data_7HOA
# 
_entry.id   7HOA 
# 
_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   7HOA         pdb_00007hoa 10.2210/pdb7hoa/pdb 
WWPDB D_1001407724 ?            ?                   
# 
_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                        7HOA 
_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 '1-[4-(4-chlorophenyl)piperazin-1-yl]ethan-1-one' 238.713   1   ?        ? ? ? 
4 non-polymer syn 'SULFATE ION'                                     96.063    1   ?        ? ? ? 
5 water       nat water                                             18.015    144 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;52 kDa Ro protein,52 kDa ribonucleoprotein autoantigen Ro/SS-A,Ro(SS-A),Sjoegren syndrome type A antigen,SS-A,Tripartite motif-containing protein 21
;
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_strand_id                 B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 1,2-ETHANEDIOL                                    EDO 
3 '1-[4-(4-chlorophenyl)piperazin-1-yl]ethan-1-one' WNY 
4 'SULFATE ION'                                     SO4 
5 water                                             HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   HIS n 
1 3   HIS n 
1 4   HIS n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   MET n 
1 9   VAL n 
1 10  HIS n 
1 11  ILE n 
1 12  THR n 
1 13  LEU n 
1 14  ASP n 
1 15  ARG n 
1 16  ASN n 
1 17  THR n 
1 18  ALA n 
1 19  ASN n 
1 20  SER n 
1 21  TRP n 
1 22  LEU n 
1 23  ILE n 
1 24  ILE n 
1 25  SER n 
1 26  LYS n 
1 27  ASP n 
1 28  ARG n 
1 29  ARG n 
1 30  GLN n 
1 31  VAL n 
1 32  ARG n 
1 33  MET n 
1 34  GLY n 
1 35  ASP n 
1 36  THR n 
1 37  HIS n 
1 38  GLN n 
1 39  ASN n 
1 40  VAL n 
1 41  SER n 
1 42  ASP n 
1 43  ASN n 
1 44  LYS n 
1 45  GLU n 
1 46  ARG n 
1 47  PHE n 
1 48  SER n 
1 49  ASN n 
1 50  TYR n 
1 51  PRO n 
1 52  MET n 
1 53  VAL n 
1 54  LEU n 
1 55  GLY n 
1 56  ALA n 
1 57  GLN n 
1 58  ARG n 
1 59  PHE n 
1 60  SER n 
1 61  SER n 
1 62  GLY n 
1 63  LYS n 
1 64  MET n 
1 65  TYR n 
1 66  TRP n 
1 67  GLU n 
1 68  VAL n 
1 69  ASP n 
1 70  VAL n 
1 71  THR n 
1 72  GLN n 
1 73  LYS n 
1 74  GLU n 
1 75  ALA n 
1 76  TRP n 
1 77  ASP n 
1 78  LEU n 
1 79  GLY n 
1 80  VAL n 
1 81  CYS n 
1 82  ARG n 
1 83  ASP n 
1 84  SER n 
1 85  VAL n 
1 86  GLN n 
1 87  ARG n 
1 88  LYS n 
1 89  GLY n 
1 90  GLN n 
1 91  PHE n 
1 92  SER n 
1 93  LEU n 
1 94  SER n 
1 95  PRO n 
1 96  GLU n 
1 97  ASN n 
1 98  GLY n 
1 99  PHE n 
1 100 TRP n 
1 101 THR n 
1 102 ILE n 
1 103 TRP n 
1 104 LEU n 
1 105 TRP n 
1 106 GLN n 
1 107 ASP n 
1 108 SER n 
1 109 TYR n 
1 110 GLU n 
1 111 ALA n 
1 112 GLY n 
1 113 THR n 
1 114 SER n 
1 115 PRO n 
1 116 GLN n 
1 117 THR n 
1 118 THR n 
1 119 LEU n 
1 120 HIS n 
1 121 ILE n 
1 122 GLN n 
1 123 VAL n 
1 124 PRO n 
1 125 PRO n 
1 126 CYS n 
1 127 GLN n 
1 128 ILE n 
1 129 GLY n 
1 130 ILE n 
1 131 PHE n 
1 132 VAL n 
1 133 ASP n 
1 134 TYR n 
1 135 GLU n 
1 136 ALA n 
1 137 GLY n 
1 138 VAL n 
1 139 VAL n 
1 140 SER n 
1 141 PHE n 
1 142 TYR n 
1 143 ASN n 
1 144 ILE n 
1 145 THR n 
1 146 ASP n 
1 147 HIS n 
1 148 GLY n 
1 149 SER n 
1 150 LEU n 
1 151 ILE n 
1 152 TYR n 
1 153 THR n 
1 154 PHE n 
1 155 SER n 
1 156 GLU n 
1 157 CYS n 
1 158 VAL n 
1 159 PHE n 
1 160 ALA n 
1 161 GLY n 
1 162 PRO n 
1 163 LEU n 
1 164 ARG n 
1 165 PRO n 
1 166 PHE n 
1 167 PHE n 
1 168 ASN n 
1 169 VAL n 
1 170 GLY n 
1 171 PHE n 
1 172 ASN n 
1 173 TYR n 
1 174 SER n 
1 175 GLY n 
1 176 GLY n 
1 177 ASN n 
1 178 ALA n 
1 179 ALA n 
1 180 PRO n 
1 181 LEU n 
1 182 LYS n 
1 183 LEU n 
1 184 CYS n 
1 185 PRO n 
1 186 LEU n 
1 187 LYS n 
1 188 MET n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   188 
_entity_src_gen.gene_src_common_name               'house mouse' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'Trim21, Ro52, Ssa1' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Mus musculus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     10090 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE                                           ?                 'C3 H7 N O2'      89.093  
ARG 'L-peptide linking' y ARGININE                                          ?                 'C6 H15 N4 O2 1'  175.209 
ASN 'L-peptide linking' y ASPARAGINE                                        ?                 'C4 H8 N2 O3'     132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'                                   ?                 'C4 H7 N O4'      133.103 
CYS 'L-peptide linking' y CYSTEINE                                          ?                 'C3 H7 N O2 S'    121.158 
EDO non-polymer         . 1,2-ETHANEDIOL                                    'ETHYLENE GLYCOL' 'C2 H6 O2'        62.068  
GLN 'L-peptide linking' y GLUTAMINE                                         ?                 'C5 H10 N2 O3'    146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'                                   ?                 'C5 H9 N O4'      147.129 
GLY 'peptide linking'   y GLYCINE                                           ?                 'C2 H5 N O2'      75.067  
HIS 'L-peptide linking' y HISTIDINE                                         ?                 'C6 H10 N3 O2 1'  156.162 
HOH non-polymer         . WATER                                             ?                 'H2 O'            18.015  
ILE 'L-peptide linking' y ISOLEUCINE                                        ?                 'C6 H13 N O2'     131.173 
LEU 'L-peptide linking' y LEUCINE                                           ?                 'C6 H13 N O2'     131.173 
LYS 'L-peptide linking' y LYSINE                                            ?                 'C6 H15 N2 O2 1'  147.195 
MET 'L-peptide linking' y METHIONINE                                        ?                 'C5 H11 N O2 S'   149.211 
PHE 'L-peptide linking' y PHENYLALANINE                                     ?                 'C9 H11 N O2'     165.189 
PRO 'L-peptide linking' y PROLINE                                           ?                 'C5 H9 N O2'      115.130 
SER 'L-peptide linking' y SERINE                                            ?                 'C3 H7 N O3'      105.093 
SO4 non-polymer         . 'SULFATE ION'                                     ?                 'O4 S -2'         96.063  
THR 'L-peptide linking' y THREONINE                                         ?                 'C4 H9 N O3'      119.119 
TRP 'L-peptide linking' y TRYPTOPHAN                                        ?                 'C11 H12 N2 O2'   204.225 
TYR 'L-peptide linking' y TYROSINE                                          ?                 'C9 H11 N O3'     181.189 
VAL 'L-peptide linking' y VALINE                                            ?                 'C5 H11 N O2'     117.146 
WNY non-polymer         . '1-[4-(4-chlorophenyl)piperazin-1-yl]ethan-1-one' ?                 'C12 H15 Cl N2 O' 238.713 
# 
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        WNY 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   WNY 
_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 WNY 1   202 301 WNY LIG B . 
D 2 EDO 1   203 305 EDO EDO B . 
E 4 SO4 1   204 1   SO4 SO4 B . 
F 5 HOH 1   301 11  HOH HOH B . 
F 5 HOH 2   302 12  HOH HOH B . 
F 5 HOH 3   303 4   HOH HOH B . 
F 5 HOH 4   304 99  HOH HOH B . 
F 5 HOH 5   305 29  HOH HOH B . 
F 5 HOH 6   306 33  HOH HOH B . 
F 5 HOH 7   307 2   HOH HOH B . 
F 5 HOH 8   308 1   HOH HOH B . 
F 5 HOH 9   309 26  HOH HOH B . 
F 5 HOH 10  310 40  HOH HOH B . 
F 5 HOH 11  311 16  HOH HOH B . 
F 5 HOH 12  312 27  HOH HOH B . 
F 5 HOH 13  313 63  HOH HOH B . 
F 5 HOH 14  314 51  HOH HOH B . 
F 5 HOH 15  315 5   HOH HOH B . 
F 5 HOH 16  316 95  HOH HOH B . 
F 5 HOH 17  317 184 HOH HOH B . 
F 5 HOH 18  318 34  HOH HOH B . 
F 5 HOH 19  319 25  HOH HOH B . 
F 5 HOH 20  320 21  HOH HOH B . 
F 5 HOH 21  321 80  HOH HOH B . 
F 5 HOH 22  322 72  HOH HOH B . 
F 5 HOH 23  323 86  HOH HOH B . 
F 5 HOH 24  324 11  HOH HOH B . 
F 5 HOH 25  325 100 HOH HOH B . 
F 5 HOH 26  326 70  HOH HOH B . 
F 5 HOH 27  327 39  HOH HOH B . 
F 5 HOH 28  328 16  HOH HOH B . 
F 5 HOH 29  329 10  HOH HOH B . 
F 5 HOH 30  330 18  HOH HOH B . 
F 5 HOH 31  331 85  HOH HOH B . 
F 5 HOH 32  332 90  HOH HOH B . 
F 5 HOH 33  333 68  HOH HOH B . 
F 5 HOH 34  334 211 HOH HOH B . 
F 5 HOH 35  335 102 HOH HOH B . 
F 5 HOH 36  336 15  HOH HOH B . 
F 5 HOH 37  337 55  HOH HOH B . 
F 5 HOH 38  338 31  HOH HOH B . 
F 5 HOH 39  339 7   HOH HOH B . 
F 5 HOH 40  340 89  HOH HOH B . 
F 5 HOH 41  341 129 HOH HOH B . 
F 5 HOH 42  342 2   HOH HOH B . 
F 5 HOH 43  343 58  HOH HOH B . 
F 5 HOH 44  344 22  HOH HOH B . 
F 5 HOH 45  345 62  HOH HOH B . 
F 5 HOH 46  346 20  HOH HOH B . 
F 5 HOH 47  347 157 HOH HOH B . 
F 5 HOH 48  348 29  HOH HOH B . 
F 5 HOH 49  349 81  HOH HOH B . 
F 5 HOH 50  350 27  HOH HOH B . 
F 5 HOH 51  351 9   HOH HOH B . 
F 5 HOH 52  352 36  HOH HOH B . 
F 5 HOH 53  353 50  HOH HOH B . 
F 5 HOH 54  354 66  HOH HOH B . 
F 5 HOH 55  355 267 HOH HOH B . 
F 5 HOH 56  356 76  HOH HOH B . 
F 5 HOH 57  357 71  HOH HOH B . 
F 5 HOH 58  358 116 HOH HOH B . 
F 5 HOH 59  359 26  HOH HOH B . 
F 5 HOH 60  360 93  HOH HOH B . 
F 5 HOH 61  361 3   HOH HOH B . 
F 5 HOH 62  362 264 HOH HOH B . 
F 5 HOH 63  363 47  HOH HOH B . 
F 5 HOH 64  364 126 HOH HOH B . 
F 5 HOH 65  365 19  HOH HOH B . 
F 5 HOH 66  366 3   HOH HOH B . 
F 5 HOH 67  367 4   HOH HOH B . 
F 5 HOH 68  368 281 HOH HOH B . 
F 5 HOH 69  369 1   HOH HOH B . 
F 5 HOH 70  370 64  HOH HOH B . 
F 5 HOH 71  371 10  HOH HOH B . 
F 5 HOH 72  372 43  HOH HOH B . 
F 5 HOH 73  373 6   HOH HOH B . 
F 5 HOH 74  374 73  HOH HOH B . 
F 5 HOH 75  375 30  HOH HOH B . 
F 5 HOH 76  376 304 HOH HOH B . 
F 5 HOH 77  377 172 HOH HOH B . 
F 5 HOH 78  378 28  HOH HOH B . 
F 5 HOH 79  379 61  HOH HOH B . 
F 5 HOH 80  380 14  HOH HOH B . 
F 5 HOH 81  381 59  HOH HOH B . 
F 5 HOH 82  382 8   HOH HOH B . 
F 5 HOH 83  383 32  HOH HOH B . 
F 5 HOH 84  384 17  HOH HOH B . 
F 5 HOH 85  385 46  HOH HOH B . 
F 5 HOH 86  386 60  HOH HOH B . 
F 5 HOH 87  387 97  HOH HOH B . 
F 5 HOH 88  388 137 HOH HOH B . 
F 5 HOH 89  389 24  HOH HOH B . 
F 5 HOH 90  390 303 HOH HOH B . 
F 5 HOH 91  391 25  HOH HOH B . 
F 5 HOH 92  392 13  HOH HOH B . 
F 5 HOH 93  393 49  HOH HOH B . 
F 5 HOH 94  394 23  HOH HOH B . 
F 5 HOH 95  395 42  HOH HOH B . 
F 5 HOH 96  396 8   HOH HOH B . 
F 5 HOH 97  397 48  HOH HOH B . 
F 5 HOH 98  398 12  HOH HOH B . 
F 5 HOH 99  399 45  HOH HOH B . 
F 5 HOH 100 400 112 HOH HOH B . 
F 5 HOH 101 401 20  HOH HOH B . 
F 5 HOH 102 402 125 HOH HOH B . 
F 5 HOH 103 403 18  HOH HOH B . 
F 5 HOH 104 404 56  HOH HOH B . 
F 5 HOH 105 405 7   HOH HOH B . 
F 5 HOH 106 406 32  HOH HOH B . 
F 5 HOH 107 407 41  HOH HOH B . 
F 5 HOH 108 408 54  HOH HOH B . 
F 5 HOH 109 409 257 HOH HOH B . 
F 5 HOH 110 410 263 HOH HOH B . 
F 5 HOH 111 411 154 HOH HOH B . 
F 5 HOH 112 412 22  HOH HOH B . 
F 5 HOH 113 413 38  HOH HOH B . 
F 5 HOH 114 414 15  HOH HOH B . 
F 5 HOH 115 415 156 HOH HOH B . 
F 5 HOH 116 416 33  HOH HOH B . 
F 5 HOH 117 417 57  HOH HOH B . 
F 5 HOH 118 418 140 HOH HOH B . 
F 5 HOH 119 419 214 HOH HOH B . 
F 5 HOH 120 420 53  HOH HOH B . 
F 5 HOH 121 421 120 HOH HOH B . 
F 5 HOH 122 422 5   HOH HOH B . 
F 5 HOH 123 423 197 HOH HOH B . 
F 5 HOH 124 424 19  HOH HOH B . 
F 5 HOH 125 425 69  HOH HOH B . 
F 5 HOH 126 426 44  HOH HOH B . 
F 5 HOH 127 427 103 HOH HOH B . 
F 5 HOH 128 428 30  HOH HOH B . 
F 5 HOH 129 429 266 HOH HOH B . 
F 5 HOH 130 430 114 HOH HOH B . 
F 5 HOH 131 431 115 HOH HOH B . 
F 5 HOH 132 432 23  HOH HOH B . 
F 5 HOH 133 433 133 HOH HOH B . 
F 5 HOH 134 434 21  HOH HOH B . 
F 5 HOH 135 435 98  HOH HOH B . 
F 5 HOH 136 436 13  HOH HOH B . 
F 5 HOH 137 437 166 HOH HOH B . 
F 5 HOH 138 438 104 HOH HOH B . 
F 5 HOH 139 439 127 HOH HOH B . 
F 5 HOH 140 440 205 HOH HOH B . 
F 5 HOH 141 441 131 HOH HOH B . 
F 5 HOH 142 442 14  HOH HOH B . 
F 5 HOH 143 443 270 HOH HOH B . 
F 5 HOH 144 444 259 HOH HOH B . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 B LEU 192 ? CG  ? A LEU 186 CG  
2 1 Y 1 B LEU 192 ? CD1 ? A LEU 186 CD1 
3 1 Y 1 B LEU 192 ? CD2 ? A LEU 186 CD2 
# 
loop_
_software.pdbx_ordinal 
_software.name 
_software.version 
_software.date 
_software.type 
_software.contact_author 
_software.contact_author_email 
_software.classification 
_software.location 
_software.language 
_software.citation_id 
1 REFMAC      5.8.0267 ?               program 'Garib N. Murshudov' garib@ysbl.york.ac.uk    refinement        
http://www.ccp4.ac.uk/dist/html/refmac5.html        Fortran_77 ? 
2 Aimless     0.7.7    23/04/21        program 'Phil Evans'         ?                        'data scaling'    
http://www.mrc-lmb.cam.ac.uk/harry/pre/aimless.html ?          ? 
3 PDB_EXTRACT 3.23     'SEP. 23, 2016' package PDB                  deposit@deposit.rcsb.org 'data extraction' 
http://sw-tools.pdb.org/apps/PDB_EXTRACT/           C++        ? 
4 XDS         .        ?               program ?                    ?                        'data reduction'  ? ?          ? 
5 REFMAC      .        ?               program ?                    ?                        phasing           ? ?          ? 
# 
_cell.entry_id           7HOA 
_cell.length_a           95.402 
_cell.length_b           95.402 
_cell.length_c           45.743 
_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                         7HOA 
_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          7HOA 
_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   48.96 
_exptl_crystal.size_max              ? 
_exptl_crystal.size_mid              ? 
_exptl_crystal.size_min              ? 
_exptl_crystal.size_rad              ? 
_exptl_crystal.description           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.pH              8 
_exptl_crystal_grow.temp            293 
_exptl_crystal_grow.pdbx_details    '4 % PEG 400, 2 M AmmSO4, 0.1 M HEPES pH 8' 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           100 
_diffrn.crystal_id             1 
_diffrn.ambient_temp_details   ? 
# 
_diffrn_detector.detector               PIXEL 
_diffrn_detector.type                   'DECTRIS EIGER2 XE 9M' 
_diffrn_detector.pdbx_collection_date   2024-07-04 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.92134 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'DIAMOND BEAMLINE I04-1' 
_diffrn_source.pdbx_wavelength_list        0.92134 
_diffrn_source.pdbx_synchrotron_site       Diamond 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HOA 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             67.450 
_reflns.d_resolution_high            1.350 
_reflns.number_obs                   45247 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         100.000 
_reflns.pdbx_Rmerge_I_obs            0.122 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        10.700 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              11.900 
_reflns.pdbx_Rrim_I_all              0.127 
_reflns.pdbx_Rpim_I_all              0.035 
_reflns.pdbx_CC_half                 0.998 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     539021 
_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 1.350 1.370  ? 12511 2196 ? 2.112 ? ? ? 5.700  ? 0.500  ? ? ? ? ? ? 99.200 2.326 0.946 0.303 
1 2 7.390 67.450 ? 3663  305  ? 0.059 ? ? ? 12.000 ? 44.800 ? ? ? ? ? ? 99.900 0.062 0.018 0.976 
# 
_refine.entry_id                                 7HOA 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.3500 
_refine.ls_d_res_low                             67.4600 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    99.9000 
_refine.ls_number_reflns_obs                     43027 
_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                          0.1823 
_refine.ls_R_factor_R_work                       0.1813 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.2008 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.8000 
_refine.ls_number_reflns_R_free                  2190 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               17.7760 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.0300 
_refine.aniso_B[2][2]                            0.0300 
_refine.aniso_B[3][3]                            -0.0700 
_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               0.9680 
_refine.correlation_coeff_Fo_to_Fc_free          0.9610 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.overall_SU_R_free                        ? 
_refine.pdbx_overall_ESU_R                       0.0580 
_refine.pdbx_overall_ESU_R_Free                  0.0580 
_refine.overall_SU_ML                            0.0520 
_refine.overall_SU_B                             1.4220 
_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                                81.750 
_refine.B_iso_min                                9.420 
_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                       1.3500 
_refine_hist.d_res_low                        67.4600 
_refine_hist.pdbx_number_atoms_ligand         29 
_refine_hist.number_atoms_solvent             144 
_refine_hist.number_atoms_total               1666 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           44.05 
_refine_hist.pdbx_B_iso_mean_solvent          28.37 
_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       1995 0.011  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1610 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2512 1.735  1.637  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3717 1.441  1.578  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 235  7.059  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 109  27.918 21.009 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 285  11.518 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   19.793 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         217  0.084  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2240 0.012  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     494  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            948  1.434  1.560  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         942  1.419  1.537  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1129 2.230  2.313  ? ? 
# 
_refine_ls_shell.d_res_high                       1.3500 
_refine_ls_shell.d_res_low                        1.3850 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               98.7600 
_refine_ls_shell.number_reflns_R_work             3115 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3540 
_refine_ls_shell.R_factor_R_free                  0.3340 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             142 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                3257 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HOA 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z275165822' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HOA 
_struct_keywords.text            'SGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, TRIM21, LIGASE' 
_struct_keywords.pdbx_keywords   LIGASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 2 ? 
E N N 4 ? 
F N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    RO52_MOUSE 
_struct_ref.pdbx_db_accession          Q62191 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;VHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGVCRDSVQRK
GQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFAGPLRPFFN
VGFNYSGGNAAPLKLCPLKM
;
_struct_ref.pdbx_align_begin           291 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              7HOA 
_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 7HOA MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HOA HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HOA HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HOA HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HOA HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HOA HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HOA HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HOA MET B 8 ? UNP Q62191 ? ? 'expression tag'        14 8 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 4  ? MET A 8  ? HIS B 10  MET B 14  5 ? 5 
HELX_P HELX_P2 AA2 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       -0.97 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 7 ? 
AA2 ? 6 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 LEU A 22  ? ILE A 24  ? LEU B 28  ILE B 30  
AA1 2 GLN A 30  ? MET A 33  ? GLN B 36  MET B 39  
AA1 3 LEU A 181 ? LEU A 183 ? LEU B 187 LEU B 189 
AA1 4 LYS A 63  ? ASP A 69  ? LYS B 69  ASP B 75  
AA1 5 GLN A 127 ? ASP A 133 ? GLN B 133 ASP B 139 
AA1 6 VAL A 138 ? ASN A 143 ? VAL B 144 ASN B 149 
AA1 7 SER A 149 ? PHE A 154 ? SER B 155 PHE B 160 
AA2 1 MET A 52  ? LEU A 54  ? MET B 58  LEU B 60  
AA2 2 LEU A 163 ? ASN A 168 ? LEU B 169 ASN B 174 
AA2 3 TRP A 76  ? ARG A 82  ? TRP B 82  ARG B 88  
AA2 4 PHE A 99  ? TRP A 105 ? PHE B 105 TRP B 111 
AA2 5 SER A 108 ? ALA A 111 ? SER B 114 ALA B 117 
AA2 6 THR A 117 ? THR A 118 ? THR B 123 THR B 124 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N ILE A 23  ? N ILE B 29  O ARG A 32  ? O ARG B 38  
AA1 2 3 N VAL A 31  ? N VAL B 37  O LEU A 181 ? O LEU B 187 
AA1 3 4 O LYS A 182 ? O LYS B 188 N ASP A 69  ? N ASP B 75  
AA1 4 5 N TRP A 66  ? N TRP B 72  O ILE A 130 ? O ILE B 136 
AA1 5 6 N PHE A 131 ? N PHE B 137 O SER A 140 ? O SER B 146 
AA1 6 7 N PHE A 141 ? N PHE B 147 O ILE A 151 ? O ILE B 157 
AA2 1 2 N VAL A 53  ? N VAL B 59  O PHE A 167 ? O PHE B 173 
AA2 2 3 O ARG A 164 ? O ARG B 170 N CYS A 81  ? N CYS B 87  
AA2 3 4 N VAL A 80  ? N VAL B 86  O TRP A 100 ? O TRP B 106 
AA2 4 5 N TRP A 105 ? N TRP B 111 O SER A 108 ? O SER B 114 
AA2 5 6 N ALA A 111 ? N ALA B 117 O THR A 117 ? O THR B 123 
# 
_pdbx_entry_details.entry_id                   7HOA 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             CG 
_pdbx_validate_rmsd_angle.auth_asym_id_1             B 
_pdbx_validate_rmsd_angle.auth_comp_id_1             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_1              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CD 
_pdbx_validate_rmsd_angle.auth_asym_id_2             B 
_pdbx_validate_rmsd_angle.auth_comp_id_2             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_2              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             NE 
_pdbx_validate_rmsd_angle.auth_asym_id_3             B 
_pdbx_validate_rmsd_angle.auth_comp_id_3             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_3              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                125.65 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            13.85 
_pdbx_validate_rmsd_angle.angle_standard_deviation   2.10 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 SER B 67  ? B 178.82  157.16 
2 1 GLN B 78  ? ? 57.86   18.70  
3 1 ASP B 152 ? ? -105.38 52.78  
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    B 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     430 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   F 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
_phasing.method   MR 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 B MET 7   ? A MET 1   
2 1 Y 1 B LYS 193 ? A LYS 187 
3 1 Y 1 B MET 194 ? A MET 188 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
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  
GLN N    N  N N 98  
GLN CA   C  N S 99  
GLN C    C  N N 100 
GLN O    O  N N 101 
GLN CB   C  N N 102 
GLN CG   C  N N 103 
GLN CD   C  N N 104 
GLN OE1  O  N N 105 
GLN NE2  N  N N 106 
GLN OXT  O  N N 107 
GLN H    H  N N 108 
GLN H2   H  N N 109 
GLN HA   H  N N 110 
GLN HB2  H  N N 111 
GLN HB3  H  N N 112 
GLN HG2  H  N N 113 
GLN HG3  H  N N 114 
GLN HE21 H  N N 115 
GLN HE22 H  N N 116 
GLN HXT  H  N N 117 
GLU N    N  N N 118 
GLU CA   C  N S 119 
GLU C    C  N N 120 
GLU O    O  N N 121 
GLU CB   C  N N 122 
GLU CG   C  N N 123 
GLU CD   C  N N 124 
GLU OE1  O  N N 125 
GLU OE2  O  N N 126 
GLU OXT  O  N N 127 
GLU H    H  N N 128 
GLU H2   H  N N 129 
GLU HA   H  N N 130 
GLU HB2  H  N N 131 
GLU HB3  H  N N 132 
GLU HG2  H  N N 133 
GLU HG3  H  N N 134 
GLU HE2  H  N N 135 
GLU HXT  H  N N 136 
GLY N    N  N N 137 
GLY CA   C  N N 138 
GLY C    C  N N 139 
GLY O    O  N N 140 
GLY OXT  O  N N 141 
GLY H    H  N N 142 
GLY H2   H  N N 143 
GLY HA2  H  N N 144 
GLY HA3  H  N N 145 
GLY HXT  H  N N 146 
HIS N    N  N N 147 
HIS CA   C  N S 148 
HIS C    C  N N 149 
HIS O    O  N N 150 
HIS CB   C  N N 151 
HIS CG   C  Y N 152 
HIS ND1  N  Y N 153 
HIS CD2  C  Y N 154 
HIS CE1  C  Y N 155 
HIS NE2  N  Y N 156 
HIS OXT  O  N N 157 
HIS H    H  N N 158 
HIS H2   H  N N 159 
HIS HA   H  N N 160 
HIS HB2  H  N N 161 
HIS HB3  H  N N 162 
HIS HD1  H  N N 163 
HIS HD2  H  N N 164 
HIS HE1  H  N N 165 
HIS HE2  H  N N 166 
HIS HXT  H  N N 167 
HOH O    O  N N 168 
HOH H1   H  N N 169 
HOH H2   H  N N 170 
ILE N    N  N N 171 
ILE CA   C  N S 172 
ILE C    C  N N 173 
ILE O    O  N N 174 
ILE CB   C  N S 175 
ILE CG1  C  N N 176 
ILE CG2  C  N N 177 
ILE CD1  C  N N 178 
ILE OXT  O  N N 179 
ILE H    H  N N 180 
ILE H2   H  N N 181 
ILE HA   H  N N 182 
ILE HB   H  N N 183 
ILE HG12 H  N N 184 
ILE HG13 H  N N 185 
ILE HG21 H  N N 186 
ILE HG22 H  N N 187 
ILE HG23 H  N N 188 
ILE HD11 H  N N 189 
ILE HD12 H  N N 190 
ILE HD13 H  N N 191 
ILE HXT  H  N N 192 
LEU N    N  N N 193 
LEU CA   C  N S 194 
LEU C    C  N N 195 
LEU O    O  N N 196 
LEU CB   C  N N 197 
LEU CG   C  N N 198 
LEU CD1  C  N N 199 
LEU CD2  C  N N 200 
LEU OXT  O  N N 201 
LEU H    H  N N 202 
LEU H2   H  N N 203 
LEU HA   H  N N 204 
LEU HB2  H  N N 205 
LEU HB3  H  N N 206 
LEU HG   H  N N 207 
LEU HD11 H  N N 208 
LEU HD12 H  N N 209 
LEU HD13 H  N N 210 
LEU HD21 H  N N 211 
LEU HD22 H  N N 212 
LEU HD23 H  N N 213 
LEU HXT  H  N N 214 
LYS N    N  N N 215 
LYS CA   C  N S 216 
LYS C    C  N N 217 
LYS O    O  N N 218 
LYS CB   C  N N 219 
LYS CG   C  N N 220 
LYS CD   C  N N 221 
LYS CE   C  N N 222 
LYS NZ   N  N N 223 
LYS OXT  O  N N 224 
LYS H    H  N N 225 
LYS H2   H  N N 226 
LYS HA   H  N N 227 
LYS HB2  H  N N 228 
LYS HB3  H  N N 229 
LYS HG2  H  N N 230 
LYS HG3  H  N N 231 
LYS HD2  H  N N 232 
LYS HD3  H  N N 233 
LYS HE2  H  N N 234 
LYS HE3  H  N N 235 
LYS HZ1  H  N N 236 
LYS HZ2  H  N N 237 
LYS HZ3  H  N N 238 
LYS HXT  H  N N 239 
MET N    N  N N 240 
MET CA   C  N S 241 
MET C    C  N N 242 
MET O    O  N N 243 
MET CB   C  N N 244 
MET CG   C  N N 245 
MET SD   S  N N 246 
MET CE   C  N N 247 
MET OXT  O  N N 248 
MET H    H  N N 249 
MET H2   H  N N 250 
MET HA   H  N N 251 
MET HB2  H  N N 252 
MET HB3  H  N N 253 
MET HG2  H  N N 254 
MET HG3  H  N N 255 
MET HE1  H  N N 256 
MET HE2  H  N N 257 
MET HE3  H  N N 258 
MET HXT  H  N N 259 
PHE N    N  N N 260 
PHE CA   C  N S 261 
PHE C    C  N N 262 
PHE O    O  N N 263 
PHE CB   C  N N 264 
PHE CG   C  Y N 265 
PHE CD1  C  Y N 266 
PHE CD2  C  Y N 267 
PHE CE1  C  Y N 268 
PHE CE2  C  Y N 269 
PHE CZ   C  Y N 270 
PHE OXT  O  N N 271 
PHE H    H  N N 272 
PHE H2   H  N N 273 
PHE HA   H  N N 274 
PHE HB2  H  N N 275 
PHE HB3  H  N N 276 
PHE HD1  H  N N 277 
PHE HD2  H  N N 278 
PHE HE1  H  N N 279 
PHE HE2  H  N N 280 
PHE HZ   H  N N 281 
PHE HXT  H  N N 282 
PRO N    N  N N 283 
PRO CA   C  N S 284 
PRO C    C  N N 285 
PRO O    O  N N 286 
PRO CB   C  N N 287 
PRO CG   C  N N 288 
PRO CD   C  N N 289 
PRO OXT  O  N N 290 
PRO H    H  N N 291 
PRO HA   H  N N 292 
PRO HB2  H  N N 293 
PRO HB3  H  N N 294 
PRO HG2  H  N N 295 
PRO HG3  H  N N 296 
PRO HD2  H  N N 297 
PRO HD3  H  N N 298 
PRO HXT  H  N N 299 
SER N    N  N N 300 
SER CA   C  N S 301 
SER C    C  N N 302 
SER O    O  N N 303 
SER CB   C  N N 304 
SER OG   O  N N 305 
SER OXT  O  N N 306 
SER H    H  N N 307 
SER H2   H  N N 308 
SER HA   H  N N 309 
SER HB2  H  N N 310 
SER HB3  H  N N 311 
SER HG   H  N N 312 
SER HXT  H  N N 313 
SO4 S    S  N N 314 
SO4 O1   O  N N 315 
SO4 O2   O  N N 316 
SO4 O3   O  N N 317 
SO4 O4   O  N N 318 
THR N    N  N N 319 
THR CA   C  N S 320 
THR C    C  N N 321 
THR O    O  N N 322 
THR CB   C  N R 323 
THR OG1  O  N N 324 
THR CG2  C  N N 325 
THR OXT  O  N N 326 
THR H    H  N N 327 
THR H2   H  N N 328 
THR HA   H  N N 329 
THR HB   H  N N 330 
THR HG1  H  N N 331 
THR HG21 H  N N 332 
THR HG22 H  N N 333 
THR HG23 H  N N 334 
THR HXT  H  N N 335 
TRP N    N  N N 336 
TRP CA   C  N S 337 
TRP C    C  N N 338 
TRP O    O  N N 339 
TRP CB   C  N N 340 
TRP CG   C  Y N 341 
TRP CD1  C  Y N 342 
TRP CD2  C  Y N 343 
TRP NE1  N  Y N 344 
TRP CE2  C  Y N 345 
TRP CE3  C  Y N 346 
TRP CZ2  C  Y N 347 
TRP CZ3  C  Y N 348 
TRP CH2  C  Y N 349 
TRP OXT  O  N N 350 
TRP H    H  N N 351 
TRP H2   H  N N 352 
TRP HA   H  N N 353 
TRP HB2  H  N N 354 
TRP HB3  H  N N 355 
TRP HD1  H  N N 356 
TRP HE1  H  N N 357 
TRP HE3  H  N N 358 
TRP HZ2  H  N N 359 
TRP HZ3  H  N N 360 
TRP HH2  H  N N 361 
TRP HXT  H  N N 362 
TYR N    N  N N 363 
TYR CA   C  N S 364 
TYR C    C  N N 365 
TYR O    O  N N 366 
TYR CB   C  N N 367 
TYR CG   C  Y N 368 
TYR CD1  C  Y N 369 
TYR CD2  C  Y N 370 
TYR CE1  C  Y N 371 
TYR CE2  C  Y N 372 
TYR CZ   C  Y N 373 
TYR OH   O  N N 374 
TYR OXT  O  N N 375 
TYR H    H  N N 376 
TYR H2   H  N N 377 
TYR HA   H  N N 378 
TYR HB2  H  N N 379 
TYR HB3  H  N N 380 
TYR HD1  H  N N 381 
TYR HD2  H  N N 382 
TYR HE1  H  N N 383 
TYR HE2  H  N N 384 
TYR HH   H  N N 385 
TYR HXT  H  N N 386 
VAL N    N  N N 387 
VAL CA   C  N S 388 
VAL C    C  N N 389 
VAL O    O  N N 390 
VAL CB   C  N N 391 
VAL CG1  C  N N 392 
VAL CG2  C  N N 393 
VAL OXT  O  N N 394 
VAL H    H  N N 395 
VAL H2   H  N N 396 
VAL HA   H  N N 397 
VAL HB   H  N N 398 
VAL HG11 H  N N 399 
VAL HG12 H  N N 400 
VAL HG13 H  N N 401 
VAL HG21 H  N N 402 
VAL HG22 H  N N 403 
VAL HG23 H  N N 404 
VAL HXT  H  N N 405 
WNY C10  C  Y N 406 
WNY C13  C  Y N 407 
WNY C15  C  Y N 408 
WNY C01  C  N N 409 
WNY C02  C  N N 410 
WNY C05  C  N N 411 
WNY C06  C  N N 412 
WNY C08  C  N N 413 
WNY C09  C  N N 414 
WNY C11  C  Y N 415 
WNY C12  C  Y N 416 
WNY C16  C  Y N 417 
WNY N04  N  N N 418 
WNY N07  N  N N 419 
WNY O03  O  N N 420 
WNY CL1  CL N N 421 
WNY H1   H  N N 422 
WNY H2   H  N N 423 
WNY H3   H  N N 424 
WNY H4   H  N N 425 
WNY H5   H  N N 426 
WNY H6   H  N N 427 
WNY H7   H  N N 428 
WNY H8   H  N N 429 
WNY H9   H  N N 430 
WNY H10  H  N N 431 
WNY H11  H  N N 432 
WNY H12  H  N N 433 
WNY H13  H  N N 434 
WNY H14  H  N N 435 
WNY H15  H  N N 436 
# 
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  
GLN N   CA   sing N N 92  
GLN N   H    sing N N 93  
GLN N   H2   sing N N 94  
GLN CA  C    sing N N 95  
GLN CA  CB   sing N N 96  
GLN CA  HA   sing N N 97  
GLN C   O    doub N N 98  
GLN C   OXT  sing N N 99  
GLN CB  CG   sing N N 100 
GLN CB  HB2  sing N N 101 
GLN CB  HB3  sing N N 102 
GLN CG  CD   sing N N 103 
GLN CG  HG2  sing N N 104 
GLN CG  HG3  sing N N 105 
GLN CD  OE1  doub N N 106 
GLN CD  NE2  sing N N 107 
GLN NE2 HE21 sing N N 108 
GLN NE2 HE22 sing N N 109 
GLN OXT HXT  sing N N 110 
GLU N   CA   sing N N 111 
GLU N   H    sing N N 112 
GLU N   H2   sing N N 113 
GLU CA  C    sing N N 114 
GLU CA  CB   sing N N 115 
GLU CA  HA   sing N N 116 
GLU C   O    doub N N 117 
GLU C   OXT  sing N N 118 
GLU CB  CG   sing N N 119 
GLU CB  HB2  sing N N 120 
GLU CB  HB3  sing N N 121 
GLU CG  CD   sing N N 122 
GLU CG  HG2  sing N N 123 
GLU CG  HG3  sing N N 124 
GLU CD  OE1  doub N N 125 
GLU CD  OE2  sing N N 126 
GLU OE2 HE2  sing N N 127 
GLU OXT HXT  sing N N 128 
GLY N   CA   sing N N 129 
GLY N   H    sing N N 130 
GLY N   H2   sing N N 131 
GLY CA  C    sing N N 132 
GLY CA  HA2  sing N N 133 
GLY CA  HA3  sing N N 134 
GLY C   O    doub N N 135 
GLY C   OXT  sing N N 136 
GLY OXT HXT  sing N N 137 
HIS N   CA   sing N N 138 
HIS N   H    sing N N 139 
HIS N   H2   sing N N 140 
HIS CA  C    sing N N 141 
HIS CA  CB   sing N N 142 
HIS CA  HA   sing N N 143 
HIS C   O    doub N N 144 
HIS C   OXT  sing N N 145 
HIS CB  CG   sing N N 146 
HIS CB  HB2  sing N N 147 
HIS CB  HB3  sing N N 148 
HIS CG  ND1  sing Y N 149 
HIS CG  CD2  doub Y N 150 
HIS ND1 CE1  doub Y N 151 
HIS ND1 HD1  sing N N 152 
HIS CD2 NE2  sing Y N 153 
HIS CD2 HD2  sing N N 154 
HIS CE1 NE2  sing Y N 155 
HIS CE1 HE1  sing N N 156 
HIS NE2 HE2  sing N N 157 
HIS OXT HXT  sing N N 158 
HOH O   H1   sing N N 159 
HOH O   H2   sing N N 160 
ILE N   CA   sing N N 161 
ILE N   H    sing N N 162 
ILE N   H2   sing N N 163 
ILE CA  C    sing N N 164 
ILE CA  CB   sing N N 165 
ILE CA  HA   sing N N 166 
ILE C   O    doub N N 167 
ILE C   OXT  sing N N 168 
ILE CB  CG1  sing N N 169 
ILE CB  CG2  sing N N 170 
ILE CB  HB   sing N N 171 
ILE CG1 CD1  sing N N 172 
ILE CG1 HG12 sing N N 173 
ILE CG1 HG13 sing N N 174 
ILE CG2 HG21 sing N N 175 
ILE CG2 HG22 sing N N 176 
ILE CG2 HG23 sing N N 177 
ILE CD1 HD11 sing N N 178 
ILE CD1 HD12 sing N N 179 
ILE CD1 HD13 sing N N 180 
ILE OXT HXT  sing N N 181 
LEU N   CA   sing N N 182 
LEU N   H    sing N N 183 
LEU N   H2   sing N N 184 
LEU CA  C    sing N N 185 
LEU CA  CB   sing N N 186 
LEU CA  HA   sing N N 187 
LEU C   O    doub N N 188 
LEU C   OXT  sing N N 189 
LEU CB  CG   sing N N 190 
LEU CB  HB2  sing N N 191 
LEU CB  HB3  sing N N 192 
LEU CG  CD1  sing N N 193 
LEU CG  CD2  sing N N 194 
LEU CG  HG   sing N N 195 
LEU CD1 HD11 sing N N 196 
LEU CD1 HD12 sing N N 197 
LEU CD1 HD13 sing N N 198 
LEU CD2 HD21 sing N N 199 
LEU CD2 HD22 sing N N 200 
LEU CD2 HD23 sing N N 201 
LEU OXT HXT  sing N N 202 
LYS N   CA   sing N N 203 
LYS N   H    sing N N 204 
LYS N   H2   sing N N 205 
LYS CA  C    sing N N 206 
LYS CA  CB   sing N N 207 
LYS CA  HA   sing N N 208 
LYS C   O    doub N N 209 
LYS C   OXT  sing N N 210 
LYS CB  CG   sing N N 211 
LYS CB  HB2  sing N N 212 
LYS CB  HB3  sing N N 213 
LYS CG  CD   sing N N 214 
LYS CG  HG2  sing N N 215 
LYS CG  HG3  sing N N 216 
LYS CD  CE   sing N N 217 
LYS CD  HD2  sing N N 218 
LYS CD  HD3  sing N N 219 
LYS CE  NZ   sing N N 220 
LYS CE  HE2  sing N N 221 
LYS CE  HE3  sing N N 222 
LYS NZ  HZ1  sing N N 223 
LYS NZ  HZ2  sing N N 224 
LYS NZ  HZ3  sing N N 225 
LYS OXT HXT  sing N N 226 
MET N   CA   sing N N 227 
MET N   H    sing N N 228 
MET N   H2   sing N N 229 
MET CA  C    sing N N 230 
MET CA  CB   sing N N 231 
MET CA  HA   sing N N 232 
MET C   O    doub N N 233 
MET C   OXT  sing N N 234 
MET CB  CG   sing N N 235 
MET CB  HB2  sing N N 236 
MET CB  HB3  sing N N 237 
MET CG  SD   sing N N 238 
MET CG  HG2  sing N N 239 
MET CG  HG3  sing N N 240 
MET SD  CE   sing N N 241 
MET CE  HE1  sing N N 242 
MET CE  HE2  sing N N 243 
MET CE  HE3  sing N N 244 
MET OXT HXT  sing N N 245 
PHE N   CA   sing N N 246 
PHE N   H    sing N N 247 
PHE N   H2   sing N N 248 
PHE CA  C    sing N N 249 
PHE CA  CB   sing N N 250 
PHE CA  HA   sing N N 251 
PHE C   O    doub N N 252 
PHE C   OXT  sing N N 253 
PHE CB  CG   sing N N 254 
PHE CB  HB2  sing N N 255 
PHE CB  HB3  sing N N 256 
PHE CG  CD1  doub Y N 257 
PHE CG  CD2  sing Y N 258 
PHE CD1 CE1  sing Y N 259 
PHE CD1 HD1  sing N N 260 
PHE CD2 CE2  doub Y N 261 
PHE CD2 HD2  sing N N 262 
PHE CE1 CZ   doub Y N 263 
PHE CE1 HE1  sing N N 264 
PHE CE2 CZ   sing Y N 265 
PHE CE2 HE2  sing N N 266 
PHE CZ  HZ   sing N N 267 
PHE OXT HXT  sing N N 268 
PRO N   CA   sing N N 269 
PRO N   CD   sing N N 270 
PRO N   H    sing N N 271 
PRO CA  C    sing N N 272 
PRO CA  CB   sing N N 273 
PRO CA  HA   sing N N 274 
PRO C   O    doub N N 275 
PRO C   OXT  sing N N 276 
PRO CB  CG   sing N N 277 
PRO CB  HB2  sing N N 278 
PRO CB  HB3  sing N N 279 
PRO CG  CD   sing N N 280 
PRO CG  HG2  sing N N 281 
PRO CG  HG3  sing N N 282 
PRO CD  HD2  sing N N 283 
PRO CD  HD3  sing N N 284 
PRO OXT HXT  sing N N 285 
SER N   CA   sing N N 286 
SER N   H    sing N N 287 
SER N   H2   sing N N 288 
SER CA  C    sing N N 289 
SER CA  CB   sing N N 290 
SER CA  HA   sing N N 291 
SER C   O    doub N N 292 
SER C   OXT  sing N N 293 
SER CB  OG   sing N N 294 
SER CB  HB2  sing N N 295 
SER CB  HB3  sing N N 296 
SER OG  HG   sing N N 297 
SER OXT HXT  sing N N 298 
SO4 S   O1   doub N N 299 
SO4 S   O2   doub N N 300 
SO4 S   O3   sing N N 301 
SO4 S   O4   sing N N 302 
THR N   CA   sing N N 303 
THR N   H    sing N N 304 
THR N   H2   sing N N 305 
THR CA  C    sing N N 306 
THR CA  CB   sing N N 307 
THR CA  HA   sing N N 308 
THR C   O    doub N N 309 
THR C   OXT  sing N N 310 
THR CB  OG1  sing N N 311 
THR CB  CG2  sing N N 312 
THR CB  HB   sing N N 313 
THR OG1 HG1  sing N N 314 
THR CG2 HG21 sing N N 315 
THR CG2 HG22 sing N N 316 
THR CG2 HG23 sing N N 317 
THR OXT HXT  sing N N 318 
TRP N   CA   sing N N 319 
TRP N   H    sing N N 320 
TRP N   H2   sing N N 321 
TRP CA  C    sing N N 322 
TRP CA  CB   sing N N 323 
TRP CA  HA   sing N N 324 
TRP C   O    doub N N 325 
TRP C   OXT  sing N N 326 
TRP CB  CG   sing N N 327 
TRP CB  HB2  sing N N 328 
TRP CB  HB3  sing N N 329 
TRP CG  CD1  doub Y N 330 
TRP CG  CD2  sing Y N 331 
TRP CD1 NE1  sing Y N 332 
TRP CD1 HD1  sing N N 333 
TRP CD2 CE2  doub Y N 334 
TRP CD2 CE3  sing Y N 335 
TRP NE1 CE2  sing Y N 336 
TRP NE1 HE1  sing N N 337 
TRP CE2 CZ2  sing Y N 338 
TRP CE3 CZ3  doub Y N 339 
TRP CE3 HE3  sing N N 340 
TRP CZ2 CH2  doub Y N 341 
TRP CZ2 HZ2  sing N N 342 
TRP CZ3 CH2  sing Y N 343 
TRP CZ3 HZ3  sing N N 344 
TRP CH2 HH2  sing N N 345 
TRP OXT HXT  sing N N 346 
TYR N   CA   sing N N 347 
TYR N   H    sing N N 348 
TYR N   H2   sing N N 349 
TYR CA  C    sing N N 350 
TYR CA  CB   sing N N 351 
TYR CA  HA   sing N N 352 
TYR C   O    doub N N 353 
TYR C   OXT  sing N N 354 
TYR CB  CG   sing N N 355 
TYR CB  HB2  sing N N 356 
TYR CB  HB3  sing N N 357 
TYR CG  CD1  doub Y N 358 
TYR CG  CD2  sing Y N 359 
TYR CD1 CE1  sing Y N 360 
TYR CD1 HD1  sing N N 361 
TYR CD2 CE2  doub Y N 362 
TYR CD2 HD2  sing N N 363 
TYR CE1 CZ   doub Y N 364 
TYR CE1 HE1  sing N N 365 
TYR CE2 CZ   sing Y N 366 
TYR CE2 HE2  sing N N 367 
TYR CZ  OH   sing N N 368 
TYR OH  HH   sing N N 369 
TYR OXT HXT  sing N N 370 
VAL N   CA   sing N N 371 
VAL N   H    sing N N 372 
VAL N   H2   sing N N 373 
VAL CA  C    sing N N 374 
VAL CA  CB   sing N N 375 
VAL CA  HA   sing N N 376 
VAL C   O    doub N N 377 
VAL C   OXT  sing N N 378 
VAL CB  CG1  sing N N 379 
VAL CB  CG2  sing N N 380 
VAL CB  HB   sing N N 381 
VAL CG1 HG11 sing N N 382 
VAL CG1 HG12 sing N N 383 
VAL CG1 HG13 sing N N 384 
VAL CG2 HG21 sing N N 385 
VAL CG2 HG22 sing N N 386 
VAL CG2 HG23 sing N N 387 
VAL OXT HXT  sing N N 388 
WNY CL1 C13  sing N N 389 
WNY C13 C15  doub Y N 390 
WNY C13 C12  sing Y N 391 
WNY C15 C16  sing Y N 392 
WNY C12 C11  doub Y N 393 
WNY C16 C10  doub Y N 394 
WNY C11 C10  sing Y N 395 
WNY C10 N07  sing N N 396 
WNY N07 C06  sing N N 397 
WNY N07 C08  sing N N 398 
WNY C06 C05  sing N N 399 
WNY C08 C09  sing N N 400 
WNY C05 N04  sing N N 401 
WNY C09 N04  sing N N 402 
WNY N04 C02  sing N N 403 
WNY C02 O03  doub N N 404 
WNY C02 C01  sing N N 405 
WNY C15 H1   sing N N 406 
WNY C01 H2   sing N N 407 
WNY C01 H3   sing N N 408 
WNY C01 H4   sing N N 409 
WNY C05 H5   sing N N 410 
WNY C05 H6   sing N N 411 
WNY C06 H7   sing N N 412 
WNY C06 H8   sing N N 413 
WNY C08 H9   sing N N 414 
WNY C08 H10  sing N N 415 
WNY C09 H11  sing N N 416 
WNY C09 H12  sing N N 417 
WNY C11 H13  sing N N 418 
WNY C12 H14  sing N N 419 
WNY C16 H15  sing N N 420 
# 
_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                    7HOA 
_atom_sites.fract_transf_matrix[1][1]   0.010482 
_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]   0.010482 
_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]   0.021861 
_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  
CL 
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   ? -13.282 -12.857 -9.856  1.00 65.45 ? 8   HIS B N   1 
ATOM   2    C  CA  . HIS A 1 2   ? -12.798 -13.467 -11.145 1.00 59.86 ? 8   HIS B CA  1 
ATOM   3    C  C   . HIS A 1 2   ? -11.695 -12.591 -11.747 1.00 58.75 ? 8   HIS B C   1 
ATOM   4    O  O   . HIS A 1 2   ? -11.623 -11.385 -11.399 1.00 63.07 ? 8   HIS B O   1 
ATOM   5    C  CB  . HIS A 1 2   ? -13.962 -13.685 -12.136 1.00 51.80 ? 8   HIS B CB  1 
ATOM   6    C  CG  . HIS A 1 2   ? -14.513 -12.438 -12.755 1.00 47.97 ? 8   HIS B CG  1 
ATOM   7    N  ND1 . HIS A 1 2   ? -13.959 -11.873 -13.888 1.00 46.98 ? 8   HIS B ND1 1 
ATOM   8    C  CD2 . HIS A 1 2   ? -15.571 -11.659 -12.431 1.00 44.38 ? 8   HIS B CD2 1 
ATOM   9    C  CE1 . HIS A 1 2   ? -14.632 -10.782 -14.211 1.00 48.42 ? 8   HIS B CE1 1 
ATOM   10   N  NE2 . HIS A 1 2   ? -15.625 -10.619 -13.330 1.00 39.30 ? 8   HIS B NE2 1 
ATOM   11   N  N   . HIS A 1 3   ? -10.913 -13.170 -12.657 1.00 53.93 ? 9   HIS B N   1 
ATOM   12   C  CA  . HIS A 1 3   ? -9.780  -12.516 -13.366 1.00 56.20 ? 9   HIS B CA  1 
ATOM   13   C  C   . HIS A 1 3   ? -9.969  -12.630 -14.893 1.00 47.60 ? 9   HIS B C   1 
ATOM   14   O  O   . HIS A 1 3   ? -8.945  -12.769 -15.600 1.00 48.68 ? 9   HIS B O   1 
ATOM   15   C  CB  . HIS A 1 3   ? -8.464  -13.098 -12.812 1.00 65.57 ? 9   HIS B CB  1 
ATOM   16   C  CG  . HIS A 1 3   ? -8.345  -12.937 -11.325 1.00 75.91 ? 9   HIS B CG  1 
ATOM   17   N  ND1 . HIS A 1 3   ? -8.165  -11.698 -10.719 1.00 77.14 ? 9   HIS B ND1 1 
ATOM   18   C  CD2 . HIS A 1 3   ? -8.410  -13.838 -10.317 1.00 80.86 ? 9   HIS B CD2 1 
ATOM   19   C  CE1 . HIS A 1 3   ? -8.109  -11.849 -9.409  1.00 78.89 ? 9   HIS B CE1 1 
ATOM   20   N  NE2 . HIS A 1 3   ? -8.253  -13.153 -9.137  1.00 81.75 ? 9   HIS B NE2 1 
ATOM   21   N  N   . HIS A 1 4   ? -11.223 -12.510 -15.386 1.00 40.29 ? 10  HIS B N   1 
ATOM   22   C  CA  . HIS A 1 4   ? -11.629 -12.694 -16.815 1.00 32.42 ? 10  HIS B CA  1 
ATOM   23   C  C   . HIS A 1 4   ? -11.624 -11.367 -17.577 1.00 31.46 ? 10  HIS B C   1 
ATOM   24   O  O   . HIS A 1 4   ? -11.740 -11.401 -18.812 1.00 27.72 ? 10  HIS B O   1 
ATOM   25   C  CB  . HIS A 1 4   ? -13.040 -13.308 -16.918 1.00 30.83 ? 10  HIS B CB  1 
ATOM   26   C  CG  . HIS A 1 4   ? -13.153 -14.672 -16.328 1.00 31.51 ? 10  HIS B CG  1 
ATOM   27   N  ND1 . HIS A 1 4   ? -12.237 -15.689 -16.617 1.00 31.20 ? 10  HIS B ND1 1 
ATOM   28   C  CD2 . HIS A 1 4   ? -14.078 -15.216 -15.506 1.00 29.14 ? 10  HIS B CD2 1 
ATOM   29   C  CE1 . HIS A 1 4   ? -12.588 -16.787 -15.974 1.00 36.46 ? 10  HIS B CE1 1 
ATOM   30   N  NE2 . HIS A 1 4   ? -13.725 -16.524 -15.298 1.00 32.37 ? 10  HIS B NE2 1 
ATOM   31   N  N   . HIS A 1 5   ? -11.469 -10.242 -16.876 1.00 33.68 ? 11  HIS B N   1 
ATOM   32   C  CA  . HIS A 1 5   ? -11.568 -8.861  -17.432 1.00 37.00 ? 11  HIS B CA  1 
ATOM   33   C  C   . HIS A 1 5   ? -10.675 -8.669  -18.670 1.00 35.66 ? 11  HIS B C   1 
ATOM   34   O  O   . HIS A 1 5   ? -11.132 -7.971  -19.608 1.00 33.97 ? 11  HIS B O   1 
ATOM   35   C  CB  . HIS A 1 5   ? -11.264 -7.803  -16.352 1.00 42.50 ? 11  HIS B CB  1 
ATOM   36   C  CG  . HIS A 1 5   ? -12.113 -7.949  -15.135 1.00 50.50 ? 11  HIS B CG  1 
ATOM   37   N  ND1 . HIS A 1 5   ? -11.712 -8.706  -14.037 1.00 61.18 ? 11  HIS B ND1 1 
ATOM   38   C  CD2 . HIS A 1 5   ? -13.345 -7.473  -14.840 1.00 55.95 ? 11  HIS B CD2 1 
ATOM   39   C  CE1 . HIS A 1 5   ? -12.661 -8.677  -13.113 1.00 61.31 ? 11  HIS B CE1 1 
ATOM   40   N  NE2 . HIS A 1 5   ? -13.678 -7.930  -13.584 1.00 58.13 ? 11  HIS B NE2 1 
ATOM   41   N  N   . HIS A 1 6   ? -9.476  -9.279  -18.710 1.00 34.76 ? 12  HIS B N   1 
ATOM   42   C  CA  . HIS A 1 6   ? -8.496  -9.136  -19.823 1.00 32.38 ? 12  HIS B CA  1 
ATOM   43   C  C   . HIS A 1 6   ? -9.000  -9.753  -21.134 1.00 30.47 ? 12  HIS B C   1 
ATOM   44   O  O   . HIS A 1 6   ? -8.376  -9.466  -22.173 1.00 30.31 ? 12  HIS B O   1 
ATOM   45   C  CB  . HIS A 1 6   ? -7.116  -9.713  -19.450 1.00 38.55 ? 12  HIS B CB  1 
ATOM   46   C  CG  . HIS A 1 6   ? -7.113  -11.157 -19.086 1.00 39.09 ? 12  HIS B CG  1 
ATOM   47   N  ND1 . HIS A 1 6   ? -6.542  -12.130 -19.904 1.00 46.04 ? 12  HIS B ND1 1 
ATOM   48   C  CD2 . HIS A 1 6   ? -7.554  -11.802 -17.982 1.00 41.84 ? 12  HIS B CD2 1 
ATOM   49   C  CE1 . HIS A 1 6   ? -6.662  -13.312 -19.332 1.00 40.20 ? 12  HIS B CE1 1 
ATOM   50   N  NE2 . HIS A 1 6   ? -7.277  -13.140 -18.151 1.00 47.09 ? 12  HIS B NE2 1 
ATOM   51   N  N   . HIS A 1 7   ? -10.081 -10.555 -21.129 1.00 25.62 ? 13  HIS B N   1 
ATOM   52   C  CA  . HIS A 1 7   ? -10.704 -11.111 -22.371 1.00 24.13 ? 13  HIS B CA  1 
ATOM   53   C  C   . HIS A 1 7   ? -11.808 -10.182 -22.865 1.00 21.22 ? 13  HIS B C   1 
ATOM   54   O  O   . HIS A 1 7   ? -12.659 -10.653 -23.670 1.00 17.55 ? 13  HIS B O   1 
ATOM   55   C  CB  . HIS A 1 7   ? -11.260 -12.509 -22.121 1.00 22.07 ? 13  HIS B CB  1 
ATOM   56   C  CG  . HIS A 1 7   ? -10.213 -13.484 -21.668 1.00 22.81 ? 13  HIS B CG  1 
ATOM   57   N  ND1 . HIS A 1 7   ? -9.155  -13.828 -22.491 1.00 22.87 ? 13  HIS B ND1 1 
ATOM   58   C  CD2 . HIS A 1 7   ? -10.081 -14.187 -20.521 1.00 23.63 ? 13  HIS B CD2 1 
ATOM   59   C  CE1 . HIS A 1 7   ? -8.397  -14.704 -21.852 1.00 22.81 ? 13  HIS B CE1 1 
ATOM   60   N  NE2 . HIS A 1 7   ? -8.918  -14.931 -20.638 1.00 25.36 ? 13  HIS B NE2 1 
ATOM   61   N  N   . MET A 1 8   ? -11.855 -8.957  -22.345 1.00 20.96 ? 14  MET B N   1 
ATOM   62   C  CA  . MET A 1 8   ? -12.884 -7.941  -22.688 1.00 23.37 ? 14  MET B CA  1 
ATOM   63   C  C   . MET A 1 8   ? -12.996 -7.798  -24.213 1.00 22.61 ? 14  MET B C   1 
ATOM   64   O  O   . MET A 1 8   ? -11.969 -7.671  -24.917 1.00 25.24 ? 14  MET B O   1 
ATOM   65   C  CB  . MET A 1 8   ? -12.537 -6.600  -22.034 1.00 29.04 ? 14  MET B CB  1 
ATOM   66   C  CG  . MET A 1 8   ? -13.570 -5.485  -22.209 1.00 33.39 ? 14  MET B CG  1 
ATOM   67   S  SD  . MET A 1 8   ? -15.173 -5.750  -21.331 1.00 43.58 ? 14  MET B SD  1 
ATOM   68   C  CE  . MET A 1 8   ? -14.830 -5.048  -19.720 1.00 36.11 ? 14  MET B CE  1 
ATOM   69   N  N   . VAL A 1 9   ? -14.219 -7.810  -24.730 1.00 18.10 ? 15  VAL B N   1 
ATOM   70   C  CA  . VAL A 1 9   ? -14.519 -7.563  -26.168 1.00 19.05 ? 15  VAL B CA  1 
ATOM   71   C  C   . VAL A 1 9   ? -15.512 -6.383  -26.244 1.00 19.91 ? 15  VAL B C   1 
ATOM   72   O  O   . VAL A 1 9   ? -16.389 -6.252  -25.340 1.00 20.29 ? 15  VAL B O   1 
ATOM   73   C  CB  . VAL A 1 9   ? -15.033 -8.822  -26.889 1.00 21.23 ? 15  VAL B CB  1 
ATOM   74   C  CG1 . VAL A 1 9   ? -13.951 -9.888  -26.927 1.00 24.29 ? 15  VAL B CG1 1 
ATOM   75   C  CG2 . VAL A 1 9   ? -16.286 -9.395  -26.258 1.00 22.16 ? 15  VAL B CG2 1 
ATOM   76   N  N   . HIS A 1 10  ? -15.460 -5.632  -27.340 1.00 19.82 ? 16  HIS B N   1 
ATOM   77   C  CA  . HIS A 1 10  ? -16.330 -4.449  -27.561 1.00 20.07 ? 16  HIS B CA  1 
ATOM   78   C  C   . HIS A 1 10  ? -17.560 -4.944  -28.331 1.00 19.44 ? 16  HIS B C   1 
ATOM   79   O  O   . HIS A 1 10  ? -17.450 -5.320  -29.522 1.00 22.29 ? 16  HIS B O   1 
ATOM   80   C  CB  . HIS A 1 10  ? -15.595 -3.355  -28.333 1.00 20.82 ? 16  HIS B CB  1 
ATOM   81   C  CG  . HIS A 1 10  ? -16.357 -2.081  -28.519 1.00 23.67 ? 16  HIS B CG  1 
ATOM   82   N  ND1 . HIS A 1 10  ? -16.470 -1.137  -27.524 1.00 27.28 ? 16  HIS B ND1 1 
ATOM   83   C  CD2 . HIS A 1 10  ? -17.087 -1.630  -29.567 1.00 26.76 ? 16  HIS B CD2 1 
ATOM   84   C  CE1 . HIS A 1 10  ? -17.199 -0.124  -27.967 1.00 26.18 ? 16  HIS B CE1 1 
ATOM   85   N  NE2 . HIS A 1 10  ? -17.592 -0.404  -29.225 1.00 31.27 ? 16  HIS B NE2 1 
ATOM   86   N  N   . ILE A 1 11  ? -18.682 -5.089  -27.639 1.00 15.46 ? 17  ILE B N   1 
ATOM   87   C  CA  . ILE A 1 11  ? -19.934 -5.574  -28.253 1.00 16.85 ? 17  ILE B CA  1 
ATOM   88   C  C   . ILE A 1 11  ? -20.752 -4.376  -28.760 1.00 15.34 ? 17  ILE B C   1 
ATOM   89   O  O   . ILE A 1 11  ? -20.778 -3.355  -28.114 1.00 15.77 ? 17  ILE B O   1 
ATOM   90   C  CB  . ILE A 1 11  ? -20.743 -6.399  -27.243 1.00 15.57 ? 17  ILE B CB  1 
ATOM   91   C  CG1 . ILE A 1 11  ? -19.944 -7.602  -26.727 1.00 17.42 ? 17  ILE B CG1 1 
ATOM   92   C  CG2 . ILE A 1 11  ? -22.076 -6.814  -27.851 1.00 14.45 ? 17  ILE B CG2 1 
ATOM   93   C  CD1 . ILE A 1 11  ? -19.415 -8.531  -27.797 1.00 18.42 ? 17  ILE B CD1 1 
ATOM   94   N  N   . THR A 1 12  ? -21.329 -4.535  -29.939 1.00 14.95 ? 18  THR B N   1 
ATOM   95   C  CA  . THR A 1 12  ? -22.324 -3.565  -30.476 1.00 15.94 ? 18  THR B CA  1 
ATOM   96   C  C   . THR A 1 12  ? -23.580 -4.341  -30.862 1.00 16.67 ? 18  THR B C   1 
ATOM   97   O  O   . THR A 1 12  ? -23.510 -5.572  -31.138 1.00 17.47 ? 18  THR B O   1 
ATOM   98   C  CB  . THR A 1 12  ? -21.758 -2.768  -31.649 1.00 18.39 ? 18  THR B CB  1 
ATOM   99   O  OG1 . THR A 1 12  ? -21.435 -3.675  -32.685 1.00 19.38 ? 18  THR B OG1 1 
ATOM   100  C  CG2 . THR A 1 12  ? -20.566 -1.910  -31.261 1.00 21.20 ? 18  THR B CG2 1 
ATOM   101  N  N   . LEU A 1 13  ? -24.721 -3.658  -30.838 1.00 14.76 ? 19  LEU B N   1 
ATOM   102  C  CA  . LEU A 1 13  ? -26.011 -4.298  -31.132 1.00 14.84 ? 19  LEU B CA  1 
ATOM   103  C  C   . LEU A 1 13  ? -26.262 -4.305  -32.644 1.00 15.22 ? 19  LEU B C   1 
ATOM   104  O  O   . LEU A 1 13  ? -25.973 -3.276  -33.308 1.00 16.21 ? 19  LEU B O   1 
ATOM   105  C  CB  . LEU A 1 13  ? -27.105 -3.568  -30.350 1.00 14.87 ? 19  LEU B CB  1 
ATOM   106  C  CG  . LEU A 1 13  ? -26.926 -3.605  -28.840 1.00 15.09 ? 19  LEU B CG  1 
ATOM   107  C  CD1 . LEU A 1 13  ? -27.897 -2.690  -28.090 1.00 17.06 ? 19  LEU B CD1 1 
ATOM   108  C  CD2 . LEU A 1 13  ? -27.004 -5.029  -28.313 1.00 15.57 ? 19  LEU B CD2 1 
ATOM   109  N  N   . ASP A 1 14  ? -26.917 -5.334  -33.117 1.00 14.15 ? 20  ASP B N   1 
ATOM   110  C  CA  . ASP A 1 14  ? -27.278 -5.510  -34.551 1.00 13.87 ? 20  ASP B CA  1 
ATOM   111  C  C   . ASP A 1 14  ? -28.757 -5.103  -34.705 1.00 15.50 ? 20  ASP B C   1 
ATOM   112  O  O   . ASP A 1 14  ? -29.661 -5.904  -34.396 1.00 14.64 ? 20  ASP B O   1 
ATOM   113  C  CB  . ASP A 1 14  ? -27.034 -6.947  -35.031 1.00 14.05 ? 20  ASP B CB  1 
ATOM   114  C  CG  . ASP A 1 14  ? -27.300 -7.196  -36.510 1.00 18.36 ? 20  ASP B CG  1 
ATOM   115  O  OD1 . ASP A 1 14  ? -27.951 -6.319  -37.135 1.00 18.31 ? 20  ASP B OD1 1 
ATOM   116  O  OD2 . ASP A 1 14  ? -26.973 -8.310  -37.002 1.00 19.49 ? 20  ASP B OD2 1 
ATOM   117  N  N   A ARG A 1 15  ? -28.964 -3.872  -35.196 0.25 15.57 ? 21  ARG B N   1 
ATOM   118  N  N   B ARG A 1 15  ? -28.991 -3.880  -35.191 0.25 16.62 ? 21  ARG B N   1 
ATOM   119  C  CA  A ARG A 1 15  ? -30.286 -3.246  -35.488 0.25 17.19 ? 21  ARG B CA  1 
ATOM   120  C  CA  B ARG A 1 15  ? -30.351 -3.304  -35.394 0.25 18.87 ? 21  ARG B CA  1 
ATOM   121  C  C   A ARG A 1 15  ? -31.196 -4.199  -36.262 0.25 16.63 ? 21  ARG B C   1 
ATOM   122  C  C   B ARG A 1 15  ? -31.221 -4.221  -36.256 0.25 17.70 ? 21  ARG B C   1 
ATOM   123  O  O   A ARG A 1 15  ? -32.421 -4.187  -36.003 0.25 15.79 ? 21  ARG B O   1 
ATOM   124  O  O   B ARG A 1 15  ? -32.453 -4.223  -36.041 0.25 16.56 ? 21  ARG B O   1 
ATOM   125  C  CB  A ARG A 1 15  ? -30.112 -1.988  -36.353 0.25 17.97 ? 21  ARG B CB  1 
ATOM   126  C  CB  B ARG A 1 15  ? -30.269 -1.935  -36.081 0.25 21.80 ? 21  ARG B CB  1 
ATOM   127  C  CG  A ARG A 1 15  ? -29.192 -0.936  -35.753 0.25 19.80 ? 21  ARG B CG  1 
ATOM   128  C  CG  B ARG A 1 15  ? -29.860 -0.798  -35.157 0.25 25.00 ? 21  ARG B CG  1 
ATOM   129  C  CD  A ARG A 1 15  ? -29.177 0.356   -36.561 0.25 19.62 ? 21  ARG B CD  1 
ATOM   130  C  CD  B ARG A 1 15  ? -28.388 -0.450  -35.310 0.25 28.91 ? 21  ARG B CD  1 
ATOM   131  N  NE  A ARG A 1 15  ? -28.709 1.438   -35.714 0.25 20.09 ? 21  ARG B NE  1 
ATOM   132  N  NE  B ARG A 1 15  ? -28.093 0.533   -36.358 0.25 32.11 ? 21  ARG B NE  1 
ATOM   133  C  CZ  A ARG A 1 15  ? -29.444 1.986   -34.768 0.25 19.52 ? 21  ARG B CZ  1 
ATOM   134  C  CZ  B ARG A 1 15  ? -27.638 0.259   -37.584 0.25 34.93 ? 21  ARG B CZ  1 
ATOM   135  N  NH1 A ARG A 1 15  ? -30.684 1.572   -34.601 0.25 20.07 ? 21  ARG B NH1 1 
ATOM   136  N  NH1 B ARG A 1 15  ? -27.426 -0.983  -37.980 0.25 37.56 ? 21  ARG B NH1 1 
ATOM   137  N  NH2 A ARG A 1 15  ? -28.950 2.944   -34.010 0.25 20.36 ? 21  ARG B NH2 1 
ATOM   138  N  NH2 B ARG A 1 15  ? -27.404 1.247   -38.426 0.25 37.04 ? 21  ARG B NH2 1 
ATOM   139  N  N   . ASN A 1 16  ? -30.638 -4.964  -37.203 1.00 16.61 ? 22  ASN B N   1 
ATOM   140  C  CA  . ASN A 1 16  ? -31.445 -5.801  -38.118 1.00 18.18 ? 22  ASN B CA  1 
ATOM   141  C  C   . ASN A 1 16  ? -32.107 -6.979  -37.401 1.00 15.58 ? 22  ASN B C   1 
ATOM   142  O  O   . ASN A 1 16  ? -33.151 -7.466  -37.881 1.00 15.15 ? 22  ASN B O   1 
ATOM   143  C  CB  . ASN A 1 16  ? -30.589 -6.246  -39.302 1.00 21.85 ? 22  ASN B CB  1 
ATOM   144  C  CG  . ASN A 1 16  ? -30.415 -5.128  -40.307 1.00 29.70 ? 22  ASN B CG  1 
ATOM   145  O  OD1 . ASN A 1 16  ? -31.217 -4.199  -40.369 1.00 34.75 ? 22  ASN B OD1 1 
ATOM   146  N  ND2 . ASN A 1 16  ? -29.374 -5.221  -41.110 1.00 41.24 ? 22  ASN B ND2 1 
ATOM   147  N  N   . THR A 1 17  ? -31.590 -7.368  -36.216 1.00 13.22 ? 23  THR B N   1 
ATOM   148  C  CA  . THR A 1 17  ? -32.120 -8.489  -35.428 1.00 14.01 ? 23  THR B CA  1 
ATOM   149  C  C   . THR A 1 17  ? -33.163 -8.001  -34.422 1.00 13.14 ? 23  THR B C   1 
ATOM   150  O  O   . THR A 1 17  ? -33.842 -8.828  -33.827 1.00 13.21 ? 23  THR B O   1 
ATOM   151  C  CB  . THR A 1 17  ? -31.025 -9.260  -34.676 1.00 13.19 ? 23  THR B CB  1 
ATOM   152  O  OG1 . THR A 1 17  ? -30.471 -8.427  -33.655 1.00 13.48 ? 23  THR B OG1 1 
ATOM   153  C  CG2 . THR A 1 17  ? -30.010 -9.815  -35.659 1.00 14.68 ? 23  THR B CG2 1 
ATOM   154  N  N   . ALA A 1 18  ? -33.228 -6.696  -34.188 1.00 12.35 ? 24  ALA B N   1 
ATOM   155  C  CA  . ALA A 1 18  ? -34.041 -6.153  -33.075 1.00 12.25 ? 24  ALA B CA  1 
ATOM   156  C  C   . ALA A 1 18  ? -35.543 -6.303  -33.338 1.00 13.71 ? 24  ALA B C   1 
ATOM   157  O  O   . ALA A 1 18  ? -36.024 -6.042  -34.471 1.00 13.86 ? 24  ALA B O   1 
ATOM   158  C  CB  . ALA A 1 18  ? -33.722 -4.705  -32.892 1.00 13.45 ? 24  ALA B CB  1 
ATOM   159  N  N   . ASN A 1 19  ? -36.295 -6.615  -32.299 1.00 13.26 ? 25  ASN B N   1 
ATOM   160  C  CA  . ASN A 1 19  ? -37.759 -6.444  -32.301 1.00 12.29 ? 25  ASN B CA  1 
ATOM   161  C  C   . ASN A 1 19  ? -38.049 -5.003  -32.747 1.00 11.61 ? 25  ASN B C   1 
ATOM   162  O  O   . ASN A 1 19  ? -37.336 -4.046  -32.427 1.00 12.22 ? 25  ASN B O   1 
ATOM   163  C  CB  . ASN A 1 19  ? -38.295 -6.765  -30.921 1.00 13.32 ? 25  ASN B CB  1 
ATOM   164  C  CG  . ASN A 1 19  ? -39.773 -6.552  -30.809 1.00 15.81 ? 25  ASN B CG  1 
ATOM   165  O  OD1 . ASN A 1 19  ? -40.217 -5.419  -30.646 1.00 14.64 ? 25  ASN B OD1 1 
ATOM   166  N  ND2 . ASN A 1 19  ? -40.501 -7.629  -30.779 1.00 20.89 ? 25  ASN B ND2 1 
ATOM   167  N  N   . SER A 1 20  ? -39.120 -4.860  -33.508 1.00 12.30 ? 26  SER B N   1 
ATOM   168  C  CA  . SER A 1 20  ? -39.455 -3.601  -34.191 1.00 13.55 ? 26  SER B CA  1 
ATOM   169  C  C   . SER A 1 20  ? -39.846 -2.504  -33.223 1.00 12.85 ? 26  SER B C   1 
ATOM   170  O  O   . SER A 1 20  ? -39.982 -1.361  -33.695 1.00 13.93 ? 26  SER B O   1 
ATOM   171  C  CB  . SER A 1 20  ? -40.556 -3.851  -35.182 1.00 14.50 ? 26  SER B CB  1 
ATOM   172  O  OG  . SER A 1 20  ? -41.716 -4.305  -34.493 1.00 17.65 ? 26  SER B OG  1 
ATOM   173  N  N   . TRP A 1 21  ? -40.017 -2.761  -31.940 1.00 12.44 ? 27  TRP B N   1 
ATOM   174  C  CA  . TRP A 1 21  ? -40.348 -1.722  -30.943 1.00 12.47 ? 27  TRP B CA  1 
ATOM   175  C  C   . TRP A 1 21  ? -39.097 -1.248  -30.199 1.00 12.89 ? 27  TRP B C   1 
ATOM   176  O  O   . TRP A 1 21  ? -39.195 -0.327  -29.378 1.00 13.42 ? 27  TRP B O   1 
ATOM   177  C  CB  . TRP A 1 21  ? -41.361 -2.238  -29.939 1.00 12.90 ? 27  TRP B CB  1 
ATOM   178  C  CG  . TRP A 1 21  ? -42.754 -2.386  -30.478 1.00 13.98 ? 27  TRP B CG  1 
ATOM   179  C  CD1 . TRP A 1 21  ? -43.146 -2.895  -31.690 1.00 14.70 ? 27  TRP B CD1 1 
ATOM   180  C  CD2 . TRP A 1 21  ? -43.943 -1.949  -29.816 1.00 17.15 ? 27  TRP B CD2 1 
ATOM   181  N  NE1 . TRP A 1 21  ? -44.521 -2.845  -31.793 1.00 16.35 ? 27  TRP B NE1 1 
ATOM   182  C  CE2 . TRP A 1 21  ? -45.021 -2.303  -30.647 1.00 15.63 ? 27  TRP B CE2 1 
ATOM   183  C  CE3 . TRP A 1 21  ? -44.187 -1.367  -28.567 1.00 18.59 ? 27  TRP B CE3 1 
ATOM   184  C  CZ2 . TRP A 1 21  ? -46.345 -2.004  -30.280 1.00 19.24 ? 27  TRP B CZ2 1 
ATOM   185  C  CZ3 . TRP A 1 21  ? -45.496 -1.088  -28.202 1.00 20.38 ? 27  TRP B CZ3 1 
ATOM   186  C  CH2 . TRP A 1 21  ? -46.543 -1.445  -29.037 1.00 20.29 ? 27  TRP B CH2 1 
ATOM   187  N  N   . LEU A 1 22  ? -37.929 -1.861  -30.481 1.00 12.99 ? 28  LEU B N   1 
ATOM   188  C  CA  . LEU A 1 22  ? -36.701 -1.455  -29.769 1.00 12.96 ? 28  LEU B CA  1 
ATOM   189  C  C   . LEU A 1 22  ? -36.101 -0.162  -30.382 1.00 13.00 ? 28  LEU B C   1 
ATOM   190  O  O   . LEU A 1 22  ? -36.103 0.026   -31.613 1.00 12.71 ? 28  LEU B O   1 
ATOM   191  C  CB  . LEU A 1 22  ? -35.687 -2.605  -29.801 1.00 11.85 ? 28  LEU B CB  1 
ATOM   192  C  CG  . LEU A 1 22  ? -36.112 -3.853  -29.052 1.00 13.39 ? 28  LEU B CG  1 
ATOM   193  C  CD1 . LEU A 1 22  ? -35.013 -4.874  -29.036 1.00 13.61 ? 28  LEU B CD1 1 
ATOM   194  C  CD2 . LEU A 1 22  ? -36.527 -3.580  -27.634 1.00 13.50 ? 28  LEU B CD2 1 
ATOM   195  N  N   . ILE A 1 23  ? -35.462 0.605   -29.520 1.00 13.42 ? 29  ILE B N   1 
ATOM   196  C  CA  . ILE A 1 23  ? -34.696 1.826   -29.863 1.00 14.03 ? 29  ILE B CA  1 
ATOM   197  C  C   . ILE A 1 23  ? -33.241 1.605   -29.425 1.00 13.61 ? 29  ILE B C   1 
ATOM   198  O  O   . ILE A 1 23  ? -32.980 1.479   -28.217 1.00 15.07 ? 29  ILE B O   1 
ATOM   199  C  CB  . ILE A 1 23  ? -35.279 3.086   -29.229 1.00 14.82 ? 29  ILE B CB  1 
ATOM   200  C  CG1 . ILE A 1 23  ? -36.786 3.307   -29.552 1.00 15.08 ? 29  ILE B CG1 1 
ATOM   201  C  CG2 . ILE A 1 23  ? -34.416 4.300   -29.604 1.00 16.71 ? 29  ILE B CG2 1 
ATOM   202  C  CD1 . ILE A 1 23  ? -37.442 4.378   -28.772 1.00 18.16 ? 29  ILE B CD1 1 
ATOM   203  N  N   . ILE A 1 24  ? -32.378 1.529   -30.418 1.00 16.71 ? 30  ILE B N   1 
ATOM   204  C  CA  . ILE A 1 24  ? -30.922 1.330   -30.212 1.00 16.90 ? 30  ILE B CA  1 
ATOM   205  C  C   . ILE A 1 24  ? -30.231 2.667   -30.401 1.00 19.05 ? 30  ILE B C   1 
ATOM   206  O  O   . ILE A 1 24  ? -30.510 3.398   -31.397 1.00 18.85 ? 30  ILE B O   1 
ATOM   207  C  CB  . ILE A 1 24  ? -30.402 0.256   -31.163 1.00 17.07 ? 30  ILE B CB  1 
ATOM   208  C  CG1 . ILE A 1 24  ? -30.962 -1.111  -30.801 1.00 20.04 ? 30  ILE B CG1 1 
ATOM   209  C  CG2 . ILE A 1 24  ? -28.871 0.204   -31.179 1.00 17.62 ? 30  ILE B CG2 1 
ATOM   210  C  CD1 . ILE A 1 24  ? -30.748 -2.076  -31.815 1.00 20.82 ? 30  ILE B CD1 1 
ATOM   211  N  N   . SER A 1 25  ? -29.324 3.000   -29.496 1.00 17.72 ? 31  SER B N   1 
ATOM   212  C  CA  . SER A 1 25  ? -28.620 4.292   -29.541 1.00 17.23 ? 31  SER B CA  1 
ATOM   213  C  C   . SER A 1 25  ? -27.724 4.378   -30.788 1.00 16.09 ? 31  SER B C   1 
ATOM   214  O  O   . SER A 1 25  ? -27.340 3.363   -31.350 1.00 16.57 ? 31  SER B O   1 
ATOM   215  C  CB  . SER A 1 25  ? -27.826 4.477   -28.281 1.00 18.69 ? 31  SER B CB  1 
ATOM   216  O  OG  . SER A 1 25  ? -26.910 3.384   -28.148 1.00 18.22 ? 31  SER B OG  1 
ATOM   217  N  N   . LYS A 1 26  ? -27.323 5.611   -31.150 1.00 19.41 ? 32  LYS B N   1 
ATOM   218  C  CA  . LYS A 1 26  ? -26.432 5.829   -32.317 1.00 19.93 ? 32  LYS B CA  1 
ATOM   219  C  C   . LYS A 1 26  ? -25.141 5.005   -32.202 1.00 18.05 ? 32  LYS B C   1 
ATOM   220  O  O   . LYS A 1 26  ? -24.696 4.509   -33.233 1.00 20.91 ? 32  LYS B O   1 
ATOM   221  C  CB  . LYS A 1 26  ? -26.112 7.327   -32.391 1.00 22.16 ? 32  LYS B CB  1 
ATOM   222  C  CG  . LYS A 1 26  ? -25.137 7.695   -33.488 1.00 26.44 ? 32  LYS B CG  1 
ATOM   223  C  CD  . LYS A 1 26  ? -25.258 9.151   -33.857 1.00 26.59 ? 32  LYS B CD  1 
ATOM   224  C  CE  . LYS A 1 26  ? -25.038 10.013  -32.647 1.00 32.23 ? 32  LYS B CE  1 
ATOM   225  N  NZ  . LYS A 1 26  ? -25.240 11.421  -33.001 1.00 37.45 ? 32  LYS B NZ  1 
ATOM   226  N  N   . ASP A 1 27  ? -24.565 4.914   -31.002 1.00 19.61 ? 33  ASP B N   1 
ATOM   227  C  CA  . ASP A 1 27  ? -23.293 4.160   -30.800 1.00 18.20 ? 33  ASP B CA  1 
ATOM   228  C  C   . ASP A 1 27  ? -23.533 2.639   -30.764 1.00 17.51 ? 33  ASP B C   1 
ATOM   229  O  O   . ASP A 1 27  ? -22.538 1.909   -30.652 1.00 17.63 ? 33  ASP B O   1 
ATOM   230  C  CB  . ASP A 1 27  ? -22.532 4.657   -29.562 1.00 18.88 ? 33  ASP B CB  1 
ATOM   231  C  CG  . ASP A 1 27  ? -23.200 4.417   -28.224 1.00 18.82 ? 33  ASP B CG  1 
ATOM   232  O  OD1 . ASP A 1 27  ? -24.316 3.804   -28.197 1.00 19.70 ? 33  ASP B OD1 1 
ATOM   233  O  OD2 . ASP A 1 27  ? -22.573 4.805   -27.203 1.00 23.00 ? 33  ASP B OD2 1 
ATOM   234  N  N   . ARG A 1 28  ? -24.769 2.165   -30.887 1.00 15.47 ? 34  ARG B N   1 
ATOM   235  C  CA  . ARG A 1 28  ? -25.119 0.727   -30.895 1.00 15.18 ? 34  ARG B CA  1 
ATOM   236  C  C   . ARG A 1 28  ? -24.693 0.068   -29.566 1.00 12.88 ? 34  ARG B C   1 
ATOM   237  O  O   . ARG A 1 28  ? -24.508 -1.174  -29.547 1.00 13.69 ? 34  ARG B O   1 
ATOM   238  C  CB  . ARG A 1 28  ? -24.591 0.060   -32.170 1.00 19.36 ? 34  ARG B CB  1 
ATOM   239  C  CG  . ARG A 1 28  ? -25.272 0.626   -33.418 1.00 23.19 ? 34  ARG B CG  1 
ATOM   240  C  CD  . ARG A 1 28  ? -24.915 -0.008  -34.729 1.00 31.58 ? 34  ARG B CD  1 
ATOM   241  N  NE  . ARG A 1 28  ? -23.496 -0.240  -34.910 1.00 39.51 ? 34  ARG B NE  1 
ATOM   242  C  CZ  . ARG A 1 28  ? -22.852 -1.427  -34.827 1.00 53.13 ? 34  ARG B CZ  1 
ATOM   243  N  NH1 . ARG A 1 28  ? -23.477 -2.579  -34.559 1.00 46.66 ? 34  ARG B NH1 1 
ATOM   244  N  NH2 . ARG A 1 28  ? -21.540 -1.446  -35.033 1.00 58.49 ? 34  ARG B NH2 1 
ATOM   245  N  N   . ARG A 1 29  ? -24.650 0.805   -28.482 1.00 13.28 ? 35  ARG B N   1 
ATOM   246  C  CA  . ARG A 1 29  ? -24.257 0.291   -27.140 1.00 14.19 ? 35  ARG B CA  1 
ATOM   247  C  C   . ARG A 1 29  ? -25.407 0.259   -26.142 1.00 15.00 ? 35  ARG B C   1 
ATOM   248  O  O   . ARG A 1 29  ? -25.212 -0.317  -25.037 1.00 15.21 ? 35  ARG B O   1 
ATOM   249  C  CB  . ARG A 1 29  ? -23.069 1.067   -26.569 1.00 15.88 ? 35  ARG B CB  1 
ATOM   250  C  CG  . ARG A 1 29  ? -21.839 1.012   -27.461 1.00 18.11 ? 35  ARG B CG  1 
ATOM   251  C  CD  . ARG A 1 29  ? -20.991 -0.209  -27.230 1.00 18.59 ? 35  ARG B CD  1 
ATOM   252  N  NE  . ARG A 1 29  ? -20.223 -0.033  -25.993 1.00 19.42 ? 35  ARG B NE  1 
ATOM   253  C  CZ  . ARG A 1 29  ? -19.496 -0.990  -25.409 1.00 18.88 ? 35  ARG B CZ  1 
ATOM   254  N  NH1 . ARG A 1 29  ? -19.415 -2.168  -25.978 1.00 19.04 ? 35  ARG B NH1 1 
ATOM   255  N  NH2 . ARG A 1 29  ? -18.847 -0.751  -24.276 1.00 20.59 ? 35  ARG B NH2 1 
ATOM   256  N  N   . GLN A 1 30  ? -26.560 0.858   -26.454 1.00 13.27 ? 36  GLN B N   1 
ATOM   257  C  CA  . GLN A 1 30  ? -27.723 0.904   -25.546 1.00 13.19 ? 36  GLN B CA  1 
ATOM   258  C  C   . GLN A 1 30  ? -28.998 0.540   -26.295 1.00 12.65 ? 36  GLN B C   1 
ATOM   259  O  O   . GLN A 1 30  ? -29.102 0.773   -27.536 1.00 13.87 ? 36  GLN B O   1 
ATOM   260  C  CB  . GLN A 1 30  ? -27.945 2.308   -24.960 1.00 15.59 ? 36  GLN B CB  1 
ATOM   261  C  CG  . GLN A 1 30  ? -26.695 2.924   -24.375 1.00 20.04 ? 36  GLN B CG  1 
ATOM   262  C  CD  . GLN A 1 30  ? -27.070 4.157   -23.583 1.00 24.41 ? 36  GLN B CD  1 
ATOM   263  O  OE1 . GLN A 1 30  ? -28.215 4.340   -23.149 1.00 27.42 ? 36  GLN B OE1 1 
ATOM   264  N  NE2 . GLN A 1 30  ? -26.080 4.988   -23.377 1.00 29.03 ? 36  GLN B NE2 1 
ATOM   265  N  N   . VAL A 1 31  ? -29.910 -0.099  -25.589 1.00 11.78 ? 37  VAL B N   1 
ATOM   266  C  CA  . VAL A 1 31  ? -31.214 -0.474  -26.193 1.00 12.09 ? 37  VAL B CA  1 
ATOM   267  C  C   . VAL A 1 31  ? -32.292 -0.299  -25.138 1.00 12.48 ? 37  VAL B C   1 
ATOM   268  O  O   . VAL A 1 31  ? -32.081 -0.688  -23.977 1.00 11.94 ? 37  VAL B O   1 
ATOM   269  C  CB  . VAL A 1 31  ? -31.166 -1.884  -26.814 1.00 11.64 ? 37  VAL B CB  1 
ATOM   270  C  CG1 . VAL A 1 31  ? -30.743 -2.982  -25.816 1.00 12.13 ? 37  VAL B CG1 1 
ATOM   271  C  CG2 . VAL A 1 31  ? -32.492 -2.248  -27.484 1.00 13.11 ? 37  VAL B CG2 1 
ATOM   272  N  N   . ARG A 1 32  ? -33.452 0.204   -25.537 1.00 12.96 ? 38  ARG B N   1 
ATOM   273  C  CA  . ARG A 1 32  ? -34.640 0.257   -24.645 1.00 13.65 ? 38  ARG B CA  1 
ATOM   274  C  C   . ARG A 1 32  ? -35.902 -0.033  -25.465 1.00 13.21 ? 38  ARG B C   1 
ATOM   275  O  O   . ARG A 1 32  ? -35.893 0.062   -26.721 1.00 12.13 ? 38  ARG B O   1 
ATOM   276  C  CB  . ARG A 1 32  ? -34.795 1.614   -23.970 1.00 14.21 ? 38  ARG B CB  1 
ATOM   277  C  CG  . ARG A 1 32  ? -35.043 2.766   -24.928 1.00 17.76 ? 38  ARG B CG  1 
ATOM   278  C  CD  . ARG A 1 32  ? -35.011 4.045   -24.102 1.00 20.18 ? 38  ARG B CD  1 
ATOM   279  N  NE  . ARG A 1 32  ? -35.252 5.191   -24.957 1.00 23.42 ? 38  ARG B NE  1 
ATOM   280  C  CZ  . ARG A 1 32  ? -36.429 5.669   -25.319 1.00 21.43 ? 38  ARG B CZ  1 
ATOM   281  N  NH1 . ARG A 1 32  ? -37.556 5.133   -24.898 1.00 25.49 ? 38  ARG B NH1 1 
ATOM   282  N  NH2 . ARG A 1 32  ? -36.457 6.726   -26.137 1.00 27.42 ? 38  ARG B NH2 1 
ATOM   283  N  N   A MET A 1 33  ? -36.963 -0.368  -24.737 0.25 13.26 ? 39  MET B N   1 
ATOM   284  N  N   B MET A 1 33  ? -36.980 -0.434  -24.794 0.25 14.72 ? 39  MET B N   1 
ATOM   285  C  CA  A MET A 1 33  ? -38.328 -0.610  -25.268 0.25 14.32 ? 39  MET B CA  1 
ATOM   286  C  CA  B MET A 1 33  ? -38.264 -0.725  -25.487 0.25 16.69 ? 39  MET B CA  1 
ATOM   287  C  C   A MET A 1 33  ? -38.948 0.746   -25.628 0.25 14.31 ? 39  MET B C   1 
ATOM   288  C  C   B MET A 1 33  ? -39.047 0.580   -25.622 0.25 15.79 ? 39  MET B C   1 
ATOM   289  O  O   A MET A 1 33  ? -38.927 1.657   -24.788 0.25 15.39 ? 39  MET B O   1 
ATOM   290  O  O   B MET A 1 33  ? -39.335 1.198   -24.580 0.25 15.79 ? 39  MET B O   1 
ATOM   291  C  CB  A MET A 1 33  ? -39.149 -1.348  -24.204 0.25 14.31 ? 39  MET B CB  1 
ATOM   292  C  CB  B MET A 1 33  ? -39.133 -1.751  -24.755 0.25 18.82 ? 39  MET B CB  1 
ATOM   293  C  CG  A MET A 1 33  ? -40.542 -1.772  -24.661 0.25 15.08 ? 39  MET B CG  1 
ATOM   294  C  CG  B MET A 1 33  ? -40.500 -1.944  -25.447 0.25 22.03 ? 39  MET B CG  1 
ATOM   295  S  SD  A MET A 1 33  ? -40.455 -2.754  -26.199 0.25 16.07 ? 39  MET B SD  1 
ATOM   296  S  SD  B MET A 1 33  ? -41.264 -3.545  -25.095 0.25 26.00 ? 39  MET B SD  1 
ATOM   297  C  CE  A MET A 1 33  ? -42.015 -3.633  -26.185 0.25 16.74 ? 39  MET B CE  1 
ATOM   298  C  CE  B MET A 1 33  ? -42.460 -3.610  -26.429 0.25 26.19 ? 39  MET B CE  1 
ATOM   299  N  N   . GLY A 1 34  ? -39.402 0.901   -26.869 1.00 14.83 ? 40  GLY B N   1 
ATOM   300  C  CA  . GLY A 1 34  ? -40.191 2.083   -27.257 1.00 16.07 ? 40  GLY B CA  1 
ATOM   301  C  C   . GLY A 1 34  ? -41.653 1.908   -26.870 1.00 17.00 ? 40  GLY B C   1 
ATOM   302  O  O   . GLY A 1 34  ? -42.069 0.785   -26.466 1.00 17.40 ? 40  GLY B O   1 
ATOM   303  N  N   . ASP A 1 35  ? -42.412 3.023   -26.904 1.00 20.09 ? 41  ASP B N   1 
ATOM   304  C  CA  . ASP A 1 35  ? -43.858 2.960   -26.527 1.00 23.45 ? 41  ASP B CA  1 
ATOM   305  C  C   . ASP A 1 35  ? -44.689 2.575   -27.773 1.00 24.38 ? 41  ASP B C   1 
ATOM   306  O  O   . ASP A 1 35  ? -45.917 2.392   -27.647 1.00 23.83 ? 41  ASP B O   1 
ATOM   307  C  CB  . ASP A 1 35  ? -44.302 4.228   -25.771 1.00 28.81 ? 41  ASP B CB  1 
ATOM   308  C  CG  . ASP A 1 35  ? -43.801 4.325   -24.314 1.00 37.99 ? 41  ASP B CG  1 
ATOM   309  O  OD1 . ASP A 1 35  ? -43.493 3.265   -23.701 1.00 43.37 ? 41  ASP B OD1 1 
ATOM   310  O  OD2 . ASP A 1 35  ? -43.761 5.454   -23.756 1.00 39.78 ? 41  ASP B OD2 1 
ATOM   311  N  N   . THR A 1 36  ? -44.060 2.282   -28.909 1.00 18.70 ? 42  THR B N   1 
ATOM   312  C  CA  . THR A 1 36  ? -44.769 1.970   -30.187 1.00 18.28 ? 42  THR B CA  1 
ATOM   313  C  C   . THR A 1 36  ? -43.828 1.265   -31.187 1.00 15.61 ? 42  THR B C   1 
ATOM   314  O  O   . THR A 1 36  ? -42.549 1.255   -30.994 1.00 14.08 ? 42  THR B O   1 
ATOM   315  C  CB  . THR A 1 36  ? -45.333 3.295   -30.700 1.00 19.09 ? 42  THR B CB  1 
ATOM   316  O  OG1 . THR A 1 36  ? -46.225 3.053   -31.769 1.00 20.06 ? 42  THR B OG1 1 
ATOM   317  C  CG2 . THR A 1 36  ? -44.225 4.213   -31.162 1.00 20.87 ? 42  THR B CG2 1 
ATOM   318  N  N   . HIS A 1 37  ? -44.332 0.807   -32.330 1.00 15.98 ? 43  HIS B N   1 
ATOM   319  C  CA  . HIS A 1 37  ? -43.509 0.348   -33.485 1.00 15.77 ? 43  HIS B CA  1 
ATOM   320  C  C   . HIS A 1 37  ? -42.562 1.456   -33.934 1.00 16.14 ? 43  HIS B C   1 
ATOM   321  O  O   . HIS A 1 37  ? -43.017 2.635   -34.103 1.00 16.38 ? 43  HIS B O   1 
ATOM   322  C  CB  . HIS A 1 37  ? -44.458 -0.158  -34.580 1.00 15.21 ? 43  HIS B CB  1 
ATOM   323  C  CG  . HIS A 1 37  ? -43.851 -0.817  -35.775 1.00 14.37 ? 43  HIS B CG  1 
ATOM   324  N  ND1 . HIS A 1 37  ? -43.038 -0.156  -36.679 1.00 14.40 ? 43  HIS B ND1 1 
ATOM   325  C  CD2 . HIS A 1 37  ? -43.928 -2.104  -36.210 1.00 14.77 ? 43  HIS B CD2 1 
ATOM   326  C  CE1 . HIS A 1 37  ? -42.690 -0.990  -37.634 1.00 14.68 ? 43  HIS B CE1 1 
ATOM   327  N  NE2 . HIS A 1 37  ? -43.219 -2.223  -37.371 1.00 15.14 ? 43  HIS B NE2 1 
ATOM   328  N  N   . GLN A 1 38  ? -41.280 1.130   -34.171 1.00 14.67 ? 44  GLN B N   1 
ATOM   329  C  CA  . GLN A 1 38  ? -40.228 2.133   -34.444 1.00 14.61 ? 44  GLN B CA  1 
ATOM   330  C  C   . GLN A 1 38  ? -40.061 2.411   -35.953 1.00 15.48 ? 44  GLN B C   1 
ATOM   331  O  O   . GLN A 1 38  ? -39.029 3.018   -36.377 1.00 16.45 ? 44  GLN B O   1 
ATOM   332  C  CB  . GLN A 1 38  ? -38.933 1.734   -33.733 1.00 14.50 ? 44  GLN B CB  1 
ATOM   333  C  CG  . GLN A 1 38  ? -39.084 1.822   -32.236 1.00 14.21 ? 44  GLN B CG  1 
ATOM   334  C  CD  . GLN A 1 38  ? -39.575 3.148   -31.715 1.00 14.85 ? 44  GLN B CD  1 
ATOM   335  O  OE1 . GLN A 1 38  ? -40.534 3.267   -30.943 1.00 19.20 ? 44  GLN B OE1 1 
ATOM   336  N  NE2 . GLN A 1 38  ? -38.936 4.213   -32.166 1.00 14.46 ? 44  GLN B NE2 1 
ATOM   337  N  N   . ASN A 1 39  ? -41.025 2.018   -36.770 1.00 14.39 ? 45  ASN B N   1 
ATOM   338  C  CA  . ASN A 1 39  ? -41.118 2.460   -38.194 1.00 13.68 ? 45  ASN B CA  1 
ATOM   339  C  C   . ASN A 1 39  ? -40.013 1.855   -39.046 1.00 15.63 ? 45  ASN B C   1 
ATOM   340  O  O   . ASN A 1 39  ? -39.580 2.469   -40.005 1.00 17.62 ? 45  ASN B O   1 
ATOM   341  C  CB  . ASN A 1 39  ? -41.180 4.002   -38.310 1.00 14.62 ? 45  ASN B CB  1 
ATOM   342  C  CG  . ASN A 1 39  ? -41.796 4.419   -39.635 1.00 14.59 ? 45  ASN B CG  1 
ATOM   343  O  OD1 . ASN A 1 39  ? -42.680 3.747   -40.152 1.00 14.38 ? 45  ASN B OD1 1 
ATOM   344  N  ND2 . ASN A 1 39  ? -41.371 5.558   -40.204 1.00 14.31 ? 45  ASN B ND2 1 
ATOM   345  N  N   . VAL A 1 40  ? -39.636 0.614   -38.743 1.00 16.71 ? 46  VAL B N   1 
ATOM   346  C  CA  . VAL A 1 40  ? -38.659 -0.192  -39.533 1.00 19.50 ? 46  VAL B CA  1 
ATOM   347  C  C   . VAL A 1 40  ? -39.412 -1.244  -40.364 1.00 18.43 ? 46  VAL B C   1 
ATOM   348  O  O   . VAL A 1 40  ? -40.480 -1.669  -39.948 1.00 17.29 ? 46  VAL B O   1 
ATOM   349  C  CB  . VAL A 1 40  ? -37.626 -0.878  -38.619 1.00 19.99 ? 46  VAL B CB  1 
ATOM   350  C  CG1 . VAL A 1 40  ? -36.692 0.107   -37.941 1.00 22.95 ? 46  VAL B CG1 1 
ATOM   351  C  CG2 . VAL A 1 40  ? -38.268 -1.776  -37.576 1.00 21.17 ? 46  VAL B CG2 1 
ATOM   352  N  N   . SER A 1 41  ? -38.860 -1.672  -41.497 1.00 19.43 ? 47  SER B N   1 
ATOM   353  C  CA  . SER A 1 41  ? -39.392 -2.824  -42.263 1.00 19.91 ? 47  SER B CA  1 
ATOM   354  C  C   . SER A 1 41  ? -39.196 -4.131  -41.490 1.00 18.61 ? 47  SER B C   1 
ATOM   355  O  O   . SER A 1 41  ? -38.278 -4.220  -40.695 1.00 17.67 ? 47  SER B O   1 
ATOM   356  C  CB  . SER A 1 41  ? -38.786 -2.923  -43.652 1.00 23.32 ? 47  SER B CB  1 
ATOM   357  O  OG  . SER A 1 41  ? -37.378 -3.023  -43.552 1.00 24.20 ? 47  SER B OG  1 
ATOM   358  N  N   . ASP A 1 42  ? -40.056 -5.112  -41.711 1.00 18.04 ? 48  ASP B N   1 
ATOM   359  C  CA  . ASP A 1 42  ? -39.896 -6.476  -41.157 1.00 17.48 ? 48  ASP B CA  1 
ATOM   360  C  C   . ASP A 1 42  ? -38.818 -7.191  -41.967 1.00 18.10 ? 48  ASP B C   1 
ATOM   361  O  O   . ASP A 1 42  ? -38.580 -6.841  -43.143 1.00 19.33 ? 48  ASP B O   1 
ATOM   362  C  CB  . ASP A 1 42  ? -41.202 -7.272  -41.086 1.00 19.23 ? 48  ASP B CB  1 
ATOM   363  C  CG  . ASP A 1 42  ? -41.273 -8.282  -39.932 1.00 23.02 ? 48  ASP B CG  1 
ATOM   364  O  OD1 . ASP A 1 42  ? -40.260 -8.444  -39.212 1.00 17.83 ? 48  ASP B OD1 1 
ATOM   365  O  OD2 . ASP A 1 42  ? -42.396 -8.822  -39.630 1.00 26.32 ? 48  ASP B OD2 1 
ATOM   366  N  N   . ASN A 1 43  ? -38.221 -8.221  -41.368 1.00 18.05 ? 49  ASN B N   1 
ATOM   367  C  CA  . ASN A 1 43  ? -37.207 -9.082  -42.032 1.00 18.62 ? 49  ASN B CA  1 
ATOM   368  C  C   . ASN A 1 43  ? -37.156 -10.405 -41.269 1.00 18.89 ? 49  ASN B C   1 
ATOM   369  O  O   . ASN A 1 43  ? -37.804 -10.531 -40.176 1.00 20.22 ? 49  ASN B O   1 
ATOM   370  C  CB  . ASN A 1 43  ? -35.868 -8.389  -42.196 1.00 17.74 ? 49  ASN B CB  1 
ATOM   371  C  CG  . ASN A 1 43  ? -35.150 -8.198  -40.875 1.00 18.29 ? 49  ASN B CG  1 
ATOM   372  O  OD1 . ASN A 1 43  ? -35.015 -9.158  -40.128 1.00 21.14 ? 49  ASN B OD1 1 
ATOM   373  N  ND2 . ASN A 1 43  ? -34.740 -7.000  -40.580 1.00 18.40 ? 49  ASN B ND2 1 
ATOM   374  N  N   . LYS A 1 44  ? -36.508 -11.400 -41.836 1.00 19.12 ? 50  LYS B N   1 
ATOM   375  C  CA  . LYS A 1 44  ? -36.534 -12.762 -41.260 1.00 20.76 ? 50  LYS B CA  1 
ATOM   376  C  C   . LYS A 1 44  ? -35.655 -12.821 -39.991 1.00 18.88 ? 50  LYS B C   1 
ATOM   377  O  O   . LYS A 1 44  ? -35.845 -13.806 -39.227 1.00 18.80 ? 50  LYS B O   1 
ATOM   378  C  CB  . LYS A 1 44  ? -36.022 -13.780 -42.293 1.00 24.31 ? 50  LYS B CB  1 
ATOM   379  C  CG  . LYS A 1 44  ? -34.587 -13.549 -42.694 1.00 30.37 ? 50  LYS B CG  1 
ATOM   380  C  CD  . LYS A 1 44  ? -34.112 -14.276 -43.944 1.00 40.33 ? 50  LYS B CD  1 
ATOM   381  C  CE  . LYS A 1 44  ? -32.603 -14.166 -44.058 1.00 45.42 ? 50  LYS B CE  1 
ATOM   382  N  NZ  . LYS A 1 44  ? -32.080 -14.940 -45.209 1.00 52.68 ? 50  LYS B NZ  1 
ATOM   383  N  N   . GLU A 1 45  ? -34.742 -11.865 -39.795 1.00 17.78 ? 51  GLU B N   1 
ATOM   384  C  CA  . GLU A 1 45  ? -33.845 -11.858 -38.593 1.00 18.74 ? 51  GLU B CA  1 
ATOM   385  C  C   . GLU A 1 45  ? -34.577 -11.356 -37.332 1.00 17.69 ? 51  GLU B C   1 
ATOM   386  O  O   . GLU A 1 45  ? -34.144 -11.685 -36.204 1.00 18.16 ? 51  GLU B O   1 
ATOM   387  C  CB  . GLU A 1 45  ? -32.634 -10.982 -38.844 1.00 21.88 ? 51  GLU B CB  1 
ATOM   388  C  CG  . GLU A 1 45  ? -31.710 -11.440 -39.954 1.00 26.68 ? 51  GLU B CG  1 
ATOM   389  C  CD  . GLU A 1 45  ? -30.559 -10.444 -40.102 1.00 32.39 ? 51  GLU B CD  1 
ATOM   390  O  OE1 . GLU A 1 45  ? -30.594 -9.641  -41.072 1.00 40.54 ? 51  GLU B OE1 1 
ATOM   391  O  OE2 . GLU A 1 45  ? -29.670 -10.386 -39.219 1.00 38.87 ? 51  GLU B OE2 1 
ATOM   392  N  N   . ARG A 1 46  ? -35.595 -10.493 -37.451 1.00 15.83 ? 52  ARG B N   1 
ATOM   393  C  CA  . ARG A 1 46  ? -36.122 -9.792  -36.249 1.00 15.61 ? 52  ARG B CA  1 
ATOM   394  C  C   . ARG A 1 46  ? -36.834 -10.733 -35.289 1.00 14.61 ? 52  ARG B C   1 
ATOM   395  O  O   . ARG A 1 46  ? -37.721 -11.536 -35.668 1.00 16.17 ? 52  ARG B O   1 
ATOM   396  C  CB  . ARG A 1 46  ? -37.120 -8.687  -36.634 1.00 15.21 ? 52  ARG B CB  1 
ATOM   397  C  CG  . ARG A 1 46  ? -36.536 -7.530  -37.395 1.00 15.55 ? 52  ARG B CG  1 
ATOM   398  C  CD  . ARG A 1 46  ? -37.480 -6.313  -37.363 1.00 14.86 ? 52  ARG B CD  1 
ATOM   399  N  NE  . ARG A 1 46  ? -36.957 -5.317  -38.257 1.00 16.05 ? 52  ARG B NE  1 
ATOM   400  C  CZ  . ARG A 1 46  ? -35.858 -4.601  -38.031 1.00 14.65 ? 52  ARG B CZ  1 
ATOM   401  N  NH1 . ARG A 1 46  ? -35.249 -4.621  -36.852 1.00 13.91 ? 52  ARG B NH1 1 
ATOM   402  N  NH2 . ARG A 1 46  ? -35.396 -3.793  -38.977 1.00 18.17 ? 52  ARG B NH2 1 
ATOM   403  N  N   . PHE A 1 47  ? -36.540 -10.644 -33.989 1.00 13.66 ? 53  PHE B N   1 
ATOM   404  C  CA  . PHE A 1 47  ? -37.354 -11.340 -32.982 1.00 13.28 ? 53  PHE B CA  1 
ATOM   405  C  C   . PHE A 1 47  ? -38.781 -10.733 -32.973 1.00 14.86 ? 53  PHE B C   1 
ATOM   406  O  O   . PHE A 1 47  ? -38.928 -9.518  -32.749 1.00 15.45 ? 53  PHE B O   1 
ATOM   407  C  CB  . PHE A 1 47  ? -36.745 -11.269 -31.588 1.00 13.17 ? 53  PHE B CB  1 
ATOM   408  C  CG  . PHE A 1 47  ? -35.492 -12.109 -31.442 1.00 11.97 ? 53  PHE B CG  1 
ATOM   409  C  CD1 . PHE A 1 47  ? -35.593 -13.473 -31.246 1.00 12.54 ? 53  PHE B CD1 1 
ATOM   410  C  CD2 . PHE A 1 47  ? -34.227 -11.549 -31.519 1.00 13.22 ? 53  PHE B CD2 1 
ATOM   411  C  CE1 . PHE A 1 47  ? -34.475 -14.274 -31.118 1.00 13.77 ? 53  PHE B CE1 1 
ATOM   412  C  CE2 . PHE A 1 47  ? -33.106 -12.354 -31.343 1.00 13.57 ? 53  PHE B CE2 1 
ATOM   413  C  CZ  . PHE A 1 47  ? -33.231 -13.723 -31.170 1.00 12.22 ? 53  PHE B CZ  1 
ATOM   414  N  N   . SER A 1 48  ? -39.806 -11.527 -33.254 1.00 16.77 ? 54  SER B N   1 
ATOM   415  C  CA  . SER A 1 48  ? -41.188 -11.015 -33.440 1.00 17.52 ? 54  SER B CA  1 
ATOM   416  C  C   . SER A 1 48  ? -41.931 -10.926 -32.118 1.00 17.60 ? 54  SER B C   1 
ATOM   417  O  O   . SER A 1 48  ? -42.680 -9.948  -31.941 1.00 20.44 ? 54  SER B O   1 
ATOM   418  C  CB  . SER A 1 48  ? -41.955 -11.871 -34.413 1.00 18.20 ? 54  SER B CB  1 
ATOM   419  O  OG  . SER A 1 48  ? -42.032 -13.217 -34.010 1.00 17.05 ? 54  SER B OG  1 
ATOM   420  N  N   . ASN A 1 49  ? -41.786 -11.869 -31.217 1.00 15.48 ? 55  ASN B N   1 
ATOM   421  C  CA  . ASN A 1 49  ? -42.715 -12.039 -30.068 1.00 16.70 ? 55  ASN B CA  1 
ATOM   422  C  C   . ASN A 1 49  ? -42.228 -11.316 -28.814 1.00 15.06 ? 55  ASN B C   1 
ATOM   423  O  O   . ASN A 1 49  ? -43.013 -11.133 -27.881 1.00 17.71 ? 55  ASN B O   1 
ATOM   424  C  CB  . ASN A 1 49  ? -42.980 -13.503 -29.735 1.00 17.97 ? 55  ASN B CB  1 
ATOM   425  C  CG  . ASN A 1 49  ? -43.912 -14.170 -30.744 1.00 21.36 ? 55  ASN B CG  1 
ATOM   426  O  OD1 . ASN A 1 49  ? -43.721 -14.057 -31.947 1.00 22.56 ? 55  ASN B OD1 1 
ATOM   427  N  ND2 . ASN A 1 49  ? -44.917 -14.877 -30.248 1.00 25.79 ? 55  ASN B ND2 1 
ATOM   428  N  N   . TYR A 1 50  ? -40.923 -11.029 -28.720 1.00 12.98 ? 56  TYR B N   1 
ATOM   429  C  CA  . TYR A 1 50  ? -40.342 -10.574 -27.432 1.00 13.63 ? 56  TYR B CA  1 
ATOM   430  C  C   . TYR A 1 50  ? -39.353 -9.446  -27.724 1.00 13.09 ? 56  TYR B C   1 
ATOM   431  O  O   . TYR A 1 50  ? -38.843 -9.325  -28.848 1.00 13.25 ? 56  TYR B O   1 
ATOM   432  C  CB  . TYR A 1 50  ? -39.544 -11.704 -26.769 1.00 13.41 ? 56  TYR B CB  1 
ATOM   433  C  CG  . TYR A 1 50  ? -40.240 -13.040 -26.680 1.00 15.45 ? 56  TYR B CG  1 
ATOM   434  C  CD1 . TYR A 1 50  ? -41.292 -13.220 -25.790 1.00 17.52 ? 56  TYR B CD1 1 
ATOM   435  C  CD2 . TYR A 1 50  ? -39.897 -14.108 -27.499 1.00 15.79 ? 56  TYR B CD2 1 
ATOM   436  C  CE1 . TYR A 1 50  ? -41.967 -14.438 -25.695 1.00 19.15 ? 56  TYR B CE1 1 
ATOM   437  C  CE2 . TYR A 1 50  ? -40.600 -15.305 -27.462 1.00 17.11 ? 56  TYR B CE2 1 
ATOM   438  C  CZ  . TYR A 1 50  ? -41.607 -15.488 -26.523 1.00 18.07 ? 56  TYR B CZ  1 
ATOM   439  O  OH  . TYR A 1 50  ? -42.261 -16.692 -26.439 1.00 18.30 ? 56  TYR B OH  1 
ATOM   440  N  N   . PRO A 1 51  ? -39.064 -8.569  -26.733 1.00 12.32 ? 57  PRO B N   1 
ATOM   441  C  CA  . PRO A 1 51  ? -38.202 -7.403  -26.974 1.00 12.61 ? 57  PRO B CA  1 
ATOM   442  C  C   . PRO A 1 51  ? -36.695 -7.691  -26.994 1.00 12.11 ? 57  PRO B C   1 
ATOM   443  O  O   . PRO A 1 51  ? -35.944 -7.196  -26.186 1.00 12.24 ? 57  PRO B O   1 
ATOM   444  C  CB  . PRO A 1 51  ? -38.589 -6.420  -25.822 1.00 13.19 ? 57  PRO B CB  1 
ATOM   445  C  CG  . PRO A 1 51  ? -39.861 -7.019  -25.214 1.00 13.25 ? 57  PRO B CG  1 
ATOM   446  C  CD  . PRO A 1 51  ? -39.729 -8.494  -25.429 1.00 12.41 ? 57  PRO B CD  1 
ATOM   447  N  N   . MET A 1 52  ? -36.309 -8.598  -27.926 1.00 11.96 ? 58  MET B N   1 
ATOM   448  C  CA  . MET A 1 52  ? -34.954 -9.179  -28.000 1.00 11.01 ? 58  MET B CA  1 
ATOM   449  C  C   . MET A 1 52  ? -34.155 -8.582  -29.148 1.00 11.43 ? 58  MET B C   1 
ATOM   450  O  O   . MET A 1 52  ? -34.677 -8.087  -30.177 1.00 11.75 ? 58  MET B O   1 
ATOM   451  C  CB  . MET A 1 52  ? -35.056 -10.702 -28.176 1.00 11.34 ? 58  MET B CB  1 
ATOM   452  C  CG  . MET A 1 52  ? -35.669 -11.375 -26.987 1.00 11.25 ? 58  MET B CG  1 
ATOM   453  S  SD  . MET A 1 52  ? -36.125 -13.107 -27.392 1.00 13.31 ? 58  MET B SD  1 
ATOM   454  C  CE  . MET A 1 52  ? -36.684 -13.731 -25.817 1.00 14.09 ? 58  MET B CE  1 
ATOM   455  N  N   . VAL A 1 53  ? -32.833 -8.625  -28.988 1.00 11.00 ? 59  VAL B N   1 
ATOM   456  C  CA  . VAL A 1 53  ? -31.842 -8.190  -30.005 1.00 10.86 ? 59  VAL B CA  1 
ATOM   457  C  C   . VAL A 1 53  ? -30.535 -8.981  -29.800 1.00 11.68 ? 59  VAL B C   1 
ATOM   458  O  O   . VAL A 1 53  ? -30.253 -9.370  -28.635 1.00 11.57 ? 59  VAL B O   1 
ATOM   459  C  CB  . VAL A 1 53  ? -31.672 -6.657  -29.970 1.00 11.40 ? 59  VAL B CB  1 
ATOM   460  C  CG1 . VAL A 1 53  ? -31.162 -6.190  -28.630 1.00 12.06 ? 59  VAL B CG1 1 
ATOM   461  C  CG2 . VAL A 1 53  ? -30.808 -6.110  -31.102 1.00 11.77 ? 59  VAL B CG2 1 
ATOM   462  N  N   . LEU A 1 54  ? -29.769 -9.142  -30.857 1.00 12.32 ? 60  LEU B N   1 
ATOM   463  C  CA  . LEU A 1 54  ? -28.433 -9.787  -30.806 1.00 11.82 ? 60  LEU B CA  1 
ATOM   464  C  C   . LEU A 1 54  ? -27.322 -8.759  -30.929 1.00 12.49 ? 60  LEU B C   1 
ATOM   465  O  O   . LEU A 1 54  ? -27.466 -7.677  -31.617 1.00 12.73 ? 60  LEU B O   1 
ATOM   466  C  CB  . LEU A 1 54  ? -28.277 -10.828 -31.917 1.00 12.66 ? 60  LEU B CB  1 
ATOM   467  C  CG  . LEU A 1 54  ? -29.353 -11.904 -31.952 1.00 12.58 ? 60  LEU B CG  1 
ATOM   468  C  CD1 . LEU A 1 54  ? -29.052 -13.002 -32.964 1.00 14.68 ? 60  LEU B CD1 1 
ATOM   469  C  CD2 . LEU A 1 54  ? -29.546 -12.542 -30.582 1.00 12.59 ? 60  LEU B CD2 1 
ATOM   470  N  N   . GLY A 1 55  ? -26.187 -9.075  -30.342 1.00 12.39 ? 61  GLY B N   1 
ATOM   471  C  CA  . GLY A 1 55  ? -24.929 -8.403  -30.723 1.00 12.33 ? 61  GLY B CA  1 
ATOM   472  C  C   . GLY A 1 55  ? -24.569 -8.720  -32.167 1.00 12.36 ? 61  GLY B C   1 
ATOM   473  O  O   . GLY A 1 55  ? -24.849 -9.831  -32.623 1.00 13.33 ? 61  GLY B O   1 
ATOM   474  N  N   . ALA A 1 56  ? -23.767 -7.862  -32.757 1.00 14.03 ? 62  ALA B N   1 
ATOM   475  C  CA  . ALA A 1 56  ? -23.296 -8.019  -34.152 1.00 15.87 ? 62  ALA B CA  1 
ATOM   476  C  C   . ALA A 1 56  ? -22.167 -9.074  -34.198 1.00 17.51 ? 62  ALA B C   1 
ATOM   477  O  O   . ALA A 1 56  ? -21.993 -9.768  -35.238 1.00 20.54 ? 62  ALA B O   1 
ATOM   478  C  CB  . ALA A 1 56  ? -22.859 -6.660  -34.609 1.00 16.82 ? 62  ALA B CB  1 
ATOM   479  N  N   . GLN A 1 57  ? -21.425 -9.183  -33.100 1.00 17.18 ? 63  GLN B N   1 
ATOM   480  C  CA  . GLN A 1 57  ? -20.208 -10.041 -33.056 1.00 16.80 ? 63  GLN B CA  1 
ATOM   481  C  C   . GLN A 1 57  ? -20.637 -11.507 -33.079 1.00 17.79 ? 63  GLN B C   1 
ATOM   482  O  O   . GLN A 1 57  ? -21.664 -11.887 -32.453 1.00 17.77 ? 63  GLN B O   1 
ATOM   483  C  CB  . GLN A 1 57  ? -19.352 -9.683  -31.824 1.00 18.90 ? 63  GLN B CB  1 
ATOM   484  C  CG  . GLN A 1 57  ? -18.648 -8.332  -31.913 1.00 20.41 ? 63  GLN B CG  1 
ATOM   485  C  CD  . GLN A 1 57  ? -19.602 -7.159  -31.797 1.00 20.50 ? 63  GLN B CD  1 
ATOM   486  O  OE1 . GLN A 1 57  ? -20.568 -7.222  -31.044 1.00 17.92 ? 63  GLN B OE1 1 
ATOM   487  N  NE2 . GLN A 1 57  ? -19.370 -6.090  -32.537 1.00 22.55 ? 63  GLN B NE2 1 
ATOM   488  N  N   . ARG A 1 58  ? -19.890 -12.336 -33.807 1.00 17.78 ? 64  ARG B N   1 
ATOM   489  C  CA  . ARG A 1 58  ? -20.040 -13.800 -33.806 1.00 17.45 ? 64  ARG B CA  1 
ATOM   490  C  C   . ARG A 1 58  ? -18.771 -14.440 -33.260 1.00 15.28 ? 64  ARG B C   1 
ATOM   491  O  O   . ARG A 1 58  ? -17.679 -14.017 -33.634 1.00 17.53 ? 64  ARG B O   1 
ATOM   492  C  CB  . ARG A 1 58  ? -20.183 -14.367 -35.224 1.00 22.25 ? 64  ARG B CB  1 
ATOM   493  C  CG  . ARG A 1 58  ? -21.549 -14.186 -35.887 1.00 31.12 ? 64  ARG B CG  1 
ATOM   494  C  CD  . ARG A 1 58  ? -22.044 -12.758 -35.841 1.00 33.41 ? 64  ARG B CD  1 
ATOM   495  N  NE  . ARG A 1 58  ? -22.985 -12.146 -36.791 1.00 39.15 ? 64  ARG B NE  1 
ATOM   496  C  CZ  . ARG A 1 58  ? -23.666 -12.716 -37.788 1.00 39.35 ? 64  ARG B CZ  1 
ATOM   497  N  NH1 . ARG A 1 58  ? -24.462 -11.952 -38.521 1.00 42.76 ? 64  ARG B NH1 1 
ATOM   498  N  NH2 . ARG A 1 58  ? -23.583 -13.999 -38.068 1.00 39.86 ? 64  ARG B NH2 1 
ATOM   499  N  N   . PHE A 1 59  ? -18.896 -15.403 -32.368 1.00 16.22 ? 65  PHE B N   1 
ATOM   500  C  CA  . PHE A 1 59  ? -17.735 -16.059 -31.699 1.00 15.36 ? 65  PHE B CA  1 
ATOM   501  C  C   . PHE A 1 59  ? -17.788 -17.570 -31.977 1.00 14.19 ? 65  PHE B C   1 
ATOM   502  O  O   . PHE A 1 59  ? -18.825 -18.204 -31.740 1.00 14.19 ? 65  PHE B O   1 
ATOM   503  C  CB  . PHE A 1 59  ? -17.819 -15.793 -30.174 1.00 17.19 ? 65  PHE B CB  1 
ATOM   504  C  CG  . PHE A 1 59  ? -17.822 -14.317 -29.818 1.00 17.95 ? 65  PHE B CG  1 
ATOM   505  C  CD1 . PHE A 1 59  ? -16.793 -13.501 -30.267 1.00 21.59 ? 65  PHE B CD1 1 
ATOM   506  C  CD2 . PHE A 1 59  ? -18.794 -13.766 -29.033 1.00 25.08 ? 65  PHE B CD2 1 
ATOM   507  C  CE1 . PHE A 1 59  ? -16.756 -12.143 -29.984 1.00 23.88 ? 65  PHE B CE1 1 
ATOM   508  C  CE2 . PHE A 1 59  ? -18.744 -12.411 -28.720 1.00 21.04 ? 65  PHE B CE2 1 
ATOM   509  C  CZ  . PHE A 1 59  ? -17.753 -11.616 -29.222 1.00 22.17 ? 65  PHE B CZ  1 
ATOM   510  N  N   A SER A 1 60  ? -16.677 -18.156 -32.436 0.25 14.23 ? 66  SER B N   1 
ATOM   511  N  N   B SER A 1 60  ? -16.692 -18.153 -32.474 0.25 14.22 ? 66  SER B N   1 
ATOM   512  C  CA  A SER A 1 60  ? -16.580 -19.606 -32.753 0.25 14.81 ? 66  SER B CA  1 
ATOM   513  C  CA  B SER A 1 60  ? -16.581 -19.609 -32.766 0.25 14.89 ? 66  SER B CA  1 
ATOM   514  C  C   A SER A 1 60  ? -15.362 -20.244 -32.059 0.25 14.76 ? 66  SER B C   1 
ATOM   515  C  C   B SER A 1 60  ? -15.313 -20.196 -32.142 0.25 15.51 ? 66  SER B C   1 
ATOM   516  O  O   A SER A 1 60  ? -15.207 -21.484 -32.134 0.25 13.96 ? 66  SER B O   1 
ATOM   517  O  O   B SER A 1 60  ? -14.894 -21.285 -32.569 0.25 15.08 ? 66  SER B O   1 
ATOM   518  C  CB  A SER A 1 60  ? -16.594 -19.800 -34.256 0.25 15.25 ? 66  SER B CB  1 
ATOM   519  C  CB  B SER A 1 60  ? -16.580 -19.851 -34.243 0.25 14.81 ? 66  SER B CB  1 
ATOM   520  O  OG  A SER A 1 60  ? -17.926 -19.621 -34.765 0.25 17.05 ? 66  SER B OG  1 
ATOM   521  O  OG  B SER A 1 60  ? -15.504 -19.167 -34.843 0.25 15.27 ? 66  SER B OG  1 
ATOM   522  N  N   A SER A 1 61  ? -14.574 -19.446 -31.330 0.25 14.24 ? 67  SER B N   1 
ATOM   523  N  N   B SER A 1 61  ? -14.723 -19.501 -31.171 0.25 15.84 ? 67  SER B N   1 
ATOM   524  C  CA  A SER A 1 61  ? -13.389 -19.914 -30.573 0.25 15.02 ? 67  SER B CA  1 
ATOM   525  C  CA  B SER A 1 61  ? -13.440 -19.903 -30.561 0.25 17.17 ? 67  SER B CA  1 
ATOM   526  C  C   A SER A 1 61  ? -13.097 -18.941 -29.434 0.25 15.50 ? 67  SER B C   1 
ATOM   527  C  C   B SER A 1 61  ? -13.014 -18.889 -29.501 0.25 16.68 ? 67  SER B C   1 
ATOM   528  O  O   A SER A 1 61  ? -13.704 -17.867 -29.413 0.25 15.35 ? 67  SER B O   1 
ATOM   529  O  O   B SER A 1 61  ? -13.418 -17.713 -29.621 0.25 15.37 ? 67  SER B O   1 
ATOM   530  C  CB  A SER A 1 61  ? -12.187 -20.042 -31.486 0.25 15.02 ? 67  SER B CB  1 
ATOM   531  C  CB  B SER A 1 61  ? -12.402 -20.032 -31.646 0.25 18.85 ? 67  SER B CB  1 
ATOM   532  O  OG  A SER A 1 61  ? -11.796 -18.766 -31.967 0.25 13.75 ? 67  SER B OG  1 
ATOM   533  O  OG  B SER A 1 61  ? -11.163 -20.404 -31.084 0.25 20.60 ? 67  SER B OG  1 
ATOM   534  N  N   . GLY A 1 62  ? -12.170 -19.306 -28.553 1.00 17.35 ? 68  GLY B N   1 
ATOM   535  C  CA  . GLY A 1 62  ? -11.550 -18.354 -27.621 1.00 18.75 ? 68  GLY B CA  1 
ATOM   536  C  C   . GLY A 1 62  ? -12.374 -18.063 -26.380 1.00 15.82 ? 68  GLY B C   1 
ATOM   537  O  O   . GLY A 1 62  ? -13.426 -18.704 -26.136 1.00 16.14 ? 68  GLY B O   1 
ATOM   538  N  N   . LYS A 1 63  ? -11.891 -17.060 -25.673 1.00 15.77 ? 69  LYS B N   1 
ATOM   539  C  CA  . LYS A 1 63  ? -12.473 -16.589 -24.424 1.00 15.24 ? 69  LYS B CA  1 
ATOM   540  C  C   . LYS A 1 63  ? -12.896 -15.136 -24.652 1.00 14.52 ? 69  LYS B C   1 
ATOM   541  O  O   . LYS A 1 63  ? -12.098 -14.319 -25.131 1.00 16.31 ? 69  LYS B O   1 
ATOM   542  C  CB  . LYS A 1 63  ? -11.444 -16.722 -23.312 1.00 16.50 ? 69  LYS B CB  1 
ATOM   543  C  CG  . LYS A 1 63  ? -11.065 -18.154 -22.958 1.00 16.27 ? 69  LYS B CG  1 
ATOM   544  C  CD  . LYS A 1 63  ? -9.880  -18.226 -21.950 1.00 20.39 ? 69  LYS B CD  1 
ATOM   545  C  CE  . LYS A 1 63  ? -9.557  -19.647 -21.545 1.00 22.41 ? 69  LYS B CE  1 
ATOM   546  N  NZ  . LYS A 1 63  ? -8.537  -19.674 -20.465 1.00 26.33 ? 69  LYS B NZ  1 
ATOM   547  N  N   . MET A 1 64  ? -14.113 -14.806 -24.233 1.00 13.72 ? 70  MET B N   1 
ATOM   548  C  CA  . MET A 1 64  ? -14.729 -13.480 -24.443 1.00 13.27 ? 70  MET B CA  1 
ATOM   549  C  C   . MET A 1 64  ? -15.398 -13.038 -23.140 1.00 13.53 ? 70  MET B C   1 
ATOM   550  O  O   . MET A 1 64  ? -15.958 -13.866 -22.433 1.00 14.50 ? 70  MET B O   1 
ATOM   551  C  CB  . MET A 1 64  ? -15.844 -13.589 -25.477 1.00 14.19 ? 70  MET B CB  1 
ATOM   552  C  CG  . MET A 1 64  ? -15.387 -13.725 -26.924 1.00 14.96 ? 70  MET B CG  1 
ATOM   553  S  SD  . MET A 1 64  ? -14.642 -15.298 -27.437 1.00 17.50 ? 70  MET B SD  1 
ATOM   554  C  CE  . MET A 1 64  ? -15.911 -16.467 -27.000 1.00 17.33 ? 70  MET B CE  1 
ATOM   555  N  N   . TYR A 1 65  ? -15.358 -11.750 -22.855 1.00 13.64 ? 71  TYR B N   1 
ATOM   556  C  CA  . TYR A 1 65  ? -15.941 -11.172 -21.623 1.00 13.86 ? 71  TYR B CA  1 
ATOM   557  C  C   . TYR A 1 65  ? -16.541 -9.818  -21.972 1.00 14.44 ? 71  TYR B C   1 
ATOM   558  O  O   . TYR A 1 65  ? -15.931 -9.009  -22.717 1.00 14.77 ? 71  TYR B O   1 
ATOM   559  C  CB  . TYR A 1 65  ? -14.888 -11.003 -20.521 1.00 14.64 ? 71  TYR B CB  1 
ATOM   560  C  CG  . TYR A 1 65  ? -15.385 -10.384 -19.243 1.00 14.65 ? 71  TYR B CG  1 
ATOM   561  C  CD1 . TYR A 1 65  ? -16.109 -11.145 -18.357 1.00 14.32 ? 71  TYR B CD1 1 
ATOM   562  C  CD2 . TYR A 1 65  ? -15.252 -9.020  -18.995 1.00 14.68 ? 71  TYR B CD2 1 
ATOM   563  C  CE1 . TYR A 1 65  ? -16.610 -10.607 -17.172 1.00 15.45 ? 71  TYR B CE1 1 
ATOM   564  C  CE2 . TYR A 1 65  ? -15.743 -8.463  -17.819 1.00 13.98 ? 71  TYR B CE2 1 
ATOM   565  C  CZ  . TYR A 1 65  ? -16.463 -9.240  -16.935 1.00 14.14 ? 71  TYR B CZ  1 
ATOM   566  O  OH  . TYR A 1 65  ? -16.951 -8.708  -15.766 1.00 17.39 ? 71  TYR B OH  1 
ATOM   567  N  N   . TRP A 1 66  ? -17.763 -9.581  -21.511 1.00 12.13 ? 72  TRP B N   1 
ATOM   568  C  CA  . TRP A 1 66  ? -18.348 -8.224  -21.614 1.00 12.10 ? 72  TRP B CA  1 
ATOM   569  C  C   . TRP A 1 66  ? -19.246 -7.942  -20.393 1.00 12.78 ? 72  TRP B C   1 
ATOM   570  O  O   . TRP A 1 66  ? -19.577 -8.883  -19.633 1.00 13.20 ? 72  TRP B O   1 
ATOM   571  C  CB  . TRP A 1 66  ? -19.078 -8.034  -22.957 1.00 11.85 ? 72  TRP B CB  1 
ATOM   572  C  CG  . TRP A 1 66  ? -20.272 -8.899  -23.204 1.00 12.17 ? 72  TRP B CG  1 
ATOM   573  C  CD1 . TRP A 1 66  ? -21.598 -8.607  -22.971 1.00 13.30 ? 72  TRP B CD1 1 
ATOM   574  C  CD2 . TRP A 1 66  ? -20.270 -10.219 -23.749 1.00 12.51 ? 72  TRP B CD2 1 
ATOM   575  N  NE1 . TRP A 1 66  ? -22.390 -9.644  -23.391 1.00 12.96 ? 72  TRP B NE1 1 
ATOM   576  C  CE2 . TRP A 1 66  ? -21.600 -10.666 -23.839 1.00 12.50 ? 72  TRP B CE2 1 
ATOM   577  C  CE3 . TRP A 1 66  ? -19.245 -11.077 -24.165 1.00 14.83 ? 72  TRP B CE3 1 
ATOM   578  C  CZ2 . TRP A 1 66  ? -21.941 -11.899 -24.370 1.00 13.78 ? 72  TRP B CZ2 1 
ATOM   579  C  CZ3 . TRP A 1 66  ? -19.578 -12.305 -24.698 1.00 16.68 ? 72  TRP B CZ3 1 
ATOM   580  C  CH2 . TRP A 1 66  ? -20.905 -12.730 -24.749 1.00 15.18 ? 72  TRP B CH2 1 
ATOM   581  N  N   . GLU A 1 67  ? -19.680 -6.688  -20.236 1.00 12.94 ? 73  GLU B N   1 
ATOM   582  C  CA  . GLU A 1 67  ? -20.483 -6.259  -19.057 1.00 13.21 ? 73  GLU B CA  1 
ATOM   583  C  C   . GLU A 1 67  ? -21.700 -5.475  -19.514 1.00 13.14 ? 73  GLU B C   1 
ATOM   584  O  O   . GLU A 1 67  ? -21.600 -4.785  -20.527 1.00 13.08 ? 73  GLU B O   1 
ATOM   585  C  CB  . GLU A 1 67  ? -19.672 -5.399  -18.089 1.00 14.93 ? 73  GLU B CB  1 
ATOM   586  C  CG  . GLU A 1 67  ? -18.607 -6.239  -17.369 1.00 17.08 ? 73  GLU B CG  1 
ATOM   587  C  CD  . GLU A 1 67  ? -17.723 -5.490  -16.401 1.00 21.38 ? 73  GLU B CD  1 
ATOM   588  O  OE1 . GLU A 1 67  ? -17.913 -4.238  -16.295 1.00 23.73 ? 73  GLU B OE1 1 
ATOM   589  O  OE2 . GLU A 1 67  ? -16.891 -6.153  -15.702 1.00 18.93 ? 73  GLU B OE2 1 
ATOM   590  N  N   . VAL A 1 68  ? -22.828 -5.709  -18.854 1.00 13.12 ? 74  VAL B N   1 
ATOM   591  C  CA  . VAL A 1 68  ? -24.108 -5.061  -19.192 1.00 12.98 ? 74  VAL B CA  1 
ATOM   592  C  C   . VAL A 1 68  ? -24.666 -4.374  -17.955 1.00 12.08 ? 74  VAL B C   1 
ATOM   593  O  O   . VAL A 1 68  ? -24.736 -5.003  -16.881 1.00 12.95 ? 74  VAL B O   1 
ATOM   594  C  CB  . VAL A 1 68  ? -25.114 -6.074  -19.743 1.00 12.63 ? 74  VAL B CB  1 
ATOM   595  C  CG1 . VAL A 1 68  ? -26.351 -5.349  -20.171 1.00 13.16 ? 74  VAL B CG1 1 
ATOM   596  C  CG2 . VAL A 1 68  ? -24.527 -6.946  -20.849 1.00 12.95 ? 74  VAL B CG2 1 
ATOM   597  N  N   . ASP A 1 69  ? -25.134 -3.136  -18.110 1.00 11.95 ? 75  ASP B N   1 
ATOM   598  C  CA  . ASP A 1 69  ? -25.799 -2.345  -17.044 1.00 13.41 ? 75  ASP B CA  1 
ATOM   599  C  C   . ASP A 1 69  ? -27.291 -2.624  -17.084 1.00 12.23 ? 75  ASP B C   1 
ATOM   600  O  O   . ASP A 1 69  ? -27.899 -2.564  -18.225 1.00 12.92 ? 75  ASP B O   1 
ATOM   601  C  CB  . ASP A 1 69  ? -25.506 -0.845  -17.207 1.00 15.31 ? 75  ASP B CB  1 
ATOM   602  C  CG  . ASP A 1 69  ? -25.871 -0.040  -15.956 1.00 18.68 ? 75  ASP B CG  1 
ATOM   603  O  OD1 . ASP A 1 69  ? -27.011 -0.047  -15.589 1.00 17.03 ? 75  ASP B OD1 1 
ATOM   604  O  OD2 . ASP A 1 69  ? -24.965 0.419   -15.257 1.00 23.53 ? 75  ASP B OD2 1 
ATOM   605  N  N   . VAL A 1 70  ? -27.854 -3.037  -15.947 1.00 12.29 ? 76  VAL B N   1 
ATOM   606  C  CA  . VAL A 1 70  ? -29.288 -3.391  -15.773 1.00 12.71 ? 76  VAL B CA  1 
ATOM   607  C  C   . VAL A 1 70  ? -29.951 -2.478  -14.723 1.00 13.88 ? 76  VAL B C   1 
ATOM   608  O  O   . VAL A 1 70  ? -31.040 -2.812  -14.245 1.00 13.74 ? 76  VAL B O   1 
ATOM   609  C  CB  . VAL A 1 70  ? -29.440 -4.899  -15.447 1.00 13.83 ? 76  VAL B CB  1 
ATOM   610  C  CG1 . VAL A 1 70  ? -28.855 -5.783  -16.551 1.00 13.66 ? 76  VAL B CG1 1 
ATOM   611  C  CG2 . VAL A 1 70  ? -28.855 -5.276  -14.094 1.00 13.64 ? 76  VAL B CG2 1 
ATOM   612  N  N   . THR A 1 71  ? -29.330 -1.359  -14.371 1.00 13.84 ? 77  THR B N   1 
ATOM   613  C  CA  . THR A 1 71  ? -29.844 -0.435  -13.346 1.00 14.89 ? 77  THR B CA  1 
ATOM   614  C  C   . THR A 1 71  ? -31.335 -0.120  -13.562 1.00 14.88 ? 77  THR B C   1 
ATOM   615  O  O   . THR A 1 71  ? -31.762 0.228   -14.688 1.00 14.51 ? 77  THR B O   1 
ATOM   616  C  CB  . THR A 1 71  ? -29.043 0.861   -13.347 1.00 15.85 ? 77  THR B CB  1 
ATOM   617  O  OG1 . THR A 1 71  ? -27.670 0.570   -13.034 1.00 18.15 ? 77  THR B OG1 1 
ATOM   618  C  CG2 . THR A 1 71  ? -29.659 1.830   -12.361 1.00 20.00 ? 77  THR B CG2 1 
ATOM   619  N  N   . GLN A 1 72  ? -32.072 -0.254  -12.470 1.00 17.71 ? 78  GLN B N   1 
ATOM   620  C  CA  . GLN A 1 72  ? -33.513 0.038   -12.265 1.00 20.24 ? 78  GLN B CA  1 
ATOM   621  C  C   . GLN A 1 72  ? -34.425 -0.735  -13.210 1.00 20.09 ? 78  GLN B C   1 
ATOM   622  O  O   . GLN A 1 72  ? -35.626 -0.413  -13.264 1.00 23.22 ? 78  GLN B O   1 
ATOM   623  C  CB  . GLN A 1 72  ? -33.737 1.545   -12.312 1.00 26.87 ? 78  GLN B CB  1 
ATOM   624  C  CG  . GLN A 1 72  ? -33.840 2.127   -13.689 1.00 39.37 ? 78  GLN B CG  1 
ATOM   625  C  CD  . GLN A 1 72  ? -34.826 3.279   -13.689 1.00 45.95 ? 78  GLN B CD  1 
ATOM   626  O  OE1 . GLN A 1 72  ? -34.440 4.423   -13.460 1.00 68.92 ? 78  GLN B OE1 1 
ATOM   627  N  NE2 . GLN A 1 72  ? -36.107 2.999   -13.920 1.00 47.56 ? 78  GLN B NE2 1 
ATOM   628  N  N   . LYS A 1 73  ? -33.992 -1.816  -13.838 1.00 14.09 ? 79  LYS B N   1 
ATOM   629  C  CA  . LYS A 1 73  ? -34.953 -2.646  -14.574 1.00 14.46 ? 79  LYS B CA  1 
ATOM   630  C  C   . LYS A 1 73  ? -35.637 -3.686  -13.663 1.00 13.59 ? 79  LYS B C   1 
ATOM   631  O  O   . LYS A 1 73  ? -35.017 -4.208  -12.685 1.00 15.95 ? 79  LYS B O   1 
ATOM   632  C  CB  . LYS A 1 73  ? -34.218 -3.344  -15.716 1.00 14.38 ? 79  LYS B CB  1 
ATOM   633  C  CG  . LYS A 1 73  ? -33.748 -2.363  -16.800 1.00 15.86 ? 79  LYS B CG  1 
ATOM   634  C  CD  . LYS A 1 73  ? -33.290 -3.008  -18.082 1.00 15.79 ? 79  LYS B CD  1 
ATOM   635  C  CE  . LYS A 1 73  ? -34.386 -3.732  -18.835 1.00 14.82 ? 79  LYS B CE  1 
ATOM   636  N  NZ  . LYS A 1 73  ? -35.563 -2.868  -19.145 1.00 12.86 ? 79  LYS B NZ  1 
ATOM   637  N  N   . GLU A 1 74  ? -36.899 -3.963  -13.950 1.00 11.59 ? 80  GLU B N   1 
ATOM   638  C  CA  . GLU A 1 74  ? -37.703 -4.990  -13.264 1.00 12.16 ? 80  GLU B CA  1 
ATOM   639  C  C   . GLU A 1 74  ? -37.612 -6.362  -13.936 1.00 11.48 ? 80  GLU B C   1 
ATOM   640  O  O   . GLU A 1 74  ? -37.968 -7.373  -13.351 1.00 12.71 ? 80  GLU B O   1 
ATOM   641  C  CB  . GLU A 1 74  ? -39.186 -4.587  -13.203 1.00 13.25 ? 80  GLU B CB  1 
ATOM   642  C  CG  . GLU A 1 74  ? -39.457 -3.299  -12.453 1.00 14.50 ? 80  GLU B CG  1 
ATOM   643  C  CD  . GLU A 1 74  ? -40.932 -2.908  -12.532 1.00 15.43 ? 80  GLU B CD  1 
ATOM   644  O  OE1 . GLU A 1 74  ? -41.329 -2.043  -11.752 1.00 18.52 ? 80  GLU B OE1 1 
ATOM   645  O  OE2 . GLU A 1 74  ? -41.628 -3.419  -13.449 1.00 17.36 ? 80  GLU B OE2 1 
ATOM   646  N  N   . ALA A 1 75  ? -37.256 -6.388  -15.215 1.00 11.84 ? 81  ALA B N   1 
ATOM   647  C  CA  . ALA A 1 75  ? -37.237 -7.640  -15.986 1.00 10.80 ? 81  ALA B CA  1 
ATOM   648  C  C   . ALA A 1 75  ? -36.271 -7.508  -17.163 1.00 12.09 ? 81  ALA B C   1 
ATOM   649  O  O   . ALA A 1 75  ? -36.245 -6.444  -17.837 1.00 11.91 ? 81  ALA B O   1 
ATOM   650  C  CB  . ALA A 1 75  ? -38.620 -7.953  -16.487 1.00 12.45 ? 81  ALA B CB  1 
ATOM   651  N  N   . TRP A 1 76  ? -35.546 -8.601  -17.442 1.00 11.69 ? 82  TRP B N   1 
ATOM   652  C  CA  . TRP A 1 76  ? -34.541 -8.658  -18.541 1.00 11.35 ? 82  TRP B CA  1 
ATOM   653  C  C   . TRP A 1 76  ? -34.041 -10.081 -18.639 1.00 11.21 ? 82  TRP B C   1 
ATOM   654  O  O   . TRP A 1 76  ? -34.141 -10.819 -17.658 1.00 12.41 ? 82  TRP B O   1 
ATOM   655  C  CB  . TRP A 1 76  ? -33.371 -7.664  -18.338 1.00 12.26 ? 82  TRP B CB  1 
ATOM   656  C  CG  . TRP A 1 76  ? -32.714 -7.723  -17.001 1.00 12.68 ? 82  TRP B CG  1 
ATOM   657  C  CD1 . TRP A 1 76  ? -32.943 -6.893  -15.953 1.00 13.79 ? 82  TRP B CD1 1 
ATOM   658  C  CD2 . TRP A 1 76  ? -31.744 -8.674  -16.494 1.00 11.84 ? 82  TRP B CD2 1 
ATOM   659  N  NE1 . TRP A 1 76  ? -32.177 -7.196  -14.870 1.00 13.66 ? 82  TRP B NE1 1 
ATOM   660  C  CE2 . TRP A 1 76  ? -31.483 -8.353  -15.150 1.00 13.23 ? 82  TRP B CE2 1 
ATOM   661  C  CE3 . TRP A 1 76  ? -31.132 -9.834  -17.022 1.00 12.60 ? 82  TRP B CE3 1 
ATOM   662  C  CZ2 . TRP A 1 76  ? -30.529 -9.003  -14.381 1.00 12.89 ? 82  TRP B CZ2 1 
ATOM   663  C  CZ3 . TRP A 1 76  ? -30.217 -10.519 -16.246 1.00 12.77 ? 82  TRP B CZ3 1 
ATOM   664  C  CH2 . TRP A 1 76  ? -29.950 -10.126 -14.932 1.00 13.64 ? 82  TRP B CH2 1 
ATOM   665  N  N   . ASP A 1 77  ? -33.541 -10.444 -19.819 1.00 11.36 ? 83  ASP B N   1 
ATOM   666  C  CA  . ASP A 1 77  ? -32.775 -11.699 -20.025 1.00 11.57 ? 83  ASP B CA  1 
ATOM   667  C  C   . ASP A 1 77  ? -31.401 -11.295 -20.586 1.00 11.14 ? 83  ASP B C   1 
ATOM   668  O  O   . ASP A 1 77  ? -31.374 -10.396 -21.465 1.00 11.19 ? 83  ASP B O   1 
ATOM   669  C  CB  . ASP A 1 77  ? -33.457 -12.656 -20.990 1.00 12.66 ? 83  ASP B CB  1 
ATOM   670  C  CG  . ASP A 1 77  ? -34.951 -12.893 -20.865 1.00 14.36 ? 83  ASP B CG  1 
ATOM   671  O  OD1 . ASP A 1 77  ? -35.402 -12.877 -19.750 1.00 17.55 ? 83  ASP B OD1 1 
ATOM   672  O  OD2 . ASP A 1 77  ? -35.636 -13.054 -21.931 1.00 16.59 ? 83  ASP B OD2 1 
ATOM   673  N  N   . LEU A 1 78  ? -30.326 -11.995 -20.237 1.00 10.35 ? 84  LEU B N   1 
ATOM   674  C  CA  . LEU A 1 78  ? -28.981 -11.734 -20.785 1.00 10.17 ? 84  LEU B CA  1 
ATOM   675  C  C   . LEU A 1 78  ? -28.255 -13.060 -20.952 1.00 10.12 ? 84  LEU B C   1 
ATOM   676  O  O   . LEU A 1 78  ? -28.393 -13.979 -20.129 1.00 10.41 ? 84  LEU B O   1 
ATOM   677  C  CB  . LEU A 1 78  ? -28.159 -10.872 -19.837 1.00 10.88 ? 84  LEU B CB  1 
ATOM   678  C  CG  . LEU A 1 78  ? -28.519 -9.406  -19.721 1.00 12.08 ? 84  LEU B CG  1 
ATOM   679  C  CD1 . LEU A 1 78  ? -27.672 -8.814  -18.614 1.00 12.63 ? 84  LEU B CD1 1 
ATOM   680  C  CD2 . LEU A 1 78  ? -28.323 -8.724  -21.046 1.00 12.59 ? 84  LEU B CD2 1 
ATOM   681  N  N   . GLY A 1 79  ? -27.415 -13.087 -21.979 1.00 9.58  ? 85  GLY B N   1 
ATOM   682  C  CA  . GLY A 1 79  ? -26.470 -14.198 -22.130 1.00 10.73 ? 85  GLY B CA  1 
ATOM   683  C  C   . GLY A 1 79  ? -25.928 -14.277 -23.545 1.00 9.70  ? 85  GLY B C   1 
ATOM   684  O  O   . GLY A 1 79  ? -25.544 -13.266 -24.119 1.00 10.30 ? 85  GLY B O   1 
ATOM   685  N  N   A VAL A 1 80  ? -25.821 -15.510 -24.051 0.25 9.93  ? 86  VAL B N   1 
ATOM   686  N  N   B VAL A 1 80  ? -25.897 -15.488 -24.089 0.25 10.29 ? 86  VAL B N   1 
ATOM   687  C  CA  A VAL A 1 80  ? -25.427 -15.805 -25.460 0.25 10.30 ? 86  VAL B CA  1 
ATOM   688  C  CA  B VAL A 1 80  ? -25.360 -15.753 -25.449 0.25 10.82 ? 86  VAL B CA  1 
ATOM   689  C  C   A VAL A 1 80  ? -26.433 -16.769 -26.084 0.25 10.75 ? 86  VAL B C   1 
ATOM   690  C  C   B VAL A 1 80  ? -26.253 -16.838 -26.079 0.25 11.12 ? 86  VAL B C   1 
ATOM   691  O  O   A VAL A 1 80  ? -27.165 -17.481 -25.380 0.25 10.78 ? 86  VAL B O   1 
ATOM   692  O  O   B VAL A 1 80  ? -26.829 -17.639 -25.337 0.25 11.23 ? 86  VAL B O   1 
ATOM   693  C  CB  A VAL A 1 80  ? -24.022 -16.422 -25.587 0.25 10.83 ? 86  VAL B CB  1 
ATOM   694  C  CB  B VAL A 1 80  ? -23.869 -16.135 -25.331 0.25 11.94 ? 86  VAL B CB  1 
ATOM   695  C  CG1 A VAL A 1 80  ? -22.954 -15.404 -25.253 0.25 10.70 ? 86  VAL B CG1 1 
ATOM   696  C  CG1 B VAL A 1 80  ? -23.688 -17.522 -24.734 0.25 12.17 ? 86  VAL B CG1 1 
ATOM   697  C  CG2 A VAL A 1 80  ? -23.863 -17.677 -24.744 0.25 11.00 ? 86  VAL B CG2 1 
ATOM   698  C  CG2 B VAL A 1 80  ? -23.116 -16.008 -26.645 0.25 12.31 ? 86  VAL B CG2 1 
ATOM   699  N  N   . CYS A 1 81  ? -26.414 -16.837 -27.404 1.00 10.66 ? 87  CYS B N   1 
ATOM   700  C  CA  . CYS A 1 81  ? -27.223 -17.823 -28.098 1.00 12.28 ? 87  CYS B CA  1 
ATOM   701  C  C   . CYS A 1 81  ? -26.574 -18.210 -29.413 1.00 12.08 ? 87  CYS B C   1 
ATOM   702  O  O   . CYS A 1 81  ? -25.650 -17.497 -29.913 1.00 11.67 ? 87  CYS B O   1 
ATOM   703  C  CB  . CYS A 1 81  ? -28.618 -17.310 -28.390 1.00 12.73 ? 87  CYS B CB  1 
ATOM   704  S  SG  . CYS A 1 81  ? -28.712 -15.879 -29.493 1.00 13.45 ? 87  CYS B SG  1 
ATOM   705  N  N   A ARG A 1 82  ? -26.997 -19.343 -29.946 0.25 12.06 ? 88  ARG B N   1 
ATOM   706  N  N   B ARG A 1 82  ? -26.999 -19.344 -29.950 0.25 11.79 ? 88  ARG B N   1 
ATOM   707  C  CA  A ARG A 1 82  ? -26.584 -19.754 -31.309 0.25 12.83 ? 88  ARG B CA  1 
ATOM   708  C  CA  B ARG A 1 82  ? -26.556 -19.817 -31.288 0.25 12.34 ? 88  ARG B CA  1 
ATOM   709  C  C   A ARG A 1 82  ? -27.007 -18.688 -32.314 0.25 12.52 ? 88  ARG B C   1 
ATOM   710  C  C   B ARG A 1 82  ? -27.063 -18.843 -32.367 0.25 12.32 ? 88  ARG B C   1 
ATOM   711  O  O   A ARG A 1 82  ? -28.047 -18.053 -32.135 0.25 12.21 ? 88  ARG B O   1 
ATOM   712  O  O   B ARG A 1 82  ? -28.249 -18.429 -32.295 0.25 11.55 ? 88  ARG B O   1 
ATOM   713  C  CB  A ARG A 1 82  ? -27.220 -21.092 -31.674 0.25 14.12 ? 88  ARG B CB  1 
ATOM   714  C  CB  B ARG A 1 82  ? -27.061 -21.253 -31.487 0.25 13.11 ? 88  ARG B CB  1 
ATOM   715  C  CG  A ARG A 1 82  ? -26.726 -22.204 -30.774 0.25 14.55 ? 88  ARG B CG  1 
ATOM   716  C  CG  B ARG A 1 82  ? -26.347 -22.007 -32.595 0.25 13.25 ? 88  ARG B CG  1 
ATOM   717  C  CD  A ARG A 1 82  ? -27.320 -23.529 -31.169 0.25 15.60 ? 88  ARG B CD  1 
ATOM   718  C  CD  B ARG A 1 82  ? -26.915 -23.377 -32.860 0.25 12.93 ? 88  ARG B CD  1 
ATOM   719  N  NE  A ARG A 1 82  ? -26.989 -24.597 -30.231 0.25 14.85 ? 88  ARG B NE  1 
ATOM   720  N  NE  B ARG A 1 82  ? -26.801 -24.210 -31.681 0.25 13.21 ? 88  ARG B NE  1 
ATOM   721  C  CZ  A ARG A 1 82  ? -27.822 -25.580 -29.929 0.25 15.57 ? 88  ARG B CZ  1 
ATOM   722  C  CZ  B ARG A 1 82  ? -27.833 -24.781 -31.056 0.25 12.85 ? 88  ARG B CZ  1 
ATOM   723  N  NH1 A ARG A 1 82  ? -29.031 -25.591 -30.460 0.25 15.60 ? 88  ARG B NH1 1 
ATOM   724  N  NH1 B ARG A 1 82  ? -29.049 -24.651 -31.533 0.25 13.90 ? 88  ARG B NH1 1 
ATOM   725  N  NH2 A ARG A 1 82  ? -27.457 -26.529 -29.085 0.25 16.70 ? 88  ARG B NH2 1 
ATOM   726  N  NH2 B ARG A 1 82  ? -27.633 -25.493 -29.967 0.25 12.75 ? 88  ARG B NH2 1 
ATOM   727  N  N   . ASP A 1 83  ? -26.226 -18.540 -33.373 1.00 13.19 ? 89  ASP B N   1 
ATOM   728  C  CA  . ASP A 1 83  ? -26.617 -17.629 -34.477 1.00 14.68 ? 89  ASP B CA  1 
ATOM   729  C  C   . ASP A 1 83  ? -27.914 -18.149 -35.090 1.00 16.35 ? 89  ASP B C   1 
ATOM   730  O  O   . ASP A 1 83  ? -28.634 -17.321 -35.664 1.00 19.08 ? 89  ASP B O   1 
ATOM   731  C  CB  . ASP A 1 83  ? -25.495 -17.537 -35.517 1.00 17.87 ? 89  ASP B CB  1 
ATOM   732  C  CG  . ASP A 1 83  ? -25.080 -18.828 -36.197 1.00 21.08 ? 89  ASP B CG  1 
ATOM   733  O  OD1 . ASP A 1 83  ? -25.570 -19.950 -35.827 1.00 25.20 ? 89  ASP B OD1 1 
ATOM   734  O  OD2 . ASP A 1 83  ? -24.289 -18.710 -37.170 1.00 26.42 ? 89  ASP B OD2 1 
ATOM   735  N  N   . SER A 1 84  ? -28.197 -19.455 -35.047 1.00 14.67 ? 90  SER B N   1 
ATOM   736  C  CA  . SER A 1 84  ? -29.356 -20.080 -35.747 1.00 16.44 ? 90  SER B CA  1 
ATOM   737  C  C   . SER A 1 84  ? -30.616 -20.188 -34.869 1.00 15.23 ? 90  SER B C   1 
ATOM   738  O  O   . SER A 1 84  ? -31.533 -20.902 -35.255 1.00 15.48 ? 90  SER B O   1 
ATOM   739  C  CB  . SER A 1 84  ? -28.945 -21.458 -36.272 1.00 17.68 ? 90  SER B CB  1 
ATOM   740  O  OG  . SER A 1 84  ? -28.461 -22.266 -35.256 1.00 20.29 ? 90  SER B OG  1 
ATOM   741  N  N   . VAL A 1 85  ? -30.671 -19.529 -33.700 1.00 13.77 ? 91  VAL B N   1 
ATOM   742  C  CA  . VAL A 1 85  ? -31.904 -19.585 -32.876 1.00 14.60 ? 91  VAL B CA  1 
ATOM   743  C  C   . VAL A 1 85  ? -33.106 -19.117 -33.695 1.00 14.25 ? 91  VAL B C   1 
ATOM   744  O  O   . VAL A 1 85  ? -33.006 -18.199 -34.533 1.00 14.79 ? 91  VAL B O   1 
ATOM   745  C  CB  . VAL A 1 85  ? -31.804 -18.841 -31.527 1.00 13.70 ? 91  VAL B CB  1 
ATOM   746  C  CG1 . VAL A 1 85  ? -30.801 -19.513 -30.613 1.00 14.28 ? 91  VAL B CG1 1 
ATOM   747  C  CG2 . VAL A 1 85  ? -31.587 -17.357 -31.674 1.00 13.12 ? 91  VAL B CG2 1 
ATOM   748  N  N   . GLN A 1 86  ? -34.235 -19.717 -33.361 1.00 15.65 ? 92  GLN B N   1 
ATOM   749  C  CA  . GLN A 1 86  ? -35.596 -19.297 -33.827 1.00 17.44 ? 92  GLN B CA  1 
ATOM   750  C  C   . GLN A 1 86  ? -35.804 -17.807 -33.533 1.00 15.21 ? 92  GLN B C   1 
ATOM   751  O  O   . GLN A 1 86  ? -35.492 -17.365 -32.428 1.00 15.26 ? 92  GLN B O   1 
ATOM   752  C  CB  . GLN A 1 86  ? -36.627 -20.203 -33.146 1.00 19.71 ? 92  GLN B CB  1 
ATOM   753  C  CG  . GLN A 1 86  ? -38.090 -19.880 -33.412 1.00 21.20 ? 92  GLN B CG  1 
ATOM   754  C  CD  . GLN A 1 86  ? -38.995 -20.755 -32.567 1.00 24.89 ? 92  GLN B CD  1 
ATOM   755  O  OE1 . GLN A 1 86  ? -38.586 -21.762 -31.952 1.00 25.09 ? 92  GLN B OE1 1 
ATOM   756  N  NE2 . GLN A 1 86  ? -40.269 -20.374 -32.503 1.00 25.23 ? 92  GLN B NE2 1 
ATOM   757  N  N   . ARG A 1 87  ? -36.358 -17.070 -34.486 1.00 14.39 ? 93  ARG B N   1 
ATOM   758  C  CA  . ARG A 1 87  ? -36.656 -15.614 -34.341 1.00 13.25 ? 93  ARG B CA  1 
ATOM   759  C  C   . ARG A 1 87  ? -38.165 -15.406 -34.226 1.00 14.95 ? 93  ARG B C   1 
ATOM   760  O  O   . ARG A 1 87  ? -38.531 -14.400 -33.620 1.00 14.99 ? 93  ARG B O   1 
ATOM   761  C  CB  . ARG A 1 87  ? -36.115 -14.797 -35.507 1.00 14.04 ? 93  ARG B CB  1 
ATOM   762  C  CG  . ARG A 1 87  ? -34.644 -15.002 -35.848 1.00 13.59 ? 93  ARG B CG  1 
ATOM   763  C  CD  . ARG A 1 87  ? -33.724 -14.813 -34.636 1.00 15.15 ? 93  ARG B CD  1 
ATOM   764  N  NE  . ARG A 1 87  ? -32.350 -15.242 -34.969 1.00 16.01 ? 93  ARG B NE  1 
ATOM   765  C  CZ  . ARG A 1 87  ? -31.440 -14.534 -35.599 1.00 15.54 ? 93  ARG B CZ  1 
ATOM   766  N  NH1 . ARG A 1 87  ? -31.686 -13.297 -35.975 1.00 16.74 ? 93  ARG B NH1 1 
ATOM   767  N  NH2 . ARG A 1 87  ? -30.272 -15.086 -35.870 1.00 17.30 ? 93  ARG B NH2 1 
ATOM   768  N  N   . LYS A 1 88  ? -38.987 -16.228 -34.871 1.00 15.06 ? 94  LYS B N   1 
ATOM   769  C  CA  . LYS A 1 88  ? -40.443 -15.979 -34.993 1.00 15.47 ? 94  LYS B CA  1 
ATOM   770  C  C   . LYS A 1 88  ? -41.229 -16.893 -34.086 1.00 16.70 ? 94  LYS B C   1 
ATOM   771  O  O   . LYS A 1 88  ? -40.879 -18.106 -33.975 1.00 19.19 ? 94  LYS B O   1 
ATOM   772  C  CB  . LYS A 1 88  ? -40.841 -16.140 -36.459 1.00 15.53 ? 94  LYS B CB  1 
ATOM   773  C  CG  . LYS A 1 88  ? -40.010 -15.365 -37.454 1.00 16.95 ? 94  LYS B CG  1 
ATOM   774  C  CD  . LYS A 1 88  ? -40.005 -13.866 -37.205 1.00 17.88 ? 94  LYS B CD  1 
ATOM   775  C  CE  . LYS A 1 88  ? -39.246 -13.161 -38.293 1.00 18.14 ? 94  LYS B CE  1 
ATOM   776  N  NZ  . LYS A 1 88  ? -39.212 -11.698 -38.079 1.00 19.03 ? 94  LYS B NZ  1 
ATOM   777  N  N   . GLY A 1 89  ? -42.285 -16.382 -33.496 1.00 18.17 ? 95  GLY B N   1 
ATOM   778  C  CA  . GLY A 1 89  ? -43.195 -17.188 -32.678 1.00 17.21 ? 95  GLY B CA  1 
ATOM   779  C  C   . GLY A 1 89  ? -42.721 -17.350 -31.252 1.00 20.45 ? 95  GLY B C   1 
ATOM   780  O  O   . GLY A 1 89  ? -41.741 -16.645 -30.850 1.00 18.58 ? 95  GLY B O   1 
ATOM   781  N  N   . GLN A 1 90  ? -43.370 -18.239 -30.518 1.00 19.78 ? 96  GLN B N   1 
ATOM   782  C  CA  . GLN A 1 90  ? -43.124 -18.511 -29.090 1.00 20.65 ? 96  GLN B CA  1 
ATOM   783  C  C   . GLN A 1 90  ? -42.062 -19.590 -28.935 1.00 19.65 ? 96  GLN B C   1 
ATOM   784  O  O   . GLN A 1 90  ? -41.978 -20.495 -29.775 1.00 20.17 ? 96  GLN B O   1 
ATOM   785  C  CB  . GLN A 1 90  ? -44.440 -18.918 -28.410 1.00 25.27 ? 96  GLN B CB  1 
ATOM   786  C  CG  . GLN A 1 90  ? -45.443 -17.791 -28.450 1.00 31.17 ? 96  GLN B CG  1 
ATOM   787  C  CD  . GLN A 1 90  ? -46.816 -18.249 -28.061 1.00 40.84 ? 96  GLN B CD  1 
ATOM   788  O  OE1 . GLN A 1 90  ? -47.168 -18.186 -26.887 1.00 51.78 ? 96  GLN B OE1 1 
ATOM   789  N  NE2 . GLN A 1 90  ? -47.574 -18.725 -29.044 1.00 42.33 ? 96  GLN B NE2 1 
ATOM   790  N  N   . PHE A 1 91  ? -41.192 -19.406 -27.949 1.00 17.20 ? 97  PHE B N   1 
ATOM   791  C  CA  . PHE A 1 91  ? -40.141 -20.378 -27.594 1.00 17.69 ? 97  PHE B CA  1 
ATOM   792  C  C   . PHE A 1 91  ? -39.676 -20.104 -26.170 1.00 16.99 ? 97  PHE B C   1 
ATOM   793  O  O   . PHE A 1 91  ? -39.847 -18.997 -25.648 1.00 18.05 ? 97  PHE B O   1 
ATOM   794  C  CB  . PHE A 1 91  ? -38.963 -20.287 -28.558 1.00 17.08 ? 97  PHE B CB  1 
ATOM   795  C  CG  . PHE A 1 91  ? -38.363 -18.917 -28.680 1.00 17.44 ? 97  PHE B CG  1 
ATOM   796  C  CD1 . PHE A 1 91  ? -37.366 -18.521 -27.802 1.00 17.80 ? 97  PHE B CD1 1 
ATOM   797  C  CD2 . PHE A 1 91  ? -38.716 -18.069 -29.719 1.00 18.05 ? 97  PHE B CD2 1 
ATOM   798  C  CE1 . PHE A 1 91  ? -36.778 -17.277 -27.936 1.00 16.44 ? 97  PHE B CE1 1 
ATOM   799  C  CE2 . PHE A 1 91  ? -38.111 -16.840 -29.861 1.00 16.77 ? 97  PHE B CE2 1 
ATOM   800  C  CZ  . PHE A 1 91  ? -37.132 -16.455 -28.973 1.00 16.94 ? 97  PHE B CZ  1 
ATOM   801  N  N   A SER A 1 92  ? -39.128 -21.117 -25.506 0.25 17.65 ? 98  SER B N   1 
ATOM   802  N  N   B SER A 1 92  ? -39.094 -21.138 -25.562 0.25 16.81 ? 98  SER B N   1 
ATOM   803  C  CA  A SER A 1 92  ? -38.508 -20.939 -24.168 0.25 17.91 ? 98  SER B CA  1 
ATOM   804  C  CA  B SER A 1 92  ? -38.454 -21.098 -24.224 0.25 16.61 ? 98  SER B CA  1 
ATOM   805  C  C   A SER A 1 92  ? -36.999 -20.779 -24.334 0.25 16.71 ? 98  SER B C   1 
ATOM   806  C  C   B SER A 1 92  ? -36.970 -20.759 -24.379 0.25 15.96 ? 98  SER B C   1 
ATOM   807  O  O   A SER A 1 92  ? -36.418 -21.323 -25.301 0.25 16.63 ? 98  SER B O   1 
ATOM   808  O  O   B SER A 1 92  ? -36.365 -21.158 -25.409 0.25 15.81 ? 98  SER B O   1 
ATOM   809  C  CB  A SER A 1 92  ? -38.822 -22.058 -23.226 0.25 20.37 ? 98  SER B CB  1 
ATOM   810  C  CB  B SER A 1 92  ? -38.630 -22.409 -23.498 0.25 17.76 ? 98  SER B CB  1 
ATOM   811  O  OG  A SER A 1 92  ? -38.468 -23.293 -23.813 0.25 22.90 ? 98  SER B OG  1 
ATOM   812  O  OG  B SER A 1 92  ? -40.007 -22.641 -23.213 0.25 18.97 ? 98  SER B OG  1 
ATOM   813  N  N   . LEU A 1 93  ? -36.404 -20.041 -23.406 1.00 15.12 ? 99  LEU B N   1 
ATOM   814  C  CA  . LEU A 1 93  ? -34.949 -19.855 -23.351 1.00 15.96 ? 99  LEU B CA  1 
ATOM   815  C  C   . LEU A 1 93  ? -34.350 -21.068 -22.658 1.00 16.50 ? 99  LEU B C   1 
ATOM   816  O  O   . LEU A 1 93  ? -34.431 -21.202 -21.431 1.00 17.26 ? 99  LEU B O   1 
ATOM   817  C  CB  . LEU A 1 93  ? -34.616 -18.580 -22.596 1.00 16.10 ? 99  LEU B CB  1 
ATOM   818  C  CG  . LEU A 1 93  ? -35.071 -17.270 -23.220 1.00 17.42 ? 99  LEU B CG  1 
ATOM   819  C  CD1 . LEU A 1 93  ? -34.718 -16.118 -22.278 1.00 19.49 ? 99  LEU B CD1 1 
ATOM   820  C  CD2 . LEU A 1 93  ? -34.486 -17.044 -24.615 1.00 18.51 ? 99  LEU B CD2 1 
ATOM   821  N  N   . SER A 1 94  ? -33.669 -21.940 -23.403 1.00 14.93 ? 100 SER B N   1 
ATOM   822  C  CA  . SER A 1 94  ? -33.054 -23.158 -22.846 1.00 14.29 ? 100 SER B CA  1 
ATOM   823  C  C   . SER A 1 94  ? -31.855 -23.500 -23.702 1.00 13.15 ? 100 SER B C   1 
ATOM   824  O  O   . SER A 1 94  ? -31.862 -23.182 -24.904 1.00 13.38 ? 100 SER B O   1 
ATOM   825  C  CB  . SER A 1 94  ? -33.989 -24.343 -22.841 1.00 16.50 ? 100 SER B CB  1 
ATOM   826  O  OG  . SER A 1 94  ? -34.362 -24.663 -24.187 1.00 19.26 ? 100 SER B OG  1 
ATOM   827  N  N   . PRO A 1 95  ? -30.927 -24.296 -23.173 1.00 12.86 ? 101 PRO B N   1 
ATOM   828  C  CA  . PRO A 1 95  ? -29.814 -24.789 -23.984 1.00 14.50 ? 101 PRO B CA  1 
ATOM   829  C  C   . PRO A 1 95  ? -30.289 -25.681 -25.140 1.00 14.08 ? 101 PRO B C   1 
ATOM   830  O  O   . PRO A 1 95  ? -29.709 -25.564 -26.246 1.00 14.71 ? 101 PRO B O   1 
ATOM   831  C  CB  . PRO A 1 95  ? -28.906 -25.549 -23.000 1.00 14.41 ? 101 PRO B CB  1 
ATOM   832  C  CG  . PRO A 1 95  ? -29.211 -24.841 -21.671 1.00 14.68 ? 101 PRO B CG  1 
ATOM   833  C  CD  . PRO A 1 95  ? -30.698 -24.543 -21.736 1.00 14.27 ? 101 PRO B CD  1 
ATOM   834  N  N   . GLU A 1 96  ? -31.382 -26.420 -24.947 1.00 15.64 ? 102 GLU B N   1 
ATOM   835  C  CA  . GLU A 1 96  ? -31.974 -27.247 -26.041 1.00 18.34 ? 102 GLU B CA  1 
ATOM   836  C  C   . GLU A 1 96  ? -32.368 -26.357 -27.223 1.00 17.01 ? 102 GLU B C   1 
ATOM   837  O  O   . GLU A 1 96  ? -32.261 -26.793 -28.391 1.00 18.28 ? 102 GLU B O   1 
ATOM   838  C  CB  . GLU A 1 96  ? -33.154 -28.072 -25.534 1.00 22.91 ? 102 GLU B CB  1 
ATOM   839  C  CG  . GLU A 1 96  ? -32.778 -28.944 -24.360 1.00 31.96 ? 102 GLU B CG  1 
ATOM   840  C  CD  . GLU A 1 96  ? -33.184 -28.397 -22.994 1.00 39.46 ? 102 GLU B CD  1 
ATOM   841  O  OE1 . GLU A 1 96  ? -32.410 -27.553 -22.395 1.00 25.81 ? 102 GLU B OE1 1 
ATOM   842  O  OE2 . GLU A 1 96  ? -34.270 -28.849 -22.505 1.00 47.62 ? 102 GLU B OE2 1 
ATOM   843  N  N   . ASN A 1 97  ? -32.839 -25.134 -26.980 1.00 14.63 ? 103 ASN B N   1 
ATOM   844  C  CA  . ASN A 1 97  ? -33.235 -24.186 -28.048 1.00 14.46 ? 103 ASN B CA  1 
ATOM   845  C  C   . ASN A 1 97  ? -32.070 -23.280 -28.463 1.00 14.53 ? 103 ASN B C   1 
ATOM   846  O  O   . ASN A 1 97  ? -32.290 -22.421 -29.333 1.00 15.33 ? 103 ASN B O   1 
ATOM   847  C  CB  . ASN A 1 97  ? -34.468 -23.366 -27.625 1.00 15.89 ? 103 ASN B CB  1 
ATOM   848  C  CG  . ASN A 1 97  ? -35.750 -24.165 -27.589 1.00 18.55 ? 103 ASN B CG  1 
ATOM   849  O  OD1 . ASN A 1 97  ? -35.836 -25.247 -28.197 1.00 20.39 ? 103 ASN B OD1 1 
ATOM   850  N  ND2 . ASN A 1 97  ? -36.717 -23.711 -26.804 1.00 19.71 ? 103 ASN B ND2 1 
ATOM   851  N  N   . GLY A 1 98  ? -30.859 -23.453 -27.934 1.00 13.05 ? 104 GLY B N   1 
ATOM   852  C  CA  . GLY A 1 98  ? -29.689 -22.671 -28.331 1.00 12.93 ? 104 GLY B CA  1 
ATOM   853  C  C   . GLY A 1 98  ? -29.465 -21.394 -27.535 1.00 12.42 ? 104 GLY B C   1 
ATOM   854  O  O   . GLY A 1 98  ? -28.776 -20.520 -28.049 1.00 12.24 ? 104 GLY B O   1 
ATOM   855  N  N   . PHE A 1 99  ? -29.917 -21.330 -26.272 1.00 12.94 ? 105 PHE B N   1 
ATOM   856  C  CA  . PHE A 1 99  ? -29.723 -20.127 -25.412 1.00 12.67 ? 105 PHE B CA  1 
ATOM   857  C  C   . PHE A 1 99  ? -29.065 -20.486 -24.071 1.00 11.63 ? 105 PHE B C   1 
ATOM   858  O  O   . PHE A 1 99  ? -29.485 -21.512 -23.453 1.00 13.06 ? 105 PHE B O   1 
ATOM   859  C  CB  . PHE A 1 99  ? -31.077 -19.483 -25.068 1.00 12.84 ? 105 PHE B CB  1 
ATOM   860  C  CG  . PHE A 1 99  ? -31.843 -18.986 -26.272 1.00 11.70 ? 105 PHE B CG  1 
ATOM   861  C  CD1 . PHE A 1 99  ? -32.756 -19.817 -26.906 1.00 11.63 ? 105 PHE B CD1 1 
ATOM   862  C  CD2 . PHE A 1 99  ? -31.738 -17.674 -26.700 1.00 11.23 ? 105 PHE B CD2 1 
ATOM   863  C  CE1 . PHE A 1 99  ? -33.460 -19.368 -28.012 1.00 12.08 ? 105 PHE B CE1 1 
ATOM   864  C  CE2 . PHE A 1 99  ? -32.467 -17.218 -27.780 1.00 12.72 ? 105 PHE B CE2 1 
ATOM   865  C  CZ  . PHE A 1 99  ? -33.360 -18.063 -28.396 1.00 11.74 ? 105 PHE B CZ  1 
ATOM   866  N  N   . TRP A 1 100 ? -28.086 -19.676 -23.650 1.00 10.31 ? 106 TRP B N   1 
ATOM   867  C  CA  . TRP A 1 100 ? -27.406 -19.791 -22.344 1.00 9.80  ? 106 TRP B CA  1 
ATOM   868  C  C   . TRP A 1 100 ? -27.560 -18.446 -21.645 1.00 9.45  ? 106 TRP B C   1 
ATOM   869  O  O   . TRP A 1 100 ? -26.805 -17.502 -21.980 1.00 10.63 ? 106 TRP B O   1 
ATOM   870  C  CB  . TRP A 1 100 ? -25.940 -20.241 -22.522 1.00 10.23 ? 106 TRP B CB  1 
ATOM   871  C  CG  . TRP A 1 100 ? -25.864 -21.614 -23.138 1.00 10.57 ? 106 TRP B CG  1 
ATOM   872  C  CD1 . TRP A 1 100 ? -25.764 -22.823 -22.495 1.00 11.73 ? 106 TRP B CD1 1 
ATOM   873  C  CD2 . TRP A 1 100 ? -25.882 -21.923 -24.560 1.00 10.44 ? 106 TRP B CD2 1 
ATOM   874  N  NE1 . TRP A 1 100 ? -25.785 -23.850 -23.422 1.00 12.06 ? 106 TRP B NE1 1 
ATOM   875  C  CE2 . TRP A 1 100 ? -25.834 -23.333 -24.681 1.00 11.95 ? 106 TRP B CE2 1 
ATOM   876  C  CE3 . TRP A 1 100 ? -25.931 -21.128 -25.714 1.00 11.36 ? 106 TRP B CE3 1 
ATOM   877  C  CZ2 . TRP A 1 100 ? -25.881 -23.962 -25.936 1.00 12.35 ? 106 TRP B CZ2 1 
ATOM   878  C  CZ3 . TRP A 1 100 ? -25.967 -21.767 -26.943 1.00 12.40 ? 106 TRP B CZ3 1 
ATOM   879  C  CH2 . TRP A 1 100 ? -25.948 -23.150 -27.039 1.00 11.97 ? 106 TRP B CH2 1 
ATOM   880  N  N   . THR A 1 101 ? -28.572 -18.359 -20.773 1.00 10.32 ? 107 THR B N   1 
ATOM   881  C  CA  . THR A 1 101 ? -29.083 -17.035 -20.310 1.00 10.12 ? 107 THR B CA  1 
ATOM   882  C  C   . THR A 1 101 ? -29.403 -17.104 -18.808 1.00 10.76 ? 107 THR B C   1 
ATOM   883  O  O   . THR A 1 101 ? -29.679 -18.198 -18.287 1.00 10.71 ? 107 THR B O   1 
ATOM   884  C  CB  . THR A 1 101 ? -30.323 -16.600 -21.063 1.00 11.26 ? 107 THR B CB  1 
ATOM   885  O  OG1 . THR A 1 101 ? -31.406 -17.503 -20.837 1.00 11.84 ? 107 THR B OG1 1 
ATOM   886  C  CG2 . THR A 1 101 ? -30.020 -16.430 -22.541 1.00 11.60 ? 107 THR B CG2 1 
ATOM   887  N  N   . ILE A 1 102 ? -29.469 -15.920 -18.216 1.00 10.90 ? 108 ILE B N   1 
ATOM   888  C  CA  . ILE A 1 102 ? -30.092 -15.722 -16.870 1.00 10.84 ? 108 ILE B CA  1 
ATOM   889  C  C   . ILE A 1 102 ? -31.103 -14.580 -17.045 1.00 11.07 ? 108 ILE B C   1 
ATOM   890  O  O   . ILE A 1 102 ? -31.027 -13.830 -18.060 1.00 11.14 ? 108 ILE B O   1 
ATOM   891  C  CB  . ILE A 1 102 ? -29.073 -15.424 -15.744 1.00 11.41 ? 108 ILE B CB  1 
ATOM   892  C  CG1 . ILE A 1 102 ? -28.401 -14.053 -15.890 1.00 11.81 ? 108 ILE B CG1 1 
ATOM   893  C  CG2 . ILE A 1 102 ? -28.090 -16.572 -15.643 1.00 11.89 ? 108 ILE B CG2 1 
ATOM   894  C  CD1 . ILE A 1 102 ? -27.546 -13.608 -14.721 1.00 12.07 ? 108 ILE B CD1 1 
ATOM   895  N  N   . TRP A 1 103 ? -31.981 -14.450 -16.069 1.00 11.15 ? 109 TRP B N   1 
ATOM   896  C  CA  . TRP A 1 103 ? -32.988 -13.359 -16.104 1.00 11.25 ? 109 TRP B CA  1 
ATOM   897  C  C   . TRP A 1 103 ? -33.422 -12.957 -14.720 1.00 11.12 ? 109 TRP B C   1 
ATOM   898  O  O   . TRP A 1 103 ? -33.225 -13.630 -13.715 1.00 11.81 ? 109 TRP B O   1 
ATOM   899  C  CB  . TRP A 1 103 ? -34.189 -13.765 -16.923 1.00 13.89 ? 109 TRP B CB  1 
ATOM   900  C  CG  . TRP A 1 103 ? -34.977 -14.905 -16.397 1.00 15.82 ? 109 TRP B CG  1 
ATOM   901  C  CD1 . TRP A 1 103 ? -35.796 -14.905 -15.310 1.00 16.59 ? 109 TRP B CD1 1 
ATOM   902  C  CD2 . TRP A 1 103 ? -35.103 -16.168 -17.028 1.00 16.90 ? 109 TRP B CD2 1 
ATOM   903  N  NE1 . TRP A 1 103 ? -36.472 -16.078 -15.259 1.00 19.88 ? 109 TRP B NE1 1 
ATOM   904  C  CE2 . TRP A 1 103 ? -36.077 -16.873 -16.297 1.00 17.48 ? 109 TRP B CE2 1 
ATOM   905  C  CE3 . TRP A 1 103 ? -34.533 -16.730 -18.168 1.00 18.12 ? 109 TRP B CE3 1 
ATOM   906  C  CZ2 . TRP A 1 103 ? -36.410 -18.183 -16.621 1.00 20.35 ? 109 TRP B CZ2 1 
ATOM   907  C  CZ3 . TRP A 1 103 ? -34.932 -17.987 -18.527 1.00 19.76 ? 109 TRP B CZ3 1 
ATOM   908  C  CH2 . TRP A 1 103 ? -35.866 -18.688 -17.779 1.00 18.41 ? 109 TRP B CH2 1 
ATOM   909  N  N   . LEU A 1 104 ? -33.988 -11.738 -14.726 1.00 11.72 ? 110 LEU B N   1 
ATOM   910  C  CA  . LEU A 1 104 ? -34.767 -11.188 -13.613 1.00 12.52 ? 110 LEU B CA  1 
ATOM   911  C  C   . LEU A 1 104 ? -36.232 -11.158 -14.020 1.00 11.49 ? 110 LEU B C   1 
ATOM   912  O  O   . LEU A 1 104 ? -36.522 -10.681 -15.125 1.00 11.74 ? 110 LEU B O   1 
ATOM   913  C  CB  . LEU A 1 104 ? -34.310 -9.772  -13.305 1.00 12.80 ? 110 LEU B CB  1 
ATOM   914  C  CG  . LEU A 1 104 ? -35.137 -9.003  -12.265 1.00 12.52 ? 110 LEU B CG  1 
ATOM   915  C  CD1 . LEU A 1 104 ? -35.156 -9.669  -10.893 1.00 13.37 ? 110 LEU B CD1 1 
ATOM   916  C  CD2 . LEU A 1 104 ? -34.705 -7.561  -12.128 1.00 14.32 ? 110 LEU B CD2 1 
ATOM   917  N  N   . TRP A 1 105 ? -37.131 -11.600 -13.132 1.00 12.51 ? 111 TRP B N   1 
ATOM   918  C  CA  . TRP A 1 105 ? -38.575 -11.613 -13.386 1.00 13.44 ? 111 TRP B CA  1 
ATOM   919  C  C   . TRP A 1 105 ? -39.287 -11.642 -12.043 1.00 15.14 ? 111 TRP B C   1 
ATOM   920  O  O   . TRP A 1 105 ? -38.982 -12.534 -11.227 1.00 15.26 ? 111 TRP B O   1 
ATOM   921  C  CB  . TRP A 1 105 ? -38.928 -12.838 -14.226 1.00 17.02 ? 111 TRP B CB  1 
ATOM   922  C  CG  . TRP A 1 105 ? -40.374 -13.062 -14.363 1.00 21.10 ? 111 TRP B CG  1 
ATOM   923  C  CD1 . TRP A 1 105 ? -41.148 -14.052 -13.815 1.00 21.80 ? 111 TRP B CD1 1 
ATOM   924  C  CD2 . TRP A 1 105 ? -41.233 -12.214 -15.125 1.00 20.53 ? 111 TRP B CD2 1 
ATOM   925  N  NE1 . TRP A 1 105 ? -42.439 -13.881 -14.218 1.00 22.96 ? 111 TRP B NE1 1 
ATOM   926  C  CE2 . TRP A 1 105 ? -42.516 -12.786 -15.047 1.00 19.91 ? 111 TRP B CE2 1 
ATOM   927  C  CE3 . TRP A 1 105 ? -41.034 -11.090 -15.918 1.00 22.10 ? 111 TRP B CE3 1 
ATOM   928  C  CZ2 . TRP A 1 105 ? -43.611 -12.226 -15.689 1.00 26.27 ? 111 TRP B CZ2 1 
ATOM   929  C  CZ3 . TRP A 1 105 ? -42.123 -10.517 -16.538 1.00 25.94 ? 111 TRP B CZ3 1 
ATOM   930  C  CH2 . TRP A 1 105 ? -43.396 -11.074 -16.419 1.00 24.99 ? 111 TRP B CH2 1 
ATOM   931  N  N   . GLN A 1 106 ? -40.138 -10.633 -11.765 1.00 15.11 ? 112 GLN B N   1 
ATOM   932  C  CA  . GLN A 1 106 ? -40.942 -10.664 -10.515 1.00 15.44 ? 112 GLN B CA  1 
ATOM   933  C  C   . GLN A 1 106 ? -40.078 -10.868 -9.302  1.00 16.98 ? 112 GLN B C   1 
ATOM   934  O  O   . GLN A 1 106 ? -40.435 -11.738 -8.413  1.00 18.50 ? 112 GLN B O   1 
ATOM   935  C  CB  . GLN A 1 106 ? -42.059 -11.701 -10.636 1.00 17.48 ? 112 GLN B CB  1 
ATOM   936  C  CG  . GLN A 1 106 ? -42.982 -11.452 -11.821 1.00 18.02 ? 112 GLN B CG  1 
ATOM   937  C  CD  . GLN A 1 106 ? -44.277 -12.222 -11.833 1.00 21.95 ? 112 GLN B CD  1 
ATOM   938  O  OE1 . GLN A 1 106 ? -45.221 -11.864 -12.559 1.00 24.40 ? 112 GLN B OE1 1 
ATOM   939  N  NE2 . GLN A 1 106 ? -44.319 -13.294 -11.063 1.00 18.86 ? 112 GLN B NE2 1 
ATOM   940  N  N   . ASP A 1 107 ? -39.043 -10.058 -9.185  1.00 17.03 ? 113 ASP B N   1 
ATOM   941  C  CA  . ASP A 1 107 ? -38.253 -9.972  -7.945  1.00 22.47 ? 113 ASP B CA  1 
ATOM   942  C  C   . ASP A 1 107 ? -37.470 -11.266 -7.679  1.00 21.28 ? 113 ASP B C   1 
ATOM   943  O  O   . ASP A 1 107 ? -36.900 -11.361 -6.563  1.00 28.77 ? 113 ASP B O   1 
ATOM   944  C  CB  . ASP A 1 107 ? -39.211 -9.724  -6.775  1.00 25.67 ? 113 ASP B CB  1 
ATOM   945  C  CG  . ASP A 1 107 ? -38.637 -8.957  -5.621  1.00 35.76 ? 113 ASP B CG  1 
ATOM   946  O  OD1 . ASP A 1 107 ? -37.615 -8.255  -5.809  1.00 40.00 ? 113 ASP B OD1 1 
ATOM   947  O  OD2 . ASP A 1 107 ? -39.240 -9.066  -4.518  1.00 49.17 ? 113 ASP B OD2 1 
ATOM   948  N  N   . SER A 1 108 ? -37.339 -12.165 -8.653  1.00 17.78 ? 114 SER B N   1 
ATOM   949  C  CA  . SER A 1 108 ? -36.415 -13.327 -8.509  1.00 19.19 ? 114 SER B CA  1 
ATOM   950  C  C   . SER A 1 108 ? -35.504 -13.457 -9.731  1.00 16.21 ? 114 SER B C   1 
ATOM   951  O  O   . SER A 1 108 ? -35.888 -13.081 -10.888 1.00 15.38 ? 114 SER B O   1 
ATOM   952  C  CB  . SER A 1 108 ? -37.153 -14.572 -8.162  1.00 23.61 ? 114 SER B CB  1 
ATOM   953  O  OG  . SER A 1 108 ? -37.889 -15.049 -9.254  1.00 32.30 ? 114 SER B OG  1 
ATOM   954  N  N   . TYR A 1 109 ? -34.310 -13.974 -9.503  1.00 13.86 ? 115 TYR B N   1 
ATOM   955  C  CA  . TYR A 1 109 ? -33.314 -14.240 -10.565 1.00 12.67 ? 115 TYR B CA  1 
ATOM   956  C  C   . TYR A 1 109 ? -33.284 -15.727 -10.822 1.00 12.36 ? 115 TYR B C   1 
ATOM   957  O  O   . TYR A 1 109 ? -33.300 -16.523 -9.879  1.00 13.36 ? 115 TYR B O   1 
ATOM   958  C  CB  . TYR A 1 109 ? -31.946 -13.709 -10.155 1.00 12.34 ? 115 TYR B CB  1 
ATOM   959  C  CG  . TYR A 1 109 ? -31.909 -12.209 -9.900  1.00 13.19 ? 115 TYR B CG  1 
ATOM   960  C  CD1 . TYR A 1 109 ? -32.128 -11.688 -8.644  1.00 14.34 ? 115 TYR B CD1 1 
ATOM   961  C  CD2 . TYR A 1 109 ? -31.507 -11.345 -10.895 1.00 12.16 ? 115 TYR B CD2 1 
ATOM   962  C  CE1 . TYR A 1 109 ? -32.055 -10.319 -8.411  1.00 14.71 ? 115 TYR B CE1 1 
ATOM   963  C  CE2 . TYR A 1 109 ? -31.439 -9.976  -10.683 1.00 12.62 ? 115 TYR B CE2 1 
ATOM   964  C  CZ  . TYR A 1 109 ? -31.689 -9.474  -9.425  1.00 13.95 ? 115 TYR B CZ  1 
ATOM   965  O  OH  . TYR A 1 109 ? -31.686 -8.117  -9.181  1.00 15.22 ? 115 TYR B OH  1 
ATOM   966  N  N   A GLU A 1 110 ? -33.247 -16.118 -12.098 0.25 12.07 ? 116 GLU B N   1 
ATOM   967  N  N   B GLU A 1 110 ? -33.269 -16.105 -12.102 0.25 12.37 ? 116 GLU B N   1 
ATOM   968  C  CA  A GLU A 1 110 ? -33.242 -17.555 -12.498 0.25 12.47 ? 116 GLU B CA  1 
ATOM   969  C  CA  B GLU A 1 110 ? -33.268 -17.527 -12.550 0.25 12.96 ? 116 GLU B CA  1 
ATOM   970  C  C   A GLU A 1 110 ? -32.341 -17.784 -13.713 0.25 11.71 ? 116 GLU B C   1 
ATOM   971  C  C   B GLU A 1 110 ? -32.213 -17.724 -13.644 0.25 11.95 ? 116 GLU B C   1 
ATOM   972  O  O   A GLU A 1 110 ? -32.304 -16.942 -14.615 0.25 11.41 ? 116 GLU B O   1 
ATOM   973  O  O   B GLU A 1 110 ? -31.871 -16.760 -14.348 0.25 11.70 ? 116 GLU B O   1 
ATOM   974  C  CB  A GLU A 1 110 ? -34.649 -18.046 -12.817 0.25 13.67 ? 116 GLU B CB  1 
ATOM   975  C  CB  B GLU A 1 110 ? -34.643 -17.944 -13.069 0.25 14.63 ? 116 GLU B CB  1 
ATOM   976  C  CG  A GLU A 1 110 ? -35.597 -17.983 -11.632 0.25 15.06 ? 116 GLU B CG  1 
ATOM   977  C  CG  B GLU A 1 110 ? -35.775 -17.750 -12.068 0.25 16.71 ? 116 GLU B CG  1 
ATOM   978  C  CD  A GLU A 1 110 ? -37.040 -18.306 -11.983 0.25 16.56 ? 116 GLU B CD  1 
ATOM   979  C  CD  B GLU A 1 110 ? -35.970 -18.903 -11.095 0.25 18.32 ? 116 GLU B CD  1 
ATOM   980  O  OE1 A GLU A 1 110 ? -37.470 -17.962 -13.108 0.25 18.45 ? 116 GLU B OE1 1 
ATOM   981  O  OE1 B GLU A 1 110 ? -35.477 -20.004 -11.375 0.25 22.39 ? 116 GLU B OE1 1 
ATOM   982  O  OE2 A GLU A 1 110 ? -37.730 -18.918 -11.143 0.25 15.84 ? 116 GLU B OE2 1 
ATOM   983  O  OE2 B GLU A 1 110 ? -36.645 -18.700 -10.076 0.25 23.55 ? 116 GLU B OE2 1 
ATOM   984  N  N   . ALA A 1 111 ? -31.691 -18.949 -13.747 1.00 11.52 ? 117 ALA B N   1 
ATOM   985  C  CA  . ALA A 1 111 ? -30.950 -19.389 -14.932 1.00 12.32 ? 117 ALA B CA  1 
ATOM   986  C  C   . ALA A 1 111 ? -31.891 -20.119 -15.890 1.00 12.89 ? 117 ALA B C   1 
ATOM   987  O  O   . ALA A 1 111 ? -32.773 -20.917 -15.461 1.00 12.53 ? 117 ALA B O   1 
ATOM   988  C  CB  . ALA A 1 111 ? -29.784 -20.260 -14.533 1.00 12.82 ? 117 ALA B CB  1 
ATOM   989  N  N   . GLY A 1 112 ? -31.709 -19.851 -17.190 1.00 12.73 ? 118 GLY B N   1 
ATOM   990  C  CA  . GLY A 1 112 ? -32.506 -20.413 -18.290 1.00 13.45 ? 118 GLY B CA  1 
ATOM   991  C  C   . GLY A 1 112 ? -32.165 -21.862 -18.587 1.00 13.77 ? 118 GLY B C   1 
ATOM   992  O  O   . GLY A 1 112 ? -31.832 -22.210 -19.710 1.00 15.69 ? 118 GLY B O   1 
ATOM   993  N  N   . THR A 1 113 ? -32.184 -22.732 -17.596 1.00 16.36 ? 119 THR B N   1 
ATOM   994  C  CA  . THR A 1 113 ? -32.184 -24.180 -17.828 1.00 16.75 ? 119 THR B CA  1 
ATOM   995  C  C   . THR A 1 113 ? -33.615 -24.670 -18.082 1.00 16.90 ? 119 THR B C   1 
ATOM   996  O  O   . THR A 1 113 ? -34.536 -23.903 -17.876 1.00 20.62 ? 119 THR B O   1 
ATOM   997  C  CB  . THR A 1 113 ? -31.584 -24.821 -16.593 1.00 14.31 ? 119 THR B CB  1 
ATOM   998  O  OG1 . THR A 1 113 ? -32.231 -24.360 -15.397 1.00 15.09 ? 119 THR B OG1 1 
ATOM   999  C  CG2 . THR A 1 113 ? -30.118 -24.559 -16.433 1.00 15.71 ? 119 THR B CG2 1 
ATOM   1000 N  N   . SER A 1 114 ? -33.797 -25.955 -18.391 1.00 19.73 ? 120 SER B N   1 
ATOM   1001 C  CA  . SER A 1 114 ? -35.151 -26.522 -18.567 1.00 24.00 ? 120 SER B CA  1 
ATOM   1002 C  C   . SER A 1 114 ? -35.323 -27.726 -17.641 1.00 24.29 ? 120 SER B C   1 
ATOM   1003 O  O   . SER A 1 114 ? -34.666 -28.751 -17.814 1.00 26.06 ? 120 SER B O   1 
ATOM   1004 C  CB  . SER A 1 114 ? -35.397 -26.897 -20.009 1.00 29.70 ? 120 SER B CB  1 
ATOM   1005 O  OG  . SER A 1 114 ? -36.744 -27.329 -20.145 1.00 32.43 ? 120 SER B OG  1 
ATOM   1006 N  N   . PRO A 1 115 ? -36.077 -27.591 -16.541 1.00 23.27 ? 121 PRO B N   1 
ATOM   1007 C  CA  . PRO A 1 115 ? -36.732 -26.341 -16.165 1.00 23.22 ? 121 PRO B CA  1 
ATOM   1008 C  C   . PRO A 1 115 ? -35.760 -25.337 -15.524 1.00 19.25 ? 121 PRO B C   1 
ATOM   1009 O  O   . PRO A 1 115 ? -34.609 -25.694 -15.242 1.00 18.48 ? 121 PRO B O   1 
ATOM   1010 C  CB  . PRO A 1 115 ? -37.737 -26.781 -15.105 1.00 26.73 ? 121 PRO B CB  1 
ATOM   1011 C  CG  . PRO A 1 115 ? -37.082 -27.985 -14.454 1.00 26.77 ? 121 PRO B CG  1 
ATOM   1012 C  CD  . PRO A 1 115 ? -36.256 -28.658 -15.534 1.00 25.72 ? 121 PRO B CD  1 
ATOM   1013 N  N   . GLN A 1 116 ? -36.231 -24.117 -15.297 1.00 19.18 ? 122 GLN B N   1 
ATOM   1014 C  CA  . GLN A 1 116 ? -35.365 -23.005 -14.843 1.00 17.70 ? 122 GLN B CA  1 
ATOM   1015 C  C   . GLN A 1 116 ? -34.837 -23.271 -13.426 1.00 15.36 ? 122 GLN B C   1 
ATOM   1016 O  O   . GLN A 1 116 ? -35.471 -23.988 -12.644 1.00 16.79 ? 122 GLN B O   1 
ATOM   1017 C  CB  . GLN A 1 116 ? -36.044 -21.630 -14.910 1.00 22.37 ? 122 GLN B CB  1 
ATOM   1018 C  CG  . GLN A 1 116 ? -37.171 -21.379 -13.928 1.00 29.17 ? 122 GLN B CG  1 
ATOM   1019 C  CD  . GLN A 1 116 ? -38.519 -21.642 -14.552 1.00 38.55 ? 122 GLN B CD  1 
ATOM   1020 O  OE1 . GLN A 1 116 ? -38.669 -22.497 -15.428 1.00 44.51 ? 122 GLN B OE1 1 
ATOM   1021 N  NE2 . GLN A 1 116 ? -39.526 -20.941 -14.054 1.00 46.50 ? 122 GLN B NE2 1 
ATOM   1022 N  N   . THR A 1 117 ? -33.684 -22.688 -13.138 1.00 13.05 ? 123 THR B N   1 
ATOM   1023 C  CA  . THR A 1 117 ? -32.973 -22.863 -11.850 1.00 12.62 ? 123 THR B CA  1 
ATOM   1024 C  C   . THR A 1 117 ? -33.005 -21.565 -11.048 1.00 13.15 ? 123 THR B C   1 
ATOM   1025 O  O   . THR A 1 117 ? -32.541 -20.525 -11.554 1.00 14.11 ? 123 THR B O   1 
ATOM   1026 C  CB  . THR A 1 117 ? -31.545 -23.335 -12.123 1.00 12.83 ? 123 THR B CB  1 
ATOM   1027 O  OG1 . THR A 1 117 ? -31.609 -24.561 -12.844 1.00 13.53 ? 123 THR B OG1 1 
ATOM   1028 C  CG2 . THR A 1 117 ? -30.755 -23.502 -10.853 1.00 13.52 ? 123 THR B CG2 1 
ATOM   1029 N  N   . THR A 1 118 ? -33.378 -21.637 -9.764  1.00 13.88 ? 124 THR B N   1 
ATOM   1030 C  CA  . THR A 1 118 ? -33.326 -20.480 -8.859  1.00 13.76 ? 124 THR B CA  1 
ATOM   1031 C  C   . THR A 1 118 ? -31.897 -20.020 -8.612  1.00 13.23 ? 124 THR B C   1 
ATOM   1032 O  O   . THR A 1 118 ? -31.008 -20.872 -8.321  1.00 15.62 ? 124 THR B O   1 
ATOM   1033 C  CB  . THR A 1 118 ? -33.954 -20.909 -7.525  1.00 15.92 ? 124 THR B CB  1 
ATOM   1034 O  OG1 . THR A 1 118 ? -35.315 -21.236 -7.789  1.00 19.31 ? 124 THR B OG1 1 
ATOM   1035 C  CG2 . THR A 1 118 ? -33.804 -19.864 -6.449  1.00 20.53 ? 124 THR B CG2 1 
ATOM   1036 N  N   . LEU A 1 119 ? -31.627 -18.724 -8.684  1.00 12.04 ? 125 LEU B N   1 
ATOM   1037 C  CA  . LEU A 1 119 ? -30.305 -18.144 -8.386  1.00 12.00 ? 125 LEU B CA  1 
ATOM   1038 C  C   . LEU A 1 119 ? -30.389 -17.595 -6.959  1.00 14.19 ? 125 LEU B C   1 
ATOM   1039 O  O   . LEU A 1 119 ? -31.505 -17.283 -6.486  1.00 18.43 ? 125 LEU B O   1 
ATOM   1040 C  CB  . LEU A 1 119 ? -29.891 -17.070 -9.401  1.00 12.49 ? 125 LEU B CB  1 
ATOM   1041 C  CG  . LEU A 1 119 ? -29.817 -17.566 -10.845 1.00 12.22 ? 125 LEU B CG  1 
ATOM   1042 C  CD1 . LEU A 1 119 ? -29.583 -16.433 -11.841 1.00 13.27 ? 125 LEU B CD1 1 
ATOM   1043 C  CD2 . LEU A 1 119 ? -28.728 -18.612 -11.002 1.00 13.44 ? 125 LEU B CD2 1 
ATOM   1044 N  N   . HIS A 1 120 ? -29.252 -17.450 -6.324  1.00 14.00 ? 126 HIS B N   1 
ATOM   1045 C  CA  . HIS A 1 120 ? -29.142 -16.985 -4.919  1.00 13.55 ? 126 HIS B CA  1 
ATOM   1046 C  C   . HIS A 1 120 ? -28.297 -15.717 -4.942  1.00 15.54 ? 126 HIS B C   1 
ATOM   1047 O  O   . HIS A 1 120 ? -27.022 -15.810 -4.981  1.00 19.78 ? 126 HIS B O   1 
ATOM   1048 C  CB  . HIS A 1 120 ? -28.478 -18.078 -4.073  1.00 15.32 ? 126 HIS B CB  1 
ATOM   1049 C  CG  . HIS A 1 120 ? -29.260 -19.355 -4.034  1.00 17.22 ? 126 HIS B CG  1 
ATOM   1050 N  ND1 . HIS A 1 120 ? -28.992 -20.439 -4.861  1.00 19.83 ? 126 HIS B ND1 1 
ATOM   1051 C  CD2 . HIS A 1 120 ? -30.362 -19.683 -3.347  1.00 19.89 ? 126 HIS B CD2 1 
ATOM   1052 C  CE1 . HIS A 1 120 ? -29.910 -21.376 -4.636  1.00 21.16 ? 126 HIS B CE1 1 
ATOM   1053 N  NE2 . HIS A 1 120 ? -30.718 -20.957 -3.695  1.00 19.45 ? 126 HIS B NE2 1 
ATOM   1054 N  N   . ILE A 1 121 ? -28.914 -14.563 -4.993  1.00 17.94 ? 127 ILE B N   1 
ATOM   1055 C  CA  . ILE A 1 121 ? -28.202 -13.262 -5.111  1.00 21.46 ? 127 ILE B CA  1 
ATOM   1056 C  C   . ILE A 1 121 ? -28.601 -12.419 -3.876  1.00 20.03 ? 127 ILE B C   1 
ATOM   1057 O  O   . ILE A 1 121 ? -29.791 -12.194 -3.680  1.00 25.74 ? 127 ILE B O   1 
ATOM   1058 C  CB  . ILE A 1 121 ? -28.572 -12.590 -6.450  1.00 23.26 ? 127 ILE B CB  1 
ATOM   1059 C  CG1 . ILE A 1 121 ? -28.181 -13.476 -7.645  1.00 21.74 ? 127 ILE B CG1 1 
ATOM   1060 C  CG2 . ILE A 1 121 ? -27.934 -11.205 -6.503  1.00 26.68 ? 127 ILE B CG2 1 
ATOM   1061 C  CD1 . ILE A 1 121 ? -28.353 -12.841 -9.018  1.00 22.53 ? 127 ILE B CD1 1 
ATOM   1062 N  N   . GLN A 1 122 ? -27.639 -12.078 -3.044  1.00 25.63 ? 128 GLN B N   1 
ATOM   1063 C  CA  . GLN A 1 122 ? -27.864 -11.282 -1.802  1.00 26.86 ? 128 GLN B CA  1 
ATOM   1064 C  C   . GLN A 1 122 ? -27.846 -9.796  -2.157  1.00 24.99 ? 128 GLN B C   1 
ATOM   1065 O  O   . GLN A 1 122 ? -28.614 -9.044  -1.539  1.00 25.44 ? 128 GLN B O   1 
ATOM   1066 C  CB  . GLN A 1 122 ? -26.760 -11.622 -0.792  1.00 30.90 ? 128 GLN B CB  1 
ATOM   1067 C  CG  . GLN A 1 122 ? -26.790 -10.790 0.497   1.00 40.92 ? 128 GLN B CG  1 
ATOM   1068 C  CD  . GLN A 1 122 ? -28.017 -10.994 1.366   1.00 49.23 ? 128 GLN B CD  1 
ATOM   1069 O  OE1 . GLN A 1 122 ? -28.834 -11.894 1.154   1.00 52.23 ? 128 GLN B OE1 1 
ATOM   1070 N  NE2 . GLN A 1 122 ? -28.167 -10.132 2.363   1.00 53.63 ? 128 GLN B NE2 1 
ATOM   1071 N  N   . VAL A 1 123 ? -27.047 -9.415  -3.156  1.00 20.94 ? 129 VAL B N   1 
ATOM   1072 C  CA  . VAL A 1 123 ? -26.865 -7.982  -3.578  1.00 19.03 ? 129 VAL B CA  1 
ATOM   1073 C  C   . VAL A 1 123 ? -27.402 -7.784  -4.991  1.00 19.89 ? 129 VAL B C   1 
ATOM   1074 O  O   . VAL A 1 123 ? -26.759 -8.260  -5.928  1.00 17.98 ? 129 VAL B O   1 
ATOM   1075 C  CB  . VAL A 1 123 ? -25.395 -7.552  -3.519  1.00 20.46 ? 129 VAL B CB  1 
ATOM   1076 C  CG1 . VAL A 1 123 ? -25.174 -6.125  -4.029  1.00 21.07 ? 129 VAL B CG1 1 
ATOM   1077 C  CG2 . VAL A 1 123 ? -24.839 -7.703  -2.103  1.00 23.62 ? 129 VAL B CG2 1 
ATOM   1078 N  N   . PRO A 1 124 ? -28.630 -7.242  -5.180  1.00 18.56 ? 130 PRO B N   1 
ATOM   1079 C  CA  . PRO A 1 124 ? -29.215 -7.119  -6.519  1.00 18.59 ? 130 PRO B CA  1 
ATOM   1080 C  C   . PRO A 1 124 ? -28.216 -6.443  -7.440  1.00 17.48 ? 130 PRO B C   1 
ATOM   1081 O  O   . PRO A 1 124 ? -27.716 -5.364  -7.151  1.00 18.72 ? 130 PRO B O   1 
ATOM   1082 C  CB  . PRO A 1 124 ? -30.505 -6.301  -6.256  1.00 21.48 ? 130 PRO B CB  1 
ATOM   1083 C  CG  . PRO A 1 124 ? -30.879 -6.746  -4.826  1.00 21.13 ? 130 PRO B CG  1 
ATOM   1084 C  CD  . PRO A 1 124 ? -29.568 -6.822  -4.111  1.00 21.46 ? 130 PRO B CD  1 
ATOM   1085 N  N   . PRO A 1 125 ? -27.856 -7.041  -8.599  1.00 15.71 ? 131 PRO B N   1 
ATOM   1086 C  CA  . PRO A 1 125 ? -26.837 -6.460  -9.453  1.00 15.46 ? 131 PRO B CA  1 
ATOM   1087 C  C   . PRO A 1 125 ? -27.319 -5.230  -10.228 1.00 14.39 ? 131 PRO B C   1 
ATOM   1088 O  O   . PRO A 1 125 ? -28.455 -5.266  -10.704 1.00 15.47 ? 131 PRO B O   1 
ATOM   1089 C  CB  . PRO A 1 125 ? -26.408 -7.641  -10.356 1.00 16.35 ? 131 PRO B CB  1 
ATOM   1090 C  CG  . PRO A 1 125 ? -27.548 -8.581  -10.312 1.00 17.51 ? 131 PRO B CG  1 
ATOM   1091 C  CD  . PRO A 1 125 ? -28.186 -8.418  -8.967  1.00 15.60 ? 131 PRO B CD  1 
ATOM   1092 N  N   . CYS A 1 126 ? -26.449 -4.236  -10.343 1.00 15.23 ? 132 CYS B N   1 
ATOM   1093 C  CA  . CYS A 1 126 ? -26.655 -3.106  -11.293 1.00 15.81 ? 132 CYS B CA  1 
ATOM   1094 C  C   . CYS A 1 126 ? -25.881 -3.365  -12.590 1.00 14.99 ? 132 CYS B C   1 
ATOM   1095 O  O   . CYS A 1 126 ? -26.203 -2.798  -13.606 1.00 13.68 ? 132 CYS B O   1 
ATOM   1096 C  CB  . CYS A 1 126 ? -26.273 -1.749  -10.735 1.00 19.66 ? 132 CYS B CB  1 
ATOM   1097 S  SG  . CYS A 1 126 ? -27.264 -1.355  -9.268  1.00 25.93 ? 132 CYS B SG  1 
ATOM   1098 N  N   A GLN A 1 127 ? -24.813 -4.175  -12.549 0.25 14.70 ? 133 GLN B N   1 
ATOM   1099 N  N   B GLN A 1 127 ? -24.904 -4.274  -12.536 0.25 14.89 ? 133 GLN B N   1 
ATOM   1100 C  CA  A GLN A 1 127 ? -24.051 -4.579  -13.767 0.25 14.72 ? 133 GLN B CA  1 
ATOM   1101 C  CA  B GLN A 1 127 ? -24.032 -4.611  -13.688 0.25 15.38 ? 133 GLN B CA  1 
ATOM   1102 C  C   A GLN A 1 127 ? -23.709 -6.072  -13.667 0.25 14.31 ? 133 GLN B C   1 
ATOM   1103 C  C   B GLN A 1 127 ? -23.742 -6.115  -13.643 0.25 14.67 ? 133 GLN B C   1 
ATOM   1104 O  O   A GLN A 1 127 ? -23.383 -6.552  -12.562 0.25 13.29 ? 133 GLN B O   1 
ATOM   1105 O  O   B GLN A 1 127 ? -23.542 -6.664  -12.537 0.25 13.56 ? 133 GLN B O   1 
ATOM   1106 C  CB  A GLN A 1 127 ? -22.749 -3.795  -13.999 0.25 16.30 ? 133 GLN B CB  1 
ATOM   1107 C  CB  B GLN A 1 127 ? -22.748 -3.777  -13.672 0.25 17.75 ? 133 GLN B CB  1 
ATOM   1108 C  CG  A GLN A 1 127 ? -22.917 -2.308  -14.273 0.25 17.76 ? 133 GLN B CG  1 
ATOM   1109 C  CG  B GLN A 1 127 ? -22.988 -2.292  -13.877 0.25 19.81 ? 133 GLN B CG  1 
ATOM   1110 C  CD  A GLN A 1 127 ? -22.886 -1.523  -12.985 0.25 19.62 ? 133 GLN B CD  1 
ATOM   1111 C  CD  B GLN A 1 127 ? -21.733 -1.499  -14.144 0.25 20.92 ? 133 GLN B CD  1 
ATOM   1112 O  OE1 A GLN A 1 127 ? -22.209 -1.899  -12.030 0.25 19.86 ? 133 GLN B OE1 1 
ATOM   1113 O  OE1 B GLN A 1 127 ? -20.629 -2.029  -14.223 0.25 25.85 ? 133 GLN B OE1 1 
ATOM   1114 N  NE2 A GLN A 1 127 ? -23.648 -0.438  -12.940 0.25 19.57 ? 133 GLN B NE2 1 
ATOM   1115 N  NE2 B GLN A 1 127 ? -21.905 -0.202  -14.289 0.25 22.92 ? 133 GLN B NE2 1 
ATOM   1116 N  N   . ILE A 1 128 ? -23.782 -6.752  -14.815 1.00 13.24 ? 134 ILE B N   1 
ATOM   1117 C  CA  . ILE A 1 128 ? -23.622 -8.229  -14.959 1.00 12.74 ? 134 ILE B CA  1 
ATOM   1118 C  C   . ILE A 1 128 ? -22.392 -8.386  -15.856 1.00 14.33 ? 134 ILE B C   1 
ATOM   1119 O  O   . ILE A 1 128 ? -22.350 -7.818  -16.974 1.00 12.84 ? 134 ILE B O   1 
ATOM   1120 C  CB  . ILE A 1 128 ? -24.870 -8.862  -15.574 1.00 13.91 ? 134 ILE B CB  1 
ATOM   1121 C  CG1 . ILE A 1 128 ? -26.163 -8.688  -14.767 1.00 16.79 ? 134 ILE B CG1 1 
ATOM   1122 C  CG2 . ILE A 1 128 ? -24.578 -10.332 -15.859 1.00 14.10 ? 134 ILE B CG2 1 
ATOM   1123 C  CD1 . ILE A 1 128 ? -26.199 -9.404  -13.524 1.00 15.93 ? 134 ILE B CD1 1 
ATOM   1124 N  N   . GLY A 1 129 ? -21.460 -9.262  -15.480 1.00 14.56 ? 135 GLY B N   1 
ATOM   1125 C  CA  . GLY A 1 129 ? -20.378 -9.691  -16.375 1.00 13.96 ? 135 GLY B CA  1 
ATOM   1126 C  C   . GLY A 1 129 ? -20.659 -11.061 -16.957 1.00 13.23 ? 135 GLY B C   1 
ATOM   1127 O  O   . GLY A 1 129 ? -21.224 -11.916 -16.270 1.00 12.99 ? 135 GLY B O   1 
ATOM   1128 N  N   . ILE A 1 130 ? -20.445 -11.212 -18.269 1.00 12.61 ? 136 ILE B N   1 
ATOM   1129 C  CA  . ILE A 1 130 ? -20.700 -12.487 -18.993 1.00 12.58 ? 136 ILE B CA  1 
ATOM   1130 C  C   . ILE A 1 130 ? -19.371 -12.973 -19.579 1.00 13.78 ? 136 ILE B C   1 
ATOM   1131 O  O   . ILE A 1 130 ? -18.697 -12.206 -20.246 1.00 13.40 ? 136 ILE B O   1 
ATOM   1132 C  CB  . ILE A 1 130 ? -21.736 -12.255 -20.105 1.00 14.05 ? 136 ILE B CB  1 
ATOM   1133 C  CG1 . ILE A 1 130 ? -23.032 -11.743 -19.491 1.00 15.67 ? 136 ILE B CG1 1 
ATOM   1134 C  CG2 . ILE A 1 130 ? -21.948 -13.495 -20.953 1.00 14.51 ? 136 ILE B CG2 1 
ATOM   1135 C  CD1 . ILE A 1 130 ? -24.059 -11.342 -20.453 1.00 19.05 ? 136 ILE B CD1 1 
ATOM   1136 N  N   . PHE A 1 131 ? -19.012 -14.201 -19.257 1.00 12.91 ? 137 PHE B N   1 
ATOM   1137 C  CA  . PHE A 1 131 ? -17.753 -14.849 -19.699 1.00 13.14 ? 137 PHE B CA  1 
ATOM   1138 C  C   . PHE A 1 131 ? -18.104 -16.104 -20.480 1.00 12.04 ? 137 PHE B C   1 
ATOM   1139 O  O   . PHE A 1 131 ? -18.898 -16.944 -20.027 1.00 13.03 ? 137 PHE B O   1 
ATOM   1140 C  CB  . PHE A 1 131 ? -16.904 -15.260 -18.499 1.00 14.71 ? 137 PHE B CB  1 
ATOM   1141 C  CG  . PHE A 1 131 ? -15.645 -16.014 -18.877 1.00 14.82 ? 137 PHE B CG  1 
ATOM   1142 C  CD1 . PHE A 1 131 ? -14.628 -15.392 -19.597 1.00 16.54 ? 137 PHE B CD1 1 
ATOM   1143 C  CD2 . PHE A 1 131 ? -15.475 -17.337 -18.515 1.00 15.44 ? 137 PHE B CD2 1 
ATOM   1144 C  CE1 . PHE A 1 131 ? -13.456 -16.088 -19.897 1.00 19.29 ? 137 PHE B CE1 1 
ATOM   1145 C  CE2 . PHE A 1 131 ? -14.325 -18.043 -18.854 1.00 17.59 ? 137 PHE B CE2 1 
ATOM   1146 C  CZ  . PHE A 1 131 ? -13.322 -17.412 -19.527 1.00 16.08 ? 137 PHE B CZ  1 
ATOM   1147 N  N   . VAL A 1 132 ? -17.552 -16.194 -21.696 1.00 12.20 ? 138 VAL B N   1 
ATOM   1148 C  CA  . VAL A 1 132 ? -17.717 -17.380 -22.572 1.00 12.60 ? 138 VAL B CA  1 
ATOM   1149 C  C   . VAL A 1 132 ? -16.340 -17.966 -22.883 1.00 11.63 ? 138 VAL B C   1 
ATOM   1150 O  O   . VAL A 1 132 ? -15.440 -17.265 -23.376 1.00 13.57 ? 138 VAL B O   1 
ATOM   1151 C  CB  . VAL A 1 132 ? -18.455 -17.046 -23.873 1.00 13.16 ? 138 VAL B CB  1 
ATOM   1152 C  CG1 . VAL A 1 132 ? -18.570 -18.302 -24.751 1.00 14.10 ? 138 VAL B CG1 1 
ATOM   1153 C  CG2 . VAL A 1 132 ? -19.808 -16.430 -23.562 1.00 14.29 ? 138 VAL B CG2 1 
ATOM   1154 N  N   . ASP A 1 133 ? -16.180 -19.252 -22.552 1.00 12.33 ? 139 ASP B N   1 
ATOM   1155 C  CA  . ASP A 1 133 ? -14.995 -20.052 -22.988 1.00 14.86 ? 139 ASP B CA  1 
ATOM   1156 C  C   . ASP A 1 133 ? -15.504 -21.058 -24.018 1.00 13.09 ? 139 ASP B C   1 
ATOM   1157 O  O   . ASP A 1 133 ? -16.155 -22.061 -23.662 1.00 13.12 ? 139 ASP B O   1 
ATOM   1158 C  CB  . ASP A 1 133 ? -14.259 -20.629 -21.808 1.00 13.95 ? 139 ASP B CB  1 
ATOM   1159 C  CG  . ASP A 1 133 ? -12.985 -21.382 -22.193 1.00 16.83 ? 139 ASP B CG  1 
ATOM   1160 O  OD1 . ASP A 1 133 ? -12.890 -21.853 -23.382 1.00 17.19 ? 139 ASP B OD1 1 
ATOM   1161 O  OD2 . ASP A 1 133 ? -12.172 -21.554 -21.240 1.00 20.96 ? 139 ASP B OD2 1 
ATOM   1162 N  N   . TYR A 1 134 ? -15.276 -20.752 -25.300 1.00 13.67 ? 140 TYR B N   1 
ATOM   1163 C  CA  . TYR A 1 134 ? -15.831 -21.577 -26.391 1.00 12.97 ? 140 TYR B CA  1 
ATOM   1164 C  C   . TYR A 1 134 ? -15.295 -23.024 -26.325 1.00 14.37 ? 140 TYR B C   1 
ATOM   1165 O  O   . TYR A 1 134 ? -16.054 -23.954 -26.291 1.00 15.58 ? 140 TYR B O   1 
ATOM   1166 C  CB  . TYR A 1 134 ? -15.568 -20.963 -27.769 1.00 13.73 ? 140 TYR B CB  1 
ATOM   1167 C  CG  . TYR A 1 134 ? -16.520 -21.536 -28.797 1.00 13.90 ? 140 TYR B CG  1 
ATOM   1168 C  CD1 . TYR A 1 134 ? -16.359 -22.823 -29.294 1.00 14.33 ? 140 TYR B CD1 1 
ATOM   1169 C  CD2 . TYR A 1 134 ? -17.661 -20.862 -29.204 1.00 14.00 ? 140 TYR B CD2 1 
ATOM   1170 C  CE1 . TYR A 1 134 ? -17.247 -23.392 -30.179 1.00 14.69 ? 140 TYR B CE1 1 
ATOM   1171 C  CE2 . TYR A 1 134 ? -18.571 -21.421 -30.090 1.00 12.91 ? 140 TYR B CE2 1 
ATOM   1172 C  CZ  . TYR A 1 134 ? -18.369 -22.700 -30.602 1.00 13.38 ? 140 TYR B CZ  1 
ATOM   1173 O  OH  . TYR A 1 134 ? -19.284 -23.268 -31.450 1.00 14.26 ? 140 TYR B OH  1 
ATOM   1174 N  N   . GLU A 1 135 ? -13.989 -23.151 -26.173 1.00 15.70 ? 141 GLU B N   1 
ATOM   1175 C  CA  . GLU A 1 135 ? -13.374 -24.506 -26.232 1.00 16.86 ? 141 GLU B CA  1 
ATOM   1176 C  C   . GLU A 1 135 ? -13.821 -25.308 -25.026 1.00 16.62 ? 141 GLU B C   1 
ATOM   1177 O  O   . GLU A 1 135 ? -14.116 -26.499 -25.198 1.00 19.56 ? 141 GLU B O   1 
ATOM   1178 C  CB  . GLU A 1 135 ? -11.855 -24.377 -26.315 1.00 18.71 ? 141 GLU B CB  1 
ATOM   1179 C  CG  . GLU A 1 135 ? -11.380 -24.154 -27.754 1.00 25.10 ? 141 GLU B CG  1 
ATOM   1180 C  CD  . GLU A 1 135 ? -11.822 -22.872 -28.367 1.00 29.43 ? 141 GLU B CD  1 
ATOM   1181 O  OE1 . GLU A 1 135 ? -12.125 -22.877 -29.542 1.00 25.74 ? 141 GLU B OE1 1 
ATOM   1182 O  OE2 . GLU A 1 135 ? -11.878 -21.861 -27.624 1.00 33.18 ? 141 GLU B OE2 1 
ATOM   1183 N  N   . ALA A 1 136 ? -13.892 -24.705 -23.840 1.00 15.42 ? 142 ALA B N   1 
ATOM   1184 C  CA  . ALA A 1 136 ? -14.254 -25.414 -22.605 1.00 16.26 ? 142 ALA B CA  1 
ATOM   1185 C  C   . ALA A 1 136 ? -15.757 -25.720 -22.541 1.00 15.77 ? 142 ALA B C   1 
ATOM   1186 O  O   . ALA A 1 136 ? -16.158 -26.568 -21.722 1.00 17.26 ? 142 ALA B O   1 
ATOM   1187 C  CB  . ALA A 1 136 ? -13.826 -24.602 -21.413 1.00 17.33 ? 142 ALA B CB  1 
ATOM   1188 N  N   . GLY A 1 137 ? -16.608 -25.047 -23.323 1.00 13.42 ? 143 GLY B N   1 
ATOM   1189 C  CA  . GLY A 1 137 ? -18.046 -25.227 -23.231 1.00 12.68 ? 143 GLY B CA  1 
ATOM   1190 C  C   . GLY A 1 137 ? -18.587 -24.599 -21.939 1.00 12.71 ? 143 GLY B C   1 
ATOM   1191 O  O   . GLY A 1 137 ? -19.402 -25.264 -21.272 1.00 14.01 ? 143 GLY B O   1 
ATOM   1192 N  N   . VAL A 1 138 ? -18.207 -23.348 -21.659 1.00 12.72 ? 144 VAL B N   1 
ATOM   1193 C  CA  . VAL A 1 138 ? -18.564 -22.658 -20.383 1.00 12.21 ? 144 VAL B CA  1 
ATOM   1194 C  C   . VAL A 1 138 ? -19.168 -21.288 -20.682 1.00 12.08 ? 144 VAL B C   1 
ATOM   1195 O  O   . VAL A 1 138 ? -18.604 -20.520 -21.482 1.00 13.23 ? 144 VAL B O   1 
ATOM   1196 C  CB  . VAL A 1 138 ? -17.320 -22.502 -19.496 1.00 13.61 ? 144 VAL B CB  1 
ATOM   1197 C  CG1 . VAL A 1 138 ? -17.613 -21.553 -18.331 1.00 14.97 ? 144 VAL B CG1 1 
ATOM   1198 C  CG2 . VAL A 1 138 ? -16.888 -23.880 -19.000 1.00 14.57 ? 144 VAL B CG2 1 
ATOM   1199 N  N   . VAL A 1 139 ? -20.287 -20.986 -20.027 1.00 11.24 ? 145 VAL B N   1 
ATOM   1200 C  CA  . VAL A 1 139 ? -20.826 -19.596 -19.961 1.00 10.94 ? 145 VAL B CA  1 
ATOM   1201 C  C   . VAL A 1 139 ? -21.012 -19.266 -18.471 1.00 10.81 ? 145 VAL B C   1 
ATOM   1202 O  O   . VAL A 1 139 ? -21.812 -19.978 -17.789 1.00 11.46 ? 145 VAL B O   1 
ATOM   1203 C  CB  . VAL A 1 139 ? -22.166 -19.470 -20.707 1.00 11.39 ? 145 VAL B CB  1 
ATOM   1204 C  CG1 . VAL A 1 139 ? -22.638 -18.006 -20.682 1.00 11.19 ? 145 VAL B CG1 1 
ATOM   1205 C  CG2 . VAL A 1 139 ? -22.046 -19.966 -22.126 1.00 11.51 ? 145 VAL B CG2 1 
ATOM   1206 N  N   . SER A 1 140 ? -20.395 -18.191 -18.001 1.00 10.68 ? 146 SER B N   1 
ATOM   1207 C  CA  . SER A 1 140 ? -20.508 -17.797 -16.583 1.00 11.33 ? 146 SER B CA  1 
ATOM   1208 C  C   . SER A 1 140 ? -20.975 -16.343 -16.487 1.00 11.03 ? 146 SER B C   1 
ATOM   1209 O  O   . SER A 1 140 ? -20.653 -15.507 -17.335 1.00 11.96 ? 146 SER B O   1 
ATOM   1210 C  CB  . SER A 1 140 ? -19.161 -17.966 -15.912 1.00 11.73 ? 146 SER B CB  1 
ATOM   1211 O  OG  . SER A 1 140 ? -18.807 -19.347 -15.780 1.00 12.58 ? 146 SER B OG  1 
ATOM   1212 N  N   . PHE A 1 141 ? -21.657 -16.074 -15.385 1.00 11.04 ? 147 PHE B N   1 
ATOM   1213 C  CA  . PHE A 1 141 ? -22.263 -14.764 -15.079 1.00 10.40 ? 147 PHE B CA  1 
ATOM   1214 C  C   . PHE A 1 141 ? -21.731 -14.300 -13.733 1.00 11.53 ? 147 PHE B C   1 
ATOM   1215 O  O   . PHE A 1 141 ? -21.761 -15.095 -12.751 1.00 12.22 ? 147 PHE B O   1 
ATOM   1216 C  CB  . PHE A 1 141 ? -23.796 -14.877 -15.069 1.00 10.77 ? 147 PHE B CB  1 
ATOM   1217 C  CG  . PHE A 1 141 ? -24.383 -15.271 -16.395 1.00 10.56 ? 147 PHE B CG  1 
ATOM   1218 C  CD1 . PHE A 1 141 ? -24.487 -16.623 -16.759 1.00 10.32 ? 147 PHE B CD1 1 
ATOM   1219 C  CD2 . PHE A 1 141 ? -24.873 -14.298 -17.258 1.00 11.03 ? 147 PHE B CD2 1 
ATOM   1220 C  CE1 . PHE A 1 141 ? -24.975 -16.948 -18.015 1.00 10.59 ? 147 PHE B CE1 1 
ATOM   1221 C  CE2 . PHE A 1 141 ? -25.370 -14.652 -18.517 1.00 9.90  ? 147 PHE B CE2 1 
ATOM   1222 C  CZ  . PHE A 1 141 ? -25.454 -15.976 -18.873 1.00 10.33 ? 147 PHE B CZ  1 
ATOM   1223 N  N   . TYR A 1 142 ? -21.400 -13.018 -13.666 1.00 11.69 ? 148 TYR B N   1 
ATOM   1224 C  CA  . TYR A 1 142 ? -20.740 -12.410 -12.485 1.00 12.56 ? 148 TYR B CA  1 
ATOM   1225 C  C   . TYR A 1 142 ? -21.518 -11.154 -12.063 1.00 13.41 ? 148 TYR B C   1 
ATOM   1226 O  O   . TYR A 1 142 ? -21.995 -10.363 -12.845 1.00 13.62 ? 148 TYR B O   1 
ATOM   1227 C  CB  . TYR A 1 142 ? -19.262 -12.135 -12.730 1.00 13.00 ? 148 TYR B CB  1 
ATOM   1228 C  CG  . TYR A 1 142 ? -18.480 -13.384 -13.018 1.00 13.02 ? 148 TYR B CG  1 
ATOM   1229 C  CD1 . TYR A 1 142 ? -17.967 -14.141 -11.999 1.00 14.44 ? 148 TYR B CD1 1 
ATOM   1230 C  CD2 . TYR A 1 142 ? -18.271 -13.824 -14.310 1.00 14.19 ? 148 TYR B CD2 1 
ATOM   1231 C  CE1 . TYR A 1 142 ? -17.317 -15.336 -12.257 1.00 14.24 ? 148 TYR B CE1 1 
ATOM   1232 C  CE2 . TYR A 1 142 ? -17.593 -15.001 -14.593 1.00 14.44 ? 148 TYR B CE2 1 
ATOM   1233 C  CZ  . TYR A 1 142 ? -17.056 -15.739 -13.559 1.00 13.73 ? 148 TYR B CZ  1 
ATOM   1234 O  OH  . TYR A 1 142 ? -16.421 -16.941 -13.815 1.00 16.41 ? 148 TYR B OH  1 
ATOM   1235 N  N   . ASN A 1 143 ? -21.594 -10.945 -10.749 1.00 13.83 ? 149 ASN B N   1 
ATOM   1236 C  CA  . ASN A 1 143 ? -22.275 -9.767  -10.122 1.00 13.89 ? 149 ASN B CA  1 
ATOM   1237 C  C   . ASN A 1 143 ? -21.219 -8.674  -9.936  1.00 14.29 ? 149 ASN B C   1 
ATOM   1238 O  O   . ASN A 1 143 ? -20.473 -8.691  -8.918  1.00 15.34 ? 149 ASN B O   1 
ATOM   1239 C  CB  . ASN A 1 143 ? -22.905 -10.230 -8.806  1.00 14.18 ? 149 ASN B CB  1 
ATOM   1240 C  CG  . ASN A 1 143 ? -23.700 -9.144  -8.105  1.00 14.00 ? 149 ASN B CG  1 
ATOM   1241 O  OD1 . ASN A 1 143 ? -23.540 -7.969  -8.472  1.00 15.78 ? 149 ASN B OD1 1 
ATOM   1242 N  ND2 . ASN A 1 143 ? -24.608 -9.538  -7.239  1.00 14.88 ? 149 ASN B ND2 1 
ATOM   1243 N  N   . ILE A 1 144 ? -21.181 -7.662  -10.794 1.00 14.55 ? 150 ILE B N   1 
ATOM   1244 C  CA  . ILE A 1 144 ? -20.093 -6.651  -10.780 1.00 16.51 ? 150 ILE B CA  1 
ATOM   1245 C  C   . ILE A 1 144 ? -20.329 -5.762  -9.532  1.00 17.23 ? 150 ILE B C   1 
ATOM   1246 O  O   . ILE A 1 144 ? -19.330 -5.299  -8.924  1.00 18.74 ? 150 ILE B O   1 
ATOM   1247 C  CB  . ILE A 1 144 ? -20.064 -5.866  -12.089 1.00 17.85 ? 150 ILE B CB  1 
ATOM   1248 C  CG1 . ILE A 1 144 ? -19.913 -6.754  -13.321 1.00 18.18 ? 150 ILE B CG1 1 
ATOM   1249 C  CG2 . ILE A 1 144 ? -19.001 -4.773  -12.075 1.00 19.54 ? 150 ILE B CG2 1 
ATOM   1250 C  CD1 . ILE A 1 144 ? -18.836 -7.807  -13.177 1.00 21.92 ? 150 ILE B CD1 1 
ATOM   1251 N  N   . THR A 1 145 ? -21.584 -5.569  -9.144  1.00 17.12 ? 151 THR B N   1 
ATOM   1252 C  CA  . THR A 1 145 ? -21.959 -4.727  -7.964  1.00 17.38 ? 151 THR B CA  1 
ATOM   1253 C  C   . THR A 1 145 ? -21.422 -5.356  -6.677  1.00 20.82 ? 151 THR B C   1 
ATOM   1254 O  O   . THR A 1 145 ? -21.031 -4.598  -5.768  1.00 23.94 ? 151 THR B O   1 
ATOM   1255 C  CB  . THR A 1 145 ? -23.492 -4.598  -7.875  1.00 16.94 ? 151 THR B CB  1 
ATOM   1256 O  OG1 . THR A 1 145 ? -23.920 -4.155  -9.165  1.00 16.81 ? 151 THR B OG1 1 
ATOM   1257 C  CG2 . THR A 1 145 ? -23.916 -3.622  -6.803  1.00 19.80 ? 151 THR B CG2 1 
ATOM   1258 N  N   . ASP A 1 146 ? -21.335 -6.686  -6.616  1.00 19.25 ? 152 ASP B N   1 
ATOM   1259 C  CA  . ASP A 1 146 ? -20.834 -7.457  -5.439  1.00 20.09 ? 152 ASP B CA  1 
ATOM   1260 C  C   . ASP A 1 146 ? -19.418 -7.996  -5.727  1.00 20.07 ? 152 ASP B C   1 
ATOM   1261 O  O   . ASP A 1 146 ? -19.190 -9.208  -5.541  1.00 20.73 ? 152 ASP B O   1 
ATOM   1262 C  CB  . ASP A 1 146 ? -21.872 -8.486  -5.064  1.00 18.64 ? 152 ASP B CB  1 
ATOM   1263 C  CG  . ASP A 1 146 ? -21.513 -9.270  -3.824  1.00 24.55 ? 152 ASP B CG  1 
ATOM   1264 O  OD1 . ASP A 1 146 ? -21.030 -8.642  -2.847  1.00 23.37 ? 152 ASP B OD1 1 
ATOM   1265 O  OD2 . ASP A 1 146 ? -21.671 -10.500 -3.868  1.00 23.29 ? 152 ASP B OD2 1 
ATOM   1266 N  N   . HIS A 1 147 ? -18.499 -7.128  -6.131  1.00 21.70 ? 153 HIS B N   1 
ATOM   1267 C  CA  . HIS A 1 147 ? -17.046 -7.436  -6.247  1.00 26.07 ? 153 HIS B CA  1 
ATOM   1268 C  C   . HIS A 1 147 ? -16.872 -8.648  -7.171  1.00 23.97 ? 153 HIS B C   1 
ATOM   1269 O  O   . HIS A 1 147 ? -15.964 -9.449  -6.961  1.00 26.66 ? 153 HIS B O   1 
ATOM   1270 C  CB  . HIS A 1 147 ? -16.423 -7.780  -4.881  1.00 31.37 ? 153 HIS B CB  1 
ATOM   1271 C  CG  . HIS A 1 147 ? -16.731 -6.872  -3.727  1.00 38.56 ? 153 HIS B CG  1 
ATOM   1272 N  ND1 . HIS A 1 147 ? -16.160 -5.611  -3.592  1.00 46.63 ? 153 HIS B ND1 1 
ATOM   1273 C  CD2 . HIS A 1 147 ? -17.476 -7.071  -2.615  1.00 43.80 ? 153 HIS B CD2 1 
ATOM   1274 C  CE1 . HIS A 1 147 ? -16.581 -5.053  -2.470  1.00 48.73 ? 153 HIS B CE1 1 
ATOM   1275 N  NE2 . HIS A 1 147 ? -17.390 -5.934  -1.844  1.00 46.49 ? 153 HIS B NE2 1 
ATOM   1276 N  N   . GLY A 1 148 ? -17.733 -8.816  -8.172  1.00 19.79 ? 154 GLY B N   1 
ATOM   1277 C  CA  . GLY A 1 148 ? -17.500 -9.847  -9.204  1.00 17.45 ? 154 GLY B CA  1 
ATOM   1278 C  C   . GLY A 1 148 ? -17.943 -11.232 -8.779  1.00 16.41 ? 154 GLY B C   1 
ATOM   1279 O  O   . GLY A 1 148 ? -17.403 -12.157 -9.357  1.00 17.20 ? 154 GLY B O   1 
ATOM   1280 N  N   . SER A 1 149 ? -18.770 -11.380 -7.738  1.00 16.05 ? 155 SER B N   1 
ATOM   1281 C  CA  . SER A 1 149 ? -19.143 -12.715 -7.199  1.00 15.13 ? 155 SER B CA  1 
ATOM   1282 C  C   . SER A 1 149 ? -19.832 -13.556 -8.275  1.00 15.33 ? 155 SER B C   1 
ATOM   1283 O  O   . SER A 1 149 ? -20.599 -13.033 -9.101  1.00 15.27 ? 155 SER B O   1 
ATOM   1284 C  CB  . SER A 1 149 ? -20.023 -12.647 -5.967  1.00 16.59 ? 155 SER B CB  1 
ATOM   1285 O  OG  . SER A 1 149 ? -21.179 -11.845 -6.148  1.00 17.58 ? 155 SER B OG  1 
ATOM   1286 N  N   . LEU A 1 150 ? -19.612 -14.850 -8.281  1.00 14.05 ? 156 LEU B N   1 
ATOM   1287 C  CA  . LEU A 1 150 ? -20.295 -15.737 -9.262  1.00 13.17 ? 156 LEU B CA  1 
ATOM   1288 C  C   . LEU A 1 150 ? -21.797 -15.785 -9.035  1.00 12.80 ? 156 LEU B C   1 
ATOM   1289 O  O   . LEU A 1 150 ? -22.274 -16.011 -7.905  1.00 13.57 ? 156 LEU B O   1 
ATOM   1290 C  CB  . LEU A 1 150 ? -19.717 -17.161 -9.149  1.00 13.24 ? 156 LEU B CB  1 
ATOM   1291 C  CG  . LEU A 1 150 ? -20.251 -18.201 -10.136 1.00 13.38 ? 156 LEU B CG  1 
ATOM   1292 C  CD1 . LEU A 1 150 ? -19.870 -17.944 -11.580 1.00 13.38 ? 156 LEU B CD1 1 
ATOM   1293 C  CD2 . LEU A 1 150 ? -19.727 -19.609 -9.740  1.00 14.53 ? 156 LEU B CD2 1 
ATOM   1294 N  N   . ILE A 1 151 ? -22.547 -15.683 -10.129 1.00 10.87 ? 157 ILE B N   1 
ATOM   1295 C  CA  . ILE A 1 151 ? -23.999 -15.899 -10.176 1.00 12.23 ? 157 ILE B CA  1 
ATOM   1296 C  C   . ILE A 1 151 ? -24.300 -17.336 -10.614 1.00 12.21 ? 157 ILE B C   1 
ATOM   1297 O  O   . ILE A 1 151 ? -25.173 -17.989 -10.032 1.00 12.02 ? 157 ILE B O   1 
ATOM   1298 C  CB  . ILE A 1 151 ? -24.666 -14.805 -11.045 1.00 12.41 ? 157 ILE B CB  1 
ATOM   1299 C  CG1 . ILE A 1 151 ? -24.501 -13.418 -10.445 1.00 12.31 ? 157 ILE B CG1 1 
ATOM   1300 C  CG2 . ILE A 1 151 ? -26.145 -15.110 -11.230 1.00 12.70 ? 157 ILE B CG2 1 
ATOM   1301 C  CD1 . ILE A 1 151 ? -24.936 -12.291 -11.348 1.00 13.23 ? 157 ILE B CD1 1 
ATOM   1302 N  N   . TYR A 1 152 ? -23.797 -17.707 -11.795 1.00 11.80 ? 158 TYR B N   1 
ATOM   1303 C  CA  . TYR A 1 152 ? -24.152 -19.019 -12.381 1.00 10.86 ? 158 TYR B CA  1 
ATOM   1304 C  C   . TYR A 1 152 ? -23.111 -19.381 -13.433 1.00 10.86 ? 158 TYR B C   1 
ATOM   1305 O  O   . TYR A 1 152 ? -22.612 -18.518 -14.163 1.00 11.37 ? 158 TYR B O   1 
ATOM   1306 C  CB  . TYR A 1 152 ? -25.526 -18.940 -13.097 1.00 11.43 ? 158 TYR B CB  1 
ATOM   1307 C  CG  . TYR A 1 152 ? -26.078 -20.288 -13.457 1.00 11.37 ? 158 TYR B CG  1 
ATOM   1308 C  CD1 . TYR A 1 152 ? -26.726 -21.068 -12.512 1.00 12.41 ? 158 TYR B CD1 1 
ATOM   1309 C  CD2 . TYR A 1 152 ? -25.938 -20.804 -14.733 1.00 11.17 ? 158 TYR B CD2 1 
ATOM   1310 C  CE1 . TYR A 1 152 ? -27.154 -22.350 -12.819 1.00 12.39 ? 158 TYR B CE1 1 
ATOM   1311 C  CE2 . TYR A 1 152 ? -26.381 -22.078 -15.057 1.00 11.45 ? 158 TYR B CE2 1 
ATOM   1312 C  CZ  . TYR A 1 152 ? -27.034 -22.829 -14.108 1.00 12.36 ? 158 TYR B CZ  1 
ATOM   1313 O  OH  . TYR A 1 152 ? -27.418 -24.116 -14.348 1.00 14.54 ? 158 TYR B OH  1 
ATOM   1314 N  N   . THR A 1 153 ? -22.861 -20.691 -13.514 1.00 11.31 ? 159 THR B N   1 
ATOM   1315 C  CA  . THR A 1 153 ? -22.018 -21.304 -14.581 1.00 12.61 ? 159 THR B CA  1 
ATOM   1316 C  C   . THR A 1 153 ? -22.802 -22.409 -15.288 1.00 12.10 ? 159 THR B C   1 
ATOM   1317 O  O   . THR A 1 153 ? -23.174 -23.421 -14.669 1.00 12.63 ? 159 THR B O   1 
ATOM   1318 C  CB  . THR A 1 153 ? -20.696 -21.852 -14.011 1.00 13.23 ? 159 THR B CB  1 
ATOM   1319 O  OG1 . THR A 1 153 ? -19.890 -20.751 -13.609 1.00 12.57 ? 159 THR B OG1 1 
ATOM   1320 C  CG2 . THR A 1 153 ? -19.950 -22.693 -15.030 1.00 14.15 ? 159 THR B CG2 1 
ATOM   1321 N  N   . PHE A 1 154 ? -22.984 -22.245 -16.612 1.00 11.99 ? 160 PHE B N   1 
ATOM   1322 C  CA  . PHE A 1 154 ? -23.379 -23.345 -17.516 1.00 11.82 ? 160 PHE B CA  1 
ATOM   1323 C  C   . PHE A 1 154 ? -22.083 -24.033 -17.943 1.00 12.56 ? 160 PHE B C   1 
ATOM   1324 O  O   . PHE A 1 154 ? -21.196 -23.395 -18.497 1.00 12.48 ? 160 PHE B O   1 
ATOM   1325 C  CB  . PHE A 1 154 ? -24.049 -22.824 -18.789 1.00 12.60 ? 160 PHE B CB  1 
ATOM   1326 C  CG  . PHE A 1 154 ? -25.415 -22.221 -18.608 1.00 10.78 ? 160 PHE B CG  1 
ATOM   1327 C  CD1 . PHE A 1 154 ? -25.563 -20.861 -18.368 1.00 10.63 ? 160 PHE B CD1 1 
ATOM   1328 C  CD2 . PHE A 1 154 ? -26.547 -22.964 -18.844 1.00 11.13 ? 160 PHE B CD2 1 
ATOM   1329 C  CE1 . PHE A 1 154 ? -26.840 -20.328 -18.284 1.00 11.58 ? 160 PHE B CE1 1 
ATOM   1330 C  CE2 . PHE A 1 154 ? -27.820 -22.433 -18.729 1.00 10.95 ? 160 PHE B CE2 1 
ATOM   1331 C  CZ  . PHE A 1 154 ? -27.956 -21.098 -18.457 1.00 9.76  ? 160 PHE B CZ  1 
ATOM   1332 N  N   . SER A 1 155 ? -22.002 -25.336 -17.693 1.00 13.96 ? 161 SER B N   1 
ATOM   1333 C  CA  . SER A 1 155 ? -20.842 -26.115 -18.140 1.00 15.76 ? 161 SER B CA  1 
ATOM   1334 C  C   . SER A 1 155 ? -21.342 -27.269 -19.005 1.00 14.60 ? 161 SER B C   1 
ATOM   1335 O  O   . SER A 1 155 ? -22.571 -27.521 -19.080 1.00 15.66 ? 161 SER B O   1 
ATOM   1336 C  CB  . SER A 1 155 ? -20.031 -26.527 -16.936 1.00 17.25 ? 161 SER B CB  1 
ATOM   1337 O  OG  . SER A 1 155 ? -20.716 -27.505 -16.216 1.00 20.43 ? 161 SER B OG  1 
ATOM   1338 N  N   . GLU A 1 156 ? -20.393 -27.925 -19.695 1.00 17.92 ? 162 GLU B N   1 
ATOM   1339 C  CA  . GLU A 1 156 ? -20.711 -28.988 -20.678 1.00 19.41 ? 162 GLU B CA  1 
ATOM   1340 C  C   . GLU A 1 156 ? -21.658 -28.428 -21.752 1.00 16.84 ? 162 GLU B C   1 
ATOM   1341 O  O   . GLU A 1 156 ? -22.604 -29.140 -22.194 1.00 18.48 ? 162 GLU B O   1 
ATOM   1342 C  CB  . GLU A 1 156 ? -21.350 -30.212 -20.025 1.00 22.92 ? 162 GLU B CB  1 
ATOM   1343 C  CG  . GLU A 1 156 ? -20.731 -30.650 -18.722 1.00 28.95 ? 162 GLU B CG  1 
ATOM   1344 C  CD  . GLU A 1 156 ? -21.332 -31.972 -18.290 1.00 40.23 ? 162 GLU B CD  1 
ATOM   1345 O  OE1 . GLU A 1 156 ? -22.416 -31.969 -17.654 1.00 43.58 ? 162 GLU B OE1 1 
ATOM   1346 O  OE2 . GLU A 1 156 ? -20.761 -33.001 -18.672 1.00 48.39 ? 162 GLU B OE2 1 
ATOM   1347 N  N   . CYS A 1 157 ? -21.484 -27.152 -22.124 1.00 16.12 ? 163 CYS B N   1 
ATOM   1348 C  CA  . CYS A 1 157 ? -22.366 -26.525 -23.126 1.00 14.79 ? 163 CYS B CA  1 
ATOM   1349 C  C   . CYS A 1 157 ? -22.120 -27.144 -24.506 1.00 15.74 ? 163 CYS B C   1 
ATOM   1350 O  O   . CYS A 1 157 ? -20.915 -27.381 -24.840 1.00 18.11 ? 163 CYS B O   1 
ATOM   1351 C  CB  . CYS A 1 157 ? -22.195 -25.019 -23.258 1.00 14.76 ? 163 CYS B CB  1 
ATOM   1352 S  SG  . CYS A 1 157 ? -22.556 -24.081 -21.741 1.00 14.56 ? 163 CYS B SG  1 
ATOM   1353 N  N   . VAL A 1 158 ? -23.193 -27.374 -25.236 1.00 15.27 ? 164 VAL B N   1 
ATOM   1354 C  CA  . VAL A 1 158 ? -23.074 -27.870 -26.627 1.00 16.66 ? 164 VAL B CA  1 
ATOM   1355 C  C   . VAL A 1 158 ? -23.485 -26.704 -27.537 1.00 14.00 ? 164 VAL B C   1 
ATOM   1356 O  O   . VAL A 1 158 ? -24.670 -26.548 -27.933 1.00 17.91 ? 164 VAL B O   1 
ATOM   1357 C  CB  . VAL A 1 158 ? -23.877 -29.182 -26.790 1.00 19.98 ? 164 VAL B CB  1 
ATOM   1358 C  CG1 . VAL A 1 158 ? -23.761 -29.658 -28.238 1.00 20.60 ? 164 VAL B CG1 1 
ATOM   1359 C  CG2 . VAL A 1 158 ? -23.405 -30.264 -25.829 1.00 21.32 ? 164 VAL B CG2 1 
ATOM   1360 N  N   . PHE A 1 159 ? -22.552 -25.821 -27.869 1.00 13.61 ? 165 PHE B N   1 
ATOM   1361 C  CA  . PHE A 1 159 ? -22.857 -24.560 -28.594 1.00 14.27 ? 165 PHE B CA  1 
ATOM   1362 C  C   . PHE A 1 159 ? -23.431 -24.906 -29.973 1.00 17.16 ? 165 PHE B C   1 
ATOM   1363 O  O   . PHE A 1 159 ? -24.434 -24.325 -30.410 1.00 16.59 ? 165 PHE B O   1 
ATOM   1364 C  CB  . PHE A 1 159 ? -21.647 -23.645 -28.591 1.00 14.56 ? 165 PHE B CB  1 
ATOM   1365 C  CG  . PHE A 1 159 ? -21.249 -23.169 -27.209 1.00 12.64 ? 165 PHE B CG  1 
ATOM   1366 C  CD1 . PHE A 1 159 ? -22.195 -22.652 -26.330 1.00 13.13 ? 165 PHE B CD1 1 
ATOM   1367 C  CD2 . PHE A 1 159 ? -19.907 -23.142 -26.862 1.00 14.34 ? 165 PHE B CD2 1 
ATOM   1368 C  CE1 . PHE A 1 159 ? -21.795 -22.189 -25.074 1.00 12.71 ? 165 PHE B CE1 1 
ATOM   1369 C  CE2 . PHE A 1 159 ? -19.514 -22.699 -25.613 1.00 15.17 ? 165 PHE B CE2 1 
ATOM   1370 C  CZ  . PHE A 1 159 ? -20.451 -22.191 -24.742 1.00 13.48 ? 165 PHE B CZ  1 
ATOM   1371 N  N   . ALA A 1 160 ? -22.785 -25.852 -30.653 1.00 14.57 ? 166 ALA B N   1 
ATOM   1372 C  CA  . ALA A 1 160 ? -23.254 -26.376 -31.950 1.00 15.05 ? 166 ALA B CA  1 
ATOM   1373 C  C   . ALA A 1 160 ? -23.345 -25.287 -33.025 1.00 16.12 ? 166 ALA B C   1 
ATOM   1374 O  O   . ALA A 1 160 ? -24.133 -25.498 -34.013 1.00 16.17 ? 166 ALA B O   1 
ATOM   1375 C  CB  . ALA A 1 160 ? -24.551 -27.109 -31.761 1.00 15.35 ? 166 ALA B CB  1 
ATOM   1376 N  N   . GLY A 1 161 ? -22.517 -24.266 -32.963 1.00 16.01 ? 167 GLY B N   1 
ATOM   1377 C  CA  . GLY A 1 161 ? -22.513 -23.186 -33.969 1.00 17.20 ? 167 GLY B CA  1 
ATOM   1378 C  C   . GLY A 1 161 ? -21.844 -21.944 -33.435 1.00 15.57 ? 167 GLY B C   1 
ATOM   1379 O  O   . GLY A 1 161 ? -21.466 -21.907 -32.243 1.00 14.75 ? 167 GLY B O   1 
ATOM   1380 N  N   . PRO A 1 162 ? -21.781 -20.905 -34.262 1.00 13.64 ? 168 PRO B N   1 
ATOM   1381 C  CA  . PRO A 1 162 ? -21.297 -19.607 -33.837 1.00 13.46 ? 168 PRO B CA  1 
ATOM   1382 C  C   . PRO A 1 162 ? -22.238 -19.056 -32.754 1.00 13.23 ? 168 PRO B C   1 
ATOM   1383 O  O   . PRO A 1 162 ? -23.449 -19.322 -32.797 1.00 13.26 ? 168 PRO B O   1 
ATOM   1384 C  CB  . PRO A 1 162 ? -21.308 -18.734 -35.086 1.00 14.28 ? 168 PRO B CB  1 
ATOM   1385 C  CG  . PRO A 1 162 ? -21.420 -19.737 -36.226 1.00 14.84 ? 168 PRO B CG  1 
ATOM   1386 C  CD  . PRO A 1 162 ? -22.174 -20.905 -35.686 1.00 14.21 ? 168 PRO B CD  1 
ATOM   1387 N  N   . LEU A 1 163 ? -21.666 -18.309 -31.819 1.00 13.47 ? 169 LEU B N   1 
ATOM   1388 C  CA  . LEU A 1 163 ? -22.436 -17.666 -30.715 1.00 12.70 ? 169 LEU B CA  1 
ATOM   1389 C  C   . LEU A 1 163 ? -22.571 -16.163 -30.942 1.00 13.84 ? 169 LEU B C   1 
ATOM   1390 O  O   . LEU A 1 163 ? -21.620 -15.523 -31.407 1.00 14.47 ? 169 LEU B O   1 
ATOM   1391 C  CB  . LEU A 1 163 ? -21.752 -17.905 -29.371 1.00 12.94 ? 169 LEU B CB  1 
ATOM   1392 C  CG  . LEU A 1 163 ? -21.737 -19.344 -28.868 1.00 12.62 ? 169 LEU B CG  1 
ATOM   1393 C  CD1 . LEU A 1 163 ? -20.950 -19.417 -27.591 1.00 13.39 ? 169 LEU B CD1 1 
ATOM   1394 C  CD2 . LEU A 1 163 ? -23.171 -19.833 -28.653 1.00 13.99 ? 169 LEU B CD2 1 
ATOM   1395 N  N   . ARG A 1 164 ? -23.716 -15.617 -30.528 1.00 12.60 ? 170 ARG B N   1 
ATOM   1396 C  CA  . ARG A 1 164 ? -23.941 -14.151 -30.534 1.00 12.23 ? 170 ARG B CA  1 
ATOM   1397 C  C   . ARG A 1 164 ? -24.332 -13.705 -29.136 1.00 11.01 ? 170 ARG B C   1 
ATOM   1398 O  O   . ARG A 1 164 ? -25.106 -14.393 -28.476 1.00 11.50 ? 170 ARG B O   1 
ATOM   1399 C  CB  . ARG A 1 164 ? -25.006 -13.814 -31.567 1.00 14.37 ? 170 ARG B CB  1 
ATOM   1400 C  CG  . ARG A 1 164 ? -24.463 -14.155 -32.948 1.00 16.64 ? 170 ARG B CG  1 
ATOM   1401 C  CD  . ARG A 1 164 ? -25.354 -13.798 -34.082 1.00 19.28 ? 170 ARG B CD  1 
ATOM   1402 N  NE  . ARG A 1 164 ? -25.419 -12.347 -34.181 1.00 17.46 ? 170 ARG B NE  1 
ATOM   1403 C  CZ  . ARG A 1 164 ? -26.132 -11.728 -35.100 1.00 18.64 ? 170 ARG B CZ  1 
ATOM   1404 N  NH1 . ARG A 1 164 ? -26.727 -12.439 -36.036 1.00 17.90 ? 170 ARG B NH1 1 
ATOM   1405 N  NH2 . ARG A 1 164 ? -26.176 -10.400 -35.120 1.00 16.29 ? 170 ARG B NH2 1 
ATOM   1406 N  N   . PRO A 1 165 ? -23.902 -12.499 -28.717 1.00 11.24 ? 171 PRO B N   1 
ATOM   1407 C  CA  . PRO A 1 165 ? -24.427 -11.920 -27.475 1.00 10.63 ? 171 PRO B CA  1 
ATOM   1408 C  C   . PRO A 1 165 ? -25.936 -11.738 -27.610 1.00 10.34 ? 171 PRO B C   1 
ATOM   1409 O  O   . PRO A 1 165 ? -26.432 -11.385 -28.700 1.00 10.69 ? 171 PRO B O   1 
ATOM   1410 C  CB  . PRO A 1 165 ? -23.741 -10.556 -27.373 1.00 11.06 ? 171 PRO B CB  1 
ATOM   1411 C  CG  . PRO A 1 165 ? -22.435 -10.743 -28.167 1.00 12.10 ? 171 PRO B CG  1 
ATOM   1412 C  CD  . PRO A 1 165 ? -22.865 -11.639 -29.321 1.00 12.62 ? 171 PRO B CD  1 
ATOM   1413 N  N   . PHE A 1 166 ? -26.664 -12.008 -26.536 1.00 9.77  ? 172 PHE B N   1 
ATOM   1414 C  CA  . PHE A 1 166 ? -28.144 -12.058 -26.525 1.00 10.08 ? 172 PHE B CA  1 
ATOM   1415 C  C   . PHE A 1 166 ? -28.664 -11.091 -25.448 1.00 9.42  ? 172 PHE B C   1 
ATOM   1416 O  O   . PHE A 1 166 ? -28.187 -11.113 -24.294 1.00 9.82  ? 172 PHE B O   1 
ATOM   1417 C  CB  . PHE A 1 166 ? -28.636 -13.483 -26.254 1.00 10.54 ? 172 PHE B CB  1 
ATOM   1418 C  CG  . PHE A 1 166 ? -30.134 -13.558 -26.093 1.00 10.64 ? 172 PHE B CG  1 
ATOM   1419 C  CD1 . PHE A 1 166 ? -30.976 -13.561 -27.207 1.00 11.00 ? 172 PHE B CD1 1 
ATOM   1420 C  CD2 . PHE A 1 166 ? -30.713 -13.605 -24.835 1.00 11.13 ? 172 PHE B CD2 1 
ATOM   1421 C  CE1 . PHE A 1 166 ? -32.361 -13.639 -27.046 1.00 11.16 ? 172 PHE B CE1 1 
ATOM   1422 C  CE2 . PHE A 1 166 ? -32.089 -13.655 -24.683 1.00 11.15 ? 172 PHE B CE2 1 
ATOM   1423 C  CZ  . PHE A 1 166 ? -32.909 -13.686 -25.784 1.00 11.85 ? 172 PHE B CZ  1 
ATOM   1424 N  N   . PHE A 1 167 ? -29.760 -10.347 -25.775 1.00 10.46 ? 173 PHE B N   1 
ATOM   1425 C  CA  . PHE A 1 167 ? -30.359 -9.332  -24.872 1.00 10.13 ? 173 PHE B CA  1 
ATOM   1426 C  C   . PHE A 1 167 ? -31.880 -9.423  -24.965 1.00 10.59 ? 173 PHE B C   1 
ATOM   1427 O  O   . PHE A 1 167 ? -32.390 -9.480  -26.086 1.00 11.33 ? 173 PHE B O   1 
ATOM   1428 C  CB  . PHE A 1 167 ? -29.897 -7.924  -25.260 1.00 10.89 ? 173 PHE B CB  1 
ATOM   1429 C  CG  . PHE A 1 167 ? -28.397 -7.771  -25.359 1.00 10.23 ? 173 PHE B CG  1 
ATOM   1430 C  CD1 . PHE A 1 167 ? -27.740 -8.090  -26.542 1.00 10.03 ? 173 PHE B CD1 1 
ATOM   1431 C  CD2 . PHE A 1 167 ? -27.609 -7.356  -24.277 1.00 10.54 ? 173 PHE B CD2 1 
ATOM   1432 C  CE1 . PHE A 1 167 ? -26.349 -8.001  -26.647 1.00 10.34 ? 173 PHE B CE1 1 
ATOM   1433 C  CE2 . PHE A 1 167 ? -26.242 -7.194  -24.404 1.00 10.81 ? 173 PHE B CE2 1 
ATOM   1434 C  CZ  . PHE A 1 167 ? -25.609 -7.546  -25.586 1.00 11.41 ? 173 PHE B CZ  1 
ATOM   1435 N  N   . ASN A 1 168 ? -32.555 -9.235  -23.849 1.00 10.40 ? 174 ASN B N   1 
ATOM   1436 C  CA  . ASN A 1 168 ? -34.014 -8.999  -23.817 1.00 10.98 ? 174 ASN B CA  1 
ATOM   1437 C  C   . ASN A 1 168 ? -34.252 -7.854  -22.826 1.00 10.74 ? 174 ASN B C   1 
ATOM   1438 O  O   . ASN A 1 168 ? -33.919 -8.016  -21.622 1.00 11.19 ? 174 ASN B O   1 
ATOM   1439 C  CB  . ASN A 1 168 ? -34.791 -10.245 -23.413 1.00 11.02 ? 174 ASN B CB  1 
ATOM   1440 C  CG  . ASN A 1 168 ? -36.288 -10.052 -23.502 1.00 12.86 ? 174 ASN B CG  1 
ATOM   1441 O  OD1 . ASN A 1 168 ? -36.801 -8.972  -23.767 1.00 12.90 ? 174 ASN B OD1 1 
ATOM   1442 N  ND2 . ASN A 1 168 ? -37.006 -11.123 -23.319 1.00 14.50 ? 174 ASN B ND2 1 
ATOM   1443 N  N   . VAL A 1 169 ? -34.756 -6.691  -23.289 1.00 10.77 ? 175 VAL B N   1 
ATOM   1444 C  CA  . VAL A 1 169 ? -35.013 -5.536  -22.377 1.00 10.88 ? 175 VAL B CA  1 
ATOM   1445 C  C   . VAL A 1 169 ? -36.279 -5.802  -21.554 1.00 12.27 ? 175 VAL B C   1 
ATOM   1446 O  O   . VAL A 1 169 ? -36.535 -4.983  -20.677 1.00 12.69 ? 175 VAL B O   1 
ATOM   1447 C  CB  . VAL A 1 169 ? -35.117 -4.178  -23.118 1.00 11.83 ? 175 VAL B CB  1 
ATOM   1448 C  CG1 . VAL A 1 169 ? -33.816 -3.832  -23.805 1.00 12.60 ? 175 VAL B CG1 1 
ATOM   1449 C  CG2 . VAL A 1 169 ? -36.278 -4.183  -24.115 1.00 12.92 ? 175 VAL B CG2 1 
ATOM   1450 N  N   . GLY A 1 170 ? -37.105 -6.796  -21.944 1.00 11.71 ? 176 GLY B N   1 
ATOM   1451 C  CA  . GLY A 1 170 ? -38.377 -7.078  -21.259 1.00 12.77 ? 176 GLY B CA  1 
ATOM   1452 C  C   . GLY A 1 170 ? -39.488 -6.128  -21.650 1.00 12.60 ? 176 GLY B C   1 
ATOM   1453 O  O   . GLY A 1 170 ? -39.244 -5.079  -22.246 1.00 11.97 ? 176 GLY B O   1 
ATOM   1454 N  N   . PHE A 1 171 ? -40.729 -6.561  -21.412 1.00 13.53 ? 177 PHE B N   1 
ATOM   1455 C  CA  . PHE A 1 171 ? -41.921 -5.707  -21.609 1.00 13.15 ? 177 PHE B CA  1 
ATOM   1456 C  C   . PHE A 1 171 ? -41.947 -4.651  -20.545 1.00 12.53 ? 177 PHE B C   1 
ATOM   1457 O  O   . PHE A 1 171 ? -41.222 -4.720  -19.556 1.00 12.02 ? 177 PHE B O   1 
ATOM   1458 C  CB  . PHE A 1 171 ? -43.224 -6.510  -21.685 1.00 13.09 ? 177 PHE B CB  1 
ATOM   1459 C  CG  . PHE A 1 171 ? -43.307 -7.415  -22.886 1.00 13.54 ? 177 PHE B CG  1 
ATOM   1460 C  CD1 . PHE A 1 171 ? -43.694 -6.936  -24.130 1.00 15.99 ? 177 PHE B CD1 1 
ATOM   1461 C  CD2 . PHE A 1 171 ? -43.060 -8.768  -22.759 1.00 15.08 ? 177 PHE B CD2 1 
ATOM   1462 C  CE1 . PHE A 1 171 ? -43.744 -7.793  -25.235 1.00 17.06 ? 177 PHE B CE1 1 
ATOM   1463 C  CE2 . PHE A 1 171 ? -43.130 -9.607  -23.851 1.00 16.56 ? 177 PHE B CE2 1 
ATOM   1464 C  CZ  . PHE A 1 171 ? -43.511 -9.123  -25.064 1.00 16.55 ? 177 PHE B CZ  1 
ATOM   1465 N  N   . ASN A 1 172 ? -42.818 -3.676  -20.762 1.00 12.45 ? 178 ASN B N   1 
ATOM   1466 C  CA  . ASN A 1 172 ? -43.034 -2.567  -19.787 1.00 11.32 ? 178 ASN B CA  1 
ATOM   1467 C  C   . ASN A 1 172 ? -44.555 -2.393  -19.606 1.00 11.91 ? 178 ASN B C   1 
ATOM   1468 O  O   . ASN A 1 172 ? -45.065 -1.248  -19.660 1.00 13.09 ? 178 ASN B O   1 
ATOM   1469 C  CB  . ASN A 1 172 ? -42.323 -1.304  -20.261 1.00 12.98 ? 178 ASN B CB  1 
ATOM   1470 C  CG  . ASN A 1 172 ? -42.358 -0.194  -19.249 1.00 12.41 ? 178 ASN B CG  1 
ATOM   1471 O  OD1 . ASN A 1 172 ? -42.416 -0.417  -18.039 1.00 13.21 ? 178 ASN B OD1 1 
ATOM   1472 N  ND2 . ASN A 1 172 ? -42.379 1.042   -19.733 1.00 14.07 ? 178 ASN B ND2 1 
ATOM   1473 N  N   . TYR A 1 173 ? -45.229 -3.455  -19.245 1.00 13.28 ? 179 TYR B N   1 
ATOM   1474 C  CA  . TYR A 1 173 ? -46.666 -3.400  -18.878 1.00 12.73 ? 179 TYR B CA  1 
ATOM   1475 C  C   . TYR A 1 173 ? -46.837 -2.553  -17.606 1.00 13.92 ? 179 TYR B C   1 
ATOM   1476 O  O   . TYR A 1 173 ? -47.908 -1.921  -17.403 1.00 14.40 ? 179 TYR B O   1 
ATOM   1477 C  CB  . TYR A 1 173 ? -47.213 -4.818  -18.669 1.00 12.85 ? 179 TYR B CB  1 
ATOM   1478 C  CG  . TYR A 1 173 ? -47.286 -5.670  -19.903 1.00 15.72 ? 179 TYR B CG  1 
ATOM   1479 C  CD1 . TYR A 1 173 ? -48.251 -5.410  -20.861 1.00 20.31 ? 179 TYR B CD1 1 
ATOM   1480 C  CD2 . TYR A 1 173 ? -46.450 -6.752  -20.075 1.00 17.44 ? 179 TYR B CD2 1 
ATOM   1481 C  CE1 . TYR A 1 173 ? -48.312 -6.126  -22.048 1.00 20.60 ? 179 TYR B CE1 1 
ATOM   1482 C  CE2 . TYR A 1 173 ? -46.518 -7.493  -21.253 1.00 17.71 ? 179 TYR B CE2 1 
ATOM   1483 C  CZ  . TYR A 1 173 ? -47.453 -7.193  -22.219 1.00 20.10 ? 179 TYR B CZ  1 
ATOM   1484 O  OH  . TYR A 1 173 ? -47.526 -7.972  -23.357 1.00 25.48 ? 179 TYR B OH  1 
ATOM   1485 N  N   . SER A 1 174 ? -45.876 -2.579  -16.686 1.00 12.88 ? 180 SER B N   1 
ATOM   1486 C  CA  . SER A 1 174 ? -45.958 -1.999  -15.327 1.00 13.05 ? 180 SER B CA  1 
ATOM   1487 C  C   . SER A 1 174 ? -45.702 -0.492  -15.370 1.00 13.72 ? 180 SER B C   1 
ATOM   1488 O  O   . SER A 1 174 ? -46.004 0.179   -14.328 1.00 15.02 ? 180 SER B O   1 
ATOM   1489 C  CB  . SER A 1 174 ? -44.996 -2.641  -14.378 1.00 12.65 ? 180 SER B CB  1 
ATOM   1490 O  OG  . SER A 1 174 ? -43.654 -2.350  -14.788 1.00 14.14 ? 180 SER B OG  1 
ATOM   1491 N  N   . GLY A 1 175 ? -45.009 -0.005  -16.413 1.00 12.51 ? 181 GLY B N   1 
ATOM   1492 C  CA  . GLY A 1 175 ? -44.498 1.384   -16.375 1.00 12.52 ? 181 GLY B CA  1 
ATOM   1493 C  C   . GLY A 1 175 ? -43.275 1.547   -15.503 1.00 13.82 ? 181 GLY B C   1 
ATOM   1494 O  O   . GLY A 1 175 ? -42.775 2.664   -15.400 1.00 16.50 ? 181 GLY B O   1 
ATOM   1495 N  N   . GLY A 1 176 ? -42.739 0.455   -14.942 1.00 12.98 ? 182 GLY B N   1 
ATOM   1496 C  CA  . GLY A 1 176 ? -41.507 0.497   -14.147 1.00 13.01 ? 182 GLY B CA  1 
ATOM   1497 C  C   . GLY A 1 176 ? -40.305 -0.171  -14.798 1.00 13.48 ? 182 GLY B C   1 
ATOM   1498 O  O   . GLY A 1 176 ? -39.241 -0.221  -14.129 1.00 14.66 ? 182 GLY B O   1 
ATOM   1499 N  N   . ASN A 1 177 ? -40.404 -0.569  -16.061 1.00 11.50 ? 183 ASN B N   1 
ATOM   1500 C  CA  . ASN A 1 177 ? -39.299 -1.265  -16.745 1.00 12.44 ? 183 ASN B CA  1 
ATOM   1501 C  C   . ASN A 1 177 ? -38.837 -0.557  -18.023 1.00 11.59 ? 183 ASN B C   1 
ATOM   1502 O  O   . ASN A 1 177 ? -38.321 -1.239  -18.915 1.00 12.76 ? 183 ASN B O   1 
ATOM   1503 C  CB  . ASN A 1 177 ? -39.668 -2.712  -17.046 1.00 11.86 ? 183 ASN B CB  1 
ATOM   1504 C  CG  . ASN A 1 177 ? -38.457 -3.563  -17.347 1.00 11.68 ? 183 ASN B CG  1 
ATOM   1505 O  OD1 . ASN A 1 177 ? -37.416 -3.379  -16.732 1.00 12.13 ? 183 ASN B OD1 1 
ATOM   1506 N  ND2 . ASN A 1 177 ? -38.635 -4.472  -18.289 1.00 12.12 ? 183 ASN B ND2 1 
ATOM   1507 N  N   . ALA A 1 178 ? -38.939 0.767   -18.118 1.00 11.85 ? 184 ALA B N   1 
ATOM   1508 C  CA  . ALA A 1 178 ? -38.538 1.485   -19.347 1.00 12.63 ? 184 ALA B CA  1 
ATOM   1509 C  C   . ALA A 1 178 ? -37.023 1.616   -19.469 1.00 12.44 ? 184 ALA B C   1 
ATOM   1510 O  O   . ALA A 1 178 ? -36.562 1.910   -20.590 1.00 14.29 ? 184 ALA B O   1 
ATOM   1511 C  CB  . ALA A 1 178 ? -39.159 2.881   -19.344 1.00 12.78 ? 184 ALA B CB  1 
ATOM   1512 N  N   . ALA A 1 179 ? -36.278 1.442   -18.377 1.00 12.45 ? 185 ALA B N   1 
ATOM   1513 C  CA  . ALA A 1 179 ? -34.823 1.720   -18.430 1.00 12.37 ? 185 ALA B CA  1 
ATOM   1514 C  C   . ALA A 1 179 ? -34.146 0.846   -19.494 1.00 12.59 ? 185 ALA B C   1 
ATOM   1515 O  O   . ALA A 1 179 ? -34.531 -0.287  -19.756 1.00 11.98 ? 185 ALA B O   1 
ATOM   1516 C  CB  . ALA A 1 179 ? -34.183 1.508   -17.078 1.00 12.88 ? 185 ALA B CB  1 
ATOM   1517 N  N   . PRO A 1 180 ? -33.029 1.344   -20.069 1.00 12.48 ? 186 PRO B N   1 
ATOM   1518 C  CA  . PRO A 1 180 ? -32.274 0.607   -21.077 1.00 12.72 ? 186 PRO B CA  1 
ATOM   1519 C  C   . PRO A 1 180 ? -31.369 -0.506  -20.506 1.00 11.20 ? 186 PRO B C   1 
ATOM   1520 O  O   . PRO A 1 180 ? -31.065 -0.498  -19.311 1.00 12.34 ? 186 PRO B O   1 
ATOM   1521 C  CB  . PRO A 1 180 ? -31.354 1.687   -21.684 1.00 13.87 ? 186 PRO B CB  1 
ATOM   1522 C  CG  . PRO A 1 180 ? -31.148 2.677   -20.567 1.00 14.74 ? 186 PRO B CG  1 
ATOM   1523 C  CD  . PRO A 1 180 ? -32.477 2.687   -19.822 1.00 14.43 ? 186 PRO B CD  1 
ATOM   1524 N  N   . LEU A 1 181 ? -30.971 -1.457  -21.355 1.00 11.99 ? 187 LEU B N   1 
ATOM   1525 C  CA  . LEU A 1 181 ? -29.732 -2.233  -21.191 1.00 11.64 ? 187 LEU B CA  1 
ATOM   1526 C  C   . LEU A 1 181 ? -28.595 -1.421  -21.828 1.00 11.82 ? 187 LEU B C   1 
ATOM   1527 O  O   . LEU A 1 181 ? -28.779 -0.920  -22.973 1.00 13.75 ? 187 LEU B O   1 
ATOM   1528 C  CB  . LEU A 1 181 ? -29.883 -3.604  -21.824 1.00 12.29 ? 187 LEU B CB  1 
ATOM   1529 C  CG  . LEU A 1 181 ? -30.925 -4.545  -21.206 1.00 12.86 ? 187 LEU B CG  1 
ATOM   1530 C  CD1 . LEU A 1 181 ? -31.090 -5.806  -22.053 1.00 14.47 ? 187 LEU B CD1 1 
ATOM   1531 C  CD2 . LEU A 1 181 ? -30.537 -4.928  -19.782 1.00 13.91 ? 187 LEU B CD2 1 
ATOM   1532 N  N   . LYS A 1 182 ? -27.449 -1.341  -21.163 1.00 12.91 ? 188 LYS B N   1 
ATOM   1533 C  CA  . LYS A 1 182 ? -26.277 -0.577  -21.686 1.00 13.61 ? 188 LYS B CA  1 
ATOM   1534 C  C   . LYS A 1 182 ? -25.061 -1.458  -21.639 1.00 14.83 ? 188 LYS B C   1 
ATOM   1535 O  O   . LYS A 1 182 ? -24.747 -1.972  -20.552 1.00 14.00 ? 188 LYS B O   1 
ATOM   1536 C  CB  . LYS A 1 182 ? -26.020 0.689   -20.867 1.00 15.92 ? 188 LYS B CB  1 
ATOM   1537 C  CG  . LYS A 1 182 ? -27.192 1.629   -20.716 1.00 19.39 ? 188 LYS B CG  1 
ATOM   1538 C  CD  . LYS A 1 182 ? -26.759 2.960   -20.128 1.00 24.03 ? 188 LYS B CD  1 
ATOM   1539 C  CE  . LYS A 1 182 ? -27.901 3.834   -19.682 1.00 30.08 ? 188 LYS B CE  1 
ATOM   1540 N  NZ  . LYS A 1 182 ? -27.385 5.025   -18.963 1.00 34.62 ? 188 LYS B NZ  1 
ATOM   1541 N  N   . LEU A 1 183 ? -24.350 -1.551  -22.737 1.00 14.11 ? 189 LEU B N   1 
ATOM   1542 C  CA  . LEU A 1 183 ? -23.004 -2.203  -22.735 1.00 13.99 ? 189 LEU B CA  1 
ATOM   1543 C  C   . LEU A 1 183 ? -22.005 -1.250  -22.084 1.00 15.35 ? 189 LEU B C   1 
ATOM   1544 O  O   . LEU A 1 183 ? -21.881 -0.079  -22.567 1.00 18.83 ? 189 LEU B O   1 
ATOM   1545 C  CB  . LEU A 1 183 ? -22.621 -2.578  -24.168 1.00 14.10 ? 189 LEU B CB  1 
ATOM   1546 C  CG  . LEU A 1 183 ? -23.373 -3.816  -24.653 1.00 14.85 ? 189 LEU B CG  1 
ATOM   1547 C  CD1 . LEU A 1 183 ? -23.588 -3.883  -26.153 1.00 18.58 ? 189 LEU B CD1 1 
ATOM   1548 C  CD2 . LEU A 1 183 ? -22.734 -5.090  -24.106 1.00 13.80 ? 189 LEU B CD2 1 
ATOM   1549 N  N   . CYS A 1 184 ? -21.368 -1.698  -21.010 1.00 16.61 ? 190 CYS B N   1 
ATOM   1550 C  CA  . CYS A 1 184 ? -20.466 -0.866  -20.166 1.00 18.59 ? 190 CYS B CA  1 
ATOM   1551 C  C   . CYS A 1 184 ? -19.104 -0.785  -20.813 1.00 20.72 ? 190 CYS B C   1 
ATOM   1552 O  O   . CYS A 1 184 ? -18.616 -1.750  -21.365 1.00 21.42 ? 190 CYS B O   1 
ATOM   1553 C  CB  . CYS A 1 184 ? -20.164 -1.491  -18.822 1.00 20.38 ? 190 CYS B CB  1 
ATOM   1554 S  SG  . CYS A 1 184 ? -21.604 -2.057  -17.930 1.00 22.27 ? 190 CYS B SG  1 
ATOM   1555 N  N   . PRO A 1 185 ? -18.418 0.355   -20.656 1.00 25.25 ? 191 PRO B N   1 
ATOM   1556 C  CA  . PRO A 1 185 ? -17.101 0.532   -21.227 1.00 29.93 ? 191 PRO B CA  1 
ATOM   1557 C  C   . PRO A 1 185 ? -16.096 -0.380  -20.521 1.00 30.87 ? 191 PRO B C   1 
ATOM   1558 O  O   . PRO A 1 185 ? -16.283 -0.676  -19.323 1.00 30.37 ? 191 PRO B O   1 
ATOM   1559 C  CB  . PRO A 1 185 ? -16.861 2.041   -21.036 1.00 30.61 ? 191 PRO B CB  1 
ATOM   1560 C  CG  . PRO A 1 185 ? -17.697 2.409   -19.853 1.00 31.00 ? 191 PRO B CG  1 
ATOM   1561 C  CD  . PRO A 1 185 ? -18.938 1.567   -19.999 1.00 27.01 ? 191 PRO B CD  1 
ATOM   1562 N  N   . LEU A 1 186 ? -15.126 -0.817  -21.328 1.00 36.95 ? 192 LEU B N   1 
ATOM   1563 C  CA  . LEU A 1 186 ? -13.853 -1.523  -21.027 1.00 39.95 ? 192 LEU B CA  1 
ATOM   1564 C  C   . LEU A 1 186 ? -12.930 -0.620  -20.205 1.00 44.02 ? 192 LEU B C   1 
ATOM   1565 O  O   . LEU A 1 186 ? -12.277 -1.149  -19.298 1.00 50.15 ? 192 LEU B O   1 
ATOM   1566 C  CB  . LEU A 1 186 ? -13.192 -1.862  -22.370 1.00 39.21 ? 192 LEU B CB  1 
HETATM 1567 C  C1  . EDO B 2 .   ? -45.609 -3.449  -22.981 1.00 28.88 ? 201 EDO B C1  1 
HETATM 1568 O  O1  . EDO B 2 .   ? -44.244 -3.138  -23.190 1.00 20.68 ? 201 EDO B O1  1 
HETATM 1569 C  C2  . EDO B 2 .   ? -46.335 -4.094  -24.099 1.00 37.22 ? 201 EDO B C2  1 
HETATM 1570 O  O2  . EDO B 2 .   ? -46.208 -3.402  -25.317 1.00 42.82 ? 201 EDO B O2  1 
HETATM 1571 C  C10 . WNY C 3 .   ? -33.514 5.577   -17.976 1.00 43.09 ? 202 WNY B C10 1 
HETATM 1572 C  C13 . WNY C 3 .   ? -31.756 4.522   -16.097 1.00 42.88 ? 202 WNY B C13 1 
HETATM 1573 C  C15 . WNY C 3 .   ? -33.111 4.449   -15.886 1.00 41.63 ? 202 WNY B C15 1 
HETATM 1574 C  C01 . WNY C 3 .   ? -38.411 6.992   -21.956 1.00 55.86 ? 202 WNY B C01 1 
HETATM 1575 C  C02 . WNY C 3 .   ? -37.065 7.610   -21.726 1.00 55.96 ? 202 WNY B C02 1 
HETATM 1576 C  C05 . WNY C 3 .   ? -35.201 8.070   -20.163 1.00 54.21 ? 202 WNY B C05 1 
HETATM 1577 C  C06 . WNY C 3 .   ? -34.041 7.140   -19.873 1.00 52.33 ? 202 WNY B C06 1 
HETATM 1578 C  C08 . WNY C 3 .   ? -35.667 5.385   -19.253 1.00 50.85 ? 202 WNY B C08 1 
HETATM 1579 C  C09 . WNY C 3 .   ? -36.789 6.353   -19.568 1.00 52.95 ? 202 WNY B C09 1 
HETATM 1580 C  C11 . WNY C 3 .   ? -32.135 5.640   -18.167 1.00 41.48 ? 202 WNY B C11 1 
HETATM 1581 C  C12 . WNY C 3 .   ? -31.255 5.122   -17.230 1.00 43.49 ? 202 WNY B C12 1 
HETATM 1582 C  C16 . WNY C 3 .   ? -33.983 4.955   -16.829 1.00 41.32 ? 202 WNY B C16 1 
HETATM 1583 N  N04 . WNY C 3 .   ? -36.391 7.328   -20.586 1.00 55.33 ? 202 WNY B N04 1 
HETATM 1584 N  N07 . WNY C 3 .   ? -34.395 6.055   -18.942 1.00 47.69 ? 202 WNY B N07 1 
HETATM 1585 O  O03 . WNY C 3 .   ? -36.606 8.380   -22.563 1.00 54.26 ? 202 WNY B O03 1 
HETATM 1586 CL CL1 . WNY C 3 .   ? -30.685 3.847   -14.898 1.00 53.67 ? 202 WNY B CL1 1 
HETATM 1587 C  C1  . EDO D 2 .   ? -50.517 -16.931 -33.096 1.00 42.03 ? 203 EDO B C1  1 
HETATM 1588 O  O1  . EDO D 2 .   ? -49.173 -16.484 -33.009 1.00 33.56 ? 203 EDO B O1  1 
HETATM 1589 C  C2  . EDO D 2 .   ? -51.133 -17.144 -31.778 1.00 40.77 ? 203 EDO B C2  1 
HETATM 1590 O  O2  . EDO D 2 .   ? -51.135 -15.960 -31.016 1.00 48.42 ? 203 EDO B O2  1 
HETATM 1591 S  S   . SO4 E 4 .   ? -40.401 -24.605 -26.265 1.00 39.60 ? 204 SO4 B S   1 
HETATM 1592 O  O1  . SO4 E 4 .   ? -39.710 -23.645 -27.077 1.00 26.58 ? 204 SO4 B O1  1 
HETATM 1593 O  O2  . SO4 E 4 .   ? -41.342 -25.332 -27.068 1.00 43.46 ? 204 SO4 B O2  1 
HETATM 1594 O  O3  . SO4 E 4 .   ? -39.443 -25.525 -25.690 1.00 43.15 ? 204 SO4 B O3  1 
HETATM 1595 O  O4  . SO4 E 4 .   ? -41.120 -23.946 -25.197 1.00 43.25 ? 204 SO4 B O4  1 
HETATM 1596 O  O   . HOH F 5 .   ? -26.853 -28.421 -27.838 1.00 24.76 ? 301 HOH B O   1 
HETATM 1597 O  O   . HOH F 5 .   ? -22.656 -1.807  -9.677  1.00 24.81 ? 302 HOH B O   1 
HETATM 1598 O  O   . HOH F 5 .   ? -47.033 -16.706 -31.904 1.00 21.78 ? 303 HOH B O   1 
HETATM 1599 O  O   . HOH F 5 .   ? -45.009 7.374   -24.590 1.00 41.33 ? 304 HOH B O   1 
HETATM 1600 O  O   . HOH F 5 .   ? -38.619 -15.279 -11.597 1.00 34.16 ? 305 HOH B O   1 
HETATM 1601 O  O   . HOH F 5 .   ? -29.529 -12.390 -37.769 1.00 23.00 ? 306 HOH B O   1 
HETATM 1602 O  O   . HOH F 5 .   ? -45.660 3.691   -34.104 1.00 20.64 ? 307 HOH B O   1 
HETATM 1603 O  O   . HOH F 5 .   ? -13.438 -23.507 -31.587 1.00 15.76 ? 308 HOH B O   1 
HETATM 1604 O  O   . HOH F 5 .   ? -40.053 -1.138  -9.776  1.00 30.55 ? 309 HOH B O   1 
HETATM 1605 O  O   . HOH F 5 .   ? -38.450 0.653   -11.855 1.00 36.74 ? 310 HOH B O   1 
HETATM 1606 O  O   . HOH F 5 .   ? -15.558 -5.351  -13.661 1.00 33.12 ? 311 HOH B O   1 
HETATM 1607 O  O   . HOH F 5 .   ? -38.020 2.785   -22.666 1.00 18.87 ? 312 HOH B O   1 
HETATM 1608 O  O   . HOH F 5 .   ? -32.917 1.168   -33.388 1.00 21.37 ? 313 HOH B O   1 
HETATM 1609 O  O   . HOH F 5 .   ? -26.193 3.597   -35.138 1.00 31.08 ? 314 HOH B O   1 
HETATM 1610 O  O   . HOH F 5 .   ? -45.472 0.102   -11.777 1.00 21.56 ? 315 HOH B O   1 
HETATM 1611 O  O   . HOH F 5 .   ? -36.778 -16.232 -39.431 1.00 27.88 ? 316 HOH B O   1 
HETATM 1612 O  O   . HOH F 5 .   ? -9.497  -18.581 -30.228 1.00 50.61 ? 317 HOH B O   1 
HETATM 1613 O  O   . HOH F 5 .   ? -12.723 -21.319 -18.676 1.00 30.86 ? 318 HOH B O   1 
HETATM 1614 O  O   . HOH F 5 .   ? -35.768 -19.104 -30.454 1.00 37.64 ? 319 HOH B O   1 
HETATM 1615 O  O   . HOH F 5 .   ? -18.640 -21.952 -35.803 1.00 17.43 ? 320 HOH B O   1 
HETATM 1616 O  O   . HOH F 5 .   ? -8.954  -13.471 -25.109 1.00 32.71 ? 321 HOH B O   1 
HETATM 1617 O  O   . HOH F 5 .   ? -32.834 -18.315 -37.183 1.00 37.23 ? 322 HOH B O   1 
HETATM 1618 O  O   . HOH F 5 .   ? -23.199 4.379   -24.652 1.00 25.09 ? 323 HOH B O   1 
HETATM 1619 O  O   . HOH F 5 .   ? -30.774 -6.695  -11.238 1.00 14.81 ? 324 HOH B O   1 
HETATM 1620 O  O   . HOH F 5 .   ? -49.686 -1.791  -19.380 1.00 26.62 ? 325 HOH B O   1 
HETATM 1621 O  O   . HOH F 5 .   ? -25.882 -22.670 -35.794 1.00 28.99 ? 326 HOH B O   1 
HETATM 1622 O  O   . HOH F 5 .   ? -17.602 -21.377 -12.385 1.00 18.82 ? 327 HOH B O   1 
HETATM 1623 O  O   . HOH F 5 .   ? -37.315 -25.479 -11.418 1.00 35.66 ? 328 HOH B O   1 
HETATM 1624 O  O   . HOH F 5 .   ? -19.396 -29.763 -15.671 1.00 29.19 ? 329 HOH B O   1 
HETATM 1625 O  O   . HOH F 5 .   ? -16.147 -19.635 -15.628 1.00 24.83 ? 330 HOH B O   1 
HETATM 1626 O  O   . HOH F 5 .   ? -41.879 1.477   -22.526 1.00 32.26 ? 331 HOH B O   1 
HETATM 1627 O  O   . HOH F 5 .   ? -35.963 -22.401 -19.586 1.00 26.95 ? 332 HOH B O   1 
HETATM 1628 O  O   . HOH F 5 .   ? -42.908 -15.337 -10.044 1.00 24.47 ? 333 HOH B O   1 
HETATM 1629 O  O   . HOH F 5 .   ? -13.565 -20.980 -35.254 1.00 32.57 ? 334 HOH B O   1 
HETATM 1630 O  O   . HOH F 5 .   ? -24.590 -30.941 -21.996 1.00 35.94 ? 335 HOH B O   1 
HETATM 1631 O  O   . HOH F 5 .   ? -40.661 -14.417 -8.376  1.00 29.19 ? 336 HOH B O   1 
HETATM 1632 O  O   . HOH F 5 .   ? -16.673 -5.584  -9.243  1.00 31.84 ? 337 HOH B O   1 
HETATM 1633 O  O   . HOH F 5 .   ? -36.514 -22.934 -30.695 1.00 31.72 ? 338 HOH B O   1 
HETATM 1634 O  O   . HOH F 5 .   ? -18.401 -4.594  -24.660 1.00 16.77 ? 339 HOH B O   1 
HETATM 1635 O  O   . HOH F 5 .   ? -11.018 -21.105 -25.181 1.00 28.51 ? 340 HOH B O   1 
HETATM 1636 O  O   . HOH F 5 .   ? -47.184 1.237   -25.563 1.00 36.29 ? 341 HOH B O   1 
HETATM 1637 O  O   . HOH F 5 .   ? -30.791 -20.312 -21.325 1.00 12.77 ? 342 HOH B O   1 
HETATM 1638 O  O   . HOH F 5 .   ? -17.529 -27.645 -19.656 1.00 19.34 ? 343 HOH B O   1 
HETATM 1639 O  O   . HOH F 5 .   ? -38.735 -2.498  -21.282 1.00 14.79 ? 344 HOH B O   1 
HETATM 1640 O  O   . HOH F 5 .   ? -30.686 1.166   -16.999 1.00 24.56 ? 345 HOH B O   1 
HETATM 1641 O  O   . HOH F 5 .   ? -38.501 -7.594  -10.694 1.00 16.43 ? 346 HOH B O   1 
HETATM 1642 O  O   . HOH F 5 .   ? -17.907 -19.817 -37.479 1.00 27.88 ? 347 HOH B O   1 
HETATM 1643 O  O   . HOH F 5 .   ? -19.351 -4.295  -21.988 1.00 15.50 ? 348 HOH B O   1 
HETATM 1644 O  O   . HOH F 5 .   ? -30.170 -23.908 -33.903 1.00 25.25 ? 349 HOH B O   1 
HETATM 1645 O  O   . HOH F 5 .   ? -45.153 -12.229 -26.596 1.00 31.85 ? 350 HOH B O   1 
HETATM 1646 O  O   . HOH F 5 .   ? -42.204 -11.190 -38.285 1.00 33.96 ? 351 HOH B O   1 
HETATM 1647 O  O   . HOH F 5 .   ? -36.738 -25.947 -23.786 1.00 33.15 ? 352 HOH B O   1 
HETATM 1648 O  O   . HOH F 5 .   ? -34.050 -21.955 -31.377 1.00 18.94 ? 353 HOH B O   1 
HETATM 1649 O  O   . HOH F 5 .   ? -38.364 3.760   -42.100 1.00 28.49 ? 354 HOH B O   1 
HETATM 1650 O  O   . HOH F 5 .   ? -23.832 1.104   -10.668 1.00 32.83 ? 355 HOH B O   1 
HETATM 1651 O  O   . HOH F 5 .   ? -10.317 -23.489 -21.867 1.00 29.10 ? 356 HOH B O   1 
HETATM 1652 O  O   . HOH F 5 .   ? -23.172 2.326   -22.950 1.00 29.69 ? 357 HOH B O   1 
HETATM 1653 O  O   . HOH F 5 .   ? -35.456 -17.092 -8.172  1.00 43.78 ? 358 HOH B O   1 
HETATM 1654 O  O   . HOH F 5 .   ? -26.531 -25.747 -16.396 1.00 18.49 ? 359 HOH B O   1 
HETATM 1655 O  O   . HOH F 5 .   ? -25.685 -14.274 -3.107  1.00 31.12 ? 360 HOH B O   1 
HETATM 1656 O  O   . HOH F 5 .   ? -37.042 0.922   -15.492 1.00 15.80 ? 361 HOH B O   1 
HETATM 1657 O  O   . HOH F 5 .   ? -43.816 -0.639  -24.309 1.00 29.87 ? 362 HOH B O   1 
HETATM 1658 O  O   . HOH F 5 .   ? -26.722 -17.653 -7.754  1.00 16.87 ? 363 HOH B O   1 
HETATM 1659 O  O   . HOH F 5 .   ? -41.029 -9.325  -36.690 1.00 39.97 ? 364 HOH B O   1 
HETATM 1660 O  O   . HOH F 5 .   ? -26.452 1.919   -10.928 1.00 26.28 ? 365 HOH B O   1 
HETATM 1661 O  O   . HOH F 5 .   ? -27.163 -20.329 -6.960  1.00 18.04 ? 366 HOH B O   1 
HETATM 1662 O  O   . HOH F 5 .   ? -42.506 -5.763  -12.222 1.00 21.39 ? 367 HOH B O   1 
HETATM 1663 O  O   . HOH F 5 .   ? -41.431 -7.794  -3.343  1.00 41.20 ? 368 HOH B O   1 
HETATM 1664 O  O   . HOH F 5 .   ? -40.216 -14.359 -31.357 1.00 14.20 ? 369 HOH B O   1 
HETATM 1665 O  O   . HOH F 5 .   ? -14.977 -19.704 -37.543 1.00 25.95 ? 370 HOH B O   1 
HETATM 1666 O  O   . HOH F 5 .   ? -19.345 -26.046 -31.823 1.00 19.29 ? 371 HOH B O   1 
HETATM 1667 O  O   . HOH F 5 .   ? -19.740 1.887   -30.467 1.00 30.73 ? 372 HOH B O   1 
HETATM 1668 O  O   . HOH F 5 .   ? -36.187 -1.748  -33.796 1.00 20.82 ? 373 HOH B O   1 
HETATM 1669 O  O   . HOH F 5 .   ? -27.738 -27.525 -25.761 1.00 31.49 ? 374 HOH B O   1 
HETATM 1670 O  O   . HOH F 5 .   ? -44.937 -7.800  -38.944 1.00 16.10 ? 375 HOH B O   1 
HETATM 1671 O  O   . HOH F 5 .   ? -36.469 -0.977  -22.024 1.00 13.56 ? 376 HOH B O   1 
HETATM 1672 O  O   . HOH F 5 .   ? -17.809 -4.405  -5.790  1.00 42.14 ? 377 HOH B O   1 
HETATM 1673 O  O   . HOH F 5 .   ? -37.982 -14.506 -21.292 1.00 34.08 ? 378 HOH B O   1 
HETATM 1674 O  O   . HOH F 5 .   ? -20.903 -16.288 -5.432  1.00 18.20 ? 379 HOH B O   1 
HETATM 1675 O  O   . HOH F 5 .   ? -35.485 -4.597  -42.133 1.00 22.97 ? 380 HOH B O   1 
HETATM 1676 O  O   . HOH F 5 .   ? -42.250 -3.851  -39.489 1.00 22.04 ? 381 HOH B O   1 
HETATM 1677 O  O   . HOH F 5 .   ? -32.244 -4.996  -12.875 1.00 13.69 ? 382 HOH B O   1 
HETATM 1678 O  O   . HOH F 5 .   ? -23.957 -12.387 -6.526  1.00 19.00 ? 383 HOH B O   1 
HETATM 1679 O  O   . HOH F 5 .   ? -19.066 -29.066 -23.452 1.00 27.13 ? 384 HOH B O   1 
HETATM 1680 O  O   . HOH F 5 .   ? -45.866 -4.306  -33.860 1.00 20.93 ? 385 HOH B O   1 
HETATM 1681 O  O   . HOH F 5 .   ? -18.276 -17.260 -36.355 1.00 26.69 ? 386 HOH B O   1 
HETATM 1682 O  O   . HOH F 5 .   ? -33.310 -14.881 -6.971  1.00 21.81 ? 387 HOH B O   1 
HETATM 1683 O  O   . HOH F 5 .   ? -45.635 -14.704 -27.473 1.00 32.53 ? 388 HOH B O   1 
HETATM 1684 O  O   . HOH F 5 .   ? -45.682 -19.573 -31.588 1.00 27.85 ? 389 HOH B O   1 
HETATM 1685 O  O   . HOH F 5 .   ? -25.265 -10.463 -23.535 1.00 13.24 ? 390 HOH B O   1 
HETATM 1686 O  O   . HOH F 5 .   ? -33.399 -1.797  -38.397 1.00 27.73 ? 391 HOH B O   1 
HETATM 1687 O  O   . HOH F 5 .   ? -40.948 -5.921  -37.993 1.00 32.87 ? 392 HOH B O   1 
HETATM 1688 O  O   . HOH F 5 .   ? -9.315  -16.020 -26.533 1.00 29.67 ? 393 HOH B O   1 
HETATM 1689 O  O   . HOH F 5 .   ? -41.413 -8.508  -13.289 1.00 20.60 ? 394 HOH B O   1 
HETATM 1690 O  O   . HOH F 5 .   ? -14.388 -16.474 -33.071 1.00 26.92 ? 395 HOH B O   1 
HETATM 1691 O  O   . HOH F 5 .   ? -31.475 3.461   -26.707 1.00 24.74 ? 396 HOH B O   1 
HETATM 1692 O  O   . HOH F 5 .   ? -23.691 -21.031 -38.826 1.00 22.94 ? 397 HOH B O   1 
HETATM 1693 O  O   . HOH F 5 .   ? -25.734 -26.925 -23.879 1.00 17.63 ? 398 HOH B O   1 
HETATM 1694 O  O   . HOH F 5 .   ? -36.461 -0.126  -42.099 1.00 36.46 ? 399 HOH B O   1 
HETATM 1695 O  O   . HOH F 5 .   ? -24.271 -4.208  -36.845 1.00 35.47 ? 400 HOH B O   1 
HETATM 1696 O  O   . HOH F 5 .   ? -28.678 7.918   -29.980 1.00 31.04 ? 401 HOH B O   1 
HETATM 1697 O  O   . HOH F 5 .   ? -12.564 -18.542 -34.796 1.00 38.43 ? 402 HOH B O   1 
HETATM 1698 O  O   . HOH F 5 .   ? -40.748 6.362   -33.040 1.00 30.84 ? 403 HOH B O   1 
HETATM 1699 O  O   . HOH F 5 .   ? -24.833 -15.028 -6.795  1.00 17.21 ? 404 HOH B O   1 
HETATM 1700 O  O   . HOH F 5 .   ? -17.943 -16.037 -6.150  1.00 24.03 ? 405 HOH B O   1 
HETATM 1701 O  O   . HOH F 5 .   ? -9.301  -20.774 -28.815 1.00 35.62 ? 406 HOH B O   1 
HETATM 1702 O  O   . HOH F 5 .   ? -40.293 -7.408  -34.463 1.00 22.03 ? 407 HOH B O   1 
HETATM 1703 O  O   . HOH F 5 .   ? -13.209 -6.263  -29.181 1.00 31.87 ? 408 HOH B O   1 
HETATM 1704 O  O   . HOH F 5 .   ? -30.977 4.044   -24.219 1.00 25.96 ? 409 HOH B O   1 
HETATM 1705 O  O   . HOH F 5 .   ? -38.909 3.989   -13.627 1.00 35.12 ? 410 HOH B O   1 
HETATM 1706 O  O   . HOH F 5 .   ? -52.514 -14.280 -28.966 1.00 45.45 ? 411 HOH B O   1 
HETATM 1707 O  O   . HOH F 5 .   ? -41.298 5.399   -28.336 1.00 27.83 ? 412 HOH B O   1 
HETATM 1708 O  O   . HOH F 5 .   ? -42.329 -4.990  -43.661 1.00 22.91 ? 413 HOH B O   1 
HETATM 1709 O  O   . HOH F 5 .   ? -17.872 -11.009 -35.584 1.00 26.77 ? 414 HOH B O   1 
HETATM 1710 O  O   . HOH F 5 .   ? -35.569 -3.024  -9.981  1.00 55.41 ? 415 HOH B O   1 
HETATM 1711 O  O   . HOH F 5 .   ? -34.117 -21.947 -36.425 1.00 48.50 ? 416 HOH B O   1 
HETATM 1712 O  O   . HOH F 5 .   ? -24.737 -11.119 -4.108  1.00 24.25 ? 417 HOH B O   1 
HETATM 1713 O  O   . HOH F 5 .   ? -15.985 -14.719 -8.543  1.00 31.46 ? 418 HOH B O   1 
HETATM 1714 O  O   . HOH F 5 .   ? -21.154 -5.683  -2.150  1.00 42.16 ? 419 HOH B O   1 
HETATM 1715 O  O   . HOH F 5 .   ? -43.351 3.798   -18.836 1.00 21.36 ? 420 HOH B O   1 
HETATM 1716 O  O   . HOH F 5 .   ? -39.996 -11.573 -22.771 1.00 30.62 ? 421 HOH B O   1 
HETATM 1717 O  O   . HOH F 5 .   ? -41.060 -8.805  -19.320 1.00 15.27 ? 422 HOH B O   1 
HETATM 1718 O  O   . HOH F 5 .   ? -34.605 -8.924  -6.088  1.00 45.62 ? 423 HOH B O   1 
HETATM 1719 O  O   . HOH F 5 .   ? -19.898 2.292   -23.924 1.00 37.47 ? 424 HOH B O   1 
HETATM 1720 O  O   . HOH F 5 .   ? -34.357 -7.224  -7.771  1.00 30.95 ? 425 HOH B O   1 
HETATM 1721 O  O   . HOH F 5 .   ? -25.054 7.150   -28.838 1.00 27.92 ? 426 HOH B O   1 
HETATM 1722 O  O   . HOH F 5 .   ? -16.017 -12.206 -5.431  1.00 45.27 ? 427 HOH B O   1 
HETATM 1723 O  O   . HOH F 5 .   ? -16.006 -7.475  -11.264 1.00 30.80 ? 428 HOH B O   1 
HETATM 1724 O  O   . HOH F 5 .   ? -32.685 -23.548 -33.319 1.00 32.18 ? 429 HOH B O   1 
HETATM 1725 O  O   . HOH F 5 .   ? -47.701 0.000   -32.775 0.50 22.68 ? 430 HOH B O   1 
HETATM 1726 O  O   . HOH F 5 .   ? -36.690 -6.678  -8.873  1.00 33.25 ? 431 HOH B O   1 
HETATM 1727 O  O   . HOH F 5 .   ? -8.431  -23.019 -30.271 1.00 27.97 ? 432 HOH B O   1 
HETATM 1728 O  O   . HOH F 5 .   ? -30.724 -17.422 -42.696 1.00 34.52 ? 433 HOH B O   1 
HETATM 1729 O  O   . HOH F 5 .   ? -21.573 6.857   -32.275 1.00 30.45 ? 434 HOH B O   1 
HETATM 1730 O  O   . HOH F 5 .   ? -40.342 5.014   -22.012 1.00 31.84 ? 435 HOH B O   1 
HETATM 1731 O  O   . HOH F 5 .   ? -26.270 -28.103 -21.445 1.00 38.06 ? 436 HOH B O   1 
HETATM 1732 O  O   . HOH F 5 .   ? -38.566 -16.177 -40.871 1.00 40.71 ? 437 HOH B O   1 
HETATM 1733 O  O   . HOH F 5 .   ? -22.853 3.359   -20.494 1.00 38.10 ? 438 HOH B O   1 
HETATM 1734 O  O   . HOH F 5 .   ? -15.905 -22.334 -14.580 1.00 28.40 ? 439 HOH B O   1 
HETATM 1735 O  O   . HOH F 5 .   ? -36.669 2.200   -43.215 1.00 44.70 ? 440 HOH B O   1 
HETATM 1736 O  O   . HOH F 5 .   ? -15.951 -26.923 -17.233 1.00 40.02 ? 441 HOH B O   1 
HETATM 1737 O  O   . HOH F 5 .   ? -28.354 -27.732 -16.888 1.00 24.72 ? 442 HOH B O   1 
HETATM 1738 O  O   . HOH F 5 .   ? -26.399 -31.223 -23.961 1.00 29.38 ? 443 HOH B O   1 
HETATM 1739 O  O   . HOH F 5 .   ? -42.148 -12.972 -22.420 1.00 31.47 ? 444 HOH B O   1 
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