data_7HNK
# 
_entry.id   7HNK 
# 
_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   7HNK         pdb_00007hnk 10.2210/pdb7hnk/pdb 
WWPDB D_1001407698 ?            ?                   
# 
_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                        7HNK 
_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-azaspiro[5.6]dodecan-2-yl)ethan-1-one'          209.328   1   ?        ? ? ? 
3 non-polymer syn 1,2-ETHANEDIOL                                        62.068    1   ?        ? ? ? 
4 non-polymer syn 'SULFATE ION'                                         96.063    1   ?        ? ? ? 
5 non-polymer syn '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID' 238.305   1   ?        ? ? ? 
6 water       nat water                                                 18.015    141 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;52 kDa Ro protein,52 kDa ribonucleoprotein autoantigen Ro/SS-A,Ro(SS-A),Sjoegren syndrome type A antigen,SS-A,Tripartite motif-containing protein 21
;
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_strand_id                 B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 '1-(2-azaspiro[5.6]dodecan-2-yl)ethan-1-one'          WKG 
3 1,2-ETHANEDIOL                                        EDO 
4 'SULFATE ION'                                         SO4 
5 '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID' EPE 
6 water                                                 HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   HIS n 
1 3   HIS n 
1 4   HIS n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   MET n 
1 9   VAL n 
1 10  HIS n 
1 11  ILE n 
1 12  THR n 
1 13  LEU n 
1 14  ASP n 
1 15  ARG n 
1 16  ASN n 
1 17  THR n 
1 18  ALA n 
1 19  ASN n 
1 20  SER n 
1 21  TRP n 
1 22  LEU n 
1 23  ILE n 
1 24  ILE n 
1 25  SER n 
1 26  LYS n 
1 27  ASP n 
1 28  ARG n 
1 29  ARG n 
1 30  GLN n 
1 31  VAL n 
1 32  ARG n 
1 33  MET n 
1 34  GLY n 
1 35  ASP n 
1 36  THR n 
1 37  HIS n 
1 38  GLN n 
1 39  ASN n 
1 40  VAL n 
1 41  SER n 
1 42  ASP n 
1 43  ASN n 
1 44  LYS n 
1 45  GLU n 
1 46  ARG n 
1 47  PHE n 
1 48  SER n 
1 49  ASN n 
1 50  TYR n 
1 51  PRO n 
1 52  MET n 
1 53  VAL n 
1 54  LEU n 
1 55  GLY n 
1 56  ALA n 
1 57  GLN n 
1 58  ARG n 
1 59  PHE n 
1 60  SER n 
1 61  SER n 
1 62  GLY n 
1 63  LYS n 
1 64  MET n 
1 65  TYR n 
1 66  TRP n 
1 67  GLU n 
1 68  VAL n 
1 69  ASP n 
1 70  VAL n 
1 71  THR n 
1 72  GLN n 
1 73  LYS n 
1 74  GLU n 
1 75  ALA n 
1 76  TRP n 
1 77  ASP n 
1 78  LEU n 
1 79  GLY n 
1 80  VAL n 
1 81  CYS n 
1 82  ARG n 
1 83  ASP n 
1 84  SER n 
1 85  VAL n 
1 86  GLN n 
1 87  ARG n 
1 88  LYS n 
1 89  GLY n 
1 90  GLN n 
1 91  PHE n 
1 92  SER n 
1 93  LEU n 
1 94  SER n 
1 95  PRO n 
1 96  GLU n 
1 97  ASN n 
1 98  GLY n 
1 99  PHE n 
1 100 TRP n 
1 101 THR n 
1 102 ILE n 
1 103 TRP n 
1 104 LEU n 
1 105 TRP n 
1 106 GLN n 
1 107 ASP n 
1 108 SER n 
1 109 TYR n 
1 110 GLU n 
1 111 ALA n 
1 112 GLY n 
1 113 THR n 
1 114 SER n 
1 115 PRO n 
1 116 GLN n 
1 117 THR n 
1 118 THR n 
1 119 LEU n 
1 120 HIS n 
1 121 ILE n 
1 122 GLN n 
1 123 VAL n 
1 124 PRO n 
1 125 PRO n 
1 126 CYS n 
1 127 GLN n 
1 128 ILE n 
1 129 GLY n 
1 130 ILE n 
1 131 PHE n 
1 132 VAL n 
1 133 ASP n 
1 134 TYR n 
1 135 GLU n 
1 136 ALA n 
1 137 GLY n 
1 138 VAL n 
1 139 VAL n 
1 140 SER n 
1 141 PHE n 
1 142 TYR n 
1 143 ASN n 
1 144 ILE n 
1 145 THR n 
1 146 ASP n 
1 147 HIS n 
1 148 GLY n 
1 149 SER n 
1 150 LEU n 
1 151 ILE n 
1 152 TYR n 
1 153 THR n 
1 154 PHE n 
1 155 SER n 
1 156 GLU n 
1 157 CYS n 
1 158 VAL n 
1 159 PHE n 
1 160 ALA n 
1 161 GLY n 
1 162 PRO n 
1 163 LEU n 
1 164 ARG n 
1 165 PRO n 
1 166 PHE n 
1 167 PHE n 
1 168 ASN n 
1 169 VAL n 
1 170 GLY n 
1 171 PHE n 
1 172 ASN n 
1 173 TYR n 
1 174 SER n 
1 175 GLY n 
1 176 GLY n 
1 177 ASN n 
1 178 ALA n 
1 179 ALA n 
1 180 PRO n 
1 181 LEU n 
1 182 LYS n 
1 183 LEU n 
1 184 CYS n 
1 185 PRO n 
1 186 LEU n 
1 187 LYS n 
1 188 MET n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   188 
_entity_src_gen.gene_src_common_name               'house mouse' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'Trim21, Ro52, Ssa1' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Mus musculus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     10090 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE                                               ?                 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE                                              ?                 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE                                            ?                 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'                                       ?                 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE                                              ?                 'C3 H7 N O2 S'   121.158 
EDO non-polymer         . 1,2-ETHANEDIOL                                        'ETHYLENE GLYCOL' 'C2 H6 O2'       62.068  
EPE non-polymer         . '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID' HEPES             'C8 H18 N2 O4 S' 238.305 
GLN 'L-peptide linking' y GLUTAMINE                                             ?                 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'                                       ?                 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE                                               ?                 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE                                             ?                 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER                                                 ?                 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE                                            ?                 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE                                               ?                 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE                                                ?                 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE                                            ?                 'C5 H11 N O2 S'  149.211 
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 
WKG non-polymer         . '1-(2-azaspiro[5.6]dodecan-2-yl)ethan-1-one'          ?                 'C13 H23 N O'    209.328 
# 
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        WKG 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   WKG 
_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 WKG 1   201 201 WKG LIG B . 
C 3 EDO 1   202 305 EDO EDO B . 
D 4 SO4 1   203 1   SO4 SO4 B . 
E 5 EPE 1   204 202 EPE EPE B . 
F 6 HOH 1   301 11  HOH HOH B . 
F 6 HOH 2   302 107 HOH HOH B . 
F 6 HOH 3   303 9   HOH HOH B . 
F 6 HOH 4   304 2   HOH HOH B . 
F 6 HOH 5   305 29  HOH HOH B . 
F 6 HOH 6   306 26  HOH HOH B . 
F 6 HOH 7   307 63  HOH HOH B . 
F 6 HOH 8   308 80  HOH HOH B . 
F 6 HOH 9   309 99  HOH HOH B . 
F 6 HOH 10  310 21  HOH HOH B . 
F 6 HOH 11  311 102 HOH HOH B . 
F 6 HOH 12  312 33  HOH HOH B . 
F 6 HOH 13  313 120 HOH HOH B . 
F 6 HOH 14  314 51  HOH HOH B . 
F 6 HOH 15  315 10  HOH HOH B . 
F 6 HOH 16  316 25  HOH HOH B . 
F 6 HOH 17  317 16  HOH HOH B . 
F 6 HOH 18  318 1   HOH HOH B . 
F 6 HOH 19  319 27  HOH HOH B . 
F 6 HOH 20  320 90  HOH HOH B . 
F 6 HOH 21  321 40  HOH HOH B . 
F 6 HOH 22  322 129 HOH HOH B . 
F 6 HOH 23  323 5   HOH HOH B . 
F 6 HOH 24  324 85  HOH HOH B . 
F 6 HOH 25  325 211 HOH HOH B . 
F 6 HOH 26  326 11  HOH HOH B . 
F 6 HOH 27  327 184 HOH HOH B . 
F 6 HOH 28  328 70  HOH HOH B . 
F 6 HOH 29  329 267 HOH HOH B . 
F 6 HOH 30  330 34  HOH HOH B . 
F 6 HOH 31  331 27  HOH HOH B . 
F 6 HOH 32  332 214 HOH HOH B . 
F 6 HOH 33  333 116 HOH HOH B . 
F 6 HOH 34  334 16  HOH HOH B . 
F 6 HOH 35  335 58  HOH HOH B . 
F 6 HOH 36  336 263 HOH HOH B . 
F 6 HOH 37  337 36  HOH HOH B . 
F 6 HOH 38  338 89  HOH HOH B . 
F 6 HOH 39  339 39  HOH HOH B . 
F 6 HOH 40  340 22  HOH HOH B . 
F 6 HOH 41  341 7   HOH HOH B . 
F 6 HOH 42  342 19  HOH HOH B . 
F 6 HOH 43  343 95  HOH HOH B . 
F 6 HOH 44  344 68  HOH HOH B . 
F 6 HOH 45  345 5   HOH HOH B . 
F 6 HOH 46  346 2   HOH HOH B . 
F 6 HOH 47  347 20  HOH HOH B . 
F 6 HOH 48  348 59  HOH HOH B . 
F 6 HOH 49  349 18  HOH HOH B . 
F 6 HOH 50  350 100 HOH HOH B . 
F 6 HOH 51  351 26  HOH HOH B . 
F 6 HOH 52  352 76  HOH HOH B . 
F 6 HOH 53  353 31  HOH HOH B . 
F 6 HOH 54  354 50  HOH HOH B . 
F 6 HOH 55  355 93  HOH HOH B . 
F 6 HOH 56  356 157 HOH HOH B . 
F 6 HOH 57  357 33  HOH HOH B . 
F 6 HOH 58  358 29  HOH HOH B . 
F 6 HOH 59  359 86  HOH HOH B . 
F 6 HOH 60  360 72  HOH HOH B . 
F 6 HOH 61  361 30  HOH HOH B . 
F 6 HOH 62  362 81  HOH HOH B . 
F 6 HOH 63  363 126 HOH HOH B . 
F 6 HOH 64  364 125 HOH HOH B . 
F 6 HOH 65  365 6   HOH HOH B . 
F 6 HOH 66  366 137 HOH HOH B . 
F 6 HOH 67  367 62  HOH HOH B . 
F 6 HOH 68  368 71  HOH HOH B . 
F 6 HOH 69  369 3   HOH HOH B . 
F 6 HOH 70  370 64  HOH HOH B . 
F 6 HOH 71  371 4   HOH HOH B . 
F 6 HOH 72  372 43  HOH HOH B . 
F 6 HOH 73  373 4   HOH HOH B . 
F 6 HOH 74  374 1   HOH HOH B . 
F 6 HOH 75  375 10  HOH HOH B . 
F 6 HOH 76  376 8   HOH HOH B . 
F 6 HOH 77  377 15  HOH HOH B . 
F 6 HOH 78  378 47  HOH HOH B . 
F 6 HOH 79  379 304 HOH HOH B . 
F 6 HOH 80  380 61  HOH HOH B . 
F 6 HOH 81  381 55  HOH HOH B . 
F 6 HOH 82  382 42  HOH HOH B . 
F 6 HOH 83  383 281 HOH HOH B . 
F 6 HOH 84  384 156 HOH HOH B . 
F 6 HOH 85  385 14  HOH HOH B . 
F 6 HOH 86  386 32  HOH HOH B . 
F 6 HOH 87  387 97  HOH HOH B . 
F 6 HOH 88  388 17  HOH HOH B . 
F 6 HOH 89  389 3   HOH HOH B . 
F 6 HOH 90  390 60  HOH HOH B . 
F 6 HOH 91  391 48  HOH HOH B . 
F 6 HOH 92  392 23  HOH HOH B . 
F 6 HOH 93  393 303 HOH HOH B . 
F 6 HOH 94  394 45  HOH HOH B . 
F 6 HOH 95  395 24  HOH HOH B . 
F 6 HOH 96  396 13  HOH HOH B . 
F 6 HOH 97  397 49  HOH HOH B . 
F 6 HOH 98  398 32  HOH HOH B . 
F 6 HOH 99  399 46  HOH HOH B . 
F 6 HOH 100 400 73  HOH HOH B . 
F 6 HOH 101 401 12  HOH HOH B . 
F 6 HOH 102 402 8   HOH HOH B . 
F 6 HOH 103 403 56  HOH HOH B . 
F 6 HOH 104 404 25  HOH HOH B . 
F 6 HOH 105 405 20  HOH HOH B . 
F 6 HOH 106 406 197 HOH HOH B . 
F 6 HOH 107 407 57  HOH HOH B . 
F 6 HOH 108 408 112 HOH HOH B . 
F 6 HOH 109 409 133 HOH HOH B . 
F 6 HOH 110 410 7   HOH HOH B . 
F 6 HOH 111 411 18  HOH HOH B . 
F 6 HOH 112 412 53  HOH HOH B . 
F 6 HOH 113 413 257 HOH HOH B . 
F 6 HOH 114 414 15  HOH HOH B . 
F 6 HOH 115 415 38  HOH HOH B . 
F 6 HOH 116 416 41  HOH HOH B . 
F 6 HOH 117 417 22  HOH HOH B . 
F 6 HOH 118 418 140 HOH HOH B . 
F 6 HOH 119 419 54  HOH HOH B . 
F 6 HOH 120 420 69  HOH HOH B . 
F 6 HOH 121 421 154 HOH HOH B . 
F 6 HOH 122 422 44  HOH HOH B . 
F 6 HOH 123 423 103 HOH HOH B . 
F 6 HOH 124 424 114 HOH HOH B . 
F 6 HOH 125 425 19  HOH HOH B . 
F 6 HOH 126 426 264 HOH HOH B . 
F 6 HOH 127 427 266 HOH HOH B . 
F 6 HOH 128 428 115 HOH HOH B . 
F 6 HOH 129 429 30  HOH HOH B . 
F 6 HOH 130 430 13  HOH HOH B . 
F 6 HOH 131 431 21  HOH HOH B . 
F 6 HOH 132 432 23  HOH HOH B . 
F 6 HOH 133 433 98  HOH HOH B . 
F 6 HOH 134 434 104 HOH HOH B . 
F 6 HOH 135 435 82  HOH HOH B . 
F 6 HOH 136 436 127 HOH HOH B . 
F 6 HOH 137 437 259 HOH HOH B . 
F 6 HOH 138 438 14  HOH HOH B . 
F 6 HOH 139 439 166 HOH HOH B . 
F 6 HOH 140 440 131 HOH HOH B . 
F 6 HOH 141 441 270 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           7HNK 
_cell.length_a           95.572 
_cell.length_b           95.572 
_cell.length_c           45.879 
_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                         7HNK 
_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          7HNK 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.43 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   49.29 
_exptl_crystal.size_max              ? 
_exptl_crystal.size_mid              ? 
_exptl_crystal.size_min              ? 
_exptl_crystal.size_rad              ? 
_exptl_crystal.description           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.pH              8 
_exptl_crystal_grow.temp            293 
_exptl_crystal_grow.pdbx_details    '4 % PEG 400, 2 M AmmSO4, 0.1 M HEPES pH 8' 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           100 
_diffrn.crystal_id             1 
_diffrn.ambient_temp_details   ? 
# 
_diffrn_detector.detector               PIXEL 
_diffrn_detector.type                   'DECTRIS EIGER2 XE 9M' 
_diffrn_detector.pdbx_collection_date   2024-07-03 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.92134 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'DIAMOND BEAMLINE I04-1' 
_diffrn_source.pdbx_wavelength_list        0.92134 
_diffrn_source.pdbx_synchrotron_site       Diamond 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HNK 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             41.360 
_reflns.d_resolution_high            1.390 
_reflns.number_obs                   41764 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         100.000 
_reflns.pdbx_Rmerge_I_obs            0.130 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        10.700 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              12.400 
_reflns.pdbx_Rrim_I_all              0.135 
_reflns.pdbx_Rpim_I_all              0.037 
_reflns.pdbx_CC_half                 0.995 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     517738 
_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 1.390 1.410  ? 16911 2067 ? 2.108 ? ? ? 8.200  ? 0.700  ? ? ? ? ? ? 100.000 2.251 0.782 0.436 
1 2 7.610 41.360 ? 3297  279  ? 0.134 ? ? ? 11.800 ? 36.700 ? ? ? ? ? ? 99.500  0.141 0.043 0.933 
# 
_refine.entry_id                                 7HNK 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.3900 
_refine.ls_d_res_low                             41.3900 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    99.8800 
_refine.ls_number_reflns_obs                     39723 
_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                          0.1824 
_refine.ls_R_factor_R_work                       0.1812 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.2050 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.9000 
_refine.ls_number_reflns_R_free                  2035 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               19.6540 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.1300 
_refine.aniso_B[2][2]                            0.1300 
_refine.aniso_B[3][3]                            -0.2600 
_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               0.9670 
_refine.correlation_coeff_Fo_to_Fc_free          0.9600 
_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                       0.0640 
_refine.pdbx_overall_ESU_R_Free                  0.0650 
_refine.overall_SU_ML                            0.0550 
_refine.overall_SU_B                             1.4930 
_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                                91.260 
_refine.B_iso_min                                10.740 
_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                       1.3900 
_refine_hist.d_res_low                        41.3900 
_refine_hist.pdbx_number_atoms_ligand         39 
_refine_hist.number_atoms_solvent             141 
_refine_hist.number_atoms_total               1673 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           31.05 
_refine_hist.pdbx_B_iso_mean_solvent          31.43 
_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       2108 0.011  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1690 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2609 1.745  1.645  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3915 1.425  1.575  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 241  6.993  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 112  26.924 20.982 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 288  12.454 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   23.687 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         222  0.087  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2279 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     507  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            974  1.683  1.786  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         965  1.665  1.768  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1153 2.596  2.657  ? ? 
# 
_refine_ls_shell.d_res_high                       1.3900 
_refine_ls_shell.d_res_low                        1.4260 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               99.2200 
_refine_ls_shell.number_reflns_R_work             2907 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3270 
_refine_ls_shell.R_factor_R_free                  0.3200 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             155 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                3062 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HNK 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1275599911' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HNK 
_struct_keywords.text            'SGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, TRIM21, LIGASE' 
_struct_keywords.pdbx_keywords   LIGASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
E N N 5 ? 
F N N 6 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    RO52_MOUSE 
_struct_ref.pdbx_db_accession          Q62191 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;VHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGVCRDSVQRK
GQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFAGPLRPFFN
VGFNYSGGNAAPLKLCPLKM
;
_struct_ref.pdbx_align_begin           291 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              7HNK 
_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 7HNK MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HNK HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HNK HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HNK HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HNK HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HNK HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HNK HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HNK 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       -1.97 
# 
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                   7HNK 
_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_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    ASP 
_pdbx_validate_torsion.auth_asym_id    B 
_pdbx_validate_torsion.auth_seq_id     152 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -103.11 
_pdbx_validate_torsion.psi             49.79 
# 
_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     424 
_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  
EPE N1   N N N 98  
EPE C2   C N N 99  
EPE C3   C N N 100 
EPE N4   N N N 101 
EPE C5   C N N 102 
EPE C6   C N N 103 
EPE C7   C N N 104 
EPE C8   C N N 105 
EPE O8   O N N 106 
EPE C9   C N N 107 
EPE C10  C N N 108 
EPE S    S N N 109 
EPE O1S  O N N 110 
EPE O2S  O N N 111 
EPE O3S  O N N 112 
EPE H21  H N N 113 
EPE H22  H N N 114 
EPE H31  H N N 115 
EPE H32  H N N 116 
EPE H51  H N N 117 
EPE H52  H N N 118 
EPE H61  H N N 119 
EPE H62  H N N 120 
EPE H71  H N N 121 
EPE H72  H N N 122 
EPE H81  H N N 123 
EPE H82  H N N 124 
EPE HO8  H N N 125 
EPE H91  H N N 126 
EPE H92  H N N 127 
EPE H101 H N N 128 
EPE H102 H N N 129 
EPE HOS3 H N N 130 
GLN N    N N N 131 
GLN CA   C N S 132 
GLN C    C N N 133 
GLN O    O N N 134 
GLN CB   C N N 135 
GLN CG   C N N 136 
GLN CD   C N N 137 
GLN OE1  O N N 138 
GLN NE2  N N N 139 
GLN OXT  O N N 140 
GLN H    H N N 141 
GLN H2   H N N 142 
GLN HA   H N N 143 
GLN HB2  H N N 144 
GLN HB3  H N N 145 
GLN HG2  H N N 146 
GLN HG3  H N N 147 
GLN HE21 H N N 148 
GLN HE22 H N N 149 
GLN HXT  H N N 150 
GLU N    N N N 151 
GLU CA   C N S 152 
GLU C    C N N 153 
GLU O    O N N 154 
GLU CB   C N N 155 
GLU CG   C N N 156 
GLU CD   C N N 157 
GLU OE1  O N N 158 
GLU OE2  O N N 159 
GLU OXT  O N N 160 
GLU H    H N N 161 
GLU H2   H N N 162 
GLU HA   H N N 163 
GLU HB2  H N N 164 
GLU HB3  H N N 165 
GLU HG2  H N N 166 
GLU HG3  H N N 167 
GLU HE2  H N N 168 
GLU HXT  H N N 169 
GLY N    N N N 170 
GLY CA   C N N 171 
GLY C    C N N 172 
GLY O    O N N 173 
GLY OXT  O N N 174 
GLY H    H N N 175 
GLY H2   H N N 176 
GLY HA2  H N N 177 
GLY HA3  H N N 178 
GLY HXT  H N N 179 
HIS N    N N N 180 
HIS CA   C N S 181 
HIS C    C N N 182 
HIS O    O N N 183 
HIS CB   C N N 184 
HIS CG   C Y N 185 
HIS ND1  N Y N 186 
HIS CD2  C Y N 187 
HIS CE1  C Y N 188 
HIS NE2  N Y N 189 
HIS OXT  O N N 190 
HIS H    H N N 191 
HIS H2   H N N 192 
HIS HA   H N N 193 
HIS HB2  H N N 194 
HIS HB3  H N N 195 
HIS HD1  H N N 196 
HIS HD2  H N N 197 
HIS HE1  H N N 198 
HIS HE2  H N N 199 
HIS HXT  H N N 200 
HOH O    O N N 201 
HOH H1   H N N 202 
HOH H2   H N N 203 
ILE N    N N N 204 
ILE CA   C N S 205 
ILE C    C N N 206 
ILE O    O N N 207 
ILE CB   C N S 208 
ILE CG1  C N N 209 
ILE CG2  C N N 210 
ILE CD1  C N N 211 
ILE OXT  O N N 212 
ILE H    H N N 213 
ILE H2   H N N 214 
ILE HA   H N N 215 
ILE HB   H N N 216 
ILE HG12 H N N 217 
ILE HG13 H N N 218 
ILE HG21 H N N 219 
ILE HG22 H N N 220 
ILE HG23 H N N 221 
ILE HD11 H N N 222 
ILE HD12 H N N 223 
ILE HD13 H N N 224 
ILE HXT  H N N 225 
LEU N    N N N 226 
LEU CA   C N S 227 
LEU C    C N N 228 
LEU O    O N N 229 
LEU CB   C N N 230 
LEU CG   C N N 231 
LEU CD1  C N N 232 
LEU CD2  C N N 233 
LEU OXT  O N N 234 
LEU H    H N N 235 
LEU H2   H N N 236 
LEU HA   H N N 237 
LEU HB2  H N N 238 
LEU HB3  H N N 239 
LEU HG   H N N 240 
LEU HD11 H N N 241 
LEU HD12 H N N 242 
LEU HD13 H N N 243 
LEU HD21 H N N 244 
LEU HD22 H N N 245 
LEU HD23 H N N 246 
LEU HXT  H N N 247 
LYS N    N N N 248 
LYS CA   C N S 249 
LYS C    C N N 250 
LYS O    O N N 251 
LYS CB   C N N 252 
LYS CG   C N N 253 
LYS CD   C N N 254 
LYS CE   C N N 255 
LYS NZ   N N N 256 
LYS OXT  O N N 257 
LYS H    H N N 258 
LYS H2   H N N 259 
LYS HA   H N N 260 
LYS HB2  H N N 261 
LYS HB3  H N N 262 
LYS HG2  H N N 263 
LYS HG3  H N N 264 
LYS HD2  H N N 265 
LYS HD3  H N N 266 
LYS HE2  H N N 267 
LYS HE3  H N N 268 
LYS HZ1  H N N 269 
LYS HZ2  H N N 270 
LYS HZ3  H N N 271 
LYS HXT  H N N 272 
MET N    N N N 273 
MET CA   C N S 274 
MET C    C N N 275 
MET O    O N N 276 
MET CB   C N N 277 
MET CG   C N N 278 
MET SD   S N N 279 
MET CE   C N N 280 
MET OXT  O N N 281 
MET H    H N N 282 
MET H2   H N N 283 
MET HA   H N N 284 
MET HB2  H N N 285 
MET HB3  H N N 286 
MET HG2  H N N 287 
MET HG3  H N N 288 
MET HE1  H N N 289 
MET HE2  H N N 290 
MET HE3  H N N 291 
MET HXT  H N N 292 
PHE N    N N N 293 
PHE CA   C N S 294 
PHE C    C N N 295 
PHE O    O N N 296 
PHE CB   C N N 297 
PHE CG   C Y N 298 
PHE CD1  C Y N 299 
PHE CD2  C Y N 300 
PHE CE1  C Y N 301 
PHE CE2  C Y N 302 
PHE CZ   C Y N 303 
PHE OXT  O N N 304 
PHE H    H N N 305 
PHE H2   H N N 306 
PHE HA   H N N 307 
PHE HB2  H N N 308 
PHE HB3  H N N 309 
PHE HD1  H N N 310 
PHE HD2  H N N 311 
PHE HE1  H N N 312 
PHE HE2  H N N 313 
PHE HZ   H N N 314 
PHE HXT  H N N 315 
PRO N    N N N 316 
PRO CA   C N S 317 
PRO C    C N N 318 
PRO O    O N N 319 
PRO CB   C N N 320 
PRO CG   C N N 321 
PRO CD   C N N 322 
PRO OXT  O N N 323 
PRO H    H N N 324 
PRO HA   H N N 325 
PRO HB2  H N N 326 
PRO HB3  H N N 327 
PRO HG2  H N N 328 
PRO HG3  H N N 329 
PRO HD2  H N N 330 
PRO HD3  H N N 331 
PRO HXT  H N N 332 
SER N    N N N 333 
SER CA   C N S 334 
SER C    C N N 335 
SER O    O N N 336 
SER CB   C N N 337 
SER OG   O N N 338 
SER OXT  O N N 339 
SER H    H N N 340 
SER H2   H N N 341 
SER HA   H N N 342 
SER HB2  H N N 343 
SER HB3  H N N 344 
SER HG   H N N 345 
SER HXT  H N N 346 
SO4 S    S N N 347 
SO4 O1   O N N 348 
SO4 O2   O N N 349 
SO4 O3   O N N 350 
SO4 O4   O N N 351 
THR N    N N N 352 
THR CA   C N S 353 
THR C    C N N 354 
THR O    O N N 355 
THR CB   C N R 356 
THR OG1  O N N 357 
THR CG2  C N N 358 
THR OXT  O N N 359 
THR H    H N N 360 
THR H2   H N N 361 
THR HA   H N N 362 
THR HB   H N N 363 
THR HG1  H N N 364 
THR HG21 H N N 365 
THR HG22 H N N 366 
THR HG23 H N N 367 
THR HXT  H N N 368 
TRP N    N N N 369 
TRP CA   C N S 370 
TRP C    C N N 371 
TRP O    O N N 372 
TRP CB   C N N 373 
TRP CG   C Y N 374 
TRP CD1  C Y N 375 
TRP CD2  C Y N 376 
TRP NE1  N Y N 377 
TRP CE2  C Y N 378 
TRP CE3  C Y N 379 
TRP CZ2  C Y N 380 
TRP CZ3  C Y N 381 
TRP CH2  C Y N 382 
TRP OXT  O N N 383 
TRP H    H N N 384 
TRP H2   H N N 385 
TRP HA   H N N 386 
TRP HB2  H N N 387 
TRP HB3  H N N 388 
TRP HD1  H N N 389 
TRP HE1  H N N 390 
TRP HE3  H N N 391 
TRP HZ2  H N N 392 
TRP HZ3  H N N 393 
TRP HH2  H N N 394 
TRP HXT  H N N 395 
TYR N    N N N 396 
TYR CA   C N S 397 
TYR C    C N N 398 
TYR O    O N N 399 
TYR CB   C N N 400 
TYR CG   C Y N 401 
TYR CD1  C Y N 402 
TYR CD2  C Y N 403 
TYR CE1  C Y N 404 
TYR CE2  C Y N 405 
TYR CZ   C Y N 406 
TYR OH   O N N 407 
TYR OXT  O N N 408 
TYR H    H N N 409 
TYR H2   H N N 410 
TYR HA   H N N 411 
TYR HB2  H N N 412 
TYR HB3  H N N 413 
TYR HD1  H N N 414 
TYR HD2  H N N 415 
TYR HE1  H N N 416 
TYR HE2  H N N 417 
TYR HH   H N N 418 
TYR HXT  H N N 419 
VAL N    N N N 420 
VAL CA   C N S 421 
VAL C    C N N 422 
VAL O    O N N 423 
VAL CB   C N N 424 
VAL CG1  C N N 425 
VAL CG2  C N N 426 
VAL OXT  O N N 427 
VAL H    H N N 428 
VAL H2   H N N 429 
VAL HA   H N N 430 
VAL HB   H N N 431 
VAL HG11 H N N 432 
VAL HG12 H N N 433 
VAL HG13 H N N 434 
VAL HG21 H N N 435 
VAL HG22 H N N 436 
VAL HG23 H N N 437 
VAL HXT  H N N 438 
WKG C10  C N N 439 
WKG C13  C N N 440 
WKG C15  C N N 441 
WKG C01  C N N 442 
WKG C02  C N N 443 
WKG C05  C N N 444 
WKG C06  C N N 445 
WKG C07  C N N 446 
WKG C08  C N N 447 
WKG C09  C N N 448 
WKG C11  C N N 449 
WKG C12  C N N 450 
WKG C14  C N N 451 
WKG N04  N N N 452 
WKG O03  O N N 453 
WKG H1   H N N 454 
WKG H2   H N N 455 
WKG H3   H N N 456 
WKG H4   H N N 457 
WKG H5   H N N 458 
WKG H6   H N N 459 
WKG H7   H N N 460 
WKG H8   H N N 461 
WKG H9   H N N 462 
WKG H10  H N N 463 
WKG H11  H N N 464 
WKG H12  H N N 465 
WKG H13  H N N 466 
WKG H14  H N N 467 
WKG H15  H N N 468 
WKG H16  H N N 469 
WKG H17  H N N 470 
WKG H18  H N N 471 
WKG H19  H N N 472 
WKG H20  H N N 473 
WKG H21  H N N 474 
WKG H22  H N N 475 
WKG H23  H N N 476 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
EDO C1  O1   sing N N 83  
EDO C1  C2   sing N N 84  
EDO C1  H11  sing N N 85  
EDO C1  H12  sing N N 86  
EDO O1  HO1  sing N N 87  
EDO C2  O2   sing N N 88  
EDO C2  H21  sing N N 89  
EDO C2  H22  sing N N 90  
EDO O2  HO2  sing N N 91  
EPE N1  C2   sing N N 92  
EPE N1  C6   sing N N 93  
EPE N1  C9   sing N N 94  
EPE C2  C3   sing N N 95  
EPE C2  H21  sing N N 96  
EPE C2  H22  sing N N 97  
EPE C3  N4   sing N N 98  
EPE C3  H31  sing N N 99  
EPE C3  H32  sing N N 100 
EPE N4  C5   sing N N 101 
EPE N4  C7   sing N N 102 
EPE C5  C6   sing N N 103 
EPE C5  H51  sing N N 104 
EPE C5  H52  sing N N 105 
EPE C6  H61  sing N N 106 
EPE C6  H62  sing N N 107 
EPE C7  C8   sing N N 108 
EPE C7  H71  sing N N 109 
EPE C7  H72  sing N N 110 
EPE C8  O8   sing N N 111 
EPE C8  H81  sing N N 112 
EPE C8  H82  sing N N 113 
EPE O8  HO8  sing N N 114 
EPE C9  C10  sing N N 115 
EPE C9  H91  sing N N 116 
EPE C9  H92  sing N N 117 
EPE C10 S    sing N N 118 
EPE C10 H101 sing N N 119 
EPE C10 H102 sing N N 120 
EPE S   O1S  doub N N 121 
EPE S   O2S  doub N N 122 
EPE S   O3S  sing N N 123 
EPE O3S HOS3 sing N N 124 
GLN N   CA   sing N N 125 
GLN N   H    sing N N 126 
GLN N   H2   sing N N 127 
GLN CA  C    sing N N 128 
GLN CA  CB   sing N N 129 
GLN CA  HA   sing N N 130 
GLN C   O    doub N N 131 
GLN C   OXT  sing N N 132 
GLN CB  CG   sing N N 133 
GLN CB  HB2  sing N N 134 
GLN CB  HB3  sing N N 135 
GLN CG  CD   sing N N 136 
GLN CG  HG2  sing N N 137 
GLN CG  HG3  sing N N 138 
GLN CD  OE1  doub N N 139 
GLN CD  NE2  sing N N 140 
GLN NE2 HE21 sing N N 141 
GLN NE2 HE22 sing N N 142 
GLN OXT HXT  sing N N 143 
GLU N   CA   sing N N 144 
GLU N   H    sing N N 145 
GLU N   H2   sing N N 146 
GLU CA  C    sing N N 147 
GLU CA  CB   sing N N 148 
GLU CA  HA   sing N N 149 
GLU C   O    doub N N 150 
GLU C   OXT  sing N N 151 
GLU CB  CG   sing N N 152 
GLU CB  HB2  sing N N 153 
GLU CB  HB3  sing N N 154 
GLU CG  CD   sing N N 155 
GLU CG  HG2  sing N N 156 
GLU CG  HG3  sing N N 157 
GLU CD  OE1  doub N N 158 
GLU CD  OE2  sing N N 159 
GLU OE2 HE2  sing N N 160 
GLU OXT HXT  sing N N 161 
GLY N   CA   sing N N 162 
GLY N   H    sing N N 163 
GLY N   H2   sing N N 164 
GLY CA  C    sing N N 165 
GLY CA  HA2  sing N N 166 
GLY CA  HA3  sing N N 167 
GLY C   O    doub N N 168 
GLY C   OXT  sing N N 169 
GLY OXT HXT  sing N N 170 
HIS N   CA   sing N N 171 
HIS N   H    sing N N 172 
HIS N   H2   sing N N 173 
HIS CA  C    sing N N 174 
HIS CA  CB   sing N N 175 
HIS CA  HA   sing N N 176 
HIS C   O    doub N N 177 
HIS C   OXT  sing N N 178 
HIS CB  CG   sing N N 179 
HIS CB  HB2  sing N N 180 
HIS CB  HB3  sing N N 181 
HIS CG  ND1  sing Y N 182 
HIS CG  CD2  doub Y N 183 
HIS ND1 CE1  doub Y N 184 
HIS ND1 HD1  sing N N 185 
HIS CD2 NE2  sing Y N 186 
HIS CD2 HD2  sing N N 187 
HIS CE1 NE2  sing Y N 188 
HIS CE1 HE1  sing N N 189 
HIS NE2 HE2  sing N N 190 
HIS OXT HXT  sing N N 191 
HOH O   H1   sing N N 192 
HOH O   H2   sing N N 193 
ILE N   CA   sing N N 194 
ILE N   H    sing N N 195 
ILE N   H2   sing N N 196 
ILE CA  C    sing N N 197 
ILE CA  CB   sing N N 198 
ILE CA  HA   sing N N 199 
ILE C   O    doub N N 200 
ILE C   OXT  sing N N 201 
ILE CB  CG1  sing N N 202 
ILE CB  CG2  sing N N 203 
ILE CB  HB   sing N N 204 
ILE CG1 CD1  sing N N 205 
ILE CG1 HG12 sing N N 206 
ILE CG1 HG13 sing N N 207 
ILE CG2 HG21 sing N N 208 
ILE CG2 HG22 sing N N 209 
ILE CG2 HG23 sing N N 210 
ILE CD1 HD11 sing N N 211 
ILE CD1 HD12 sing N N 212 
ILE CD1 HD13 sing N N 213 
ILE OXT HXT  sing N N 214 
LEU N   CA   sing N N 215 
LEU N   H    sing N N 216 
LEU N   H2   sing N N 217 
LEU CA  C    sing N N 218 
LEU CA  CB   sing N N 219 
LEU CA  HA   sing N N 220 
LEU C   O    doub N N 221 
LEU C   OXT  sing N N 222 
LEU CB  CG   sing N N 223 
LEU CB  HB2  sing N N 224 
LEU CB  HB3  sing N N 225 
LEU CG  CD1  sing N N 226 
LEU CG  CD2  sing N N 227 
LEU CG  HG   sing N N 228 
LEU CD1 HD11 sing N N 229 
LEU CD1 HD12 sing N N 230 
LEU CD1 HD13 sing N N 231 
LEU CD2 HD21 sing N N 232 
LEU CD2 HD22 sing N N 233 
LEU CD2 HD23 sing N N 234 
LEU OXT HXT  sing N N 235 
LYS N   CA   sing N N 236 
LYS N   H    sing N N 237 
LYS N   H2   sing N N 238 
LYS CA  C    sing N N 239 
LYS CA  CB   sing N N 240 
LYS CA  HA   sing N N 241 
LYS C   O    doub N N 242 
LYS C   OXT  sing N N 243 
LYS CB  CG   sing N N 244 
LYS CB  HB2  sing N N 245 
LYS CB  HB3  sing N N 246 
LYS CG  CD   sing N N 247 
LYS CG  HG2  sing N N 248 
LYS CG  HG3  sing N N 249 
LYS CD  CE   sing N N 250 
LYS CD  HD2  sing N N 251 
LYS CD  HD3  sing N N 252 
LYS CE  NZ   sing N N 253 
LYS CE  HE2  sing N N 254 
LYS CE  HE3  sing N N 255 
LYS NZ  HZ1  sing N N 256 
LYS NZ  HZ2  sing N N 257 
LYS NZ  HZ3  sing N N 258 
LYS OXT HXT  sing N N 259 
MET N   CA   sing N N 260 
MET N   H    sing N N 261 
MET N   H2   sing N N 262 
MET CA  C    sing N N 263 
MET CA  CB   sing N N 264 
MET CA  HA   sing N N 265 
MET C   O    doub N N 266 
MET C   OXT  sing N N 267 
MET CB  CG   sing N N 268 
MET CB  HB2  sing N N 269 
MET CB  HB3  sing N N 270 
MET CG  SD   sing N N 271 
MET CG  HG2  sing N N 272 
MET CG  HG3  sing N N 273 
MET SD  CE   sing N N 274 
MET CE  HE1  sing N N 275 
MET CE  HE2  sing N N 276 
MET CE  HE3  sing N N 277 
MET OXT HXT  sing N N 278 
PHE N   CA   sing N N 279 
PHE N   H    sing N N 280 
PHE N   H2   sing N N 281 
PHE CA  C    sing N N 282 
PHE CA  CB   sing N N 283 
PHE CA  HA   sing N N 284 
PHE C   O    doub N N 285 
PHE C   OXT  sing N N 286 
PHE CB  CG   sing N N 287 
PHE CB  HB2  sing N N 288 
PHE CB  HB3  sing N N 289 
PHE CG  CD1  doub Y N 290 
PHE CG  CD2  sing Y N 291 
PHE CD1 CE1  sing Y N 292 
PHE CD1 HD1  sing N N 293 
PHE CD2 CE2  doub Y N 294 
PHE CD2 HD2  sing N N 295 
PHE CE1 CZ   doub Y N 296 
PHE CE1 HE1  sing N N 297 
PHE CE2 CZ   sing Y N 298 
PHE CE2 HE2  sing N N 299 
PHE CZ  HZ   sing N N 300 
PHE OXT HXT  sing N N 301 
PRO N   CA   sing N N 302 
PRO N   CD   sing N N 303 
PRO N   H    sing N N 304 
PRO CA  C    sing N N 305 
PRO CA  CB   sing N N 306 
PRO CA  HA   sing N N 307 
PRO C   O    doub N N 308 
PRO C   OXT  sing N N 309 
PRO CB  CG   sing N N 310 
PRO CB  HB2  sing N N 311 
PRO CB  HB3  sing N N 312 
PRO CG  CD   sing N N 313 
PRO CG  HG2  sing N N 314 
PRO CG  HG3  sing N N 315 
PRO CD  HD2  sing N N 316 
PRO CD  HD3  sing N N 317 
PRO OXT HXT  sing N N 318 
SER N   CA   sing N N 319 
SER N   H    sing N N 320 
SER N   H2   sing N N 321 
SER CA  C    sing N N 322 
SER CA  CB   sing N N 323 
SER CA  HA   sing N N 324 
SER C   O    doub N N 325 
SER C   OXT  sing N N 326 
SER CB  OG   sing N N 327 
SER CB  HB2  sing N N 328 
SER CB  HB3  sing N N 329 
SER OG  HG   sing N N 330 
SER OXT HXT  sing N N 331 
SO4 S   O1   doub N N 332 
SO4 S   O2   doub N N 333 
SO4 S   O3   sing N N 334 
SO4 S   O4   sing N N 335 
THR N   CA   sing N N 336 
THR N   H    sing N N 337 
THR N   H2   sing N N 338 
THR CA  C    sing N N 339 
THR CA  CB   sing N N 340 
THR CA  HA   sing N N 341 
THR C   O    doub N N 342 
THR C   OXT  sing N N 343 
THR CB  OG1  sing N N 344 
THR CB  CG2  sing N N 345 
THR CB  HB   sing N N 346 
THR OG1 HG1  sing N N 347 
THR CG2 HG21 sing N N 348 
THR CG2 HG22 sing N N 349 
THR CG2 HG23 sing N N 350 
THR OXT HXT  sing N N 351 
TRP N   CA   sing N N 352 
TRP N   H    sing N N 353 
TRP N   H2   sing N N 354 
TRP CA  C    sing N N 355 
TRP CA  CB   sing N N 356 
TRP CA  HA   sing N N 357 
TRP C   O    doub N N 358 
TRP C   OXT  sing N N 359 
TRP CB  CG   sing N N 360 
TRP CB  HB2  sing N N 361 
TRP CB  HB3  sing N N 362 
TRP CG  CD1  doub Y N 363 
TRP CG  CD2  sing Y N 364 
TRP CD1 NE1  sing Y N 365 
TRP CD1 HD1  sing N N 366 
TRP CD2 CE2  doub Y N 367 
TRP CD2 CE3  sing Y N 368 
TRP NE1 CE2  sing Y N 369 
TRP NE1 HE1  sing N N 370 
TRP CE2 CZ2  sing Y N 371 
TRP CE3 CZ3  doub Y N 372 
TRP CE3 HE3  sing N N 373 
TRP CZ2 CH2  doub Y N 374 
TRP CZ2 HZ2  sing N N 375 
TRP CZ3 CH2  sing Y N 376 
TRP CZ3 HZ3  sing N N 377 
TRP CH2 HH2  sing N N 378 
TRP OXT HXT  sing N N 379 
TYR N   CA   sing N N 380 
TYR N   H    sing N N 381 
TYR N   H2   sing N N 382 
TYR CA  C    sing N N 383 
TYR CA  CB   sing N N 384 
TYR CA  HA   sing N N 385 
TYR C   O    doub N N 386 
TYR C   OXT  sing N N 387 
TYR CB  CG   sing N N 388 
TYR CB  HB2  sing N N 389 
TYR CB  HB3  sing N N 390 
TYR CG  CD1  doub Y N 391 
TYR CG  CD2  sing Y N 392 
TYR CD1 CE1  sing Y N 393 
TYR CD1 HD1  sing N N 394 
TYR CD2 CE2  doub Y N 395 
TYR CD2 HD2  sing N N 396 
TYR CE1 CZ   doub Y N 397 
TYR CE1 HE1  sing N N 398 
TYR CE2 CZ   sing Y N 399 
TYR CE2 HE2  sing N N 400 
TYR CZ  OH   sing N N 401 
TYR OH  HH   sing N N 402 
TYR OXT HXT  sing N N 403 
VAL N   CA   sing N N 404 
VAL N   H    sing N N 405 
VAL N   H2   sing N N 406 
VAL CA  C    sing N N 407 
VAL CA  CB   sing N N 408 
VAL CA  HA   sing N N 409 
VAL C   O    doub N N 410 
VAL C   OXT  sing N N 411 
VAL CB  CG1  sing N N 412 
VAL CB  CG2  sing N N 413 
VAL CB  HB   sing N N 414 
VAL CG1 HG11 sing N N 415 
VAL CG1 HG12 sing N N 416 
VAL CG1 HG13 sing N N 417 
VAL CG2 HG21 sing N N 418 
VAL CG2 HG22 sing N N 419 
VAL CG2 HG23 sing N N 420 
VAL OXT HXT  sing N N 421 
WKG C11 C12  sing N N 422 
WKG C11 C10  sing N N 423 
WKG C12 C13  sing N N 424 
WKG C06 C07  sing N N 425 
WKG C06 C05  sing N N 426 
WKG C07 C08  sing N N 427 
WKG C10 C08  sing N N 428 
WKG C13 C14  sing N N 429 
WKG C08 C15  sing N N 430 
WKG C08 C09  sing N N 431 
WKG C05 N04  sing N N 432 
WKG C15 C14  sing N N 433 
WKG N04 C09  sing N N 434 
WKG N04 C02  sing N N 435 
WKG C01 C02  sing N N 436 
WKG C02 O03  doub N N 437 
WKG C10 H1   sing N N 438 
WKG C10 H2   sing N N 439 
WKG C13 H3   sing N N 440 
WKG C13 H4   sing N N 441 
WKG C15 H5   sing N N 442 
WKG C15 H6   sing N N 443 
WKG C01 H7   sing N N 444 
WKG C01 H8   sing N N 445 
WKG C01 H9   sing N N 446 
WKG C05 H10  sing N N 447 
WKG C05 H11  sing N N 448 
WKG C06 H12  sing N N 449 
WKG C06 H13  sing N N 450 
WKG C07 H14  sing N N 451 
WKG C07 H15  sing N N 452 
WKG C09 H16  sing N N 453 
WKG C09 H17  sing N N 454 
WKG C11 H18  sing N N 455 
WKG C11 H19  sing N N 456 
WKG C12 H20  sing N N 457 
WKG C12 H21  sing N N 458 
WKG C14 H22  sing N N 459 
WKG C14 H23  sing N N 460 
# 
_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                    7HNK 
_atom_sites.fract_transf_matrix[1][1]   0.010463 
_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]   0.010463 
_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]   0.021796 
_atom_sites.fract_transf_vector[1]      0.000000 
_atom_sites.fract_transf_vector[2]      0.000000 
_atom_sites.fract_transf_vector[3]      0.000000 
# 
loop_
_atom_type.symbol 
C 
N 
O 
S 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N   . HIS A 1 2   ? -13.204 -12.823 -10.026 1.00 79.18 ? 8   HIS B N   1 
ATOM   2    C CA  . HIS A 1 2   ? -12.679 -13.460 -11.278 1.00 73.66 ? 8   HIS B CA  1 
ATOM   3    C C   . HIS A 1 2   ? -11.603 -12.564 -11.902 1.00 73.83 ? 8   HIS B C   1 
ATOM   4    O O   . HIS A 1 2   ? -11.551 -11.360 -11.551 1.00 77.87 ? 8   HIS B O   1 
ATOM   5    C CB  . HIS A 1 2   ? -13.819 -13.728 -12.273 1.00 65.36 ? 8   HIS B CB  1 
ATOM   6    C CG  . HIS A 1 2   ? -14.468 -12.485 -12.793 1.00 61.75 ? 8   HIS B CG  1 
ATOM   7    N ND1 . HIS A 1 2   ? -14.018 -11.838 -13.930 1.00 58.88 ? 8   HIS B ND1 1 
ATOM   8    C CD2 . HIS A 1 2   ? -15.519 -11.765 -12.340 1.00 58.74 ? 8   HIS B CD2 1 
ATOM   9    C CE1 . HIS A 1 2   ? -14.755 -10.766 -14.144 1.00 59.56 ? 8   HIS B CE1 1 
ATOM   10   N NE2 . HIS A 1 2   ? -15.691 -10.701 -13.192 1.00 56.49 ? 8   HIS B NE2 1 
ATOM   11   N N   . HIS A 1 3   ? -10.811 -13.131 -12.817 1.00 68.92 ? 9   HIS B N   1 
ATOM   12   C CA  . HIS A 1 3   ? -9.767  -12.432 -13.615 1.00 73.45 ? 9   HIS B CA  1 
ATOM   13   C C   . HIS A 1 3   ? -9.998  -12.722 -15.109 1.00 65.90 ? 9   HIS B C   1 
ATOM   14   O O   . HIS A 1 3   ? -9.039  -13.176 -15.764 1.00 61.54 ? 9   HIS B O   1 
ATOM   15   C CB  . HIS A 1 3   ? -8.371  -12.824 -13.091 1.00 80.12 ? 9   HIS B CB  1 
ATOM   16   C CG  . HIS A 1 3   ? -8.192  -12.581 -11.622 1.00 88.36 ? 9   HIS B CG  1 
ATOM   17   N ND1 . HIS A 1 3   ? -8.306  -11.318 -11.054 1.00 90.29 ? 9   HIS B ND1 1 
ATOM   18   C CD2 . HIS A 1 3   ? -7.917  -13.424 -10.601 1.00 90.33 ? 9   HIS B CD2 1 
ATOM   19   C CE1 . HIS A 1 3   ? -8.110  -11.400 -9.752  1.00 88.72 ? 9   HIS B CE1 1 
ATOM   20   N NE2 . HIS A 1 3   ? -7.868  -12.680 -9.449  1.00 91.26 ? 9   HIS B NE2 1 
ATOM   21   N N   . HIS A 1 4   ? -11.231 -12.473 -15.601 1.00 53.84 ? 10  HIS B N   1 
ATOM   22   C CA  . HIS A 1 4   ? -11.708 -12.664 -17.007 1.00 47.71 ? 10  HIS B CA  1 
ATOM   23   C C   . HIS A 1 4   ? -11.689 -11.343 -17.788 1.00 45.37 ? 10  HIS B C   1 
ATOM   24   O O   . HIS A 1 4   ? -11.833 -11.394 -19.034 1.00 38.91 ? 10  HIS B O   1 
ATOM   25   C CB  . HIS A 1 4   ? -13.142 -13.222 -17.039 1.00 43.66 ? 10  HIS B CB  1 
ATOM   26   C CG  . HIS A 1 4   ? -13.279 -14.587 -16.459 1.00 43.93 ? 10  HIS B CG  1 
ATOM   27   N ND1 . HIS A 1 4   ? -12.367 -15.608 -16.729 1.00 42.59 ? 10  HIS B ND1 1 
ATOM   28   C CD2 . HIS A 1 4   ? -14.218 -15.114 -15.649 1.00 39.72 ? 10  HIS B CD2 1 
ATOM   29   C CE1 . HIS A 1 4   ? -12.742 -16.700 -16.093 1.00 48.31 ? 10  HIS B CE1 1 
ATOM   30   N NE2 . HIS A 1 4   ? -13.881 -16.424 -15.430 1.00 43.73 ? 10  HIS B NE2 1 
ATOM   31   N N   . HIS A 1 5   ? -11.543 -10.212 -17.086 1.00 45.08 ? 11  HIS B N   1 
ATOM   32   C CA  . HIS A 1 5   ? -11.581 -8.823  -17.633 1.00 48.70 ? 11  HIS B CA  1 
ATOM   33   C C   . HIS A 1 5   ? -10.690 -8.685  -18.880 1.00 47.38 ? 11  HIS B C   1 
ATOM   34   O O   . HIS A 1 5   ? -11.112 -7.978  -19.827 1.00 49.95 ? 11  HIS B O   1 
ATOM   35   C CB  . HIS A 1 5   ? -11.178 -7.789  -16.562 1.00 55.99 ? 11  HIS B CB  1 
ATOM   36   C CG  . HIS A 1 5   ? -11.992 -7.852  -15.313 1.00 66.00 ? 11  HIS B CG  1 
ATOM   37   N ND1 . HIS A 1 5   ? -11.464 -8.301  -14.109 1.00 76.72 ? 11  HIS B ND1 1 
ATOM   38   C CD2 . HIS A 1 5   ? -13.285 -7.539  -15.070 1.00 71.88 ? 11  HIS B CD2 1 
ATOM   39   C CE1 . HIS A 1 5   ? -12.403 -8.263  -13.179 1.00 80.05 ? 11  HIS B CE1 1 
ATOM   40   N NE2 . HIS A 1 5   ? -13.533 -7.802  -13.745 1.00 76.16 ? 11  HIS B NE2 1 
ATOM   41   N N   . HIS A 1 6   ? -9.517  -9.337  -18.894 1.00 40.73 ? 12  HIS B N   1 
ATOM   42   C CA  . HIS A 1 6   ? -8.513  -9.282  -19.996 1.00 41.35 ? 12  HIS B CA  1 
ATOM   43   C C   . HIS A 1 6   ? -9.043  -9.892  -21.305 1.00 39.48 ? 12  HIS B C   1 
ATOM   44   O O   . HIS A 1 6   ? -8.405  -9.663  -22.350 1.00 39.88 ? 12  HIS B O   1 
ATOM   45   C CB  . HIS A 1 6   ? -7.186  -9.926  -19.557 1.00 47.58 ? 12  HIS B CB  1 
ATOM   46   C CG  . HIS A 1 6   ? -7.259  -11.359 -19.140 1.00 49.59 ? 12  HIS B CG  1 
ATOM   47   N ND1 . HIS A 1 6   ? -6.658  -12.374 -19.869 1.00 55.08 ? 12  HIS B ND1 1 
ATOM   48   C CD2 . HIS A 1 6   ? -7.791  -11.949 -18.047 1.00 55.48 ? 12  HIS B CD2 1 
ATOM   49   C CE1 . HIS A 1 6   ? -6.840  -13.528 -19.261 1.00 56.10 ? 12  HIS B CE1 1 
ATOM   50   N NE2 . HIS A 1 6   ? -7.541  -13.298 -18.143 1.00 61.85 ? 12  HIS B NE2 1 
ATOM   51   N N   . HIS A 1 7   ? -10.142 -10.658 -21.282 1.00 30.50 ? 13  HIS B N   1 
ATOM   52   C CA  . HIS A 1 7   ? -10.792 -11.193 -22.517 1.00 27.68 ? 13  HIS B CA  1 
ATOM   53   C C   . HIS A 1 7   ? -11.912 -10.267 -22.970 1.00 26.27 ? 13  HIS B C   1 
ATOM   54   O O   . HIS A 1 7   ? -12.790 -10.732 -23.724 1.00 20.51 ? 13  HIS B O   1 
ATOM   55   C CB  . HIS A 1 7   ? -11.348 -12.583 -22.265 1.00 26.14 ? 13  HIS B CB  1 
ATOM   56   C CG  . HIS A 1 7   ? -10.284 -13.550 -21.869 1.00 27.36 ? 13  HIS B CG  1 
ATOM   57   N ND1 . HIS A 1 7   ? -9.246  -13.878 -22.734 1.00 28.55 ? 13  HIS B ND1 1 
ATOM   58   C CD2 . HIS A 1 7   ? -10.080 -14.206 -20.704 1.00 28.95 ? 13  HIS B CD2 1 
ATOM   59   C CE1 . HIS A 1 7   ? -8.457  -14.744 -22.126 1.00 28.13 ? 13  HIS B CE1 1 
ATOM   60   N NE2 . HIS A 1 7   ? -8.923  -14.953 -20.877 1.00 30.97 ? 13  HIS B NE2 1 
ATOM   61   N N   . MET A 1 8   ? -11.899 -9.021  -22.516 1.00 25.98 ? 14  MET B N   1 
ATOM   62   C CA  . MET A 1 8   ? -12.973 -8.038  -22.818 1.00 29.08 ? 14  MET B CA  1 
ATOM   63   C C   . MET A 1 8   ? -13.125 -7.877  -24.341 1.00 28.45 ? 14  MET B C   1 
ATOM   64   O O   . MET A 1 8   ? -12.113 -7.750  -25.054 1.00 30.62 ? 14  MET B O   1 
ATOM   65   C CB  . MET A 1 8   ? -12.654 -6.690  -22.159 1.00 34.66 ? 14  MET B CB  1 
ATOM   66   C CG  . MET A 1 8   ? -13.655 -5.557  -22.477 1.00 42.40 ? 14  MET B CG  1 
ATOM   67   S SD  . MET A 1 8   ? -15.285 -5.673  -21.621 1.00 53.57 ? 14  MET B SD  1 
ATOM   68   C CE  . MET A 1 8   ? -14.833 -5.142  -19.968 1.00 42.11 ? 14  MET B CE  1 
ATOM   69   N N   . VAL A 1 9   ? -14.362 -7.856  -24.841 1.00 22.33 ? 15  VAL B N   1 
ATOM   70   C CA  . VAL A 1 9   ? -14.677 -7.651  -26.278 1.00 22.37 ? 15  VAL B CA  1 
ATOM   71   C C   . VAL A 1 9   ? -15.673 -6.474  -26.391 1.00 24.43 ? 15  VAL B C   1 
ATOM   72   O O   . VAL A 1 9   ? -16.506 -6.266  -25.462 1.00 23.70 ? 15  VAL B O   1 
ATOM   73   C CB  . VAL A 1 9   ? -15.198 -8.927  -26.961 1.00 24.54 ? 15  VAL B CB  1 
ATOM   74   C CG1 . VAL A 1 9   ? -14.101 -9.972  -27.087 1.00 26.61 ? 15  VAL B CG1 1 
ATOM   75   C CG2 . VAL A 1 9   ? -16.410 -9.526  -26.278 1.00 23.79 ? 15  VAL B CG2 1 
ATOM   76   N N   . HIS A 1 10  ? -15.613 -5.739  -27.497 1.00 22.49 ? 16  HIS B N   1 
ATOM   77   C CA  . HIS A 1 10  ? -16.458 -4.542  -27.751 1.00 22.34 ? 16  HIS B CA  1 
ATOM   78   C C   . HIS A 1 10  ? -17.709 -5.038  -28.488 1.00 21.78 ? 16  HIS B C   1 
ATOM   79   O O   . HIS A 1 10  ? -17.594 -5.450  -29.653 1.00 26.29 ? 16  HIS B O   1 
ATOM   80   C CB  . HIS A 1 10  ? -15.717 -3.486  -28.562 1.00 23.10 ? 16  HIS B CB  1 
ATOM   81   C CG  . HIS A 1 10  ? -16.487 -2.222  -28.787 1.00 27.77 ? 16  HIS B CG  1 
ATOM   82   N ND1 . HIS A 1 10  ? -16.637 -1.267  -27.794 1.00 30.81 ? 16  HIS B ND1 1 
ATOM   83   C CD2 . HIS A 1 10  ? -17.151 -1.759  -29.873 1.00 30.61 ? 16  HIS B CD2 1 
ATOM   84   C CE1 . HIS A 1 10  ? -17.363 -0.253  -28.259 1.00 29.06 ? 16  HIS B CE1 1 
ATOM   85   N NE2 . HIS A 1 10  ? -17.712 -0.550  -29.540 1.00 33.17 ? 16  HIS B NE2 1 
ATOM   86   N N   . ILE A 1 11  ? -18.823 -5.163  -27.783 1.00 18.84 ? 17  ILE B N   1 
ATOM   87   C CA  . ILE A 1 11  ? -20.074 -5.709  -28.371 1.00 19.04 ? 17  ILE B CA  1 
ATOM   88   C C   . ILE A 1 11  ? -20.891 -4.515  -28.908 1.00 19.83 ? 17  ILE B C   1 
ATOM   89   O O   . ILE A 1 11  ? -20.951 -3.487  -28.271 1.00 19.21 ? 17  ILE B O   1 
ATOM   90   C CB  . ILE A 1 11  ? -20.877 -6.496  -27.318 1.00 18.48 ? 17  ILE B CB  1 
ATOM   91   C CG1 . ILE A 1 11  ? -20.086 -7.700  -26.796 1.00 19.62 ? 17  ILE B CG1 1 
ATOM   92   C CG2 . ILE A 1 11  ? -22.216 -6.914  -27.926 1.00 17.61 ? 17  ILE B CG2 1 
ATOM   93   C CD1 . ILE A 1 11  ? -19.490 -8.585  -27.860 1.00 19.17 ? 17  ILE B CD1 1 
ATOM   94   N N   . THR A 1 12  ? -21.466 -4.682  -30.069 1.00 17.60 ? 18  THR B N   1 
ATOM   95   C CA  . THR A 1 12  ? -22.463 -3.718  -30.621 1.00 18.50 ? 18  THR B CA  1 
ATOM   96   C C   . THR A 1 12  ? -23.743 -4.482  -30.972 1.00 17.74 ? 18  THR B C   1 
ATOM   97   O O   . THR A 1 12  ? -23.701 -5.704  -31.211 1.00 18.53 ? 18  THR B O   1 
ATOM   98   C CB  . THR A 1 12  ? -21.906 -2.966  -31.838 1.00 19.81 ? 18  THR B CB  1 
ATOM   99   O OG1 . THR A 1 12  ? -21.535 -3.876  -32.850 1.00 20.32 ? 18  THR B OG1 1 
ATOM   100  C CG2 . THR A 1 12  ? -20.741 -2.057  -31.506 1.00 23.44 ? 18  THR B CG2 1 
ATOM   101  N N   . LEU A 1 13  ? -24.883 -3.796  -30.941 1.00 16.16 ? 19  LEU B N   1 
ATOM   102  C CA  . LEU A 1 13  ? -26.185 -4.430  -31.235 1.00 16.37 ? 19  LEU B CA  1 
ATOM   103  C C   . LEU A 1 13  ? -26.468 -4.425  -32.733 1.00 16.56 ? 19  LEU B C   1 
ATOM   104  O O   . LEU A 1 13  ? -26.194 -3.390  -33.383 1.00 18.84 ? 19  LEU B O   1 
ATOM   105  C CB  . LEU A 1 13  ? -27.263 -3.714  -30.433 1.00 16.58 ? 19  LEU B CB  1 
ATOM   106  C CG  . LEU A 1 13  ? -27.022 -3.756  -28.927 1.00 17.57 ? 19  LEU B CG  1 
ATOM   107  C CD1 . LEU A 1 13  ? -27.962 -2.830  -28.182 1.00 18.77 ? 19  LEU B CD1 1 
ATOM   108  C CD2 . LEU A 1 13  ? -27.126 -5.187  -28.395 1.00 19.13 ? 19  LEU B CD2 1 
ATOM   109  N N   . ASP A 1 14  ? -27.095 -5.463  -33.213 1.00 15.60 ? 20  ASP B N   1 
ATOM   110  C CA  . ASP A 1 14  ? -27.465 -5.622  -34.639 1.00 16.15 ? 20  ASP B CA  1 
ATOM   111  C C   . ASP A 1 14  ? -28.962 -5.232  -34.791 1.00 18.37 ? 20  ASP B C   1 
ATOM   112  O O   . ASP A 1 14  ? -29.842 -6.037  -34.478 1.00 15.48 ? 20  ASP B O   1 
ATOM   113  C CB  . ASP A 1 14  ? -27.188 -7.048  -35.127 1.00 16.26 ? 20  ASP B CB  1 
ATOM   114  C CG  . ASP A 1 14  ? -27.491 -7.299  -36.587 1.00 22.41 ? 20  ASP B CG  1 
ATOM   115  O OD1 . ASP A 1 14  ? -28.142 -6.420  -37.165 1.00 20.48 ? 20  ASP B OD1 1 
ATOM   116  O OD2 . ASP A 1 14  ? -27.164 -8.395  -37.093 1.00 21.31 ? 20  ASP B OD2 1 
ATOM   117  N N   A ARG A 1 15  ? -29.201 -4.003  -35.279 0.25 18.62 ? 21  ARG B N   1 
ATOM   118  N N   B ARG A 1 15  ? -29.227 -4.022  -35.295 0.25 19.50 ? 21  ARG B N   1 
ATOM   119  C CA  A ARG A 1 15  ? -30.534 -3.409  -35.599 0.25 20.05 ? 21  ARG B CA  1 
ATOM   120  C CA  B ARG A 1 15  ? -30.600 -3.466  -35.458 0.25 21.38 ? 21  ARG B CA  1 
ATOM   121  C C   A ARG A 1 15  ? -31.438 -4.402  -36.326 0.25 19.08 ? 21  ARG B C   1 
ATOM   122  C C   B ARG A 1 15  ? -31.462 -4.372  -36.352 0.25 19.88 ? 21  ARG B C   1 
ATOM   123  O O   A ARG A 1 15  ? -32.651 -4.438  -36.039 0.25 18.59 ? 21  ARG B O   1 
ATOM   124  O O   B ARG A 1 15  ? -32.694 -4.354  -36.173 0.25 18.93 ? 21  ARG B O   1 
ATOM   125  C CB  A ARG A 1 15  ? -30.384 -2.210  -36.547 0.25 20.79 ? 21  ARG B CB  1 
ATOM   126  C CB  B ARG A 1 15  ? -30.537 -2.042  -36.032 0.25 24.05 ? 21  ARG B CB  1 
ATOM   127  C CG  A ARG A 1 15  ? -29.503 -1.101  -36.002 0.25 22.08 ? 21  ARG B CG  1 
ATOM   128  C CG  B ARG A 1 15  ? -29.780 -1.044  -35.168 0.25 26.09 ? 21  ARG B CG  1 
ATOM   129  C CD  A ARG A 1 15  ? -29.665 0.238   -36.709 0.25 22.31 ? 21  ARG B CD  1 
ATOM   130  C CD  B ARG A 1 15  ? -28.376 -0.740  -35.681 0.25 29.89 ? 21  ARG B CD  1 
ATOM   131  N NE  A ARG A 1 15  ? -28.994 1.252   -35.908 0.25 22.42 ? 21  ARG B NE  1 
ATOM   132  N NE  B ARG A 1 15  ? -28.344 0.260   -36.751 0.25 30.87 ? 21  ARG B NE  1 
ATOM   133  C CZ  A ARG A 1 15  ? -29.575 1.839   -34.881 0.25 20.70 ? 21  ARG B CZ  1 
ATOM   134  C CZ  B ARG A 1 15  ? -27.830 0.081   -37.969 0.25 32.98 ? 21  ARG B CZ  1 
ATOM   135  N NH1 A ARG A 1 15  ? -30.827 1.528   -34.605 0.25 21.99 ? 21  ARG B NH1 1 
ATOM   136  N NH1 B ARG A 1 15  ? -27.251 -1.058  -38.307 0.25 34.82 ? 21  ARG B NH1 1 
ATOM   137  N NH2 A ARG A 1 15  ? -28.927 2.723   -34.151 0.25 21.73 ? 21  ARG B NH2 1 
ATOM   138  N NH2 B ARG A 1 15  ? -27.873 1.067   -38.844 0.25 35.15 ? 21  ARG B NH2 1 
ATOM   139  N N   . ASN A 1 16  ? -30.871 -5.131  -37.284 1.00 19.35 ? 22  ASN B N   1 
ATOM   140  C CA  . ASN A 1 16  ? -31.648 -5.970  -38.211 1.00 20.39 ? 22  ASN B CA  1 
ATOM   141  C C   . ASN A 1 16  ? -32.299 -7.135  -37.478 1.00 17.99 ? 22  ASN B C   1 
ATOM   142  O O   . ASN A 1 16  ? -33.308 -7.654  -37.982 1.00 17.48 ? 22  ASN B O   1 
ATOM   143  C CB  . ASN A 1 16  ? -30.791 -6.428  -39.386 1.00 24.55 ? 22  ASN B CB  1 
ATOM   144  C CG  . ASN A 1 16  ? -30.508 -5.284  -40.337 1.00 30.98 ? 22  ASN B CG  1 
ATOM   145  O OD1 . ASN A 1 16  ? -31.238 -4.292  -40.378 1.00 38.51 ? 22  ASN B OD1 1 
ATOM   146  N ND2 . ASN A 1 16  ? -29.465 -5.428  -41.127 1.00 40.86 ? 22  ASN B ND2 1 
ATOM   147  N N   . THR A 1 17  ? -31.759 -7.532  -36.304 1.00 15.99 ? 23  THR B N   1 
ATOM   148  C CA  . THR A 1 17  ? -32.293 -8.658  -35.523 1.00 16.58 ? 23  THR B CA  1 
ATOM   149  C C   . THR A 1 17  ? -33.311 -8.173  -34.501 1.00 15.49 ? 23  THR B C   1 
ATOM   150  O O   . THR A 1 17  ? -33.973 -9.027  -33.913 1.00 15.39 ? 23  THR B O   1 
ATOM   151  C CB  . THR A 1 17  ? -31.193 -9.459  -34.797 1.00 15.84 ? 23  THR B CB  1 
ATOM   152  O OG1 . THR A 1 17  ? -30.655 -8.631  -33.761 1.00 15.29 ? 23  THR B OG1 1 
ATOM   153  C CG2 . THR A 1 17  ? -30.152 -10.013 -35.756 1.00 17.07 ? 23  THR B CG2 1 
ATOM   154  N N   . ALA A 1 18  ? -33.420 -6.870  -34.292 1.00 14.61 ? 24  ALA B N   1 
ATOM   155  C CA  . ALA A 1 18  ? -34.236 -6.324  -33.184 1.00 14.15 ? 24  ALA B CA  1 
ATOM   156  C C   . ALA A 1 18  ? -35.743 -6.491  -33.440 1.00 15.38 ? 24  ALA B C   1 
ATOM   157  O O   . ALA A 1 18  ? -36.217 -6.275  -34.558 1.00 15.74 ? 24  ALA B O   1 
ATOM   158  C CB  . ALA A 1 18  ? -33.928 -4.893  -32.980 1.00 15.93 ? 24  ALA B CB  1 
ATOM   159  N N   . ASN A 1 19  ? -36.478 -6.830  -32.407 1.00 14.99 ? 25  ASN B N   1 
ATOM   160  C CA  . ASN A 1 19  ? -37.939 -6.643  -32.394 1.00 14.69 ? 25  ASN B CA  1 
ATOM   161  C C   . ASN A 1 19  ? -38.228 -5.194  -32.852 1.00 15.04 ? 25  ASN B C   1 
ATOM   162  O O   . ASN A 1 19  ? -37.511 -4.241  -32.484 1.00 14.87 ? 25  ASN B O   1 
ATOM   163  C CB  . ASN A 1 19  ? -38.464 -6.980  -31.003 1.00 15.21 ? 25  ASN B CB  1 
ATOM   164  C CG  . ASN A 1 19  ? -39.941 -6.718  -30.908 1.00 18.11 ? 25  ASN B CG  1 
ATOM   165  O OD1 . ASN A 1 19  ? -40.341 -5.583  -30.683 1.00 18.51 ? 25  ASN B OD1 1 
ATOM   166  N ND2 . ASN A 1 19  ? -40.739 -7.722  -31.128 1.00 20.05 ? 25  ASN B ND2 1 
ATOM   167  N N   . SER A 1 20  ? -39.299 -5.040  -33.590 1.00 15.55 ? 26  SER B N   1 
ATOM   168  C CA  . SER A 1 20  ? -39.631 -3.766  -34.271 1.00 16.55 ? 26  SER B CA  1 
ATOM   169  C C   . SER A 1 20  ? -40.027 -2.674  -33.296 1.00 17.72 ? 26  SER B C   1 
ATOM   170  O O   . SER A 1 20  ? -40.124 -1.514  -33.770 1.00 17.55 ? 26  SER B O   1 
ATOM   171  C CB  . SER A 1 20  ? -40.693 -3.992  -35.315 1.00 17.80 ? 26  SER B CB  1 
ATOM   172  O OG  . SER A 1 20  ? -41.861 -4.445  -34.663 1.00 21.28 ? 26  SER B OG  1 
ATOM   173  N N   . TRP A 1 21  ? -40.198 -2.939  -32.004 1.00 15.66 ? 27  TRP B N   1 
ATOM   174  C CA  . TRP A 1 21  ? -40.516 -1.908  -30.991 1.00 17.27 ? 27  TRP B CA  1 
ATOM   175  C C   . TRP A 1 21  ? -39.259 -1.428  -30.278 1.00 17.10 ? 27  TRP B C   1 
ATOM   176  O O   . TRP A 1 21  ? -39.383 -0.509  -29.472 1.00 16.41 ? 27  TRP B O   1 
ATOM   177  C CB  . TRP A 1 21  ? -41.528 -2.436  -30.009 1.00 19.03 ? 27  TRP B CB  1 
ATOM   178  C CG  . TRP A 1 21  ? -42.895 -2.535  -30.596 1.00 18.54 ? 27  TRP B CG  1 
ATOM   179  C CD1 . TRP A 1 21  ? -43.265 -3.033  -31.824 1.00 19.21 ? 27  TRP B CD1 1 
ATOM   180  C CD2 . TRP A 1 21  ? -44.094 -2.067  -29.962 1.00 21.48 ? 27  TRP B CD2 1 
ATOM   181  N NE1 . TRP A 1 21  ? -44.636 -2.950  -31.973 1.00 24.35 ? 27  TRP B NE1 1 
ATOM   182  C CE2 . TRP A 1 21  ? -45.159 -2.380  -30.840 1.00 20.65 ? 27  TRP B CE2 1 
ATOM   183  C CE3 . TRP A 1 21  ? -44.347 -1.461  -28.736 1.00 23.72 ? 27  TRP B CE3 1 
ATOM   184  C CZ2 . TRP A 1 21  ? -46.482 -2.018  -30.540 1.00 25.09 ? 27  TRP B CZ2 1 
ATOM   185  C CZ3 . TRP A 1 21  ? -45.664 -1.131  -28.432 1.00 23.95 ? 27  TRP B CZ3 1 
ATOM   186  C CH2 . TRP A 1 21  ? -46.702 -1.475  -29.291 1.00 26.69 ? 27  TRP B CH2 1 
ATOM   187  N N   . LEU A 1 22  ? -38.073 -1.999  -30.585 1.00 15.52 ? 28  LEU B N   1 
ATOM   188  C CA  . LEU A 1 22  ? -36.840 -1.573  -29.886 1.00 15.62 ? 28  LEU B CA  1 
ATOM   189  C C   . LEU A 1 22  ? -36.236 -0.318  -30.527 1.00 15.60 ? 28  LEU B C   1 
ATOM   190  O O   . LEU A 1 22  ? -36.242 -0.170  -31.771 1.00 16.03 ? 28  LEU B O   1 
ATOM   191  C CB  . LEU A 1 22  ? -35.815 -2.706  -29.872 1.00 14.36 ? 28  LEU B CB  1 
ATOM   192  C CG  . LEU A 1 22  ? -36.273 -3.970  -29.150 1.00 15.58 ? 28  LEU B CG  1 
ATOM   193  C CD1 . LEU A 1 22  ? -35.198 -5.052  -29.141 1.00 15.14 ? 28  LEU B CD1 1 
ATOM   194  C CD2 . LEU A 1 22  ? -36.625 -3.672  -27.719 1.00 16.43 ? 28  LEU B CD2 1 
ATOM   195  N N   . ILE A 1 23  ? -35.626 0.472   -29.667 1.00 15.71 ? 29  ILE B N   1 
ATOM   196  C CA  . ILE A 1 23  ? -34.825 1.649   -30.082 1.00 15.86 ? 29  ILE B CA  1 
ATOM   197  C C   . ILE A 1 23  ? -33.388 1.407   -29.645 1.00 15.92 ? 29  ILE B C   1 
ATOM   198  O O   . ILE A 1 23  ? -33.135 1.348   -28.438 1.00 16.27 ? 29  ILE B O   1 
ATOM   199  C CB  . ILE A 1 23  ? -35.362 2.939   -29.475 1.00 16.45 ? 29  ILE B CB  1 
ATOM   200  C CG1 . ILE A 1 23  ? -36.838 3.207   -29.837 1.00 17.37 ? 29  ILE B CG1 1 
ATOM   201  C CG2 . ILE A 1 23  ? -34.454 4.114   -29.920 1.00 17.73 ? 29  ILE B CG2 1 
ATOM   202  C CD1 . ILE A 1 23  ? -37.451 4.306   -29.098 1.00 19.36 ? 29  ILE B CD1 1 
ATOM   203  N N   . ILE A 1 24  ? -32.540 1.245   -30.641 1.00 18.22 ? 30  ILE B N   1 
ATOM   204  C CA  . ILE A 1 24  ? -31.068 1.080   -30.454 1.00 18.62 ? 30  ILE B CA  1 
ATOM   205  C C   . ILE A 1 24  ? -30.398 2.435   -30.650 1.00 19.81 ? 30  ILE B C   1 
ATOM   206  O O   . ILE A 1 24  ? -30.651 3.123   -31.681 1.00 20.29 ? 30  ILE B O   1 
ATOM   207  C CB  . ILE A 1 24  ? -30.530 -0.006  -31.380 1.00 19.42 ? 30  ILE B CB  1 
ATOM   208  C CG1 . ILE A 1 24  ? -31.031 -1.372  -30.920 1.00 22.82 ? 30  ILE B CG1 1 
ATOM   209  C CG2 . ILE A 1 24  ? -28.998 0.000   -31.415 1.00 19.65 ? 30  ILE B CG2 1 
ATOM   210  C CD1 . ILE A 1 24  ? -30.879 -2.375  -31.937 1.00 26.54 ? 30  ILE B CD1 1 
ATOM   211  N N   . SER A 1 25  ? -29.524 2.802   -29.734 1.00 18.27 ? 31  SER B N   1 
ATOM   212  C CA  . SER A 1 25  ? -28.809 4.090   -29.755 1.00 18.24 ? 31  SER B CA  1 
ATOM   213  C C   . SER A 1 25  ? -27.891 4.166   -30.979 1.00 17.48 ? 31  SER B C   1 
ATOM   214  O O   . SER A 1 25  ? -27.526 3.140   -31.567 1.00 18.35 ? 31  SER B O   1 
ATOM   215  C CB  . SER A 1 25  ? -28.060 4.247   -28.474 1.00 19.11 ? 31  SER B CB  1 
ATOM   216  O OG  . SER A 1 25  ? -27.102 3.212   -28.377 1.00 19.06 ? 31  SER B OG  1 
ATOM   217  N N   . LYS A 1 26  ? -27.518 5.396   -31.343 1.00 21.35 ? 32  LYS B N   1 
ATOM   218  C CA  . LYS A 1 26  ? -26.635 5.685   -32.505 1.00 22.17 ? 32  LYS B CA  1 
ATOM   219  C C   . LYS A 1 26  ? -25.330 4.879   -32.405 1.00 19.45 ? 32  LYS B C   1 
ATOM   220  O O   . LYS A 1 26  ? -24.882 4.391   -33.438 1.00 22.42 ? 32  LYS B O   1 
ATOM   221  C CB  . LYS A 1 26  ? -26.380 7.196   -32.513 1.00 26.07 ? 32  LYS B CB  1 
ATOM   222  C CG  . LYS A 1 26  ? -25.365 7.659   -33.521 1.00 30.67 ? 32  LYS B CG  1 
ATOM   223  C CD  . LYS A 1 26  ? -25.507 9.131   -33.759 1.00 29.83 ? 32  LYS B CD  1 
ATOM   224  C CE  . LYS A 1 26  ? -25.367 9.941   -32.495 1.00 32.11 ? 32  LYS B CE  1 
ATOM   225  N NZ  . LYS A 1 26  ? -25.359 11.376  -32.857 1.00 34.38 ? 32  LYS B NZ  1 
ATOM   226  N N   . ASP A 1 27  ? -24.774 4.769   -31.201 1.00 21.38 ? 33  ASP B N   1 
ATOM   227  C CA  . ASP A 1 27  ? -23.481 4.060   -30.977 1.00 20.81 ? 33  ASP B CA  1 
ATOM   228  C C   . ASP A 1 27  ? -23.690 2.532   -30.967 1.00 19.85 ? 33  ASP B C   1 
ATOM   229  O O   . ASP A 1 27  ? -22.674 1.760   -30.846 1.00 19.04 ? 33  ASP B O   1 
ATOM   230  C CB  . ASP A 1 27  ? -22.764 4.586   -29.737 1.00 21.56 ? 33  ASP B CB  1 
ATOM   231  C CG  . ASP A 1 27  ? -23.411 4.309   -28.409 1.00 22.01 ? 33  ASP B CG  1 
ATOM   232  O OD1 . ASP A 1 27  ? -24.503 3.650   -28.378 1.00 22.41 ? 33  ASP B OD1 1 
ATOM   233  O OD2 . ASP A 1 27  ? -22.832 4.736   -27.435 1.00 26.08 ? 33  ASP B OD2 1 
ATOM   234  N N   . ARG A 1 28  ? -24.934 2.060   -31.058 1.00 18.18 ? 34  ARG B N   1 
ATOM   235  C CA  . ARG A 1 28  ? -25.259 0.613   -31.058 1.00 18.19 ? 34  ARG B CA  1 
ATOM   236  C C   . ARG A 1 28  ? -24.806 -0.026  -29.731 1.00 14.90 ? 34  ARG B C   1 
ATOM   237  O O   . ARG A 1 28  ? -24.643 -1.269  -29.695 1.00 16.53 ? 34  ARG B O   1 
ATOM   238  C CB  . ARG A 1 28  ? -24.698 -0.082  -32.307 1.00 20.37 ? 34  ARG B CB  1 
ATOM   239  C CG  . ARG A 1 28  ? -25.232 0.533   -33.600 1.00 25.42 ? 34  ARG B CG  1 
ATOM   240  C CD  . ARG A 1 28  ? -24.796 -0.111  -34.893 1.00 33.31 ? 34  ARG B CD  1 
ATOM   241  N NE  . ARG A 1 28  ? -23.407 -0.529  -34.980 1.00 46.15 ? 34  ARG B NE  1 
ATOM   242  C CZ  . ARG A 1 28  ? -22.934 -1.793  -34.871 1.00 64.01 ? 34  ARG B CZ  1 
ATOM   243  N NH1 . ARG A 1 28  ? -23.732 -2.830  -34.619 1.00 56.97 ? 34  ARG B NH1 1 
ATOM   244  N NH2 . ARG A 1 28  ? -21.630 -2.011  -35.009 1.00 69.17 ? 34  ARG B NH2 1 
ATOM   245  N N   . ARG A 1 29  ? -24.769 0.716   -28.641 1.00 14.66 ? 35  ARG B N   1 
ATOM   246  C CA  . ARG A 1 29  ? -24.403 0.171   -27.320 1.00 16.96 ? 35  ARG B CA  1 
ATOM   247  C C   . ARG A 1 29  ? -25.552 0.164   -26.321 1.00 16.52 ? 35  ARG B C   1 
ATOM   248  O O   . ARG A 1 29  ? -25.321 -0.350  -25.199 1.00 17.94 ? 35  ARG B O   1 
ATOM   249  C CB  . ARG A 1 29  ? -23.195 0.902   -26.710 1.00 17.38 ? 35  ARG B CB  1 
ATOM   250  C CG  . ARG A 1 29  ? -21.981 0.861   -27.613 1.00 19.39 ? 35  ARG B CG  1 
ATOM   251  C CD  . ARG A 1 29  ? -21.095 -0.331  -27.404 1.00 21.64 ? 35  ARG B CD  1 
ATOM   252  N NE  . ARG A 1 29  ? -20.366 -0.123  -26.139 1.00 22.22 ? 35  ARG B NE  1 
ATOM   253  C CZ  . ARG A 1 29  ? -19.638 -1.068  -25.540 1.00 22.35 ? 35  ARG B CZ  1 
ATOM   254  N NH1 . ARG A 1 29  ? -19.547 -2.258  -26.086 1.00 23.10 ? 35  ARG B NH1 1 
ATOM   255  N NH2 . ARG A 1 29  ? -19.031 -0.793  -24.399 1.00 22.87 ? 35  ARG B NH2 1 
ATOM   256  N N   . GLN A 1 30  ? -26.713 0.747   -26.619 1.00 16.14 ? 36  GLN B N   1 
ATOM   257  C CA  . GLN A 1 30  ? -27.880 0.812   -25.711 1.00 15.71 ? 36  GLN B CA  1 
ATOM   258  C C   . GLN A 1 30  ? -29.149 0.438   -26.472 1.00 15.23 ? 36  GLN B C   1 
ATOM   259  O O   . GLN A 1 30  ? -29.245 0.639   -27.715 1.00 15.62 ? 36  GLN B O   1 
ATOM   260  C CB  . GLN A 1 30  ? -28.132 2.175   -25.057 1.00 19.14 ? 36  GLN B CB  1 
ATOM   261  C CG  . GLN A 1 30  ? -26.891 2.818   -24.505 1.00 21.96 ? 36  GLN B CG  1 
ATOM   262  C CD  . GLN A 1 30  ? -27.256 4.051   -23.712 1.00 24.99 ? 36  GLN B CD  1 
ATOM   263  O OE1 . GLN A 1 30  ? -28.399 4.276   -23.305 1.00 27.51 ? 36  GLN B OE1 1 
ATOM   264  N NE2 . GLN A 1 30  ? -26.246 4.860   -23.499 1.00 28.75 ? 36  GLN B NE2 1 
ATOM   265  N N   . VAL A 1 31  ? -30.067 -0.203  -25.757 1.00 14.53 ? 37  VAL B N   1 
ATOM   266  C CA  . VAL A 1 31  ? -31.366 -0.617  -26.342 1.00 14.56 ? 37  VAL B CA  1 
ATOM   267  C C   . VAL A 1 31  ? -32.442 -0.414  -25.299 1.00 14.85 ? 37  VAL B C   1 
ATOM   268  O O   . VAL A 1 31  ? -32.250 -0.779  -24.139 1.00 14.70 ? 37  VAL B O   1 
ATOM   269  C CB  . VAL A 1 31  ? -31.314 -2.022  -26.943 1.00 14.08 ? 37  VAL B CB  1 
ATOM   270  C CG1 . VAL A 1 31  ? -30.870 -3.098  -25.939 1.00 13.82 ? 37  VAL B CG1 1 
ATOM   271  C CG2 . VAL A 1 31  ? -32.682 -2.399  -27.546 1.00 15.69 ? 37  VAL B CG2 1 
ATOM   272  N N   . ARG A 1 32  ? -33.595 0.071   -25.728 1.00 16.00 ? 38  ARG B N   1 
ATOM   273  C CA  . ARG A 1 32  ? -34.766 0.157   -24.837 1.00 15.56 ? 38  ARG B CA  1 
ATOM   274  C C   . ARG A 1 32  ? -36.033 -0.119  -25.648 1.00 16.34 ? 38  ARG B C   1 
ATOM   275  O O   . ARG A 1 32  ? -36.035 -0.025  -26.904 1.00 14.68 ? 38  ARG B O   1 
ATOM   276  C CB  . ARG A 1 32  ? -34.881 1.523   -24.147 1.00 17.56 ? 38  ARG B CB  1 
ATOM   277  C CG  . ARG A 1 32  ? -35.192 2.665   -25.113 1.00 19.61 ? 38  ARG B CG  1 
ATOM   278  C CD  . ARG A 1 32  ? -35.047 4.013   -24.383 1.00 23.41 ? 38  ARG B CD  1 
ATOM   279  N NE  . ARG A 1 32  ? -35.323 5.104   -25.308 1.00 28.63 ? 38  ARG B NE  1 
ATOM   280  C CZ  . ARG A 1 32  ? -36.504 5.616   -25.591 1.00 26.41 ? 38  ARG B CZ  1 
ATOM   281  N NH1 . ARG A 1 32  ? -37.609 5.111   -25.090 1.00 29.56 ? 38  ARG B NH1 1 
ATOM   282  N NH2 . ARG A 1 32  ? -36.568 6.631   -26.452 1.00 31.39 ? 38  ARG B NH2 1 
ATOM   283  N N   A MET A 1 33  ? -37.095 -0.435  -24.908 0.24 16.72 ? 39  MET B N   1 
ATOM   284  N N   B MET A 1 33  ? -37.112 -0.464  -24.953 0.26 17.92 ? 39  MET B N   1 
ATOM   285  C CA  A MET A 1 33  ? -38.467 -0.598  -25.448 0.24 18.66 ? 39  MET B CA  1 
ATOM   286  C CA  B MET A 1 33  ? -38.416 -0.736  -25.612 0.26 20.77 ? 39  MET B CA  1 
ATOM   287  C C   A MET A 1 33  ? -39.002 0.774   -25.869 0.24 18.33 ? 39  MET B C   1 
ATOM   288  C C   B MET A 1 33  ? -39.161 0.583   -25.835 0.26 19.82 ? 39  MET B C   1 
ATOM   289  O O   A MET A 1 33  ? -38.895 1.742   -25.086 0.24 17.92 ? 39  MET B O   1 
ATOM   290  O O   B MET A 1 33  ? -39.462 1.249   -24.832 0.26 20.45 ? 39  MET B O   1 
ATOM   291  C CB  A MET A 1 33  ? -39.382 -1.217  -24.386 0.24 19.95 ? 39  MET B CB  1 
ATOM   292  C CB  B MET A 1 33  ? -39.278 -1.668  -24.760 0.26 23.80 ? 39  MET B CB  1 
ATOM   293  C CG  A MET A 1 33  ? -40.742 -1.624  -24.917 0.24 23.06 ? 39  MET B CG  1 
ATOM   294  C CG  B MET A 1 33  ? -40.707 -1.727  -25.253 0.26 29.02 ? 39  MET B CG  1 
ATOM   295  S SD  A MET A 1 33  ? -40.582 -2.791  -26.282 0.24 24.06 ? 39  MET B SD  1 
ATOM   296  S SD  B MET A 1 33  ? -41.460 -3.343  -25.045 0.26 36.37 ? 39  MET B SD  1 
ATOM   297  C CE  A MET A 1 33  ? -42.230 -3.473  -26.307 0.24 24.71 ? 39  MET B CE  1 
ATOM   298  C CE  B MET A 1 33  ? -42.470 -3.292  -26.522 0.26 35.59 ? 39  MET B CE  1 
ATOM   299  N N   . GLY A 1 34  ? -39.488 0.874   -27.101 1.00 19.67 ? 40  GLY B N   1 
ATOM   300  C CA  . GLY A 1 34  ? -40.242 2.063   -27.526 1.00 20.42 ? 40  GLY B CA  1 
ATOM   301  C C   . GLY A 1 34  ? -41.693 1.928   -27.106 1.00 22.75 ? 40  GLY B C   1 
ATOM   302  O O   . GLY A 1 34  ? -42.110 0.843   -26.705 1.00 21.88 ? 40  GLY B O   1 
ATOM   303  N N   . ASP A 1 35  ? -42.449 3.024   -27.222 1.00 25.71 ? 41  ASP B N   1 
ATOM   304  C CA  . ASP A 1 35  ? -43.875 2.972   -26.772 1.00 30.70 ? 41  ASP B CA  1 
ATOM   305  C C   . ASP A 1 35  ? -44.742 2.520   -27.970 1.00 28.35 ? 41  ASP B C   1 
ATOM   306  O O   . ASP A 1 35  ? -45.965 2.230   -27.765 1.00 28.34 ? 41  ASP B O   1 
ATOM   307  C CB  . ASP A 1 35  ? -44.244 4.254   -25.998 1.00 38.13 ? 41  ASP B CB  1 
ATOM   308  C CG  . ASP A 1 35  ? -43.863 4.224   -24.505 1.00 50.55 ? 41  ASP B CG  1 
ATOM   309  O OD1 . ASP A 1 35  ? -43.613 3.112   -23.967 1.00 56.07 ? 41  ASP B OD1 1 
ATOM   310  O OD2 . ASP A 1 35  ? -43.818 5.308   -23.858 1.00 50.53 ? 41  ASP B OD2 1 
ATOM   311  N N   . THR A 1 36  ? -44.148 2.294   -29.142 1.00 23.84 ? 42  THR B N   1 
ATOM   312  C CA  . THR A 1 36  ? -44.885 1.875   -30.372 1.00 22.48 ? 42  THR B CA  1 
ATOM   313  C C   . THR A 1 36  ? -43.955 1.113   -31.314 1.00 20.21 ? 42  THR B C   1 
ATOM   314  O O   . THR A 1 36  ? -42.653 1.168   -31.118 1.00 19.36 ? 42  THR B O   1 
ATOM   315  C CB  . THR A 1 36  ? -45.457 3.149   -31.008 1.00 23.89 ? 42  THR B CB  1 
ATOM   316  O OG1 . THR A 1 36  ? -46.297 2.770   -32.084 1.00 27.65 ? 42  THR B OG1 1 
ATOM   317  C CG2 . THR A 1 36  ? -44.354 3.990   -31.588 1.00 23.19 ? 42  THR B CG2 1 
ATOM   318  N N   . HIS A 1 37  ? -44.464 0.617   -32.445 1.00 23.50 ? 43  HIS B N   1 
ATOM   319  C CA  . HIS A 1 37  ? -43.646 0.173   -33.616 1.00 22.19 ? 43  HIS B CA  1 
ATOM   320  C C   . HIS A 1 37  ? -42.682 1.278   -34.019 1.00 23.59 ? 43  HIS B C   1 
ATOM   321  O O   . HIS A 1 37  ? -43.128 2.437   -34.223 1.00 23.58 ? 43  HIS B O   1 
ATOM   322  C CB  . HIS A 1 37  ? -44.571 -0.311  -34.755 1.00 20.72 ? 43  HIS B CB  1 
ATOM   323  C CG  . HIS A 1 37  ? -43.925 -0.955  -35.942 1.00 19.49 ? 43  HIS B CG  1 
ATOM   324  N ND1 . HIS A 1 37  ? -43.174 -0.265  -36.855 1.00 18.72 ? 43  HIS B ND1 1 
ATOM   325  C CD2 . HIS A 1 37  ? -43.984 -2.227  -36.378 1.00 18.46 ? 43  HIS B CD2 1 
ATOM   326  C CE1 . HIS A 1 37  ? -42.797 -1.073  -37.812 1.00 18.07 ? 43  HIS B CE1 1 
ATOM   327  N NE2 . HIS A 1 37  ? -43.279 -2.330  -37.529 1.00 19.22 ? 43  HIS B NE2 1 
ATOM   328  N N   . GLN A 1 38  ? -41.410 0.943   -34.244 1.00 19.08 ? 44  GLN B N   1 
ATOM   329  C CA  . GLN A 1 38  ? -40.367 1.948   -34.561 1.00 19.20 ? 44  GLN B CA  1 
ATOM   330  C C   . GLN A 1 38  ? -40.141 2.196   -36.069 1.00 21.84 ? 44  GLN B C   1 
ATOM   331  O O   . GLN A 1 38  ? -39.063 2.724   -36.469 1.00 21.53 ? 44  GLN B O   1 
ATOM   332  C CB  . GLN A 1 38  ? -39.083 1.540   -33.861 1.00 19.44 ? 44  GLN B CB  1 
ATOM   333  C CG  . GLN A 1 38  ? -39.178 1.699   -32.372 1.00 18.04 ? 44  GLN B CG  1 
ATOM   334  C CD  . GLN A 1 38  ? -39.690 3.043   -31.918 1.00 19.45 ? 44  GLN B CD  1 
ATOM   335  O OE1 . GLN A 1 38  ? -40.653 3.165   -31.154 1.00 19.99 ? 44  GLN B OE1 1 
ATOM   336  N NE2 . GLN A 1 38  ? -39.035 4.092   -32.386 1.00 17.35 ? 44  GLN B NE2 1 
ATOM   337  N N   . ASN A 1 39  ? -41.112 1.915   -36.908 1.00 20.77 ? 45  ASN B N   1 
ATOM   338  C CA  . ASN A 1 39  ? -41.157 2.409   -38.321 1.00 17.95 ? 45  ASN B CA  1 
ATOM   339  C C   . ASN A 1 39  ? -40.072 1.760   -39.175 1.00 19.48 ? 45  ASN B C   1 
ATOM   340  O O   . ASN A 1 39  ? -39.589 2.366   -40.163 1.00 22.43 ? 45  ASN B O   1 
ATOM   341  C CB  . ASN A 1 39  ? -41.230 3.954   -38.386 1.00 19.61 ? 45  ASN B CB  1 
ATOM   342  C CG  . ASN A 1 39  ? -41.829 4.419   -39.710 1.00 21.45 ? 45  ASN B CG  1 
ATOM   343  O OD1 . ASN A 1 39  ? -42.682 3.750   -40.282 1.00 17.60 ? 45  ASN B OD1 1 
ATOM   344  N ND2 . ASN A 1 39  ? -41.373 5.556   -40.243 1.00 20.57 ? 45  ASN B ND2 1 
ATOM   345  N N   . VAL A 1 40  ? -39.777 0.474   -38.923 1.00 20.30 ? 46  VAL B N   1 
ATOM   346  C CA  . VAL A 1 40  ? -38.823 -0.355  -39.702 1.00 21.78 ? 46  VAL B CA  1 
ATOM   347  C C   . VAL A 1 40  ? -39.588 -1.430  -40.486 1.00 19.66 ? 46  VAL B C   1 
ATOM   348  O O   . VAL A 1 40  ? -40.693 -1.818  -40.038 1.00 21.30 ? 46  VAL B O   1 
ATOM   349  C CB  . VAL A 1 40  ? -37.748 -0.957  -38.782 1.00 23.09 ? 46  VAL B CB  1 
ATOM   350  C CG1 . VAL A 1 40  ? -36.918 0.155   -38.148 1.00 24.68 ? 46  VAL B CG1 1 
ATOM   351  C CG2 . VAL A 1 40  ? -38.307 -1.873  -37.703 1.00 23.86 ? 46  VAL B CG2 1 
ATOM   352  N N   . SER A 1 41  ? -39.043 -1.874  -41.610 1.00 21.52 ? 47  SER B N   1 
ATOM   353  C CA  . SER A 1 41  ? -39.586 -3.040  -42.347 1.00 22.05 ? 47  SER B CA  1 
ATOM   354  C C   . SER A 1 41  ? -39.384 -4.338  -41.547 1.00 23.59 ? 47  SER B C   1 
ATOM   355  O O   . SER A 1 41  ? -38.446 -4.410  -40.761 1.00 19.93 ? 47  SER B O   1 
ATOM   356  C CB  . SER A 1 41  ? -39.015 -3.143  -43.727 1.00 25.71 ? 47  SER B CB  1 
ATOM   357  O OG  . SER A 1 41  ? -37.621 -3.374  -43.693 1.00 28.44 ? 47  SER B OG  1 
ATOM   358  N N   . ASP A 1 42  ? -40.253 -5.329  -41.761 1.00 21.56 ? 48  ASP B N   1 
ATOM   359  C CA  . ASP A 1 42  ? -40.104 -6.692  -41.198 1.00 20.06 ? 48  ASP B CA  1 
ATOM   360  C C   . ASP A 1 42  ? -39.048 -7.408  -42.002 1.00 21.89 ? 48  ASP B C   1 
ATOM   361  O O   . ASP A 1 42  ? -38.818 -7.075  -43.177 1.00 23.31 ? 48  ASP B O   1 
ATOM   362  C CB  . ASP A 1 42  ? -41.428 -7.473  -41.133 1.00 23.09 ? 48  ASP B CB  1 
ATOM   363  C CG  . ASP A 1 42  ? -41.515 -8.471  -39.959 1.00 25.50 ? 48  ASP B CG  1 
ATOM   364  O OD1 . ASP A 1 42  ? -40.529 -8.617  -39.226 1.00 21.22 ? 48  ASP B OD1 1 
ATOM   365  O OD2 . ASP A 1 42  ? -42.650 -8.995  -39.646 1.00 28.45 ? 48  ASP B OD2 1 
ATOM   366  N N   . ASN A 1 43  ? -38.434 -8.415  -41.376 1.00 19.65 ? 49  ASN B N   1 
ATOM   367  C CA  . ASN A 1 43  ? -37.452 -9.318  -42.013 1.00 20.32 ? 49  ASN B CA  1 
ATOM   368  C C   . ASN A 1 43  ? -37.429 -10.608 -41.188 1.00 21.13 ? 49  ASN B C   1 
ATOM   369  O O   . ASN A 1 43  ? -38.008 -10.651 -40.067 1.00 20.29 ? 49  ASN B O   1 
ATOM   370  C CB  . ASN A 1 43  ? -36.110 -8.632  -42.215 1.00 18.95 ? 49  ASN B CB  1 
ATOM   371  C CG  . ASN A 1 43  ? -35.378 -8.403  -40.906 1.00 19.53 ? 49  ASN B CG  1 
ATOM   372  O OD1 . ASN A 1 43  ? -35.200 -9.349  -40.140 1.00 21.92 ? 49  ASN B OD1 1 
ATOM   373  N ND2 . ASN A 1 43  ? -35.019 -7.182  -40.628 1.00 18.79 ? 49  ASN B ND2 1 
ATOM   374  N N   . LYS A 1 44  ? -36.830 -11.643 -41.741 1.00 21.87 ? 50  LYS B N   1 
ATOM   375  C CA  . LYS A 1 44  ? -36.859 -12.989 -41.137 1.00 22.83 ? 50  LYS B CA  1 
ATOM   376  C C   . LYS A 1 44  ? -35.922 -13.050 -39.920 1.00 20.26 ? 50  LYS B C   1 
ATOM   377  O O   . LYS A 1 44  ? -36.107 -14.000 -39.137 1.00 21.97 ? 50  LYS B O   1 
ATOM   378  C CB  . LYS A 1 44  ? -36.428 -14.014 -42.188 1.00 26.12 ? 50  LYS B CB  1 
ATOM   379  C CG  . LYS A 1 44  ? -34.976 -13.919 -42.620 1.00 33.43 ? 50  LYS B CG  1 
ATOM   380  C CD  . LYS A 1 44  ? -34.589 -15.033 -43.588 1.00 43.95 ? 50  LYS B CD  1 
ATOM   381  C CE  . LYS A 1 44  ? -33.126 -15.414 -43.532 1.00 47.81 ? 50  LYS B CE  1 
ATOM   382  N NZ  . LYS A 1 44  ? -32.751 -16.155 -44.761 1.00 52.19 ? 50  LYS B NZ  1 
ATOM   383  N N   . GLU A 1 45  ? -35.048 -12.062 -39.715 1.00 18.72 ? 51  GLU B N   1 
ATOM   384  C CA  . GLU A 1 45  ? -34.128 -12.063 -38.538 1.00 19.55 ? 51  GLU B CA  1 
ATOM   385  C C   . GLU A 1 45  ? -34.856 -11.559 -37.299 1.00 18.10 ? 51  GLU B C   1 
ATOM   386  O O   . GLU A 1 45  ? -34.424 -11.883 -36.155 1.00 18.36 ? 51  GLU B O   1 
ATOM   387  C CB  . GLU A 1 45  ? -32.905 -11.206 -38.809 1.00 21.49 ? 51  GLU B CB  1 
ATOM   388  C CG  . GLU A 1 45  ? -32.119 -11.599 -40.048 1.00 27.75 ? 51  GLU B CG  1 
ATOM   389  C CD  . GLU A 1 45  ? -30.891 -10.730 -40.252 1.00 35.87 ? 51  GLU B CD  1 
ATOM   390  O OE1 . GLU A 1 45  ? -30.764 -10.131 -41.350 1.00 48.10 ? 51  GLU B OE1 1 
ATOM   391  O OE2 . GLU A 1 45  ? -30.083 -10.604 -39.313 1.00 41.95 ? 51  GLU B OE2 1 
ATOM   392  N N   . ARG A 1 46  ? -35.869 -10.695 -37.437 1.00 16.14 ? 52  ARG B N   1 
ATOM   393  C CA  . ARG A 1 46  ? -36.375 -10.004 -36.226 1.00 16.00 ? 52  ARG B CA  1 
ATOM   394  C C   . ARG A 1 46  ? -37.088 -10.947 -35.263 1.00 14.81 ? 52  ARG B C   1 
ATOM   395  O O   . ARG A 1 46  ? -38.002 -11.724 -35.657 1.00 16.74 ? 52  ARG B O   1 
ATOM   396  C CB  . ARG A 1 46  ? -37.349 -8.870  -36.577 1.00 16.07 ? 52  ARG B CB  1 
ATOM   397  C CG  . ARG A 1 46  ? -36.795 -7.759  -37.439 1.00 17.56 ? 52  ARG B CG  1 
ATOM   398  C CD  . ARG A 1 46  ? -37.705 -6.517  -37.385 1.00 17.05 ? 52  ARG B CD  1 
ATOM   399  N NE  . ARG A 1 46  ? -37.193 -5.509  -38.282 1.00 17.39 ? 52  ARG B NE  1 
ATOM   400  C CZ  . ARG A 1 46  ? -36.093 -4.805  -38.087 1.00 18.04 ? 52  ARG B CZ  1 
ATOM   401  N NH1 . ARG A 1 46  ? -35.465 -4.802  -36.909 1.00 17.25 ? 52  ARG B NH1 1 
ATOM   402  N NH2 . ARG A 1 46  ? -35.669 -3.999  -39.047 1.00 22.05 ? 52  ARG B NH2 1 
ATOM   403  N N   . PHE A 1 47  ? -36.800 -10.835 -33.970 1.00 14.39 ? 53  PHE B N   1 
ATOM   404  C CA  . PHE A 1 47  ? -37.604 -11.530 -32.959 1.00 14.92 ? 53  PHE B CA  1 
ATOM   405  C C   . PHE A 1 47  ? -39.023 -10.939 -32.964 1.00 16.86 ? 53  PHE B C   1 
ATOM   406  O O   . PHE A 1 47  ? -39.161 -9.738  -32.706 1.00 17.24 ? 53  PHE B O   1 
ATOM   407  C CB  . PHE A 1 47  ? -36.963 -11.443 -31.591 1.00 14.20 ? 53  PHE B CB  1 
ATOM   408  C CG  . PHE A 1 47  ? -35.727 -12.293 -31.468 1.00 14.03 ? 53  PHE B CG  1 
ATOM   409  C CD1 . PHE A 1 47  ? -35.829 -13.644 -31.166 1.00 15.02 ? 53  PHE B CD1 1 
ATOM   410  C CD2 . PHE A 1 47  ? -34.475 -11.735 -31.583 1.00 14.75 ? 53  PHE B CD2 1 
ATOM   411  C CE1 . PHE A 1 47  ? -34.696 -14.435 -31.045 1.00 15.30 ? 53  PHE B CE1 1 
ATOM   412  C CE2 . PHE A 1 47  ? -33.340 -12.534 -31.435 1.00 14.47 ? 53  PHE B CE2 1 
ATOM   413  C CZ  . PHE A 1 47  ? -33.460 -13.876 -31.184 1.00 14.20 ? 53  PHE B CZ  1 
ATOM   414  N N   . SER A 1 48  ? -40.047 -11.764 -33.168 1.00 17.09 ? 54  SER B N   1 
ATOM   415  C CA  . SER A 1 48  ? -41.436 -11.229 -33.308 1.00 19.14 ? 54  SER B CA  1 
ATOM   416  C C   . SER A 1 48  ? -42.158 -11.119 -31.973 1.00 17.17 ? 54  SER B C   1 
ATOM   417  O O   . SER A 1 48  ? -42.917 -10.143 -31.784 1.00 20.34 ? 54  SER B O   1 
ATOM   418  C CB  . SER A 1 48  ? -42.215 -12.061 -34.298 1.00 19.48 ? 54  SER B CB  1 
ATOM   419  O OG  . SER A 1 48  ? -42.300 -13.391 -33.880 1.00 20.05 ? 54  SER B OG  1 
ATOM   420  N N   . ASN A 1 49  ? -42.020 -12.042 -31.051 1.00 16.69 ? 55  ASN B N   1 
ATOM   421  C CA  . ASN A 1 49  ? -42.937 -12.161 -29.899 1.00 18.54 ? 55  ASN B CA  1 
ATOM   422  C C   . ASN A 1 49  ? -42.406 -11.473 -28.649 1.00 18.03 ? 55  ASN B C   1 
ATOM   423  O O   . ASN A 1 49  ? -43.147 -11.335 -27.640 1.00 19.25 ? 55  ASN B O   1 
ATOM   424  C CB  . ASN A 1 49  ? -43.270 -13.618 -29.593 1.00 18.42 ? 55  ASN B CB  1 
ATOM   425  C CG  . ASN A 1 49  ? -44.197 -14.278 -30.600 1.00 22.68 ? 55  ASN B CG  1 
ATOM   426  O OD1 . ASN A 1 49  ? -44.033 -14.160 -31.807 1.00 23.05 ? 55  ASN B OD1 1 
ATOM   427  N ND2 . ASN A 1 49  ? -45.110 -15.108 -30.093 1.00 25.89 ? 55  ASN B ND2 1 
ATOM   428  N N   . TYR A 1 50  ? -41.111 -11.125 -28.649 1.00 15.94 ? 56  TYR B N   1 
ATOM   429  C CA  . TYR A 1 50  ? -40.460 -10.655 -27.423 1.00 14.84 ? 56  TYR B CA  1 
ATOM   430  C C   . TYR A 1 50  ? -39.530 -9.507  -27.783 1.00 14.14 ? 56  TYR B C   1 
ATOM   431  O O   . TYR A 1 50  ? -39.027 -9.478  -28.905 1.00 14.95 ? 56  TYR B O   1 
ATOM   432  C CB  . TYR A 1 50  ? -39.654 -11.797 -26.799 1.00 15.13 ? 56  TYR B CB  1 
ATOM   433  C CG  . TYR A 1 50  ? -40.371 -13.126 -26.672 1.00 16.28 ? 56  TYR B CG  1 
ATOM   434  C CD1 . TYR A 1 50  ? -41.340 -13.323 -25.706 1.00 20.12 ? 56  TYR B CD1 1 
ATOM   435  C CD2 . TYR A 1 50  ? -40.074 -14.190 -27.510 1.00 18.12 ? 56  TYR B CD2 1 
ATOM   436  C CE1 . TYR A 1 50  ? -42.031 -14.531 -25.601 1.00 21.53 ? 56  TYR B CE1 1 
ATOM   437  C CE2 . TYR A 1 50  ? -40.796 -15.379 -27.472 1.00 19.96 ? 56  TYR B CE2 1 
ATOM   438  C CZ  . TYR A 1 50  ? -41.729 -15.567 -26.469 1.00 20.16 ? 56  TYR B CZ  1 
ATOM   439  O OH  . TYR A 1 50  ? -42.378 -16.778 -26.412 1.00 21.00 ? 56  TYR B OH  1 
ATOM   440  N N   . PRO A 1 51  ? -39.213 -8.618  -26.828 1.00 13.81 ? 57  PRO B N   1 
ATOM   441  C CA  . PRO A 1 51  ? -38.344 -7.453  -27.084 1.00 13.38 ? 57  PRO B CA  1 
ATOM   442  C C   . PRO A 1 51  ? -36.842 -7.812  -27.024 1.00 14.03 ? 57  PRO B C   1 
ATOM   443  O O   . PRO A 1 51  ? -36.113 -7.216  -26.253 1.00 14.63 ? 57  PRO B O   1 
ATOM   444  C CB  . PRO A 1 51  ? -38.770 -6.407  -26.007 1.00 16.22 ? 57  PRO B CB  1 
ATOM   445  C CG  . PRO A 1 51  ? -39.804 -7.110  -25.151 1.00 17.36 ? 57  PRO B CG  1 
ATOM   446  C CD  . PRO A 1 51  ? -39.814 -8.558  -25.493 1.00 14.23 ? 57  PRO B CD  1 
ATOM   447  N N   . MET A 1 52  ? -36.445 -8.679  -27.968 1.00 14.61 ? 58  MET B N   1 
ATOM   448  C CA  . MET A 1 52  ? -35.094 -9.280  -28.050 1.00 12.39 ? 58  MET B CA  1 
ATOM   449  C C   . MET A 1 52  ? -34.294 -8.693  -29.206 1.00 13.32 ? 58  MET B C   1 
ATOM   450  O O   . MET A 1 52  ? -34.831 -8.226  -30.256 1.00 13.44 ? 58  MET B O   1 
ATOM   451  C CB  . MET A 1 52  ? -35.188 -10.805 -28.226 1.00 13.13 ? 58  MET B CB  1 
ATOM   452  C CG  . MET A 1 52  ? -35.789 -11.485 -27.011 1.00 12.50 ? 58  MET B CG  1 
ATOM   453  S SD  . MET A 1 52  ? -36.283 -13.194 -27.422 1.00 14.79 ? 58  MET B SD  1 
ATOM   454  C CE  . MET A 1 52  ? -36.851 -13.769 -25.821 1.00 14.81 ? 58  MET B CE  1 
ATOM   455  N N   . VAL A 1 53  ? -32.966 -8.727  -29.046 1.00 12.98 ? 59  VAL B N   1 
ATOM   456  C CA  . VAL A 1 53  ? -32.006 -8.282  -30.091 1.00 12.87 ? 59  VAL B CA  1 
ATOM   457  C C   . VAL A 1 53  ? -30.707 -9.075  -29.875 1.00 13.79 ? 59  VAL B C   1 
ATOM   458  O O   . VAL A 1 53  ? -30.411 -9.454  -28.703 1.00 13.18 ? 59  VAL B O   1 
ATOM   459  C CB  . VAL A 1 53  ? -31.812 -6.749  -30.046 1.00 12.63 ? 59  VAL B CB  1 
ATOM   460  C CG1 . VAL A 1 53  ? -31.285 -6.283  -28.720 1.00 13.29 ? 59  VAL B CG1 1 
ATOM   461  C CG2 . VAL A 1 53  ? -30.926 -6.247  -31.170 1.00 14.54 ? 59  VAL B CG2 1 
ATOM   462  N N   . LEU A 1 54  ? -29.965 -9.280  -30.943 1.00 13.00 ? 60  LEU B N   1 
ATOM   463  C CA  . LEU A 1 54  ? -28.620 -9.927  -30.887 1.00 12.98 ? 60  LEU B CA  1 
ATOM   464  C C   . LEU A 1 54  ? -27.489 -8.926  -31.028 1.00 14.40 ? 60  LEU B C   1 
ATOM   465  O O   . LEU A 1 54  ? -27.630 -7.838  -31.680 1.00 14.38 ? 60  LEU B O   1 
ATOM   466  C CB  . LEU A 1 54  ? -28.458 -10.994 -31.971 1.00 12.57 ? 60  LEU B CB  1 
ATOM   467  C CG  . LEU A 1 54  ? -29.540 -12.058 -32.007 1.00 14.13 ? 60  LEU B CG  1 
ATOM   468  C CD1 . LEU A 1 54  ? -29.243 -13.155 -33.015 1.00 15.32 ? 60  LEU B CD1 1 
ATOM   469  C CD2 . LEU A 1 54  ? -29.779 -12.645 -30.607 1.00 14.30 ? 60  LEU B CD2 1 
ATOM   470  N N   . GLY A 1 55  ? -26.350 -9.253  -30.449 1.00 13.64 ? 61  GLY B N   1 
ATOM   471  C CA  . GLY A 1 55  ? -25.102 -8.547  -30.810 1.00 13.43 ? 61  GLY B CA  1 
ATOM   472  C C   . GLY A 1 55  ? -24.731 -8.870  -32.258 1.00 14.30 ? 61  GLY B C   1 
ATOM   473  O O   . GLY A 1 55  ? -25.057 -9.956  -32.734 1.00 14.78 ? 61  GLY B O   1 
ATOM   474  N N   . ALA A 1 56  ? -23.958 -7.987  -32.867 1.00 16.26 ? 62  ALA B N   1 
ATOM   475  C CA  . ALA A 1 56  ? -23.450 -8.176  -34.246 1.00 18.27 ? 62  ALA B CA  1 
ATOM   476  C C   . ALA A 1 56  ? -22.344 -9.232  -34.284 1.00 17.89 ? 62  ALA B C   1 
ATOM   477  O O   . ALA A 1 56  ? -22.192 -9.901  -35.300 1.00 20.96 ? 62  ALA B O   1 
ATOM   478  C CB  . ALA A 1 56  ? -22.953 -6.841  -34.726 1.00 20.86 ? 62  ALA B CB  1 
ATOM   479  N N   . GLN A 1 57  ? -21.579 -9.334  -33.210 1.00 17.10 ? 63  GLN B N   1 
ATOM   480  C CA  . GLN A 1 57  ? -20.382 -10.194 -33.181 1.00 16.68 ? 63  GLN B CA  1 
ATOM   481  C C   . GLN A 1 57  ? -20.814 -11.661 -33.191 1.00 18.04 ? 63  GLN B C   1 
ATOM   482  O O   . GLN A 1 57  ? -21.815 -12.030 -32.512 1.00 18.03 ? 63  GLN B O   1 
ATOM   483  C CB  . GLN A 1 57  ? -19.527 -9.830  -31.949 1.00 18.73 ? 63  GLN B CB  1 
ATOM   484  C CG  . GLN A 1 57  ? -18.837 -8.477  -32.052 1.00 21.42 ? 63  GLN B CG  1 
ATOM   485  C CD  . GLN A 1 57  ? -19.799 -7.305  -31.912 1.00 20.77 ? 63  GLN B CD  1 
ATOM   486  O OE1 . GLN A 1 57  ? -20.755 -7.349  -31.149 1.00 19.82 ? 63  GLN B OE1 1 
ATOM   487  N NE2 . GLN A 1 57  ? -19.554 -6.232  -32.628 1.00 22.52 ? 63  GLN B NE2 1 
ATOM   488  N N   . ARG A 1 58  ? -20.088 -12.516 -33.928 1.00 17.67 ? 64  ARG B N   1 
ATOM   489  C CA  . ARG A 1 58  ? -20.244 -13.978 -33.903 1.00 18.63 ? 64  ARG B CA  1 
ATOM   490  C C   . ARG A 1 58  ? -18.977 -14.591 -33.312 1.00 18.40 ? 64  ARG B C   1 
ATOM   491  O O   . ARG A 1 58  ? -17.876 -14.152 -33.688 1.00 19.71 ? 64  ARG B O   1 
ATOM   492  C CB  . ARG A 1 58  ? -20.386 -14.561 -35.320 1.00 22.74 ? 64  ARG B CB  1 
ATOM   493  C CG  . ARG A 1 58  ? -21.752 -14.439 -35.981 1.00 30.98 ? 64  ARG B CG  1 
ATOM   494  C CD  . ARG A 1 58  ? -22.325 -13.048 -35.952 1.00 31.35 ? 64  ARG B CD  1 
ATOM   495  N NE  . ARG A 1 58  ? -23.271 -12.531 -36.954 1.00 38.07 ? 64  ARG B NE  1 
ATOM   496  C CZ  . ARG A 1 58  ? -23.895 -13.193 -37.925 1.00 36.79 ? 64  ARG B CZ  1 
ATOM   497  N NH1 . ARG A 1 58  ? -24.720 -12.532 -38.719 1.00 42.97 ? 64  ARG B NH1 1 
ATOM   498  N NH2 . ARG A 1 58  ? -23.740 -14.486 -38.112 1.00 41.69 ? 64  ARG B NH2 1 
ATOM   499  N N   . PHE A 1 59  ? -19.094 -15.531 -32.380 1.00 17.81 ? 65  PHE B N   1 
ATOM   500  C CA  . PHE A 1 59  ? -17.912 -16.171 -31.740 1.00 16.55 ? 65  PHE B CA  1 
ATOM   501  C C   . PHE A 1 59  ? -17.958 -17.663 -32.021 1.00 15.24 ? 65  PHE B C   1 
ATOM   502  O O   . PHE A 1 59  ? -18.987 -18.303 -31.778 1.00 14.90 ? 65  PHE B O   1 
ATOM   503  C CB  . PHE A 1 59  ? -17.982 -15.912 -30.216 1.00 18.67 ? 65  PHE B CB  1 
ATOM   504  C CG  . PHE A 1 59  ? -17.959 -14.447 -29.864 1.00 21.44 ? 65  PHE B CG  1 
ATOM   505  C CD1 . PHE A 1 59  ? -16.946 -13.615 -30.319 1.00 23.76 ? 65  PHE B CD1 1 
ATOM   506  C CD2 . PHE A 1 59  ? -18.946 -13.905 -29.077 1.00 28.54 ? 65  PHE B CD2 1 
ATOM   507  C CE1 . PHE A 1 59  ? -16.937 -12.256 -30.038 1.00 26.77 ? 65  PHE B CE1 1 
ATOM   508  C CE2 . PHE A 1 59  ? -18.909 -12.551 -28.766 1.00 23.26 ? 65  PHE B CE2 1 
ATOM   509  C CZ  . PHE A 1 59  ? -17.931 -11.741 -29.260 1.00 23.97 ? 65  PHE B CZ  1 
ATOM   510  N N   A SER A 1 60  ? -16.856 -18.242 -32.524 0.25 15.00 ? 66  SER B N   1 
ATOM   511  N N   B SER A 1 60  ? -16.854 -18.236 -32.528 0.25 16.29 ? 66  SER B N   1 
ATOM   512  C CA  A SER A 1 60  ? -16.764 -19.695 -32.821 0.25 15.48 ? 66  SER B CA  1 
ATOM   513  C CA  B SER A 1 60  ? -16.726 -19.686 -32.831 0.25 17.76 ? 66  SER B CA  1 
ATOM   514  C C   A SER A 1 60  ? -15.534 -20.322 -32.138 0.25 15.81 ? 66  SER B C   1 
ATOM   515  C C   B SER A 1 60  ? -15.457 -20.264 -32.198 0.25 18.19 ? 66  SER B C   1 
ATOM   516  O O   A SER A 1 60  ? -15.385 -21.563 -32.210 0.25 15.50 ? 66  SER B O   1 
ATOM   517  O O   B SER A 1 60  ? -15.069 -21.388 -32.562 0.25 18.19 ? 66  SER B O   1 
ATOM   518  C CB  A SER A 1 60  ? -16.804 -19.929 -34.321 0.25 15.11 ? 66  SER B CB  1 
ATOM   519  C CB  B SER A 1 60  ? -16.702 -19.917 -34.310 0.25 17.94 ? 66  SER B CB  1 
ATOM   520  O OG  A SER A 1 60  ? -18.154 -19.819 -34.803 0.25 14.81 ? 66  SER B OG  1 
ATOM   521  O OG  B SER A 1 60  ? -15.614 -19.227 -34.876 0.25 19.81 ? 66  SER B OG  1 
ATOM   522  N N   A SER A 1 61  ? -14.749 -19.511 -31.417 0.25 16.09 ? 67  SER B N   1 
ATOM   523  N N   B SER A 1 61  ? -14.827 -19.522 -31.291 0.25 18.67 ? 67  SER B N   1 
ATOM   524  C CA  A SER A 1 61  ? -13.535 -19.940 -30.679 0.25 17.44 ? 67  SER B CA  1 
ATOM   525  C CA  B SER A 1 61  ? -13.548 -19.920 -30.669 0.25 20.19 ? 67  SER B CA  1 
ATOM   526  C C   A SER A 1 61  ? -13.217 -18.943 -29.563 0.25 18.10 ? 67  SER B C   1 
ATOM   527  C C   B SER A 1 61  ? -13.136 -18.896 -29.617 0.25 19.64 ? 67  SER B C   1 
ATOM   528  O O   A SER A 1 61  ? -13.799 -17.849 -29.564 0.25 18.11 ? 67  SER B O   1 
ATOM   529  O O   B SER A 1 61  ? -13.540 -17.724 -29.740 0.25 19.02 ? 67  SER B O   1 
ATOM   530  C CB  A SER A 1 61  ? -12.355 -20.068 -31.620 0.25 17.63 ? 67  SER B CB  1 
ATOM   531  C CB  B SER A 1 61  ? -12.486 -20.056 -31.727 0.25 21.62 ? 67  SER B CB  1 
ATOM   532  O OG  A SER A 1 61  ? -11.866 -18.789 -31.988 0.25 16.86 ? 67  SER B OG  1 
ATOM   533  O OG  B SER A 1 61  ? -11.275 -20.489 -31.142 0.25 23.36 ? 67  SER B OG  1 
ATOM   534  N N   . GLY A 1 62  ? -12.316 -19.321 -28.657 1.00 19.50 ? 68  GLY B N   1 
ATOM   535  C CA  . GLY A 1 62  ? -11.698 -18.369 -27.726 1.00 20.60 ? 68  GLY B CA  1 
ATOM   536  C C   . GLY A 1 62  ? -12.534 -18.064 -26.498 1.00 17.50 ? 68  GLY B C   1 
ATOM   537  O O   . GLY A 1 62  ? -13.545 -18.755 -26.249 1.00 17.44 ? 68  GLY B O   1 
ATOM   538  N N   . LYS A 1 63  ? -12.037 -17.090 -25.756 1.00 17.00 ? 69  LYS B N   1 
ATOM   539  C CA  . LYS A 1 63  ? -12.601 -16.640 -24.487 1.00 17.42 ? 69  LYS B CA  1 
ATOM   540  C C   . LYS A 1 63  ? -13.039 -15.196 -24.739 1.00 16.64 ? 69  LYS B C   1 
ATOM   541  O O   . LYS A 1 63  ? -12.265 -14.409 -25.260 1.00 18.11 ? 69  LYS B O   1 
ATOM   542  C CB  . LYS A 1 63  ? -11.580 -16.804 -23.366 1.00 19.54 ? 69  LYS B CB  1 
ATOM   543  C CG  . LYS A 1 63  ? -11.151 -18.229 -23.038 1.00 20.15 ? 69  LYS B CG  1 
ATOM   544  C CD  . LYS A 1 63  ? -10.032 -18.295 -21.960 1.00 24.00 ? 69  LYS B CD  1 
ATOM   545  C CE  . LYS A 1 63  ? -9.582  -19.703 -21.628 1.00 27.89 ? 69  LYS B CE  1 
ATOM   546  N NZ  . LYS A 1 63  ? -8.502  -19.690 -20.616 1.00 32.90 ? 69  LYS B NZ  1 
ATOM   547  N N   . MET A 1 64  ? -14.236 -14.827 -24.301 1.00 16.40 ? 70  MET B N   1 
ATOM   548  C CA  . MET A 1 64  ? -14.874 -13.512 -24.538 1.00 16.07 ? 70  MET B CA  1 
ATOM   549  C C   . MET A 1 64  ? -15.538 -13.059 -23.247 1.00 15.12 ? 70  MET B C   1 
ATOM   550  O O   . MET A 1 64  ? -16.103 -13.904 -22.537 1.00 16.89 ? 70  MET B O   1 
ATOM   551  C CB  . MET A 1 64  ? -15.967 -13.607 -25.588 1.00 15.87 ? 70  MET B CB  1 
ATOM   552  C CG  . MET A 1 64  ? -15.486 -13.763 -27.019 1.00 16.82 ? 70  MET B CG  1 
ATOM   553  S SD  . MET A 1 64  ? -14.786 -15.369 -27.516 1.00 19.96 ? 70  MET B SD  1 
ATOM   554  C CE  . MET A 1 64  ? -16.008 -16.576 -27.062 1.00 19.67 ? 70  MET B CE  1 
ATOM   555  N N   . TYR A 1 65  ? -15.495 -11.774 -22.973 1.00 15.00 ? 71  TYR B N   1 
ATOM   556  C CA  . TYR A 1 65  ? -16.108 -11.203 -21.747 1.00 16.48 ? 71  TYR B CA  1 
ATOM   557  C C   . TYR A 1 65  ? -16.728 -9.857  -22.096 1.00 17.22 ? 71  TYR B C   1 
ATOM   558  O O   . TYR A 1 65  ? -16.054 -9.019  -22.813 1.00 17.54 ? 71  TYR B O   1 
ATOM   559  C CB  . TYR A 1 65  ? -15.043 -11.015 -20.663 1.00 18.74 ? 71  TYR B CB  1 
ATOM   560  C CG  . TYR A 1 65  ? -15.544 -10.435 -19.361 1.00 17.63 ? 71  TYR B CG  1 
ATOM   561  C CD1 . TYR A 1 65  ? -16.298 -11.197 -18.483 1.00 18.01 ? 71  TYR B CD1 1 
ATOM   562  C CD2 . TYR A 1 65  ? -15.405 -9.084  -19.089 1.00 18.65 ? 71  TYR B CD2 1 
ATOM   563  C CE1 . TYR A 1 65  ? -16.799 -10.676 -17.301 1.00 18.05 ? 71  TYR B CE1 1 
ATOM   564  C CE2 . TYR A 1 65  ? -15.890 -8.544  -17.904 1.00 16.86 ? 71  TYR B CE2 1 
ATOM   565  C CZ  . TYR A 1 65  ? -16.637 -9.322  -17.052 1.00 18.47 ? 71  TYR B CZ  1 
ATOM   566  O OH  . TYR A 1 65  ? -17.098 -8.721  -15.921 1.00 20.08 ? 71  TYR B OH  1 
ATOM   567  N N   . TRP A 1 66  ? -17.927 -9.605  -21.621 1.00 14.41 ? 72  TRP B N   1 
ATOM   568  C CA  . TRP A 1 66  ? -18.530 -8.259  -21.719 1.00 14.82 ? 72  TRP B CA  1 
ATOM   569  C C   . TRP A 1 66  ? -19.432 -7.999  -20.509 1.00 15.69 ? 72  TRP B C   1 
ATOM   570  O O   . TRP A 1 66  ? -19.733 -8.918  -19.747 1.00 15.64 ? 72  TRP B O   1 
ATOM   571  C CB  . TRP A 1 66  ? -19.269 -8.054  -23.058 1.00 13.64 ? 72  TRP B CB  1 
ATOM   572  C CG  . TRP A 1 66  ? -20.433 -8.956  -23.314 1.00 13.63 ? 72  TRP B CG  1 
ATOM   573  C CD1 . TRP A 1 66  ? -21.756 -8.667  -23.094 1.00 14.58 ? 72  TRP B CD1 1 
ATOM   574  C CD2 . TRP A 1 66  ? -20.413 -10.280 -23.861 1.00 14.84 ? 72  TRP B CD2 1 
ATOM   575  N NE1 . TRP A 1 66  ? -22.545 -9.706  -23.514 1.00 14.06 ? 72  TRP B NE1 1 
ATOM   576  C CE2 . TRP A 1 66  ? -21.742 -10.734 -23.940 1.00 15.16 ? 72  TRP B CE2 1 
ATOM   577  C CE3 . TRP A 1 66  ? -19.397 -11.140 -24.286 1.00 17.01 ? 72  TRP B CE3 1 
ATOM   578  C CZ2 . TRP A 1 66  ? -22.083 -11.976 -24.434 1.00 16.49 ? 72  TRP B CZ2 1 
ATOM   579  C CZ3 . TRP A 1 66  ? -19.727 -12.375 -24.758 1.00 18.44 ? 72  TRP B CZ3 1 
ATOM   580  C CH2 . TRP A 1 66  ? -21.050 -12.800 -24.817 1.00 17.33 ? 72  TRP B CH2 1 
ATOM   581  N N   . GLU A 1 67  ? -19.851 -6.738  -20.348 1.00 15.34 ? 73  GLU B N   1 
ATOM   582  C CA  . GLU A 1 67  ? -20.639 -6.302  -19.170 1.00 15.02 ? 73  GLU B CA  1 
ATOM   583  C C   . GLU A 1 67  ? -21.848 -5.508  -19.633 1.00 15.53 ? 73  GLU B C   1 
ATOM   584  O O   . GLU A 1 67  ? -21.743 -4.819  -20.644 1.00 15.81 ? 73  GLU B O   1 
ATOM   585  C CB  . GLU A 1 67  ? -19.838 -5.460  -18.184 1.00 16.70 ? 73  GLU B CB  1 
ATOM   586  C CG  . GLU A 1 67  ? -18.765 -6.296  -17.509 1.00 17.65 ? 73  GLU B CG  1 
ATOM   587  C CD  . GLU A 1 67  ? -17.890 -5.539  -16.514 1.00 21.16 ? 73  GLU B CD  1 
ATOM   588  O OE1 . GLU A 1 67  ? -18.092 -4.271  -16.399 1.00 24.25 ? 73  GLU B OE1 1 
ATOM   589  O OE2 . GLU A 1 67  ? -17.059 -6.203  -15.775 1.00 20.35 ? 73  GLU B OE2 1 
ATOM   590  N N   . VAL A 1 68  ? -22.974 -5.746  -18.970 1.00 15.60 ? 74  VAL B N   1 
ATOM   591  C CA  . VAL A 1 68  ? -24.246 -5.077  -19.296 1.00 14.02 ? 74  VAL B CA  1 
ATOM   592  C C   . VAL A 1 68  ? -24.815 -4.387  -18.046 1.00 14.09 ? 74  VAL B C   1 
ATOM   593  O O   . VAL A 1 68  ? -24.920 -5.016  -16.989 1.00 14.77 ? 74  VAL B O   1 
ATOM   594  C CB  . VAL A 1 68  ? -25.268 -6.095  -19.848 1.00 14.03 ? 74  VAL B CB  1 
ATOM   595  C CG1 . VAL A 1 68  ? -26.517 -5.386  -20.321 1.00 16.18 ? 74  VAL B CG1 1 
ATOM   596  C CG2 . VAL A 1 68  ? -24.646 -6.973  -20.922 1.00 15.25 ? 74  VAL B CG2 1 
ATOM   597  N N   . ASP A 1 69  ? -25.310 -3.148  -18.212 1.00 14.15 ? 75  ASP B N   1 
ATOM   598  C CA  . ASP A 1 69  ? -25.966 -2.337  -17.155 1.00 16.36 ? 75  ASP B CA  1 
ATOM   599  C C   . ASP A 1 69  ? -27.458 -2.651  -17.212 1.00 14.78 ? 75  ASP B C   1 
ATOM   600  O O   . ASP A 1 69  ? -28.059 -2.584  -18.338 1.00 15.29 ? 75  ASP B O   1 
ATOM   601  C CB  . ASP A 1 69  ? -25.659 -0.843  -17.340 1.00 18.76 ? 75  ASP B CB  1 
ATOM   602  C CG  . ASP A 1 69  ? -26.023 -0.020  -16.111 1.00 20.37 ? 75  ASP B CG  1 
ATOM   603  O OD1 . ASP A 1 69  ? -27.184 -0.028  -15.736 1.00 20.77 ? 75  ASP B OD1 1 
ATOM   604  O OD2 . ASP A 1 69  ? -25.097 0.507   -15.470 1.00 27.36 ? 75  ASP B OD2 1 
ATOM   605  N N   . VAL A 1 70  ? -28.009 -3.055  -16.072 1.00 14.92 ? 76  VAL B N   1 
ATOM   606  C CA  . VAL A 1 70  ? -29.438 -3.406  -15.913 1.00 15.98 ? 76  VAL B CA  1 
ATOM   607  C C   . VAL A 1 70  ? -30.119 -2.483  -14.874 1.00 16.41 ? 76  VAL B C   1 
ATOM   608  O O   . VAL A 1 70  ? -31.202 -2.823  -14.374 1.00 15.80 ? 76  VAL B O   1 
ATOM   609  C CB  . VAL A 1 70  ? -29.589 -4.906  -15.554 1.00 15.48 ? 76  VAL B CB  1 
ATOM   610  C CG1 . VAL A 1 70  ? -29.011 -5.816  -16.673 1.00 14.98 ? 76  VAL B CG1 1 
ATOM   611  C CG2 . VAL A 1 70  ? -29.007 -5.295  -14.211 1.00 15.67 ? 76  VAL B CG2 1 
ATOM   612  N N   . THR A 1 71  ? -29.472 -1.383  -14.502 1.00 16.42 ? 77  THR B N   1 
ATOM   613  C CA  . THR A 1 71  ? -29.981 -0.464  -13.452 1.00 17.73 ? 77  THR B CA  1 
ATOM   614  C C   . THR A 1 71  ? -31.482 -0.139  -13.648 1.00 18.65 ? 77  THR B C   1 
ATOM   615  O O   . THR A 1 71  ? -31.910 0.227   -14.741 1.00 17.66 ? 77  THR B O   1 
ATOM   616  C CB  . THR A 1 71  ? -29.166 0.824   -13.409 1.00 18.68 ? 77  THR B CB  1 
ATOM   617  O OG1 . THR A 1 71  ? -27.788 0.561   -13.173 1.00 20.88 ? 77  THR B OG1 1 
ATOM   618  C CG2 . THR A 1 71  ? -29.718 1.707   -12.309 1.00 21.45 ? 77  THR B CG2 1 
ATOM   619  N N   . GLN A 1 72  ? -32.216 -0.308  -12.561 1.00 23.04 ? 78  GLN B N   1 
ATOM   620  C CA  . GLN A 1 72  ? -33.647 0.024   -12.343 1.00 26.07 ? 78  GLN B CA  1 
ATOM   621  C C   . GLN A 1 72  ? -34.573 -0.760  -13.282 1.00 28.77 ? 78  GLN B C   1 
ATOM   622  O O   . GLN A 1 72  ? -35.779 -0.427  -13.358 1.00 29.93 ? 78  GLN B O   1 
ATOM   623  C CB  . GLN A 1 72  ? -33.833 1.540   -12.390 1.00 34.64 ? 78  GLN B CB  1 
ATOM   624  C CG  . GLN A 1 72  ? -33.732 2.161   -13.776 1.00 42.93 ? 78  GLN B CG  1 
ATOM   625  C CD  . GLN A 1 72  ? -34.812 3.188   -14.035 1.00 48.04 ? 78  GLN B CD  1 
ATOM   626  O OE1 . GLN A 1 72  ? -34.568 4.231   -14.648 1.00 49.14 ? 78  GLN B OE1 1 
ATOM   627  N NE2 . GLN A 1 72  ? -36.029 2.866   -13.610 1.00 53.30 ? 78  GLN B NE2 1 
ATOM   628  N N   . LYS A 1 73  ? -34.118 -1.826  -13.931 1.00 17.42 ? 79  LYS B N   1 
ATOM   629  C CA  . LYS A 1 73  ? -35.089 -2.651  -14.674 1.00 16.50 ? 79  LYS B CA  1 
ATOM   630  C C   . LYS A 1 73  ? -35.761 -3.699  -13.769 1.00 15.23 ? 79  LYS B C   1 
ATOM   631  O O   . LYS A 1 73  ? -35.105 -4.242  -12.825 1.00 17.44 ? 79  LYS B O   1 
ATOM   632  C CB  . LYS A 1 73  ? -34.337 -3.311  -15.835 1.00 18.11 ? 79  LYS B CB  1 
ATOM   633  C CG  . LYS A 1 73  ? -33.875 -2.314  -16.913 1.00 17.31 ? 79  LYS B CG  1 
ATOM   634  C CD  . LYS A 1 73  ? -33.372 -2.992  -18.181 1.00 19.19 ? 79  LYS B CD  1 
ATOM   635  C CE  . LYS A 1 73  ? -34.449 -3.759  -18.924 1.00 17.38 ? 79  LYS B CE  1 
ATOM   636  N NZ  . LYS A 1 73  ? -35.636 -2.913  -19.261 1.00 15.49 ? 79  LYS B NZ  1 
ATOM   637  N N   . GLU A 1 74  ? -37.014 -3.996  -14.044 1.00 14.67 ? 80  GLU B N   1 
ATOM   638  C CA  . GLU A 1 74  ? -37.828 -5.019  -13.355 1.00 14.92 ? 80  GLU B CA  1 
ATOM   639  C C   . GLU A 1 74  ? -37.702 -6.398  -14.015 1.00 15.08 ? 80  GLU B C   1 
ATOM   640  O O   . GLU A 1 74  ? -38.116 -7.402  -13.425 1.00 15.69 ? 80  GLU B O   1 
ATOM   641  C CB  . GLU A 1 74  ? -39.314 -4.611  -13.335 1.00 16.76 ? 80  GLU B CB  1 
ATOM   642  C CG  . GLU A 1 74  ? -39.584 -3.373  -12.494 1.00 18.94 ? 80  GLU B CG  1 
ATOM   643  C CD  . GLU A 1 74  ? -41.047 -2.946  -12.605 1.00 18.42 ? 80  GLU B CD  1 
ATOM   644  O OE1 . GLU A 1 74  ? -41.452 -2.087  -11.792 1.00 22.59 ? 80  GLU B OE1 1 
ATOM   645  O OE2 . GLU A 1 74  ? -41.754 -3.482  -13.512 1.00 21.78 ? 80  GLU B OE2 1 
ATOM   646  N N   . ALA A 1 75  ? -37.358 -6.431  -15.316 1.00 14.99 ? 81  ALA B N   1 
ATOM   647  C CA  . ALA A 1 75  ? -37.365 -7.700  -16.064 1.00 14.39 ? 81  ALA B CA  1 
ATOM   648  C C   . ALA A 1 75  ? -36.370 -7.570  -17.211 1.00 16.02 ? 81  ALA B C   1 
ATOM   649  O O   . ALA A 1 75  ? -36.321 -6.514  -17.852 1.00 15.41 ? 81  ALA B O   1 
ATOM   650  C CB  . ALA A 1 75  ? -38.716 -8.030  -16.627 1.00 15.25 ? 81  ALA B CB  1 
ATOM   651  N N   . TRP A 1 76  ? -35.655 -8.650  -17.501 1.00 13.17 ? 82  TRP B N   1 
ATOM   652  C CA  . TRP A 1 76  ? -34.674 -8.728  -18.619 1.00 13.86 ? 82  TRP B CA  1 
ATOM   653  C C   . TRP A 1 76  ? -34.163 -10.152 -18.703 1.00 13.71 ? 82  TRP B C   1 
ATOM   654  O O   . TRP A 1 76  ? -34.304 -10.903 -17.729 1.00 14.14 ? 82  TRP B O   1 
ATOM   655  C CB  . TRP A 1 76  ? -33.490 -7.770  -18.440 1.00 13.60 ? 82  TRP B CB  1 
ATOM   656  C CG  . TRP A 1 76  ? -32.823 -7.798  -17.101 1.00 14.17 ? 82  TRP B CG  1 
ATOM   657  C CD1 . TRP A 1 76  ? -33.040 -6.939  -16.079 1.00 16.01 ? 82  TRP B CD1 1 
ATOM   658  C CD2 . TRP A 1 76  ? -31.866 -8.759  -16.582 1.00 12.74 ? 82  TRP B CD2 1 
ATOM   659  N NE1 . TRP A 1 76  ? -32.263 -7.230  -14.993 1.00 15.16 ? 82  TRP B NE1 1 
ATOM   660  C CE2 . TRP A 1 76  ? -31.566 -8.384  -15.255 1.00 14.77 ? 82  TRP B CE2 1 
ATOM   661  C CE3 . TRP A 1 76  ? -31.242 -9.922  -17.099 1.00 14.83 ? 82  TRP B CE3 1 
ATOM   662  C CZ2 . TRP A 1 76  ? -30.654 -9.039  -14.445 1.00 14.88 ? 82  TRP B CZ2 1 
ATOM   663  C CZ3 . TRP A 1 76  ? -30.335 -10.589 -16.296 1.00 14.64 ? 82  TRP B CZ3 1 
ATOM   664  C CH2 . TRP A 1 76  ? -30.074 -10.165 -14.970 1.00 15.57 ? 82  TRP B CH2 1 
ATOM   665  N N   . ASP A 1 77  ? -33.653 -10.502 -19.884 1.00 13.00 ? 83  ASP B N   1 
ATOM   666  C CA  . ASP A 1 77  ? -32.907 -11.781 -20.113 1.00 13.26 ? 83  ASP B CA  1 
ATOM   667  C C   . ASP A 1 77  ? -31.528 -11.376 -20.677 1.00 13.59 ? 83  ASP B C   1 
ATOM   668  O O   . ASP A 1 77  ? -31.487 -10.494 -21.558 1.00 13.09 ? 83  ASP B O   1 
ATOM   669  C CB  . ASP A 1 77  ? -33.616 -12.708 -21.094 1.00 14.07 ? 83  ASP B CB  1 
ATOM   670  C CG  . ASP A 1 77  ? -35.103 -12.961 -20.944 1.00 15.75 ? 83  ASP B CG  1 
ATOM   671  O OD1 . ASP A 1 77  ? -35.543 -12.966 -19.827 1.00 21.32 ? 83  ASP B OD1 1 
ATOM   672  O OD2 . ASP A 1 77  ? -35.762 -13.166 -21.958 1.00 19.02 ? 83  ASP B OD2 1 
ATOM   673  N N   . LEU A 1 78  ? -30.444 -12.070 -20.325 1.00 12.14 ? 84  LEU B N   1 
ATOM   674  C CA  . LEU A 1 78  ? -29.083 -11.808 -20.852 1.00 12.20 ? 84  LEU B CA  1 
ATOM   675  C C   . LEU A 1 78  ? -28.380 -13.138 -21.039 1.00 12.43 ? 84  LEU B C   1 
ATOM   676  O O   . LEU A 1 78  ? -28.491 -14.050 -20.192 1.00 12.57 ? 84  LEU B O   1 
ATOM   677  C CB  . LEU A 1 78  ? -28.256 -10.956 -19.909 1.00 12.29 ? 84  LEU B CB  1 
ATOM   678  C CG  . LEU A 1 78  ? -28.645 -9.476  -19.782 1.00 14.09 ? 84  LEU B CG  1 
ATOM   679  C CD1 . LEU A 1 78  ? -27.830 -8.843  -18.671 1.00 14.83 ? 84  LEU B CD1 1 
ATOM   680  C CD2 . LEU A 1 78  ? -28.440 -8.799  -21.112 1.00 14.31 ? 84  LEU B CD2 1 
ATOM   681  N N   . GLY A 1 79  ? -27.557 -13.181 -22.069 1.00 11.08 ? 85  GLY B N   1 
ATOM   682  C CA  . GLY A 1 79  ? -26.573 -14.266 -22.187 1.00 11.94 ? 85  GLY B CA  1 
ATOM   683  C C   . GLY A 1 79  ? -26.067 -14.363 -23.612 1.00 11.53 ? 85  GLY B C   1 
ATOM   684  O O   . GLY A 1 79  ? -25.682 -13.361 -24.191 1.00 11.47 ? 85  GLY B O   1 
ATOM   685  N N   A VAL A 1 80  ? -25.951 -15.601 -24.105 0.25 11.19 ? 86  VAL B N   1 
ATOM   686  N N   B VAL A 1 80  ? -26.055 -15.574 -24.150 0.25 11.97 ? 86  VAL B N   1 
ATOM   687  C CA  A VAL A 1 80  ? -25.581 -15.925 -25.512 0.25 11.37 ? 86  VAL B CA  1 
ATOM   688  C CA  B VAL A 1 80  ? -25.540 -15.839 -25.516 0.25 12.59 ? 86  VAL B CA  1 
ATOM   689  C C   A VAL A 1 80  ? -26.592 -16.874 -26.137 0.25 11.39 ? 86  VAL B C   1 
ATOM   690  C C   B VAL A 1 80  ? -26.405 -16.943 -26.139 0.25 12.07 ? 86  VAL B C   1 
ATOM   691  O O   A VAL A 1 80  ? -27.344 -17.586 -25.442 0.25 11.27 ? 86  VAL B O   1 
ATOM   692  O O   B VAL A 1 80  ? -26.968 -17.766 -25.414 0.25 12.16 ? 86  VAL B O   1 
ATOM   693  C CB  A VAL A 1 80  ? -24.188 -16.566 -25.643 0.25 11.01 ? 86  VAL B CB  1 
ATOM   694  C CB  B VAL A 1 80  ? -24.033 -16.166 -25.431 0.25 13.38 ? 86  VAL B CB  1 
ATOM   695  C CG1 A VAL A 1 80  ? -23.100 -15.546 -25.366 0.25 10.74 ? 86  VAL B CG1 1 
ATOM   696  C CG1 B VAL A 1 80  ? -23.768 -17.490 -24.731 0.25 13.83 ? 86  VAL B CG1 1 
ATOM   697  C CG2 A VAL A 1 80  ? -24.028 -17.811 -24.778 0.25 11.50 ? 86  VAL B CG2 1 
ATOM   698  C CG2 B VAL A 1 80  ? -23.342 -16.099 -26.781 0.25 14.09 ? 86  VAL B CG2 1 
ATOM   699  N N   . CYS A 1 81  ? -26.567 -16.936 -27.461 1.00 11.47 ? 87  CYS B N   1 
ATOM   700  C CA  . CYS A 1 81  ? -27.389 -17.924 -28.141 1.00 12.54 ? 87  CYS B CA  1 
ATOM   701  C C   . CYS A 1 81  ? -26.722 -18.337 -29.446 1.00 12.59 ? 87  CYS B C   1 
ATOM   702  O O   . CYS A 1 81  ? -25.825 -17.620 -29.940 1.00 12.88 ? 87  CYS B O   1 
ATOM   703  C CB  . CYS A 1 81  ? -28.789 -17.409 -28.422 1.00 13.59 ? 87  CYS B CB  1 
ATOM   704  S SG  . CYS A 1 81  ? -28.883 -15.995 -29.561 1.00 14.54 ? 87  CYS B SG  1 
ATOM   705  N N   A ARG A 1 82  ? -27.161 -19.464 -29.979 0.25 13.58 ? 88  ARG B N   1 
ATOM   706  N N   B ARG A 1 82  ? -27.133 -19.477 -29.977 0.25 12.52 ? 88  ARG B N   1 
ATOM   707  C CA  A ARG A 1 82  ? -26.761 -19.902 -31.336 0.25 14.64 ? 88  ARG B CA  1 
ATOM   708  C CA  B ARG A 1 82  ? -26.680 -19.946 -31.312 0.25 12.80 ? 88  ARG B CA  1 
ATOM   709  C C   A ARG A 1 82  ? -27.163 -18.842 -32.361 0.25 14.27 ? 88  ARG B C   1 
ATOM   710  C C   B ARG A 1 82  ? -27.197 -18.978 -32.391 0.25 13.43 ? 88  ARG B C   1 
ATOM   711  O O   A ARG A 1 82  ? -28.208 -18.181 -32.211 0.25 13.83 ? 88  ARG B O   1 
ATOM   712  O O   B ARG A 1 82  ? -28.369 -18.519 -32.295 0.25 13.62 ? 88  ARG B O   1 
ATOM   713  C CB  A ARG A 1 82  ? -27.417 -21.234 -31.690 0.25 16.33 ? 88  ARG B CB  1 
ATOM   714  C CB  B ARG A 1 82  ? -27.167 -21.382 -31.540 0.25 12.80 ? 88  ARG B CB  1 
ATOM   715  C CG  A ARG A 1 82  ? -26.819 -22.399 -30.926 0.25 18.00 ? 88  ARG B CG  1 
ATOM   716  C CG  B ARG A 1 82  ? -26.495 -22.099 -32.702 0.25 12.45 ? 88  ARG B CG  1 
ATOM   717  C CD  A ARG A 1 82  ? -27.373 -23.734 -31.369 0.25 19.55 ? 88  ARG B CD  1 
ATOM   718  C CD  B ARG A 1 82  ? -27.080 -23.469 -32.960 0.25 12.51 ? 88  ARG B CD  1 
ATOM   719  N NE  A ARG A 1 82  ? -27.030 -24.761 -30.394 0.25 19.23 ? 88  ARG B NE  1 
ATOM   720  N NE  B ARG A 1 82  ? -26.931 -24.301 -31.784 0.25 12.40 ? 88  ARG B NE  1 
ATOM   721  C CZ  A ARG A 1 82  ? -27.862 -25.709 -30.000 0.25 19.19 ? 88  ARG B CZ  1 
ATOM   722  C CZ  B ARG A 1 82  ? -27.933 -24.893 -31.122 0.25 12.07 ? 88  ARG B CZ  1 
ATOM   723  N NH1 A ARG A 1 82  ? -29.089 -25.759 -30.488 0.25 18.97 ? 88  ARG B NH1 1 
ATOM   724  N NH1 B ARG A 1 82  ? -29.169 -24.819 -31.559 0.25 13.41 ? 88  ARG B NH1 1 
ATOM   725  N NH2 A ARG A 1 82  ? -27.457 -26.611 -29.130 0.25 20.18 ? 88  ARG B NH2 1 
ATOM   726  N NH2 B ARG A 1 82  ? -27.673 -25.576 -30.019 0.25 12.02 ? 88  ARG B NH2 1 
ATOM   727  N N   . ASP A 1 83  ? -26.376 -18.717 -33.420 1.00 14.46 ? 89  ASP B N   1 
ATOM   728  C CA  . ASP A 1 83  ? -26.772 -17.788 -34.510 1.00 15.84 ? 89  ASP B CA  1 
ATOM   729  C C   . ASP A 1 83  ? -28.074 -18.284 -35.129 1.00 17.00 ? 89  ASP B C   1 
ATOM   730  O O   . ASP A 1 83  ? -28.822 -17.436 -35.684 1.00 20.30 ? 89  ASP B O   1 
ATOM   731  C CB  . ASP A 1 83  ? -25.653 -17.670 -35.535 1.00 18.04 ? 89  ASP B CB  1 
ATOM   732  C CG  . ASP A 1 83  ? -25.232 -18.936 -36.229 1.00 19.82 ? 89  ASP B CG  1 
ATOM   733  O OD1 . ASP A 1 83  ? -25.708 -20.032 -35.887 1.00 21.60 ? 89  ASP B OD1 1 
ATOM   734  O OD2 . ASP A 1 83  ? -24.437 -18.772 -37.209 1.00 23.70 ? 89  ASP B OD2 1 
ATOM   735  N N   . SER A 1 84  ? -28.418 -19.568 -35.088 1.00 14.88 ? 90  SER B N   1 
ATOM   736  C CA  . SER A 1 84  ? -29.591 -20.103 -35.811 1.00 17.04 ? 90  SER B CA  1 
ATOM   737  C C   . SER A 1 84  ? -30.829 -20.257 -34.930 1.00 15.27 ? 90  SER B C   1 
ATOM   738  O O   . SER A 1 84  ? -31.739 -21.004 -35.288 1.00 16.49 ? 90  SER B O   1 
ATOM   739  C CB  . SER A 1 84  ? -29.216 -21.398 -36.482 1.00 19.12 ? 90  SER B CB  1 
ATOM   740  O OG  . SER A 1 84  ? -28.705 -22.306 -35.568 1.00 19.90 ? 90  SER B OG  1 
ATOM   741  N N   . VAL A 1 85  ? -30.888 -19.623 -33.750 1.00 14.44 ? 91  VAL B N   1 
ATOM   742  C CA  . VAL A 1 85  ? -32.104 -19.741 -32.909 1.00 15.43 ? 91  VAL B CA  1 
ATOM   743  C C   . VAL A 1 85  ? -33.334 -19.250 -33.677 1.00 14.92 ? 91  VAL B C   1 
ATOM   744  O O   . VAL A 1 85  ? -33.231 -18.321 -34.518 1.00 15.86 ? 91  VAL B O   1 
ATOM   745  C CB  . VAL A 1 85  ? -31.991 -19.011 -31.555 1.00 15.10 ? 91  VAL B CB  1 
ATOM   746  C CG1 . VAL A 1 85  ? -30.929 -19.656 -30.686 1.00 15.78 ? 91  VAL B CG1 1 
ATOM   747  C CG2 . VAL A 1 85  ? -31.790 -17.530 -31.696 1.00 14.18 ? 91  VAL B CG2 1 
ATOM   748  N N   . GLN A 1 86  ? -34.449 -19.884 -33.348 1.00 17.00 ? 92  GLN B N   1 
ATOM   749  C CA  . GLN A 1 86  ? -35.814 -19.476 -33.800 1.00 17.92 ? 92  GLN B CA  1 
ATOM   750  C C   . GLN A 1 86  ? -36.037 -17.972 -33.507 1.00 17.39 ? 92  GLN B C   1 
ATOM   751  O O   . GLN A 1 86  ? -35.716 -17.510 -32.425 1.00 17.12 ? 92  GLN B O   1 
ATOM   752  C CB  . GLN A 1 86  ? -36.832 -20.352 -33.065 1.00 20.00 ? 92  GLN B CB  1 
ATOM   753  C CG  . GLN A 1 86  ? -38.302 -20.057 -33.316 1.00 23.05 ? 92  GLN B CG  1 
ATOM   754  C CD  . GLN A 1 86  ? -39.221 -20.907 -32.454 1.00 24.70 ? 92  GLN B CD  1 
ATOM   755  O OE1 . GLN A 1 86  ? -38.805 -21.893 -31.814 1.00 27.97 ? 92  GLN B OE1 1 
ATOM   756  N NE2 . GLN A 1 86  ? -40.499 -20.535 -32.388 1.00 25.81 ? 92  GLN B NE2 1 
ATOM   757  N N   . ARG A 1 87  ? -36.651 -17.243 -34.435 1.00 15.75 ? 93  ARG B N   1 
ATOM   758  C CA  . ARG A 1 87  ? -36.921 -15.793 -34.281 1.00 16.35 ? 93  ARG B CA  1 
ATOM   759  C C   . ARG A 1 87  ? -38.426 -15.569 -34.154 1.00 16.87 ? 93  ARG B C   1 
ATOM   760  O O   . ARG A 1 87  ? -38.789 -14.574 -33.529 1.00 16.77 ? 93  ARG B O   1 
ATOM   761  C CB  . ARG A 1 87  ? -36.387 -14.993 -35.466 1.00 17.01 ? 93  ARG B CB  1 
ATOM   762  C CG  . ARG A 1 87  ? -34.909 -15.218 -35.784 1.00 16.23 ? 93  ARG B CG  1 
ATOM   763  C CD  . ARG A 1 87  ? -33.979 -15.020 -34.601 1.00 16.39 ? 93  ARG B CD  1 
ATOM   764  N NE  . ARG A 1 87  ? -32.597 -15.425 -34.981 1.00 17.08 ? 93  ARG B NE  1 
ATOM   765  C CZ  . ARG A 1 87  ? -31.689 -14.677 -35.595 1.00 17.32 ? 93  ARG B CZ  1 
ATOM   766  N NH1 . ARG A 1 87  ? -31.954 -13.427 -35.929 1.00 17.52 ? 93  ARG B NH1 1 
ATOM   767  N NH2 . ARG A 1 87  ? -30.521 -15.201 -35.902 1.00 19.38 ? 93  ARG B NH2 1 
ATOM   768  N N   . LYS A 1 88  ? -39.258 -16.416 -34.761 1.00 16.69 ? 94  LYS B N   1 
ATOM   769  C CA  . LYS A 1 88  ? -40.705 -16.129 -34.883 1.00 17.10 ? 94  LYS B CA  1 
ATOM   770  C C   . LYS A 1 88  ? -41.513 -17.038 -33.969 1.00 18.64 ? 94  LYS B C   1 
ATOM   771  O O   . LYS A 1 88  ? -41.162 -18.241 -33.844 1.00 21.47 ? 94  LYS B O   1 
ATOM   772  C CB  . LYS A 1 88  ? -41.182 -16.341 -36.316 1.00 18.41 ? 94  LYS B CB  1 
ATOM   773  C CG  . LYS A 1 88  ? -40.400 -15.573 -37.346 1.00 19.20 ? 94  LYS B CG  1 
ATOM   774  C CD  . LYS A 1 88  ? -40.304 -14.062 -37.091 1.00 19.34 ? 94  LYS B CD  1 
ATOM   775  C CE  . LYS A 1 88  ? -39.600 -13.399 -38.242 1.00 19.23 ? 94  LYS B CE  1 
ATOM   776  N NZ  . LYS A 1 88  ? -39.423 -11.936 -38.072 1.00 21.35 ? 94  LYS B NZ  1 
ATOM   777  N N   . GLY A 1 89  ? -42.553 -16.507 -33.365 1.00 18.92 ? 95  GLY B N   1 
ATOM   778  C CA  . GLY A 1 89  ? -43.447 -17.301 -32.524 1.00 19.98 ? 95  GLY B CA  1 
ATOM   779  C C   . GLY A 1 89  ? -42.947 -17.481 -31.114 1.00 20.83 ? 95  GLY B C   1 
ATOM   780  O O   . GLY A 1 89  ? -41.966 -16.778 -30.691 1.00 19.79 ? 95  GLY B O   1 
ATOM   781  N N   . GLN A 1 90  ? -43.604 -18.371 -30.385 1.00 21.17 ? 96  GLN B N   1 
ATOM   782  C CA  . GLN A 1 90  ? -43.312 -18.605 -28.960 1.00 23.20 ? 96  GLN B CA  1 
ATOM   783  C C   . GLN A 1 90  ? -42.240 -19.684 -28.809 1.00 21.25 ? 96  GLN B C   1 
ATOM   784  O O   . GLN A 1 90  ? -42.181 -20.621 -29.619 1.00 22.88 ? 96  GLN B O   1 
ATOM   785  C CB  . GLN A 1 90  ? -44.587 -19.044 -28.220 1.00 28.42 ? 96  GLN B CB  1 
ATOM   786  C CG  . GLN A 1 90  ? -45.611 -17.943 -28.056 1.00 34.32 ? 96  GLN B CG  1 
ATOM   787  C CD  . GLN A 1 90  ? -46.848 -18.505 -27.412 1.00 45.61 ? 96  GLN B CD  1 
ATOM   788  O OE1 . GLN A 1 90  ? -47.153 -18.215 -26.257 1.00 55.53 ? 96  GLN B OE1 1 
ATOM   789  N NE2 . GLN A 1 90  ? -47.525 -19.374 -28.148 1.00 52.85 ? 96  GLN B NE2 1 
ATOM   790  N N   . PHE A 1 91  ? -41.332 -19.497 -27.850 1.00 18.44 ? 97  PHE B N   1 
ATOM   791  C CA  . PHE A 1 91  ? -40.285 -20.485 -27.505 1.00 18.92 ? 97  PHE B CA  1 
ATOM   792  C C   . PHE A 1 91  ? -39.783 -20.201 -26.089 1.00 18.29 ? 97  PHE B C   1 
ATOM   793  O O   . PHE A 1 91  ? -39.930 -19.094 -25.564 1.00 19.58 ? 97  PHE B O   1 
ATOM   794  C CB  . PHE A 1 91  ? -39.136 -20.425 -28.518 1.00 18.55 ? 97  PHE B CB  1 
ATOM   795  C CG  . PHE A 1 91  ? -38.507 -19.067 -28.662 1.00 18.55 ? 97  PHE B CG  1 
ATOM   796  C CD1 . PHE A 1 91  ? -37.523 -18.655 -27.776 1.00 19.40 ? 97  PHE B CD1 1 
ATOM   797  C CD2 . PHE A 1 91  ? -38.894 -18.213 -29.680 1.00 19.42 ? 97  PHE B CD2 1 
ATOM   798  C CE1 . PHE A 1 91  ? -36.920 -17.417 -27.922 1.00 16.94 ? 97  PHE B CE1 1 
ATOM   799  C CE2 . PHE A 1 91  ? -38.272 -16.979 -29.840 1.00 18.32 ? 97  PHE B CE2 1 
ATOM   800  C CZ  . PHE A 1 91  ? -37.285 -16.592 -28.960 1.00 17.92 ? 97  PHE B CZ  1 
ATOM   801  N N   A SER A 1 92  ? -39.210 -21.211 -25.440 0.24 18.86 ? 98  SER B N   1 
ATOM   802  N N   B SER A 1 92  ? -39.187 -21.231 -25.486 0.26 18.15 ? 98  SER B N   1 
ATOM   803  C CA  A SER A 1 92  ? -38.581 -21.051 -24.109 0.24 19.93 ? 98  SER B CA  1 
ATOM   804  C CA  B SER A 1 92  ? -38.536 -21.178 -24.157 0.26 18.82 ? 98  SER B CA  1 
ATOM   805  C C   A SER A 1 92  ? -37.071 -20.868 -24.278 0.24 18.27 ? 98  SER B C   1 
ATOM   806  C C   B SER A 1 92  ? -37.047 -20.852 -24.318 0.26 17.60 ? 98  SER B C   1 
ATOM   807  O O   A SER A 1 92  ? -36.484 -21.417 -25.235 0.24 18.35 ? 98  SER B O   1 
ATOM   808  O O   B SER A 1 92  ? -36.445 -21.281 -25.335 0.26 17.81 ? 98  SER B O   1 
ATOM   809  C CB  A SER A 1 92  ? -38.880 -22.213 -23.220 0.24 22.80 ? 98  SER B CB  1 
ATOM   810  C CB  B SER A 1 92  ? -38.726 -22.479 -23.427 0.26 20.25 ? 98  SER B CB  1 
ATOM   811  O OG  A SER A 1 92  ? -38.635 -23.416 -23.923 0.24 25.50 ? 98  SER B OG  1 
ATOM   812  O OG  B SER A 1 92  ? -40.104 -22.679 -23.139 0.26 21.52 ? 98  SER B OG  1 
ATOM   813  N N   . LEU A 1 93  ? -36.479 -20.114 -23.363 1.00 17.05 ? 99  LEU B N   1 
ATOM   814  C CA  . LEU A 1 93  ? -35.018 -19.913 -23.315 1.00 16.83 ? 99  LEU B CA  1 
ATOM   815  C C   . LEU A 1 93  ? -34.406 -21.128 -22.636 1.00 16.82 ? 99  LEU B C   1 
ATOM   816  O O   . LEU A 1 93  ? -34.493 -21.282 -21.413 1.00 18.51 ? 99  LEU B O   1 
ATOM   817  C CB  . LEU A 1 93  ? -34.652 -18.632 -22.579 1.00 18.08 ? 99  LEU B CB  1 
ATOM   818  C CG  . LEU A 1 93  ? -35.100 -17.332 -23.226 1.00 18.62 ? 99  LEU B CG  1 
ATOM   819  C CD1 . LEU A 1 93  ? -34.733 -16.158 -22.340 1.00 18.69 ? 99  LEU B CD1 1 
ATOM   820  C CD2 . LEU A 1 93  ? -34.557 -17.142 -24.640 1.00 19.26 ? 99  LEU B CD2 1 
ATOM   821  N N   . SER A 1 94  ? -33.770 -22.039 -23.380 1.00 15.95 ? 100 SER B N   1 
ATOM   822  C CA  . SER A 1 94  ? -33.193 -23.284 -22.823 1.00 16.99 ? 100 SER B CA  1 
ATOM   823  C C   . SER A 1 94  ? -32.006 -23.640 -23.685 1.00 13.87 ? 100 SER B C   1 
ATOM   824  O O   . SER A 1 94  ? -31.997 -23.302 -24.867 1.00 13.79 ? 100 SER B O   1 
ATOM   825  C CB  . SER A 1 94  ? -34.156 -24.458 -22.805 1.00 17.04 ? 100 SER B CB  1 
ATOM   826  O OG  . SER A 1 94  ? -34.510 -24.793 -24.132 1.00 20.39 ? 100 SER B OG  1 
ATOM   827  N N   . PRO A 1 95  ? -31.044 -24.402 -23.176 1.00 13.96 ? 101 PRO B N   1 
ATOM   828  C CA  . PRO A 1 95  ? -29.947 -24.899 -24.009 1.00 15.87 ? 101 PRO B CA  1 
ATOM   829  C C   . PRO A 1 95  ? -30.432 -25.781 -25.167 1.00 14.36 ? 101 PRO B C   1 
ATOM   830  O O   . PRO A 1 95  ? -29.872 -25.680 -26.281 1.00 15.42 ? 101 PRO B O   1 
ATOM   831  C CB  . PRO A 1 95  ? -29.047 -25.646 -23.019 1.00 17.29 ? 101 PRO B CB  1 
ATOM   832  C CG  . PRO A 1 95  ? -29.335 -24.938 -21.684 1.00 16.68 ? 101 PRO B CG  1 
ATOM   833  C CD  . PRO A 1 95  ? -30.822 -24.656 -21.744 1.00 15.43 ? 101 PRO B CD  1 
ATOM   834  N N   . GLU A 1 96  ? -31.516 -26.529 -24.956 1.00 16.09 ? 102 GLU B N   1 
ATOM   835  C CA  . GLU A 1 96  ? -32.104 -27.386 -26.033 1.00 19.96 ? 102 GLU B CA  1 
ATOM   836  C C   . GLU A 1 96  ? -32.527 -26.505 -27.211 1.00 18.83 ? 102 GLU B C   1 
ATOM   837  O O   . GLU A 1 96  ? -32.420 -26.916 -28.398 1.00 20.18 ? 102 GLU B O   1 
ATOM   838  C CB  . GLU A 1 96  ? -33.285 -28.226 -25.532 1.00 25.27 ? 102 GLU B CB  1 
ATOM   839  C CG  . GLU A 1 96  ? -32.959 -28.977 -24.269 1.00 35.47 ? 102 GLU B CG  1 
ATOM   840  C CD  . GLU A 1 96  ? -33.369 -28.284 -22.975 1.00 40.08 ? 102 GLU B CD  1 
ATOM   841  O OE1 . GLU A 1 96  ? -32.499 -27.610 -22.302 1.00 27.06 ? 102 GLU B OE1 1 
ATOM   842  O OE2 . GLU A 1 96  ? -34.565 -28.474 -22.607 1.00 54.28 ? 102 GLU B OE2 1 
ATOM   843  N N   . ASN A 1 97  ? -32.988 -25.290 -26.953 1.00 17.19 ? 103 ASN B N   1 
ATOM   844  C CA  . ASN A 1 97  ? -33.379 -24.342 -28.025 1.00 15.95 ? 103 ASN B CA  1 
ATOM   845  C C   . ASN A 1 97  ? -32.219 -23.426 -28.429 1.00 16.21 ? 103 ASN B C   1 
ATOM   846  O O   . ASN A 1 97  ? -32.441 -22.553 -29.302 1.00 16.77 ? 103 ASN B O   1 
ATOM   847  C CB  . ASN A 1 97  ? -34.584 -23.488 -27.592 1.00 17.72 ? 103 ASN B CB  1 
ATOM   848  C CG  . ASN A 1 97  ? -35.885 -24.261 -27.557 1.00 21.06 ? 103 ASN B CG  1 
ATOM   849  O OD1 . ASN A 1 97  ? -35.985 -25.314 -28.208 1.00 22.43 ? 103 ASN B OD1 1 
ATOM   850  N ND2 . ASN A 1 97  ? -36.850 -23.797 -26.747 1.00 22.27 ? 103 ASN B ND2 1 
ATOM   851  N N   . GLY A 1 98  ? -30.989 -23.615 -27.932 1.00 14.05 ? 104 GLY B N   1 
ATOM   852  C CA  . GLY A 1 98  ? -29.845 -22.795 -28.341 1.00 13.53 ? 104 GLY B CA  1 
ATOM   853  C C   . GLY A 1 98  ? -29.611 -21.510 -27.562 1.00 13.37 ? 104 GLY B C   1 
ATOM   854  O O   . GLY A 1 98  ? -28.920 -20.612 -28.082 1.00 13.14 ? 104 GLY B O   1 
ATOM   855  N N   . PHE A 1 99  ? -30.037 -21.452 -26.291 1.00 13.57 ? 105 PHE B N   1 
ATOM   856  C CA  . PHE A 1 99  ? -29.836 -20.250 -25.444 1.00 13.13 ? 105 PHE B CA  1 
ATOM   857  C C   . PHE A 1 99  ? -29.161 -20.619 -24.117 1.00 12.17 ? 105 PHE B C   1 
ATOM   858  O O   . PHE A 1 99  ? -29.592 -21.614 -23.486 1.00 14.21 ? 105 PHE B O   1 
ATOM   859  C CB  . PHE A 1 99  ? -31.187 -19.594 -25.083 1.00 13.47 ? 105 PHE B CB  1 
ATOM   860  C CG  . PHE A 1 99  ? -31.999 -19.101 -26.267 1.00 13.22 ? 105 PHE B CG  1 
ATOM   861  C CD1 . PHE A 1 99  ? -32.907 -19.928 -26.897 1.00 13.86 ? 105 PHE B CD1 1 
ATOM   862  C CD2 . PHE A 1 99  ? -31.871 -17.793 -26.711 1.00 13.32 ? 105 PHE B CD2 1 
ATOM   863  C CE1 . PHE A 1 99  ? -33.607 -19.482 -28.007 1.00 14.85 ? 105 PHE B CE1 1 
ATOM   864  C CE2 . PHE A 1 99  ? -32.601 -17.341 -27.800 1.00 14.00 ? 105 PHE B CE2 1 
ATOM   865  C CZ  . PHE A 1 99  ? -33.500 -18.161 -28.396 1.00 14.05 ? 105 PHE B CZ  1 
ATOM   866  N N   . TRP A 1 100 ? -28.197 -19.796 -23.695 1.00 11.74 ? 106 TRP B N   1 
ATOM   867  C CA  . TRP A 1 100 ? -27.499 -19.890 -22.379 1.00 11.33 ? 106 TRP B CA  1 
ATOM   868  C C   . TRP A 1 100 ? -27.678 -18.525 -21.707 1.00 11.04 ? 106 TRP B C   1 
ATOM   869  O O   . TRP A 1 100 ? -26.917 -17.580 -22.043 1.00 11.95 ? 106 TRP B O   1 
ATOM   870  C CB  . TRP A 1 100 ? -26.038 -20.345 -22.567 1.00 11.73 ? 106 TRP B CB  1 
ATOM   871  C CG  . TRP A 1 100 ? -25.988 -21.732 -23.165 1.00 11.84 ? 106 TRP B CG  1 
ATOM   872  C CD1 . TRP A 1 100 ? -25.895 -22.935 -22.516 1.00 13.48 ? 106 TRP B CD1 1 
ATOM   873  C CD2 . TRP A 1 100 ? -26.008 -22.044 -24.588 1.00 11.96 ? 106 TRP B CD2 1 
ATOM   874  N NE1 . TRP A 1 100 ? -25.892 -23.972 -23.434 1.00 13.57 ? 106 TRP B NE1 1 
ATOM   875  C CE2 . TRP A 1 100 ? -25.975 -23.454 -24.696 1.00 13.51 ? 106 TRP B CE2 1 
ATOM   876  C CE3 . TRP A 1 100 ? -26.060 -21.265 -25.743 1.00 12.61 ? 106 TRP B CE3 1 
ATOM   877  C CZ2 . TRP A 1 100 ? -26.026 -24.097 -25.931 1.00 13.73 ? 106 TRP B CZ2 1 
ATOM   878  C CZ3 . TRP A 1 100 ? -26.104 -21.920 -26.965 1.00 14.28 ? 106 TRP B CZ3 1 
ATOM   879  C CH2 . TRP A 1 100 ? -26.100 -23.302 -27.047 1.00 14.31 ? 106 TRP B CH2 1 
ATOM   880  N N   . THR A 1 101 ? -28.663 -18.455 -20.804 1.00 12.55 ? 107 THR B N   1 
ATOM   881  C CA  . THR A 1 101 ? -29.188 -17.144 -20.363 1.00 11.71 ? 107 THR B CA  1 
ATOM   882  C C   . THR A 1 101 ? -29.480 -17.185 -18.846 1.00 11.58 ? 107 THR B C   1 
ATOM   883  O O   . THR A 1 101 ? -29.739 -18.256 -18.314 1.00 11.81 ? 107 THR B O   1 
ATOM   884  C CB  . THR A 1 101 ? -30.445 -16.700 -21.093 1.00 12.36 ? 107 THR B CB  1 
ATOM   885  O OG1 . THR A 1 101 ? -31.495 -17.624 -20.890 1.00 12.82 ? 107 THR B OG1 1 
ATOM   886  C CG2 . THR A 1 101 ? -30.191 -16.526 -22.578 1.00 12.19 ? 107 THR B CG2 1 
ATOM   887  N N   . ILE A 1 102 ? -29.555 -16.007 -18.259 1.00 12.15 ? 108 ILE B N   1 
ATOM   888  C CA  . ILE A 1 102 ? -30.170 -15.777 -16.924 1.00 11.60 ? 108 ILE B CA  1 
ATOM   889  C C   . ILE A 1 102 ? -31.189 -14.646 -17.118 1.00 12.07 ? 108 ILE B C   1 
ATOM   890  O O   . ILE A 1 102 ? -31.121 -13.911 -18.131 1.00 12.53 ? 108 ILE B O   1 
ATOM   891  C CB  . ILE A 1 102 ? -29.150 -15.463 -15.811 1.00 12.94 ? 108 ILE B CB  1 
ATOM   892  C CG1 . ILE A 1 102 ? -28.470 -14.111 -15.997 1.00 13.61 ? 108 ILE B CG1 1 
ATOM   893  C CG2 . ILE A 1 102 ? -28.141 -16.589 -15.698 1.00 14.12 ? 108 ILE B CG2 1 
ATOM   894  C CD1 . ILE A 1 102 ? -27.635 -13.645 -14.808 1.00 14.06 ? 108 ILE B CD1 1 
ATOM   895  N N   . TRP A 1 103 ? -32.032 -14.498 -16.112 1.00 11.88 ? 109 TRP B N   1 
ATOM   896  C CA  . TRP A 1 103 ? -33.063 -13.454 -16.179 1.00 12.04 ? 109 TRP B CA  1 
ATOM   897  C C   . TRP A 1 103 ? -33.486 -13.001 -14.813 1.00 13.18 ? 109 TRP B C   1 
ATOM   898  O O   . TRP A 1 103 ? -33.314 -13.683 -13.809 1.00 14.06 ? 109 TRP B O   1 
ATOM   899  C CB  . TRP A 1 103 ? -34.241 -13.862 -17.005 1.00 16.06 ? 109 TRP B CB  1 
ATOM   900  C CG  . TRP A 1 103 ? -35.065 -14.976 -16.480 1.00 19.15 ? 109 TRP B CG  1 
ATOM   901  C CD1 . TRP A 1 103 ? -35.953 -14.973 -15.438 1.00 18.24 ? 109 TRP B CD1 1 
ATOM   902  C CD2 . TRP A 1 103 ? -35.143 -16.259 -17.087 1.00 19.69 ? 109 TRP B CD2 1 
ATOM   903  N NE1 . TRP A 1 103 ? -36.616 -16.156 -15.378 1.00 23.20 ? 109 TRP B NE1 1 
ATOM   904  C CE2 . TRP A 1 103 ? -36.154 -16.967 -16.386 1.00 20.36 ? 109 TRP B CE2 1 
ATOM   905  C CE3 . TRP A 1 103 ? -34.543 -16.815 -18.222 1.00 21.38 ? 109 TRP B CE3 1 
ATOM   906  C CZ2 . TRP A 1 103 ? -36.516 -18.263 -16.741 1.00 22.73 ? 109 TRP B CZ2 1 
ATOM   907  C CZ3 . TRP A 1 103 ? -34.905 -18.089 -18.556 1.00 22.81 ? 109 TRP B CZ3 1 
ATOM   908  C CH2 . TRP A 1 103 ? -35.875 -18.790 -17.847 1.00 22.06 ? 109 TRP B CH2 1 
ATOM   909  N N   . LEU A 1 104 ? -34.142 -11.818 -14.860 1.00 12.70 ? 110 LEU B N   1 
ATOM   910  C CA  . LEU A 1 104 ? -34.892 -11.251 -13.717 1.00 13.63 ? 110 LEU B CA  1 
ATOM   911  C C   . LEU A 1 104 ? -36.358 -11.215 -14.108 1.00 13.54 ? 110 LEU B C   1 
ATOM   912  O O   . LEU A 1 104 ? -36.668 -10.764 -15.221 1.00 13.31 ? 110 LEU B O   1 
ATOM   913  C CB  . LEU A 1 104 ? -34.424 -9.849  -13.380 1.00 13.92 ? 110 LEU B CB  1 
ATOM   914  C CG  . LEU A 1 104 ? -35.247 -9.063  -12.352 1.00 13.83 ? 110 LEU B CG  1 
ATOM   915  C CD1 . LEU A 1 104 ? -35.229 -9.702  -10.975 1.00 14.76 ? 110 LEU B CD1 1 
ATOM   916  C CD2 . LEU A 1 104 ? -34.775 -7.617  -12.261 1.00 15.68 ? 110 LEU B CD2 1 
ATOM   917  N N   . TRP A 1 105 ? -37.242 -11.689 -13.230 1.00 14.43 ? 111 TRP B N   1 
ATOM   918  C CA  . TRP A 1 105 ? -38.693 -11.679 -13.456 1.00 15.75 ? 111 TRP B CA  1 
ATOM   919  C C   . TRP A 1 105 ? -39.380 -11.700 -12.099 1.00 17.25 ? 111 TRP B C   1 
ATOM   920  O O   . TRP A 1 105 ? -39.072 -12.595 -11.316 1.00 16.58 ? 111 TRP B O   1 
ATOM   921  C CB  . TRP A 1 105 ? -39.073 -12.906 -14.275 1.00 19.27 ? 111 TRP B CB  1 
ATOM   922  C CG  . TRP A 1 105 ? -40.527 -13.091 -14.445 1.00 23.62 ? 111 TRP B CG  1 
ATOM   923  C CD1 . TRP A 1 105 ? -41.342 -14.027 -13.858 1.00 24.07 ? 111 TRP B CD1 1 
ATOM   924  C CD2 . TRP A 1 105 ? -41.338 -12.256 -15.256 1.00 23.83 ? 111 TRP B CD2 1 
ATOM   925  N NE1 . TRP A 1 105 ? -42.611 -13.845 -14.304 1.00 26.30 ? 111 TRP B NE1 1 
ATOM   926  C CE2 . TRP A 1 105 ? -42.646 -12.785 -15.154 1.00 23.22 ? 111 TRP B CE2 1 
ATOM   927  C CE3 . TRP A 1 105 ? -41.099 -11.160 -16.073 1.00 23.46 ? 111 TRP B CE3 1 
ATOM   928  C CZ2 . TRP A 1 105 ? -43.709 -12.238 -15.847 1.00 30.12 ? 111 TRP B CZ2 1 
ATOM   929  C CZ3 . TRP A 1 105 ? -42.166 -10.594 -16.732 1.00 30.47 ? 111 TRP B CZ3 1 
ATOM   930  C CH2 . TRP A 1 105 ? -43.453 -11.117 -16.595 1.00 29.20 ? 111 TRP B CH2 1 
ATOM   931  N N   . GLN A 1 106 ? -40.262 -10.718 -11.845 1.00 16.68 ? 112 GLN B N   1 
ATOM   932  C CA  . GLN A 1 106 ? -41.065 -10.715 -10.581 1.00 17.17 ? 112 GLN B CA  1 
ATOM   933  C C   . GLN A 1 106 ? -40.201 -10.910 -9.357  1.00 18.81 ? 112 GLN B C   1 
ATOM   934  O O   . GLN A 1 106 ? -40.563 -11.770 -8.463  1.00 20.70 ? 112 GLN B O   1 
ATOM   935  C CB  . GLN A 1 106 ? -42.208 -11.719 -10.728 1.00 19.42 ? 112 GLN B CB  1 
ATOM   936  C CG  . GLN A 1 106 ? -43.149 -11.354 -11.861 1.00 19.99 ? 112 GLN B CG  1 
ATOM   937  C CD  . GLN A 1 106 ? -44.432 -12.138 -11.929 1.00 23.02 ? 112 GLN B CD  1 
ATOM   938  O OE1 . GLN A 1 106 ? -45.374 -11.766 -12.654 1.00 23.78 ? 112 GLN B OE1 1 
ATOM   939  N NE2 . GLN A 1 106 ? -44.475 -13.222 -11.181 1.00 20.22 ? 112 GLN B NE2 1 
ATOM   940  N N   . ASP A 1 107 ? -39.154 -10.116 -9.236  1.00 18.21 ? 113 ASP B N   1 
ATOM   941  C CA  . ASP A 1 107 ? -38.334 -10.079 -8.010  1.00 24.81 ? 113 ASP B CA  1 
ATOM   942  C C   . ASP A 1 107 ? -37.556 -11.387 -7.781  1.00 24.71 ? 113 ASP B C   1 
ATOM   943  O O   . ASP A 1 107 ? -37.052 -11.581 -6.650  1.00 30.65 ? 113 ASP B O   1 
ATOM   944  C CB  . ASP A 1 107 ? -39.267 -9.875  -6.815  1.00 30.52 ? 113 ASP B CB  1 
ATOM   945  C CG  . ASP A 1 107 ? -38.728 -8.992  -5.726  1.00 41.48 ? 113 ASP B CG  1 
ATOM   946  O OD1 . ASP A 1 107 ? -37.708 -8.295  -5.971  1.00 49.02 ? 113 ASP B OD1 1 
ATOM   947  O OD2 . ASP A 1 107 ? -39.365 -8.996  -4.630  1.00 58.57 ? 113 ASP B OD2 1 
ATOM   948  N N   . SER A 1 108 ? -37.458 -12.289 -8.744  1.00 19.51 ? 114 SER B N   1 
ATOM   949  C CA  . SER A 1 108 ? -36.537 -13.453 -8.606  1.00 20.63 ? 114 SER B CA  1 
ATOM   950  C C   . SER A 1 108 ? -35.587 -13.533 -9.810  1.00 17.67 ? 114 SER B C   1 
ATOM   951  O O   . SER A 1 108 ? -35.980 -13.208 -10.996 1.00 16.99 ? 114 SER B O   1 
ATOM   952  C CB  . SER A 1 108 ? -37.324 -14.692 -8.359  1.00 27.85 ? 114 SER B CB  1 
ATOM   953  O OG  . SER A 1 108 ? -37.875 -15.171 -9.550  1.00 36.86 ? 114 SER B OG  1 
ATOM   954  N N   . TYR A 1 109 ? -34.375 -14.001 -9.557  1.00 15.90 ? 115 TYR B N   1 
ATOM   955  C CA  . TYR A 1 109 ? -33.363 -14.255 -10.614 1.00 14.09 ? 115 TYR B CA  1 
ATOM   956  C C   . TYR A 1 109 ? -33.320 -15.756 -10.878 1.00 14.34 ? 115 TYR B C   1 
ATOM   957  O O   . TYR A 1 109 ? -33.319 -16.533 -9.938  1.00 15.37 ? 115 TYR B O   1 
ATOM   958  C CB  . TYR A 1 109 ? -32.014 -13.728 -10.171 1.00 13.73 ? 115 TYR B CB  1 
ATOM   959  C CG  . TYR A 1 109 ? -31.983 -12.228 -9.952  1.00 15.16 ? 115 TYR B CG  1 
ATOM   960  C CD1 . TYR A 1 109 ? -32.198 -11.682 -8.695  1.00 16.00 ? 115 TYR B CD1 1 
ATOM   961  C CD2 . TYR A 1 109 ? -31.589 -11.369 -10.952 1.00 15.18 ? 115 TYR B CD2 1 
ATOM   962  C CE1 . TYR A 1 109 ? -32.128 -10.312 -8.474  1.00 16.89 ? 115 TYR B CE1 1 
ATOM   963  C CE2 . TYR A 1 109 ? -31.560 -9.996  -10.760 1.00 15.23 ? 115 TYR B CE2 1 
ATOM   964  C CZ  . TYR A 1 109 ? -31.767 -9.463  -9.493  1.00 16.36 ? 115 TYR B CZ  1 
ATOM   965  O OH  . TYR A 1 109 ? -31.787 -8.111  -9.268  1.00 17.31 ? 115 TYR B OH  1 
ATOM   966  N N   A GLU A 1 110 ? -33.313 -16.158 -12.153 0.25 15.07 ? 116 GLU B N   1 
ATOM   967  N N   B GLU A 1 110 ? -33.338 -16.141 -12.159 0.25 14.31 ? 116 GLU B N   1 
ATOM   968  C CA  A GLU A 1 110 ? -33.300 -17.595 -12.528 0.25 15.60 ? 116 GLU B CA  1 
ATOM   969  C CA  B GLU A 1 110 ? -33.343 -17.560 -12.594 0.25 14.38 ? 116 GLU B CA  1 
ATOM   970  C C   A GLU A 1 110 ? -32.405 -17.832 -13.745 0.25 13.88 ? 116 GLU B C   1 
ATOM   971  C C   B GLU A 1 110 ? -32.275 -17.768 -13.677 0.25 13.07 ? 116 GLU B C   1 
ATOM   972  O O   A GLU A 1 110 ? -32.362 -16.983 -14.639 0.25 13.86 ? 116 GLU B O   1 
ATOM   973  O O   B GLU A 1 110 ? -31.909 -16.798 -14.370 0.25 12.47 ? 116 GLU B O   1 
ATOM   974  C CB  A GLU A 1 110 ? -34.704 -18.104 -12.834 0.25 17.56 ? 116 GLU B CB  1 
ATOM   975  C CB  B GLU A 1 110 ? -34.716 -17.967 -13.131 0.25 15.19 ? 116 GLU B CB  1 
ATOM   976  C CG  A GLU A 1 110 ? -35.614 -18.048 -11.616 0.25 20.02 ? 116 GLU B CG  1 
ATOM   977  C CG  B GLU A 1 110 ? -35.848 -17.771 -12.128 0.25 17.23 ? 116 GLU B CG  1 
ATOM   978  C CD  A GLU A 1 110 ? -37.046 -18.426 -11.919 0.25 23.44 ? 116 GLU B CD  1 
ATOM   979  C CD  B GLU A 1 110 ? -35.976 -18.905 -11.126 0.25 18.17 ? 116 GLU B CD  1 
ATOM   980  O OE1 A GLU A 1 110 ? -37.499 -18.157 -13.048 0.25 25.74 ? 116 GLU B OE1 1 
ATOM   981  O OE1 B GLU A 1 110 ? -35.599 -20.045 -11.454 0.25 21.02 ? 116 GLU B OE1 1 
ATOM   982  O OE2 A GLU A 1 110 ? -37.697 -19.000 -11.031 0.25 23.62 ? 116 GLU B OE2 1 
ATOM   983  O OE2 B GLU A 1 110 ? -36.489 -18.650 -10.040 0.25 23.24 ? 116 GLU B OE2 1 
ATOM   984  N N   . ALA A 1 111 ? -31.753 -18.996 -13.773 1.00 13.84 ? 117 ALA B N   1 
ATOM   985  C CA  . ALA A 1 111 ? -30.989 -19.453 -14.952 1.00 13.93 ? 117 ALA B CA  1 
ATOM   986  C C   . ALA A 1 111 ? -31.919 -20.202 -15.886 1.00 12.73 ? 117 ALA B C   1 
ATOM   987  O O   . ALA A 1 111 ? -32.776 -21.010 -15.469 1.00 13.79 ? 117 ALA B O   1 
ATOM   988  C CB  . ALA A 1 111 ? -29.815 -20.338 -14.559 1.00 13.75 ? 117 ALA B CB  1 
ATOM   989  N N   . GLY A 1 112 ? -31.725 -19.965 -17.194 1.00 13.42 ? 118 GLY B N   1 
ATOM   990  C CA  . GLY A 1 112 ? -32.555 -20.510 -18.286 1.00 14.21 ? 118 GLY B CA  1 
ATOM   991  C C   . GLY A 1 112 ? -32.198 -21.954 -18.583 1.00 14.95 ? 118 GLY B C   1 
ATOM   992  O O   . GLY A 1 112 ? -31.944 -22.306 -19.717 1.00 16.68 ? 118 GLY B O   1 
ATOM   993  N N   . THR A 1 113 ? -32.215 -22.810 -17.594 1.00 16.78 ? 119 THR B N   1 
ATOM   994  C CA  . THR A 1 113 ? -32.186 -24.271 -17.774 1.00 18.88 ? 119 THR B CA  1 
ATOM   995  C C   . THR A 1 113 ? -33.618 -24.739 -18.013 1.00 17.58 ? 119 THR B C   1 
ATOM   996  O O   . THR A 1 113 ? -34.541 -23.938 -17.868 1.00 20.43 ? 119 THR B O   1 
ATOM   997  C CB  . THR A 1 113 ? -31.551 -24.892 -16.542 1.00 16.35 ? 119 THR B CB  1 
ATOM   998  O OG1 . THR A 1 113 ? -32.258 -24.443 -15.376 1.00 16.17 ? 119 THR B OG1 1 
ATOM   999  C CG2 . THR A 1 113 ? -30.095 -24.588 -16.380 1.00 18.49 ? 119 THR B CG2 1 
ATOM   1000 N N   . SER A 1 114 ? -33.824 -26.012 -18.357 1.00 21.44 ? 120 SER B N   1 
ATOM   1001 C CA  . SER A 1 114 ? -35.186 -26.566 -18.504 1.00 24.17 ? 120 SER B CA  1 
ATOM   1002 C C   . SER A 1 114 ? -35.372 -27.750 -17.547 1.00 27.05 ? 120 SER B C   1 
ATOM   1003 O O   . SER A 1 114 ? -34.752 -28.799 -17.711 1.00 29.46 ? 120 SER B O   1 
ATOM   1004 C CB  . SER A 1 114 ? -35.437 -26.951 -19.948 1.00 30.36 ? 120 SER B CB  1 
ATOM   1005 O OG  . SER A 1 114 ? -36.794 -27.365 -20.102 1.00 36.46 ? 120 SER B OG  1 
ATOM   1006 N N   . PRO A 1 115 ? -36.129 -27.613 -16.445 1.00 25.79 ? 121 PRO B N   1 
ATOM   1007 C CA  . PRO A 1 115 ? -36.781 -26.377 -16.046 1.00 25.63 ? 121 PRO B CA  1 
ATOM   1008 C C   . PRO A 1 115 ? -35.789 -25.396 -15.405 1.00 20.92 ? 121 PRO B C   1 
ATOM   1009 O O   . PRO A 1 115 ? -34.634 -25.711 -15.178 1.00 19.05 ? 121 PRO B O   1 
ATOM   1010 C CB  . PRO A 1 115 ? -37.775 -26.834 -14.985 1.00 29.34 ? 121 PRO B CB  1 
ATOM   1011 C CG  . PRO A 1 115 ? -37.027 -27.968 -14.301 1.00 27.82 ? 121 PRO B CG  1 
ATOM   1012 C CD  . PRO A 1 115 ? -36.297 -28.677 -15.430 1.00 27.78 ? 121 PRO B CD  1 
ATOM   1013 N N   . GLN A 1 116 ? -36.231 -24.172 -15.225 1.00 20.99 ? 122 GLN B N   1 
ATOM   1014 C CA  . GLN A 1 116 ? -35.351 -23.069 -14.799 1.00 20.07 ? 122 GLN B CA  1 
ATOM   1015 C C   . GLN A 1 116 ? -34.830 -23.291 -13.374 1.00 16.99 ? 122 GLN B C   1 
ATOM   1016 O O   . GLN A 1 116 ? -35.491 -23.972 -12.563 1.00 18.74 ? 122 GLN B O   1 
ATOM   1017 C CB  . GLN A 1 116 ? -36.063 -21.728 -14.921 1.00 23.73 ? 122 GLN B CB  1 
ATOM   1018 C CG  . GLN A 1 116 ? -37.121 -21.514 -13.870 1.00 31.38 ? 122 GLN B CG  1 
ATOM   1019 C CD  . GLN A 1 116 ? -38.485 -21.551 -14.505 1.00 42.29 ? 122 GLN B CD  1 
ATOM   1020 O OE1 . GLN A 1 116 ? -38.913 -22.556 -15.088 1.00 46.65 ? 122 GLN B OE1 1 
ATOM   1021 N NE2 . GLN A 1 116 ? -39.168 -20.434 -14.390 1.00 48.30 ? 122 GLN B NE2 1 
ATOM   1022 N N   . THR A 1 117 ? -33.654 -22.734 -13.109 1.00 15.29 ? 123 THR B N   1 
ATOM   1023 C CA  . THR A 1 117 ? -32.951 -22.883 -11.830 1.00 14.14 ? 123 THR B CA  1 
ATOM   1024 C C   . THR A 1 117 ? -33.017 -21.566 -11.056 1.00 14.99 ? 123 THR B C   1 
ATOM   1025 O O   . THR A 1 117 ? -32.492 -20.551 -11.550 1.00 15.53 ? 123 THR B O   1 
ATOM   1026 C CB  . THR A 1 117 ? -31.509 -23.365 -12.063 1.00 14.79 ? 123 THR B CB  1 
ATOM   1027 O OG1 . THR A 1 117 ? -31.589 -24.583 -12.791 1.00 16.96 ? 123 THR B OG1 1 
ATOM   1028 C CG2 . THR A 1 117 ? -30.773 -23.568 -10.767 1.00 15.73 ? 123 THR B CG2 1 
ATOM   1029 N N   . THR A 1 118 ? -33.396 -21.607 -9.773  1.00 15.10 ? 124 THR B N   1 
ATOM   1030 C CA  . THR A 1 118 ? -33.336 -20.470 -8.833  1.00 17.35 ? 124 THR B CA  1 
ATOM   1031 C C   . THR A 1 118 ? -31.915 -19.986 -8.605  1.00 15.59 ? 124 THR B C   1 
ATOM   1032 O O   . THR A 1 118 ? -31.017 -20.850 -8.315  1.00 17.26 ? 124 THR B O   1 
ATOM   1033 C CB  . THR A 1 118 ? -33.899 -20.952 -7.482  1.00 19.23 ? 124 THR B CB  1 
ATOM   1034 O OG1 . THR A 1 118 ? -35.268 -21.282 -7.723  1.00 21.96 ? 124 THR B OG1 1 
ATOM   1035 C CG2 . THR A 1 118 ? -33.669 -19.955 -6.380  1.00 22.58 ? 124 THR B CG2 1 
ATOM   1036 N N   . LEU A 1 119 ? -31.645 -18.692 -8.725  1.00 13.90 ? 125 LEU B N   1 
ATOM   1037 C CA  . LEU A 1 119 ? -30.331 -18.096 -8.421  1.00 13.89 ? 125 LEU B CA  1 
ATOM   1038 C C   . LEU A 1 119 ? -30.423 -17.518 -7.001  1.00 17.70 ? 125 LEU B C   1 
ATOM   1039 O O   . LEU A 1 119 ? -31.517 -17.109 -6.589  1.00 23.88 ? 125 LEU B O   1 
ATOM   1040 C CB  . LEU A 1 119 ? -29.933 -17.058 -9.470  1.00 14.93 ? 125 LEU B CB  1 
ATOM   1041 C CG  . LEU A 1 119 ? -29.871 -17.612 -10.902 1.00 13.27 ? 125 LEU B CG  1 
ATOM   1042 C CD1 . LEU A 1 119 ? -29.628 -16.501 -11.893 1.00 14.34 ? 125 LEU B CD1 1 
ATOM   1043 C CD2 . LEU A 1 119 ? -28.776 -18.667 -11.037 1.00 14.45 ? 125 LEU B CD2 1 
ATOM   1044 N N   . HIS A 1 120 ? -29.309 -17.440 -6.325  1.00 16.27 ? 126 HIS B N   1 
ATOM   1045 C CA  . HIS A 1 120 ? -29.227 -16.981 -4.914  1.00 15.61 ? 126 HIS B CA  1 
ATOM   1046 C C   . HIS A 1 120 ? -28.404 -15.709 -4.967  1.00 16.47 ? 126 HIS B C   1 
ATOM   1047 O O   . HIS A 1 120 ? -27.150 -15.758 -4.960  1.00 23.45 ? 126 HIS B O   1 
ATOM   1048 C CB  . HIS A 1 120 ? -28.578 -18.056 -4.034  1.00 17.91 ? 126 HIS B CB  1 
ATOM   1049 C CG  . HIS A 1 120 ? -29.330 -19.350 -4.004  1.00 17.73 ? 126 HIS B CG  1 
ATOM   1050 N ND1 . HIS A 1 120 ? -28.968 -20.423 -4.815  1.00 21.60 ? 126 HIS B ND1 1 
ATOM   1051 C CD2 . HIS A 1 120 ? -30.404 -19.749 -3.320  1.00 20.85 ? 126 HIS B CD2 1 
ATOM   1052 C CE1 . HIS A 1 120 ? -29.831 -21.389 -4.638  1.00 22.53 ? 126 HIS B CE1 1 
ATOM   1053 N NE2 . HIS A 1 120 ? -30.680 -21.042 -3.689  1.00 19.78 ? 126 HIS B NE2 1 
ATOM   1054 N N   . ILE A 1 121 ? -29.048 -14.563 -5.089  1.00 20.24 ? 127 ILE B N   1 
ATOM   1055 C CA  . ILE A 1 121 ? -28.344 -13.258 -5.217  1.00 21.73 ? 127 ILE B CA  1 
ATOM   1056 C C   . ILE A 1 121 ? -28.695 -12.409 -3.966  1.00 22.22 ? 127 ILE B C   1 
ATOM   1057 O O   . ILE A 1 121 ? -29.879 -12.179 -3.727  1.00 29.86 ? 127 ILE B O   1 
ATOM   1058 C CB  . ILE A 1 121 ? -28.773 -12.611 -6.552  1.00 23.17 ? 127 ILE B CB  1 
ATOM   1059 C CG1 . ILE A 1 121 ? -28.189 -13.403 -7.736  1.00 22.75 ? 127 ILE B CG1 1 
ATOM   1060 C CG2 . ILE A 1 121 ? -28.408 -11.136 -6.546  1.00 27.25 ? 127 ILE B CG2 1 
ATOM   1061 C CD1 . ILE A 1 121 ? -28.325 -12.763 -9.105  1.00 24.55 ? 127 ILE B CD1 1 
ATOM   1062 N N   . GLN A 1 122 ? -27.697 -12.052 -3.165  1.00 28.92 ? 128 GLN B N   1 
ATOM   1063 C CA  . GLN A 1 122 ? -27.925 -11.273 -1.913  1.00 31.70 ? 128 GLN B CA  1 
ATOM   1064 C C   . GLN A 1 122 ? -27.916 -9.773  -2.263  1.00 27.09 ? 128 GLN B C   1 
ATOM   1065 O O   . GLN A 1 122 ? -28.708 -9.003  -1.657  1.00 28.02 ? 128 GLN B O   1 
ATOM   1066 C CB  . GLN A 1 122 ? -26.885 -11.709 -0.870  1.00 38.13 ? 128 GLN B CB  1 
ATOM   1067 C CG  . GLN A 1 122 ? -26.802 -10.814 0.369   1.00 50.77 ? 128 GLN B CG  1 
ATOM   1068 C CD  . GLN A 1 122 ? -27.962 -10.925 1.336   1.00 56.06 ? 128 GLN B CD  1 
ATOM   1069 O OE1 . GLN A 1 122 ? -28.853 -11.762 1.199   1.00 61.98 ? 128 GLN B OE1 1 
ATOM   1070 N NE2 . GLN A 1 122 ? -27.967 -10.055 2.335   1.00 63.39 ? 128 GLN B NE2 1 
ATOM   1071 N N   . VAL A 1 123 ? -27.130 -9.392  -3.268  1.00 24.52 ? 129 VAL B N   1 
ATOM   1072 C CA  . VAL A 1 123 ? -26.976 -7.970  -3.700  1.00 21.67 ? 129 VAL B CA  1 
ATOM   1073 C C   . VAL A 1 123 ? -27.542 -7.797  -5.112  1.00 22.19 ? 129 VAL B C   1 
ATOM   1074 O O   . VAL A 1 123 ? -26.938 -8.275  -6.058  1.00 20.86 ? 129 VAL B O   1 
ATOM   1075 C CB  . VAL A 1 123 ? -25.503 -7.555  -3.632  1.00 23.95 ? 129 VAL B CB  1 
ATOM   1076 C CG1 . VAL A 1 123 ? -25.299 -6.133  -4.140  1.00 24.63 ? 129 VAL B CG1 1 
ATOM   1077 C CG2 . VAL A 1 123 ? -24.956 -7.701  -2.213  1.00 26.10 ? 129 VAL B CG2 1 
ATOM   1078 N N   . PRO A 1 124 ? -28.757 -7.223  -5.301  1.00 21.65 ? 130 PRO B N   1 
ATOM   1079 C CA  . PRO A 1 124 ? -29.332 -7.101  -6.642  1.00 20.50 ? 130 PRO B CA  1 
ATOM   1080 C C   . PRO A 1 124 ? -28.330 -6.428  -7.566  1.00 19.90 ? 130 PRO B C   1 
ATOM   1081 O O   . PRO A 1 124 ? -27.858 -5.347  -7.304  1.00 19.07 ? 130 PRO B O   1 
ATOM   1082 C CB  . PRO A 1 124 ? -30.592 -6.263  -6.378  1.00 24.39 ? 130 PRO B CB  1 
ATOM   1083 C CG  . PRO A 1 124 ? -30.980 -6.694  -4.954  1.00 24.66 ? 130 PRO B CG  1 
ATOM   1084 C CD  . PRO A 1 124 ? -29.668 -6.717  -4.246  1.00 24.20 ? 130 PRO B CD  1 
ATOM   1085 N N   . PRO A 1 125 ? -27.937 -7.042  -8.707  1.00 18.17 ? 131 PRO B N   1 
ATOM   1086 C CA  . PRO A 1 125 ? -26.923 -6.448  -9.565  1.00 17.09 ? 131 PRO B CA  1 
ATOM   1087 C C   . PRO A 1 125 ? -27.420 -5.229  -10.357 1.00 16.58 ? 131 PRO B C   1 
ATOM   1088 O O   . PRO A 1 125 ? -28.524 -5.290  -10.859 1.00 16.99 ? 131 PRO B O   1 
ATOM   1089 C CB  . PRO A 1 125 ? -26.519 -7.606  -10.506 1.00 18.37 ? 131 PRO B CB  1 
ATOM   1090 C CG  . PRO A 1 125 ? -27.674 -8.557  -10.463 1.00 19.05 ? 131 PRO B CG  1 
ATOM   1091 C CD  . PRO A 1 125 ? -28.289 -8.426  -9.086  1.00 17.79 ? 131 PRO B CD  1 
ATOM   1092 N N   . CYS A 1 126 ? -26.570 -4.220  -10.475 1.00 17.15 ? 132 CYS B N   1 
ATOM   1093 C CA  . CYS A 1 126 ? -26.771 -3.101  -11.431 1.00 18.86 ? 132 CYS B CA  1 
ATOM   1094 C C   . CYS A 1 126 ? -25.990 -3.381  -12.726 1.00 16.78 ? 132 CYS B C   1 
ATOM   1095 O O   . CYS A 1 126 ? -26.333 -2.816  -13.783 1.00 15.80 ? 132 CYS B O   1 
ATOM   1096 C CB  . CYS A 1 126 ? -26.339 -1.774  -10.838 1.00 21.86 ? 132 CYS B CB  1 
ATOM   1097 S SG  . CYS A 1 126 ? -27.420 -1.329  -9.448  1.00 29.01 ? 132 CYS B SG  1 
ATOM   1098 N N   A GLN A 1 127 ? -24.940 -4.215  -12.675 0.25 16.80 ? 133 GLN B N   1 
ATOM   1099 N N   B GLN A 1 127 ? -24.986 -4.261  -12.646 0.25 17.52 ? 133 GLN B N   1 
ATOM   1100 C CA  A GLN A 1 127 ? -24.185 -4.609  -13.896 0.25 17.03 ? 133 GLN B CA  1 
ATOM   1101 C CA  B GLN A 1 127 ? -24.141 -4.633  -13.804 0.25 18.40 ? 133 GLN B CA  1 
ATOM   1102 C C   A GLN A 1 127 ? -23.785 -6.083  -13.797 0.25 16.55 ? 133 GLN B C   1 
ATOM   1103 C C   B GLN A 1 127 ? -23.897 -6.145  -13.757 0.25 17.38 ? 133 GLN B C   1 
ATOM   1104 O O   A GLN A 1 127 ? -23.367 -6.529  -12.710 0.25 14.51 ? 133 GLN B O   1 
ATOM   1105 O O   B GLN A 1 127 ? -23.783 -6.714  -12.649 0.25 15.00 ? 133 GLN B O   1 
ATOM   1106 C CB  A GLN A 1 127 ? -22.918 -3.785  -14.144 0.25 18.59 ? 133 GLN B CB  1 
ATOM   1107 C CB  B GLN A 1 127 ? -22.831 -3.840  -13.818 0.25 21.27 ? 133 GLN B CB  1 
ATOM   1108 C CG  A GLN A 1 127 ? -23.166 -2.297  -14.338 0.25 19.97 ? 133 GLN B CG  1 
ATOM   1109 C CG  B GLN A 1 127 ? -23.015 -2.386  -14.226 0.25 23.78 ? 133 GLN B CG  1 
ATOM   1110 C CD  A GLN A 1 127 ? -23.119 -1.557  -13.027 0.25 21.65 ? 133 GLN B CD  1 
ATOM   1111 C CD  B GLN A 1 127 ? -21.713 -1.664  -14.469 0.25 25.72 ? 133 GLN B CD  1 
ATOM   1112 O OE1 A GLN A 1 127 ? -22.408 -1.946  -12.103 0.25 21.43 ? 133 GLN B OE1 1 
ATOM   1113 O OE1 B GLN A 1 127 ? -20.692 -2.250  -14.845 0.25 29.99 ? 133 GLN B OE1 1 
ATOM   1114 N NE2 A GLN A 1 127 ? -23.876 -0.471  -12.944 0.25 22.08 ? 133 GLN B NE2 1 
ATOM   1115 N NE2 B GLN A 1 127 ? -21.752 -0.362  -14.266 0.25 28.31 ? 133 GLN B NE2 1 
ATOM   1116 N N   . ILE A 1 128 ? -23.914 -6.771  -14.932 1.00 15.65 ? 134 ILE B N   1 
ATOM   1117 C CA  . ILE A 1 128 ? -23.738 -8.234  -15.066 1.00 16.19 ? 134 ILE B CA  1 
ATOM   1118 C C   . ILE A 1 128 ? -22.534 -8.412  -15.982 1.00 16.41 ? 134 ILE B C   1 
ATOM   1119 O O   . ILE A 1 128 ? -22.492 -7.829  -17.091 1.00 15.15 ? 134 ILE B O   1 
ATOM   1120 C CB  . ILE A 1 128 ? -24.983 -8.895  -15.654 1.00 15.73 ? 134 ILE B CB  1 
ATOM   1121 C CG1 . ILE A 1 128 ? -26.279 -8.703  -14.855 1.00 20.03 ? 134 ILE B CG1 1 
ATOM   1122 C CG2 . ILE A 1 128 ? -24.696 -10.370 -15.961 1.00 15.02 ? 134 ILE B CG2 1 
ATOM   1123 C CD1 . ILE A 1 128 ? -26.308 -9.406  -13.591 1.00 18.93 ? 134 ILE B CD1 1 
ATOM   1124 N N   . GLY A 1 129 ? -21.600 -9.279  -15.600 1.00 15.31 ? 135 GLY B N   1 
ATOM   1125 C CA  . GLY A 1 129 ? -20.511 -9.718  -16.476 1.00 15.71 ? 135 GLY B CA  1 
ATOM   1126 C C   . GLY A 1 129 ? -20.796 -11.100 -17.054 1.00 14.85 ? 135 GLY B C   1 
ATOM   1127 O O   . GLY A 1 129 ? -21.361 -11.941 -16.381 1.00 14.70 ? 135 GLY B O   1 
ATOM   1128 N N   . ILE A 1 130 ? -20.575 -11.252 -18.368 1.00 14.83 ? 136 ILE B N   1 
ATOM   1129 C CA  . ILE A 1 130 ? -20.816 -12.505 -19.107 1.00 15.31 ? 136 ILE B CA  1 
ATOM   1130 C C   . ILE A 1 130 ? -19.499 -12.980 -19.690 1.00 15.64 ? 136 ILE B C   1 
ATOM   1131 O O   . ILE A 1 130 ? -18.845 -12.220 -20.408 1.00 15.15 ? 136 ILE B O   1 
ATOM   1132 C CB  . ILE A 1 130 ? -21.874 -12.294 -20.198 1.00 17.21 ? 136 ILE B CB  1 
ATOM   1133 C CG1 . ILE A 1 130 ? -23.175 -11.786 -19.583 1.00 18.16 ? 136 ILE B CG1 1 
ATOM   1134 C CG2 . ILE A 1 130 ? -22.088 -13.560 -21.035 1.00 16.04 ? 136 ILE B CG2 1 
ATOM   1135 C CD1 . ILE A 1 130 ? -24.215 -11.365 -20.535 1.00 21.61 ? 136 ILE B CD1 1 
ATOM   1136 N N   . PHE A 1 131 ? -19.155 -14.216 -19.366 1.00 14.43 ? 137 PHE B N   1 
ATOM   1137 C CA  . PHE A 1 131 ? -17.891 -14.865 -19.800 1.00 14.85 ? 137 PHE B CA  1 
ATOM   1138 C C   . PHE A 1 131 ? -18.238 -16.120 -20.586 1.00 13.84 ? 137 PHE B C   1 
ATOM   1139 O O   . PHE A 1 131 ? -19.054 -16.956 -20.146 1.00 14.04 ? 137 PHE B O   1 
ATOM   1140 C CB  . PHE A 1 131 ? -17.028 -15.276 -18.611 1.00 15.75 ? 137 PHE B CB  1 
ATOM   1141 C CG  . PHE A 1 131 ? -15.777 -16.040 -18.989 1.00 16.29 ? 137 PHE B CG  1 
ATOM   1142 C CD1 . PHE A 1 131 ? -14.750 -15.397 -19.649 1.00 18.23 ? 137 PHE B CD1 1 
ATOM   1143 C CD2 . PHE A 1 131 ? -15.626 -17.382 -18.670 1.00 18.60 ? 137 PHE B CD2 1 
ATOM   1144 C CE1 . PHE A 1 131 ? -13.587 -16.090 -19.987 1.00 20.41 ? 137 PHE B CE1 1 
ATOM   1145 C CE2 . PHE A 1 131 ? -14.478 -18.079 -19.029 1.00 19.48 ? 137 PHE B CE2 1 
ATOM   1146 C CZ  . PHE A 1 131 ? -13.449 -17.418 -19.663 1.00 18.70 ? 137 PHE B CZ  1 
ATOM   1147 N N   . VAL A 1 132 ? -17.682 -16.234 -21.804 1.00 14.16 ? 138 VAL B N   1 
ATOM   1148 C CA  . VAL A 1 132 ? -17.845 -17.433 -22.660 1.00 14.65 ? 138 VAL B CA  1 
ATOM   1149 C C   . VAL A 1 132 ? -16.464 -18.028 -22.961 1.00 13.19 ? 138 VAL B C   1 
ATOM   1150 O O   . VAL A 1 132 ? -15.570 -17.304 -23.390 1.00 15.34 ? 138 VAL B O   1 
ATOM   1151 C CB  . VAL A 1 132 ? -18.575 -17.116 -23.975 1.00 14.89 ? 138 VAL B CB  1 
ATOM   1152 C CG1 . VAL A 1 132 ? -18.728 -18.373 -24.841 1.00 16.55 ? 138 VAL B CG1 1 
ATOM   1153 C CG2 . VAL A 1 132 ? -19.937 -16.463 -23.698 1.00 15.65 ? 138 VAL B CG2 1 
ATOM   1154 N N   . ASP A 1 133 ? -16.301 -19.303 -22.662 1.00 14.76 ? 139 ASP B N   1 
ATOM   1155 C CA  . ASP A 1 133 ? -15.114 -20.088 -23.121 1.00 16.07 ? 139 ASP B CA  1 
ATOM   1156 C C   . ASP A 1 133 ? -15.631 -21.114 -24.116 1.00 13.61 ? 139 ASP B C   1 
ATOM   1157 O O   . ASP A 1 133 ? -16.262 -22.104 -23.744 1.00 14.77 ? 139 ASP B O   1 
ATOM   1158 C CB  . ASP A 1 133 ? -14.350 -20.668 -21.945 1.00 15.21 ? 139 ASP B CB  1 
ATOM   1159 C CG  . ASP A 1 133 ? -13.082 -21.402 -22.354 1.00 18.94 ? 139 ASP B CG  1 
ATOM   1160 O OD1 . ASP A 1 133 ? -12.991 -21.848 -23.523 1.00 18.78 ? 139 ASP B OD1 1 
ATOM   1161 O OD2 . ASP A 1 133 ? -12.249 -21.568 -21.448 1.00 23.32 ? 139 ASP B OD2 1 
ATOM   1162 N N   . TYR A 1 134 ? -15.421 -20.823 -25.406 1.00 15.55 ? 140 TYR B N   1 
ATOM   1163 C CA  . TYR A 1 134 ? -16.005 -21.648 -26.480 1.00 14.90 ? 140 TYR B CA  1 
ATOM   1164 C C   . TYR A 1 134 ? -15.478 -23.093 -26.436 1.00 16.02 ? 140 TYR B C   1 
ATOM   1165 O O   . TYR A 1 134 ? -16.242 -24.032 -26.360 1.00 16.62 ? 140 TYR B O   1 
ATOM   1166 C CB  . TYR A 1 134 ? -15.743 -21.042 -27.858 1.00 15.65 ? 140 TYR B CB  1 
ATOM   1167 C CG  . TYR A 1 134 ? -16.676 -21.629 -28.884 1.00 15.22 ? 140 TYR B CG  1 
ATOM   1168 C CD1 . TYR A 1 134 ? -16.517 -22.922 -29.366 1.00 15.34 ? 140 TYR B CD1 1 
ATOM   1169 C CD2 . TYR A 1 134 ? -17.807 -20.944 -29.300 1.00 15.49 ? 140 TYR B CD2 1 
ATOM   1170 C CE1 . TYR A 1 134 ? -17.410 -23.503 -30.246 1.00 16.32 ? 140 TYR B CE1 1 
ATOM   1171 C CE2 . TYR A 1 134 ? -18.735 -21.531 -30.150 1.00 15.82 ? 140 TYR B CE2 1 
ATOM   1172 C CZ  . TYR A 1 134 ? -18.514 -22.793 -30.683 1.00 15.24 ? 140 TYR B CZ  1 
ATOM   1173 O OH  . TYR A 1 134 ? -19.423 -23.420 -31.499 1.00 16.12 ? 140 TYR B OH  1 
ATOM   1174 N N   . GLU A 1 135 ? -14.175 -23.230 -26.339 1.00 16.84 ? 141 GLU B N   1 
ATOM   1175 C CA  . GLU A 1 135 ? -13.542 -24.573 -26.347 1.00 17.74 ? 141 GLU B CA  1 
ATOM   1176 C C   . GLU A 1 135 ? -13.962 -25.353 -25.108 1.00 17.11 ? 141 GLU B C   1 
ATOM   1177 O O   . GLU A 1 135 ? -14.297 -26.560 -25.253 1.00 20.10 ? 141 GLU B O   1 
ATOM   1178 C CB  . GLU A 1 135 ? -12.025 -24.465 -26.492 1.00 19.31 ? 141 GLU B CB  1 
ATOM   1179 C CG  . GLU A 1 135 ? -11.601 -24.320 -27.965 1.00 24.73 ? 141 GLU B CG  1 
ATOM   1180 C CD  . GLU A 1 135 ? -11.916 -22.953 -28.493 1.00 25.98 ? 141 GLU B CD  1 
ATOM   1181 O OE1 . GLU A 1 135 ? -12.045 -22.810 -29.691 1.00 27.60 ? 141 GLU B OE1 1 
ATOM   1182 O OE2 . GLU A 1 135 ? -12.006 -22.018 -27.670 1.00 29.20 ? 141 GLU B OE2 1 
ATOM   1183 N N   . ALA A 1 136 ? -13.983 -24.731 -23.927 1.00 16.47 ? 142 ALA B N   1 
ATOM   1184 C CA  . ALA A 1 136 ? -14.344 -25.432 -22.687 1.00 17.58 ? 142 ALA B CA  1 
ATOM   1185 C C   . ALA A 1 136 ? -15.845 -25.736 -22.590 1.00 17.59 ? 142 ALA B C   1 
ATOM   1186 O O   . ALA A 1 136 ? -16.239 -26.596 -21.772 1.00 19.22 ? 142 ALA B O   1 
ATOM   1187 C CB  . ALA A 1 136 ? -13.891 -24.619 -21.529 1.00 17.64 ? 142 ALA B CB  1 
ATOM   1188 N N   . GLY A 1 137 ? -16.697 -25.071 -23.374 1.00 14.56 ? 143 GLY B N   1 
ATOM   1189 C CA  . GLY A 1 137 ? -18.141 -25.237 -23.278 1.00 13.86 ? 143 GLY B CA  1 
ATOM   1190 C C   . GLY A 1 137 ? -18.679 -24.614 -21.985 1.00 13.17 ? 143 GLY B C   1 
ATOM   1191 O O   . GLY A 1 137 ? -19.492 -25.295 -21.312 1.00 13.73 ? 143 GLY B O   1 
ATOM   1192 N N   . VAL A 1 138 ? -18.299 -23.374 -21.713 1.00 13.87 ? 144 VAL B N   1 
ATOM   1193 C CA  . VAL A 1 138 ? -18.669 -22.670 -20.443 1.00 13.54 ? 144 VAL B CA  1 
ATOM   1194 C C   . VAL A 1 138 ? -19.313 -21.322 -20.768 1.00 13.94 ? 144 VAL B C   1 
ATOM   1195 O O   . VAL A 1 138 ? -18.720 -20.534 -21.570 1.00 14.90 ? 144 VAL B O   1 
ATOM   1196 C CB  . VAL A 1 138 ? -17.414 -22.498 -19.579 1.00 16.01 ? 144 VAL B CB  1 
ATOM   1197 C CG1 . VAL A 1 138 ? -17.628 -21.559 -18.405 1.00 16.50 ? 144 VAL B CG1 1 
ATOM   1198 C CG2 . VAL A 1 138 ? -16.936 -23.868 -19.083 1.00 16.19 ? 144 VAL B CG2 1 
ATOM   1199 N N   . VAL A 1 139 ? -20.401 -21.023 -20.074 1.00 13.20 ? 145 VAL B N   1 
ATOM   1200 C CA  . VAL A 1 139 ? -20.941 -19.632 -20.028 1.00 12.15 ? 145 VAL B CA  1 
ATOM   1201 C C   . VAL A 1 139 ? -21.122 -19.281 -18.544 1.00 11.71 ? 145 VAL B C   1 
ATOM   1202 O O   . VAL A 1 139 ? -21.916 -19.986 -17.876 1.00 13.54 ? 145 VAL B O   1 
ATOM   1203 C CB  . VAL A 1 139 ? -22.262 -19.515 -20.816 1.00 13.39 ? 145 VAL B CB  1 
ATOM   1204 C CG1 . VAL A 1 139 ? -22.770 -18.076 -20.767 1.00 13.33 ? 145 VAL B CG1 1 
ATOM   1205 C CG2 . VAL A 1 139 ? -22.140 -20.024 -22.245 1.00 13.26 ? 145 VAL B CG2 1 
ATOM   1206 N N   . SER A 1 140 ? -20.484 -18.228 -18.092 1.00 12.80 ? 146 SER B N   1 
ATOM   1207 C CA  . SER A 1 140 ? -20.572 -17.829 -16.669 1.00 13.12 ? 146 SER B CA  1 
ATOM   1208 C C   . SER A 1 140 ? -21.092 -16.390 -16.581 1.00 12.65 ? 146 SER B C   1 
ATOM   1209 O O   . SER A 1 140 ? -20.751 -15.537 -17.401 1.00 14.00 ? 146 SER B O   1 
ATOM   1210 C CB  . SER A 1 140 ? -19.235 -17.992 -15.975 1.00 13.74 ? 146 SER B CB  1 
ATOM   1211 O OG  . SER A 1 140 ? -18.863 -19.371 -15.866 1.00 14.73 ? 146 SER B OG  1 
ATOM   1212 N N   . PHE A 1 141 ? -21.737 -16.096 -15.459 1.00 11.94 ? 147 PHE B N   1 
ATOM   1213 C CA  . PHE A 1 141 ? -22.366 -14.796 -15.155 1.00 12.12 ? 147 PHE B CA  1 
ATOM   1214 C C   . PHE A 1 141 ? -21.838 -14.336 -13.798 1.00 12.54 ? 147 PHE B C   1 
ATOM   1215 O O   . PHE A 1 141 ? -21.850 -15.144 -12.826 1.00 14.04 ? 147 PHE B O   1 
ATOM   1216 C CB  . PHE A 1 141 ? -23.902 -14.913 -15.146 1.00 12.17 ? 147 PHE B CB  1 
ATOM   1217 C CG  . PHE A 1 141 ? -24.478 -15.310 -16.473 1.00 12.13 ? 147 PHE B CG  1 
ATOM   1218 C CD1 . PHE A 1 141 ? -24.555 -16.658 -16.838 1.00 12.45 ? 147 PHE B CD1 1 
ATOM   1219 C CD2 . PHE A 1 141 ? -25.032 -14.342 -17.309 1.00 12.98 ? 147 PHE B CD2 1 
ATOM   1220 C CE1 . PHE A 1 141 ? -25.034 -17.018 -18.097 1.00 11.98 ? 147 PHE B CE1 1 
ATOM   1221 C CE2 . PHE A 1 141 ? -25.486 -14.703 -18.577 1.00 12.48 ? 147 PHE B CE2 1 
ATOM   1222 C CZ  . PHE A 1 141 ? -25.555 -16.039 -18.926 1.00 12.04 ? 147 PHE B CZ  1 
ATOM   1223 N N   . TYR A 1 142 ? -21.487 -13.057 -13.749 1.00 12.84 ? 148 TYR B N   1 
ATOM   1224 C CA  . TYR A 1 142 ? -20.829 -12.421 -12.577 1.00 13.72 ? 148 TYR B CA  1 
ATOM   1225 C C   . TYR A 1 142 ? -21.622 -11.182 -12.168 1.00 15.93 ? 148 TYR B C   1 
ATOM   1226 O O   . TYR A 1 142 ? -22.118 -10.410 -12.975 1.00 15.97 ? 148 TYR B O   1 
ATOM   1227 C CB  . TYR A 1 142 ? -19.366 -12.105 -12.866 1.00 14.42 ? 148 TYR B CB  1 
ATOM   1228 C CG  . TYR A 1 142 ? -18.548 -13.350 -13.124 1.00 14.74 ? 148 TYR B CG  1 
ATOM   1229 C CD1 . TYR A 1 142 ? -18.068 -14.132 -12.093 1.00 15.84 ? 148 TYR B CD1 1 
ATOM   1230 C CD2 . TYR A 1 142 ? -18.351 -13.823 -14.409 1.00 15.79 ? 148 TYR B CD2 1 
ATOM   1231 C CE1 . TYR A 1 142 ? -17.415 -15.327 -12.331 1.00 16.64 ? 148 TYR B CE1 1 
ATOM   1232 C CE2 . TYR A 1 142 ? -17.674 -15.000 -14.670 1.00 16.69 ? 148 TYR B CE2 1 
ATOM   1233 C CZ  . TYR A 1 142 ? -17.150 -15.743 -13.630 1.00 17.20 ? 148 TYR B CZ  1 
ATOM   1234 O OH  . TYR A 1 142 ? -16.510 -16.949 -13.881 1.00 20.44 ? 148 TYR B OH  1 
ATOM   1235 N N   . ASN A 1 143 ? -21.660 -10.947 -10.860 1.00 16.34 ? 149 ASN B N   1 
ATOM   1236 C CA  . ASN A 1 143 ? -22.369 -9.783  -10.246 1.00 15.90 ? 149 ASN B CA  1 
ATOM   1237 C C   . ASN A 1 143 ? -21.341 -8.669  -10.051 1.00 17.16 ? 149 ASN B C   1 
ATOM   1238 O O   . ASN A 1 143 ? -20.590 -8.692  -9.037  1.00 17.28 ? 149 ASN B O   1 
ATOM   1239 C CB  . ASN A 1 143 ? -23.001 -10.193 -8.922  1.00 16.55 ? 149 ASN B CB  1 
ATOM   1240 C CG  . ASN A 1 143 ? -23.821 -9.095  -8.267  1.00 15.93 ? 149 ASN B CG  1 
ATOM   1241 O OD1 . ASN A 1 143 ? -23.637 -7.928  -8.604  1.00 17.62 ? 149 ASN B OD1 1 
ATOM   1242 N ND2 . ASN A 1 143 ? -24.681 -9.497  -7.367  1.00 17.63 ? 149 ASN B ND2 1 
ATOM   1243 N N   . ILE A 1 144 ? -21.284 -7.691  -10.941 1.00 18.18 ? 150 ILE B N   1 
ATOM   1244 C CA  . ILE A 1 144 ? -20.215 -6.663  -10.909 1.00 18.44 ? 150 ILE B CA  1 
ATOM   1245 C C   . ILE A 1 144 ? -20.468 -5.775  -9.670  1.00 20.41 ? 150 ILE B C   1 
ATOM   1246 O O   . ILE A 1 144 ? -19.490 -5.316  -9.059  1.00 22.03 ? 150 ILE B O   1 
ATOM   1247 C CB  . ILE A 1 144 ? -20.187 -5.877  -12.229 1.00 19.82 ? 150 ILE B CB  1 
ATOM   1248 C CG1 . ILE A 1 144 ? -20.013 -6.767  -13.459 1.00 20.71 ? 150 ILE B CG1 1 
ATOM   1249 C CG2 . ILE A 1 144 ? -19.103 -4.795  -12.208 1.00 21.86 ? 150 ILE B CG2 1 
ATOM   1250 C CD1 . ILE A 1 144 ? -18.964 -7.830  -13.277 1.00 23.19 ? 150 ILE B CD1 1 
ATOM   1251 N N   . THR A 1 145 ? -21.720 -5.577  -9.295  1.00 19.60 ? 151 THR B N   1 
ATOM   1252 C CA  . THR A 1 145 ? -22.092 -4.717  -8.122  1.00 21.06 ? 151 THR B CA  1 
ATOM   1253 C C   . THR A 1 145 ? -21.519 -5.325  -6.847  1.00 23.09 ? 151 THR B C   1 
ATOM   1254 O O   . THR A 1 145 ? -21.101 -4.550  -5.953  1.00 27.29 ? 151 THR B O   1 
ATOM   1255 C CB  . THR A 1 145 ? -23.618 -4.560  -8.026  1.00 20.05 ? 151 THR B CB  1 
ATOM   1256 O OG1 . THR A 1 145 ? -24.004 -4.097  -9.314  1.00 19.80 ? 151 THR B OG1 1 
ATOM   1257 C CG2 . THR A 1 145 ? -24.014 -3.554  -6.966  1.00 21.66 ? 151 THR B CG2 1 
ATOM   1258 N N   . ASP A 1 146 ? -21.448 -6.653  -6.776  1.00 22.36 ? 152 ASP B N   1 
ATOM   1259 C CA  . ASP A 1 146 ? -20.953 -7.419  -5.596  1.00 23.09 ? 152 ASP B CA  1 
ATOM   1260 C C   . ASP A 1 146 ? -19.528 -7.929  -5.857  1.00 21.54 ? 152 ASP B C   1 
ATOM   1261 O O   . ASP A 1 146 ? -19.304 -9.104  -5.648  1.00 23.81 ? 152 ASP B O   1 
ATOM   1262 C CB  . ASP A 1 146 ? -21.986 -8.466  -5.217  1.00 21.48 ? 152 ASP B CB  1 
ATOM   1263 C CG  . ASP A 1 146 ? -21.638 -9.234  -3.957  1.00 28.52 ? 152 ASP B CG  1 
ATOM   1264 O OD1 . ASP A 1 146 ? -21.264 -8.567  -2.983  1.00 26.67 ? 152 ASP B OD1 1 
ATOM   1265 O OD2 . ASP A 1 146 ? -21.677 -10.493 -4.008  1.00 25.83 ? 152 ASP B OD2 1 
ATOM   1266 N N   . HIS A 1 147 ? -18.609 -7.074  -6.300  1.00 23.12 ? 153 HIS B N   1 
ATOM   1267 C CA  . HIS A 1 147 ? -17.159 -7.373  -6.394  1.00 28.52 ? 153 HIS B CA  1 
ATOM   1268 C C   . HIS A 1 147 ? -16.952 -8.568  -7.337  1.00 28.28 ? 153 HIS B C   1 
ATOM   1269 O O   . HIS A 1 147 ? -15.975 -9.319  -7.162  1.00 29.85 ? 153 HIS B O   1 
ATOM   1270 C CB  . HIS A 1 147 ? -16.564 -7.709  -5.016  1.00 33.51 ? 153 HIS B CB  1 
ATOM   1271 C CG  . HIS A 1 147 ? -16.871 -6.766  -3.893  1.00 42.61 ? 153 HIS B CG  1 
ATOM   1272 N ND1 . HIS A 1 147 ? -16.353 -5.480  -3.838  1.00 53.33 ? 153 HIS B ND1 1 
ATOM   1273 C CD2 . HIS A 1 147 ? -17.559 -6.953  -2.741  1.00 50.29 ? 153 HIS B CD2 1 
ATOM   1274 C CE1 . HIS A 1 147 ? -16.753 -4.894  -2.721  1.00 56.68 ? 153 HIS B CE1 1 
ATOM   1275 N NE2 . HIS A 1 147 ? -17.495 -5.782  -2.026  1.00 54.83 ? 153 HIS B NE2 1 
ATOM   1276 N N   . GLY A 1 148 ? -17.853 -8.801  -8.290  1.00 23.19 ? 154 GLY B N   1 
ATOM   1277 C CA  . GLY A 1 148 ? -17.604 -9.849  -9.298  1.00 20.17 ? 154 GLY B CA  1 
ATOM   1278 C C   . GLY A 1 148 ? -18.035 -11.238 -8.867  1.00 18.22 ? 154 GLY B C   1 
ATOM   1279 O O   . GLY A 1 148 ? -17.471 -12.188 -9.400  1.00 18.68 ? 154 GLY B O   1 
ATOM   1280 N N   . SER A 1 149 ? -18.847 -11.380 -7.833  1.00 18.31 ? 155 SER B N   1 
ATOM   1281 C CA  . SER A 1 149 ? -19.237 -12.704 -7.293  1.00 16.50 ? 155 SER B CA  1 
ATOM   1282 C C   . SER A 1 149 ? -19.922 -13.547 -8.377  1.00 17.82 ? 155 SER B C   1 
ATOM   1283 O O   . SER A 1 149 ? -20.670 -13.015 -9.220  1.00 17.78 ? 155 SER B O   1 
ATOM   1284 C CB  . SER A 1 149 ? -20.105 -12.602 -6.077  1.00 18.58 ? 155 SER B CB  1 
ATOM   1285 O OG  . SER A 1 149 ? -21.294 -11.822 -6.272  1.00 18.65 ? 155 SER B OG  1 
ATOM   1286 N N   . LEU A 1 150 ? -19.685 -14.837 -8.367  1.00 17.13 ? 156 LEU B N   1 
ATOM   1287 C CA  . LEU A 1 150 ? -20.334 -15.725 -9.363  1.00 15.09 ? 156 LEU B CA  1 
ATOM   1288 C C   . LEU A 1 150 ? -21.832 -15.800 -9.128  1.00 14.84 ? 156 LEU B C   1 
ATOM   1289 O O   . LEU A 1 150 ? -22.322 -16.046 -8.006  1.00 15.80 ? 156 LEU B O   1 
ATOM   1290 C CB  . LEU A 1 150 ? -19.738 -17.122 -9.257  1.00 15.46 ? 156 LEU B CB  1 
ATOM   1291 C CG  . LEU A 1 150 ? -20.295 -18.170 -10.219 1.00 14.97 ? 156 LEU B CG  1 
ATOM   1292 C CD1 . LEU A 1 150 ? -19.907 -17.858 -11.646 1.00 15.91 ? 156 LEU B CD1 1 
ATOM   1293 C CD2 . LEU A 1 150 ? -19.730 -19.559 -9.831  1.00 16.58 ? 156 LEU B CD2 1 
ATOM   1294 N N   . ILE A 1 151 ? -22.583 -15.646 -10.200 1.00 13.59 ? 157 ILE B N   1 
ATOM   1295 C CA  . ILE A 1 151 ? -24.038 -15.882 -10.249 1.00 14.01 ? 157 ILE B CA  1 
ATOM   1296 C C   . ILE A 1 151 ? -24.357 -17.313 -10.684 1.00 13.56 ? 157 ILE B C   1 
ATOM   1297 O O   . ILE A 1 151 ? -25.197 -18.003 -10.082 1.00 14.18 ? 157 ILE B O   1 
ATOM   1298 C CB  . ILE A 1 151 ? -24.740 -14.806 -11.121 1.00 14.15 ? 157 ILE B CB  1 
ATOM   1299 C CG1 . ILE A 1 151 ? -24.575 -13.410 -10.535 1.00 15.60 ? 157 ILE B CG1 1 
ATOM   1300 C CG2 . ILE A 1 151 ? -26.210 -15.155 -11.331 1.00 14.07 ? 157 ILE B CG2 1 
ATOM   1301 C CD1 . ILE A 1 151 ? -24.959 -12.285 -11.498 1.00 15.74 ? 157 ILE B CD1 1 
ATOM   1302 N N   . TYR A 1 152 ? -23.817 -17.709 -11.842 1.00 13.38 ? 158 TYR B N   1 
ATOM   1303 C CA  . TYR A 1 152 ? -24.199 -19.006 -12.433 1.00 13.00 ? 158 TYR B CA  1 
ATOM   1304 C C   . TYR A 1 152 ? -23.178 -19.399 -13.507 1.00 12.45 ? 158 TYR B C   1 
ATOM   1305 O O   . TYR A 1 152 ? -22.660 -18.519 -14.212 1.00 12.94 ? 158 TYR B O   1 
ATOM   1306 C CB  . TYR A 1 152 ? -25.581 -18.949 -13.133 1.00 13.31 ? 158 TYR B CB  1 
ATOM   1307 C CG  . TYR A 1 152 ? -26.104 -20.317 -13.454 1.00 12.64 ? 158 TYR B CG  1 
ATOM   1308 C CD1 . TYR A 1 152 ? -26.734 -21.124 -12.516 1.00 12.84 ? 158 TYR B CD1 1 
ATOM   1309 C CD2 . TYR A 1 152 ? -25.976 -20.850 -14.731 1.00 12.07 ? 158 TYR B CD2 1 
ATOM   1310 C CE1 . TYR A 1 152 ? -27.136 -22.416 -12.803 1.00 13.61 ? 158 TYR B CE1 1 
ATOM   1311 C CE2 . TYR A 1 152 ? -26.441 -22.116 -15.042 1.00 13.50 ? 158 TYR B CE2 1 
ATOM   1312 C CZ  . TYR A 1 152 ? -26.986 -22.916 -14.075 1.00 13.56 ? 158 TYR B CZ  1 
ATOM   1313 O OH  . TYR A 1 152 ? -27.390 -24.188 -14.351 1.00 16.24 ? 158 TYR B OH  1 
ATOM   1314 N N   . THR A 1 153 ? -22.872 -20.707 -13.562 1.00 13.02 ? 159 THR B N   1 
ATOM   1315 C CA  . THR A 1 153 ? -22.025 -21.327 -14.615 1.00 13.88 ? 159 THR B CA  1 
ATOM   1316 C C   . THR A 1 153 ? -22.813 -22.432 -15.306 1.00 12.87 ? 159 THR B C   1 
ATOM   1317 O O   . THR A 1 153 ? -23.223 -23.419 -14.706 1.00 14.04 ? 159 THR B O   1 
ATOM   1318 C CB  . THR A 1 153 ? -20.703 -21.852 -14.050 1.00 14.91 ? 159 THR B CB  1 
ATOM   1319 O OG1 . THR A 1 153 ? -19.917 -20.738 -13.683 1.00 13.68 ? 159 THR B OG1 1 
ATOM   1320 C CG2 . THR A 1 153 ? -19.970 -22.671 -15.086 1.00 15.04 ? 159 THR B CG2 1 
ATOM   1321 N N   . PHE A 1 154 ? -23.029 -22.271 -16.620 1.00 12.81 ? 160 PHE B N   1 
ATOM   1322 C CA  . PHE A 1 154 ? -23.431 -23.371 -17.520 1.00 13.03 ? 160 PHE B CA  1 
ATOM   1323 C C   . PHE A 1 154 ? -22.148 -24.085 -17.971 1.00 13.32 ? 160 PHE B C   1 
ATOM   1324 O O   . PHE A 1 154 ? -21.272 -23.443 -18.535 1.00 12.61 ? 160 PHE B O   1 
ATOM   1325 C CB  . PHE A 1 154 ? -24.120 -22.890 -18.802 1.00 13.34 ? 160 PHE B CB  1 
ATOM   1326 C CG  . PHE A 1 154 ? -25.494 -22.284 -18.630 1.00 11.26 ? 160 PHE B CG  1 
ATOM   1327 C CD1 . PHE A 1 154 ? -25.642 -20.923 -18.387 1.00 11.80 ? 160 PHE B CD1 1 
ATOM   1328 C CD2 . PHE A 1 154 ? -26.642 -23.048 -18.811 1.00 12.09 ? 160 PHE B CD2 1 
ATOM   1329 C CE1 . PHE A 1 154 ? -26.910 -20.376 -18.274 1.00 11.92 ? 160 PHE B CE1 1 
ATOM   1330 C CE2 . PHE A 1 154 ? -27.914 -22.479 -18.747 1.00 12.26 ? 160 PHE B CE2 1 
ATOM   1331 C CZ  . PHE A 1 154 ? -28.019 -21.136 -18.469 1.00 11.24 ? 160 PHE B CZ  1 
ATOM   1332 N N   . SER A 1 155 ? -22.029 -25.372 -17.658 1.00 14.71 ? 161 SER B N   1 
ATOM   1333 C CA  . SER A 1 155 ? -20.860 -26.151 -18.109 1.00 16.68 ? 161 SER B CA  1 
ATOM   1334 C C   . SER A 1 155 ? -21.349 -27.286 -19.001 1.00 15.24 ? 161 SER B C   1 
ATOM   1335 O O   . SER A 1 155 ? -22.542 -27.568 -19.097 1.00 16.51 ? 161 SER B O   1 
ATOM   1336 C CB  . SER A 1 155 ? -20.058 -26.595 -16.910 1.00 18.86 ? 161 SER B CB  1 
ATOM   1337 O OG  . SER A 1 155 ? -20.735 -27.573 -16.194 1.00 21.88 ? 161 SER B OG  1 
ATOM   1338 N N   . GLU A 1 156 ? -20.395 -27.921 -19.704 1.00 17.55 ? 162 GLU B N   1 
ATOM   1339 C CA  . GLU A 1 156 ? -20.730 -29.001 -20.671 1.00 19.05 ? 162 GLU B CA  1 
ATOM   1340 C C   . GLU A 1 156 ? -21.686 -28.473 -21.745 1.00 18.13 ? 162 GLU B C   1 
ATOM   1341 O O   . GLU A 1 156 ? -22.607 -29.232 -22.157 1.00 20.19 ? 162 GLU B O   1 
ATOM   1342 C CB  . GLU A 1 156 ? -21.384 -30.210 -19.998 1.00 24.24 ? 162 GLU B CB  1 
ATOM   1343 C CG  . GLU A 1 156 ? -20.697 -30.660 -18.725 1.00 29.41 ? 162 GLU B CG  1 
ATOM   1344 C CD  . GLU A 1 156 ? -21.291 -31.978 -18.237 1.00 39.90 ? 162 GLU B CD  1 
ATOM   1345 O OE1 . GLU A 1 156 ? -22.413 -31.970 -17.653 1.00 41.12 ? 162 GLU B OE1 1 
ATOM   1346 O OE2 . GLU A 1 156 ? -20.680 -33.025 -18.537 1.00 47.85 ? 162 GLU B OE2 1 
ATOM   1347 N N   . CYS A 1 157 ? -21.535 -27.195 -22.117 1.00 16.72 ? 163 CYS B N   1 
ATOM   1348 C CA  . CYS A 1 157 ? -22.424 -26.582 -23.131 1.00 16.20 ? 163 CYS B CA  1 
ATOM   1349 C C   . CYS A 1 157 ? -22.166 -27.237 -24.499 1.00 16.88 ? 163 CYS B C   1 
ATOM   1350 O O   . CYS A 1 157 ? -20.973 -27.448 -24.849 1.00 18.82 ? 163 CYS B O   1 
ATOM   1351 C CB  . CYS A 1 157 ? -22.238 -25.071 -23.276 1.00 15.69 ? 163 CYS B CB  1 
ATOM   1352 S SG  . CYS A 1 157 ? -22.656 -24.157 -21.752 1.00 15.64 ? 163 CYS B SG  1 
ATOM   1353 N N   . VAL A 1 158 ? -23.235 -27.502 -25.226 1.00 15.63 ? 164 VAL B N   1 
ATOM   1354 C CA  . VAL A 1 158 ? -23.102 -28.007 -26.616 1.00 16.28 ? 164 VAL B CA  1 
ATOM   1355 C C   . VAL A 1 158 ? -23.536 -26.860 -27.533 1.00 15.19 ? 164 VAL B C   1 
ATOM   1356 O O   . VAL A 1 158 ? -24.713 -26.768 -27.914 1.00 17.60 ? 164 VAL B O   1 
ATOM   1357 C CB  . VAL A 1 158 ? -23.853 -29.341 -26.755 1.00 18.82 ? 164 VAL B CB  1 
ATOM   1358 C CG1 . VAL A 1 158 ? -23.727 -29.852 -28.196 1.00 20.15 ? 164 VAL B CG1 1 
ATOM   1359 C CG2 . VAL A 1 158 ? -23.306 -30.383 -25.790 1.00 21.11 ? 164 VAL B CG2 1 
ATOM   1360 N N   . PHE A 1 159 ? -22.628 -25.946 -27.857 1.00 14.52 ? 165 PHE B N   1 
ATOM   1361 C CA  . PHE A 1 159 ? -22.990 -24.722 -28.616 1.00 14.45 ? 165 PHE B CA  1 
ATOM   1362 C C   . PHE A 1 159 ? -23.549 -25.083 -29.989 1.00 16.43 ? 165 PHE B C   1 
ATOM   1363 O O   . PHE A 1 159 ? -24.557 -24.477 -30.403 1.00 16.28 ? 165 PHE B O   1 
ATOM   1364 C CB  . PHE A 1 159 ? -21.839 -23.729 -28.641 1.00 15.01 ? 165 PHE B CB  1 
ATOM   1365 C CG  . PHE A 1 159 ? -21.412 -23.268 -27.263 1.00 13.66 ? 165 PHE B CG  1 
ATOM   1366 C CD1 . PHE A 1 159 ? -22.350 -22.767 -26.365 1.00 14.63 ? 165 PHE B CD1 1 
ATOM   1367 C CD2 . PHE A 1 159 ? -20.076 -23.235 -26.918 1.00 16.25 ? 165 PHE B CD2 1 
ATOM   1368 C CE1 . PHE A 1 159 ? -21.933 -22.325 -25.106 1.00 14.86 ? 165 PHE B CE1 1 
ATOM   1369 C CE2 . PHE A 1 159 ? -19.662 -22.787 -25.677 1.00 17.03 ? 165 PHE B CE2 1 
ATOM   1370 C CZ  . PHE A 1 159 ? -20.594 -22.305 -24.786 1.00 15.15 ? 165 PHE B CZ  1 
ATOM   1371 N N   . ALA A 1 160 ? -22.891 -26.001 -30.688 1.00 16.12 ? 166 ALA B N   1 
ATOM   1372 C CA  . ALA A 1 160 ? -23.354 -26.556 -31.983 1.00 16.64 ? 166 ALA B CA  1 
ATOM   1373 C C   . ALA A 1 160 ? -23.497 -25.484 -33.063 1.00 15.96 ? 166 ALA B C   1 
ATOM   1374 O O   . ALA A 1 160 ? -24.315 -25.694 -34.009 1.00 18.23 ? 166 ALA B O   1 
ATOM   1375 C CB  . ALA A 1 160 ? -24.617 -27.362 -31.804 1.00 16.62 ? 166 ALA B CB  1 
ATOM   1376 N N   . GLY A 1 161 ? -22.748 -24.420 -32.972 1.00 16.63 ? 167 GLY B N   1 
ATOM   1377 C CA  . GLY A 1 161 ? -22.748 -23.335 -33.973 1.00 17.84 ? 167 GLY B CA  1 
ATOM   1378 C C   . GLY A 1 161 ? -22.046 -22.089 -33.475 1.00 16.46 ? 167 GLY B C   1 
ATOM   1379 O O   . GLY A 1 161 ? -21.623 -22.015 -32.293 1.00 15.55 ? 167 GLY B O   1 
ATOM   1380 N N   . PRO A 1 162 ? -21.955 -21.047 -34.298 1.00 14.94 ? 168 PRO B N   1 
ATOM   1381 C CA  . PRO A 1 162 ? -21.464 -19.749 -33.864 1.00 14.11 ? 168 PRO B CA  1 
ATOM   1382 C C   . PRO A 1 162 ? -22.417 -19.194 -32.788 1.00 14.88 ? 168 PRO B C   1 
ATOM   1383 O O   . PRO A 1 162 ? -23.623 -19.443 -32.841 1.00 14.34 ? 168 PRO B O   1 
ATOM   1384 C CB  . PRO A 1 162 ? -21.459 -18.865 -35.109 1.00 14.78 ? 168 PRO B CB  1 
ATOM   1385 C CG  . PRO A 1 162 ? -21.538 -19.874 -36.259 1.00 14.29 ? 168 PRO B CG  1 
ATOM   1386 C CD  . PRO A 1 162 ? -22.313 -21.027 -35.740 1.00 14.01 ? 168 PRO B CD  1 
ATOM   1387 N N   . LEU A 1 163 ? -21.854 -18.455 -31.857 1.00 14.85 ? 169 LEU B N   1 
ATOM   1388 C CA  . LEU A 1 163 ? -22.619 -17.808 -30.762 1.00 13.91 ? 169 LEU B CA  1 
ATOM   1389 C C   . LEU A 1 163 ? -22.745 -16.314 -31.028 1.00 14.28 ? 169 LEU B C   1 
ATOM   1390 O O   . LEU A 1 163 ? -21.810 -15.664 -31.503 1.00 15.65 ? 169 LEU B O   1 
ATOM   1391 C CB  . LEU A 1 163 ? -21.941 -18.018 -29.411 1.00 13.66 ? 169 LEU B CB  1 
ATOM   1392 C CG  . LEU A 1 163 ? -21.922 -19.449 -28.873 1.00 14.50 ? 169 LEU B CG  1 
ATOM   1393 C CD1 . LEU A 1 163 ? -21.140 -19.498 -27.587 1.00 15.74 ? 169 LEU B CD1 1 
ATOM   1394 C CD2 . LEU A 1 163 ? -23.342 -19.976 -28.663 1.00 15.19 ? 169 LEU B CD2 1 
ATOM   1395 N N   . ARG A 1 164 ? -23.858 -15.741 -30.599 1.00 13.73 ? 170 ARG B N   1 
ATOM   1396 C CA  . ARG A 1 164 ? -24.071 -14.298 -30.598 1.00 13.44 ? 170 ARG B CA  1 
ATOM   1397 C C   . ARG A 1 164 ? -24.492 -13.826 -29.210 1.00 12.05 ? 170 ARG B C   1 
ATOM   1398 O O   . ARG A 1 164 ? -25.265 -14.506 -28.533 1.00 12.82 ? 170 ARG B O   1 
ATOM   1399 C CB  . ARG A 1 164 ? -25.142 -13.918 -31.614 1.00 13.78 ? 170 ARG B CB  1 
ATOM   1400 C CG  . ARG A 1 164 ? -24.664 -14.311 -33.021 1.00 16.31 ? 170 ARG B CG  1 
ATOM   1401 C CD  . ARG A 1 164 ? -25.569 -13.892 -34.144 1.00 19.34 ? 170 ARG B CD  1 
ATOM   1402 N NE  . ARG A 1 164 ? -25.656 -12.461 -34.238 1.00 18.42 ? 170 ARG B NE  1 
ATOM   1403 C CZ  . ARG A 1 164 ? -26.352 -11.840 -35.180 1.00 19.00 ? 170 ARG B CZ  1 
ATOM   1404 N NH1 . ARG A 1 164 ? -26.951 -12.545 -36.112 1.00 19.96 ? 170 ARG B NH1 1 
ATOM   1405 N NH2 . ARG A 1 164 ? -26.401 -10.523 -35.186 1.00 17.51 ? 170 ARG B NH2 1 
ATOM   1406 N N   . PRO A 1 165 ? -24.057 -12.620 -28.820 1.00 12.69 ? 171 PRO B N   1 
ATOM   1407 C CA  . PRO A 1 165 ? -24.582 -12.018 -27.580 1.00 12.41 ? 171 PRO B CA  1 
ATOM   1408 C C   . PRO A 1 165 ? -26.110 -11.852 -27.706 1.00 12.79 ? 171 PRO B C   1 
ATOM   1409 O O   . PRO A 1 165 ? -26.621 -11.556 -28.765 1.00 12.87 ? 171 PRO B O   1 
ATOM   1410 C CB  . PRO A 1 165 ? -23.891 -10.659 -27.478 1.00 13.44 ? 171 PRO B CB  1 
ATOM   1411 C CG  . PRO A 1 165 ? -22.637 -10.823 -28.329 1.00 15.17 ? 171 PRO B CG  1 
ATOM   1412 C CD  . PRO A 1 165 ? -23.058 -11.740 -29.455 1.00 14.35 ? 171 PRO B CD  1 
ATOM   1413 N N   . PHE A 1 166 ? -26.822 -12.121 -26.616 1.00 11.58 ? 172 PHE B N   1 
ATOM   1414 C CA  . PHE A 1 166 ? -28.295 -12.161 -26.606 1.00 12.30 ? 172 PHE B CA  1 
ATOM   1415 C C   . PHE A 1 166 ? -28.828 -11.215 -25.523 1.00 10.87 ? 172 PHE B C   1 
ATOM   1416 O O   . PHE A 1 166 ? -28.325 -11.201 -24.373 1.00 11.13 ? 172 PHE B O   1 
ATOM   1417 C CB  . PHE A 1 166 ? -28.795 -13.571 -26.318 1.00 12.32 ? 172 PHE B CB  1 
ATOM   1418 C CG  . PHE A 1 166 ? -30.290 -13.681 -26.116 1.00 12.70 ? 172 PHE B CG  1 
ATOM   1419 C CD1 . PHE A 1 166 ? -31.137 -13.656 -27.209 1.00 13.22 ? 172 PHE B CD1 1 
ATOM   1420 C CD2 . PHE A 1 166 ? -30.858 -13.708 -24.841 1.00 13.24 ? 172 PHE B CD2 1 
ATOM   1421 C CE1 . PHE A 1 166 ? -32.520 -13.726 -27.052 1.00 13.12 ? 172 PHE B CE1 1 
ATOM   1422 C CE2 . PHE A 1 166 ? -32.238 -13.768 -24.693 1.00 13.26 ? 172 PHE B CE2 1 
ATOM   1423 C CZ  . PHE A 1 166 ? -33.053 -13.773 -25.790 1.00 13.28 ? 172 PHE B CZ  1 
ATOM   1424 N N   . PHE A 1 167 ? -29.892 -10.470 -25.836 1.00 11.74 ? 173 PHE B N   1 
ATOM   1425 C CA  . PHE A 1 167 ? -30.503 -9.443  -24.974 1.00 11.96 ? 173 PHE B CA  1 
ATOM   1426 C C   . PHE A 1 167 ? -32.026 -9.525  -25.078 1.00 11.87 ? 173 PHE B C   1 
ATOM   1427 O O   . PHE A 1 167 ? -32.551 -9.557  -26.187 1.00 12.68 ? 173 PHE B O   1 
ATOM   1428 C CB  . PHE A 1 167 ? -30.026 -8.030  -25.350 1.00 12.65 ? 173 PHE B CB  1 
ATOM   1429 C CG  . PHE A 1 167 ? -28.519 -7.882  -25.473 1.00 12.64 ? 173 PHE B CG  1 
ATOM   1430 C CD1 . PHE A 1 167 ? -27.886 -8.194  -26.668 1.00 12.39 ? 173 PHE B CD1 1 
ATOM   1431 C CD2 . PHE A 1 167 ? -27.744 -7.457  -24.404 1.00 14.00 ? 173 PHE B CD2 1 
ATOM   1432 C CE1 . PHE A 1 167 ? -26.501 -8.113  -26.785 1.00 12.47 ? 173 PHE B CE1 1 
ATOM   1433 C CE2 . PHE A 1 167 ? -26.370 -7.322  -24.543 1.00 13.80 ? 173 PHE B CE2 1 
ATOM   1434 C CZ  . PHE A 1 167 ? -25.766 -7.658  -25.729 1.00 13.80 ? 173 PHE B CZ  1 
ATOM   1435 N N   . ASN A 1 168 ? -32.683 -9.355  -23.945 1.00 13.17 ? 174 ASN B N   1 
ATOM   1436 C CA  . ASN A 1 168 ? -34.130 -9.092  -23.879 1.00 12.37 ? 174 ASN B CA  1 
ATOM   1437 C C   . ASN A 1 168 ? -34.333 -7.940  -22.910 1.00 13.04 ? 174 ASN B C   1 
ATOM   1438 O O   . ASN A 1 168 ? -34.030 -8.081  -21.740 1.00 13.55 ? 174 ASN B O   1 
ATOM   1439 C CB  . ASN A 1 168 ? -34.918 -10.325 -23.434 1.00 12.58 ? 174 ASN B CB  1 
ATOM   1440 C CG  . ASN A 1 168 ? -36.416 -10.151 -23.545 1.00 14.50 ? 174 ASN B CG  1 
ATOM   1441 O OD1 . ASN A 1 168 ? -36.932 -9.079  -23.860 1.00 14.80 ? 174 ASN B OD1 1 
ATOM   1442 N ND2 . ASN A 1 168 ? -37.152 -11.219 -23.345 1.00 16.44 ? 174 ASN B ND2 1 
ATOM   1443 N N   . VAL A 1 169 ? -34.887 -6.813  -23.379 1.00 12.53 ? 175 VAL B N   1 
ATOM   1444 C CA  . VAL A 1 169 ? -35.141 -5.655  -22.478 1.00 13.13 ? 175 VAL B CA  1 
ATOM   1445 C C   . VAL A 1 169 ? -36.384 -5.894  -21.597 1.00 15.22 ? 175 VAL B C   1 
ATOM   1446 O O   . VAL A 1 169 ? -36.642 -5.070  -20.666 1.00 15.06 ? 175 VAL B O   1 
ATOM   1447 C CB  . VAL A 1 169 ? -35.255 -4.312  -23.232 1.00 15.18 ? 175 VAL B CB  1 
ATOM   1448 C CG1 . VAL A 1 169 ? -33.963 -3.968  -23.957 1.00 14.64 ? 175 VAL B CG1 1 
ATOM   1449 C CG2 . VAL A 1 169 ? -36.428 -4.297  -24.205 1.00 15.08 ? 175 VAL B CG2 1 
ATOM   1450 N N   . GLY A 1 170 ? -37.167 -6.900  -21.957 1.00 14.84 ? 176 GLY B N   1 
ATOM   1451 C CA  . GLY A 1 170 ? -38.444 -7.210  -21.279 1.00 17.32 ? 176 GLY B CA  1 
ATOM   1452 C C   . GLY A 1 170 ? -39.588 -6.288  -21.643 1.00 16.29 ? 176 GLY B C   1 
ATOM   1453 O O   . GLY A 1 170 ? -39.399 -5.223  -22.216 1.00 16.07 ? 176 GLY B O   1 
ATOM   1454 N N   . PHE A 1 171 ? -40.784 -6.746  -21.254 0.50 18.32 ? 177 PHE B N   1 
ATOM   1455 C CA  . PHE A 1 171 ? -42.082 -6.053  -21.418 0.50 18.69 ? 177 PHE B CA  1 
ATOM   1456 C C   . PHE A 1 171 ? -42.099 -4.821  -20.500 0.50 17.17 ? 177 PHE B C   1 
ATOM   1457 O O   . PHE A 1 171 ? -41.309 -4.792  -19.539 0.50 16.36 ? 177 PHE B O   1 
ATOM   1458 C CB  . PHE A 1 171 ? -43.228 -7.021  -21.089 0.50 19.95 ? 177 PHE B CB  1 
ATOM   1459 C CG  . PHE A 1 171 ? -43.318 -8.301  -21.889 0.50 21.29 ? 177 PHE B CG  1 
ATOM   1460 C CD1 . PHE A 1 171 ? -43.592 -9.512  -21.261 0.50 23.46 ? 177 PHE B CD1 1 
ATOM   1461 C CD2 . PHE A 1 171 ? -43.199 -8.299  -23.271 0.50 21.77 ? 177 PHE B CD2 1 
ATOM   1462 C CE1 . PHE A 1 171 ? -43.713 -10.686 -21.993 0.50 24.35 ? 177 PHE B CE1 1 
ATOM   1463 C CE2 . PHE A 1 171 ? -43.327 -9.470  -24.003 0.50 22.60 ? 177 PHE B CE2 1 
ATOM   1464 C CZ  . PHE A 1 171 ? -43.570 -10.664 -23.361 0.50 23.55 ? 177 PHE B CZ  1 
ATOM   1465 N N   . ASN A 1 172 ? -42.953 -3.835  -20.777 1.00 16.41 ? 178 ASN B N   1 
ATOM   1466 C CA  . ASN A 1 172 ? -43.129 -2.701  -19.850 1.00 15.29 ? 178 ASN B CA  1 
ATOM   1467 C C   . ASN A 1 172 ? -44.638 -2.532  -19.644 1.00 14.91 ? 178 ASN B C   1 
ATOM   1468 O O   . ASN A 1 172 ? -45.125 -1.376  -19.741 1.00 17.03 ? 178 ASN B O   1 
ATOM   1469 C CB  . ASN A 1 172 ? -42.406 -1.456  -20.336 1.00 15.77 ? 178 ASN B CB  1 
ATOM   1470 C CG  . ASN A 1 172 ? -42.472 -0.330  -19.333 1.00 15.79 ? 178 ASN B CG  1 
ATOM   1471 O OD1 . ASN A 1 172 ? -42.493 -0.562  -18.128 1.00 15.95 ? 178 ASN B OD1 1 
ATOM   1472 N ND2 . ASN A 1 172 ? -42.513 0.904   -19.809 1.00 18.09 ? 178 ASN B ND2 1 
ATOM   1473 N N   . TYR A 1 173 ? -45.308 -3.587  -19.227 1.00 16.51 ? 179 TYR B N   1 
ATOM   1474 C CA  . TYR A 1 173 ? -46.759 -3.493  -18.884 1.00 15.89 ? 179 TYR B CA  1 
ATOM   1475 C C   . TYR A 1 173 ? -46.938 -2.644  -17.620 1.00 18.47 ? 179 TYR B C   1 
ATOM   1476 O O   . TYR A 1 173 ? -48.001 -1.996  -17.471 1.00 17.66 ? 179 TYR B O   1 
ATOM   1477 C CB  . TYR A 1 173 ? -47.346 -4.897  -18.669 1.00 16.08 ? 179 TYR B CB  1 
ATOM   1478 C CG  . TYR A 1 173 ? -47.461 -5.747  -19.908 1.00 17.86 ? 179 TYR B CG  1 
ATOM   1479 C CD1 . TYR A 1 173 ? -48.416 -5.467  -20.869 1.00 21.98 ? 179 TYR B CD1 1 
ATOM   1480 C CD2 . TYR A 1 173 ? -46.664 -6.869  -20.069 1.00 20.04 ? 179 TYR B CD2 1 
ATOM   1481 C CE1 . TYR A 1 173 ? -48.505 -6.207  -22.045 1.00 22.80 ? 179 TYR B CE1 1 
ATOM   1482 C CE2 . TYR A 1 173 ? -46.738 -7.604  -21.248 1.00 21.06 ? 179 TYR B CE2 1 
ATOM   1483 C CZ  . TYR A 1 173 ? -47.678 -7.297  -22.209 1.00 22.54 ? 179 TYR B CZ  1 
ATOM   1484 O OH  . TYR A 1 173 ? -47.783 -8.079  -23.341 1.00 27.64 ? 179 TYR B OH  1 
ATOM   1485 N N   . SER A 1 174 ? -45.974 -2.634  -16.703 1.00 15.98 ? 180 SER B N   1 
ATOM   1486 C CA  . SER A 1 174 ? -46.063 -2.034  -15.352 1.00 16.81 ? 180 SER B CA  1 
ATOM   1487 C C   . SER A 1 174 ? -45.767 -0.523  -15.406 1.00 16.67 ? 180 SER B C   1 
ATOM   1488 O O   . SER A 1 174 ? -46.031 0.160   -14.422 1.00 17.84 ? 180 SER B O   1 
ATOM   1489 C CB  . SER A 1 174 ? -45.107 -2.680  -14.390 1.00 16.85 ? 180 SER B CB  1 
ATOM   1490 O OG  . SER A 1 174 ? -43.761 -2.405  -14.792 1.00 17.16 ? 180 SER B OG  1 
ATOM   1491 N N   . GLY A 1 175 ? -45.094 -0.047  -16.453 1.00 16.05 ? 181 GLY B N   1 
ATOM   1492 C CA  . GLY A 1 175 ? -44.530 1.318   -16.455 1.00 16.80 ? 181 GLY B CA  1 
ATOM   1493 C C   . GLY A 1 175 ? -43.285 1.458   -15.607 1.00 18.17 ? 181 GLY B C   1 
ATOM   1494 O O   . GLY A 1 175 ? -42.771 2.555   -15.516 1.00 20.55 ? 181 GLY B O   1 
ATOM   1495 N N   . GLY A 1 176 ? -42.763 0.362   -15.032 1.00 16.26 ? 182 GLY B N   1 
ATOM   1496 C CA  . GLY A 1 176 ? -41.537 0.433   -14.227 1.00 16.43 ? 182 GLY B CA  1 
ATOM   1497 C C   . GLY A 1 176 ? -40.346 -0.269  -14.895 1.00 16.41 ? 182 GLY B C   1 
ATOM   1498 O O   . GLY A 1 176 ? -39.296 -0.334  -14.225 1.00 18.21 ? 182 GLY B O   1 
ATOM   1499 N N   . ASN A 1 177 ? -40.480 -0.661  -16.159 1.00 14.32 ? 183 ASN B N   1 
ATOM   1500 C CA  . ASN A 1 177 ? -39.376 -1.364  -16.851 1.00 14.71 ? 183 ASN B CA  1 
ATOM   1501 C C   . ASN A 1 177 ? -38.942 -0.671  -18.145 1.00 15.03 ? 183 ASN B C   1 
ATOM   1502 O O   . ASN A 1 177 ? -38.431 -1.347  -19.027 1.00 15.19 ? 183 ASN B O   1 
ATOM   1503 C CB  . ASN A 1 177 ? -39.751 -2.812  -17.135 1.00 14.40 ? 183 ASN B CB  1 
ATOM   1504 C CG  . ASN A 1 177 ? -38.535 -3.672  -17.437 1.00 14.41 ? 183 ASN B CG  1 
ATOM   1505 O OD1 . ASN A 1 177 ? -37.496 -3.443  -16.854 1.00 15.96 ? 183 ASN B OD1 1 
ATOM   1506 N ND2 . ASN A 1 177 ? -38.705 -4.588  -18.368 1.00 14.90 ? 183 ASN B ND2 1 
ATOM   1507 N N   . ALA A 1 178 ? -39.051 0.647   -18.243 1.00 14.26 ? 184 ALA B N   1 
ATOM   1508 C CA  . ALA A 1 178 ? -38.653 1.377   -19.470 1.00 15.25 ? 184 ALA B CA  1 
ATOM   1509 C C   . ALA A 1 178 ? -37.137 1.527   -19.634 1.00 14.80 ? 184 ALA B C   1 
ATOM   1510 O O   . ALA A 1 178 ? -36.709 1.793   -20.788 1.00 16.34 ? 184 ALA B O   1 
ATOM   1511 C CB  . ALA A 1 178 ? -39.282 2.771   -19.448 1.00 15.17 ? 184 ALA B CB  1 
ATOM   1512 N N   . ALA A 1 179 ? -36.379 1.365   -18.552 1.00 15.43 ? 185 ALA B N   1 
ATOM   1513 C CA  . ALA A 1 179 ? -34.932 1.696   -18.594 1.00 15.13 ? 185 ALA B CA  1 
ATOM   1514 C C   . ALA A 1 179 ? -34.220 0.799   -19.612 1.00 15.30 ? 185 ALA B C   1 
ATOM   1515 O O   . ALA A 1 179 ? -34.634 -0.343  -19.872 1.00 14.73 ? 185 ALA B O   1 
ATOM   1516 C CB  . ALA A 1 179 ? -34.337 1.596   -17.234 1.00 15.95 ? 185 ALA B CB  1 
ATOM   1517 N N   . PRO A 1 180 ? -33.142 1.313   -20.239 1.00 15.88 ? 186 PRO B N   1 
ATOM   1518 C CA  . PRO A 1 180 ? -32.398 0.547   -21.239 1.00 14.64 ? 186 PRO B CA  1 
ATOM   1519 C C   . PRO A 1 180 ? -31.472 -0.537  -20.637 1.00 13.94 ? 186 PRO B C   1 
ATOM   1520 O O   . PRO A 1 180 ? -31.135 -0.528  -19.447 1.00 14.92 ? 186 PRO B O   1 
ATOM   1521 C CB  . PRO A 1 180 ? -31.519 1.624   -21.899 1.00 16.50 ? 186 PRO B CB  1 
ATOM   1522 C CG  . PRO A 1 180 ? -31.274 2.614   -20.811 1.00 18.60 ? 186 PRO B CG  1 
ATOM   1523 C CD  . PRO A 1 180 ? -32.592 2.665   -20.052 1.00 17.84 ? 186 PRO B CD  1 
ATOM   1524 N N   . LEU A 1 181 ? -31.097 -1.489  -21.486 1.00 14.26 ? 187 LEU B N   1 
ATOM   1525 C CA  . LEU A 1 181 ? -29.876 -2.277  -21.312 1.00 13.69 ? 187 LEU B CA  1 
ATOM   1526 C C   . LEU A 1 181 ? -28.743 -1.446  -21.932 1.00 14.26 ? 187 LEU B C   1 
ATOM   1527 O O   . LEU A 1 181 ? -28.935 -0.987  -23.099 1.00 16.92 ? 187 LEU B O   1 
ATOM   1528 C CB  . LEU A 1 181 ? -30.029 -3.641  -21.971 1.00 14.61 ? 187 LEU B CB  1 
ATOM   1529 C CG  . LEU A 1 181 ? -31.053 -4.614  -21.368 1.00 15.50 ? 187 LEU B CG  1 
ATOM   1530 C CD1 . LEU A 1 181 ? -31.144 -5.897  -22.195 1.00 16.83 ? 187 LEU B CD1 1 
ATOM   1531 C CD2 . LEU A 1 181 ? -30.702 -4.955  -19.914 1.00 15.80 ? 187 LEU B CD2 1 
ATOM   1532 N N   . LYS A 1 182 ? -27.590 -1.372  -21.293 1.00 14.27 ? 188 LYS B N   1 
ATOM   1533 C CA  . LYS A 1 182 ? -26.428 -0.630  -21.820 1.00 15.26 ? 188 LYS B CA  1 
ATOM   1534 C C   . LYS A 1 182 ? -25.198 -1.514  -21.775 1.00 15.44 ? 188 LYS B C   1 
ATOM   1535 O O   . LYS A 1 182 ? -24.862 -2.030  -20.683 1.00 15.71 ? 188 LYS B O   1 
ATOM   1536 C CB  . LYS A 1 182 ? -26.175 0.654   -21.042 1.00 18.13 ? 188 LYS B CB  1 
ATOM   1537 C CG  . LYS A 1 182 ? -27.352 1.582   -20.879 1.00 22.05 ? 188 LYS B CG  1 
ATOM   1538 C CD  . LYS A 1 182 ? -26.911 2.875   -20.187 1.00 26.54 ? 188 LYS B CD  1 
ATOM   1539 C CE  . LYS A 1 182 ? -28.048 3.807   -19.834 1.00 32.27 ? 188 LYS B CE  1 
ATOM   1540 N NZ  . LYS A 1 182 ? -27.536 4.939   -19.021 1.00 35.35 ? 188 LYS B NZ  1 
ATOM   1541 N N   . LEU A 1 183 ? -24.491 -1.600  -22.879 1.00 16.12 ? 189 LEU B N   1 
ATOM   1542 C CA  . LEU A 1 183 ? -23.153 -2.264  -22.880 1.00 16.02 ? 189 LEU B CA  1 
ATOM   1543 C C   . LEU A 1 183 ? -22.135 -1.326  -22.217 1.00 18.84 ? 189 LEU B C   1 
ATOM   1544 O O   . LEU A 1 183 ? -22.007 -0.155  -22.659 1.00 21.15 ? 189 LEU B O   1 
ATOM   1545 C CB  . LEU A 1 183 ? -22.782 -2.651  -24.311 1.00 16.36 ? 189 LEU B CB  1 
ATOM   1546 C CG  . LEU A 1 183 ? -23.519 -3.903  -24.782 1.00 17.07 ? 189 LEU B CG  1 
ATOM   1547 C CD1 . LEU A 1 183 ? -23.705 -3.976  -26.292 1.00 22.64 ? 189 LEU B CD1 1 
ATOM   1548 C CD2 . LEU A 1 183 ? -22.845 -5.177  -24.239 1.00 15.19 ? 189 LEU B CD2 1 
ATOM   1549 N N   . CYS A 1 184 ? -21.517 -1.787  -21.126 1.00 18.43 ? 190 CYS B N   1 
ATOM   1550 C CA  . CYS A 1 184 ? -20.590 -0.927  -20.315 1.00 20.84 ? 190 CYS B CA  1 
ATOM   1551 C C   . CYS A 1 184 ? -19.231 -0.811  -20.970 1.00 22.98 ? 190 CYS B C   1 
ATOM   1552 O O   . CYS A 1 184 ? -18.700 -1.741  -21.550 1.00 23.87 ? 190 CYS B O   1 
ATOM   1553 C CB  . CYS A 1 184 ? -20.299 -1.506  -18.946 1.00 21.92 ? 190 CYS B CB  1 
ATOM   1554 S SG  . CYS A 1 184 ? -21.753 -2.054  -18.051 1.00 24.54 ? 190 CYS B SG  1 
ATOM   1555 N N   . PRO A 1 185 ? -18.587 0.356   -20.809 1.00 28.88 ? 191 PRO B N   1 
ATOM   1556 C CA  . PRO A 1 185 ? -17.250 0.555   -21.337 1.00 31.75 ? 191 PRO B CA  1 
ATOM   1557 C C   . PRO A 1 185 ? -16.276 -0.427  -20.684 1.00 31.11 ? 191 PRO B C   1 
ATOM   1558 O O   . PRO A 1 185 ? -16.440 -0.742  -19.510 1.00 30.99 ? 191 PRO B O   1 
ATOM   1559 C CB  . PRO A 1 185 ? -16.952 2.038   -21.019 1.00 31.55 ? 191 PRO B CB  1 
ATOM   1560 C CG  . PRO A 1 185 ? -17.944 2.447   -19.945 1.00 33.01 ? 191 PRO B CG  1 
ATOM   1561 C CD  . PRO A 1 185 ? -19.134 1.535   -20.122 1.00 30.21 ? 191 PRO B CD  1 
ATOM   1562 N N   . LEU A 1 186 ? -15.332 -0.879  -21.500 1.00 34.70 ? 192 LEU B N   1 
ATOM   1563 C CA  . LEU A 1 186 ? -14.077 -1.595  -21.167 1.00 40.80 ? 192 LEU B CA  1 
ATOM   1564 C C   . LEU A 1 186 ? -13.224 -0.733  -20.230 1.00 46.43 ? 192 LEU B C   1 
ATOM   1565 O O   . LEU A 1 186 ? -12.496 -1.316  -19.421 1.00 53.71 ? 192 LEU B O   1 
ATOM   1566 C CB  . LEU A 1 186 ? -13.332 -1.843  -22.487 1.00 38.85 ? 192 LEU B CB  1 
HETATM 1567 C C10 . WKG B 2 .   ? -45.293 -7.689  -26.984 0.50 23.31 ? 201 WKG B C10 1 
HETATM 1568 C C13 . WKG B 2 .   ? -42.440 -6.843  -28.110 0.50 24.01 ? 201 WKG B C13 1 
HETATM 1569 C C15 . WKG B 2 .   ? -44.088 -5.454  -26.771 0.50 23.57 ? 201 WKG B C15 1 
HETATM 1570 C C01 . WKG B 2 .   ? -45.960 -2.893  -23.053 0.50 22.53 ? 201 WKG B C01 1 
HETATM 1571 C C02 . WKG B 2 .   ? -45.363 -4.192  -23.491 0.50 21.70 ? 201 WKG B C02 1 
HETATM 1572 C C05 . WKG B 2 .   ? -47.265 -4.485  -25.045 0.50 22.14 ? 201 WKG B C05 1 
HETATM 1573 C C06 . WKG B 2 .   ? -47.053 -4.305  -26.531 0.50 22.60 ? 201 WKG B C06 1 
HETATM 1574 C C07 . WKG B 2 .   ? -46.598 -5.620  -27.148 0.50 22.90 ? 201 WKG B C07 1 
HETATM 1575 C C08 . WKG B 2 .   ? -45.365 -6.244  -26.452 0.50 23.24 ? 201 WKG B C08 1 
HETATM 1576 C C09 . WKG B 2 .   ? -45.576 -6.241  -24.924 0.50 23.12 ? 201 WKG B C09 1 
HETATM 1577 C C11 . WKG B 2 .   ? -44.757 -7.882  -28.398 0.50 23.41 ? 201 WKG B C11 1 
HETATM 1578 C C12 . WKG B 2 .   ? -43.248 -8.063  -28.465 0.50 22.95 ? 201 WKG B C12 1 
HETATM 1579 C C14 . WKG B 2 .   ? -42.781 -6.256  -26.772 0.50 23.58 ? 201 WKG B C14 1 
HETATM 1580 N N04 . WKG B 2 .   ? -46.012 -4.927  -24.424 0.50 22.58 ? 201 WKG B N04 1 
HETATM 1581 O O03 . WKG B 2 .   ? -44.304 -4.569  -22.998 0.50 20.38 ? 201 WKG B O03 1 
HETATM 1582 C C1  . EDO C 3 .   ? -50.602 -16.922 -33.353 1.00 38.56 ? 202 EDO B C1  1 
HETATM 1583 O O1  . EDO C 3 .   ? -49.281 -16.453 -33.260 1.00 32.42 ? 202 EDO B O1  1 
HETATM 1584 C C2  . EDO C 3 .   ? -51.199 -17.070 -32.031 1.00 37.54 ? 202 EDO B C2  1 
HETATM 1585 O O2  . EDO C 3 .   ? -51.366 -15.805 -31.458 1.00 48.24 ? 202 EDO B O2  1 
HETATM 1586 S S   . SO4 D 4 .   ? -40.509 -24.694 -26.221 1.00 45.77 ? 203 SO4 B S   1 
HETATM 1587 O O1  . SO4 D 4 .   ? -39.793 -23.750 -27.017 1.00 28.85 ? 203 SO4 B O1  1 
HETATM 1588 O O2  . SO4 D 4 .   ? -41.522 -25.297 -27.025 1.00 51.03 ? 203 SO4 B O2  1 
HETATM 1589 O O3  . SO4 D 4 .   ? -39.592 -25.707 -25.727 1.00 51.22 ? 203 SO4 B O3  1 
HETATM 1590 O O4  . SO4 D 4 .   ? -41.126 -24.052 -25.090 1.00 48.48 ? 203 SO4 B O4  1 
HETATM 1591 N N1  . EPE E 5 .   ? -39.016 -15.587 -19.794 0.50 26.71 ? 204 EPE B N1  1 
HETATM 1592 C C2  . EPE E 5 .   ? -38.197 -15.297 -18.607 0.50 25.39 ? 204 EPE B C2  1 
HETATM 1593 C C3  . EPE E 5 .   ? -38.300 -13.852 -18.189 0.50 23.13 ? 204 EPE B C3  1 
HETATM 1594 N N4  . EPE E 5 .   ? -37.915 -12.948 -19.280 0.50 22.99 ? 204 EPE B N4  1 
HETATM 1595 C C5  . EPE E 5 .   ? -38.751 -13.231 -20.452 0.50 24.58 ? 204 EPE B C5  1 
HETATM 1596 C C6  . EPE E 5 .   ? -38.617 -14.670 -20.876 0.50 25.62 ? 204 EPE B C6  1 
HETATM 1597 C C7  . EPE E 5 .   ? -37.992 -11.554 -18.829 0.50 22.68 ? 204 EPE B C7  1 
HETATM 1598 C C8  . EPE E 5 .   ? -37.968 -10.520 -19.926 0.50 22.14 ? 204 EPE B C8  1 
HETATM 1599 O O8  . EPE E 5 .   ? -39.244 -10.383 -20.530 0.50 22.72 ? 204 EPE B O8  1 
HETATM 1600 C C9  . EPE E 5 .   ? -38.811 -16.977 -20.221 0.50 28.31 ? 204 EPE B C9  1 
HETATM 1601 C C10 . EPE E 5 .   ? -40.059 -17.843 -20.235 0.50 27.97 ? 204 EPE B C10 1 
HETATM 1602 S S   . EPE E 5 .   ? -39.627 -19.509 -20.660 0.50 29.68 ? 204 EPE B S   1 
HETATM 1603 O O1S . EPE E 5 .   ? -39.819 -20.277 -19.464 0.50 28.80 ? 204 EPE B O1S 1 
HETATM 1604 O O2S . EPE E 5 .   ? -38.304 -19.409 -21.221 0.50 24.53 ? 204 EPE B O2S 1 
HETATM 1605 O O3S . EPE E 5 .   ? -40.673 -19.851 -21.740 0.50 28.89 ? 204 EPE B O3S 1 
HETATM 1606 O O   . HOH F 6 .   ? -26.910 -28.487 -27.899 1.00 24.09 ? 301 HOH B O   1 
HETATM 1607 O O   . HOH F 6 .   ? -33.678 4.919   -16.676 1.00 48.55 ? 302 HOH B O   1 
HETATM 1608 O O   . HOH F 6 .   ? -36.300 5.357   -15.719 1.00 29.12 ? 303 HOH B O   1 
HETATM 1609 O O   . HOH F 6 .   ? -45.941 3.683   -34.202 1.00 27.96 ? 304 HOH B O   1 
HETATM 1610 O O   . HOH F 6 .   ? -38.819 -15.346 -11.714 1.00 38.09 ? 305 HOH B O   1 
HETATM 1611 O O   . HOH F 6 .   ? -40.170 -1.215  -9.947  1.00 38.07 ? 306 HOH B O   1 
HETATM 1612 O O   . HOH F 6 .   ? -33.063 1.032   -33.609 1.00 21.27 ? 307 HOH B O   1 
HETATM 1613 O O   . HOH F 6 .   ? -8.938  -13.567 -25.220 1.00 38.18 ? 308 HOH B O   1 
HETATM 1614 O O   . HOH F 6 .   ? -45.071 7.343   -24.671 1.00 43.03 ? 309 HOH B O   1 
HETATM 1615 O O   . HOH F 6 .   ? -18.770 -22.060 -35.840 1.00 18.90 ? 310 HOH B O   1 
HETATM 1616 O O   . HOH F 6 .   ? -24.579 -30.838 -21.973 1.00 41.50 ? 311 HOH B O   1 
HETATM 1617 O O   . HOH F 6 .   ? -29.795 -12.624 -37.776 1.00 24.84 ? 312 HOH B O   1 
HETATM 1618 O O   . HOH F 6 .   ? -40.018 -11.463 -22.738 1.00 33.64 ? 313 HOH B O   1 
HETATM 1619 O O   . HOH F 6 .   ? -26.400 3.464   -35.311 1.00 34.26 ? 314 HOH B O   1 
HETATM 1620 O O   . HOH F 6 .   ? -19.557 -29.767 -15.493 1.00 30.86 ? 315 HOH B O   1 
HETATM 1621 O O   . HOH F 6 .   ? -35.948 -19.198 -30.469 1.00 45.80 ? 316 HOH B O   1 
HETATM 1622 O O   . HOH F 6 .   ? -15.578 -5.448  -13.783 1.00 35.77 ? 317 HOH B O   1 
HETATM 1623 O O   . HOH F 6 .   ? -13.579 -23.594 -31.631 1.00 17.91 ? 318 HOH B O   1 
HETATM 1624 O O   . HOH F 6 .   ? -38.053 2.746   -22.836 1.00 23.78 ? 319 HOH B O   1 
HETATM 1625 O O   . HOH F 6 .   ? -35.927 -22.533 -19.567 1.00 26.37 ? 320 HOH B O   1 
HETATM 1626 O O   . HOH F 6 .   ? -38.183 0.606   -12.059 1.00 40.69 ? 321 HOH B O   1 
HETATM 1627 O O   . HOH F 6 .   ? -46.921 1.278   -25.523 1.00 39.69 ? 322 HOH B O   1 
HETATM 1628 O O   . HOH F 6 .   ? -45.285 0.216   -11.899 1.00 35.41 ? 323 HOH B O   1 
HETATM 1629 O O   . HOH F 6 .   ? -42.140 1.277   -22.781 1.00 38.74 ? 324 HOH B O   1 
HETATM 1630 O O   . HOH F 6 .   ? -13.694 -20.981 -35.320 1.00 31.14 ? 325 HOH B O   1 
HETATM 1631 O O   . HOH F 6 .   ? -30.915 -6.716  -11.336 1.00 17.35 ? 326 HOH B O   1 
HETATM 1632 O O   . HOH F 6 .   ? -9.545  -18.717 -30.214 1.00 47.99 ? 327 HOH B O   1 
HETATM 1633 O O   . HOH F 6 .   ? -26.108 -22.757 -35.900 1.00 29.86 ? 328 HOH B O   1 
HETATM 1634 O O   . HOH F 6 .   ? -24.005 1.201   -10.882 1.00 38.73 ? 329 HOH B O   1 
HETATM 1635 O O   . HOH F 6 .   ? -12.717 -21.198 -18.857 1.00 29.03 ? 330 HOH B O   1 
HETATM 1636 O O   . HOH F 6 .   ? -45.434 -12.139 -26.547 1.00 38.55 ? 331 HOH B O   1 
HETATM 1637 O O   . HOH F 6 .   ? -21.228 -6.030  -2.176  1.00 43.12 ? 332 HOH B O   1 
HETATM 1638 O O   . HOH F 6 .   ? -35.303 -17.177 -8.163  1.00 48.62 ? 333 HOH B O   1 
HETATM 1639 O O   . HOH F 6 .   ? -37.396 -25.340 -11.294 1.00 40.00 ? 334 HOH B O   1 
HETATM 1640 O O   . HOH F 6 .   ? -17.549 -27.629 -19.665 1.00 19.61 ? 335 HOH B O   1 
HETATM 1641 O O   . HOH F 6 .   ? -38.562 3.780   -13.552 1.00 38.28 ? 336 HOH B O   1 
HETATM 1642 O O   . HOH F 6 .   ? -36.907 -25.942 -23.690 1.00 37.41 ? 337 HOH B O   1 
HETATM 1643 O O   . HOH F 6 .   ? -10.971 -21.266 -25.214 1.00 31.58 ? 338 HOH B O   1 
HETATM 1644 O O   . HOH F 6 .   ? -17.585 -21.342 -12.455 1.00 20.31 ? 339 HOH B O   1 
HETATM 1645 O O   . HOH F 6 .   ? -38.753 -2.622  -21.391 1.00 17.34 ? 340 HOH B O   1 
HETATM 1646 O O   . HOH F 6 .   ? -18.556 -4.634  -24.788 1.00 20.85 ? 341 HOH B O   1 
HETATM 1647 O O   . HOH F 6 .   ? -26.678 1.927   -11.110 1.00 30.21 ? 342 HOH B O   1 
HETATM 1648 O O   . HOH F 6 .   ? -37.173 -16.488 -39.325 1.00 30.18 ? 343 HOH B O   1 
HETATM 1649 O O   . HOH F 6 .   ? -32.367 4.718   -33.050 1.00 24.61 ? 344 HOH B O   1 
HETATM 1650 O O   . HOH F 6 .   ? -41.221 -8.915  -19.385 1.00 19.16 ? 345 HOH B O   1 
HETATM 1651 O O   . HOH F 6 .   ? -30.882 -20.412 -21.351 1.00 14.10 ? 346 HOH B O   1 
HETATM 1652 O O   . HOH F 6 .   ? -38.594 -7.659  -10.762 1.00 19.85 ? 347 HOH B O   1 
HETATM 1653 O O   . HOH F 6 .   ? -42.348 -4.054  -39.414 1.00 25.14 ? 348 HOH B O   1 
HETATM 1654 O O   . HOH F 6 .   ? -16.150 -19.519 -15.742 1.00 27.44 ? 349 HOH B O   1 
HETATM 1655 O O   . HOH F 6 .   ? -49.941 -2.293  -19.361 1.00 38.37 ? 350 HOH B O   1 
HETATM 1656 O O   . HOH F 6 .   ? -26.531 -25.820 -16.362 1.00 18.26 ? 351 HOH B O   1 
HETATM 1657 O O   . HOH F 6 .   ? -10.346 -23.497 -21.810 1.00 32.09 ? 352 HOH B O   1 
HETATM 1658 O O   . HOH F 6 .   ? -36.616 -23.184 -30.791 1.00 31.59 ? 353 HOH B O   1 
HETATM 1659 O O   . HOH F 6 .   ? -34.196 -22.096 -31.357 1.00 19.98 ? 354 HOH B O   1 
HETATM 1660 O O   . HOH F 6 .   ? -25.532 -14.276 -3.317  1.00 38.56 ? 355 HOH B O   1 
HETATM 1661 O O   . HOH F 6 .   ? -17.956 -19.811 -37.542 1.00 33.41 ? 356 HOH B O   1 
HETATM 1662 O O   . HOH F 6 .   ? -34.061 -22.105 -36.264 1.00 45.48 ? 357 HOH B O   1 
HETATM 1663 O O   . HOH F 6 .   ? -19.416 -4.349  -22.104 1.00 18.73 ? 358 HOH B O   1 
HETATM 1664 O O   . HOH F 6 .   ? -23.410 4.369   -24.755 1.00 28.00 ? 359 HOH B O   1 
HETATM 1665 O O   . HOH F 6 .   ? -32.829 -18.303 -37.258 1.00 40.43 ? 360 HOH B O   1 
HETATM 1666 O O   . HOH F 6 .   ? -45.129 -7.890  -39.068 1.00 19.22 ? 361 HOH B O   1 
HETATM 1667 O O   . HOH F 6 .   ? -30.287 -24.019 -34.046 1.00 25.40 ? 362 HOH B O   1 
HETATM 1668 O O   . HOH F 6 .   ? -41.173 -9.434  -36.636 1.00 32.89 ? 363 HOH B O   1 
HETATM 1669 O O   . HOH F 6 .   ? -12.919 -18.498 -34.891 1.00 36.08 ? 364 HOH B O   1 
HETATM 1670 O O   . HOH F 6 .   ? -36.359 -1.970  -33.908 1.00 25.49 ? 365 HOH B O   1 
HETATM 1671 O O   . HOH F 6 .   ? -45.825 -14.732 -27.415 1.00 36.59 ? 366 HOH B O   1 
HETATM 1672 O O   . HOH F 6 .   ? -30.781 1.113   -17.143 1.00 30.64 ? 367 HOH B O   1 
HETATM 1673 O O   . HOH F 6 .   ? -23.231 2.314   -23.156 1.00 32.32 ? 368 HOH B O   1 
HETATM 1674 O O   . HOH F 6 .   ? -27.170 -20.275 -6.958  1.00 18.82 ? 369 HOH B O   1 
HETATM 1675 O O   . HOH F 6 .   ? -15.186 -19.758 -37.593 1.00 31.97 ? 370 HOH B O   1 
HETATM 1676 O O   . HOH F 6 .   ? -42.634 -5.882  -12.356 1.00 29.35 ? 371 HOH B O   1 
HETATM 1677 O O   . HOH F 6 .   ? -19.874 1.782   -30.644 1.00 34.84 ? 372 HOH B O   1 
HETATM 1678 O O   . HOH F 6 .   ? -47.168 -17.079 -31.520 1.00 19.51 ? 373 HOH B O   1 
HETATM 1679 O O   . HOH F 6 .   ? -40.463 -14.473 -31.273 1.00 16.31 ? 374 HOH B O   1 
HETATM 1680 O O   . HOH F 6 .   ? -19.427 -26.211 -31.869 1.00 19.71 ? 375 HOH B O   1 
HETATM 1681 O O   . HOH F 6 .   ? -32.409 -5.054  -12.963 1.00 15.02 ? 376 HOH B O   1 
HETATM 1682 O O   . HOH F 6 .   ? -40.864 -14.572 -8.552  1.00 30.71 ? 377 HOH B O   1 
HETATM 1683 O O   . HOH F 6 .   ? -26.764 -17.681 -7.759  1.00 19.33 ? 378 HOH B O   1 
HETATM 1684 O O   . HOH F 6 .   ? -36.582 -1.012  -22.176 1.00 16.44 ? 379 HOH B O   1 
HETATM 1685 O O   . HOH F 6 .   ? -20.946 -16.358 -5.542  1.00 18.79 ? 380 HOH B O   1 
HETATM 1686 O O   . HOH F 6 .   ? -16.691 -5.562  -9.499  1.00 36.13 ? 381 HOH B O   1 
HETATM 1687 O O   . HOH F 6 .   ? -14.616 -16.658 -33.320 1.00 32.40 ? 382 HOH B O   1 
HETATM 1688 O O   . HOH F 6 .   ? -41.700 -7.620  -3.737  1.00 48.77 ? 383 HOH B O   1 
HETATM 1689 O O   . HOH F 6 .   ? -35.839 -3.729  -10.106 1.00 52.00 ? 384 HOH B O   1 
HETATM 1690 O O   . HOH F 6 .   ? -35.668 -4.880  -42.204 1.00 24.73 ? 385 HOH B O   1 
HETATM 1691 O O   . HOH F 6 .   ? -24.078 -12.406 -6.628  1.00 19.84 ? 386 HOH B O   1 
HETATM 1692 O O   . HOH F 6 .   ? -33.417 -14.948 -7.024  1.00 24.60 ? 387 HOH B O   1 
HETATM 1693 O O   . HOH F 6 .   ? -19.111 -29.127 -23.452 1.00 27.58 ? 388 HOH B O   1 
HETATM 1694 O O   . HOH F 6 .   ? -37.104 0.875   -15.645 1.00 19.39 ? 389 HOH B O   1 
HETATM 1695 O O   . HOH F 6 .   ? -18.352 -17.391 -36.343 1.00 28.18 ? 390 HOH B O   1 
HETATM 1696 O O   . HOH F 6 .   ? -23.850 -21.092 -38.815 1.00 24.03 ? 391 HOH B O   1 
HETATM 1697 O O   . HOH F 6 .   ? -41.199 -8.510  -13.464 1.00 23.48 ? 392 HOH B O   1 
HETATM 1698 O O   . HOH F 6 .   ? -25.387 -10.532 -23.637 1.00 15.99 ? 393 HOH B O   1 
HETATM 1699 O O   . HOH F 6 .   ? -36.667 -0.446  -42.475 1.00 38.02 ? 394 HOH B O   1 
HETATM 1700 O O   . HOH F 6 .   ? -45.826 -19.788 -31.611 1.00 29.49 ? 395 HOH B O   1 
HETATM 1701 O O   . HOH F 6 .   ? -41.143 -6.024  -38.059 1.00 38.56 ? 396 HOH B O   1 
HETATM 1702 O O   . HOH F 6 .   ? -9.409  -16.114 -26.576 1.00 29.44 ? 397 HOH B O   1 
HETATM 1703 O O   . HOH F 6 .   ? -9.292  -20.745 -29.009 1.00 45.33 ? 398 HOH B O   1 
HETATM 1704 O O   . HOH F 6 .   ? -46.063 -4.357  -34.102 1.00 30.33 ? 399 HOH B O   1 
HETATM 1705 O O   . HOH F 6 .   ? -27.852 -27.730 -25.710 1.00 33.51 ? 400 HOH B O   1 
HETATM 1706 O O   . HOH F 6 .   ? -25.805 -27.067 -23.868 1.00 19.37 ? 401 HOH B O   1 
HETATM 1707 O O   . HOH F 6 .   ? -31.597 3.388   -26.949 1.00 27.89 ? 402 HOH B O   1 
HETATM 1708 O O   . HOH F 6 .   ? -24.893 -15.069 -6.900  1.00 18.38 ? 403 HOH B O   1 
HETATM 1709 O O   . HOH F 6 .   ? -33.596 -1.974  -38.421 1.00 26.34 ? 404 HOH B O   1 
HETATM 1710 O O   . HOH F 6 .   ? -29.085 7.696   -30.224 1.00 32.44 ? 405 HOH B O   1 
HETATM 1711 O O   . HOH F 6 .   ? -34.805 -9.036  -6.129  1.00 48.51 ? 406 HOH B O   1 
HETATM 1712 O O   . HOH F 6 .   ? -24.892 -11.140 -4.248  1.00 25.92 ? 407 HOH B O   1 
HETATM 1713 O O   . HOH F 6 .   ? -24.571 -4.499  -36.972 1.00 38.27 ? 408 HOH B O   1 
HETATM 1714 O O   . HOH F 6 .   ? -30.823 -17.406 -42.818 1.00 37.24 ? 409 HOH B O   1 
HETATM 1715 O O   . HOH F 6 .   ? -18.064 -16.031 -6.128  1.00 24.89 ? 410 HOH B O   1 
HETATM 1716 O O   . HOH F 6 .   ? -40.880 6.281   -33.321 1.00 35.70 ? 411 HOH B O   1 
HETATM 1717 O O   . HOH F 6 .   ? -43.247 3.637   -18.767 1.00 23.12 ? 412 HOH B O   1 
HETATM 1718 O O   . HOH F 6 .   ? -31.161 3.994   -24.486 1.00 27.87 ? 413 HOH B O   1 
HETATM 1719 O O   . HOH F 6 .   ? -18.052 -11.196 -35.738 1.00 28.64 ? 414 HOH B O   1 
HETATM 1720 O O   . HOH F 6 .   ? -42.507 -5.116  -43.779 1.00 25.62 ? 415 HOH B O   1 
HETATM 1721 O O   . HOH F 6 .   ? -40.562 -7.595  -34.628 1.00 25.36 ? 416 HOH B O   1 
HETATM 1722 O O   . HOH F 6 .   ? -41.327 5.419   -28.711 1.00 36.70 ? 417 HOH B O   1 
HETATM 1723 O O   . HOH F 6 .   ? -16.039 -14.766 -8.663  1.00 34.23 ? 418 HOH B O   1 
HETATM 1724 O O   . HOH F 6 .   ? -13.248 -6.348  -29.326 1.00 34.40 ? 419 HOH B O   1 
HETATM 1725 O O   . HOH F 6 .   ? -34.398 -7.150  -7.843  1.00 37.05 ? 420 HOH B O   1 
HETATM 1726 O O   . HOH F 6 .   ? -52.558 -14.135 -29.073 1.00 52.74 ? 421 HOH B O   1 
HETATM 1727 O O   . HOH F 6 .   ? -25.418 6.908   -28.936 1.00 30.24 ? 422 HOH B O   1 
HETATM 1728 O O   . HOH F 6 .   ? -16.035 -12.180 -5.693  1.00 52.06 ? 423 HOH B O   1 
HETATM 1729 O O   . HOH F 6 .   ? -47.786 0.000   -32.820 0.50 26.12 ? 424 HOH B O   1 
HETATM 1730 O O   . HOH F 6 .   ? -19.896 2.351   -24.016 1.00 41.68 ? 425 HOH B O   1 
HETATM 1731 O O   . HOH F 6 .   ? -44.141 -0.714  -24.566 1.00 39.65 ? 426 HOH B O   1 
HETATM 1732 O O   . HOH F 6 .   ? -32.881 -23.623 -33.522 1.00 33.24 ? 427 HOH B O   1 
HETATM 1733 O O   . HOH F 6 .   ? -36.787 -6.748  -8.841  1.00 38.81 ? 428 HOH B O   1 
HETATM 1734 O O   . HOH F 6 .   ? -16.076 -7.358  -11.332 1.00 35.35 ? 429 HOH B O   1 
HETATM 1735 O O   . HOH F 6 .   ? -26.108 -28.409 -21.572 1.00 44.04 ? 430 HOH B O   1 
HETATM 1736 O O   . HOH F 6 .   ? -21.944 6.907   -32.256 1.00 36.21 ? 431 HOH B O   1 
HETATM 1737 O O   . HOH F 6 .   ? -8.288  -23.212 -30.124 1.00 34.03 ? 432 HOH B O   1 
HETATM 1738 O O   . HOH F 6 .   ? -40.226 5.057   -21.971 1.00 40.39 ? 433 HOH B O   1 
HETATM 1739 O O   . HOH F 6 .   ? -22.905 3.347   -20.725 1.00 43.12 ? 434 HOH B O   1 
HETATM 1740 O O   . HOH F 6 .   ? -41.739 -9.843  -44.037 1.00 41.38 ? 435 HOH B O   1 
HETATM 1741 O O   . HOH F 6 .   ? -15.882 -22.164 -14.630 1.00 34.27 ? 436 HOH B O   1 
HETATM 1742 O O   . HOH F 6 .   ? -42.099 -13.176 -22.477 1.00 41.31 ? 437 HOH B O   1 
HETATM 1743 O O   . HOH F 6 .   ? -28.360 -27.840 -16.779 1.00 28.44 ? 438 HOH B O   1 
HETATM 1744 O O   . HOH F 6 .   ? -39.088 -16.903 -40.979 1.00 41.41 ? 439 HOH B O   1 
HETATM 1745 O O   . HOH F 6 .   ? -16.027 -26.919 -17.209 1.00 41.04 ? 440 HOH B O   1 
HETATM 1746 O O   . HOH F 6 .   ? -26.342 -31.251 -24.004 1.00 32.73 ? 441 HOH B O   1 
# 
