   1 
ATOM   1177 O O   . GLU A 1 135 ? -14.124 -26.511 -25.250 1.00 18.58 ? 141 GLU B O   1 
ATOM   1178 C CB  . GLU A 1 135 ? -11.863 -24.381 -26.351 1.00 18.26 ? 141 GLU B CB  1 
ATOM   1179 C CG  . GLU A 1 135 ? -11.380 -24.181 -27.798 1.00 26.20 ? 141 GLU B CG  1 
ATOM   1180 C CD  . GLU A 1 135 ? -11.845 -22.912 -28.416 1.00 28.73 ? 141 GLU B CD  1 
ATOM   1181 O OE1 . GLU A 1 135 ? -12.188 -22.930 -29.549 1.00 24.38 ? 141 GLU B OE1 1 
ATOM   1182 O OE2 . GLU A 1 135 ? -11.891 -21.889 -27.698 1.00 31.81 ? 141 GLU B OE2 1 
ATOM   1183 N N   . ALA A 1 136 ? -13.882 -24.721 -23.900 1.00 14.35 ? 142 ALA B N   1 
ATOM   1184 C CA  . ALA A 1 136 ? -14.256 -25.429 -22.672 1.00 14.88 ? 142 ALA B CA  1 
ATOM   1185 C C   . ALA A 1 136 ? -15.760 -25.725 -22.595 1.00 14.64 ? 142 ALA B C   1 
ATOM   1186 O O   . ALA A 1 136 ? -16.162 -26.578 -21.812 1.00 17.03 ? 142 ALA B O   1 
ATOM   1187 C CB  . ALA A 1 136 ? -13.833 -24.619 -21.473 1.00 16.60 ? 142 ALA B CB  1 
ATOM   1188 N N   . GLY A 1 137 ? -16.593 -25.071 -23.391 1.00 12.44 ? 143 GLY B N   1 
ATOM   1189 C CA  . GLY A 1 137 ? -18.047 -25.198 -23.289 1.00 11.77 ? 143 GLY B CA  1 
ATOM   1190 C C   . GLY A 1 137 ? -18.608 -24.571 -22.006 1.00 11.16 ? 143 GLY B C   1 
ATOM   1191 O O   . GLY A 1 137 ? -19.374 -25.275 -21.341 1.00 12.18 ? 143 GLY B O   1 
ATOM   1192 N N   . VAL A 1 138 ? -18.190 -23.357 -21.697 1.00 11.68 ? 144 VAL B N   1 
ATOM   1193 C CA  . VAL A 1 138 ? -18.591 -22.670 -20.438 1.00 11.58 ? 144 VAL B CA  1 
ATOM   1194 C C   . VAL A 1 138 ? -19.175 -21.307 -20.773 1.00 11.01 ? 144 VAL B C   1 
ATOM   1195 O O   . VAL A 1 138 ? -18.588 -20.517 -21.553 1.00 12.31 ? 144 VAL B O   1 
ATOM   1196 C CB  . VAL A 1 138 ? -17.359 -22.512 -19.538 1.00 12.57 ? 144 VAL B CB  1 
ATOM   1197 C CG1 . VAL A 1 138 ? -17.627 -21.543 -18.373 1.00 13.71 ? 144 VAL B CG1 1 
ATOM   1198 C CG2 . VAL A 1 138 ? -16.899 -23.886 -19.056 1.00 14.47 ? 144 VAL B CG2 1 
ATOM   1199 N N   . VAL A 1 139 ? -20.264 -20.997 -20.086 1.00 10.90 ? 145 VAL B N   1 
ATOM   1200 C CA  . VAL A 1 139 ? -20.824 -19.608 -20.010 1.00 10.80 ? 145 VAL B CA  1 
ATOM   1201 C C   . VAL A 1 139 ? -21.043 -19.241 -18.531 1.00 10.06 ? 145 VAL B C   1 
ATOM   1202 O O   . VAL A 1 139 ? -21.796 -19.973 -17.853 1.00 10.57 ? 145 VAL B O   1 
ATOM   1203 C CB  . VAL A 1 139 ? -22.147 -19.482 -20.790 1.00 10.70 ? 145 VAL B CB  1 
ATOM   1204 C CG1 . VAL A 1 139 ? -22.637 -18.024 -20.782 1.00 10.79 ? 145 VAL B CG1 1 
ATOM   1205 C CG2 . VAL A 1 139 ? -22.017 -20.003 -22.213 1.00 10.94 ? 145 VAL B CG2 1 
ATOM   1206 N N   . SER A 1 140 ? -20.393 -18.202 -18.063 1.00 9.88  ? 146 SER B N   1 
ATOM   1207 C CA  . SER A 1 140 ? -20.473 -17.790 -16.650 1.00 10.76 ? 146 SER B CA  1 
ATOM   1208 C C   . SER A 1 140 ? -20.934 -16.340 -16.554 1.00 10.22 ? 146 SER B C   1 
ATOM   1209 O O   . SER A 1 140 ? -20.647 -15.514 -17.405 1.00 11.12 ? 146 SER B O   1 
ATOM   1210 C CB  . SER A 1 140 ? -19.157 -17.986 -15.940 1.00 10.86 ? 146 SER B CB  1 
ATOM   1211 O OG  . SER A 1 140 ? -18.814 -19.376 -15.844 1.00 12.38 ? 146 SER B OG  1 
ATOM   1212 N N   . PHE A 1 141 ? -21.630 -16.073 -15.463 1.00 10.03 ? 147 PHE B N   1 
ATOM   1213 C CA  . PHE A 1 141 ? -22.250 -14.785 -15.138 1.00 10.73 ? 147 PHE B CA  1 
ATOM   1214 C C   . PHE A 1 141 ? -21.700 -14.308 -13.808 1.00 10.33 ? 147 PHE B C   1 
ATOM   1215 O O   . PHE A 1 141 ? -21.710 -15.091 -12.829 1.00 10.49 ? 147 PHE B O   1 
ATOM   1216 C CB  . PHE A 1 141 ? -23.789 -14.884 -15.122 1.00 10.21 ? 147 PHE B CB  1 
ATOM   1217 C CG  . PHE A 1 141 ? -24.382 -15.261 -16.451 1.00 9.92  ? 147 PHE B CG  1 
ATOM   1218 C CD1 . PHE A 1 141 ? -24.429 -16.600 -16.836 1.00 9.71  ? 147 PHE B CD1 1 
ATOM   1219 C CD2 . PHE A 1 141 ? -24.886 -14.291 -17.308 1.00 9.64  ? 147 PHE B CD2 1 
ATOM   1220 C CE1 . PHE A 1 141 ? -24.936 -16.954 -18.078 1.00 10.13 ? 147 PHE B CE1 1 
ATOM   1221 C CE2 . PHE A 1 141 ? -25.412 -14.665 -18.544 1.00 9.36  ? 147 PHE B CE2 1 
ATOM   1222 C CZ  . PHE A 1 141 ? -25.440 -15.990 -18.927 1.00 9.41  ? 147 PHE B CZ  1 
ATOM   1223 N N   . TYR A 1 142 ? -21.407 -13.028 -13.716 1.00 10.98 ? 148 TYR B N   1 
ATOM   1224 C CA  . TYR A 1 142 ? -20.733 -12.401 -12.554 1.00 12.17 ? 148 TYR B CA  1 
ATOM   1225 C C   . TYR A 1 142 ? -21.521 -11.165 -12.124 1.00 13.44 ? 148 TYR B C   1 
ATOM   1226 O O   . TYR A 1 142 ? -21.997 -10.364 -12.928 1.00 12.96 ? 148 TYR B O   1 
ATOM   1227 C CB  . TYR A 1 142 ? -19.260 -12.107 -12.827 1.00 12.93 ? 148 TYR B CB  1 
ATOM   1228 C CG  . TYR A 1 142 ? -18.458 -13.351 -13.115 1.00 13.19 ? 148 TYR B CG  1 
ATOM   1229 C CD1 . TYR A 1 142 ? -17.941 -14.112 -12.091 1.00 13.20 ? 148 TYR B CD1 1 
ATOM   1230 C CD2 . TYR A 1 142 ? -18.284 -13.814 -14.410 1.00 13.72 ? 148 TYR B CD2 1 
ATOM   1231 C CE1 . TYR A 1 142 ? -17.275 -15.299 -12.352 1.00 14.00 ? 148 TYR B CE1 1 
ATOM   1232 C CE2 . TYR A 1 142 ? -17.578 -14.966 -14.693 1.00 13.82 ? 148 TYR B CE2 1 
ATOM   1233 C CZ  . TYR A 1 142 ? -17.045 -15.710 -13.654 1.00 14.32 ? 148 TYR B CZ  1 
ATOM   1234 O OH  . TYR A 1 142 ? -16.398 -16.906 -13.889 1.00 16.50 ? 148 TYR B OH  1 
ATOM   1235 N N   . ASN A 1 143 ? -21.550 -10.926 -10.816 1.00 13.50 ? 149 ASN B N   1 
ATOM   1236 C CA  . ASN A 1 143 ? -22.244 -9.769  -10.165 1.00 13.43 ? 149 ASN B CA  1 
ATOM   1237 C C   . ASN A 1 143 ? -21.210 -8.661  -9.988  1.00 13.34 ? 149 ASN B C   1 
ATOM   1238 O O   . ASN A 1 143 ? -20.436 -8.682  -8.988  1.00 15.09 ? 149 ASN B O   1 
ATOM   1239 C CB  . ASN A 1 143 ? -22.888 -10.214 -8.859  1.00 13.20 ? 149 ASN B CB  1 
ATOM   1240 C CG  . ASN A 1 143 ? -23.698 -9.125  -8.176  1.00 13.61 ? 149 ASN B CG  1 
ATOM   1241 O OD1 . ASN A 1 143 ? -23.511 -7.961  -8.536  1.00 15.29 ? 149 ASN B OD1 1 
ATOM   1242 N ND2 . ASN A 1 143 ? -24.593 -9.523  -7.320  1.00 14.96 ? 149 ASN B ND2 1 
ATOM   1243 N N   . ILE A 1 144 ? -21.121 -7.681  -10.868 1.00 14.58 ? 150 ILE B N   1 
ATOM   1244 C CA  . ILE A 1 144 ? -20.042 -6.666  -10.827 1.00 15.65 ? 150 ILE B CA  1 
ATOM   1245 C C   . ILE A 1 144 ? -20.291 -5.786  -9.581  1.00 17.64 ? 150 ILE B C   1 
ATOM   1246 O O   . ILE A 1 144 ? -19.288 -5.328  -8.992  1.00 19.32 ? 150 ILE B O   1 
ATOM   1247 C CB  . ILE A 1 144 ? -20.037 -5.864  -12.135 1.00 16.59 ? 150 ILE B CB  1 
ATOM   1248 C CG1 . ILE A 1 144 ? -19.865 -6.755  -13.374 1.00 17.09 ? 150 ILE B CG1 1 
ATOM   1249 C CG2 . ILE A 1 144 ? -19.005 -4.741  -12.094 1.00 18.85 ? 150 ILE B CG2 1 
ATOM   1250 C CD1 . ILE A 1 144 ? -18.817 -7.818  -13.239 1.00 20.83 ? 150 ILE B CD1 1 
ATOM   1251 N N   . THR A 1 145 ? -21.539 -5.589  -9.185  1.00 16.62 ? 151 THR B N   1 
ATOM   1252 C CA  . THR A 1 145 ? -21.924 -4.735  -8.010  1.00 17.73 ? 151 THR B CA  1 
ATOM   1253 C C   . THR A 1 145 ? -21.364 -5.377  -6.744  1.00 21.05 ? 151 THR B C   1 
ATOM   1254 O O   . THR A 1 145 ? -20.995 -4.618  -5.813  1.00 24.24 ? 151 THR B O   1 
ATOM   1255 C CB  . THR A 1 145 ? -23.451 -4.581  -7.955  1.00 16.72 ? 151 THR B CB  1 
ATOM   1256 O OG1 . THR A 1 145 ? -23.895 -4.102  -9.225  1.00 17.39 ? 151 THR B OG1 1 
ATOM   1257 C CG2 . THR A 1 145 ? -23.851 -3.579  -6.884  1.00 18.10 ? 151 THR B CG2 1 
ATOM   1258 N N   . ASP A 1 146 ? -21.285 -6.701  -6.672  1.00 19.31 ? 152 ASP B N   1 
ATOM   1259 C CA  . ASP A 1 146 ? -20.808 -7.477  -5.489  1.00 20.27 ? 152 ASP B CA  1 
ATOM   1260 C C   . ASP A 1 146 ? -19.399 -8.032  -5.753  1.00 20.07 ? 152 ASP B C   1 
ATOM   1261 O O   . ASP A 1 146 ? -19.227 -9.248  -5.626  1.00 21.81 ? 152 ASP B O   1 
ATOM   1262 C CB  . ASP A 1 146 ? -21.841 -8.496  -5.095  1.00 19.34 ? 152 ASP B CB  1 
ATOM   1263 C CG  . ASP A 1 146 ? -21.450 -9.300  -3.881  1.00 25.23 ? 152 ASP B CG  1 
ATOM   1264 O OD1 . ASP A 1 146 ? -20.961 -8.679  -2.915  1.00 25.37 ? 152 ASP B OD1 1 
ATOM   1265 O OD2 . ASP A 1 146 ? -21.634 -10.520 -3.943  1.00 24.59 ? 152 ASP B OD2 1 
ATOM   1266 N N   . HIS A 1 147 ? -18.458 -7.179  -6.120  1.00 21.87 ? 153 HIS B N   1 
ATOM   1267 C CA  . HIS A 1 147 ? -17.010 -7.522  -6.231  1.00 26.12 ? 153 HIS B CA  1 
ATOM   1268 C C   . HIS A 1 147 ? -16.848 -8.688  -7.211  1.00 24.97 ? 153 HIS B C   1 
ATOM   1269 O O   . HIS A 1 147 ? -15.959 -9.528  -7.018  1.00 25.44 ? 153 HIS B O   1 
ATOM   1270 C CB  . HIS A 1 147 ? -16.393 -7.918  -4.870  1.00 31.43 ? 153 HIS B CB  1 
ATOM   1271 C CG  . HIS A 1 147 ? -16.704 -7.036  -3.696  1.00 38.30 ? 153 HIS B CG  1 
ATOM   1272 N ND1 . HIS A 1 147 ? -16.025 -5.847  -3.455  1.00 43.06 ? 153 HIS B ND1 1 
ATOM   1273 C CD2 . HIS A 1 147 ? -17.570 -7.195  -2.666  1.00 40.86 ? 153 HIS B CD2 1 
ATOM   1274 C CE1 . HIS A 1 147 ? -16.488 -5.292  -2.349  1.00 46.33 ? 153 HIS B CE1 1 
ATOM   1275 N NE2 . HIS A 1 147 ? -17.439 -6.101  -1.841  1.00 42.94 ? 153 HIS B NE2 1 
ATOM   1276 N N   . GLY A 1 148 ? -17.703 -8.795  -8.229  1.00 19.89 ? 154 GLY B N   1 
ATOM   1277 C CA  . GLY A 1 148 ? -17.483 -9.812  -9.275  1.00 17.80 ? 154 GLY B CA  1 
ATOM   1278 C C   . GLY A 1 148 ? -17.893 -11.206 -8.862  1.00 15.52 ? 154 GLY B C   1 
ATOM   1279 O O   . GLY A 1 148 ? -17.353 -12.113 -9.468  1.00 16.96 ? 154 GLY B O   1 
ATOM   1280 N N   . SER A 1 149 ? -18.702 -11.373 -7.843  1.00 15.40 ? 155 SER B N   1 
ATOM   1281 C CA  . SER A 1 149 ? -19.064 -12.699 -7.295  1.00 13.99 ? 155 SER B CA  1 
ATOM   1282 C C   . SER A 1 149 ? -19.756 -13.543 -8.378  1.00 14.95 ? 155 SER B C   1 
ATOM   1283 O O   . SER A 1 149 ? -20.553 -13.018 -9.197  1.00 14.02 ? 155 SER B O   1 
ATOM   1284 C CB  . SER A 1 149 ? -19.914 -12.606 -6.058  1.00 15.28 ? 155 SER B CB  1 
ATOM   1285 O OG  . SER A 1 149 ? -21.102 -11.853 -6.257  1.00 17.49 ? 155 SER B OG  1 
ATOM   1286 N N   . LEU A 1 150 ? -19.513 -14.823 -8.405  1.00 13.89 ? 156 LEU B N   1 
ATOM   1287 C CA  . LEU A 1 150 ? -20.193 -15.732 -9.371  1.00 12.53 ? 156 LEU B CA  1 
ATOM   1288 C C   . LEU A 1 150 ? -21.685 -15.782 -9.096  1.00 12.57 ? 156 LEU B C   1 
ATOM   1289 O O   . LEU A 1 150 ? -22.186 -16.008 -7.976  1.00 13.54 ? 156 LEU B O   1 
ATOM   1290 C CB  . LEU A 1 150 ? -19.612 -17.146 -9.222  1.00 13.17 ? 156 LEU B CB  1 
ATOM   1291 C CG  . LEU A 1 150 ? -20.174 -18.200 -10.194 1.00 13.20 ? 156 LEU B CG  1 
ATOM   1292 C CD1 . LEU A 1 150 ? -19.812 -17.924 -11.635 1.00 13.39 ? 156 LEU B CD1 1 
ATOM   1293 C CD2 . LEU A 1 150 ? -19.612 -19.590 -9.799  1.00 14.71 ? 156 LEU B CD2 1 
ATOM   1294 N N   . ILE A 1 151 ? -22.463 -15.652 -10.174 1.00 11.16 ? 157 ILE B N   1 
ATOM   1295 C CA  . ILE A 1 151 ? -23.915 -15.868 -10.206 1.00 11.62 ? 157 ILE B CA  1 
ATOM   1296 C C   . ILE A 1 151 ? -24.248 -17.285 -10.666 1.00 10.38 ? 157 ILE B C   1 
ATOM   1297 O O   . ILE A 1 151 ? -25.076 -17.985 -10.069 1.00 10.91 ? 157 ILE B O   1 
ATOM   1298 C CB  . ILE A 1 151 ? -24.597 -14.784 -11.078 1.00 12.03 ? 157 ILE B CB  1 
ATOM   1299 C CG1 . ILE A 1 151 ? -24.433 -13.390 -10.478 1.00 12.80 ? 157 ILE B CG1 1 
ATOM   1300 C CG2 . ILE A 1 151 ? -26.073 -15.122 -11.264 1.00 12.87 ? 157 ILE B CG2 1 
ATOM   1301 C CD1 . ILE A 1 151 ? -24.918 -12.281 -11.415 1.00 12.67 ? 157 ILE B CD1 1 
ATOM   1302 N N   . TYR A 1 152 ? -23.696 -17.707 -11.810 1.00 10.62 ? 158 TYR B N   1 
ATOM   1303 C CA  . TYR A 1 152 ? -24.110 -18.996 -12.405 1.00 9.89  ? 158 TYR B CA  1 
ATOM   1304 C C   . TYR A 1 152 ? -23.081 -19.396 -13.460 1.00 9.66  ? 158 TYR B C   1 
ATOM   1305 O O   . TYR A 1 152 ? -22.579 -18.518 -14.195 1.00 10.19 ? 158 TYR B O   1 
ATOM   1306 C CB  . TYR A 1 152 ? -25.486 -18.907 -13.141 1.00 10.28 ? 158 TYR B CB  1 
ATOM   1307 C CG  . TYR A 1 152 ? -26.040 -20.257 -13.466 1.00 10.27 ? 158 TYR B CG  1 
ATOM   1308 C CD1 . TYR A 1 152 ? -26.664 -21.041 -12.504 1.00 10.50 ? 158 TYR B CD1 1 
ATOM   1309 C CD2 . TYR A 1 152 ? -25.925 -20.802 -14.735 1.00 10.12 ? 158 TYR B CD2 1 
ATOM   1310 C CE1 . TYR A 1 152 ? -27.116 -22.302 -12.770 1.00 11.58 ? 158 TYR B CE1 1 
ATOM   1311 C CE2 . TYR A 1 152 ? -26.369 -22.069 -15.016 1.00 10.90 ? 158 TYR B CE2 1 
ATOM   1312 C CZ  . TYR A 1 152 ? -26.935 -22.841 -14.030 1.00 11.31 ? 158 TYR B CZ  1 
ATOM   1313 O OH  . TYR A 1 152 ? -27.347 -24.126 -14.268 1.00 13.96 ? 158 TYR B OH  1 
ATOM   1314 N N   . THR A 1 153 ? -22.815 -20.702 -13.566 1.00 9.80  ? 159 THR B N   1 
ATOM   1315 C CA  . THR A 1 153 ? -21.988 -21.312 -14.631 1.00 10.41 ? 159 THR B CA  1 
ATOM   1316 C C   . THR A 1 153 ? -22.754 -22.416 -15.327 1.00 10.54 ? 159 THR B C   1 
ATOM   1317 O O   . THR A 1 153 ? -23.161 -23.402 -14.717 1.00 11.15 ? 159 THR B O   1 
ATOM   1318 C CB  . THR A 1 153 ? -20.653 -21.877 -14.094 1.00 10.81 ? 159 THR B CB  1 
ATOM   1319 O OG1 . THR A 1 153 ? -19.874 -20.764 -13.680 1.00 11.30 ? 159 THR B OG1 1 
ATOM   1320 C CG2 . THR A 1 153 ? -19.901 -22.678 -15.147 1.00 12.40 ? 159 THR B CG2 1 
ATOM   1321 N N   . PHE A 1 154 ? -22.976 -22.241 -16.637 1.00 10.50 ? 160 PHE B N   1 
ATOM   1322 C CA  . PHE A 1 154 ? -23.364 -23.337 -17.546 1.00 10.28 ? 160 PHE B CA  1 
ATOM   1323 C C   . PHE A 1 154 ? -22.070 -24.037 -17.985 1.00 11.13 ? 160 PHE B C   1 
ATOM   1324 O O   . PHE A 1 154 ? -21.190 -23.395 -18.545 1.00 11.33 ? 160 PHE B O   1 
ATOM   1325 C CB  . PHE A 1 154 ? -24.057 -22.826 -18.810 1.00 10.77 ? 160 PHE B CB  1 
ATOM   1326 C CG  . PHE A 1 154 ? -25.421 -22.206 -18.631 1.00 9.18  ? 160 PHE B CG  1 
ATOM   1327 C CD1 . PHE A 1 154 ? -25.575 -20.859 -18.382 1.00 9.49  ? 160 PHE B CD1 1 
ATOM   1328 C CD2 . PHE A 1 154 ? -26.545 -22.954 -18.844 1.00 9.62  ? 160 PHE B CD2 1 
ATOM   1329 C CE1 . PHE A 1 154 ? -26.837 -20.302 -18.304 1.00 9.84  ? 160 PHE B CE1 1 
ATOM   1330 C CE2 . PHE A 1 154 ? -27.820 -22.404 -18.754 1.00 10.20 ? 160 PHE B CE2 1 
ATOM   1331 C CZ  . PHE A 1 154 ? -27.948 -21.070 -18.496 1.00 9.42  ? 160 PHE B CZ  1 
ATOM   1332 N N   . SER A 1 155 ? -21.992 -25.324 -17.685 1.00 12.52 ? 161 SER B N   1 
ATOM   1333 C CA  . SER A 1 155 ? -20.858 -26.125 -18.167 1.00 13.00 ? 161 SER B CA  1 
ATOM   1334 C C   . SER A 1 155 ? -21.377 -27.265 -19.025 1.00 12.86 ? 161 SER B C   1 
ATOM   1335 O O   . SER A 1 155 ? -22.571 -27.544 -19.116 1.00 14.80 ? 161 SER B O   1 
ATOM   1336 C CB  . SER A 1 155 ? -20.031 -26.562 -16.989 1.00 14.25 ? 161 SER B CB  1 
ATOM   1337 O OG  . SER A 1 155 ? -20.725 -27.505 -16.234 1.00 19.36 ? 161 SER B OG  1 
ATOM   1338 N N   . GLU A 1 156 ? -20.429 -27.910 -19.731 1.00 14.69 ? 162 GLU B N   1 
ATOM   1339 C CA  . GLU A 1 156 ? -20.774 -28.989 -20.703 1.00 16.09 ? 162 GLU B CA  1 
ATOM   1340 C C   . GLU A 1 156 ? -21.735 -28.423 -21.752 1.00 14.63 ? 162 GLU B C   1 
ATOM   1341 O O   . GLU A 1 156 ? -22.638 -29.155 -22.251 1.00 16.06 ? 162 GLU B O   1 
ATOM   1342 C CB  . GLU A 1 156 ? -21.391 -30.225 -20.043 1.00 20.27 ? 162 GLU B CB  1 
ATOM   1343 C CG  . GLU A 1 156 ? -20.736 -30.699 -18.756 1.00 26.33 ? 162 GLU B CG  1 
ATOM   1344 C CD  . GLU A 1 156 ? -21.452 -31.972 -18.339 1.00 38.02 ? 162 GLU B CD  1 
ATOM   1345 O OE1 . GLU A 1 156 ? -22.458 -31.883 -17.597 1.00 40.47 ? 162 GLU B OE1 1 
ATOM   1346 O OE2 . GLU A 1 156 ? -21.101 -33.032 -18.891 1.00 41.46 ? 162 GLU B OE2 1 
ATOM   1347 N N   . CYS A 1 157 ? -21.485 -27.175 -22.138 1.00 13.67 ? 163 CYS B N   1 
ATOM   1348 C CA  . CYS A 1 157 ? -22.355 -26.531 -23.142 1.00 12.57 ? 163 CYS B CA  1 
ATOM   1349 C C   . CYS A 1 157 ? -22.138 -27.178 -24.520 1.00 14.09 ? 163 CYS B C   1 
ATOM   1350 O O   . CYS A 1 157 ? -20.942 -27.438 -24.874 1.00 15.61 ? 163 CYS B O   1 
ATOM   1351 C CB  . CYS A 1 157 ? -22.153 -25.029 -23.288 1.00 11.70 ? 163 CYS B CB  1 
ATOM   1352 S SG  . CYS A 1 157 ? -22.526 -24.077 -21.798 1.00 12.52 ? 163 CYS B SG  1 
ATOM   1353 N N   . VAL A 1 158 ? -23.210 -27.378 -25.261 1.00 13.30 ? 164 VAL B N   1 
ATOM   1354 C CA  . VAL A 1 158 ? -23.109 -27.871 -26.660 1.00 14.48 ? 164 VAL B CA  1 
ATOM   1355 C C   . VAL A 1 158 ? -23.548 -26.714 -27.551 1.00 12.45 ? 164 VAL B C   1 
ATOM   1356 O O   . VAL A 1 158 ? -24.715 -26.593 -27.901 1.00 15.66 ? 164 VAL B O   1 
ATOM   1357 C CB  . VAL A 1 158 ? -23.885 -29.202 -26.820 1.00 16.84 ? 164 VAL B CB  1 
ATOM   1358 C CG1 . VAL A 1 158 ? -23.765 -29.673 -28.272 1.00 17.50 ? 164 VAL B CG1 1 
ATOM   1359 C CG2 . VAL A 1 158 ? -23.357 -30.248 -25.847 1.00 19.13 ? 164 VAL B CG2 1 
ATOM   1360 N N   . PHE A 1 159 ? -22.639 -25.819 -27.899 1.00 12.27 ? 165 PHE B N   1 
ATOM   1361 C CA  . PHE A 1 159 ? -22.948 -24.577 -28.645 1.00 12.86 ? 165 PHE B CA  1 
ATOM   1362 C C   . PHE A 1 159 ? -23.548 -24.952 -30.001 1.00 14.43 ? 165 PHE B C   1 
ATOM   1363 O O   . PHE A 1 159 ? -24.511 -24.332 -30.447 1.00 14.97 ? 165 PHE B O   1 
ATOM   1364 C CB  . PHE A 1 159 ? -21.741 -23.661 -28.661 1.00 12.85 ? 165 PHE B CB  1 
ATOM   1365 C CG  . PHE A 1 159 ? -21.296 -23.164 -27.297 1.00 11.56 ? 165 PHE B CG  1 
ATOM   1366 C CD1 . PHE A 1 159 ? -22.231 -22.667 -26.385 1.00 11.60 ? 165 PHE B CD1 1 
ATOM   1367 C CD2 . PHE A 1 159 ? -19.957 -23.197 -26.926 1.00 13.80 ? 165 PHE B CD2 1 
ATOM   1368 C CE1 . PHE A 1 159 ? -21.801 -22.187 -25.148 1.00 11.65 ? 165 PHE B CE1 1 
ATOM   1369 C CE2 . PHE A 1 159 ? -19.539 -22.729 -25.694 1.00 13.61 ? 165 PHE B CE2 1 
ATOM   1370 C CZ  . PHE A 1 159 ? -20.459 -22.192 -24.811 1.00 12.51 ? 165 PHE B CZ  1 
ATOM   1371 N N   . ALA A 1 160 ? -22.863 -25.828 -30.733 1.00 12.79 ? 166 ALA B N   1 
ATOM   1372 C CA  . ALA A 1 160 ? -23.309 -26.389 -32.031 1.00 14.12 ? 166 ALA B CA  1 
ATOM   1373 C C   . ALA A 1 160 ? -23.424 -25.308 -33.096 1.00 13.64 ? 166 ALA B C   1 
ATOM   1374 O O   . ALA A 1 160 ? -24.227 -25.497 -34.057 1.00 14.72 ? 166 ALA B O   1 
ATOM   1375 C CB  . ALA A 1 160 ? -24.579 -27.139 -31.872 1.00 14.63 ? 166 ALA B CB  1 
ATOM   1376 N N   . GLY A 1 161 ? -22.620 -24.288 -33.016 1.00 13.74 ? 167 GLY B N   1 
ATOM   1377 C CA  . GLY A 1 161 ? -22.608 -23.213 -34.012 1.00 14.44 ? 167 GLY B CA  1 
ATOM   1378 C C   . GLY A 1 161 ? -21.919 -21.979 -33.480 1.00 13.51 ? 167 GLY B C   1 
ATOM   1379 O O   . GLY A 1 161 ? -21.490 -21.923 -32.299 1.00 13.14 ? 167 GLY B O   1 
ATOM   1380 N N   . PRO A 1 162 ? -21.814 -20.942 -34.298 1.00 11.74 ? 168 PRO B N   1 
ATOM   1381 C CA  . PRO A 1 162 ? -21.320 -19.660 -33.846 1.00 11.58 ? 168 PRO B CA  1 
ATOM   1382 C C   . PRO A 1 162 ? -22.256 -19.092 -32.762 1.00 11.89 ? 168 PRO B C   1 
ATOM   1383 O O   . PRO A 1 162 ? -23.472 -19.334 -32.830 1.00 12.63 ? 168 PRO B O   1 
ATOM   1384 C CB  . PRO A 1 162 ? -21.315 -18.749 -35.073 1.00 11.99 ? 168 PRO B CB  1 
ATOM   1385 C CG  . PRO A 1 162 ? -21.470 -19.717 -36.244 1.00 11.99 ? 168 PRO B CG  1 
ATOM   1386 C CD  . PRO A 1 162 ? -22.221 -20.894 -35.720 1.00 11.52 ? 168 PRO B CD  1 
ATOM   1387 N N   . LEU A 1 163 ? -21.670 -18.330 -31.850 1.00 11.57 ? 169 LEU B N   1 
ATOM   1388 C CA  . LEU A 1 163 ? -22.450 -17.676 -30.749 1.00 10.77 ? 169 LEU B CA  1 
ATOM   1389 C C   . LEU A 1 163 ? -22.566 -16.187 -31.005 1.00 11.48 ? 169 LEU B C   1 
ATOM   1390 O O   . LEU A 1 163 ? -21.620 -15.549 -31.490 1.00 12.56 ? 169 LEU B O   1 
ATOM   1391 C CB  . LEU A 1 163 ? -21.767 -17.920 -29.408 1.00 11.97 ? 169 LEU B CB  1 
ATOM   1392 C CG  . LEU A 1 163 ? -21.801 -19.349 -28.891 1.00 12.20 ? 169 LEU B CG  1 
ATOM   1393 C CD1 . LEU A 1 163 ? -20.964 -19.431 -27.649 1.00 12.83 ? 169 LEU B CD1 1 
ATOM   1394 C CD2 . LEU A 1 163 ? -23.217 -19.838 -28.626 1.00 12.91 ? 169 LEU B CD2 1 
ATOM   1395 N N   . ARG A 1 164 ? -23.695 -15.627 -30.575 1.00 10.97 ? 170 ARG B N   1 
ATOM   1396 C CA  . ARG A 1 164 ? -23.917 -14.172 -30.571 1.00 10.99 ? 170 ARG B CA  1 
ATOM   1397 C C   . ARG A 1 164 ? -24.335 -13.692 -29.187 1.00 9.55  ? 170 ARG B C   1 
ATOM   1398 O O   . ARG A 1 164 ? -25.097 -14.370 -28.503 1.00 10.23 ? 170 ARG B O   1 
ATOM   1399 C CB  . ARG A 1 164 ? -24.976 -13.805 -31.608 1.00 12.39 ? 170 ARG B CB  1 
ATOM   1400 C CG  . ARG A 1 164 ? -24.486 -14.197 -33.007 1.00 14.53 ? 170 ARG B CG  1 
ATOM   1401 C CD  . ARG A 1 164 ? -25.400 -13.788 -34.121 1.00 16.12 ? 170 ARG B CD  1 
ATOM   1402 N NE  . ARG A 1 164 ? -25.437 -12.354 -34.237 1.00 15.12 ? 170 ARG B NE  1 
ATOM   1403 C CZ  . ARG A 1 164 ? -26.144 -11.728 -35.158 1.00 16.57 ? 170 ARG B CZ  1 
ATOM   1404 N NH1 . ARG A 1 164 ? -26.756 -12.422 -36.095 1.00 16.75 ? 170 ARG B NH1 1 
ATOM   1405 N NH2 . ARG A 1 164 ? -26.176 -10.414 -35.162 1.00 15.61 ? 170 ARG B NH2 1 
ATOM   1406 N N   . PRO A 1 165 ? -23.879 -12.509 -28.741 1.00 9.58  ? 171 PRO B N   1 
ATOM   1407 C CA  . PRO A 1 165 ? -24.434 -11.908 -27.518 1.00 9.41  ? 171 PRO B CA  1 
ATOM   1408 C C   . PRO A 1 165 ? -25.938 -11.721 -27.679 1.00 8.84  ? 171 PRO B C   1 
ATOM   1409 O O   . PRO A 1 165 ? -26.444 -11.378 -28.760 1.00 9.77  ? 171 PRO B O   1 
ATOM   1410 C CB  . PRO A 1 165 ? -23.737 -10.548 -27.429 1.00 9.84  ? 171 PRO B CB  1 
ATOM   1411 C CG  . PRO A 1 165 ? -22.448 -10.743 -28.256 1.00 10.99 ? 171 PRO B CG  1 
ATOM   1412 C CD  . PRO A 1 165 ? -22.883 -11.626 -29.387 1.00 11.52 ? 171 PRO B CD  1 
ATOM   1413 N N   . PHE A 1 166 ? -26.683 -12.013 -26.601 1.00 8.67  ? 172 PHE B N   1 
ATOM   1414 C CA  . PHE A 1 166 ? -28.160 -12.031 -26.572 1.00 8.97  ? 172 PHE B CA  1 
ATOM   1415 C C   . PHE A 1 166 ? -28.688 -11.098 -25.469 1.00 8.53  ? 172 PHE B C   1 
ATOM   1416 O O   . PHE A 1 166 ? -28.179 -11.101 -24.347 1.00 8.89  ? 172 PHE B O   1 
ATOM   1417 C CB  . PHE A 1 166 ? -28.634 -13.462 -26.312 1.00 9.51  ? 172 PHE B CB  1 
ATOM   1418 C CG  . PHE A 1 166 ? -30.133 -13.546 -26.122 1.00 9.73  ? 172 PHE B CG  1 
ATOM   1419 C CD1 . PHE A 1 166 ? -30.984 -13.519 -27.231 1.00 10.40 ? 172 PHE B CD1 1 
ATOM   1420 C CD2 . PHE A 1 166 ? -30.723 -13.586 -24.867 1.00 10.59 ? 172 PHE B CD2 1 
ATOM   1421 C CE1 . PHE A 1 166 ? -32.358 -13.592 -27.061 1.00 10.65 ? 172 PHE B CE1 1 
ATOM   1422 C CE2 . PHE A 1 166 ? -32.092 -13.627 -24.709 1.00 9.87  ? 172 PHE B CE2 1 
ATOM   1423 C CZ  . PHE A 1 166 ? -32.918 -13.653 -25.806 1.00 10.36 ? 172 PHE B CZ  1 
ATOM   1424 N N   . PHE A 1 167 ? -29.742 -10.326 -25.819 1.00 8.64  ? 173 PHE B N   1 
ATOM   1425 C CA  . PHE A 1 167 ? -30.342 -9.331  -24.910 1.00 8.89  ? 173 PHE B CA  1 
ATOM   1426 C C   . PHE A 1 167 ? -31.863 -9.418  -25.021 1.00 9.24  ? 173 PHE B C   1 
ATOM   1427 O O   . PHE A 1 167 ? -32.379 -9.445  -26.163 1.00 9.82  ? 173 PHE B O   1 
ATOM   1428 C CB  . PHE A 1 167 ? -29.897 -7.910  -25.292 1.00 9.55  ? 173 PHE B CB  1 
ATOM   1429 C CG  . PHE A 1 167 ? -28.388 -7.753  -25.412 1.00 9.52  ? 173 PHE B CG  1 
ATOM   1430 C CD1 . PHE A 1 167 ? -27.730 -8.078  -26.603 1.00 9.56  ? 173 PHE B CD1 1 
ATOM   1431 C CD2 . PHE A 1 167 ? -27.608 -7.314  -24.345 1.00 11.01 ? 173 PHE B CD2 1 
ATOM   1432 C CE1 . PHE A 1 167 ? -26.345 -8.020  -26.721 1.00 9.96  ? 173 PHE B CE1 1 
ATOM   1433 C CE2 . PHE A 1 167 ? -26.233 -7.189  -24.489 1.00 10.97 ? 173 PHE B CE2 1 
ATOM   1434 C CZ  . PHE A 1 167 ? -25.594 -7.547  -25.670 1.00 10.90 ? 173 PHE B CZ  1 
ATOM   1435 N N   . ASN A 1 168 ? -32.544 -9.202  -23.903 1.00 9.55  ? 174 ASN B N   1 
ATOM   1436 C CA  . ASN A 1 168 ? -34.008 -8.951  -23.860 1.00 9.01  ? 174 ASN B CA  1 
ATOM   1437 C C   . ASN A 1 168 ? -34.227 -7.811  -22.862 1.00 9.35  ? 174 ASN B C   1 
ATOM   1438 O O   . ASN A 1 168 ? -33.889 -7.980  -21.673 1.00 10.12 ? 174 ASN B O   1 
ATOM   1439 C CB  . ASN A 1 168 ? -34.789 -10.192 -23.454 1.00 9.29  ? 174 ASN B CB  1 
ATOM   1440 C CG  . ASN A 1 168 ? -36.285 -9.994  -23.554 1.00 11.05 ? 174 ASN B CG  1 
ATOM   1441 O OD1 . ASN A 1 168 ? -36.783 -8.924  -23.841 1.00 11.73 ? 174 ASN B OD1 1 
ATOM   1442 N ND2 . ASN A 1 168 ? -37.015 -11.066 -23.352 1.00 12.18 ? 174 ASN B ND2 1 
ATOM   1443 N N   . VAL A 1 169 ? -34.731 -6.659  -23.342 1.00 9.55  ? 175 VAL B N   1 
ATOM   1444 C CA  . VAL A 1 169 ? -34.996 -5.512  -22.441 1.00 9.91  ? 175 VAL B CA  1 
ATOM   1445 C C   . VAL A 1 169 ? -36.254 -5.742  -21.594 1.00 9.81  ? 175 VAL B C   1 
ATOM   1446 O O   . VAL A 1 169 ? -36.510 -4.933  -20.673 1.00 11.05 ? 175 VAL B O   1 
ATOM   1447 C CB  . VAL A 1 169 ? -35.081 -4.166  -23.189 1.00 10.60 ? 175 VAL B CB  1 
ATOM   1448 C CG1 . VAL A 1 169 ? -33.779 -3.828  -23.880 1.00 11.63 ? 175 VAL B CG1 1 
ATOM   1449 C CG2 . VAL A 1 169 ? -36.229 -4.116  -24.185 1.00 11.48 ? 175 VAL B CG2 1 
ATOM   1450 N N   . GLY A 1 170 ? -37.074 -6.736  -21.962 1.00 10.15 ? 176 GLY B N   1 
ATOM   1451 C CA  . GLY A 1 170 ? -38.352 -7.015  -21.280 1.00 10.97 ? 176 GLY B CA  1 
ATOM   1452 C C   . GLY A 1 170 ? -39.443 -6.055  -21.686 1.00 10.85 ? 176 GLY B C   1 
ATOM   1453 O O   . GLY A 1 170 ? -39.213 -5.000  -22.290 1.00 10.81 ? 176 GLY B O   1 
ATOM   1454 N N   . PHE A 1 171 ? -40.668 -6.525  -21.458 1.00 11.63 ? 177 PHE B N   1 
ATOM   1455 C CA  . PHE A 1 171 ? -41.873 -5.686  -21.622 1.00 11.25 ? 177 PHE B CA  1 
ATOM   1456 C C   . PHE A 1 171 ? -41.907 -4.610  -20.560 1.00 10.73 ? 177 PHE B C   1 
ATOM   1457 O O   . PHE A 1 171 ? -41.213 -4.651  -19.564 1.00 10.83 ? 177 PHE B O   1 
ATOM   1458 C CB  . PHE A 1 171 ? -43.144 -6.536  -21.652 1.00 12.26 ? 177 PHE B CB  1 
ATOM   1459 C CG  . PHE A 1 171 ? -43.271 -7.402  -22.876 1.00 13.40 ? 177 PHE B CG  1 
ATOM   1460 C CD1 . PHE A 1 171 ? -43.707 -6.901  -24.100 1.00 15.09 ? 177 PHE B CD1 1 
ATOM   1461 C CD2 . PHE A 1 171 ? -42.989 -8.756  -22.788 1.00 14.92 ? 177 PHE B CD2 1 
ATOM   1462 C CE1 . PHE A 1 171 ? -43.770 -7.735  -25.222 1.00 16.50 ? 177 PHE B CE1 1 
ATOM   1463 C CE2 . PHE A 1 171 ? -43.096 -9.574  -23.904 1.00 15.99 ? 177 PHE B CE2 1 
ATOM   1464 C CZ  . PHE A 1 171 ? -43.531 -9.067  -25.081 1.00 15.78 ? 177 PHE B CZ  1 
ATOM   1465 N N   . ASN A 1 172 ? -42.770 -3.639  -20.797 1.00 11.43 ? 178 ASN B N   1 
ATOM   1466 C CA  . ASN A 1 172 ? -42.977 -2.544  -19.827 1.00 10.29 ? 178 ASN B CA  1 
ATOM   1467 C C   . ASN A 1 172 ? -44.499 -2.374  -19.618 1.00 11.24 ? 178 ASN B C   1 
ATOM   1468 O O   . ASN A 1 172 ? -45.027 -1.240  -19.666 1.00 12.60 ? 178 ASN B O   1 
ATOM   1469 C CB  . ASN A 1 172 ? -42.303 -1.260  -20.274 1.00 11.02 ? 178 ASN B CB  1 
ATOM   1470 C CG  . ASN A 1 172 ? -42.382 -0.166  -19.233 1.00 11.72 ? 178 ASN B CG  1 
ATOM   1471 O OD1 . ASN A 1 172 ? -42.435 -0.413  -18.036 1.00 11.52 ? 178 ASN B OD1 1 
ATOM   1472 N ND2 . ASN A 1 172 ? -42.325 1.065   -19.712 1.00 13.53 ? 178 ASN B ND2 1 
ATOM   1473 N N   . TYR A 1 173 ? -45.172 -3.438  -19.243 1.00 11.73 ? 179 TYR B N   1 
ATOM   1474 C CA  . TYR A 1 173 ? -46.604 -3.393  -18.846 1.00 10.75 ? 179 TYR B CA  1 
ATOM   1475 C C   . TYR A 1 173 ? -46.754 -2.568  -17.575 1.00 11.80 ? 179 TYR B C   1 
ATOM   1476 O O   . TYR A 1 173 ? -47.845 -1.953  -17.364 1.00 13.13 ? 179 TYR B O   1 
ATOM   1477 C CB  . TYR A 1 173 ? -47.178 -4.801  -18.651 1.00 11.62 ? 179 TYR B CB  1 
ATOM   1478 C CG  . TYR A 1 173 ? -47.265 -5.653  -19.880 1.00 13.88 ? 179 TYR B CG  1 
ATOM   1479 C CD1 . TYR A 1 173 ? -48.238 -5.407  -20.837 1.00 18.00 ? 179 TYR B CD1 1 
ATOM   1480 C CD2 . TYR A 1 173 ? -46.406 -6.716  -20.058 1.00 16.05 ? 179 TYR B CD2 1 
ATOM   1481 C CE1 . TYR A 1 173 ? -48.308 -6.150  -22.008 1.00 19.06 ? 179 TYR B CE1 1 
ATOM   1482 C CE2 . TYR A 1 173 ? -46.470 -7.464  -21.242 1.00 15.48 ? 179 TYR B CE2 1 
ATOM   1483 C CZ  . TYR A 1 173 ? -47.409 -7.167  -22.194 1.00 18.27 ? 179 TYR B CZ  1 
ATOM   1484 O OH  . TYR A 1 173 ? -47.509 -7.961  -23.325 1.00 24.47 ? 179 TYR B OH  1 
ATOM   1485 N N   . SER A 1 174 ? -45.811 -2.587  -16.647 1.00 11.22 ? 180 SER B N   1 
ATOM   1486 C CA  . SER A 1 174 ? -45.912 -1.985  -15.300 1.00 12.33 ? 180 SER B CA  1 
ATOM   1487 C C   . SER A 1 174 ? -45.638 -0.488  -15.336 1.00 12.18 ? 180 SER B C   1 
ATOM   1488 O O   . SER A 1 174 ? -45.959 0.182   -14.332 1.00 13.79 ? 180 SER B O   1 
ATOM   1489 C CB  . SER A 1 174 ? -44.942 -2.610  -14.328 1.00 12.53 ? 180 SER B CB  1 
ATOM   1490 O OG  . SER A 1 174 ? -43.598 -2.337  -14.785 1.00 12.38 ? 180 SER B OG  1 
ATOM   1491 N N   . GLY A 1 175 ? -44.987 0.026   -16.375 1.00 11.32 ? 181 GLY B N   1 
ATOM   1492 C CA  . GLY A 1 175 ? -44.454 1.398   -16.319 1.00 11.70 ? 181 GLY B CA  1 
ATOM   1493 C C   . GLY A 1 175 ? -43.218 1.548   -15.468 1.00 12.65 ? 181 GLY B C   1 
ATOM   1494 O O   . GLY A 1 175 ? -42.714 2.675   -15.401 1.00 14.71 ? 181 GLY B O   1 
ATOM   1495 N N   . GLY A 1 176 ? -42.671 0.460   -14.913 1.00 11.51 ? 182 GLY B N   1 
ATOM   1496 C CA  . GLY A 1 176 ? -41.442 0.504   -14.118 1.00 11.36 ? 182 GLY B CA  1 
ATOM   1497 C C   . GLY A 1 176 ? -40.233 -0.135  -14.809 1.00 12.94 ? 182 GLY B C   1 
ATOM   1498 O O   . GLY A 1 176 ? -39.174 -0.209  -14.132 1.00 13.61 ? 182 GLY B O   1 
ATOM   1499 N N   . ASN A 1 177 ? -40.354 -0.559  -16.050 1.00 10.67 ? 183 ASN B N   1 
ATOM   1500 C CA  . ASN A 1 177 ? -39.262 -1.271  -16.748 1.00 10.06 ? 183 ASN B CA  1 
ATOM   1501 C C   . ASN A 1 177 ? -38.823 -0.560  -18.029 1.00 10.21 ? 183 ASN B C   1 
ATOM   1502 O O   . ASN A 1 177 ? -38.289 -1.220  -18.921 1.00 11.45 ? 183 ASN B O   1 
ATOM   1503 C CB  . ASN A 1 177 ? -39.646 -2.715  -17.053 1.00 10.34 ? 183 ASN B CB  1 
ATOM   1504 C CG  . ASN A 1 177 ? -38.434 -3.576  -17.365 1.00 9.97  ? 183 ASN B CG  1 
ATOM   1505 O OD1 . ASN A 1 177 ? -37.403 -3.375  -16.741 1.00 10.92 ? 183 ASN B OD1 1 
ATOM   1506 N ND2 . ASN A 1 177 ? -38.599 -4.499  -18.303 1.00 10.62 ? 183 ASN B ND2 1 
ATOM   1507 N N   . ALA A 1 178 ? -38.922 0.761   -18.123 1.00 11.15 ? 184 ALA B N   1 
ATOM   1508 C CA  . ALA A 1 178 ? -38.540 1.486   -19.347 1.00 11.80 ? 184 ALA B CA  1 
ATOM   1509 C C   . ALA A 1 178 ? -37.030 1.641   -19.503 1.00 11.64 ? 184 ALA B C   1 
ATOM   1510 O O   . ALA A 1 178 ? -36.589 1.926   -20.637 1.00 13.61 ? 184 ALA B O   1 
ATOM   1511 C CB  . ALA A 1 178 ? -39.169 2.899   -19.347 1.00 12.51 ? 184 ALA B CB  1 
ATOM   1512 N N   . ALA A 1 179 ? -36.275 1.478   -18.430 1.00 11.35 ? 185 ALA B N   1 
ATOM   1513 C CA  . ALA A 1 179 ? -34.820 1.783   -18.495 1.00 11.45 ? 185 ALA B CA  1 
ATOM   1514 C C   . ALA A 1 179 ? -34.116 0.900   -19.533 1.00 11.60 ? 185 ALA B C   1 
ATOM   1515 O O   . ALA A 1 179 ? -34.490 -0.255  -19.799 1.00 11.28 ? 185 ALA B O   1 
ATOM   1516 C CB  . ALA A 1 179 ? -34.193 1.618   -17.129 1.00 11.89 ? 185 ALA B CB  1 
ATOM   1517 N N   . PRO A 1 180 ? -33.022 1.409   -20.122 1.00 10.88 ? 186 PRO B N   1 
ATOM   1518 C CA  . PRO A 1 180 ? -32.257 0.640   -21.104 1.00 11.12 ? 186 PRO B CA  1 
ATOM   1519 C C   . PRO A 1 180 ? -31.349 -0.467  -20.519 1.00 10.42 ? 186 PRO B C   1 
ATOM   1520 O O   . PRO A 1 180 ? -31.017 -0.417  -19.370 1.00 11.77 ? 186 PRO B O   1 
ATOM   1521 C CB  . PRO A 1 180 ? -31.377 1.722   -21.764 1.00 12.48 ? 186 PRO B CB  1 
ATOM   1522 C CG  . PRO A 1 180 ? -31.138 2.711   -20.656 1.00 14.39 ? 186 PRO B CG  1 
ATOM   1523 C CD  . PRO A 1 180 ? -32.478 2.777   -19.933 1.00 13.52 ? 186 PRO B CD  1 
ATOM   1524 N N   . LEU A 1 181 ? -30.956 -1.386  -21.383 1.00 11.04 ? 187 LEU B N   1 
ATOM   1525 C CA  . LEU A 1 181 ? -29.706 -2.182  -21.227 1.00 11.13 ? 187 LEU B CA  1 
ATOM   1526 C C   . LEU A 1 181 ? -28.589 -1.369  -21.874 1.00 11.05 ? 187 LEU B C   1 
ATOM   1527 O O   . LEU A 1 181 ? -28.764 -0.843  -22.989 1.00 13.05 ? 187 LEU B O   1 
ATOM   1528 C CB  . LEU A 1 181 ? -29.881 -3.540  -21.880 1.00 10.76 ? 187 LEU B CB  1 
ATOM   1529 C CG  . LEU A 1 181 ? -30.895 -4.496  -21.239 1.00 11.90 ? 187 LEU B CG  1 
ATOM   1530 C CD1 . LEU A 1 181 ? -31.053 -5.765  -22.063 1.00 12.68 ? 187 LEU B CD1 1 
ATOM   1531 C CD2 . LEU A 1 181 ? -30.524 -4.879  -19.813 1.00 13.75 ? 187 LEU B CD2 1 
ATOM   1532 N N   . LYS A 1 182 ? -27.441 -1.313  -21.209 1.00 11.50 ? 188 LYS B N   1 
ATOM   1533 C CA  . LYS A 1 182 ? -26.289 -0.557  -21.737 1.00 11.92 ? 188 LYS B CA  1 
ATOM   1534 C C   . LYS A 1 182 ? -25.067 -1.454  -21.698 1.00 12.06 ? 188 LYS B C   1 
ATOM   1535 O O   . LYS A 1 182 ? -24.713 -1.957  -20.602 1.00 13.25 ? 188 LYS B O   1 
ATOM   1536 C CB  . LYS A 1 182 ? -26.008 0.718   -20.932 1.00 14.21 ? 188 LYS B CB  1 
ATOM   1537 C CG  . LYS A 1 182 ? -27.157 1.688   -20.749 1.00 17.40 ? 188 LYS B CG  1 
ATOM   1538 C CD  . LYS A 1 182 ? -26.741 3.000   -20.083 1.00 21.64 ? 188 LYS B CD  1 
ATOM   1539 C CE  . LYS A 1 182 ? -27.904 3.904   -19.757 1.00 25.88 ? 188 LYS B CE  1 
ATOM   1540 N NZ  . LYS A 1 182 ? -27.422 5.111   -19.043 1.00 31.72 ? 188 LYS B NZ  1 
ATOM   1541 N N   . LEU A 1 183 ? -24.318 -1.498  -22.782 1.00 12.66 ? 189 LEU B N   1 
ATOM   1542 C CA  . LEU A 1 183 ? -22.980 -2.165  -22.790 1.00 12.92 ? 189 LEU B CA  1 
ATOM   1543 C C   . LEU A 1 183 ? -21.994 -1.212  -22.128 1.00 14.00 ? 189 LEU B C   1 
ATOM   1544 O O   . LEU A 1 183 ? -21.836 -0.069  -22.628 1.00 18.06 ? 189 LEU B O   1 
ATOM   1545 C CB  . LEU A 1 183 ? -22.613 -2.548  -24.222 1.00 13.28 ? 189 LEU B CB  1 
ATOM   1546 C CG  . LEU A 1 183 ? -23.370 -3.784  -24.714 1.00 14.48 ? 189 LEU B CG  1 
ATOM   1547 C CD1 . LEU A 1 183 ? -23.562 -3.836  -26.218 1.00 17.91 ? 189 LEU B CD1 1 
ATOM   1548 C CD2 . LEU A 1 183 ? -22.730 -5.070  -24.171 1.00 12.98 ? 189 LEU B CD2 1 
ATOM   1549 N N   . CYS A 1 184 ? -21.327 -1.676  -21.072 1.00 15.11 ? 190 CYS B N   1 
ATOM   1550 C CA  . CYS A 1 184 ? -20.420 -0.842  -20.239 1.00 17.90 ? 190 CYS B CA  1 
ATOM   1551 C C   . CYS A 1 184 ? -19.067 -0.775  -20.895 1.00 19.32 ? 190 CYS B C   1 
ATOM   1552 O O   . CYS A 1 184 ? -18.596 -1.730  -21.464 1.00 20.32 ? 190 CYS B O   1 
ATOM   1553 C CB  . CYS A 1 184 ? -20.102 -1.507  -18.918 1.00 21.05 ? 190 CYS B CB  1 
ATOM   1554 S SG  . CYS A 1 184 ? -21.527 -2.046  -18.000 1.00 21.55 ? 190 CYS B SG  1 
ATOM   1555 N N   . PRO A 1 185 ? -18.353 0.358   -20.735 1.00 23.72 ? 191 PRO B N   1 
ATOM   1556 C CA  . PRO A 1 185 ? -17.042 0.518   -21.326 1.00 29.85 ? 191 PRO B CA  1 
ATOM   1557 C C   . PRO A 1 185 ? -16.051 -0.389  -20.593 1.00 29.32 ? 191 PRO B C   1 
ATOM   1558 O O   . PRO A 1 185 ? -16.233 -0.642  -19.388 1.00 29.79 ? 191 PRO B O   1 
ATOM   1559 C CB  . PRO A 1 185 ? -16.810 2.032   -21.162 1.00 29.76 ? 191 PRO B CB  1 
ATOM   1560 C CG  . PRO A 1 185 ? -17.576 2.391   -19.923 1.00 30.13 ? 191 PRO B CG  1 
ATOM   1561 C CD  . PRO A 1 185 ? -18.831 1.554   -20.014 1.00 27.93 ? 191 PRO B CD  1 
ATOM   1562 N N   . LEU A 1 186 ? -15.087 -0.867  -21.387 1.00 35.82 ? 192 LEU B N   1 
ATOM   1563 C CA  . LEU A 1 186 ? -13.790 -1.518  -21.048 1.00 39.36 ? 192 LEU B CA  1 
ATOM   1564 C C   . LEU A 1 186 ? -12.959 -0.611  -20.135 1.00 45.00 ? 192 LEU B C   1 
ATOM   1565 O O   . LEU A 1 186 ? -12.324 -1.095  -19.184 1.00 53.49 ? 192 LEU B O   1 
ATOM   1566 C CB  . LEU A 1 186 ? -13.044 -1.763  -22.367 1.00 37.92 ? 192 LEU B CB  1 
HETATM 1567 C C1  . EDO B 2 .   ? -45.517 -3.444  -22.936 1.00 27.57 ? 201 EDO B C1  1 
HETATM 1568 O O1  . EDO B 2 .   ? -44.164 -3.095  -23.155 1.00 20.28 ? 201 EDO B O1  1 
HETATM 1569 C C2  . EDO B 2 .   ? -46.273 -4.013  -24.083 1.00 36.27 ? 201 EDO B C2  1 
HETATM 1570 O O2  . EDO B 2 .   ? -46.129 -3.246  -25.255 1.00 39.93 ? 201 EDO B O2  1 
HETATM 1571 N N1  . NUA C 3 .   ? -28.280 -28.990 -26.558 0.53 28.04 ? 202 NUA B N1  1 
HETATM 1572 N N3  . NUA C 3 .   ? -29.130 -29.824 -25.917 0.53 28.57 ? 202 NUA B N3  1 
HETATM 1573 C C4  . NUA C 3 .   ? -27.716 -28.903 -24.450 0.53 25.35 ? 202 NUA B C4  1 
HETATM 1574 C C5  . NUA C 3 .   ? -26.211 -27.668 -22.895 0.53 23.08 ? 202 NUA B C5  1 
HETATM 1575 C C6  . NUA C 3 .   ? -25.725 -27.672 -21.469 0.53 22.16 ? 202 NUA B C6  1 
HETATM 1576 C C7  . NUA C 3 .   ? -26.718 -28.061 -20.353 0.53 22.20 ? 202 NUA B C7  1 
HETATM 1577 C C8  . NUA C 3 .   ? -26.185 -26.867 -19.551 0.53 20.98 ? 202 NUA B C8  1 
HETATM 1578 C C10 . NUA C 3 .   ? -28.803 -29.758 -24.637 0.53 28.76 ? 202 NUA B C10 1 
HETATM 1579 C C1  . NUA C 3 .   ? -29.522 -28.062 -28.490 0.53 28.44 ? 202 NUA B C1  1 
HETATM 1580 C C2  . NUA C 3 .   ? -28.347 -28.859 -28.012 0.53 27.12 ? 202 NUA B C2  1 
HETATM 1581 C C3  . NUA C 3 .   ? -27.404 -28.429 -25.689 0.53 27.45 ? 202 NUA B C3  1 
HETATM 1582 C C9  . NUA C 3 .   ? -25.633 -26.269 -20.846 0.53 20.31 ? 202 NUA B C9  1 
HETATM 1583 N N2  . NUA C 3 .   ? -27.120 -28.636 -23.202 0.53 24.40 ? 202 NUA B N2  1 
HETATM 1584 O O1  . NUA C 3 .   ? -25.799 -26.808 -23.713 0.53 23.64 ? 202 NUA B O1  1 
HETATM 1585 N N1  . EPE D 4 .   ? -38.152 -15.557 -19.923 1.00 42.27 ? 203 EPE B N1  1 
HETATM 1586 C C2  . EPE D 4 .   ? -38.862 -14.590 -20.761 1.00 40.25 ? 203 EPE B C2  1 
HETATM 1587 C C3  . EPE D 4 .   ? -38.320 -13.200 -20.512 1.00 36.57 ? 203 EPE B C3  1 
HETATM 1588 N N4  . EPE D 4 .   ? -38.316 -12.840 -19.080 1.00 34.34 ? 203 EPE B N4  1 
HETATM 1589 C C5  . EPE D 4 .   ? -37.867 -13.920 -18.167 1.00 32.04 ? 203 EPE B C5  1 
HETATM 1590 C C6  . EPE D 4 .   ? -38.459 -15.262 -18.527 1.00 35.89 ? 203 EPE B C6  1 
HETATM 1591 C C7  . EPE D 4 .   ? -37.745 -11.527 -18.779 1.00 29.61 ? 203 EPE B C7  1 
HETATM 1592 C C8  . EPE D 4 .   ? -37.730 -10.520 -19.930 1.00 28.55 ? 203 EPE B C8  1 
HETATM 1593 O O8  . EPE D 4 .   ? -38.981 -10.369 -20.590 1.00 26.26 ? 203 EPE B O8  1 
HETATM 1594 C C9  . EPE D 4 .   ? -38.299 -16.974 -20.331 1.00 43.77 ? 203 EPE B C9  1 
HETATM 1595 C C10 . EPE D 4 .   ? -39.611 -17.707 -20.058 1.00 43.47 ? 203 EPE B C10 1 
HETATM 1596 S S   . EPE D 4 .   ? -39.447 -19.355 -20.716 1.00 43.16 ? 203 EPE B S   1 
HETATM 1597 O O1S . EPE D 4 .   ? -38.107 -19.368 -21.244 1.00 34.73 ? 203 EPE B O1S 1 
HETATM 1598 O O2S . EPE D 4 .   ? -40.552 -19.546 -21.618 1.00 40.55 ? 203 EPE B O2S 1 
HETATM 1599 O O3S . EPE D 4 .   ? -39.610 -20.238 -19.444 1.00 39.67 ? 203 EPE B O3S 1 
HETATM 1600 C C1  . EDO E 2 .   ? -50.460 -17.003 -33.197 1.00 37.79 ? 204 EDO B C1  1 
HETATM 1601 O O1  . EDO E 2 .   ? -49.129 -16.536 -33.093 1.00 32.79 ? 204 EDO B O1  1 
HETATM 1602 C C2  . EDO E 2 .   ? -51.077 -17.212 -31.883 1.00 39.47 ? 204 EDO B C2  1 
HETATM 1603 O O2  . EDO E 2 .   ? -51.041 -16.031 -31.130 1.00 47.43 ? 204 EDO B O2  1 
HETATM 1604 S S   . SO4 F 5 .   ? -40.390 -24.582 -26.356 1.00 37.50 ? 205 SO4 B S   1 
HETATM 1605 O O1  . SO4 F 5 .   ? -39.727 -23.573 -27.118 1.00 24.86 ? 205 SO4 B O1  1 
HETATM 1606 O O2  . SO4 F 5 .   ? -41.304 -25.304 -27.202 1.00 44.40 ? 205 SO4 B O2  1 
HETATM 1607 O O3  . SO4 F 5 .   ? -39.394 -25.492 -25.831 1.00 44.23 ? 205 SO4 B O3  1 
HETATM 1608 O O4  . SO4 F 5 .   ? -41.120 -23.999 -25.249 1.00 38.34 ? 205 SO4 B O4  1 
HETATM 1609 O O   . HOH G 6 .   ? -33.782 4.845   -16.820 1.00 35.91 ? 301 HOH B O   1 
HETATM 1610 O O   . HOH G 6 .   ? -41.009 -8.116  -3.738  1.00 53.57 ? 302 HOH B O   1 
HETATM 1611 O O   . HOH G 6 .   ? -47.022 -16.717 -31.971 1.00 21.63 ? 303 HOH B O   1 
HETATM 1612 O O   . HOH G 6 .   ? -38.534 -15.293 -11.609 1.00 32.13 ? 304 HOH B O   1 
HETATM 1613 O O   . HOH G 6 .   ? -22.611 -1.833  -9.762  1.00 27.51 ? 305 HOH B O   1 
HETATM 1614 O O   . HOH G 6 .   ? -45.064 7.443   -24.564 1.00 36.93 ? 306 HOH B O   1 
HETATM 1615 O O   . HOH G 6 .   ? -45.612 3.687   -34.153 1.00 17.83 ? 307 HOH B O   1 
HETATM 1616 O O   . HOH G 6 .   ? -38.457 0.689   -11.929 1.00 34.73 ? 308 HOH B O   1 
HETATM 1617 O O   . HOH G 6 .   ? -18.650 -21.891 -35.776 1.00 16.09 ? 309 HOH B O   1 
HETATM 1618 O O   . HOH G 6 .   ? -29.523 -12.423 -37.819 1.00 22.20 ? 310 HOH B O   1 
HETATM 1619 O O   . HOH G 6 .   ? -36.252 5.495   -15.799 1.00 22.71 ? 311 HOH B O   1 
HETATM 1620 O O   . HOH G 6 .   ? -13.424 -23.512 -31.660 1.00 15.00 ? 312 HOH B O   1 
HETATM 1621 O O   . HOH G 6 .   ? -40.052 -1.049  -9.773  1.00 26.59 ? 313 HOH B O   1 
HETATM 1622 O O   . HOH G 6 .   ? -38.005 2.831   -22.728 1.00 18.22 ? 314 HOH B O   1 
HETATM 1623 O O   . HOH G 6 .   ? -32.899 1.213   -33.473 1.00 21.30 ? 315 HOH B O   1 
HETATM 1624 O O   . HOH G 6 .   ? -47.121 1.436   -25.618 1.00 34.44 ? 316 HOH B O   1 
HETATM 1625 O O   . HOH G 6 .   ? -15.544 -5.349  -13.678 1.00 29.82 ? 317 HOH B O   1 
HETATM 1626 O O   . HOH G 6 .   ? -36.829 -16.220 -39.383 1.00 26.57 ? 318 HOH B O   1 
HETATM 1627 O O   . HOH G 6 .   ? -45.434 0.104   -11.751 1.00 18.83 ? 319 HOH B O   1 
HETATM 1628 O O   . HOH G 6 .   ? -35.831 -22.451 -19.520 1.00 24.34 ? 320 HOH B O   1 
HETATM 1629 O O   . HOH G 6 .   ? -37.311 -25.481 -11.599 1.00 35.98 ? 321 HOH B O   1 
HETATM 1630 O O   . HOH G 6 .   ? -26.065 3.522   -35.308 1.00 30.04 ? 322 HOH B O   1 
HETATM 1631 O O   . HOH G 6 .   ? -39.933 -11.455 -22.810 1.00 31.29 ? 323 HOH B O   1 
HETATM 1632 O O   . HOH G 6 .   ? -23.178 4.385   -24.708 1.00 23.80 ? 324 HOH B O   1 
HETATM 1633 O O   . HOH G 6 .   ? -32.840 -18.164 -37.203 1.00 31.94 ? 325 HOH B O   1 
HETATM 1634 O O   . HOH G 6 .   ? -30.679 -6.679  -11.301 1.00 14.20 ? 326 HOH B O   1 
HETATM 1635 O O   . HOH G 6 .   ? -35.647 -19.159 -30.541 1.00 28.65 ? 327 HOH B O   1 
HETATM 1636 O O   . HOH G 6 .   ? -11.006 -21.169 -25.194 1.00 30.45 ? 328 HOH B O   1 
HETATM 1637 O O   . HOH G 6 .   ? -19.446 -29.774 -15.586 1.00 27.30 ? 329 HOH B O   1 
HETATM 1638 O O   . HOH G 6 .   ? -36.663 -26.058 -23.835 1.00 34.01 ? 330 HOH B O   1 
HETATM 1639 O O   . HOH G 6 .   ? -12.674 -21.307 -18.691 1.00 27.55 ? 331 HOH B O   1 
HETATM 1640 O O   . HOH G 6 .   ? -24.495 -31.089 -22.033 1.00 34.08 ? 332 HOH B O   1 
HETATM 1641 O O   . HOH G 6 .   ? -17.545 -21.351 -12.463 1.00 18.35 ? 333 HOH B O   1 
HETATM 1642 O O   . HOH G 6 .   ? -16.126 -19.591 -15.725 1.00 23.00 ? 334 HOH B O   1 
HETATM 1643 O O   . HOH G 6 .   ? -49.624 -1.737  -19.387 1.00 24.07 ? 335 HOH B O   1 
HETATM 1644 O O   . HOH G 6 .   ? -25.903 -22.607 -35.867 1.00 28.31 ? 336 HOH B O   1 
HETATM 1645 O O   . HOH G 6 .   ? -42.851 -15.325 -10.075 1.00 24.48 ? 337 HOH B O   1 
HETATM 1646 O O   . HOH G 6 .   ? -36.559 -23.005 -30.764 1.00 31.55 ? 338 HOH B O   1 
HETATM 1647 O O   . HOH G 6 .   ? -16.609 -5.617  -9.338  1.00 31.32 ? 339 HOH B O   1 
HETATM 1648 O O   . HOH G 6 .   ? -38.433 -7.574  -10.736 1.00 14.74 ? 340 HOH B O   1 
HETATM 1649 O O   . HOH G 6 .   ? -30.231 -23.829 -34.181 1.00 23.91 ? 341 HOH B O   1 
HETATM 1650 O O   . HOH G 6 .   ? -17.786 -19.789 -37.510 1.00 21.81 ? 342 HOH B O   1 
HETATM 1651 O O   . HOH G 6 .   ? -26.524 -25.672 -16.363 1.00 16.38 ? 343 HOH B O   1 
HETATM 1652 O O   . HOH G 6 .   ? -30.789 -20.290 -21.363 1.00 11.51 ? 344 HOH B O   1 
HETATM 1653 O O   . HOH G 6 .   ? -8.937  -13.471 -25.344 1.00 31.94 ? 345 HOH B O   1 
HETATM 1654 O O   . HOH G 6 .   ? -30.616 1.220   -17.018 1.00 24.41 ? 346 HOH B O   1 
HETATM 1655 O O   . HOH G 6 .   ? -18.451 -4.596  -24.744 1.00 16.35 ? 347 HOH B O   1 
HETATM 1656 O O   . HOH G 6 .   ? -19.327 -4.298  -22.091 1.00 14.46 ? 348 HOH B O   1 
HETATM 1657 O O   . HOH G 6 .   ? -38.735 -2.435  -21.340 1.00 14.51 ? 349 HOH B O   1 
HETATM 1658 O O   . HOH G 6 .   ? -34.085 -21.926 -31.402 1.00 18.87 ? 350 HOH B O   1 
HETATM 1659 O O   . HOH G 6 .   ? -9.377  -18.508 -30.283 1.00 43.18 ? 351 HOH B O   1 
HETATM 1660 O O   . HOH G 6 .   ? -26.462 1.963   -10.967 1.00 26.87 ? 352 HOH B O   1 
HETATM 1661 O O   . HOH G 6 .   ? -23.791 1.106   -10.663 1.00 33.41 ? 353 HOH B O   1 
HETATM 1662 O O   . HOH G 6 .   ? -45.084 -12.258 -26.452 1.00 29.36 ? 354 HOH B O   1 
HETATM 1663 O O   . HOH G 6 .   ? -13.431 -20.957 -35.164 1.00 29.14 ? 355 HOH B O   1 
HETATM 1664 O O   . HOH G 6 .   ? -28.359 -21.593 -8.910  1.00 18.07 ? 356 HOH B O   1 
HETATM 1665 O O   . HOH G 6 .   ? -40.227 -14.288 -31.398 1.00 13.38 ? 357 HOH B O   1 
HETATM 1666 O O   . HOH G 6 .   ? -20.956 -6.019  -2.167  1.00 47.37 ? 358 HOH B O   1 
HETATM 1667 O O   . HOH G 6 .   ? -40.597 -14.439 -8.423  1.00 31.58 ? 359 HOH B O   1 
HETATM 1668 O O   . HOH G 6 .   ? -19.755 1.868   -30.515 1.00 28.97 ? 360 HOH B O   1 
HETATM 1669 O O   . HOH G 6 .   ? -17.564 -27.664 -19.691 1.00 18.28 ? 361 HOH B O   1 
HETATM 1670 O O   . HOH G 6 .   ? -41.776 1.548   -22.522 1.00 30.29 ? 362 HOH B O   1 
HETATM 1671 O O   . HOH G 6 .   ? -40.933 -9.209  -36.661 1.00 24.47 ? 363 HOH B O   1 
HETATM 1672 O O   . HOH G 6 .   ? -44.890 -7.800  -38.986 1.00 15.27 ? 364 HOH B O   1 
HETATM 1673 O O   . HOH G 6 .   ? -45.665 -14.580 -27.611 1.00 33.75 ? 365 HOH B O   1 
HETATM 1674 O O   . HOH G 6 .   ? -26.282 -31.169 -24.010 1.00 33.33 ? 366 HOH B O   1 
HETATM 1675 O O   . HOH G 6 .   ? -38.366 3.832   -42.200 1.00 26.13 ? 367 HOH B O   1 
HETATM 1676 O O   . HOH G 6 .   ? -42.440 -5.738  -12.186 1.00 19.39 ? 368 HOH B O   1 
HETATM 1677 O O   . HOH G 6 .   ? -26.646 -17.643 -7.781  1.00 15.89 ? 369 HOH B O   1 
HETATM 1678 O O   . HOH G 6 .   ? -23.187 2.344   -23.052 1.00 26.84 ? 370 HOH B O   1 
HETATM 1679 O O   . HOH G 6 .   ? -20.889 -16.381 -5.518  1.00 21.59 ? 371 HOH B O   1 
HETATM 1680 O O   . HOH G 6 .   ? -10.305 -23.577 -21.865 1.00 29.51 ? 372 HOH B O   1 
HETATM 1681 O O   . HOH G 6 .   ? -42.143 -3.861  -39.434 1.00 21.06 ? 373 HOH B O   1 
HETATM 1682 O O   . HOH G 6 .   ? -36.177 -1.748  -33.838 1.00 19.85 ? 374 HOH B O   1 
HETATM 1683 O O   . HOH G 6 .   ? -32.185 -4.953  -12.910 1.00 13.52 ? 375 HOH B O   1 
HETATM 1684 O O   . HOH G 6 .   ? -36.451 -0.928  -22.066 1.00 12.70 ? 376 HOH B O   1 
HETATM 1685 O O   . HOH G 6 .   ? -9.332  -20.755 -28.896 1.00 32.19 ? 377 HOH B O   1 
HETATM 1686 O O   . HOH G 6 .   ? -33.340 -1.844  -38.484 1.00 25.68 ? 378 HOH B O   1 
HETATM 1687 O O   . HOH G 6 .   ? -19.099 -29.118 -23.511 1.00 24.04 ? 379 HOH B O   1 
HETATM 1688 O O   . HOH G 6 .   ? -36.938 0.844   -15.539 1.00 14.78 ? 380 HOH B O   1 
HETATM 1689 O O   . HOH G 6 .   ? -43.670 -0.519  -24.259 1.00 27.26 ? 381 HOH B O   1 
HETATM 1690 O O   . HOH G 6 .   ? -27.073 -20.240 -6.991  1.00 16.93 ? 382 HOH B O   1 
HETATM 1691 O O   . HOH G 6 .   ? -12.614 -18.504 -34.821 1.00 36.17 ? 383 HOH B O   1 
HETATM 1692 O O   . HOH G 6 .   ? -41.005 -8.767  -19.373 1.00 13.34 ? 384 HOH B O   1 
HETATM 1693 O O   . HOH G 6 .   ? -35.453 -4.547  -42.161 1.00 21.20 ? 385 HOH B O   1 
HETATM 1694 O O   . HOH G 6 .   ? -15.013 -19.686 -37.566 1.00 21.97 ? 386 HOH B O   1 
HETATM 1695 O O   . HOH G 6 .   ? -25.663 -14.215 -3.043  1.00 31.61 ? 387 HOH B O   1 
HETATM 1696 O O   . HOH G 6 .   ? -35.516 -17.033 -8.224  1.00 39.60 ? 388 HOH B O   1 
HETATM 1697 O O   . HOH G 6 .   ? -45.674 -19.560 -31.618 1.00 26.62 ? 389 HOH B O   1 
HETATM 1698 O O   . HOH G 6 .   ? -23.914 -12.364 -6.582  1.00 19.63 ? 390 HOH B O   1 
HETATM 1699 O O   . HOH G 6 .   ? -25.264 -10.421 -23.587 1.00 11.98 ? 391 HOH B O   1 
HETATM 1700 O O   . HOH G 6 .   ? -17.814 -4.354  -5.995  1.00 35.22 ? 392 HOH B O   1 
HETATM 1701 O O   . HOH G 6 .   ? -41.355 -8.463  -13.266 1.00 17.80 ? 393 HOH B O   1 
HETATM 1702 O O   . HOH G 6 .   ? -45.806 -4.289  -33.918 1.00 20.21 ? 394 HOH B O   1 
HETATM 1703 O O   . HOH G 6 .   ? -33.239 -14.875 -6.996  1.00 19.83 ? 395 HOH B O   1 
HETATM 1704 O O   . HOH G 6 .   ? -23.946 -26.713 -16.031 1.00 21.27 ? 396 HOH B O   1 
HETATM 1705 O O   . HOH G 6 .   ? -40.962 -5.889  -37.988 1.00 30.06 ? 397 HOH B O   1 
HETATM 1706 O O   . HOH G 6 .   ? -33.959 -21.722 -36.739 1.00 38.31 ? 398 HOH B O   1 
HETATM 1707 O O   . HOH G 6 .   ? -18.273 -17.271 -36.387 1.00 23.82 ? 399 HOH B O   1 
HETATM 1708 O O   . HOH G 6 .   ? -9.264  -16.074 -26.547 1.00 28.04 ? 400 HOH B O   1 
HETATM 1709 O O   . HOH G 6 .   ? -14.338 -16.447 -32.987 1.00 27.27 ? 401 HOH B O   1 
HETATM 1710 O O   . HOH G 6 .   ? -13.218 -6.224  -29.253 1.00 30.77 ? 402 HOH B O   1 
HETATM 1711 O O   . HOH G 6 .   ? -36.367 -0.153  -42.090 1.00 34.71 ? 403 HOH B O   1 
HETATM 1712 O O   . HOH G 6 .   ? -31.471 3.560   -26.778 1.00 25.47 ? 404 HOH B O   1 
HETATM 1713 O O   . HOH G 6 .   ? -15.824 -12.060 -5.490  1.00 39.49 ? 405 HOH B O   1 
HETATM 1714 O O   . HOH G 6 .   ? -28.647 7.967   -30.067 1.00 28.65 ? 406 HOH B O   1 
HETATM 1715 O O   . HOH G 6 .   ? -40.711 6.390   -33.175 1.00 28.00 ? 407 HOH B O   1 
HETATM 1716 O O   . HOH G 6 .   ? -17.834 -16.002 -6.264  1.00 26.29 ? 408 HOH B O   1 
HETATM 1717 O O   . HOH G 6 .   ? -24.741 -15.006 -6.837  1.00 18.00 ? 409 HOH B O   1 
HETATM 1718 O O   . HOH G 6 .   ? -15.867 -14.587 -8.760  1.00 35.00 ? 410 HOH B O   1 
HETATM 1719 O O   . HOH G 6 .   ? -41.266 5.369   -28.456 1.00 27.66 ? 411 HOH B O   1 
HETATM 1720 O O   . HOH G 6 .   ? -24.722 -11.072 -4.180  1.00 25.21 ? 412 HOH B O   1 
HETATM 1721 O O   . HOH G 6 .   ? -24.253 -4.230  -36.928 1.00 34.90 ? 413 HOH B O   1 
HETATM 1722 O O   . HOH G 6 .   ? -17.834 -11.078 -35.584 1.00 24.63 ? 414 HOH B O   1 
HETATM 1723 O O   . HOH G 6 .   ? -52.298 -14.210 -29.117 1.00 45.00 ? 415 HOH B O   1 
HETATM 1724 O O   . HOH G 6 .   ? -40.300 -7.353  -34.687 1.00 21.48 ? 416 HOH B O   1 
HETATM 1725 O O   . HOH G 6 .   ? -42.326 -4.986  -43.739 1.00 21.71 ? 417 HOH B O   1 
HETATM 1726 O O   . HOH G 6 .   ? -34.560 -8.915  -6.107  1.00 38.20 ? 418 HOH B O   1 
HETATM 1727 O O   . HOH G 6 .   ? -38.733 3.940   -13.579 1.00 31.45 ? 419 HOH B O   1 
HETATM 1728 O O   . HOH G 6 .   ? -34.210 -7.164  -7.908  1.00 30.48 ? 420 HOH B O   1 
HETATM 1729 O O   . HOH G 6 .   ? -24.960 7.138   -28.928 1.00 25.92 ? 421 HOH B O   1 
HETATM 1730 O O   . HOH G 6 .   ? -43.323 3.827   -18.770 1.00 20.08 ? 422 HOH B O   1 
HETATM 1731 O O   . HOH G 6 .   ? -31.003 4.111   -24.421 1.00 25.56 ? 423 HOH B O   1 
HETATM 1732 O O   . HOH G 6 .   ? -30.758 -17.308 -42.796 1.00 36.08 ? 424 HOH B O   1 
HETATM 1733 O O   . HOH G 6 .   ? -19.844 2.318   -23.935 1.00 36.07 ? 425 HOH B O   1 
HETATM 1734 O O   . HOH G 6 .   ? -15.952 -7.341  -11.304 1.00 30.65 ? 426 HOH B O   1 
HETATM 1735 O O   . HOH G 6 .   ? -32.823 -23.539 -33.508 1.00 31.85 ? 427 HOH B O   1 
HETATM 1736 O O   . HOH G 6 .   ? -47.658 0.000   -32.763 0.50 22.23 ? 428 HOH B O   1 
HETATM 1737 O O   . HOH G 6 .   ? -36.533 -6.567  -8.912  1.00 29.52 ? 429 HOH B O   1 
HETATM 1738 O O   . HOH G 6 .   ? -35.743 -2.080  -9.826  1.00 50.69 ? 430 HOH B O   1 
HETATM 1739 O O   . HOH G 6 .   ? -8.481  -22.968 -30.348 1.00 27.35 ? 431 HOH B O   1 
HETATM 1740 O O   . HOH G 6 .   ? -21.530 6.920   -32.328 1.00 27.17 ? 432 HOH B O   1 
HETATM 1741 O O   . HOH G 6 .   ? -40.184 5.109   -22.095 1.00 31.26 ? 433 HOH B O   1 
HETATM 1742 O O   . HOH G 6 .   ? -41.487 -15.401 -17.776 1.00 43.85 ? 434 HOH B O   1 
HETATM 1743 O O   . HOH G 6 .   ? -37.904 6.225   -20.963 1.00 37.41 ? 435 HOH B O   1 
HETATM 1744 O O   . HOH G 6 .   ? -38.638 -16.354 -40.927 1.00 38.47 ? 436 HOH B O   1 
HETATM 1745 O O   . HOH G 6 .   ? -22.764 3.385   -20.570 1.00 36.04 ? 437 HOH B O   1 
HETATM 1746 O O   . HOH G 6 .   ? -15.854 -22.298 -14.584 1.00 28.30 ? 438 HOH B O   1 
HETATM 1747 O O   . HOH G 6 .   ? -36.648 2.139   -43.300 1.00 38.16 ? 439 HOH B O   1 
HETATM 1748 O O   . HOH G 6 .   ? -42.117 -12.933 -22.376 1.00 29.51 ? 440 HOH B O   1 
HETATM 1749 O O   . HOH G 6 .   ? -28.332 -27.658 -16.901 1.00 19.30 ? 441 HOH B O   1 
HETATM 1750 O O   . HOH G 6 .   ? -16.043 -26.933 -17.287 1.00 34.54 ? 442 HOH B O   1 
# 
