data_7HNC
# 
_entry.id   7HNC 
# 
_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   7HNC         pdb_00007hnc 10.2210/pdb7hnc/pdb 
WWPDB D_1001407690 ?            ?                   
# 
_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                        7HNC 
_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 'N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanecarboxamide' 190.242   1   ?        ? ? ? 
3 non-polymer syn 1,2-ETHANEDIOL                                          62.068    1   ?        ? ? ? 
4 non-polymer syn 'SULFATE ION'                                           96.063    1   ?        ? ? ? 
5 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 'N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanecarboxamide' TV9 
3 1,2-ETHANEDIOL                                          EDO 
4 'SULFATE ION'                                           SO4 
5 water                                                   HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   HIS n 
1 3   HIS n 
1 4   HIS n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   MET n 
1 9   VAL n 
1 10  HIS n 
1 11  ILE n 
1 12  THR n 
1 13  LEU n 
1 14  ASP n 
1 15  ARG n 
1 16  ASN n 
1 17  THR n 
1 18  ALA n 
1 19  ASN n 
1 20  SER n 
1 21  TRP n 
1 22  LEU n 
1 23  ILE n 
1 24  ILE n 
1 25  SER n 
1 26  LYS n 
1 27  ASP n 
1 28  ARG n 
1 29  ARG n 
1 30  GLN n 
1 31  VAL n 
1 32  ARG n 
1 33  MET n 
1 34  GLY n 
1 35  ASP n 
1 36  THR n 
1 37  HIS n 
1 38  GLN n 
1 39  ASN n 
1 40  VAL n 
1 41  SER n 
1 42  ASP n 
1 43  ASN n 
1 44  LYS n 
1 45  GLU n 
1 46  ARG n 
1 47  PHE n 
1 48  SER n 
1 49  ASN n 
1 50  TYR n 
1 51  PRO n 
1 52  MET n 
1 53  VAL n 
1 54  LEU n 
1 55  GLY n 
1 56  ALA n 
1 57  GLN n 
1 58  ARG n 
1 59  PHE n 
1 60  SER n 
1 61  SER n 
1 62  GLY n 
1 63  LYS n 
1 64  MET n 
1 65  TYR n 
1 66  TRP n 
1 67  GLU n 
1 68  VAL n 
1 69  ASP n 
1 70  VAL n 
1 71  THR n 
1 72  GLN n 
1 73  LYS n 
1 74  GLU n 
1 75  ALA n 
1 76  TRP n 
1 77  ASP n 
1 78  LEU n 
1 79  GLY n 
1 80  VAL n 
1 81  CYS n 
1 82  ARG n 
1 83  ASP n 
1 84  SER n 
1 85  VAL n 
1 86  GLN n 
1 87  ARG n 
1 88  LYS n 
1 89  GLY n 
1 90  GLN n 
1 91  PHE n 
1 92  SER n 
1 93  LEU n 
1 94  SER n 
1 95  PRO n 
1 96  GLU n 
1 97  ASN n 
1 98  GLY n 
1 99  PHE n 
1 100 TRP n 
1 101 THR n 
1 102 ILE n 
1 103 TRP n 
1 104 LEU n 
1 105 TRP n 
1 106 GLN n 
1 107 ASP n 
1 108 SER n 
1 109 TYR n 
1 110 GLU n 
1 111 ALA n 
1 112 GLY n 
1 113 THR n 
1 114 SER n 
1 115 PRO n 
1 116 GLN n 
1 117 THR n 
1 118 THR n 
1 119 LEU n 
1 120 HIS n 
1 121 ILE n 
1 122 GLN n 
1 123 VAL n 
1 124 PRO n 
1 125 PRO n 
1 126 CYS n 
1 127 GLN n 
1 128 ILE n 
1 129 GLY n 
1 130 ILE n 
1 131 PHE n 
1 132 VAL n 
1 133 ASP n 
1 134 TYR n 
1 135 GLU n 
1 136 ALA n 
1 137 GLY n 
1 138 VAL n 
1 139 VAL n 
1 140 SER n 
1 141 PHE n 
1 142 TYR n 
1 143 ASN n 
1 144 ILE n 
1 145 THR n 
1 146 ASP n 
1 147 HIS n 
1 148 GLY n 
1 149 SER n 
1 150 LEU n 
1 151 ILE n 
1 152 TYR n 
1 153 THR n 
1 154 PHE n 
1 155 SER n 
1 156 GLU n 
1 157 CYS n 
1 158 VAL n 
1 159 PHE n 
1 160 ALA n 
1 161 GLY n 
1 162 PRO n 
1 163 LEU n 
1 164 ARG n 
1 165 PRO n 
1 166 PHE n 
1 167 PHE n 
1 168 ASN n 
1 169 VAL n 
1 170 GLY n 
1 171 PHE n 
1 172 ASN n 
1 173 TYR n 
1 174 SER n 
1 175 GLY n 
1 176 GLY n 
1 177 ASN n 
1 178 ALA n 
1 179 ALA n 
1 180 PRO n 
1 181 LEU n 
1 182 LYS n 
1 183 LEU n 
1 184 CYS n 
1 185 PRO n 
1 186 LEU n 
1 187 LYS n 
1 188 MET n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   188 
_entity_src_gen.gene_src_common_name               'house mouse' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'Trim21, Ro52, Ssa1' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Mus musculus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     10090 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE                                                 ?                 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE                                                ?                 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE                                              ?                 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'                                         ?                 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE                                                ?                 'C3 H7 N O2 S'   121.158 
EDO non-polymer         . 1,2-ETHANEDIOL                                          'ETHYLENE GLYCOL' 'C2 H6 O2'       62.068  
GLN 'L-peptide linking' y GLUTAMINE                                               ?                 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'                                         ?                 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE                                                 ?                 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE                                               ?                 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER                                                   ?                 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE                                              ?                 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE                                                 ?                 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE                                                  ?                 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE                                              ?                 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE                                           ?                 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE                                                 ?                 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE                                                  ?                 'C3 H7 N O3'     105.093 
SO4 non-polymer         . 'SULFATE ION'                                           ?                 'O4 S -2'        96.063  
THR 'L-peptide linking' y THREONINE                                               ?                 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN                                              ?                 'C11 H12 N2 O2'  204.225 
TV9 non-polymer         . 'N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanecarboxamide' ?                 'C11 H14 N2 O'   190.242 
TYR 'L-peptide linking' y TYROSINE                                                ?                 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE                                                  ?                 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   MET 1   7   ?   ?   ?   B . n 
A 1 2   HIS 2   8   8   HIS HIS B . n 
A 1 3   HIS 3   9   9   HIS HIS B . n 
A 1 4   HIS 4   10  10  HIS HIS B . n 
A 1 5   HIS 5   11  11  HIS HIS B . n 
A 1 6   HIS 6   12  12  HIS HIS B . n 
A 1 7   HIS 7   13  13  HIS HIS B . n 
A 1 8   MET 8   14  14  MET MET B . n 
A 1 9   VAL 9   15  15  VAL VAL B . n 
A 1 10  HIS 10  16  16  HIS HIS B . n 
A 1 11  ILE 11  17  17  ILE ILE B . n 
A 1 12  THR 12  18  18  THR THR B . n 
A 1 13  LEU 13  19  19  LEU LEU B . n 
A 1 14  ASP 14  20  20  ASP ASP B . n 
A 1 15  ARG 15  21  21  ARG ARG B . n 
A 1 16  ASN 16  22  22  ASN ASN B . n 
A 1 17  THR 17  23  23  THR THR B . n 
A 1 18  ALA 18  24  24  ALA ALA B . n 
A 1 19  ASN 19  25  25  ASN ASN B . n 
A 1 20  SER 20  26  26  SER SER B . n 
A 1 21  TRP 21  27  27  TRP TRP B . n 
A 1 22  LEU 22  28  28  LEU LEU B . n 
A 1 23  ILE 23  29  29  ILE ILE B . n 
A 1 24  ILE 24  30  30  ILE ILE B . n 
A 1 25  SER 25  31  31  SER SER B . n 
A 1 26  LYS 26  32  32  LYS LYS B . n 
A 1 27  ASP 27  33  33  ASP ASP B . n 
A 1 28  ARG 28  34  34  ARG ARG B . n 
A 1 29  ARG 29  35  35  ARG ARG B . n 
A 1 30  GLN 30  36  36  GLN GLN B . n 
A 1 31  VAL 31  37  37  VAL VAL B . n 
A 1 32  ARG 32  38  38  ARG ARG B . n 
A 1 33  MET 33  39  39  MET MET B . n 
A 1 34  GLY 34  40  40  GLY GLY B . n 
A 1 35  ASP 35  41  41  ASP ASP B . n 
A 1 36  THR 36  42  42  THR THR B . n 
A 1 37  HIS 37  43  43  HIS HIS B . n 
A 1 38  GLN 38  44  44  GLN GLN B . n 
A 1 39  ASN 39  45  45  ASN ASN B . n 
A 1 40  VAL 40  46  46  VAL VAL B . n 
A 1 41  SER 41  47  47  SER SER B . n 
A 1 42  ASP 42  48  48  ASP ASP B . n 
A 1 43  ASN 43  49  49  ASN ASN B . n 
A 1 44  LYS 44  50  50  LYS LYS B . n 
A 1 45  GLU 45  51  51  GLU GLU B . n 
A 1 46  ARG 46  52  52  ARG ARG B . n 
A 1 47  PHE 47  53  53  PHE PHE B . n 
A 1 48  SER 48  54  54  SER SER B . n 
A 1 49  ASN 49  55  55  ASN ASN B . n 
A 1 50  TYR 50  56  56  TYR TYR B . n 
A 1 51  PRO 51  57  57  PRO PRO B . n 
A 1 52  MET 52  58  58  MET MET B . n 
A 1 53  VAL 53  59  59  VAL VAL B . n 
A 1 54  LEU 54  60  60  LEU LEU B . n 
A 1 55  GLY 55  61  61  GLY GLY B . n 
A 1 56  ALA 56  62  62  ALA ALA B . n 
A 1 57  GLN 57  63  63  GLN GLN B . n 
A 1 58  ARG 58  64  64  ARG ARG B . n 
A 1 59  PHE 59  65  65  PHE PHE B . n 
A 1 60  SER 60  66  66  SER SER B . n 
A 1 61  SER 61  67  67  SER SER B . n 
A 1 62  GLY 62  68  68  GLY GLY B . n 
A 1 63  LYS 63  69  69  LYS LYS B . n 
A 1 64  MET 64  70  70  MET MET B . n 
A 1 65  TYR 65  71  71  TYR TYR B . n 
A 1 66  TRP 66  72  72  TRP TRP B . n 
A 1 67  GLU 67  73  73  GLU GLU B . n 
A 1 68  VAL 68  74  74  VAL VAL B . n 
A 1 69  ASP 69  75  75  ASP ASP B . n 
A 1 70  VAL 70  76  76  VAL VAL B . n 
A 1 71  THR 71  77  77  THR THR B . n 
A 1 72  GLN 72  78  78  GLN GLN B . n 
A 1 73  LYS 73  79  79  LYS LYS B . n 
A 1 74  GLU 74  80  80  GLU GLU B . n 
A 1 75  ALA 75  81  81  ALA ALA B . n 
A 1 76  TRP 76  82  82  TRP TRP B . n 
A 1 77  ASP 77  83  83  ASP ASP B . n 
A 1 78  LEU 78  84  84  LEU LEU B . n 
A 1 79  GLY 79  85  85  GLY GLY B . n 
A 1 80  VAL 80  86  86  VAL VAL B . n 
A 1 81  CYS 81  87  87  CYS CYS B . n 
A 1 82  ARG 82  88  88  ARG ARG B . n 
A 1 83  ASP 83  89  89  ASP ASP B . n 
A 1 84  SER 84  90  90  SER SER B . n 
A 1 85  VAL 85  91  91  VAL VAL B . n 
A 1 86  GLN 86  92  92  GLN GLN B . n 
A 1 87  ARG 87  93  93  ARG ARG B . n 
A 1 88  LYS 88  94  94  LYS LYS B . n 
A 1 89  GLY 89  95  95  GLY GLY B . n 
A 1 90  GLN 90  96  96  GLN GLN B . n 
A 1 91  PHE 91  97  97  PHE PHE B . n 
A 1 92  SER 92  98  98  SER SER B . n 
A 1 93  LEU 93  99  99  LEU LEU B . n 
A 1 94  SER 94  100 100 SER SER B . n 
A 1 95  PRO 95  101 101 PRO PRO B . n 
A 1 96  GLU 96  102 102 GLU GLU B . n 
A 1 97  ASN 97  103 103 ASN ASN B . n 
A 1 98  GLY 98  104 104 GLY GLY B . n 
A 1 99  PHE 99  105 105 PHE PHE B . n 
A 1 100 TRP 100 106 106 TRP TRP B . n 
A 1 101 THR 101 107 107 THR THR B . n 
A 1 102 ILE 102 108 108 ILE ILE B . n 
A 1 103 TRP 103 109 109 TRP TRP B . n 
A 1 104 LEU 104 110 110 LEU LEU B . n 
A 1 105 TRP 105 111 111 TRP TRP B . n 
A 1 106 GLN 106 112 112 GLN GLN B . n 
A 1 107 ASP 107 113 113 ASP ASP B . n 
A 1 108 SER 108 114 114 SER SER B . n 
A 1 109 TYR 109 115 115 TYR TYR B . n 
A 1 110 GLU 110 116 116 GLU GLU B . n 
A 1 111 ALA 111 117 117 ALA ALA B . n 
A 1 112 GLY 112 118 118 GLY GLY B . n 
A 1 113 THR 113 119 119 THR THR B . n 
A 1 114 SER 114 120 120 SER SER B . n 
A 1 115 PRO 115 121 121 PRO PRO B . n 
A 1 116 GLN 116 122 122 GLN GLN B . n 
A 1 117 THR 117 123 123 THR THR B . n 
A 1 118 THR 118 124 124 THR THR B . n 
A 1 119 LEU 119 125 125 LEU LEU B . n 
A 1 120 HIS 120 126 126 HIS HIS B . n 
A 1 121 ILE 121 127 127 ILE ILE B . n 
A 1 122 GLN 122 128 128 GLN GLN B . n 
A 1 123 VAL 123 129 129 VAL VAL B . n 
A 1 124 PRO 124 130 130 PRO PRO B . n 
A 1 125 PRO 125 131 131 PRO PRO B . n 
A 1 126 CYS 126 132 132 CYS CYS B . n 
A 1 127 GLN 127 133 133 GLN GLN B . n 
A 1 128 ILE 128 134 134 ILE ILE B . n 
A 1 129 GLY 129 135 135 GLY GLY B . n 
A 1 130 ILE 130 136 136 ILE ILE B . n 
A 1 131 PHE 131 137 137 PHE PHE B . n 
A 1 132 VAL 132 138 138 VAL VAL B . n 
A 1 133 ASP 133 139 139 ASP ASP B . n 
A 1 134 TYR 134 140 140 TYR TYR B . n 
A 1 135 GLU 135 141 141 GLU GLU B . n 
A 1 136 ALA 136 142 142 ALA ALA B . n 
A 1 137 GLY 137 143 143 GLY GLY B . n 
A 1 138 VAL 138 144 144 VAL VAL B . n 
A 1 139 VAL 139 145 145 VAL VAL B . n 
A 1 140 SER 140 146 146 SER SER B . n 
A 1 141 PHE 141 147 147 PHE PHE B . n 
A 1 142 TYR 142 148 148 TYR TYR B . n 
A 1 143 ASN 143 149 149 ASN ASN B . n 
A 1 144 ILE 144 150 150 ILE ILE B . n 
A 1 145 THR 145 151 151 THR THR B . n 
A 1 146 ASP 146 152 152 ASP ASP B . n 
A 1 147 HIS 147 153 153 HIS HIS B . n 
A 1 148 GLY 148 154 154 GLY GLY B . n 
A 1 149 SER 149 155 155 SER SER B . n 
A 1 150 LEU 150 156 156 LEU LEU B . n 
A 1 151 ILE 151 157 157 ILE ILE B . n 
A 1 152 TYR 152 158 158 TYR TYR B . n 
A 1 153 THR 153 159 159 THR THR B . n 
A 1 154 PHE 154 160 160 PHE PHE B . n 
A 1 155 SER 155 161 161 SER SER B . n 
A 1 156 GLU 156 162 162 GLU GLU B . n 
A 1 157 CYS 157 163 163 CYS CYS B . n 
A 1 158 VAL 158 164 164 VAL VAL B . n 
A 1 159 PHE 159 165 165 PHE PHE B . n 
A 1 160 ALA 160 166 166 ALA ALA B . n 
A 1 161 GLY 161 167 167 GLY GLY B . n 
A 1 162 PRO 162 168 168 PRO PRO B . n 
A 1 163 LEU 163 169 169 LEU LEU B . n 
A 1 164 ARG 164 170 170 ARG ARG B . n 
A 1 165 PRO 165 171 171 PRO PRO B . n 
A 1 166 PHE 166 172 172 PHE PHE B . n 
A 1 167 PHE 167 173 173 PHE PHE B . n 
A 1 168 ASN 168 174 174 ASN ASN B . n 
A 1 169 VAL 169 175 175 VAL VAL B . n 
A 1 170 GLY 170 176 176 GLY GLY B . n 
A 1 171 PHE 171 177 177 PHE PHE B . n 
A 1 172 ASN 172 178 178 ASN ASN B . n 
A 1 173 TYR 173 179 179 TYR TYR B . n 
A 1 174 SER 174 180 180 SER SER B . n 
A 1 175 GLY 175 181 181 GLY GLY B . n 
A 1 176 GLY 176 182 182 GLY GLY B . n 
A 1 177 ASN 177 183 183 ASN ASN B . n 
A 1 178 ALA 178 184 184 ALA ALA B . n 
A 1 179 ALA 179 185 185 ALA ALA B . n 
A 1 180 PRO 180 186 186 PRO PRO B . n 
A 1 181 LEU 181 187 187 LEU LEU B . n 
A 1 182 LYS 182 188 188 LYS LYS B . n 
A 1 183 LEU 183 189 189 LEU LEU B . n 
A 1 184 CYS 184 190 190 CYS CYS B . n 
A 1 185 PRO 185 191 191 PRO PRO B . n 
A 1 186 LEU 186 192 192 LEU LEU B . n 
A 1 187 LYS 187 193 ?   ?   ?   B . n 
A 1 188 MET 188 194 ?   ?   ?   B . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        TV9 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   TV9 
_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 TV9 1   201 302 TV9 LIG B . 
C 3 EDO 1   202 305 EDO EDO B . 
D 4 SO4 1   203 1   SO4 SO4 B . 
E 5 HOH 1   301 2   HOH HOH B . 
E 5 HOH 2   302 107 HOH HOH B . 
E 5 HOH 3   303 29  HOH HOH B . 
E 5 HOH 4   304 11  HOH HOH B . 
E 5 HOH 5   305 12  HOH HOH B . 
E 5 HOH 6   306 26  HOH HOH B . 
E 5 HOH 7   307 21  HOH HOH B . 
E 5 HOH 8   308 40  HOH HOH B . 
E 5 HOH 9   309 51  HOH HOH B . 
E 5 HOH 10  310 1   HOH HOH B . 
E 5 HOH 11  311 102 HOH HOH B . 
E 5 HOH 12  312 10  HOH HOH B . 
E 5 HOH 13  313 16  HOH HOH B . 
E 5 HOH 14  314 34  HOH HOH B . 
E 5 HOH 15  315 90  HOH HOH B . 
E 5 HOH 16  316 5   HOH HOH B . 
E 5 HOH 17  317 9   HOH HOH B . 
E 5 HOH 18  318 214 HOH HOH B . 
E 5 HOH 19  319 281 HOH HOH B . 
E 5 HOH 20  320 11  HOH HOH B . 
E 5 HOH 21  321 27  HOH HOH B . 
E 5 HOH 22  322 95  HOH HOH B . 
E 5 HOH 23  323 70  HOH HOH B . 
E 5 HOH 24  324 18  HOH HOH B . 
E 5 HOH 25  325 36  HOH HOH B . 
E 5 HOH 26  326 26  HOH HOH B . 
E 5 HOH 27  327 25  HOH HOH B . 
E 5 HOH 28  328 27  HOH HOH B . 
E 5 HOH 29  329 4   HOH HOH B . 
E 5 HOH 30  330 20  HOH HOH B . 
E 5 HOH 31  331 39  HOH HOH B . 
E 5 HOH 32  332 7   HOH HOH B . 
E 5 HOH 33  333 33  HOH HOH B . 
E 5 HOH 34  334 2   HOH HOH B . 
E 5 HOH 35  335 66  HOH HOH B . 
E 5 HOH 36  336 16  HOH HOH B . 
E 5 HOH 37  337 29  HOH HOH B . 
E 5 HOH 38  338 267 HOH HOH B . 
E 5 HOH 39  339 184 HOH HOH B . 
E 5 HOH 40  340 22  HOH HOH B . 
E 5 HOH 41  341 55  HOH HOH B . 
E 5 HOH 42  342 58  HOH HOH B . 
E 5 HOH 43  343 4   HOH HOH B . 
E 5 HOH 44  344 31  HOH HOH B . 
E 5 HOH 45  345 50  HOH HOH B . 
E 5 HOH 46  346 63  HOH HOH B . 
E 5 HOH 47  347 68  HOH HOH B . 
E 5 HOH 48  348 72  HOH HOH B . 
E 5 HOH 49  349 81  HOH HOH B . 
E 5 HOH 50  350 1   HOH HOH B . 
E 5 HOH 51  351 3   HOH HOH B . 
E 5 HOH 52  352 89  HOH HOH B . 
E 5 HOH 53  353 80  HOH HOH B . 
E 5 HOH 54  354 86  HOH HOH B . 
E 5 HOH 55  355 28  HOH HOH B . 
E 5 HOH 56  356 17  HOH HOH B . 
E 5 HOH 57  357 137 HOH HOH B . 
E 5 HOH 58  358 114 HOH HOH B . 
E 5 HOH 59  359 10  HOH HOH B . 
E 5 HOH 60  360 19  HOH HOH B . 
E 5 HOH 61  361 43  HOH HOH B . 
E 5 HOH 62  362 71  HOH HOH B . 
E 5 HOH 63  363 6   HOH HOH B . 
E 5 HOH 64  364 76  HOH HOH B . 
E 5 HOH 65  365 172 HOH HOH B . 
E 5 HOH 66  366 61  HOH HOH B . 
E 5 HOH 67  367 46  HOH HOH B . 
E 5 HOH 68  368 126 HOH HOH B . 
E 5 HOH 69  369 47  HOH HOH B . 
E 5 HOH 70  370 157 HOH HOH B . 
E 5 HOH 71  371 125 HOH HOH B . 
E 5 HOH 72  372 62  HOH HOH B . 
E 5 HOH 73  373 8   HOH HOH B . 
E 5 HOH 74  374 93  HOH HOH B . 
E 5 HOH 75  375 15  HOH HOH B . 
E 5 HOH 76  376 32  HOH HOH B . 
E 5 HOH 77  377 100 HOH HOH B . 
E 5 HOH 78  378 14  HOH HOH B . 
E 5 HOH 79  379 156 HOH HOH B . 
E 5 HOH 80  380 64  HOH HOH B . 
E 5 HOH 81  381 24  HOH HOH B . 
E 5 HOH 82  382 13  HOH HOH B . 
E 5 HOH 83  383 57  HOH HOH B . 
E 5 HOH 84  384 3   HOH HOH B . 
E 5 HOH 85  385 32  HOH HOH B . 
E 5 HOH 86  386 30  HOH HOH B . 
E 5 HOH 87  387 103 HOH HOH B . 
E 5 HOH 88  388 48  HOH HOH B . 
E 5 HOH 89  389 73  HOH HOH B . 
E 5 HOH 90  390 8   HOH HOH B . 
E 5 HOH 91  391 59  HOH HOH B . 
E 5 HOH 92  392 303 HOH HOH B . 
E 5 HOH 93  393 257 HOH HOH B . 
E 5 HOH 94  394 45  HOH HOH B . 
E 5 HOH 95  395 211 HOH HOH B . 
E 5 HOH 96  396 42  HOH HOH B . 
E 5 HOH 97  397 12  HOH HOH B . 
E 5 HOH 98  398 25  HOH HOH B . 
E 5 HOH 99  399 60  HOH HOH B . 
E 5 HOH 100 400 23  HOH HOH B . 
E 5 HOH 101 401 97  HOH HOH B . 
E 5 HOH 102 402 20  HOH HOH B . 
E 5 HOH 103 403 7   HOH HOH B . 
E 5 HOH 104 404 18  HOH HOH B . 
E 5 HOH 105 405 38  HOH HOH B . 
E 5 HOH 106 406 56  HOH HOH B . 
E 5 HOH 107 407 49  HOH HOH B . 
E 5 HOH 108 408 54  HOH HOH B . 
E 5 HOH 109 409 69  HOH HOH B . 
E 5 HOH 110 410 120 HOH HOH B . 
E 5 HOH 111 411 15  HOH HOH B . 
E 5 HOH 112 412 33  HOH HOH B . 
E 5 HOH 113 413 154 HOH HOH B . 
E 5 HOH 114 414 140 HOH HOH B . 
E 5 HOH 115 415 41  HOH HOH B . 
E 5 HOH 116 416 53  HOH HOH B . 
E 5 HOH 117 417 304 HOH HOH B . 
E 5 HOH 118 418 5   HOH HOH B . 
E 5 HOH 119 419 44  HOH HOH B . 
E 5 HOH 120 420 197 HOH HOH B . 
E 5 HOH 121 421 19  HOH HOH B . 
E 5 HOH 122 422 99  HOH HOH B . 
E 5 HOH 123 423 133 HOH HOH B . 
E 5 HOH 124 424 30  HOH HOH B . 
E 5 HOH 125 425 263 HOH HOH B . 
E 5 HOH 126 426 266 HOH HOH B . 
E 5 HOH 127 427 23  HOH HOH B . 
E 5 HOH 128 428 115 HOH HOH B . 
E 5 HOH 129 429 21  HOH HOH B . 
E 5 HOH 130 430 13  HOH HOH B . 
E 5 HOH 131 431 205 HOH HOH B . 
E 5 HOH 132 432 82  HOH HOH B . 
E 5 HOH 133 433 112 HOH HOH B . 
E 5 HOH 134 434 98  HOH HOH B . 
E 5 HOH 135 435 104 HOH HOH B . 
E 5 HOH 136 436 127 HOH HOH B . 
E 5 HOH 137 437 14  HOH HOH B . 
E 5 HOH 138 438 166 HOH HOH B . 
E 5 HOH 139 439 270 HOH HOH B . 
E 5 HOH 140 440 131 HOH HOH B . 
E 5 HOH 141 441 259 HOH HOH B . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 B LEU 192 ? CG  ? A LEU 186 CG  
2 1 Y 1 B LEU 192 ? CD1 ? A LEU 186 CD1 
3 1 Y 1 B LEU 192 ? CD2 ? A LEU 186 CD2 
# 
loop_
_software.pdbx_ordinal 
_software.name 
_software.version 
_software.date 
_software.type 
_software.contact_author 
_software.contact_author_email 
_software.classification 
_software.location 
_software.language 
_software.citation_id 
1 REFMAC      5.8.0267 ?               program 'Garib N. Murshudov' garib@ysbl.york.ac.uk    refinement        
http://www.ccp4.ac.uk/dist/html/refmac5.html        Fortran_77 ? 
2 Aimless     0.7.7    23/04/21        program 'Phil Evans'         ?                        'data scaling'    
http://www.mrc-lmb.cam.ac.uk/harry/pre/aimless.html ?          ? 
3 PDB_EXTRACT 3.23     'SEP. 23, 2016' package PDB                  deposit@deposit.rcsb.org 'data extraction' 
http://sw-tools.pdb.org/apps/PDB_EXTRACT/           C++        ? 
4 XDS         .        ?               program ?                    ?                        'data reduction'  ? ?          ? 
5 REFMAC      .        ?               program ?                    ?                        phasing           ? ?          ? 
# 
_cell.entry_id           7HNC 
_cell.length_a           95.397 
_cell.length_b           95.397 
_cell.length_c           45.946 
_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                         7HNC 
_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          7HNC 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.42 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   49.18 
_exptl_crystal.size_max              ? 
_exptl_crystal.size_mid              ? 
_exptl_crystal.size_min              ? 
_exptl_crystal.size_rad              ? 
_exptl_crystal.description           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.pH              8 
_exptl_crystal_grow.temp            293 
_exptl_crystal_grow.pdbx_details    '4 % PEG 400, 2 M AmmSO4, 0.1 M HEPES pH 8' 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           100 
_diffrn.crystal_id             1 
_diffrn.ambient_temp_details   ? 
# 
_diffrn_detector.detector               PIXEL 
_diffrn_detector.type                   'DECTRIS EIGER2 XE 9M' 
_diffrn_detector.pdbx_collection_date   2024-07-04 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.92134 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'DIAMOND BEAMLINE I04-1' 
_diffrn_source.pdbx_wavelength_list        0.92134 
_diffrn_source.pdbx_synchrotron_site       Diamond 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HNC 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             41.390 
_reflns.d_resolution_high            1.150 
_reflns.number_obs                   62235 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         85.100 
_reflns.pdbx_Rmerge_I_obs            0.038 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        27.600 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              9.500 
_reflns.pdbx_Rrim_I_all              0.040 
_reflns.pdbx_Rpim_I_all              0.011 
_reflns.pdbx_CC_half                 1.000 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     590390 
_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 1.150 1.170  ? 448  426 ? 0.416 ? ? ? 1.100  ? 0.600   ? ? ? ? ? ? 12.000 0.588 0.416 0.557 
1 2 6.300 41.390 ? 6225 485 ? 0.025 ? ? ? 12.800 ? 141.500 ? ? ? ? ? ? 99.700 0.026 0.008 1.000 
# 
_refine.entry_id                                 7HNC 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.1500 
_refine.ls_d_res_low                             41.4300 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    84.9300 
_refine.ls_number_reflns_obs                     59223 
_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                          0.1822 
_refine.ls_R_factor_R_work                       0.1811 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.2028 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.8000 
_refine.ls_number_reflns_R_free                  3012 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               15.0350 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.1100 
_refine.aniso_B[2][2]                            0.1100 
_refine.aniso_B[3][3]                            -0.2200 
_refine.aniso_B[1][2]                            -0.0000 
_refine.aniso_B[1][3]                            0.0000 
_refine.aniso_B[2][3]                            0.0000 
_refine.correlation_coeff_Fo_to_Fc               0.9680 
_refine.correlation_coeff_Fo_to_Fc_free          0.9600 
_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                       0.0470 
_refine.pdbx_overall_ESU_R_Free                  0.0480 
_refine.overall_SU_ML                            0.0360 
_refine.overall_SU_B                             0.8280 
_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                                68.920 
_refine.B_iso_min                                7.380 
_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                       1.1500 
_refine_hist.d_res_low                        41.4300 
_refine_hist.pdbx_number_atoms_ligand         23 
_refine_hist.number_atoms_solvent             141 
_refine_hist.number_atoms_total               1657 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           28.76 
_refine_hist.pdbx_B_iso_mean_solvent          25.57 
_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       2520 0.013  0.014  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1877 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2976 1.941  1.641  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      4342 1.475  1.587  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 289  7.352  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 142  32.439 21.197 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 342  14.273 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 21   20.080 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         257  0.370  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2744 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     604  0.003  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            1205 1.239  1.362  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         1196 1.222  1.345  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1363 2.011  2.014  ? ? 
# 
_refine_ls_shell.d_res_high                       1.1500 
_refine_ls_shell.d_res_low                        1.1800 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               15.1800 
_refine_ls_shell.number_reflns_R_work             769 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3390 
_refine_ls_shell.R_factor_R_free                  0.2660 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             42 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                811 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HNC 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z220996120' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HNC 
_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 ? 
# 
_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              7HNC 
_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 7HNC MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HNC HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HNC HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HNC HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HNC HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HNC HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HNC HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HNC 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 
# 
_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       -1.68 
# 
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 103 ? N TRP B 109 O GLU A 110 ? O GLU B 116 
AA2 5 6 N ALA A 111 ? N ALA B 117 O THR A 117 ? O THR B 123 
# 
_pdbx_entry_details.entry_id                   7HNC 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_rmsd_bond.id                        1 
_pdbx_validate_rmsd_bond.PDB_model_num             1 
_pdbx_validate_rmsd_bond.auth_atom_id_1            CD 
_pdbx_validate_rmsd_bond.auth_asym_id_1            B 
_pdbx_validate_rmsd_bond.auth_comp_id_1            GLU 
_pdbx_validate_rmsd_bond.auth_seq_id_1             141 
_pdbx_validate_rmsd_bond.PDB_ins_code_1            ? 
_pdbx_validate_rmsd_bond.label_alt_id_1            ? 
_pdbx_validate_rmsd_bond.auth_atom_id_2            OE1 
_pdbx_validate_rmsd_bond.auth_asym_id_2            B 
_pdbx_validate_rmsd_bond.auth_comp_id_2            GLU 
_pdbx_validate_rmsd_bond.auth_seq_id_2             141 
_pdbx_validate_rmsd_bond.PDB_ins_code_2            ? 
_pdbx_validate_rmsd_bond.label_alt_id_2            ? 
_pdbx_validate_rmsd_bond.bond_value                1.179 
_pdbx_validate_rmsd_bond.bond_target_value         1.252 
_pdbx_validate_rmsd_bond.bond_deviation            -0.073 
_pdbx_validate_rmsd_bond.bond_standard_deviation   0.011 
_pdbx_validate_rmsd_bond.linker_flag               N 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             CG 
_pdbx_validate_rmsd_angle.auth_asym_id_1             B 
_pdbx_validate_rmsd_angle.auth_comp_id_1             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_1              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CD 
_pdbx_validate_rmsd_angle.auth_asym_id_2             B 
_pdbx_validate_rmsd_angle.auth_comp_id_2             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_2              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             NE 
_pdbx_validate_rmsd_angle.auth_asym_id_3             B 
_pdbx_validate_rmsd_angle.auth_comp_id_3             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_3              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                132.92 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            21.12 
_pdbx_validate_rmsd_angle.angle_standard_deviation   2.10 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASN B 45  ? ? 71.40   35.61  
2 1 GLN B 78  ? ? 79.05   -23.96 
3 1 ASP B 152 ? ? -101.97 52.51  
# 
_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     358 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   E 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
_phasing.method   MR 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 B MET 7   ? A MET 1   
2 1 Y 1 B LYS 193 ? A LYS 187 
3 1 Y 1 B MET 194 ? A MET 188 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
EDO C1   C N N 88  
EDO O1   O N N 89  
EDO C2   C N N 90  
EDO O2   O N N 91  
EDO H11  H N N 92  
EDO H12  H N N 93  
EDO HO1  H N N 94  
EDO H21  H N N 95  
EDO H22  H N N 96  
EDO HO2  H N N 97  
GLN N    N N N 98  
GLN CA   C N S 99  
GLN C    C N N 100 
GLN O    O N N 101 
GLN CB   C N N 102 
GLN CG   C N N 103 
GLN CD   C N N 104 
GLN OE1  O N N 105 
GLN NE2  N N N 106 
GLN OXT  O N N 107 
GLN H    H N N 108 
GLN H2   H N N 109 
GLN HA   H N N 110 
GLN HB2  H N N 111 
GLN HB3  H N N 112 
GLN HG2  H N N 113 
GLN HG3  H N N 114 
GLN HE21 H N N 115 
GLN HE22 H N N 116 
GLN HXT  H N N 117 
GLU N    N N N 118 
GLU CA   C N S 119 
GLU C    C N N 120 
GLU O    O N N 121 
GLU CB   C N N 122 
GLU CG   C N N 123 
GLU CD   C N N 124 
GLU OE1  O N N 125 
GLU OE2  O N N 126 
GLU OXT  O N N 127 
GLU H    H N N 128 
GLU H2   H N N 129 
GLU HA   H N N 130 
GLU HB2  H N N 131 
GLU HB3  H N N 132 
GLU HG2  H N N 133 
GLU HG3  H N N 134 
GLU HE2  H N N 135 
GLU HXT  H N N 136 
GLY N    N N N 137 
GLY CA   C N N 138 
GLY C    C N N 139 
GLY O    O N N 140 
GLY OXT  O N N 141 
GLY H    H N N 142 
GLY H2   H N N 143 
GLY HA2  H N N 144 
GLY HA3  H N N 145 
GLY HXT  H N N 146 
HIS N    N N N 147 
HIS CA   C N S 148 
HIS C    C N N 149 
HIS O    O N N 150 
HIS CB   C N N 151 
HIS CG   C Y N 152 
HIS ND1  N Y N 153 
HIS CD2  C Y N 154 
HIS CE1  C Y N 155 
HIS NE2  N Y N 156 
HIS OXT  O N N 157 
HIS H    H N N 158 
HIS H2   H N N 159 
HIS HA   H N N 160 
HIS HB2  H N N 161 
HIS HB3  H N N 162 
HIS HD1  H N N 163 
HIS HD2  H N N 164 
HIS HE1  H N N 165 
HIS HE2  H N N 166 
HIS HXT  H N N 167 
HOH O    O N N 168 
HOH H1   H N N 169 
HOH H2   H N N 170 
ILE N    N N N 171 
ILE CA   C N S 172 
ILE C    C N N 173 
ILE O    O N N 174 
ILE CB   C N S 175 
ILE CG1  C N N 176 
ILE CG2  C N N 177 
ILE CD1  C N N 178 
ILE OXT  O N N 179 
ILE H    H N N 180 
ILE H2   H N N 181 
ILE HA   H N N 182 
ILE HB   H N N 183 
ILE HG12 H N N 184 
ILE HG13 H N N 185 
ILE HG21 H N N 186 
ILE HG22 H N N 187 
ILE HG23 H N N 188 
ILE HD11 H N N 189 
ILE HD12 H N N 190 
ILE HD13 H N N 191 
ILE HXT  H N N 192 
LEU N    N N N 193 
LEU CA   C N S 194 
LEU C    C N N 195 
LEU O    O N N 196 
LEU CB   C N N 197 
LEU CG   C N N 198 
LEU CD1  C N N 199 
LEU CD2  C N N 200 
LEU OXT  O N N 201 
LEU H    H N N 202 
LEU H2   H N N 203 
LEU HA   H N N 204 
LEU HB2  H N N 205 
LEU HB3  H N N 206 
LEU HG   H N N 207 
LEU HD11 H N N 208 
LEU HD12 H N N 209 
LEU HD13 H N N 210 
LEU HD21 H N N 211 
LEU HD22 H N N 212 
LEU HD23 H N N 213 
LEU HXT  H N N 214 
LYS N    N N N 215 
LYS CA   C N S 216 
LYS C    C N N 217 
LYS O    O N N 218 
LYS CB   C N N 219 
LYS CG   C N N 220 
LYS CD   C N N 221 
LYS CE   C N N 222 
LYS NZ   N N N 223 
LYS OXT  O N N 224 
LYS H    H N N 225 
LYS H2   H N N 226 
LYS HA   H N N 227 
LYS HB2  H N N 228 
LYS HB3  H N N 229 
LYS HG2  H N N 230 
LYS HG3  H N N 231 
LYS HD2  H N N 232 
LYS HD3  H N N 233 
LYS HE2  H N N 234 
LYS HE3  H N N 235 
LYS HZ1  H N N 236 
LYS HZ2  H N N 237 
LYS HZ3  H N N 238 
LYS HXT  H N N 239 
MET N    N N N 240 
MET CA   C N S 241 
MET C    C N N 242 
MET O    O N N 243 
MET CB   C N N 244 
MET CG   C N N 245 
MET SD   S N N 246 
MET CE   C N N 247 
MET OXT  O N N 248 
MET H    H N N 249 
MET H2   H N N 250 
MET HA   H N N 251 
MET HB2  H N N 252 
MET HB3  H N N 253 
MET HG2  H N N 254 
MET HG3  H N N 255 
MET HE1  H N N 256 
MET HE2  H N N 257 
MET HE3  H N N 258 
MET HXT  H N N 259 
PHE N    N N N 260 
PHE CA   C N S 261 
PHE C    C N N 262 
PHE O    O N N 263 
PHE CB   C N N 264 
PHE CG   C Y N 265 
PHE CD1  C Y N 266 
PHE CD2  C Y N 267 
PHE CE1  C Y N 268 
PHE CE2  C Y N 269 
PHE CZ   C Y N 270 
PHE OXT  O N N 271 
PHE H    H N N 272 
PHE H2   H N N 273 
PHE HA   H N N 274 
PHE HB2  H N N 275 
PHE HB3  H N N 276 
PHE HD1  H N N 277 
PHE HD2  H N N 278 
PHE HE1  H N N 279 
PHE HE2  H N N 280 
PHE HZ   H N N 281 
PHE HXT  H N N 282 
PRO N    N N N 283 
PRO CA   C N S 284 
PRO C    C N N 285 
PRO O    O N N 286 
PRO CB   C N N 287 
PRO CG   C N N 288 
PRO CD   C N N 289 
PRO OXT  O N N 290 
PRO H    H N N 291 
PRO HA   H N N 292 
PRO HB2  H N N 293 
PRO HB3  H N N 294 
PRO HG2  H N N 295 
PRO HG3  H N N 296 
PRO HD2  H N N 297 
PRO HD3  H N N 298 
PRO HXT  H N N 299 
SER N    N N N 300 
SER CA   C N S 301 
SER C    C N N 302 
SER O    O N N 303 
SER CB   C N N 304 
SER OG   O N N 305 
SER OXT  O N N 306 
SER H    H N N 307 
SER H2   H N N 308 
SER HA   H N N 309 
SER HB2  H N N 310 
SER HB3  H N N 311 
SER HG   H N N 312 
SER HXT  H N N 313 
SO4 S    S N N 314 
SO4 O1   O N N 315 
SO4 O2   O N N 316 
SO4 O3   O N N 317 
SO4 O4   O N N 318 
THR N    N N N 319 
THR CA   C N S 320 
THR C    C N N 321 
THR O    O N N 322 
THR CB   C N R 323 
THR OG1  O N N 324 
THR CG2  C N N 325 
THR OXT  O N N 326 
THR H    H N N 327 
THR H2   H N N 328 
THR HA   H N N 329 
THR HB   H N N 330 
THR HG1  H N N 331 
THR HG21 H N N 332 
THR HG22 H N N 333 
THR HG23 H N N 334 
THR HXT  H N N 335 
TRP N    N N N 336 
TRP CA   C N S 337 
TRP C    C N N 338 
TRP O    O N N 339 
TRP CB   C N N 340 
TRP CG   C Y N 341 
TRP CD1  C Y N 342 
TRP CD2  C Y N 343 
TRP NE1  N Y N 344 
TRP CE2  C Y N 345 
TRP CE3  C Y N 346 
TRP CZ2  C Y N 347 
TRP CZ3  C Y N 348 
TRP CH2  C Y N 349 
TRP OXT  O N N 350 
TRP H    H N N 351 
TRP H2   H N N 352 
TRP HA   H N N 353 
TRP HB2  H N N 354 
TRP HB3  H N N 355 
TRP HD1  H N N 356 
TRP HE1  H N N 357 
TRP HE3  H N N 358 
TRP HZ2  H N N 359 
TRP HZ3  H N N 360 
TRP HH2  H N N 361 
TRP HXT  H N N 362 
TV9 N1   N Y N 363 
TV9 C4   C N N 364 
TV9 C5   C N N 365 
TV9 C6   C Y N 366 
TV9 C7   C Y N 367 
TV9 C8   C Y N 368 
TV9 C10  C Y N 369 
TV9 N    N N N 370 
TV9 C    C N N 371 
TV9 O    O N N 372 
TV9 C1   C N S 373 
TV9 C2   C N N 374 
TV9 C3   C N N 375 
TV9 C9   C Y N 376 
TV9 H1   H N N 377 
TV9 H2   H N N 378 
TV9 H3   H N N 379 
TV9 H4   H N N 380 
TV9 H5   H N N 381 
TV9 H6   H N N 382 
TV9 H7   H N N 383 
TV9 H8   H N N 384 
TV9 H9   H N N 385 
TV9 H10  H N N 386 
TV9 H11  H N N 387 
TV9 H12  H N N 388 
TV9 H13  H N N 389 
TV9 H14  H N N 390 
TYR N    N N N 391 
TYR CA   C N S 392 
TYR C    C N N 393 
TYR O    O N N 394 
TYR CB   C N N 395 
TYR CG   C Y N 396 
TYR CD1  C Y N 397 
TYR CD2  C Y N 398 
TYR CE1  C Y N 399 
TYR CE2  C Y N 400 
TYR CZ   C Y N 401 
TYR OH   O N N 402 
TYR OXT  O N N 403 
TYR H    H N N 404 
TYR H2   H N N 405 
TYR HA   H N N 406 
TYR HB2  H N N 407 
TYR HB3  H N N 408 
TYR HD1  H N N 409 
TYR HD2  H N N 410 
TYR HE1  H N N 411 
TYR HE2  H N N 412 
TYR HH   H N N 413 
TYR HXT  H N N 414 
VAL N    N N N 415 
VAL CA   C N S 416 
VAL C    C N N 417 
VAL O    O N N 418 
VAL CB   C N N 419 
VAL CG1  C N N 420 
VAL CG2  C N N 421 
VAL OXT  O N N 422 
VAL H    H N N 423 
VAL H2   H N N 424 
VAL HA   H N N 425 
VAL HB   H N N 426 
VAL HG11 H N N 427 
VAL HG12 H N N 428 
VAL HG13 H N N 429 
VAL HG21 H N N 430 
VAL HG22 H N N 431 
VAL HG23 H N N 432 
VAL HXT  H N N 433 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
EDO C1  O1   sing N N 83  
EDO C1  C2   sing N N 84  
EDO C1  H11  sing N N 85  
EDO C1  H12  sing N N 86  
EDO O1  HO1  sing N N 87  
EDO C2  O2   sing N N 88  
EDO C2  H21  sing N N 89  
EDO C2  H22  sing N N 90  
EDO O2  HO2  sing N N 91  
GLN N   CA   sing N N 92  
GLN N   H    sing N N 93  
GLN N   H2   sing N N 94  
GLN CA  C    sing N N 95  
GLN CA  CB   sing N N 96  
GLN CA  HA   sing N N 97  
GLN C   O    doub N N 98  
GLN C   OXT  sing N N 99  
GLN CB  CG   sing N N 100 
GLN CB  HB2  sing N N 101 
GLN CB  HB3  sing N N 102 
GLN CG  CD   sing N N 103 
GLN CG  HG2  sing N N 104 
GLN CG  HG3  sing N N 105 
GLN CD  OE1  doub N N 106 
GLN CD  NE2  sing N N 107 
GLN NE2 HE21 sing N N 108 
GLN NE2 HE22 sing N N 109 
GLN OXT HXT  sing N N 110 
GLU N   CA   sing N N 111 
GLU N   H    sing N N 112 
GLU N   H2   sing N N 113 
GLU CA  C    sing N N 114 
GLU CA  CB   sing N N 115 
GLU CA  HA   sing N N 116 
GLU C   O    doub N N 117 
GLU C   OXT  sing N N 118 
GLU CB  CG   sing N N 119 
GLU CB  HB2  sing N N 120 
GLU CB  HB3  sing N N 121 
GLU CG  CD   sing N N 122 
GLU CG  HG2  sing N N 123 
GLU CG  HG3  sing N N 124 
GLU CD  OE1  doub N N 125 
GLU CD  OE2  sing N N 126 
GLU OE2 HE2  sing N N 127 
GLU OXT HXT  sing N N 128 
GLY N   CA   sing N N 129 
GLY N   H    sing N N 130 
GLY N   H2   sing N N 131 
GLY CA  C    sing N N 132 
GLY CA  HA2  sing N N 133 
GLY CA  HA3  sing N N 134 
GLY C   O    doub N N 135 
GLY C   OXT  sing N N 136 
GLY OXT HXT  sing N N 137 
HIS N   CA   sing N N 138 
HIS N   H    sing N N 139 
HIS N   H2   sing N N 140 
HIS CA  C    sing N N 141 
HIS CA  CB   sing N N 142 
HIS CA  HA   sing N N 143 
HIS C   O    doub N N 144 
HIS C   OXT  sing N N 145 
HIS CB  CG   sing N N 146 
HIS CB  HB2  sing N N 147 
HIS CB  HB3  sing N N 148 
HIS CG  ND1  sing Y N 149 
HIS CG  CD2  doub Y N 150 
HIS ND1 CE1  doub Y N 151 
HIS ND1 HD1  sing N N 152 
HIS CD2 NE2  sing Y N 153 
HIS CD2 HD2  sing N N 154 
HIS CE1 NE2  sing Y N 155 
HIS CE1 HE1  sing N N 156 
HIS NE2 HE2  sing N N 157 
HIS OXT HXT  sing N N 158 
HOH O   H1   sing N N 159 
HOH O   H2   sing N N 160 
ILE N   CA   sing N N 161 
ILE N   H    sing N N 162 
ILE N   H2   sing N N 163 
ILE CA  C    sing N N 164 
ILE CA  CB   sing N N 165 
ILE CA  HA   sing N N 166 
ILE C   O    doub N N 167 
ILE C   OXT  sing N N 168 
ILE CB  CG1  sing N N 169 
ILE CB  CG2  sing N N 170 
ILE CB  HB   sing N N 171 
ILE CG1 CD1  sing N N 172 
ILE CG1 HG12 sing N N 173 
ILE CG1 HG13 sing N N 174 
ILE CG2 HG21 sing N N 175 
ILE CG2 HG22 sing N N 176 
ILE CG2 HG23 sing N N 177 
ILE CD1 HD11 sing N N 178 
ILE CD1 HD12 sing N N 179 
ILE CD1 HD13 sing N N 180 
ILE OXT HXT  sing N N 181 
LEU N   CA   sing N N 182 
LEU N   H    sing N N 183 
LEU N   H2   sing N N 184 
LEU CA  C    sing N N 185 
LEU CA  CB   sing N N 186 
LEU CA  HA   sing N N 187 
LEU C   O    doub N N 188 
LEU C   OXT  sing N N 189 
LEU CB  CG   sing N N 190 
LEU CB  HB2  sing N N 191 
LEU CB  HB3  sing N N 192 
LEU CG  CD1  sing N N 193 
LEU CG  CD2  sing N N 194 
LEU CG  HG   sing N N 195 
LEU CD1 HD11 sing N N 196 
LEU CD1 HD12 sing N N 197 
LEU CD1 HD13 sing N N 198 
LEU CD2 HD21 sing N N 199 
LEU CD2 HD22 sing N N 200 
LEU CD2 HD23 sing N N 201 
LEU OXT HXT  sing N N 202 
LYS N   CA   sing N N 203 
LYS N   H    sing N N 204 
LYS N   H2   sing N N 205 
LYS CA  C    sing N N 206 
LYS CA  CB   sing N N 207 
LYS CA  HA   sing N N 208 
LYS C   O    doub N N 209 
LYS C   OXT  sing N N 210 
LYS CB  CG   sing N N 211 
LYS CB  HB2  sing N N 212 
LYS CB  HB3  sing N N 213 
LYS CG  CD   sing N N 214 
LYS CG  HG2  sing N N 215 
LYS CG  HG3  sing N N 216 
LYS CD  CE   sing N N 217 
LYS CD  HD2  sing N N 218 
LYS CD  HD3  sing N N 219 
LYS CE  NZ   sing N N 220 
LYS CE  HE2  sing N N 221 
LYS CE  HE3  sing N N 222 
LYS NZ  HZ1  sing N N 223 
LYS NZ  HZ2  sing N N 224 
LYS NZ  HZ3  sing N N 225 
LYS OXT HXT  sing N N 226 
MET N   CA   sing N N 227 
MET N   H    sing N N 228 
MET N   H2   sing N N 229 
MET CA  C    sing N N 230 
MET CA  CB   sing N N 231 
MET CA  HA   sing N N 232 
MET C   O    doub N N 233 
MET C   OXT  sing N N 234 
MET CB  CG   sing N N 235 
MET CB  HB2  sing N N 236 
MET CB  HB3  sing N N 237 
MET CG  SD   sing N N 238 
MET CG  HG2  sing N N 239 
MET CG  HG3  sing N N 240 
MET SD  CE   sing N N 241 
MET CE  HE1  sing N N 242 
MET CE  HE2  sing N N 243 
MET CE  HE3  sing N N 244 
MET OXT HXT  sing N N 245 
PHE N   CA   sing N N 246 
PHE N   H    sing N N 247 
PHE N   H2   sing N N 248 
PHE CA  C    sing N N 249 
PHE CA  CB   sing N N 250 
PHE CA  HA   sing N N 251 
PHE C   O    doub N N 252 
PHE C   OXT  sing N N 253 
PHE CB  CG   sing N N 254 
PHE CB  HB2  sing N N 255 
PHE CB  HB3  sing N N 256 
PHE CG  CD1  doub Y N 257 
PHE CG  CD2  sing Y N 258 
PHE CD1 CE1  sing Y N 259 
PHE CD1 HD1  sing N N 260 
PHE CD2 CE2  doub Y N 261 
PHE CD2 HD2  sing N N 262 
PHE CE1 CZ   doub Y N 263 
PHE CE1 HE1  sing N N 264 
PHE CE2 CZ   sing Y N 265 
PHE CE2 HE2  sing N N 266 
PHE CZ  HZ   sing N N 267 
PHE OXT HXT  sing N N 268 
PRO N   CA   sing N N 269 
PRO N   CD   sing N N 270 
PRO N   H    sing N N 271 
PRO CA  C    sing N N 272 
PRO CA  CB   sing N N 273 
PRO CA  HA   sing N N 274 
PRO C   O    doub N N 275 
PRO C   OXT  sing N N 276 
PRO CB  CG   sing N N 277 
PRO CB  HB2  sing N N 278 
PRO CB  HB3  sing N N 279 
PRO CG  CD   sing N N 280 
PRO CG  HG2  sing N N 281 
PRO CG  HG3  sing N N 282 
PRO CD  HD2  sing N N 283 
PRO CD  HD3  sing N N 284 
PRO OXT HXT  sing N N 285 
SER N   CA   sing N N 286 
SER N   H    sing N N 287 
SER N   H2   sing N N 288 
SER CA  C    sing N N 289 
SER CA  CB   sing N N 290 
SER CA  HA   sing N N 291 
SER C   O    doub N N 292 
SER C   OXT  sing N N 293 
SER CB  OG   sing N N 294 
SER CB  HB2  sing N N 295 
SER CB  HB3  sing N N 296 
SER OG  HG   sing N N 297 
SER OXT HXT  sing N N 298 
SO4 S   O1   doub N N 299 
SO4 S   O2   doub N N 300 
SO4 S   O3   sing N N 301 
SO4 S   O4   sing N N 302 
THR N   CA   sing N N 303 
THR N   H    sing N N 304 
THR N   H2   sing N N 305 
THR CA  C    sing N N 306 
THR CA  CB   sing N N 307 
THR CA  HA   sing N N 308 
THR C   O    doub N N 309 
THR C   OXT  sing N N 310 
THR CB  OG1  sing N N 311 
THR CB  CG2  sing N N 312 
THR CB  HB   sing N N 313 
THR OG1 HG1  sing N N 314 
THR CG2 HG21 sing N N 315 
THR CG2 HG22 sing N N 316 
THR CG2 HG23 sing N N 317 
THR OXT HXT  sing N N 318 
TRP N   CA   sing N N 319 
TRP N   H    sing N N 320 
TRP N   H2   sing N N 321 
TRP CA  C    sing N N 322 
TRP CA  CB   sing N N 323 
TRP CA  HA   sing N N 324 
TRP C   O    doub N N 325 
TRP C   OXT  sing N N 326 
TRP CB  CG   sing N N 327 
TRP CB  HB2  sing N N 328 
TRP CB  HB3  sing N N 329 
TRP CG  CD1  doub Y N 330 
TRP CG  CD2  sing Y N 331 
TRP CD1 NE1  sing Y N 332 
TRP CD1 HD1  sing N N 333 
TRP CD2 CE2  doub Y N 334 
TRP CD2 CE3  sing Y N 335 
TRP NE1 CE2  sing Y N 336 
TRP NE1 HE1  sing N N 337 
TRP CE2 CZ2  sing Y N 338 
TRP CE3 CZ3  doub Y N 339 
TRP CE3 HE3  sing N N 340 
TRP CZ2 CH2  doub Y N 341 
TRP CZ2 HZ2  sing N N 342 
TRP CZ3 CH2  sing Y N 343 
TRP CZ3 HZ3  sing N N 344 
TRP CH2 HH2  sing N N 345 
TRP OXT HXT  sing N N 346 
TV9 C7  C8   doub Y N 347 
TV9 C7  C6   sing Y N 348 
TV9 C   C1   sing N N 349 
TV9 C8  C9   sing Y N 350 
TV9 C1  C6   sing N N 351 
TV9 C1  N    sing N N 352 
TV9 C6  C10  doub Y N 353 
TV9 C9  N1   doub Y N 354 
TV9 N   C2   sing N N 355 
TV9 C10 N1   sing Y N 356 
TV9 O   C2   doub N N 357 
TV9 C2  C3   sing N N 358 
TV9 C3  C4   sing N N 359 
TV9 C3  C5   sing N N 360 
TV9 C4  C5   sing N N 361 
TV9 C4  H1   sing N N 362 
TV9 C4  H2   sing N N 363 
TV9 C5  H3   sing N N 364 
TV9 C5  H4   sing N N 365 
TV9 C7  H5   sing N N 366 
TV9 C8  H6   sing N N 367 
TV9 C10 H7   sing N N 368 
TV9 N   H8   sing N N 369 
TV9 C   H9   sing N N 370 
TV9 C   H10  sing N N 371 
TV9 C   H11  sing N N 372 
TV9 C1  H12  sing N N 373 
TV9 C3  H13  sing N N 374 
TV9 C9  H14  sing N N 375 
TYR N   CA   sing N N 376 
TYR N   H    sing N N 377 
TYR N   H2   sing N N 378 
TYR CA  C    sing N N 379 
TYR CA  CB   sing N N 380 
TYR CA  HA   sing N N 381 
TYR C   O    doub N N 382 
TYR C   OXT  sing N N 383 
TYR CB  CG   sing N N 384 
TYR CB  HB2  sing N N 385 
TYR CB  HB3  sing N N 386 
TYR CG  CD1  doub Y N 387 
TYR CG  CD2  sing Y N 388 
TYR CD1 CE1  sing Y N 389 
TYR CD1 HD1  sing N N 390 
TYR CD2 CE2  doub Y N 391 
TYR CD2 HD2  sing N N 392 
TYR CE1 CZ   doub Y N 393 
TYR CE1 HE1  sing N N 394 
TYR CE2 CZ   sing Y N 395 
TYR CE2 HE2  sing N N 396 
TYR CZ  OH   sing N N 397 
TYR OH  HH   sing N N 398 
TYR OXT HXT  sing N N 399 
VAL N   CA   sing N N 400 
VAL N   H    sing N N 401 
VAL N   H2   sing N N 402 
VAL CA  C    sing N N 403 
VAL CA  CB   sing N N 404 
VAL CA  HA   sing N N 405 
VAL C   O    doub N N 406 
VAL C   OXT  sing N N 407 
VAL CB  CG1  sing N N 408 
VAL CB  CG2  sing N N 409 
VAL CB  HB   sing N N 410 
VAL CG1 HG11 sing N N 411 
VAL CG1 HG12 sing N N 412 
VAL CG1 HG13 sing N N 413 
VAL CG2 HG21 sing N N 414 
VAL CG2 HG22 sing N N 415 
VAL CG2 HG23 sing N N 416 
VAL OXT HXT  sing N N 417 
# 
_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                    7HNC 
_atom_sites.fract_transf_matrix[1][1]   0.010483 
_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]   0.010483 
_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]   0.021765 
_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   ? -13.475 -12.336 -10.018 1.00 48.89 ? 8   HIS B N   1 
ATOM   2    C CA  . HIS A 1 2   ? -12.915 -13.172 -11.145 1.00 45.42 ? 8   HIS B CA  1 
ATOM   3    C C   . HIS A 1 2   ? -11.746 -12.429 -11.805 1.00 45.00 ? 8   HIS B C   1 
ATOM   4    O O   . HIS A 1 2   ? -11.517 -11.240 -11.451 1.00 43.92 ? 8   HIS B O   1 
ATOM   5    C CB  . HIS A 1 2   ? -14.020 -13.522 -12.162 1.00 38.25 ? 8   HIS B CB  1 
ATOM   6    C CG  . HIS A 1 2   ? -14.605 -12.331 -12.846 1.00 34.80 ? 8   HIS B CG  1 
ATOM   7    N ND1 . HIS A 1 2   ? -13.997 -11.736 -13.944 1.00 35.41 ? 8   HIS B ND1 1 
ATOM   8    C CD2 . HIS A 1 2   ? -15.720 -11.611 -12.600 1.00 34.43 ? 8   HIS B CD2 1 
ATOM   9    C CE1 . HIS A 1 2   ? -14.719 -10.701 -14.337 1.00 35.34 ? 8   HIS B CE1 1 
ATOM   10   N NE2 . HIS A 1 2   ? -15.773 -10.586 -13.520 1.00 31.63 ? 8   HIS B NE2 1 
ATOM   11   N N   . HIS A 1 3   ? -11.077 -13.086 -12.759 1.00 39.60 ? 9   HIS B N   1 
ATOM   12   C CA  . HIS A 1 3   ? -9.878  -12.582 -13.477 1.00 40.08 ? 9   HIS B CA  1 
ATOM   13   C C   . HIS A 1 3   ? -10.076 -12.677 -14.998 1.00 35.25 ? 9   HIS B C   1 
ATOM   14   O O   . HIS A 1 3   ? -9.082  -12.937 -15.694 1.00 36.04 ? 9   HIS B O   1 
ATOM   15   C CB  . HIS A 1 3   ? -8.636  -13.368 -13.010 1.00 48.31 ? 9   HIS B CB  1 
ATOM   16   C CG  . HIS A 1 3   ? -8.507  -13.448 -11.523 1.00 59.46 ? 9   HIS B CG  1 
ATOM   17   N ND1 . HIS A 1 3   ? -7.946  -12.426 -10.770 1.00 59.51 ? 9   HIS B ND1 1 
ATOM   18   C CD2 . HIS A 1 3   ? -8.877  -14.409 -10.644 1.00 65.16 ? 9   HIS B CD2 1 
ATOM   19   C CE1 . HIS A 1 3   ? -7.968  -12.758 -9.495  1.00 64.69 ? 9   HIS B CE1 1 
ATOM   20   N NE2 . HIS A 1 3   ? -8.534  -13.972 -9.390  1.00 68.92 ? 9   HIS B NE2 1 
ATOM   21   N N   . HIS A 1 4   ? -11.299 -12.443 -15.509 1.00 29.08 ? 10  HIS B N   1 
ATOM   22   C CA  . HIS A 1 4   ? -11.679 -12.666 -16.935 1.00 26.10 ? 10  HIS B CA  1 
ATOM   23   C C   . HIS A 1 4   ? -11.612 -11.346 -17.697 1.00 26.45 ? 10  HIS B C   1 
ATOM   24   O O   . HIS A 1 4   ? -11.817 -11.357 -18.937 1.00 24.74 ? 10  HIS B O   1 
ATOM   25   C CB  . HIS A 1 4   ? -13.106 -13.245 -17.056 1.00 25.89 ? 10  HIS B CB  1 
ATOM   26   C CG  . HIS A 1 4   ? -13.262 -14.600 -16.469 1.00 26.04 ? 10  HIS B CG  1 
ATOM   27   N ND1 . HIS A 1 4   ? -12.359 -15.625 -16.687 1.00 24.92 ? 10  HIS B ND1 1 
ATOM   28   C CD2 . HIS A 1 4   ? -14.226 -15.109 -15.674 1.00 24.70 ? 10  HIS B CD2 1 
ATOM   29   C CE1 . HIS A 1 4   ? -12.765 -16.701 -16.035 1.00 28.10 ? 10  HIS B CE1 1 
ATOM   30   N NE2 . HIS A 1 4   ? -13.891 -16.401 -15.411 1.00 28.79 ? 10  HIS B NE2 1 
ATOM   31   N N   . HIS A 1 5   ? -11.387 -10.232 -16.998 1.00 27.55 ? 11  HIS B N   1 
ATOM   32   C CA  . HIS A 1 5   ? -11.542 -8.869  -17.567 1.00 26.61 ? 11  HIS B CA  1 
ATOM   33   C C   . HIS A 1 5   ? -10.678 -8.677  -18.816 1.00 24.72 ? 11  HIS B C   1 
ATOM   34   O O   . HIS A 1 5   ? -11.118 -7.988  -19.744 1.00 27.17 ? 11  HIS B O   1 
ATOM   35   C CB  . HIS A 1 5   ? -11.239 -7.787  -16.508 1.00 31.56 ? 11  HIS B CB  1 
ATOM   36   C CG  . HIS A 1 5   ? -12.096 -7.921  -15.304 1.00 36.32 ? 11  HIS B CG  1 
ATOM   37   N ND1 . HIS A 1 5   ? -11.704 -8.688  -14.210 1.00 41.21 ? 11  HIS B ND1 1 
ATOM   38   C CD2 . HIS A 1 5   ? -13.330 -7.435  -15.018 1.00 38.56 ? 11  HIS B CD2 1 
ATOM   39   C CE1 . HIS A 1 5   ? -12.652 -8.649  -13.285 1.00 41.56 ? 11  HIS B CE1 1 
ATOM   40   N NE2 . HIS A 1 5   ? -13.670 -7.885  -13.759 1.00 40.49 ? 11  HIS B NE2 1 
ATOM   41   N N   . HIS A 1 6   ? -9.507  -9.316  -18.879 1.00 23.77 ? 12  HIS B N   1 
ATOM   42   C CA  . HIS A 1 6   ? -8.541  -9.165  -19.995 1.00 24.14 ? 12  HIS B CA  1 
ATOM   43   C C   . HIS A 1 6   ? -9.047  -9.774  -21.308 1.00 23.63 ? 12  HIS B C   1 
ATOM   44   O O   . HIS A 1 6   ? -8.428  -9.542  -22.347 1.00 25.07 ? 12  HIS B O   1 
ATOM   45   C CB  . HIS A 1 6   ? -7.171  -9.726  -19.589 1.00 27.76 ? 12  HIS B CB  1 
ATOM   46   C CG  . HIS A 1 6   ? -7.176  -11.152 -19.187 1.00 25.64 ? 12  HIS B CG  1 
ATOM   47   N ND1 . HIS A 1 6   ? -6.567  -12.137 -19.948 1.00 33.25 ? 12  HIS B ND1 1 
ATOM   48   C CD2 . HIS A 1 6   ? -7.655  -11.767 -18.087 1.00 29.44 ? 12  HIS B CD2 1 
ATOM   49   C CE1 . HIS A 1 6   ? -6.671  -13.290 -19.334 1.00 27.46 ? 12  HIS B CE1 1 
ATOM   50   N NE2 . HIS A 1 6   ? -7.356  -13.105 -18.201 1.00 33.56 ? 12  HIS B NE2 1 
ATOM   51   N N   . HIS A 1 7   ? -10.105 -10.585 -21.284 1.00 20.73 ? 13  HIS B N   1 
ATOM   52   C CA  . HIS A 1 7   ? -10.793 -11.136 -22.488 1.00 17.84 ? 13  HIS B CA  1 
ATOM   53   C C   . HIS A 1 7   ? -11.905 -10.196 -22.955 1.00 15.72 ? 13  HIS B C   1 
ATOM   54   O O   . HIS A 1 7   ? -12.717 -10.639 -23.754 1.00 15.41 ? 13  HIS B O   1 
ATOM   55   C CB  . HIS A 1 7   ? -11.352 -12.519 -22.185 1.00 17.21 ? 13  HIS B CB  1 
ATOM   56   C CG  . HIS A 1 7   ? -10.288 -13.500 -21.802 1.00 17.80 ? 13  HIS B CG  1 
ATOM   57   N ND1 . HIS A 1 7   ? -9.246  -13.808 -22.669 1.00 18.97 ? 13  HIS B ND1 1 
ATOM   58   C CD2 . HIS A 1 7   ? -10.117 -14.183 -20.665 1.00 19.74 ? 13  HIS B CD2 1 
ATOM   59   C CE1 . HIS A 1 7   ? -8.460  -14.671 -22.056 1.00 18.69 ? 13  HIS B CE1 1 
ATOM   60   N NE2 . HIS A 1 7   ? -8.944  -14.906 -20.838 1.00 20.71 ? 13  HIS B NE2 1 
ATOM   61   N N   . MET A 1 8   ? -11.949 -8.965  -22.466 1.00 16.43 ? 14  MET B N   1 
ATOM   62   C CA  . MET A 1 8   ? -12.997 -7.979  -22.837 1.00 18.34 ? 14  MET B CA  1 
ATOM   63   C C   . MET A 1 8   ? -13.080 -7.858  -24.352 1.00 18.83 ? 14  MET B C   1 
ATOM   64   O O   . MET A 1 8   ? -12.024 -7.696  -25.056 1.00 20.62 ? 14  MET B O   1 
ATOM   65   C CB  . MET A 1 8   ? -12.677 -6.610  -22.228 1.00 22.70 ? 14  MET B CB  1 
ATOM   66   C CG  . MET A 1 8   ? -13.723 -5.530  -22.504 1.00 26.56 ? 14  MET B CG  1 
ATOM   67   S SD  . MET A 1 8   ? -15.273 -5.767  -21.548 1.00 38.88 ? 14  MET B SD  1 
ATOM   68   C CE  . MET A 1 8   ? -14.766 -5.161  -19.942 1.00 33.05 ? 14  MET B CE  1 
ATOM   69   N N   . VAL A 1 9   ? -14.306 -7.841  -24.877 1.00 15.97 ? 15  VAL B N   1 
ATOM   70   C CA  . VAL A 1 9   ? -14.624 -7.626  -26.310 1.00 16.61 ? 15  VAL B CA  1 
ATOM   71   C C   . VAL A 1 9   ? -15.622 -6.463  -26.391 1.00 16.55 ? 15  VAL B C   1 
ATOM   72   O O   . VAL A 1 9   ? -16.482 -6.311  -25.494 1.00 16.84 ? 15  VAL B O   1 
ATOM   73   C CB  . VAL A 1 9   ? -15.156 -8.885  -27.002 1.00 16.43 ? 15  VAL B CB  1 
ATOM   74   C CG1 . VAL A 1 9   ? -14.044 -9.889  -27.214 1.00 20.45 ? 15  VAL B CG1 1 
ATOM   75   C CG2 . VAL A 1 9   ? -16.321 -9.532  -26.271 1.00 16.85 ? 15  VAL B CG2 1 
ATOM   76   N N   . HIS A 1 10  ? -15.520 -5.656  -27.433 1.00 16.05 ? 16  HIS B N   1 
ATOM   77   C CA  . HIS A 1 10  ? -16.412 -4.497  -27.677 1.00 16.54 ? 16  HIS B CA  1 
ATOM   78   C C   . HIS A 1 10  ? -17.628 -4.998  -28.447 1.00 17.27 ? 16  HIS B C   1 
ATOM   79   O O   . HIS A 1 10  ? -17.506 -5.377  -29.607 1.00 20.56 ? 16  HIS B O   1 
ATOM   80   C CB  . HIS A 1 10  ? -15.679 -3.418  -28.464 1.00 17.80 ? 16  HIS B CB  1 
ATOM   81   C CG  . HIS A 1 10  ? -16.472 -2.173  -28.682 1.00 21.76 ? 16  HIS B CG  1 
ATOM   82   N ND1 . HIS A 1 10  ? -16.590 -1.203  -27.711 1.00 25.88 ? 16  HIS B ND1 1 
ATOM   83   C CD2 . HIS A 1 10  ? -17.191 -1.752  -29.741 1.00 24.50 ? 16  HIS B CD2 1 
ATOM   84   C CE1 . HIS A 1 10  ? -17.339 -0.208  -28.173 1.00 23.50 ? 16  HIS B CE1 1 
ATOM   85   N NE2 . HIS A 1 10  ? -17.723 -0.535  -29.419 1.00 27.22 ? 16  HIS B NE2 1 
ATOM   86   N N   . ILE A 1 11  ? -18.756 -5.122  -27.770 1.00 13.39 ? 17  ILE B N   1 
ATOM   87   C CA  . ILE A 1 11  ? -19.984 -5.658  -28.401 1.00 13.97 ? 17  ILE B CA  1 
ATOM   88   C C   . ILE A 1 11  ? -20.803 -4.474  -28.957 1.00 13.29 ? 17  ILE B C   1 
ATOM   89   O O   . ILE A 1 11  ? -20.887 -3.446  -28.270 1.00 13.77 ? 17  ILE B O   1 
ATOM   90   C CB  . ILE A 1 11  ? -20.808 -6.486  -27.383 1.00 13.51 ? 17  ILE B CB  1 
ATOM   91   C CG1 . ILE A 1 11  ? -20.014 -7.696  -26.871 1.00 13.96 ? 17  ILE B CG1 1 
ATOM   92   C CG2 . ILE A 1 11  ? -22.154 -6.869  -27.983 1.00 13.64 ? 17  ILE B CG2 1 
ATOM   93   C CD1 . ILE A 1 11  ? -19.434 -8.595  -27.920 1.00 14.70 ? 17  ILE B CD1 1 
ATOM   94   N N   . THR A 1 12  ? -21.425 -4.695  -30.080 1.00 13.01 ? 18  THR B N   1 
ATOM   95   C CA  . THR A 1 12  ? -22.405 -3.724  -30.644 1.00 13.87 ? 18  THR B CA  1 
ATOM   96   C C   . THR A 1 12  ? -23.666 -4.479  -31.022 1.00 13.92 ? 18  THR B C   1 
ATOM   97   O O   . THR A 1 12  ? -23.610 -5.680  -31.304 1.00 15.69 ? 18  THR B O   1 
ATOM   98   C CB  . THR A 1 12  ? -21.826 -2.952  -31.834 1.00 15.98 ? 18  THR B CB  1 
ATOM   99   O OG1 . THR A 1 12  ? -21.431 -3.854  -32.852 1.00 17.69 ? 18  THR B OG1 1 
ATOM   100  C CG2 . THR A 1 12  ? -20.696 -2.004  -31.466 1.00 18.16 ? 18  THR B CG2 1 
ATOM   101  N N   . LEU A 1 13  ? -24.801 -3.766  -30.985 1.00 12.53 ? 19  LEU B N   1 
ATOM   102  C CA  . LEU A 1 13  ? -26.100 -4.414  -31.267 1.00 12.60 ? 19  LEU B CA  1 
ATOM   103  C C   . LEU A 1 13  ? -26.384 -4.415  -32.765 1.00 12.28 ? 19  LEU B C   1 
ATOM   104  O O   . LEU A 1 13  ? -26.045 -3.402  -33.454 1.00 13.96 ? 19  LEU B O   1 
ATOM   105  C CB  . LEU A 1 13  ? -27.156 -3.648  -30.503 1.00 12.86 ? 19  LEU B CB  1 
ATOM   106  C CG  . LEU A 1 13  ? -26.952 -3.732  -29.001 1.00 12.28 ? 19  LEU B CG  1 
ATOM   107  C CD1 . LEU A 1 13  ? -27.917 -2.828  -28.254 1.00 14.88 ? 19  LEU B CD1 1 
ATOM   108  C CD2 . LEU A 1 13  ? -27.012 -5.177  -28.478 1.00 14.43 ? 19  LEU B CD2 1 
ATOM   109  N N   . ASP A 1 14  ? -26.992 -5.442  -33.260 1.00 11.39 ? 20  ASP B N   1 
ATOM   110  C CA  . ASP A 1 14  ? -27.366 -5.604  -34.678 1.00 11.54 ? 20  ASP B CA  1 
ATOM   111  C C   . ASP A 1 14  ? -28.867 -5.244  -34.838 1.00 11.91 ? 20  ASP B C   1 
ATOM   112  O O   . ASP A 1 14  ? -29.734 -6.056  -34.558 1.00 11.91 ? 20  ASP B O   1 
ATOM   113  C CB  . ASP A 1 14  ? -27.078 -7.013  -35.167 1.00 12.05 ? 20  ASP B CB  1 
ATOM   114  C CG  . ASP A 1 14  ? -27.413 -7.293  -36.617 1.00 15.38 ? 20  ASP B CG  1 
ATOM   115  O OD1 . ASP A 1 14  ? -28.074 -6.406  -37.219 1.00 15.58 ? 20  ASP B OD1 1 
ATOM   116  O OD2 . ASP A 1 14  ? -27.150 -8.393  -37.126 1.00 15.47 ? 20  ASP B OD2 1 
ATOM   117  N N   . ARG A 1 15  ? -29.120 -4.018  -35.319 0.34 11.75 ? 21  ARG B N   1 
ATOM   118  C CA  . ARG A 1 15  ? -30.467 -3.421  -35.547 0.34 13.25 ? 21  ARG B CA  1 
ATOM   119  C C   . ARG A 1 15  ? -31.367 -4.344  -36.370 0.34 12.47 ? 21  ARG B C   1 
ATOM   120  O O   . ARG A 1 15  ? -32.600 -4.350  -36.136 0.34 12.77 ? 21  ARG B O   1 
ATOM   121  C CB  . ARG A 1 15  ? -30.337 -2.094  -36.312 0.66 16.34 ? 21  ARG B CB  1 
ATOM   122  C CG  . ARG A 1 15  ? -30.015 -0.928  -35.403 0.34 16.30 ? 21  ARG B CG  1 
ATOM   123  C CD  . ARG A 1 15  ? -30.591 0.359   -35.943 0.34 16.48 ? 21  ARG B CD  1 
ATOM   124  N NE  . ARG A 1 15  ? -30.162 1.398   -35.050 0.34 17.89 ? 21  ARG B NE  1 
ATOM   125  C CZ  . ARG A 1 15  ? -28.950 1.898   -35.068 0.34 17.55 ? 21  ARG B CZ  1 
ATOM   126  N NH1 . ARG A 1 15  ? -28.607 2.823   -34.191 0.34 19.45 ? 21  ARG B NH1 1 
ATOM   127  N NH2 . ARG A 1 15  ? -28.089 1.477   -35.981 0.34 18.69 ? 21  ARG B NH2 1 
ATOM   128  N N   . ASN A 1 16  ? -30.778 -5.075  -37.311 1.00 13.22 ? 22  ASN B N   1 
ATOM   129  C CA  . ASN A 1 16  ? -31.554 -5.898  -38.239 1.00 15.02 ? 22  ASN B CA  1 
ATOM   130  C C   . ASN A 1 16  ? -32.227 -7.049  -37.511 1.00 13.34 ? 22  ASN B C   1 
ATOM   131  O O   . ASN A 1 16  ? -33.200 -7.592  -38.028 1.00 14.21 ? 22  ASN B O   1 
ATOM   132  C CB  . ASN A 1 16  ? -30.669 -6.329  -39.414 1.00 19.16 ? 22  ASN B CB  1 
ATOM   133  C CG  . ASN A 1 16  ? -30.439 -5.217  -40.432 1.00 26.94 ? 22  ASN B CG  1 
ATOM   134  O OD1 . ASN A 1 16  ? -31.212 -4.269  -40.537 1.00 35.79 ? 22  ASN B OD1 1 
ATOM   135  N ND2 . ASN A 1 16  ? -29.348 -5.311  -41.167 1.00 38.02 ? 22  ASN B ND2 1 
ATOM   136  N N   . THR A 1 17  ? -31.681 -7.474  -36.339 1.00 11.65 ? 23  THR B N   1 
ATOM   137  C CA  . THR A 1 17  ? -32.220 -8.609  -35.573 1.00 11.67 ? 23  THR B CA  1 
ATOM   138  C C   . THR A 1 17  ? -33.247 -8.142  -34.551 1.00 10.99 ? 23  THR B C   1 
ATOM   139  O O   . THR A 1 17  ? -33.937 -8.990  -33.947 1.00 11.18 ? 23  THR B O   1 
ATOM   140  C CB  . THR A 1 17  ? -31.135 -9.415  -34.829 1.00 11.63 ? 23  THR B CB  1 
ATOM   141  O OG1 . THR A 1 17  ? -30.562 -8.635  -33.791 1.00 11.76 ? 23  THR B OG1 1 
ATOM   142  C CG2 . THR A 1 17  ? -30.105 -9.936  -35.809 1.00 12.23 ? 23  THR B CG2 1 
ATOM   143  N N   . ALA A 1 18  ? -33.361 -6.837  -34.360 1.00 11.24 ? 24  ALA B N   1 
ATOM   144  C CA  . ALA A 1 18  ? -34.172 -6.293  -33.255 1.00 11.41 ? 24  ALA B CA  1 
ATOM   145  C C   . ALA A 1 18  ? -35.660 -6.516  -33.486 1.00 11.43 ? 24  ALA B C   1 
ATOM   146  O O   . ALA A 1 18  ? -36.163 -6.255  -34.611 1.00 12.64 ? 24  ALA B O   1 
ATOM   147  C CB  . ALA A 1 18  ? -33.877 -4.835  -33.055 1.00 12.03 ? 24  ALA B CB  1 
ATOM   148  N N   . ASN A 1 19  ? -36.391 -6.816  -32.442 1.00 11.66 ? 25  ASN B N   1 
ATOM   149  C CA  . ASN A 1 19  ? -37.861 -6.616  -32.511 1.00 12.61 ? 25  ASN B CA  1 
ATOM   150  C C   . ASN A 1 19  ? -38.129 -5.178  -33.004 1.00 13.29 ? 25  ASN B C   1 
ATOM   151  O O   . ASN A 1 19  ? -37.417 -4.229  -32.644 1.00 12.43 ? 25  ASN B O   1 
ATOM   152  C CB  . ASN A 1 19  ? -38.420 -6.907  -31.135 1.00 13.54 ? 25  ASN B CB  1 
ATOM   153  C CG  . ASN A 1 19  ? -39.906 -6.659  -31.073 1.00 15.18 ? 25  ASN B CG  1 
ATOM   154  O OD1 . ASN A 1 19  ? -40.359 -5.540  -30.854 1.00 15.77 ? 25  ASN B OD1 1 
ATOM   155  N ND2 . ASN A 1 19  ? -40.663 -7.674  -31.391 1.00 19.35 ? 25  ASN B ND2 1 
ATOM   156  N N   . SER A 1 20  ? -39.190 -5.018  -33.774 1.00 13.28 ? 26  SER B N   1 
ATOM   157  C CA  . SER A 1 20  ? -39.548 -3.732  -34.437 1.00 13.26 ? 26  SER B CA  1 
ATOM   158  C C   . SER A 1 20  ? -39.941 -2.665  -33.451 1.00 13.89 ? 26  SER B C   1 
ATOM   159  O O   . SER A 1 20  ? -40.022 -1.498  -33.970 1.00 14.57 ? 26  SER B O   1 
ATOM   160  C CB  . SER A 1 20  ? -40.661 -3.960  -35.412 1.00 15.15 ? 26  SER B CB  1 
ATOM   161  O OG  . SER A 1 20  ? -41.809 -4.387  -34.674 1.00 18.18 ? 26  SER B OG  1 
ATOM   162  N N   . TRP A 1 21  ? -40.151 -2.902  -32.182 1.00 12.15 ? 27  TRP B N   1 
ATOM   163  C CA  . TRP A 1 21  ? -40.440 -1.871  -31.180 1.00 14.16 ? 27  TRP B CA  1 
ATOM   164  C C   . TRP A 1 21  ? -39.199 -1.366  -30.447 1.00 14.57 ? 27  TRP B C   1 
ATOM   165  O O   . TRP A 1 21  ? -39.316 -0.501  -29.598 1.00 13.78 ? 27  TRP B O   1 
ATOM   166  C CB  . TRP A 1 21  ? -41.433 -2.414  -30.190 1.00 15.68 ? 27  TRP B CB  1 
ATOM   167  C CG  . TRP A 1 21  ? -42.825 -2.506  -30.747 1.00 16.99 ? 27  TRP B CG  1 
ATOM   168  C CD1 . TRP A 1 21  ? -43.247 -3.032  -31.934 1.00 15.44 ? 27  TRP B CD1 1 
ATOM   169  C CD2 . TRP A 1 21  ? -43.990 -2.056  -30.044 1.00 20.53 ? 27  TRP B CD2 1 
ATOM   170  N NE1 . TRP A 1 21  ? -44.626 -2.959  -32.020 1.00 19.59 ? 27  TRP B NE1 1 
ATOM   171  C CE2 . TRP A 1 21  ? -45.089 -2.360  -30.877 1.00 19.12 ? 27  TRP B CE2 1 
ATOM   172  C CE3 . TRP A 1 21  ? -44.213 -1.510  -28.766 1.00 22.77 ? 27  TRP B CE3 1 
ATOM   173  C CZ2 . TRP A 1 21  ? -46.404 -2.070  -30.461 1.00 23.13 ? 27  TRP B CZ2 1 
ATOM   174  C CZ3 . TRP A 1 21  ? -45.515 -1.228  -28.370 1.00 23.60 ? 27  TRP B CZ3 1 
ATOM   175  C CH2 . TRP A 1 21  ? -46.591 -1.558  -29.191 1.00 25.25 ? 27  TRP B CH2 1 
ATOM   176  N N   . LEU A 1 22  ? -38.014 -1.950  -30.735 1.00 12.86 ? 28  LEU B N   1 
ATOM   177  C CA  . LEU A 1 22  ? -36.798 -1.534  -29.991 1.00 12.75 ? 28  LEU B CA  1 
ATOM   178  C C   . LEU A 1 22  ? -36.183 -0.291  -30.647 1.00 11.92 ? 28  LEU B C   1 
ATOM   179  O O   . LEU A 1 22  ? -36.191 -0.132  -31.828 1.00 13.22 ? 28  LEU B O   1 
ATOM   180  C CB  . LEU A 1 22  ? -35.775 -2.675  -29.936 1.00 11.44 ? 28  LEU B CB  1 
ATOM   181  C CG  . LEU A 1 22  ? -36.247 -3.944  -29.232 1.00 12.15 ? 28  LEU B CG  1 
ATOM   182  C CD1 . LEU A 1 22  ? -35.154 -4.998  -29.224 1.00 11.85 ? 28  LEU B CD1 1 
ATOM   183  C CD2 . LEU A 1 22  ? -36.637 -3.659  -27.819 1.00 13.13 ? 28  LEU B CD2 1 
ATOM   184  N N   . ILE A 1 23  ? -35.537 0.466   -29.787 1.00 12.45 ? 29  ILE B N   1 
ATOM   185  C CA  . ILE A 1 23  ? -34.717 1.639   -30.184 1.00 13.85 ? 29  ILE B CA  1 
ATOM   186  C C   . ILE A 1 23  ? -33.286 1.387   -29.743 1.00 13.24 ? 29  ILE B C   1 
ATOM   187  O O   . ILE A 1 23  ? -33.031 1.322   -28.543 1.00 13.85 ? 29  ILE B O   1 
ATOM   188  C CB  . ILE A 1 23  ? -35.241 2.908   -29.578 1.00 14.06 ? 29  ILE B CB  1 
ATOM   189  C CG1 . ILE A 1 23  ? -36.698 3.177   -30.005 1.00 15.10 ? 29  ILE B CG1 1 
ATOM   190  C CG2 . ILE A 1 23  ? -34.360 4.106   -30.016 1.00 16.39 ? 29  ILE B CG2 1 
ATOM   191  C CD1 . ILE A 1 23  ? -37.353 4.272   -29.287 1.00 16.49 ? 29  ILE B CD1 1 
ATOM   192  N N   . ILE A 1 24  ? -32.469 1.169   -30.762 1.00 15.14 ? 30  ILE B N   1 
ATOM   193  C CA  . ILE A 1 24  ? -30.994 1.016   -30.555 1.00 15.95 ? 30  ILE B CA  1 
ATOM   194  C C   . ILE A 1 24  ? -30.306 2.364   -30.732 1.00 16.06 ? 30  ILE B C   1 
ATOM   195  O O   . ILE A 1 24  ? -30.563 3.071   -31.774 1.00 17.56 ? 30  ILE B O   1 
ATOM   196  C CB  . ILE A 1 24  ? -30.460 -0.046  -31.486 1.00 17.55 ? 30  ILE B CB  1 
ATOM   197  C CG1 . ILE A 1 24  ? -30.983 -1.390  -31.017 1.00 20.97 ? 30  ILE B CG1 1 
ATOM   198  C CG2 . ILE A 1 24  ? -28.937 -0.076  -31.491 1.00 16.81 ? 30  ILE B CG2 1 
ATOM   199  C CD1 . ILE A 1 24  ? -30.817 -2.408  -31.961 1.00 23.52 ? 30  ILE B CD1 1 
ATOM   200  N N   . SER A 1 25  ? -29.483 2.779   -29.812 1.00 15.38 ? 31  SER B N   1 
ATOM   201  C CA  . SER A 1 25  ? -28.780 4.075   -29.882 1.00 15.95 ? 31  SER B CA  1 
ATOM   202  C C   . SER A 1 25  ? -27.843 4.132   -31.094 1.00 14.15 ? 31  SER B C   1 
ATOM   203  O O   . SER A 1 25  ? -27.438 3.151   -31.656 1.00 14.51 ? 31  SER B O   1 
ATOM   204  C CB  . SER A 1 25  ? -28.065 4.312   -28.617 1.00 15.65 ? 31  SER B CB  1 
ATOM   205  O OG  . SER A 1 25  ? -27.076 3.284   -28.419 1.00 15.63 ? 31  SER B OG  1 
ATOM   206  N N   . LYS A 1 26  ? -27.504 5.370   -31.491 1.00 17.32 ? 32  LYS B N   1 
ATOM   207  C CA  . LYS A 1 26  ? -26.587 5.626   -32.639 1.00 17.53 ? 32  LYS B CA  1 
ATOM   208  C C   . LYS A 1 26  ? -25.269 4.848   -32.505 1.00 15.43 ? 32  LYS B C   1 
ATOM   209  O O   . LYS A 1 26  ? -24.849 4.304   -33.514 1.00 17.55 ? 32  LYS B O   1 
ATOM   210  C CB  . LYS A 1 26  ? -26.343 7.137   -32.724 1.00 22.08 ? 32  LYS B CB  1 
ATOM   211  C CG  . LYS A 1 26  ? -25.324 7.580   -33.743 1.00 24.14 ? 32  LYS B CG  1 
ATOM   212  C CD  . LYS A 1 26  ? -25.466 9.050   -34.002 1.00 24.26 ? 32  LYS B CD  1 
ATOM   213  C CE  . LYS A 1 26  ? -25.386 9.827   -32.716 1.00 27.53 ? 32  LYS B CE  1 
ATOM   214  N NZ  . LYS A 1 26  ? -25.294 11.274  -33.021 1.00 28.89 ? 32  LYS B NZ  1 
ATOM   215  N N   . ASP A 1 27  ? -24.696 4.798   -31.304 1.00 16.11 ? 33  ASP B N   1 
ATOM   216  C CA  . ASP A 1 27  ? -23.429 4.060   -31.071 1.00 15.52 ? 33  ASP B CA  1 
ATOM   217  C C   . ASP A 1 27  ? -23.620 2.535   -31.020 1.00 14.30 ? 33  ASP B C   1 
ATOM   218  O O   . ASP A 1 27  ? -22.619 1.819   -30.905 1.00 15.10 ? 33  ASP B O   1 
ATOM   219  C CB  . ASP A 1 27  ? -22.693 4.530   -29.824 1.00 17.11 ? 33  ASP B CB  1 
ATOM   220  C CG  . ASP A 1 27  ? -23.372 4.320   -28.491 1.00 17.33 ? 33  ASP B CG  1 
ATOM   221  O OD1 . ASP A 1 27  ? -24.463 3.666   -28.478 1.00 17.15 ? 33  ASP B OD1 1 
ATOM   222  O OD2 . ASP A 1 27  ? -22.772 4.739   -27.491 1.00 20.64 ? 33  ASP B OD2 1 
ATOM   223  N N   . ARG A 1 28  ? -24.860 2.050   -31.104 0.50 13.99 ? 34  ARG B N   1 
ATOM   224  C CA  . ARG A 1 28  ? -25.210 0.606   -31.093 0.50 14.19 ? 34  ARG B CA  1 
ATOM   225  C C   . ARG A 1 28  ? -24.773 -0.026  -29.763 0.50 12.46 ? 34  ARG B C   1 
ATOM   226  O O   . ARG A 1 28  ? -24.586 -1.256  -29.735 0.50 12.61 ? 34  ARG B O   1 
ATOM   227  C CB  . ARG A 1 28  ? -24.614 -0.092  -32.323 0.50 16.72 ? 34  ARG B CB  1 
ATOM   228  C CG  . ARG A 1 28  ? -25.121 0.466   -33.648 0.50 19.86 ? 34  ARG B CG  1 
ATOM   229  C CD  . ARG A 1 28  ? -24.332 0.000   -34.855 0.50 23.44 ? 34  ARG B CD  1 
ATOM   230  N NE  . ARG A 1 28  ? -24.306 1.018   -35.896 0.50 28.47 ? 34  ARG B NE  1 
ATOM   231  C CZ  . ARG A 1 28  ? -23.832 0.845   -37.125 0.50 30.46 ? 34  ARG B CZ  1 
ATOM   232  N NH1 . ARG A 1 28  ? -23.345 -0.328  -37.497 0.50 33.47 ? 34  ARG B NH1 1 
ATOM   233  N NH2 . ARG A 1 28  ? -23.861 1.847   -37.986 0.50 31.63 ? 34  ARG B NH2 1 
ATOM   234  N N   . ARG A 1 29  ? -24.744 0.744   -28.691 1.00 11.41 ? 35  ARG B N   1 
ATOM   235  C CA  . ARG A 1 29  ? -24.354 0.216   -27.371 1.00 12.68 ? 35  ARG B CA  1 
ATOM   236  C C   . ARG A 1 29  ? -25.492 0.203   -26.358 1.00 12.39 ? 35  ARG B C   1 
ATOM   237  O O   . ARG A 1 29  ? -25.327 -0.366  -25.271 1.00 13.87 ? 35  ARG B O   1 
ATOM   238  C CB  . ARG A 1 29  ? -23.175 1.005   -26.789 1.00 13.05 ? 35  ARG B CB  1 
ATOM   239  C CG  . ARG A 1 29  ? -21.920 0.935   -27.634 1.00 14.44 ? 35  ARG B CG  1 
ATOM   240  C CD  . ARG A 1 29  ? -21.090 -0.287  -27.375 1.00 15.46 ? 35  ARG B CD  1 
ATOM   241  N NE  . ARG A 1 29  ? -20.322 -0.109  -26.146 1.00 16.35 ? 35  ARG B NE  1 
ATOM   242  C CZ  . ARG A 1 29  ? -19.603 -1.071  -25.555 1.00 15.48 ? 35  ARG B CZ  1 
ATOM   243  N NH1 . ARG A 1 29  ? -19.519 -2.243  -26.134 1.00 16.17 ? 35  ARG B NH1 1 
ATOM   244  N NH2 . ARG A 1 29  ? -18.976 -0.792  -24.434 1.00 18.31 ? 35  ARG B NH2 1 
ATOM   245  N N   . GLN A 1 30  ? -26.648 0.769   -26.666 1.00 12.87 ? 36  GLN B N   1 
ATOM   246  C CA  . GLN A 1 30  ? -27.810 0.783   -25.774 1.00 12.96 ? 36  GLN B CA  1 
ATOM   247  C C   . GLN A 1 30  ? -29.058 0.377   -26.530 1.00 11.54 ? 36  GLN B C   1 
ATOM   248  O O   . GLN A 1 30  ? -29.191 0.643   -27.760 1.00 12.15 ? 36  GLN B O   1 
ATOM   249  C CB  . GLN A 1 30  ? -28.051 2.178   -25.197 1.00 15.60 ? 36  GLN B CB  1 
ATOM   250  C CG  . GLN A 1 30  ? -26.818 2.816   -24.596 1.00 16.37 ? 36  GLN B CG  1 
ATOM   251  C CD  . GLN A 1 30  ? -27.164 4.058   -23.800 1.00 20.11 ? 36  GLN B CD  1 
ATOM   252  O OE1 . GLN A 1 30  ? -28.321 4.295   -23.452 1.00 22.76 ? 36  GLN B OE1 1 
ATOM   253  N NE2 . GLN A 1 30  ? -26.167 4.896   -23.569 1.00 23.62 ? 36  GLN B NE2 1 
ATOM   254  N N   . VAL A 1 31  ? -29.954 -0.403  -25.923 0.38 11.35 ? 37  VAL B N   1 
ATOM   255  C CA  . VAL A 1 31  ? -31.234 -0.802  -26.581 0.38 11.23 ? 37  VAL B CA  1 
ATOM   256  C C   . VAL A 1 31  ? -32.380 -0.567  -25.595 0.38 11.33 ? 37  VAL B C   1 
ATOM   257  O O   . VAL A 1 31  ? -32.201 -0.818  -24.400 0.38 11.15 ? 37  VAL B O   1 
ATOM   258  C CB  . VAL A 1 31  ? -31.200 -2.243  -27.133 0.38 11.13 ? 37  VAL B CB  1 
ATOM   259  C CG1 . VAL A 1 31  ? -30.927 -3.295  -26.071 0.38 10.86 ? 37  VAL B CG1 1 
ATOM   260  C CG2 . VAL A 1 31  ? -32.475 -2.572  -27.908 0.38 11.32 ? 37  VAL B CG2 1 
ATOM   261  N N   . ARG A 1 32  ? -33.532 -0.092  -26.068 0.38 11.07 ? 38  ARG B N   1 
ATOM   262  C CA  . ARG A 1 32  ? -34.742 0.004   -25.209 0.38 11.65 ? 38  ARG B CA  1 
ATOM   263  C C   . ARG A 1 32  ? -35.985 -0.153  -26.089 0.38 10.67 ? 38  ARG B C   1 
ATOM   264  O O   . ARG A 1 32  ? -35.872 -0.022  -27.324 0.38 10.32 ? 38  ARG B O   1 
ATOM   265  C CB  . ARG A 1 32  ? -34.737 1.316   -24.421 0.38 13.11 ? 38  ARG B CB  1 
ATOM   266  C CG  . ARG A 1 32  ? -35.115 2.521   -25.259 0.38 13.75 ? 38  ARG B CG  1 
ATOM   267  C CD  . ARG A 1 32  ? -34.576 3.840   -24.728 0.38 15.19 ? 38  ARG B CD  1 
ATOM   268  N NE  . ARG A 1 32  ? -34.768 4.884   -25.726 0.38 15.76 ? 38  ARG B NE  1 
ATOM   269  C CZ  . ARG A 1 32  ? -35.855 5.646   -25.832 0.38 16.50 ? 38  ARG B CZ  1 
ATOM   270  N NH1 . ARG A 1 32  ? -36.874 5.471   -25.008 0.38 16.31 ? 38  ARG B NH1 1 
ATOM   271  N NH2 . ARG A 1 32  ? -35.927 6.571   -26.771 0.38 16.86 ? 38  ARG B NH2 1 
ATOM   272  N N   . MET A 1 33  ? -37.110 -0.483  -25.463 0.38 10.85 ? 39  MET B N   1 
ATOM   273  C CA  . MET A 1 33  ? -38.414 -0.630  -26.153 0.38 10.93 ? 39  MET B CA  1 
ATOM   274  C C   . MET A 1 33  ? -38.989 0.769   -26.393 0.38 10.32 ? 39  MET B C   1 
ATOM   275  O O   . MET A 1 33  ? -39.002 1.619   -25.467 0.38 9.41  ? 39  MET B O   1 
ATOM   276  C CB  . MET A 1 33  ? -39.404 -1.476  -25.340 0.38 13.07 ? 39  MET B CB  1 
ATOM   277  C CG  . MET A 1 33  ? -40.639 -1.963  -26.131 0.38 13.67 ? 39  MET B CG  1 
ATOM   278  S SD  . MET A 1 33  ? -41.461 -3.293  -25.219 0.38 17.99 ? 39  MET B SD  1 
ATOM   279  C CE  . MET A 1 33  ? -42.111 -4.225  -26.600 0.38 16.95 ? 39  MET B CE  1 
ATOM   280  N N   . GLY A 1 34  ? -39.396 1.002   -27.629 0.38 9.69  ? 40  GLY B N   1 
ATOM   281  C CA  . GLY A 1 34  ? -40.093 2.226   -28.031 0.38 9.85  ? 40  GLY B CA  1 
ATOM   282  C C   . GLY A 1 34  ? -41.548 2.194   -27.599 0.38 9.74  ? 40  GLY B C   1 
ATOM   283  O O   . GLY A 1 34  ? -42.028 1.103   -27.222 0.38 9.55  ? 40  GLY B O   1 
ATOM   284  N N   . ASP A 1 35  ? -42.199 3.352   -27.667 0.38 10.62 ? 41  ASP B N   1 
ATOM   285  C CA  . ASP A 1 35  ? -43.607 3.595   -27.236 0.38 13.49 ? 41  ASP B CA  1 
ATOM   286  C C   . ASP A 1 35  ? -44.534 2.764   -28.105 0.38 14.89 ? 41  ASP B C   1 
ATOM   287  O O   . ASP A 1 35  ? -45.592 2.256   -27.598 0.38 16.31 ? 41  ASP B O   1 
ATOM   288  C CB  . ASP A 1 35  ? -44.010 5.070   -27.346 0.38 14.82 ? 41  ASP B CB  1 
ATOM   289  C CG  . ASP A 1 35  ? -43.097 5.872   -28.250 0.38 17.12 ? 41  ASP B CG  1 
ATOM   290  O OD1 . ASP A 1 35  ? -41.873 5.566   -28.248 0.38 19.03 ? 41  ASP B OD1 1 
ATOM   291  O OD2 . ASP A 1 35  ? -43.590 6.795   -28.929 0.38 20.94 ? 41  ASP B OD2 1 
ATOM   292  N N   . THR A 1 36  ? -44.194 2.753   -29.383 0.38 15.13 ? 42  THR B N   1 
ATOM   293  C CA  . THR A 1 36  ? -44.942 2.057   -30.446 0.38 16.88 ? 42  THR B CA  1 
ATOM   294  C C   . THR A 1 36  ? -43.892 1.260   -31.203 0.38 15.93 ? 42  THR B C   1 
ATOM   295  O O   . THR A 1 36  ? -42.741 1.161   -30.680 0.38 16.16 ? 42  THR B O   1 
ATOM   296  C CB  . THR A 1 36  ? -45.708 3.072   -31.303 0.38 17.95 ? 42  THR B CB  1 
ATOM   297  O OG1 . THR A 1 36  ? -46.338 2.392   -32.393 0.38 19.46 ? 42  THR B OG1 1 
ATOM   298  C CG2 . THR A 1 36  ? -44.812 4.176   -31.828 0.38 19.11 ? 42  THR B CG2 1 
ATOM   299  N N   . HIS A 1 37  ? -44.295 0.732   -32.352 0.38 15.55 ? 43  HIS B N   1 
ATOM   300  C CA  . HIS A 1 37  ? -43.462 0.256   -33.484 0.38 13.98 ? 43  HIS B CA  1 
ATOM   301  C C   . HIS A 1 37  ? -42.494 1.363   -33.954 0.38 14.99 ? 43  HIS B C   1 
ATOM   302  O O   . HIS A 1 37  ? -42.971 2.539   -33.937 0.38 14.85 ? 43  HIS B O   1 
ATOM   303  C CB  . HIS A 1 37  ? -44.489 -0.188  -34.527 0.38 13.03 ? 43  HIS B CB  1 
ATOM   304  C CG  . HIS A 1 37  ? -43.913 -0.857  -35.708 0.38 12.01 ? 43  HIS B CG  1 
ATOM   305  N ND1 . HIS A 1 37  ? -43.132 -0.187  -36.613 0.38 12.00 ? 43  HIS B ND1 1 
ATOM   306  C CD2 . HIS A 1 37  ? -44.031 -2.128  -36.145 0.38 12.13 ? 43  HIS B CD2 1 
ATOM   307  C CE1 . HIS A 1 37  ? -42.765 -1.021  -37.566 0.38 12.12 ? 43  HIS B CE1 1 
ATOM   308  N NE2 . HIS A 1 37  ? -43.313 -2.226  -37.300 0.38 12.08 ? 43  HIS B NE2 1 
ATOM   309  N N   . GLN A 1 38  ? -41.251 1.022   -34.406 1.00 14.48 ? 44  GLN B N   1 
ATOM   310  C CA  . GLN A 1 38  ? -40.183 1.993   -34.746 1.00 14.55 ? 44  GLN B CA  1 
ATOM   311  C C   . GLN A 1 38  ? -39.964 2.196   -36.253 1.00 16.36 ? 44  GLN B C   1 
ATOM   312  O O   . GLN A 1 38  ? -38.937 2.772   -36.659 1.00 17.55 ? 44  GLN B O   1 
ATOM   313  C CB  . GLN A 1 38  ? -38.917 1.591   -34.008 1.00 14.90 ? 44  GLN B CB  1 
ATOM   314  C CG  . GLN A 1 38  ? -39.074 1.717   -32.527 1.00 13.65 ? 44  GLN B CG  1 
ATOM   315  C CD  . GLN A 1 38  ? -39.537 3.066   -32.013 1.00 14.58 ? 44  GLN B CD  1 
ATOM   316  O OE1 . GLN A 1 38  ? -40.474 3.210   -31.215 1.00 17.67 ? 44  GLN B OE1 1 
ATOM   317  N NE2 . GLN A 1 38  ? -38.884 4.108   -32.513 1.00 14.40 ? 44  GLN B NE2 1 
ATOM   318  N N   . ASN A 1 39  ? -40.935 1.867   -37.101 1.00 15.14 ? 45  ASN B N   1 
ATOM   319  C CA  . ASN A 1 39  ? -40.981 2.371   -38.485 1.00 14.32 ? 45  ASN B CA  1 
ATOM   320  C C   . ASN A 1 39  ? -39.905 1.734   -39.336 1.00 16.51 ? 45  ASN B C   1 
ATOM   321  O O   . ASN A 1 39  ? -39.463 2.326   -40.343 1.00 16.78 ? 45  ASN B O   1 
ATOM   322  C CB  . ASN A 1 39  ? -41.025 3.918   -38.555 1.00 14.83 ? 45  ASN B CB  1 
ATOM   323  C CG  . ASN A 1 39  ? -41.736 4.377   -39.823 1.00 14.42 ? 45  ASN B CG  1 
ATOM   324  O OD1 . ASN A 1 39  ? -42.598 3.717   -40.358 1.00 12.89 ? 45  ASN B OD1 1 
ATOM   325  N ND2 . ASN A 1 39  ? -41.305 5.513   -40.405 1.00 14.83 ? 45  ASN B ND2 1 
ATOM   326  N N   . VAL A 1 40  ? -39.610 0.440   -39.079 1.00 17.19 ? 46  VAL B N   1 
ATOM   327  C CA  . VAL A 1 40  ? -38.625 -0.393  -39.814 1.00 18.45 ? 46  VAL B CA  1 
ATOM   328  C C   . VAL A 1 40  ? -39.398 -1.444  -40.637 1.00 14.91 ? 46  VAL B C   1 
ATOM   329  O O   . VAL A 1 40  ? -40.479 -1.873  -40.172 1.00 16.60 ? 46  VAL B O   1 
ATOM   330  C CB  . VAL A 1 40  ? -37.611 -1.034  -38.824 1.00 18.73 ? 46  VAL B CB  1 
ATOM   331  C CG1 . VAL A 1 40  ? -36.705 0.040   -38.221 1.00 21.87 ? 46  VAL B CG1 1 
ATOM   332  C CG2 . VAL A 1 40  ? -38.265 -1.881  -37.732 1.00 20.93 ? 46  VAL B CG2 1 
ATOM   333  N N   . SER A 1 41  ? -38.897 -1.918  -41.749 1.00 18.21 ? 47  SER B N   1 
ATOM   334  C CA  . SER A 1 41  ? -39.493 -3.036  -42.480 1.00 17.41 ? 47  SER B CA  1 
ATOM   335  C C   . SER A 1 41  ? -39.275 -4.329  -41.694 1.00 16.09 ? 47  SER B C   1 
ATOM   336  O O   . SER A 1 41  ? -38.310 -4.455  -40.885 1.00 15.55 ? 47  SER B O   1 
ATOM   337  C CB  . SER A 1 41  ? -38.923 -3.145  -43.852 1.00 20.64 ? 47  SER B CB  1 
ATOM   338  O OG  . SER A 1 41  ? -37.521 -3.388  -43.795 1.00 22.55 ? 47  SER B OG  1 
ATOM   339  N N   . ASP A 1 42  ? -40.150 -5.315  -41.904 0.50 14.89 ? 48  ASP B N   1 
ATOM   340  C CA  . ASP A 1 42  ? -40.002 -6.665  -41.292 0.50 15.04 ? 48  ASP B CA  1 
ATOM   341  C C   . ASP A 1 42  ? -38.962 -7.438  -42.103 0.50 16.14 ? 48  ASP B C   1 
ATOM   342  O O   . ASP A 1 42  ? -38.729 -7.110  -43.289 0.50 16.73 ? 48  ASP B O   1 
ATOM   343  C CB  . ASP A 1 42  ? -41.346 -7.404  -41.193 0.50 15.35 ? 48  ASP B CB  1 
ATOM   344  C CG  . ASP A 1 42  ? -41.408 -8.396  -40.032 0.50 15.14 ? 48  ASP B CG  1 
ATOM   345  O OD1 . ASP A 1 42  ? -40.366 -8.558  -39.352 0.50 15.09 ? 48  ASP B OD1 1 
ATOM   346  O OD2 . ASP A 1 42  ? -42.488 -9.008  -39.804 0.50 14.69 ? 48  ASP B OD2 1 
ATOM   347  N N   . ASN A 1 43  ? -38.325 -8.429  -41.470 1.00 14.95 ? 49  ASN B N   1 
ATOM   348  C CA  . ASN A 1 43  ? -37.377 -9.321  -42.146 1.00 16.11 ? 49  ASN B CA  1 
ATOM   349  C C   . ASN A 1 43  ? -37.314 -10.605 -41.328 1.00 16.98 ? 49  ASN B C   1 
ATOM   350  O O   . ASN A 1 43  ? -37.846 -10.654 -40.199 1.00 16.54 ? 49  ASN B O   1 
ATOM   351  C CB  . ASN A 1 43  ? -36.048 -8.613  -42.331 1.00 16.32 ? 49  ASN B CB  1 
ATOM   352  C CG  . ASN A 1 43  ? -35.295 -8.413  -41.032 1.00 17.05 ? 49  ASN B CG  1 
ATOM   353  O OD1 . ASN A 1 43  ? -35.134 -9.346  -40.249 1.00 18.14 ? 49  ASN B OD1 1 
ATOM   354  N ND2 . ASN A 1 43  ? -34.860 -7.235  -40.732 1.00 15.94 ? 49  ASN B ND2 1 
ATOM   355  N N   . LYS A 1 44  ? -36.741 -11.627 -41.910 1.00 17.73 ? 50  LYS B N   1 
ATOM   356  C CA  . LYS A 1 44  ? -36.745 -12.963 -41.273 1.00 18.13 ? 50  LYS B CA  1 
ATOM   357  C C   . LYS A 1 44  ? -35.827 -13.027 -40.035 1.00 15.96 ? 50  LYS B C   1 
ATOM   358  O O   . LYS A 1 44  ? -35.982 -13.966 -39.258 1.00 17.22 ? 50  LYS B O   1 
ATOM   359  C CB  . LYS A 1 44  ? -36.280 -14.014 -42.285 1.00 21.32 ? 50  LYS B CB  1 
ATOM   360  C CG  . LYS A 1 44  ? -34.836 -13.880 -42.711 1.00 27.56 ? 50  LYS B CG  1 
ATOM   361  C CD  . LYS A 1 44  ? -34.484 -14.513 -44.067 1.00 37.70 ? 50  LYS B CD  1 
ATOM   362  C CE  . LYS A 1 44  ? -33.018 -14.883 -44.172 1.00 43.08 ? 50  LYS B CE  1 
ATOM   363  N NZ  . LYS A 1 44  ? -32.804 -15.957 -45.173 1.00 46.25 ? 50  LYS B NZ  1 
ATOM   364  N N   . GLU A 1 45  ? -34.927 -12.054 -39.855 0.50 15.83 ? 51  GLU B N   1 
ATOM   365  C CA  . GLU A 1 45  ? -33.996 -12.029 -38.687 0.50 16.09 ? 51  GLU B CA  1 
ATOM   366  C C   . GLU A 1 45  ? -34.673 -11.466 -37.426 0.50 15.16 ? 51  GLU B C   1 
ATOM   367  O O   . GLU A 1 45  ? -34.162 -11.728 -36.310 0.50 15.27 ? 51  GLU B O   1 
ATOM   368  C CB  . GLU A 1 45  ? -32.749 -11.188 -38.959 0.50 17.91 ? 51  GLU B CB  1 
ATOM   369  C CG  . GLU A 1 45  ? -32.073 -11.448 -40.294 0.50 20.57 ? 51  GLU B CG  1 
ATOM   370  C CD  . GLU A 1 45  ? -31.966 -12.886 -40.762 0.50 23.90 ? 51  GLU B CD  1 
ATOM   371  O OE1 . GLU A 1 45  ? -32.073 -13.099 -41.994 0.50 26.70 ? 51  GLU B OE1 1 
ATOM   372  O OE2 . GLU A 1 45  ? -31.744 -13.780 -39.917 0.50 25.82 ? 51  GLU B OE2 1 
ATOM   373  N N   . ARG A 1 46  ? -35.729 -10.656 -37.547 1.00 13.86 ? 52  ARG B N   1 
ATOM   374  C CA  . ARG A 1 46  ? -36.261 -9.972  -36.346 1.00 12.72 ? 52  ARG B CA  1 
ATOM   375  C C   . ARG A 1 46  ? -36.957 -10.910 -35.378 1.00 12.68 ? 52  ARG B C   1 
ATOM   376  O O   . ARG A 1 46  ? -37.803 -11.707 -35.789 1.00 13.74 ? 52  ARG B O   1 
ATOM   377  C CB  . ARG A 1 46  ? -37.256 -8.868  -36.721 1.00 12.77 ? 52  ARG B CB  1 
ATOM   378  C CG  . ARG A 1 46  ? -36.705 -7.759  -37.574 1.00 14.09 ? 52  ARG B CG  1 
ATOM   379  C CD  . ARG A 1 46  ? -37.601 -6.503  -37.524 1.00 13.95 ? 52  ARG B CD  1 
ATOM   380  N NE  . ARG A 1 46  ? -37.088 -5.481  -38.418 1.00 15.94 ? 52  ARG B NE  1 
ATOM   381  C CZ  . ARG A 1 46  ? -35.985 -4.749  -38.214 1.00 14.99 ? 52  ARG B CZ  1 
ATOM   382  N NH1 . ARG A 1 46  ? -35.362 -4.753  -37.034 1.00 14.25 ? 52  ARG B NH1 1 
ATOM   383  N NH2 . ARG A 1 46  ? -35.517 -3.943  -39.161 1.00 18.44 ? 52  ARG B NH2 1 
ATOM   384  N N   . PHE A 1 47  ? -36.685 -10.802 -34.080 1.00 11.94 ? 53  PHE B N   1 
ATOM   385  C CA  . PHE A 1 47  ? -37.484 -11.497 -33.071 1.00 12.12 ? 53  PHE B CA  1 
ATOM   386  C C   . PHE A 1 47  ? -38.902 -10.920 -33.096 1.00 13.62 ? 53  PHE B C   1 
ATOM   387  O O   . PHE A 1 47  ? -39.037 -9.714  -32.863 1.00 13.46 ? 53  PHE B O   1 
ATOM   388  C CB  . PHE A 1 47  ? -36.869 -11.389 -31.689 1.00 11.22 ? 53  PHE B CB  1 
ATOM   389  C CG  . PHE A 1 47  ? -35.624 -12.245 -31.558 1.00 11.15 ? 53  PHE B CG  1 
ATOM   390  C CD1 . PHE A 1 47  ? -35.731 -13.598 -31.280 1.00 11.94 ? 53  PHE B CD1 1 
ATOM   391  C CD2 . PHE A 1 47  ? -34.362 -11.692 -31.648 1.00 12.09 ? 53  PHE B CD2 1 
ATOM   392  C CE1 . PHE A 1 47  ? -34.595 -14.402 -31.146 1.00 12.35 ? 53  PHE B CE1 1 
ATOM   393  C CE2 . PHE A 1 47  ? -33.220 -12.491 -31.490 1.00 12.17 ? 53  PHE B CE2 1 
ATOM   394  C CZ  . PHE A 1 47  ? -33.365 -13.834 -31.227 1.00 10.77 ? 53  PHE B CZ  1 
ATOM   395  N N   . SER A 1 48  ? -39.930 -11.716 -33.289 1.00 13.38 ? 54  SER B N   1 
ATOM   396  C CA  . SER A 1 48  ? -41.303 -11.176 -33.509 1.00 14.69 ? 54  SER B CA  1 
ATOM   397  C C   . SER A 1 48  ? -42.046 -11.073 -32.212 1.00 14.58 ? 54  SER B C   1 
ATOM   398  O O   . SER A 1 48  ? -42.861 -10.107 -32.061 1.00 18.12 ? 54  SER B O   1 
ATOM   399  C CB  . SER A 1 48  ? -42.065 -12.064 -34.517 1.00 15.66 ? 54  SER B CB  1 
ATOM   400  O OG  . SER A 1 48  ? -42.203 -13.390 -34.035 1.00 15.33 ? 54  SER B OG  1 
ATOM   401  N N   . ASN A 1 49  ? -41.901 -11.981 -31.293 1.00 14.07 ? 55  ASN B N   1 
ATOM   402  C CA  . ASN A 1 49  ? -42.832 -12.106 -30.150 1.00 15.14 ? 55  ASN B CA  1 
ATOM   403  C C   . ASN A 1 49  ? -42.343 -11.418 -28.885 1.00 15.04 ? 55  ASN B C   1 
ATOM   404  O O   . ASN A 1 49  ? -43.097 -11.286 -27.926 1.00 15.87 ? 55  ASN B O   1 
ATOM   405  C CB  . ASN A 1 49  ? -43.141 -13.565 -29.794 1.00 16.99 ? 55  ASN B CB  1 
ATOM   406  C CG  . ASN A 1 49  ? -44.080 -14.237 -30.787 1.00 17.44 ? 55  ASN B CG  1 
ATOM   407  O OD1 . ASN A 1 49  ? -43.895 -14.141 -31.981 1.00 19.96 ? 55  ASN B OD1 1 
ATOM   408  N ND2 . ASN A 1 49  ? -45.015 -15.027 -30.253 1.00 22.56 ? 55  ASN B ND2 1 
ATOM   409  N N   . TYR A 1 50  ? -41.031 -11.105 -28.826 1.00 13.02 ? 56  TYR B N   1 
ATOM   410  C CA  . TYR A 1 50  ? -40.404 -10.621 -27.577 1.00 12.21 ? 56  TYR B CA  1 
ATOM   411  C C   . TYR A 1 50  ? -39.468 -9.459  -27.883 1.00 11.02 ? 56  TYR B C   1 
ATOM   412  O O   . TYR A 1 50  ? -38.965 -9.414  -28.984 1.00 11.75 ? 56  TYR B O   1 
ATOM   413  C CB  . TYR A 1 50  ? -39.607 -11.743 -26.912 1.00 11.81 ? 56  TYR B CB  1 
ATOM   414  C CG  . TYR A 1 50  ? -40.316 -13.074 -26.794 1.00 12.91 ? 56  TYR B CG  1 
ATOM   415  C CD1 . TYR A 1 50  ? -41.315 -13.250 -25.846 1.00 15.65 ? 56  TYR B CD1 1 
ATOM   416  C CD2 . TYR A 1 50  ? -40.034 -14.152 -27.615 1.00 13.94 ? 56  TYR B CD2 1 
ATOM   417  C CE1 . TYR A 1 50  ? -41.985 -14.467 -25.706 1.00 16.94 ? 56  TYR B CE1 1 
ATOM   418  C CE2 . TYR A 1 50  ? -40.734 -15.344 -27.538 1.00 14.14 ? 56  TYR B CE2 1 
ATOM   419  C CZ  . TYR A 1 50  ? -41.681 -15.511 -26.548 1.00 14.88 ? 56  TYR B CZ  1 
ATOM   420  O OH  . TYR A 1 50  ? -42.300 -16.737 -26.509 1.00 16.19 ? 56  TYR B OH  1 
ATOM   421  N N   . PRO A 1 51  ? -39.146 -8.596  -26.890 1.00 11.52 ? 57  PRO B N   1 
ATOM   422  C CA  . PRO A 1 51  ? -38.283 -7.422  -27.122 1.00 11.27 ? 57  PRO B CA  1 
ATOM   423  C C   . PRO A 1 51  ? -36.765 -7.759  -27.097 1.00 9.84  ? 57  PRO B C   1 
ATOM   424  O O   . PRO A 1 51  ? -35.996 -7.222  -26.317 1.00 10.37 ? 57  PRO B O   1 
ATOM   425  C CB  . PRO A 1 51  ? -38.715 -6.415  -26.005 1.00 13.09 ? 57  PRO B CB  1 
ATOM   426  C CG  . PRO A 1 51  ? -39.871 -7.068  -25.312 1.00 15.54 ? 57  PRO B CG  1 
ATOM   427  C CD  . PRO A 1 51  ? -39.753 -8.542  -25.569 1.00 13.04 ? 57  PRO B CD  1 
ATOM   428  N N   . MET A 1 52  ? -36.393 -8.644  -28.043 1.00 9.95  ? 58  MET B N   1 
ATOM   429  C CA  . MET A 1 52  ? -35.039 -9.252  -28.119 1.00 9.18  ? 58  MET B CA  1 
ATOM   430  C C   . MET A 1 52  ? -34.270 -8.664  -29.277 1.00 9.52  ? 58  MET B C   1 
ATOM   431  O O   . MET A 1 52  ? -34.796 -8.187  -30.315 1.00 10.13 ? 58  MET B O   1 
ATOM   432  C CB  . MET A 1 52  ? -35.154 -10.757 -28.287 1.00 10.01 ? 58  MET B CB  1 
ATOM   433  C CG  . MET A 1 52  ? -35.720 -11.443 -27.093 1.00 9.72  ? 58  MET B CG  1 
ATOM   434  S SD  . MET A 1 52  ? -36.222 -13.147 -27.505 1.00 11.39 ? 58  MET B SD  1 
ATOM   435  C CE  . MET A 1 52  ? -36.825 -13.784 -25.946 1.00 12.42 ? 58  MET B CE  1 
ATOM   436  N N   . VAL A 1 53  ? -32.943 -8.720  -29.106 1.00 9.49  ? 59  VAL B N   1 
ATOM   437  C CA  . VAL A 1 53  ? -31.954 -8.266  -30.113 1.00 9.71  ? 59  VAL B CA  1 
ATOM   438  C C   . VAL A 1 53  ? -30.660 -9.066  -29.904 1.00 9.85  ? 59  VAL B C   1 
ATOM   439  O O   . VAL A 1 53  ? -30.341 -9.433  -28.749 1.00 10.34 ? 59  VAL B O   1 
ATOM   440  C CB  . VAL A 1 53  ? -31.739 -6.727  -30.095 1.00 10.36 ? 59  VAL B CB  1 
ATOM   441  C CG1 . VAL A 1 53  ? -31.211 -6.257  -28.750 1.00 10.85 ? 59  VAL B CG1 1 
ATOM   442  C CG2 . VAL A 1 53  ? -30.880 -6.235  -31.249 1.00 11.00 ? 59  VAL B CG2 1 
ATOM   443  N N   . LEU A 1 54  ? -29.901 -9.258  -30.961 1.00 9.14  ? 60  LEU B N   1 
ATOM   444  C CA  . LEU A 1 54  ? -28.567 -9.916  -30.906 1.00 9.13  ? 60  LEU B CA  1 
ATOM   445  C C   . LEU A 1 54  ? -27.458 -8.905  -31.041 1.00 9.90  ? 60  LEU B C   1 
ATOM   446  O O   . LEU A 1 54  ? -27.572 -7.843  -31.741 1.00 11.34 ? 60  LEU B O   1 
ATOM   447  C CB  . LEU A 1 54  ? -28.390 -10.961 -31.998 1.00 10.13 ? 60  LEU B CB  1 
ATOM   448  C CG  . LEU A 1 54  ? -29.478 -12.003 -32.028 1.00 10.12 ? 60  LEU B CG  1 
ATOM   449  C CD1 . LEU A 1 54  ? -29.191 -13.102 -33.053 1.00 11.16 ? 60  LEU B CD1 1 
ATOM   450  C CD2 . LEU A 1 54  ? -29.690 -12.650 -30.666 1.00 10.18 ? 60  LEU B CD2 1 
ATOM   451  N N   . GLY A 1 55  ? -26.297 -9.211  -30.457 1.00 9.74  ? 61  GLY B N   1 
ATOM   452  C CA  . GLY A 1 55  ? -25.040 -8.542  -30.833 1.00 10.17 ? 61  GLY B CA  1 
ATOM   453  C C   . GLY A 1 55  ? -24.617 -8.882  -32.267 1.00 10.41 ? 61  GLY B C   1 
ATOM   454  O O   . GLY A 1 55  ? -24.954 -9.917  -32.768 1.00 10.89 ? 61  GLY B O   1 
ATOM   455  N N   . ALA A 1 56  ? -23.874 -7.975  -32.891 1.00 11.56 ? 62  ALA B N   1 
ATOM   456  C CA  . ALA A 1 56  ? -23.351 -8.180  -34.267 1.00 12.68 ? 62  ALA B CA  1 
ATOM   457  C C   . ALA A 1 56  ? -22.241 -9.221  -34.285 1.00 13.19 ? 62  ALA B C   1 
ATOM   458  O O   . ALA A 1 56  ? -22.098 -9.932  -35.274 1.00 15.87 ? 62  ALA B O   1 
ATOM   459  C CB  . ALA A 1 56  ? -22.868 -6.910  -34.871 1.00 14.11 ? 62  ALA B CB  1 
ATOM   460  N N   . GLN A 1 57  ? -21.474 -9.303  -33.227 1.00 12.38 ? 63  GLN B N   1 
ATOM   461  C CA  . GLN A 1 57  ? -20.279 -10.170 -33.203 1.00 13.22 ? 63  GLN B CA  1 
ATOM   462  C C   . GLN A 1 57  ? -20.697 -11.644 -33.173 1.00 13.17 ? 63  GLN B C   1 
ATOM   463  O O   . GLN A 1 57  ? -21.713 -12.054 -32.533 1.00 13.63 ? 63  GLN B O   1 
ATOM   464  C CB  . GLN A 1 57  ? -19.433 -9.812  -31.975 1.00 15.16 ? 63  GLN B CB  1 
ATOM   465  C CG  . GLN A 1 57  ? -18.752 -8.457  -32.074 1.00 16.58 ? 63  GLN B CG  1 
ATOM   466  C CD  . GLN A 1 57  ? -19.720 -7.288  -31.955 1.00 15.53 ? 63  GLN B CD  1 
ATOM   467  O OE1 . GLN A 1 57  ? -20.689 -7.359  -31.187 1.00 15.14 ? 63  GLN B OE1 1 
ATOM   468  N NE2 . GLN A 1 57  ? -19.425 -6.182  -32.608 1.00 18.29 ? 63  GLN B NE2 1 
ATOM   469  N N   . ARG A 1 58  ? -19.966 -12.505 -33.914 1.00 13.89 ? 64  ARG B N   1 
ATOM   470  C CA  . ARG A 1 58  ? -20.106 -13.968 -33.888 1.00 14.25 ? 64  ARG B CA  1 
ATOM   471  C C   . ARG A 1 58  ? -18.850 -14.588 -33.296 1.00 13.07 ? 64  ARG B C   1 
ATOM   472  O O   . ARG A 1 58  ? -17.746 -14.160 -33.668 1.00 15.98 ? 64  ARG B O   1 
ATOM   473  C CB  . ARG A 1 58  ? -20.263 -14.564 -35.305 1.00 17.20 ? 64  ARG B CB  1 
ATOM   474  C CG  . ARG A 1 58  ? -21.647 -14.528 -35.958 1.00 26.03 ? 64  ARG B CG  1 
ATOM   475  C CD  . ARG A 1 58  ? -22.230 -13.138 -35.850 1.00 24.15 ? 64  ARG B CD  1 
ATOM   476  N NE  . ARG A 1 58  ? -23.053 -12.323 -36.758 1.00 30.98 ? 64  ARG B NE  1 
ATOM   477  C CZ  . ARG A 1 58  ? -23.768 -12.721 -37.801 1.00 27.38 ? 64  ARG B CZ  1 
ATOM   478  N NH1 . ARG A 1 58  ? -24.436 -11.810 -38.492 1.00 32.41 ? 64  ARG B NH1 1 
ATOM   479  N NH2 . ARG A 1 58  ? -23.817 -13.985 -38.158 1.00 32.90 ? 64  ARG B NH2 1 
ATOM   480  N N   . PHE A 1 59  ? -18.989 -15.524 -32.397 1.00 11.67 ? 65  PHE B N   1 
ATOM   481  C CA  . PHE A 1 59  ? -17.835 -16.187 -31.749 1.00 12.57 ? 65  PHE B CA  1 
ATOM   482  C C   . PHE A 1 59  ? -17.904 -17.666 -32.023 1.00 11.55 ? 65  PHE B C   1 
ATOM   483  O O   . PHE A 1 59  ? -18.905 -18.331 -31.806 1.00 11.82 ? 65  PHE B O   1 
ATOM   484  C CB  . PHE A 1 59  ? -17.868 -15.930 -30.228 1.00 14.75 ? 65  PHE B CB  1 
ATOM   485  C CG  . PHE A 1 59  ? -17.859 -14.446 -29.860 1.00 15.56 ? 65  PHE B CG  1 
ATOM   486  C CD1 . PHE A 1 59  ? -16.850 -13.643 -30.364 1.00 18.16 ? 65  PHE B CD1 1 
ATOM   487  C CD2 . PHE A 1 59  ? -18.853 -13.838 -29.124 1.00 22.04 ? 65  PHE B CD2 1 
ATOM   488  C CE1 . PHE A 1 59  ? -16.780 -12.280 -30.115 1.00 20.53 ? 65  PHE B CE1 1 
ATOM   489  C CE2 . PHE A 1 59  ? -18.752 -12.473 -28.818 1.00 17.73 ? 65  PHE B CE2 1 
ATOM   490  C CZ  . PHE A 1 59  ? -17.768 -11.712 -29.375 1.00 19.52 ? 65  PHE B CZ  1 
ATOM   491  N N   A SER A 1 60  ? -16.775 -18.225 -32.478 0.25 11.96 ? 66  SER B N   1 
ATOM   492  N N   B SER A 1 60  ? -16.771 -18.210 -32.483 0.25 12.25 ? 66  SER B N   1 
ATOM   493  C CA  A SER A 1 60  ? -16.669 -19.673 -32.795 0.25 12.45 ? 66  SER B CA  1 
ATOM   494  C CA  B SER A 1 60  ? -16.603 -19.658 -32.775 0.25 12.90 ? 66  SER B CA  1 
ATOM   495  C C   A SER A 1 60  ? -15.447 -20.331 -32.121 0.25 12.19 ? 66  SER B C   1 
ATOM   496  C C   B SER A 1 60  ? -15.323 -20.210 -32.154 0.25 12.78 ? 66  SER B C   1 
ATOM   497  O O   A SER A 1 60  ? -15.302 -21.576 -32.257 0.25 12.44 ? 66  SER B O   1 
ATOM   498  O O   B SER A 1 60  ? -14.888 -21.290 -32.553 0.25 11.96 ? 66  SER B O   1 
ATOM   499  C CB  A SER A 1 60  ? -16.723 -19.905 -34.313 0.25 12.62 ? 66  SER B CB  1 
ATOM   500  C CB  B SER A 1 60  ? -16.579 -19.913 -34.254 0.25 13.35 ? 66  SER B CB  1 
ATOM   501  O OG  A SER A 1 60  ? -18.061 -19.708 -34.817 0.25 13.01 ? 66  SER B OG  1 
ATOM   502  O OG  B SER A 1 60  ? -15.566 -19.135 -34.836 0.25 14.89 ? 66  SER B OG  1 
ATOM   503  N N   A SER A 1 61  ? -14.650 -19.544 -31.382 0.25 11.73 ? 67  SER B N   1 
ATOM   504  N N   B SER A 1 61  ? -14.697 -19.464 -31.261 0.25 12.76 ? 67  SER B N   1 
ATOM   505  C CA  A SER A 1 61  ? -13.435 -19.976 -30.631 0.25 12.46 ? 67  SER B CA  1 
ATOM   506  C CA  B SER A 1 61  ? -13.420 -19.879 -30.647 0.25 14.02 ? 67  SER B CA  1 
ATOM   507  C C   A SER A 1 61  ? -13.143 -18.983 -29.498 0.25 13.24 ? 67  SER B C   1 
ATOM   508  C C   B SER A 1 61  ? -13.037 -18.887 -29.558 0.25 14.04 ? 67  SER B C   1 
ATOM   509  O O   A SER A 1 61  ? -13.752 -17.917 -29.472 0.25 13.71 ? 67  SER B O   1 
ATOM   510  O O   B SER A 1 61  ? -13.451 -17.716 -29.653 0.25 14.27 ? 67  SER B O   1 
ATOM   511  C CB  A SER A 1 61  ? -12.208 -20.068 -31.554 0.25 12.79 ? 67  SER B CB  1 
ATOM   512  C CB  B SER A 1 61  ? -12.336 -19.942 -31.709 0.25 15.02 ? 67  SER B CB  1 
ATOM   513  O OG  A SER A 1 61  ? -11.839 -18.789 -32.048 0.25 14.09 ? 67  SER B OG  1 
ATOM   514  O OG  B SER A 1 61  ? -11.193 -20.588 -31.196 0.25 18.21 ? 67  SER B OG  1 
ATOM   515  N N   . GLY A 1 62  ? -12.206 -19.323 -28.614 1.00 13.98 ? 68  GLY B N   1 
ATOM   516  C CA  . GLY A 1 62  ? -11.611 -18.356 -27.693 1.00 14.90 ? 68  GLY B CA  1 
ATOM   517  C C   . GLY A 1 62  ? -12.451 -18.066 -26.455 1.00 11.94 ? 68  GLY B C   1 
ATOM   518  O O   . GLY A 1 62  ? -13.470 -18.726 -26.207 1.00 13.53 ? 68  GLY B O   1 
ATOM   519  N N   . LYS A 1 63  ? -11.944 -17.080 -25.751 1.00 12.54 ? 69  LYS B N   1 
ATOM   520  C CA  . LYS A 1 63  ? -12.525 -16.592 -24.503 1.00 12.97 ? 69  LYS B CA  1 
ATOM   521  C C   . LYS A 1 63  ? -12.956 -15.164 -24.760 1.00 12.45 ? 69  LYS B C   1 
ATOM   522  O O   . LYS A 1 63  ? -12.179 -14.361 -25.245 1.00 13.83 ? 69  LYS B O   1 
ATOM   523  C CB  . LYS A 1 63  ? -11.490 -16.701 -23.394 1.00 13.70 ? 69  LYS B CB  1 
ATOM   524  C CG  . LYS A 1 63  ? -11.071 -18.119 -23.052 1.00 14.43 ? 69  LYS B CG  1 
ATOM   525  C CD  . LYS A 1 63  ? -9.955  -18.202 -21.959 1.00 17.43 ? 69  LYS B CD  1 
ATOM   526  C CE  . LYS A 1 63  ? -9.583  -19.620 -21.583 1.00 20.54 ? 69  LYS B CE  1 
ATOM   527  N NZ  . LYS A 1 63  ? -8.470  -19.635 -20.593 1.00 23.22 ? 69  LYS B NZ  1 
ATOM   528  N N   . MET A 1 64  ? -14.157 -14.813 -24.317 1.00 11.71 ? 70  MET B N   1 
ATOM   529  C CA  . MET A 1 64  ? -14.796 -13.499 -24.509 1.00 11.17 ? 70  MET B CA  1 
ATOM   530  C C   . MET A 1 64  ? -15.451 -13.046 -23.200 1.00 11.06 ? 70  MET B C   1 
ATOM   531  O O   . MET A 1 64  ? -16.035 -13.878 -22.505 1.00 12.08 ? 70  MET B O   1 
ATOM   532  C CB  . MET A 1 64  ? -15.899 -13.577 -25.551 1.00 11.67 ? 70  MET B CB  1 
ATOM   533  C CG  . MET A 1 64  ? -15.438 -13.792 -26.972 1.00 12.60 ? 70  MET B CG  1 
ATOM   534  S SD  . MET A 1 64  ? -14.731 -15.346 -27.501 1.00 14.58 ? 70  MET B SD  1 
ATOM   535  C CE  . MET A 1 64  ? -15.933 -16.564 -27.038 1.00 14.24 ? 70  MET B CE  1 
ATOM   536  N N   . TYR A 1 65  ? -15.430 -11.764 -22.932 1.00 11.32 ? 71  TYR B N   1 
ATOM   537  C CA  . TYR A 1 65  ? -16.025 -11.176 -21.706 1.00 11.50 ? 71  TYR B CA  1 
ATOM   538  C C   . TYR A 1 65  ? -16.661 -9.856  -22.093 1.00 12.10 ? 71  TYR B C   1 
ATOM   539  O O   . TYR A 1 65  ? -16.009 -9.040  -22.828 1.00 12.56 ? 71  TYR B O   1 
ATOM   540  C CB  . TYR A 1 65  ? -14.955 -10.982 -20.618 1.00 12.62 ? 71  TYR B CB  1 
ATOM   541  C CG  . TYR A 1 65  ? -15.468 -10.376 -19.337 1.00 11.99 ? 71  TYR B CG  1 
ATOM   542  C CD1 . TYR A 1 65  ? -16.231 -11.118 -18.453 1.00 12.60 ? 71  TYR B CD1 1 
ATOM   543  C CD2 . TYR A 1 65  ? -15.263 -9.029  -19.059 1.00 12.77 ? 71  TYR B CD2 1 
ATOM   544  C CE1 . TYR A 1 65  ? -16.767 -10.558 -17.288 1.00 12.81 ? 71  TYR B CE1 1 
ATOM   545  C CE2 . TYR A 1 65  ? -15.800 -8.463  -17.915 1.00 13.14 ? 71  TYR B CE2 1 
ATOM   546  C CZ  . TYR A 1 65  ? -16.520 -9.216  -17.022 1.00 12.73 ? 71  TYR B CZ  1 
ATOM   547  O OH  . TYR A 1 65  ? -17.056 -8.637  -15.908 1.00 14.12 ? 71  TYR B OH  1 
ATOM   548  N N   . TRP A 1 66  ? -17.859 -9.583  -21.591 1.00 10.81 ? 72  TRP B N   1 
ATOM   549  C CA  . TRP A 1 66  ? -18.458 -8.230  -21.699 1.00 11.43 ? 72  TRP B CA  1 
ATOM   550  C C   . TRP A 1 66  ? -19.354 -7.973  -20.493 1.00 11.22 ? 72  TRP B C   1 
ATOM   551  O O   . TRP A 1 66  ? -19.680 -8.878  -19.725 1.00 11.46 ? 72  TRP B O   1 
ATOM   552  C CB  . TRP A 1 66  ? -19.184 -8.028  -23.042 1.00 10.29 ? 72  TRP B CB  1 
ATOM   553  C CG  . TRP A 1 66  ? -20.337 -8.928  -23.304 1.00 10.30 ? 72  TRP B CG  1 
ATOM   554  C CD1 . TRP A 1 66  ? -21.661 -8.625  -23.128 1.00 10.22 ? 72  TRP B CD1 1 
ATOM   555  C CD2 . TRP A 1 66  ? -20.339 -10.248 -23.846 1.00 10.67 ? 72  TRP B CD2 1 
ATOM   556  N NE1 . TRP A 1 66  ? -22.459 -9.665  -23.507 1.00 10.65 ? 72  TRP B NE1 1 
ATOM   557  C CE2 . TRP A 1 66  ? -21.671 -10.701 -23.945 1.00 11.34 ? 72  TRP B CE2 1 
ATOM   558  C CE3 . TRP A 1 66  ? -19.325 -11.113 -24.281 1.00 12.30 ? 72  TRP B CE3 1 
ATOM   559  C CZ2 . TRP A 1 66  ? -22.016 -11.943 -24.456 1.00 11.16 ? 72  TRP B CZ2 1 
ATOM   560  C CZ3 . TRP A 1 66  ? -19.646 -12.353 -24.758 1.00 14.32 ? 72  TRP B CZ3 1 
ATOM   561  C CH2 . TRP A 1 66  ? -20.968 -12.771 -24.848 1.00 12.93 ? 72  TRP B CH2 1 
ATOM   562  N N   . GLU A 1 67  ? -19.729 -6.714  -20.335 1.00 11.16 ? 73  GLU B N   1 
ATOM   563  C CA  . GLU A 1 67  ? -20.591 -6.254  -19.217 1.00 10.50 ? 73  GLU B CA  1 
ATOM   564  C C   . GLU A 1 67  ? -21.806 -5.481  -19.714 1.00 10.56 ? 73  GLU B C   1 
ATOM   565  O O   . GLU A 1 67  ? -21.722 -4.776  -20.700 1.00 11.24 ? 73  GLU B O   1 
ATOM   566  C CB  . GLU A 1 67  ? -19.808 -5.403  -18.218 1.00 12.59 ? 73  GLU B CB  1 
ATOM   567  C CG  . GLU A 1 67  ? -18.730 -6.212  -17.512 1.00 14.81 ? 73  GLU B CG  1 
ATOM   568  C CD  . GLU A 1 67  ? -17.887 -5.467  -16.487 1.00 17.05 ? 73  GLU B CD  1 
ATOM   569  O OE1 . GLU A 1 67  ? -18.054 -4.214  -16.385 1.00 21.46 ? 73  GLU B OE1 1 
ATOM   570  O OE2 . GLU A 1 67  ? -17.025 -6.133  -15.794 1.00 15.85 ? 73  GLU B OE2 1 
ATOM   571  N N   . VAL A 1 68  ? -22.907 -5.688  -19.013 1.00 10.71 ? 74  VAL B N   1 
ATOM   572  C CA  . VAL A 1 68  ? -24.186 -5.045  -19.339 1.00 10.04 ? 74  VAL B CA  1 
ATOM   573  C C   . VAL A 1 68  ? -24.742 -4.365  -18.087 1.00 10.40 ? 74  VAL B C   1 
ATOM   574  O O   . VAL A 1 68  ? -24.879 -5.000  -17.024 1.00 11.89 ? 74  VAL B O   1 
ATOM   575  C CB  . VAL A 1 68  ? -25.203 -6.062  -19.881 1.00 10.17 ? 74  VAL B CB  1 
ATOM   576  C CG1 . VAL A 1 68  ? -26.433 -5.330  -20.365 1.00 11.39 ? 74  VAL B CG1 1 
ATOM   577  C CG2 . VAL A 1 68  ? -24.572 -6.932  -20.962 1.00 11.13 ? 74  VAL B CG2 1 
ATOM   578  N N   . ASP A 1 69  ? -25.207 -3.113  -18.255 1.00 10.97 ? 75  ASP B N   1 
ATOM   579  C CA  . ASP A 1 69  ? -25.874 -2.316  -17.208 1.00 12.08 ? 75  ASP B CA  1 
ATOM   580  C C   . ASP A 1 69  ? -27.351 -2.618  -17.264 1.00 10.48 ? 75  ASP B C   1 
ATOM   581  O O   . ASP A 1 69  ? -27.986 -2.477  -18.365 1.00 11.15 ? 75  ASP B O   1 
ATOM   582  C CB  . ASP A 1 69  ? -25.589 -0.815  -17.401 1.00 13.66 ? 75  ASP B CB  1 
ATOM   583  C CG  . ASP A 1 69  ? -25.950 0.009   -16.172 1.00 16.04 ? 75  ASP B CG  1 
ATOM   584  O OD1 . ASP A 1 69  ? -27.078 -0.012  -15.794 1.00 15.76 ? 75  ASP B OD1 1 
ATOM   585  O OD2 . ASP A 1 69  ? -25.055 0.438   -15.479 1.00 20.71 ? 75  ASP B OD2 1 
ATOM   586  N N   . VAL A 1 70  ? -27.925 -3.001  -16.119 1.00 10.98 ? 76  VAL B N   1 
ATOM   587  C CA  . VAL A 1 70  ? -29.369 -3.347  -15.960 1.00 11.38 ? 76  VAL B CA  1 
ATOM   588  C C   . VAL A 1 70  ? -30.060 -2.446  -14.915 1.00 11.80 ? 76  VAL B C   1 
ATOM   589  O O   . VAL A 1 70  ? -31.145 -2.803  -14.415 1.00 12.14 ? 76  VAL B O   1 
ATOM   590  C CB  . VAL A 1 70  ? -29.517 -4.849  -15.596 1.00 10.96 ? 76  VAL B CB  1 
ATOM   591  C CG1 . VAL A 1 70  ? -28.966 -5.799  -16.693 1.00 10.73 ? 76  VAL B CG1 1 
ATOM   592  C CG2 . VAL A 1 70  ? -28.915 -5.215  -14.261 1.00 11.21 ? 76  VAL B CG2 1 
ATOM   593  N N   . THR A 1 71  ? -29.431 -1.325  -14.589 1.00 11.96 ? 77  THR B N   1 
ATOM   594  C CA  . THR A 1 71  ? -29.917 -0.416  -13.523 1.00 14.04 ? 77  THR B CA  1 
ATOM   595  C C   . THR A 1 71  ? -31.412 -0.098  -13.705 1.00 14.15 ? 77  THR B C   1 
ATOM   596  O O   . THR A 1 71  ? -31.827 0.266   -14.782 1.00 14.75 ? 77  THR B O   1 
ATOM   597  C CB  . THR A 1 71  ? -29.119 0.889   -13.506 1.00 13.19 ? 77  THR B CB  1 
ATOM   598  O OG1 . THR A 1 71  ? -27.734 0.623   -13.270 1.00 16.03 ? 77  THR B OG1 1 
ATOM   599  C CG2 . THR A 1 71  ? -29.642 1.844   -12.449 1.00 15.03 ? 77  THR B CG2 1 
ATOM   600  N N   . GLN A 1 72  ? -32.175 -0.179  -12.611 0.50 16.06 ? 78  GLN B N   1 
ATOM   601  C CA  . GLN A 1 72  ? -33.626 0.162   -12.516 0.50 16.94 ? 78  GLN B CA  1 
ATOM   602  C C   . GLN A 1 72  ? -34.550 -0.931  -13.059 0.50 16.59 ? 78  GLN B C   1 
ATOM   603  O O   . GLN A 1 72  ? -35.750 -0.894  -12.715 0.50 16.29 ? 78  GLN B O   1 
ATOM   604  C CB  . GLN A 1 72  ? -34.017 1.391   -13.328 0.50 18.96 ? 78  GLN B CB  1 
ATOM   605  C CG  . GLN A 1 72  ? -33.196 2.632   -13.026 0.50 20.60 ? 78  GLN B CG  1 
ATOM   606  C CD  . GLN A 1 72  ? -33.010 3.432   -14.285 0.50 22.68 ? 78  GLN B CD  1 
ATOM   607  O OE1 . GLN A 1 72  ? -32.007 3.306   -14.987 0.50 21.89 ? 78  GLN B OE1 1 
ATOM   608  N NE2 . GLN A 1 72  ? -34.019 4.222   -14.610 0.50 23.16 ? 78  GLN B NE2 1 
ATOM   609  N N   . LYS A 1 73  ? -34.080 -1.798  -13.959 1.00 14.32 ? 79  LYS B N   1 
ATOM   610  C CA  . LYS A 1 73  ? -35.014 -2.660  -14.678 1.00 12.23 ? 79  LYS B CA  1 
ATOM   611  C C   . LYS A 1 73  ? -35.693 -3.671  -13.765 1.00 11.01 ? 79  LYS B C   1 
ATOM   612  O O   . LYS A 1 73  ? -35.040 -4.196  -12.818 1.00 12.47 ? 79  LYS B O   1 
ATOM   613  C CB  . LYS A 1 73  ? -34.288 -3.351  -15.818 1.00 12.18 ? 79  LYS B CB  1 
ATOM   614  C CG  . LYS A 1 73  ? -33.848 -2.352  -16.911 1.00 11.81 ? 79  LYS B CG  1 
ATOM   615  C CD  . LYS A 1 73  ? -33.344 -2.968  -18.201 1.00 12.62 ? 79  LYS B CD  1 
ATOM   616  C CE  . LYS A 1 73  ? -34.381 -3.741  -18.952 1.00 12.02 ? 79  LYS B CE  1 
ATOM   617  N NZ  . LYS A 1 73  ? -35.597 -2.924  -19.269 1.00 10.69 ? 79  LYS B NZ  1 
ATOM   618  N N   . GLU A 1 74  ? -36.928 -4.000  -14.097 1.00 10.61 ? 80  GLU B N   1 
ATOM   619  C CA  . GLU A 1 74  ? -37.721 -5.023  -13.389 1.00 10.75 ? 80  GLU B CA  1 
ATOM   620  C C   . GLU A 1 74  ? -37.689 -6.370  -14.098 1.00 10.59 ? 80  GLU B C   1 
ATOM   621  O O   . GLU A 1 74  ? -38.068 -7.371  -13.509 1.00 11.68 ? 80  GLU B O   1 
ATOM   622  C CB  . GLU A 1 74  ? -39.213 -4.596  -13.319 1.00 11.49 ? 80  GLU B CB  1 
ATOM   623  C CG  . GLU A 1 74  ? -39.497 -3.352  -12.514 1.00 12.62 ? 80  GLU B CG  1 
ATOM   624  C CD  . GLU A 1 74  ? -40.947 -2.882  -12.623 1.00 12.37 ? 80  GLU B CD  1 
ATOM   625  O OE1 . GLU A 1 74  ? -41.335 -2.031  -11.804 1.00 15.62 ? 80  GLU B OE1 1 
ATOM   626  O OE2 . GLU A 1 74  ? -41.702 -3.401  -13.444 1.00 13.82 ? 80  GLU B OE2 1 
ATOM   627  N N   . ALA A 1 75  ? -37.308 -6.411  -15.379 1.00 10.39 ? 81  ALA B N   1 
ATOM   628  C CA  . ALA A 1 75  ? -37.331 -7.667  -16.134 1.00 10.61 ? 81  ALA B CA  1 
ATOM   629  C C   . ALA A 1 75  ? -36.359 -7.544  -17.288 1.00 11.01 ? 81  ALA B C   1 
ATOM   630  O O   . ALA A 1 75  ? -36.267 -6.465  -17.953 1.00 11.00 ? 81  ALA B O   1 
ATOM   631  C CB  . ALA A 1 75  ? -38.683 -7.976  -16.680 1.00 11.49 ? 81  ALA B CB  1 
ATOM   632  N N   . TRP A 1 76  ? -35.619 -8.631  -17.581 1.00 9.68  ? 82  TRP B N   1 
ATOM   633  C CA  . TRP A 1 76  ? -34.635 -8.702  -18.700 1.00 9.31  ? 82  TRP B CA  1 
ATOM   634  C C   . TRP A 1 76  ? -34.134 -10.132 -18.786 1.00 9.91  ? 82  TRP B C   1 
ATOM   635  O O   . TRP A 1 76  ? -34.233 -10.897 -17.800 1.00 10.05 ? 82  TRP B O   1 
ATOM   636  C CB  . TRP A 1 76  ? -33.472 -7.751  -18.492 1.00 10.12 ? 82  TRP B CB  1 
ATOM   637  C CG  . TRP A 1 76  ? -32.800 -7.751  -17.153 1.00 10.06 ? 82  TRP B CG  1 
ATOM   638  C CD1 . TRP A 1 76  ? -32.998 -6.899  -16.113 1.00 10.87 ? 82  TRP B CD1 1 
ATOM   639  C CD2 . TRP A 1 76  ? -31.829 -8.699  -16.617 1.00 10.11 ? 82  TRP B CD2 1 
ATOM   640  N NE1 . TRP A 1 76  ? -32.232 -7.185  -15.030 1.00 10.36 ? 82  TRP B NE1 1 
ATOM   641  C CE2 . TRP A 1 76  ? -31.495 -8.316  -15.309 1.00 10.44 ? 82  TRP B CE2 1 
ATOM   642  C CE3 . TRP A 1 76  ? -31.199 -9.862  -17.148 1.00 11.61 ? 82  TRP B CE3 1 
ATOM   643  C CZ2 . TRP A 1 76  ? -30.580 -8.975  -14.514 1.00 10.93 ? 82  TRP B CZ2 1 
ATOM   644  C CZ3 . TRP A 1 76  ? -30.282 -10.531 -16.353 1.00 11.63 ? 82  TRP B CZ3 1 
ATOM   645  C CH2 . TRP A 1 76  ? -29.977 -10.074 -15.060 1.00 12.06 ? 82  TRP B CH2 1 
ATOM   646  N N   . ASP A 1 77  ? -33.594 -10.465 -19.948 1.00 9.36  ? 83  ASP B N   1 
ATOM   647  C CA  . ASP A 1 77  ? -32.830 -11.732 -20.171 1.00 9.50  ? 83  ASP B CA  1 
ATOM   648  C C   . ASP A 1 77  ? -31.472 -11.330 -20.739 1.00 9.69  ? 83  ASP B C   1 
ATOM   649  O O   . ASP A 1 77  ? -31.427 -10.437 -21.607 1.00 9.68  ? 83  ASP B O   1 
ATOM   650  C CB  . ASP A 1 77  ? -33.515 -12.687 -21.133 1.00 11.55 ? 83  ASP B CB  1 
ATOM   651  C CG  . ASP A 1 77  ? -35.014 -12.903 -21.008 1.00 12.51 ? 83  ASP B CG  1 
ATOM   652  O OD1 . ASP A 1 77  ? -35.461 -12.907 -19.873 1.00 16.56 ? 83  ASP B OD1 1 
ATOM   653  O OD2 . ASP A 1 77  ? -35.693 -13.095 -22.044 1.00 14.52 ? 83  ASP B OD2 1 
ATOM   654  N N   . LEU A 1 78  ? -30.411 -12.030 -20.366 1.00 8.53  ? 84  LEU B N   1 
ATOM   655  C CA  . LEU A 1 78  ? -29.049 -11.787 -20.896 1.00 9.23  ? 84  LEU B CA  1 
ATOM   656  C C   . LEU A 1 78  ? -28.323 -13.121 -21.084 1.00 8.62  ? 84  LEU B C   1 
ATOM   657  O O   . LEU A 1 78  ? -28.426 -14.007 -20.255 1.00 8.63  ? 84  LEU B O   1 
ATOM   658  C CB  . LEU A 1 78  ? -28.210 -10.919 -19.968 1.00 9.31  ? 84  LEU B CB  1 
ATOM   659  C CG  . LEU A 1 78  ? -28.597 -9.455  -19.815 1.00 10.45 ? 84  LEU B CG  1 
ATOM   660  C CD1 . LEU A 1 78  ? -27.776 -8.814  -18.709 1.00 11.34 ? 84  LEU B CD1 1 
ATOM   661  C CD2 . LEU A 1 78  ? -28.399 -8.738  -21.112 1.00 11.04 ? 84  LEU B CD2 1 
ATOM   662  N N   . GLY A 1 79  ? -27.487 -13.178 -22.109 1.00 7.97  ? 85  GLY B N   1 
ATOM   663  C CA  . GLY A 1 79  ? -26.521 -14.289 -22.224 1.00 8.66  ? 85  GLY B CA  1 
ATOM   664  C C   . GLY A 1 79  ? -25.998 -14.346 -23.650 1.00 8.21  ? 85  GLY B C   1 
ATOM   665  O O   . GLY A 1 79  ? -25.605 -13.326 -24.252 1.00 8.41  ? 85  GLY B O   1 
ATOM   666  N N   A VAL A 1 80  ? -25.926 -15.575 -24.162 0.25 8.03  ? 86  VAL B N   1 
ATOM   667  N N   B VAL A 1 80  ? -26.006 -15.549 -24.197 0.25 8.70  ? 86  VAL B N   1 
ATOM   668  C CA  A VAL A 1 80  ? -25.548 -15.873 -25.567 0.25 7.83  ? 86  VAL B CA  1 
ATOM   669  C CA  B VAL A 1 80  ? -25.422 -15.813 -25.531 0.25 8.97  ? 86  VAL B CA  1 
ATOM   670  C C   A VAL A 1 80  ? -26.556 -16.832 -26.171 0.25 8.19  ? 86  VAL B C   1 
ATOM   671  C C   B VAL A 1 80  ? -26.306 -16.900 -26.159 0.25 8.96  ? 86  VAL B C   1 
ATOM   672  O O   A VAL A 1 80  ? -27.320 -17.555 -25.470 0.25 8.16  ? 86  VAL B O   1 
ATOM   673  O O   B VAL A 1 80  ? -26.875 -17.704 -25.410 0.25 9.44  ? 86  VAL B O   1 
ATOM   674  C CB  A VAL A 1 80  ? -24.144 -16.481 -25.722 0.25 7.77  ? 86  VAL B CB  1 
ATOM   675  C CB  B VAL A 1 80  ? -23.928 -16.170 -25.366 0.25 9.98  ? 86  VAL B CB  1 
ATOM   676  C CG1 A VAL A 1 80  ? -23.110 -15.428 -25.396 0.25 7.38  ? 86  VAL B CG1 1 
ATOM   677  C CG1 B VAL A 1 80  ? -23.722 -17.537 -24.718 0.25 10.09 ? 86  VAL B CG1 1 
ATOM   678  C CG2 A VAL A 1 80  ? -23.954 -17.734 -24.871 0.25 7.98  ? 86  VAL B CG2 1 
ATOM   679  C CG2 B VAL A 1 80  ? -23.156 -16.037 -26.656 0.25 10.85 ? 86  VAL B CG2 1 
ATOM   680  N N   . CYS A 1 81  ? -26.492 -16.903 -27.491 1.00 8.76  ? 87  CYS B N   1 
ATOM   681  C CA  . CYS A 1 81  ? -27.300 -17.899 -28.174 1.00 9.46  ? 87  CYS B CA  1 
ATOM   682  C C   . CYS A 1 81  ? -26.635 -18.319 -29.477 1.00 9.04  ? 87  CYS B C   1 
ATOM   683  O O   . CYS A 1 81  ? -25.755 -17.593 -30.019 1.00 9.55  ? 87  CYS B O   1 
ATOM   684  C CB  . CYS A 1 81  ? -28.718 -17.374 -28.453 1.00 11.05 ? 87  CYS B CB  1 
ATOM   685  S SG  . CYS A 1 81  ? -28.809 -15.960 -29.587 1.00 10.79 ? 87  CYS B SG  1 
ATOM   686  N N   A ARG A 1 82  ? -27.074 -19.445 -30.001 0.25 10.06 ? 88  ARG B N   1 
ATOM   687  N N   B ARG A 1 82  ? -27.055 -19.463 -29.996 0.25 8.77  ? 88  ARG B N   1 
ATOM   688  C CA  A ARG A 1 82  ? -26.648 -19.848 -31.360 0.25 10.82 ? 88  ARG B CA  1 
ATOM   689  C CA  B ARG A 1 82  ? -26.606 -19.920 -31.340 0.25 8.64  ? 88  ARG B CA  1 
ATOM   690  C C   A ARG A 1 82  ? -27.071 -18.790 -32.380 0.25 9.96  ? 88  ARG B C   1 
ATOM   691  C C   B ARG A 1 82  ? -27.122 -18.946 -32.416 0.25 8.90  ? 88  ARG B C   1 
ATOM   692  O O   A ARG A 1 82  ? -28.113 -18.130 -32.248 0.25 9.60  ? 88  ARG B O   1 
ATOM   693  O O   B ARG A 1 82  ? -28.325 -18.526 -32.342 0.25 9.08  ? 88  ARG B O   1 
ATOM   694  C CB  A ARG A 1 82  ? -27.299 -21.173 -31.734 0.25 12.60 ? 88  ARG B CB  1 
ATOM   695  C CB  B ARG A 1 82  ? -27.148 -21.329 -31.611 0.25 8.53  ? 88  ARG B CB  1 
ATOM   696  C CG  A ARG A 1 82  ? -26.751 -22.323 -30.918 0.25 15.26 ? 88  ARG B CG  1 
ATOM   697  C CG  B ARG A 1 82  ? -26.415 -22.059 -32.727 0.25 8.35  ? 88  ARG B CG  1 
ATOM   698  C CD  A ARG A 1 82  ? -27.350 -23.642 -31.355 0.25 17.46 ? 88  ARG B CD  1 
ATOM   699  C CD  B ARG A 1 82  ? -26.979 -23.431 -33.023 0.25 8.65  ? 88  ARG B CD  1 
ATOM   700  N NE  A ARG A 1 82  ? -27.038 -24.695 -30.399 0.25 18.15 ? 88  ARG B NE  1 
ATOM   701  N NE  B ARG A 1 82  ? -26.856 -24.262 -31.858 0.25 8.48  ? 88  ARG B NE  1 
ATOM   702  C CZ  A ARG A 1 82  ? -27.873 -25.660 -30.064 0.25 19.21 ? 88  ARG B CZ  1 
ATOM   703  C CZ  B ARG A 1 82  ? -27.852 -24.837 -31.196 0.25 8.47  ? 88  ARG B CZ  1 
ATOM   704  N NH1 A ARG A 1 82  ? -29.082 -25.705 -30.593 0.25 19.46 ? 88  ARG B NH1 1 
ATOM   705  N NH1 B ARG A 1 82  ? -29.078 -24.808 -31.653 0.25 9.35  ? 88  ARG B NH1 1 
ATOM   706  N NH2 A ARG A 1 82  ? -27.492 -26.577 -29.201 0.25 21.36 ? 88  ARG B NH2 1 
ATOM   707  N NH2 B ARG A 1 82  ? -27.572 -25.466 -30.061 0.25 8.34  ? 88  ARG B NH2 1 
ATOM   708  N N   . ASP A 1 83  ? -26.280 -18.659 -33.429 1.00 10.32 ? 89  ASP B N   1 
ATOM   709  C CA  . ASP A 1 83  ? -26.675 -17.740 -34.515 1.00 11.53 ? 89  ASP B CA  1 
ATOM   710  C C   . ASP A 1 83  ? -27.975 -18.226 -35.137 1.00 12.30 ? 89  ASP B C   1 
ATOM   711  O O   . ASP A 1 83  ? -28.739 -17.336 -35.656 1.00 16.78 ? 89  ASP B O   1 
ATOM   712  C CB  . ASP A 1 83  ? -25.564 -17.656 -35.556 1.00 12.52 ? 89  ASP B CB  1 
ATOM   713  C CG  . ASP A 1 83  ? -25.193 -18.919 -36.279 1.00 13.72 ? 89  ASP B CG  1 
ATOM   714  O OD1 . ASP A 1 83  ? -25.648 -20.006 -35.912 1.00 15.82 ? 89  ASP B OD1 1 
ATOM   715  O OD2 . ASP A 1 83  ? -24.417 -18.769 -37.267 1.00 16.35 ? 89  ASP B OD2 1 
ATOM   716  N N   . SER A 1 84  ? -28.328 -19.496 -35.126 1.00 11.20 ? 90  SER B N   1 
ATOM   717  C CA  . SER A 1 84  ? -29.495 -20.032 -35.834 1.00 13.18 ? 90  SER B CA  1 
ATOM   718  C C   . SER A 1 84  ? -30.731 -20.228 -34.948 1.00 12.36 ? 90  SER B C   1 
ATOM   719  O O   . SER A 1 84  ? -31.642 -20.941 -35.362 1.00 13.92 ? 90  SER B O   1 
ATOM   720  C CB  . SER A 1 84  ? -29.129 -21.280 -36.525 1.00 14.59 ? 90  SER B CB  1 
ATOM   721  O OG  . SER A 1 84  ? -28.646 -22.195 -35.647 1.00 14.76 ? 90  SER B OG  1 
ATOM   722  N N   . VAL A 1 85  ? -30.798 -19.599 -33.777 1.00 11.32 ? 91  VAL B N   1 
ATOM   723  C CA  . VAL A 1 85  ? -32.020 -19.739 -32.954 1.00 11.24 ? 91  VAL B CA  1 
ATOM   724  C C   . VAL A 1 85  ? -33.246 -19.241 -33.752 1.00 11.86 ? 91  VAL B C   1 
ATOM   725  O O   . VAL A 1 85  ? -33.175 -18.281 -34.559 1.00 12.33 ? 91  VAL B O   1 
ATOM   726  C CB  . VAL A 1 85  ? -31.921 -18.988 -31.612 1.00 10.96 ? 91  VAL B CB  1 
ATOM   727  C CG1 . VAL A 1 85  ? -30.894 -19.650 -30.709 1.00 10.85 ? 91  VAL B CG1 1 
ATOM   728  C CG2 . VAL A 1 85  ? -31.702 -17.506 -31.760 1.00 10.62 ? 91  VAL B CG2 1 
ATOM   729  N N   . GLN A 1 86  ? -34.358 -19.881 -33.452 1.00 12.75 ? 92  GLN B N   1 
ATOM   730  C CA  . GLN A 1 86  ? -35.705 -19.441 -33.919 1.00 14.09 ? 92  GLN B CA  1 
ATOM   731  C C   . GLN A 1 86  ? -35.940 -17.957 -33.602 1.00 13.29 ? 92  GLN B C   1 
ATOM   732  O O   . GLN A 1 86  ? -35.689 -17.527 -32.512 1.00 14.08 ? 92  GLN B O   1 
ATOM   733  C CB  . GLN A 1 86  ? -36.717 -20.354 -33.217 1.00 17.70 ? 92  GLN B CB  1 
ATOM   734  C CG  . GLN A 1 86  ? -38.205 -20.020 -33.376 1.00 21.64 ? 92  GLN B CG  1 
ATOM   735  C CD  . GLN A 1 86  ? -39.124 -20.858 -32.486 1.00 22.71 ? 92  GLN B CD  1 
ATOM   736  O OE1 . GLN A 1 86  ? -38.722 -21.848 -31.837 1.00 25.07 ? 92  GLN B OE1 1 
ATOM   737  N NE2 . GLN A 1 86  ? -40.404 -20.491 -32.406 1.00 25.45 ? 92  GLN B NE2 1 
ATOM   738  N N   . ARG A 1 87  ? -36.504 -17.245 -34.567 1.00 12.44 ? 93  ARG B N   1 
ATOM   739  C CA  . ARG A 1 87  ? -36.803 -15.793 -34.428 1.00 12.78 ? 93  ARG B CA  1 
ATOM   740  C C   . ARG A 1 87  ? -38.311 -15.559 -34.267 1.00 13.32 ? 93  ARG B C   1 
ATOM   741  O O   . ARG A 1 87  ? -38.686 -14.533 -33.646 1.00 13.45 ? 93  ARG B O   1 
ATOM   742  C CB  . ARG A 1 87  ? -36.288 -14.967 -35.584 1.00 13.81 ? 93  ARG B CB  1 
ATOM   743  C CG  . ARG A 1 87  ? -34.812 -15.170 -35.902 1.00 13.11 ? 93  ARG B CG  1 
ATOM   744  C CD  . ARG A 1 87  ? -33.895 -14.904 -34.686 1.00 13.01 ? 93  ARG B CD  1 
ATOM   745  N NE  . ARG A 1 87  ? -32.518 -15.380 -34.998 1.00 14.81 ? 93  ARG B NE  1 
ATOM   746  C CZ  . ARG A 1 87  ? -31.624 -14.655 -35.632 1.00 14.27 ? 93  ARG B CZ  1 
ATOM   747  N NH1 . ARG A 1 87  ? -31.904 -13.429 -36.039 1.00 15.74 ? 93  ARG B NH1 1 
ATOM   748  N NH2 . ARG A 1 87  ? -30.455 -15.175 -35.971 1.00 15.94 ? 93  ARG B NH2 1 
ATOM   749  N N   . LYS A 1 88  ? -39.155 -16.405 -34.861 1.00 12.99 ? 94  LYS B N   1 
ATOM   750  C CA  . LYS A 1 88  ? -40.618 -16.108 -34.978 1.00 13.29 ? 94  LYS B CA  1 
ATOM   751  C C   . LYS A 1 88  ? -41.422 -16.991 -34.049 1.00 14.69 ? 94  LYS B C   1 
ATOM   752  O O   . LYS A 1 88  ? -41.025 -18.189 -33.905 1.00 16.81 ? 94  LYS B O   1 
ATOM   753  C CB  . LYS A 1 88  ? -41.070 -16.335 -36.422 1.00 14.66 ? 94  LYS B CB  1 
ATOM   754  C CG  . LYS A 1 88  ? -40.263 -15.606 -37.467 1.00 16.40 ? 94  LYS B CG  1 
ATOM   755  C CD  . LYS A 1 88  ? -40.214 -14.089 -37.236 1.00 15.92 ? 94  LYS B CD  1 
ATOM   756  C CE  . LYS A 1 88  ? -39.422 -13.447 -38.335 1.00 16.20 ? 94  LYS B CE  1 
ATOM   757  N NZ  . LYS A 1 88  ? -39.285 -11.964 -38.175 1.00 16.99 ? 94  LYS B NZ  1 
ATOM   758  N N   . GLY A 1 89  ? -42.482 -16.485 -33.451 1.00 15.07 ? 95  GLY B N   1 
ATOM   759  C CA  . GLY A 1 89  ? -43.356 -17.311 -32.638 1.00 15.59 ? 95  GLY B CA  1 
ATOM   760  C C   . GLY A 1 89  ? -42.878 -17.438 -31.219 1.00 16.98 ? 95  GLY B C   1 
ATOM   761  O O   . GLY A 1 89  ? -41.891 -16.726 -30.784 1.00 15.98 ? 95  GLY B O   1 
ATOM   762  N N   . GLN A 1 90  ? -43.535 -18.318 -30.473 0.50 17.23 ? 96  GLN B N   1 
ATOM   763  C CA  . GLN A 1 90  ? -43.268 -18.550 -29.036 0.50 18.83 ? 96  GLN B CA  1 
ATOM   764  C C   . GLN A 1 90  ? -42.155 -19.587 -28.879 0.50 17.62 ? 96  GLN B C   1 
ATOM   765  O O   . GLN A 1 90  ? -42.086 -20.522 -29.686 0.50 18.25 ? 96  GLN B O   1 
ATOM   766  C CB  . GLN A 1 90  ? -44.535 -19.035 -28.328 0.50 21.08 ? 96  GLN B CB  1 
ATOM   767  C CG  . GLN A 1 90  ? -45.641 -17.997 -28.295 0.50 24.07 ? 96  GLN B CG  1 
ATOM   768  C CD  . GLN A 1 90  ? -46.454 -18.056 -27.024 0.50 26.09 ? 96  GLN B CD  1 
ATOM   769  O OE1 . GLN A 1 90  ? -46.547 -17.084 -26.271 0.50 29.99 ? 96  GLN B OE1 1 
ATOM   770  N NE2 . GLN A 1 90  ? -47.056 -19.208 -26.776 0.50 28.02 ? 96  GLN B NE2 1 
ATOM   771  N N   . PHE A 1 91  ? -41.297 -19.409 -27.875 1.00 15.61 ? 97  PHE B N   1 
ATOM   772  C CA  . PHE A 1 91  ? -40.262 -20.405 -27.539 1.00 15.41 ? 97  PHE B CA  1 
ATOM   773  C C   . PHE A 1 91  ? -39.755 -20.125 -26.141 1.00 14.46 ? 97  PHE B C   1 
ATOM   774  O O   . PHE A 1 91  ? -39.888 -19.027 -25.609 1.00 16.34 ? 97  PHE B O   1 
ATOM   775  C CB  . PHE A 1 91  ? -39.084 -20.384 -28.521 1.00 14.27 ? 97  PHE B CB  1 
ATOM   776  C CG  . PHE A 1 91  ? -38.456 -19.022 -28.684 1.00 13.27 ? 97  PHE B CG  1 
ATOM   777  C CD1 . PHE A 1 91  ? -37.446 -18.603 -27.817 1.00 14.29 ? 97  PHE B CD1 1 
ATOM   778  C CD2 . PHE A 1 91  ? -38.831 -18.178 -29.713 1.00 14.21 ? 97  PHE B CD2 1 
ATOM   779  C CE1 . PHE A 1 91  ? -36.832 -17.365 -27.982 1.00 13.07 ? 97  PHE B CE1 1 
ATOM   780  C CE2 . PHE A 1 91  ? -38.230 -16.929 -29.878 1.00 14.00 ? 97  PHE B CE2 1 
ATOM   781  C CZ  . PHE A 1 91  ? -37.247 -16.542 -29.008 1.00 13.41 ? 97  PHE B CZ  1 
ATOM   782  N N   A SER A 1 92  ? -39.194 -21.142 -25.498 0.25 14.95 ? 98  SER B N   1 
ATOM   783  N N   B SER A 1 92  ? -39.160 -21.168 -25.568 0.25 14.32 ? 98  SER B N   1 
ATOM   784  C CA  A SER A 1 92  ? -38.547 -20.977 -24.173 0.25 15.39 ? 98  SER B CA  1 
ATOM   785  C CA  B SER A 1 92  ? -38.491 -21.150 -24.246 0.25 14.55 ? 98  SER B CA  1 
ATOM   786  C C   A SER A 1 92  ? -37.036 -20.843 -24.357 0.25 13.78 ? 98  SER B C   1 
ATOM   787  C C   B SER A 1 92  ? -37.006 -20.808 -24.424 0.25 13.28 ? 98  SER B C   1 
ATOM   788  O O   A SER A 1 92  ? -36.457 -21.444 -25.275 0.25 13.59 ? 98  SER B O   1 
ATOM   789  O O   B SER A 1 92  ? -36.410 -21.182 -25.475 0.25 13.23 ? 98  SER B O   1 
ATOM   790  C CB  A SER A 1 92  ? -38.843 -22.107 -23.251 0.25 17.90 ? 98  SER B CB  1 
ATOM   791  C CB  B SER A 1 92  ? -38.657 -22.472 -23.544 0.25 15.90 ? 98  SER B CB  1 
ATOM   792  O OG  A SER A 1 92  ? -38.608 -23.324 -23.931 0.25 21.24 ? 98  SER B OG  1 
ATOM   793  O OG  B SER A 1 92  ? -40.018 -22.669 -23.167 0.25 17.79 ? 98  SER B OG  1 
ATOM   794  N N   . LEU A 1 93  ? -36.430 -20.102 -23.450 1.00 12.57 ? 99  LEU B N   1 
ATOM   795  C CA  . LEU A 1 93  ? -34.968 -19.927 -23.409 1.00 13.04 ? 99  LEU B CA  1 
ATOM   796  C C   . LEU A 1 93  ? -34.358 -21.112 -22.708 1.00 12.92 ? 99  LEU B C   1 
ATOM   797  O O   . LEU A 1 93  ? -34.475 -21.273 -21.490 1.00 15.11 ? 99  LEU B O   1 
ATOM   798  C CB  . LEU A 1 93  ? -34.590 -18.653 -22.667 1.00 13.48 ? 99  LEU B CB  1 
ATOM   799  C CG  . LEU A 1 93  ? -35.117 -17.358 -23.261 1.00 15.30 ? 99  LEU B CG  1 
ATOM   800  C CD1 . LEU A 1 93  ? -34.721 -16.140 -22.422 1.00 15.25 ? 99  LEU B CD1 1 
ATOM   801  C CD2 . LEU A 1 93  ? -34.602 -17.155 -24.661 1.00 16.07 ? 99  LEU B CD2 1 
ATOM   802  N N   . SER A 1 94  ? -33.699 -22.004 -23.454 1.00 11.96 ? 100 SER B N   1 
ATOM   803  C CA  . SER A 1 94  ? -33.114 -23.238 -22.909 1.00 12.07 ? 100 SER B CA  1 
ATOM   804  C C   . SER A 1 94  ? -31.905 -23.608 -23.750 1.00 10.83 ? 100 SER B C   1 
ATOM   805  O O   . SER A 1 94  ? -31.890 -23.278 -24.943 1.00 10.64 ? 100 SER B O   1 
ATOM   806  C CB  . SER A 1 94  ? -34.089 -24.390 -22.876 1.00 13.02 ? 100 SER B CB  1 
ATOM   807  O OG  . SER A 1 94  ? -34.438 -24.740 -24.201 1.00 16.20 ? 100 SER B OG  1 
ATOM   808  N N   . PRO A 1 95  ? -30.959 -24.368 -23.223 1.00 10.96 ? 101 PRO B N   1 
ATOM   809  C CA  . PRO A 1 95  ? -29.879 -24.886 -24.067 1.00 11.91 ? 101 PRO B CA  1 
ATOM   810  C C   . PRO A 1 95  ? -30.396 -25.759 -25.206 1.00 11.61 ? 101 PRO B C   1 
ATOM   811  O O   . PRO A 1 95  ? -29.852 -25.658 -26.335 1.00 12.15 ? 101 PRO B O   1 
ATOM   812  C CB  . PRO A 1 95  ? -28.981 -25.664 -23.097 1.00 12.44 ? 101 PRO B CB  1 
ATOM   813  C CG  . PRO A 1 95  ? -29.214 -24.926 -21.767 1.00 14.11 ? 101 PRO B CG  1 
ATOM   814  C CD  . PRO A 1 95  ? -30.694 -24.607 -21.795 1.00 12.74 ? 101 PRO B CD  1 
ATOM   815  N N   . GLU A 1 96  ? -31.470 -26.499 -25.007 1.00 12.38 ? 102 GLU B N   1 
ATOM   816  C CA  . GLU A 1 96  ? -32.024 -27.344 -26.092 1.00 14.69 ? 102 GLU B CA  1 
ATOM   817  C C   . GLU A 1 96  ? -32.430 -26.454 -27.263 1.00 13.99 ? 102 GLU B C   1 
ATOM   818  O O   . GLU A 1 96  ? -32.422 -26.887 -28.436 1.00 15.59 ? 102 GLU B O   1 
ATOM   819  C CB  . GLU A 1 96  ? -33.210 -28.152 -25.570 1.00 18.96 ? 102 GLU B CB  1 
ATOM   820  C CG  . GLU A 1 96  ? -32.854 -28.937 -24.331 1.00 27.55 ? 102 GLU B CG  1 
ATOM   821  C CD  . GLU A 1 96  ? -33.242 -28.283 -23.010 1.00 31.89 ? 102 GLU B CD  1 
ATOM   822  O OE1 . GLU A 1 96  ? -32.365 -27.605 -22.351 1.00 21.13 ? 102 GLU B OE1 1 
ATOM   823  O OE2 . GLU A 1 96  ? -34.413 -28.539 -22.597 1.00 44.16 ? 102 GLU B OE2 1 
ATOM   824  N N   . ASN A 1 97  ? -32.898 -25.231 -27.006 1.00 12.50 ? 103 ASN B N   1 
ATOM   825  C CA  . ASN A 1 97  ? -33.307 -24.290 -28.070 1.00 12.56 ? 103 ASN B CA  1 
ATOM   826  C C   . ASN A 1 97  ? -32.161 -23.371 -28.483 1.00 11.28 ? 103 ASN B C   1 
ATOM   827  O O   . ASN A 1 97  ? -32.359 -22.499 -29.349 1.00 12.04 ? 103 ASN B O   1 
ATOM   828  C CB  . ASN A 1 97  ? -34.509 -23.444 -27.630 1.00 13.35 ? 103 ASN B CB  1 
ATOM   829  C CG  . ASN A 1 97  ? -35.808 -24.197 -27.622 1.00 16.07 ? 103 ASN B CG  1 
ATOM   830  O OD1 . ASN A 1 97  ? -35.918 -25.281 -28.232 1.00 18.96 ? 103 ASN B OD1 1 
ATOM   831  N ND2 . ASN A 1 97  ? -36.757 -23.721 -26.835 1.00 16.34 ? 103 ASN B ND2 1 
ATOM   832  N N   . GLY A 1 98  ? -30.946 -23.558 -27.977 1.00 10.43 ? 104 GLY B N   1 
ATOM   833  C CA  . GLY A 1 98  ? -29.794 -22.764 -28.389 1.00 9.94  ? 104 GLY B CA  1 
ATOM   834  C C   . GLY A 1 98  ? -29.519 -21.481 -27.621 1.00 8.52  ? 104 GLY B C   1 
ATOM   835  O O   . GLY A 1 98  ? -28.871 -20.608 -28.117 1.00 9.45  ? 104 GLY B O   1 
ATOM   836  N N   . PHE A 1 99  ? -29.966 -21.434 -26.340 1.00 9.45  ? 105 PHE B N   1 
ATOM   837  C CA  . PHE A 1 99  ? -29.775 -20.252 -25.450 1.00 9.20  ? 105 PHE B CA  1 
ATOM   838  C C   . PHE A 1 99  ? -29.055 -20.601 -24.155 1.00 8.22  ? 105 PHE B C   1 
ATOM   839  O O   . PHE A 1 99  ? -29.501 -21.587 -23.540 1.00 9.94  ? 105 PHE B O   1 
ATOM   840  C CB  . PHE A 1 99  ? -31.115 -19.601 -25.100 1.00 9.21  ? 105 PHE B CB  1 
ATOM   841  C CG  . PHE A 1 99  ? -31.911 -19.086 -26.286 1.00 9.41  ? 105 PHE B CG  1 
ATOM   842  C CD1 . PHE A 1 99  ? -32.829 -19.907 -26.935 1.00 10.46 ? 105 PHE B CD1 1 
ATOM   843  C CD2 . PHE A 1 99  ? -31.794 -17.779 -26.726 1.00 10.06 ? 105 PHE B CD2 1 
ATOM   844  C CE1 . PHE A 1 99  ? -33.566 -19.446 -28.023 1.00 11.17 ? 105 PHE B CE1 1 
ATOM   845  C CE2 . PHE A 1 99  ? -32.533 -17.331 -27.810 1.00 10.42 ? 105 PHE B CE2 1 
ATOM   846  C CZ  . PHE A 1 99  ? -33.423 -18.149 -28.426 1.00 10.53 ? 105 PHE B CZ  1 
ATOM   847  N N   . TRP A 1 100 ? -28.128 -19.775 -23.742 1.00 7.66  ? 106 TRP B N   1 
ATOM   848  C CA  . TRP A 1 100 ? -27.452 -19.870 -22.427 1.00 8.69  ? 106 TRP B CA  1 
ATOM   849  C C   . TRP A 1 100 ? -27.604 -18.497 -21.776 1.00 7.39  ? 106 TRP B C   1 
ATOM   850  O O   . TRP A 1 100 ? -26.864 -17.569 -22.072 1.00 8.47  ? 106 TRP B O   1 
ATOM   851  C CB  . TRP A 1 100 ? -26.001 -20.321 -22.597 1.00 8.78  ? 106 TRP B CB  1 
ATOM   852  C CG  . TRP A 1 100 ? -25.898 -21.690 -23.186 1.00 9.09  ? 106 TRP B CG  1 
ATOM   853  C CD1 . TRP A 1 100 ? -25.801 -22.883 -22.540 1.00 10.01 ? 106 TRP B CD1 1 
ATOM   854  C CD2 . TRP A 1 100 ? -25.931 -22.011 -24.601 1.00 9.50  ? 106 TRP B CD2 1 
ATOM   855  N NE1 . TRP A 1 100 ? -25.831 -23.938 -23.437 1.00 9.97  ? 106 TRP B NE1 1 
ATOM   856  C CE2 . TRP A 1 100 ? -25.897 -23.418 -24.702 1.00 10.24 ? 106 TRP B CE2 1 
ATOM   857  C CE3 . TRP A 1 100 ? -26.015 -21.262 -25.769 1.00 9.77  ? 106 TRP B CE3 1 
ATOM   858  C CZ2 . TRP A 1 100 ? -25.962 -24.065 -25.957 1.00 11.38 ? 106 TRP B CZ2 1 
ATOM   859  C CZ3 . TRP A 1 100 ? -26.034 -21.916 -27.001 1.00 11.72 ? 106 TRP B CZ3 1 
ATOM   860  C CH2 . TRP A 1 100 ? -26.075 -23.280 -27.072 1.00 11.69 ? 106 TRP B CH2 1 
ATOM   861  N N   . THR A 1 101 ? -28.587 -18.411 -20.870 1.00 8.53  ? 107 THR B N   1 
ATOM   862  C CA  . THR A 1 101 ? -29.111 -17.111 -20.391 1.00 8.50  ? 107 THR B CA  1 
ATOM   863  C C   . THR A 1 101 ? -29.438 -17.162 -18.891 1.00 8.81  ? 107 THR B C   1 
ATOM   864  O O   . THR A 1 101 ? -29.709 -18.232 -18.345 1.00 8.79  ? 107 THR B O   1 
ATOM   865  C CB  . THR A 1 101 ? -30.374 -16.672 -21.147 1.00 9.14  ? 107 THR B CB  1 
ATOM   866  O OG1 . THR A 1 101 ? -31.432 -17.579 -20.934 1.00 9.69  ? 107 THR B OG1 1 
ATOM   867  C CG2 . THR A 1 101 ? -30.100 -16.457 -22.628 1.00 8.88  ? 107 THR B CG2 1 
ATOM   868  N N   . ILE A 1 102 ? -29.487 -15.986 -18.295 1.00 8.61  ? 108 ILE B N   1 
ATOM   869  C CA  . ILE A 1 102 ? -30.132 -15.753 -16.963 1.00 8.49  ? 108 ILE B CA  1 
ATOM   870  C C   . ILE A 1 102 ? -31.163 -14.650 -17.175 1.00 8.52  ? 108 ILE B C   1 
ATOM   871  O O   . ILE A 1 102 ? -31.075 -13.867 -18.145 1.00 9.12  ? 108 ILE B O   1 
ATOM   872  C CB  . ILE A 1 102 ? -29.114 -15.421 -15.866 1.00 9.41  ? 108 ILE B CB  1 
ATOM   873  C CG1 . ILE A 1 102 ? -28.409 -14.074 -16.065 1.00 10.15 ? 108 ILE B CG1 1 
ATOM   874  C CG2 . ILE A 1 102 ? -28.089 -16.564 -15.736 1.00 9.61  ? 108 ILE B CG2 1 
ATOM   875  C CD1 . ILE A 1 102 ? -27.599 -13.598 -14.844 1.00 11.32 ? 108 ILE B CD1 1 
ATOM   876  N N   . TRP A 1 103 ? -32.007 -14.476 -16.173 1.00 8.67  ? 109 TRP B N   1 
ATOM   877  C CA  . TRP A 1 103 ? -33.030 -13.429 -16.237 1.00 9.49  ? 109 TRP B CA  1 
ATOM   878  C C   . TRP A 1 103 ? -33.422 -12.937 -14.867 1.00 10.00 ? 109 TRP B C   1 
ATOM   879  O O   . TRP A 1 103 ? -33.257 -13.629 -13.844 1.00 10.35 ? 109 TRP B O   1 
ATOM   880  C CB  . TRP A 1 103 ? -34.203 -13.833 -17.061 1.00 11.91 ? 109 TRP B CB  1 
ATOM   881  C CG  . TRP A 1 103 ? -34.983 -14.976 -16.549 1.00 13.68 ? 109 TRP B CG  1 
ATOM   882  C CD1 . TRP A 1 103 ? -35.903 -14.988 -15.531 1.00 14.25 ? 109 TRP B CD1 1 
ATOM   883  C CD2 . TRP A 1 103 ? -35.074 -16.245 -17.197 1.00 13.75 ? 109 TRP B CD2 1 
ATOM   884  N NE1 . TRP A 1 103 ? -36.532 -16.196 -15.500 1.00 16.95 ? 109 TRP B NE1 1 
ATOM   885  C CE2 . TRP A 1 103 ? -36.056 -16.987 -16.503 1.00 15.12 ? 109 TRP B CE2 1 
ATOM   886  C CE3 . TRP A 1 103 ? -34.451 -16.808 -18.312 1.00 15.20 ? 109 TRP B CE3 1 
ATOM   887  C CZ2 . TRP A 1 103 ? -36.410 -18.286 -16.871 1.00 18.46 ? 109 TRP B CZ2 1 
ATOM   888  C CZ3 . TRP A 1 103 ? -34.813 -18.079 -18.670 1.00 16.96 ? 109 TRP B CZ3 1 
ATOM   889  C CH2 . TRP A 1 103 ? -35.757 -18.796 -17.964 1.00 16.57 ? 109 TRP B CH2 1 
ATOM   890  N N   . LEU A 1 104 ? -34.049 -11.746 -14.877 1.00 9.53  ? 110 LEU B N   1 
ATOM   891  C CA  . LEU A 1 104 ? -34.845 -11.212 -13.743 1.00 9.33  ? 110 LEU B CA  1 
ATOM   892  C C   . LEU A 1 104 ? -36.287 -11.178 -14.168 1.00 9.29  ? 110 LEU B C   1 
ATOM   893  O O   . LEU A 1 104 ? -36.610 -10.691 -15.245 1.00 10.03 ? 110 LEU B O   1 
ATOM   894  C CB  . LEU A 1 104 ? -34.384 -9.805  -13.445 1.00 10.14 ? 110 LEU B CB  1 
ATOM   895  C CG  . LEU A 1 104 ? -35.211 -9.035  -12.411 1.00 10.68 ? 110 LEU B CG  1 
ATOM   896  C CD1 . LEU A 1 104 ? -35.233 -9.705  -11.038 1.00 11.14 ? 110 LEU B CD1 1 
ATOM   897  C CD2 . LEU A 1 104 ? -34.729 -7.601  -12.309 1.00 12.24 ? 110 LEU B CD2 1 
ATOM   898  N N   . TRP A 1 105 ? -37.175 -11.659 -13.280 1.00 10.71 ? 111 TRP B N   1 
ATOM   899  C CA  . TRP A 1 105 ? -38.635 -11.640 -13.534 1.00 12.44 ? 111 TRP B CA  1 
ATOM   900  C C   . TRP A 1 105 ? -39.354 -11.698 -12.197 1.00 14.38 ? 111 TRP B C   1 
ATOM   901  O O   . TRP A 1 105 ? -39.043 -12.590 -11.379 1.00 14.16 ? 111 TRP B O   1 
ATOM   902  C CB  . TRP A 1 105 ? -39.038 -12.848 -14.379 1.00 15.62 ? 111 TRP B CB  1 
ATOM   903  C CG  . TRP A 1 105 ? -40.499 -13.049 -14.519 1.00 18.46 ? 111 TRP B CG  1 
ATOM   904  C CD1 . TRP A 1 105 ? -41.294 -14.028 -13.986 1.00 20.78 ? 111 TRP B CD1 1 
ATOM   905  C CD2 . TRP A 1 105 ? -41.328 -12.247 -15.346 1.00 18.33 ? 111 TRP B CD2 1 
ATOM   906  N NE1 . TRP A 1 105 ? -42.564 -13.848 -14.412 1.00 21.81 ? 111 TRP B NE1 1 
ATOM   907  C CE2 . TRP A 1 105 ? -42.634 -12.757 -15.225 1.00 19.05 ? 111 TRP B CE2 1 
ATOM   908  C CE3 . TRP A 1 105 ? -41.112 -11.123 -16.136 1.00 18.17 ? 111 TRP B CE3 1 
ATOM   909  C CZ2 . TRP A 1 105 ? -43.717 -12.223 -15.907 1.00 23.01 ? 111 TRP B CZ2 1 
ATOM   910  C CZ3 . TRP A 1 105 ? -42.197 -10.544 -16.759 1.00 22.26 ? 111 TRP B CZ3 1 
ATOM   911  C CH2 . TRP A 1 105 ? -43.480 -11.083 -16.648 1.00 24.27 ? 111 TRP B CH2 1 
ATOM   912  N N   . GLN A 1 106 ? -40.227 -10.700 -11.919 1.00 13.39 ? 112 GLN B N   1 
ATOM   913  C CA  . GLN A 1 106 ? -41.088 -10.718 -10.691 1.00 14.73 ? 112 GLN B CA  1 
ATOM   914  C C   . GLN A 1 106 ? -40.191 -10.917 -9.512  1.00 15.00 ? 112 GLN B C   1 
ATOM   915  O O   . GLN A 1 106 ? -40.561 -11.777 -8.604  1.00 16.80 ? 112 GLN B O   1 
ATOM   916  C CB  . GLN A 1 106 ? -42.196 -11.756 -10.849 1.00 15.56 ? 112 GLN B CB  1 
ATOM   917  C CG  . GLN A 1 106 ? -43.125 -11.404 -11.997 1.00 17.12 ? 112 GLN B CG  1 
ATOM   918  C CD  . GLN A 1 106 ? -44.403 -12.212 -12.101 1.00 18.59 ? 112 GLN B CD  1 
ATOM   919  O OE1 . GLN A 1 106 ? -45.358 -11.826 -12.789 1.00 21.31 ? 112 GLN B OE1 1 
ATOM   920  N NE2 . GLN A 1 106 ? -44.464 -13.356 -11.440 1.00 17.88 ? 112 GLN B NE2 1 
ATOM   921  N N   . ASP A 1 107 ? -39.175 -10.111 -9.372  1.00 15.50 ? 113 ASP B N   1 
ATOM   922  C CA  . ASP A 1 107 ? -38.391 -10.024 -8.165  1.00 18.01 ? 113 ASP B CA  1 
ATOM   923  C C   . ASP A 1 107 ? -37.620 -11.320 -7.863  1.00 19.78 ? 113 ASP B C   1 
ATOM   924  O O   . ASP A 1 107 ? -37.198 -11.499 -6.718  1.00 26.56 ? 113 ASP B O   1 
ATOM   925  C CB  . ASP A 1 107 ? -39.396 -9.735  -7.047  1.00 21.57 ? 113 ASP B CB  1 
ATOM   926  C CG  . ASP A 1 107 ? -38.731 -9.195  -5.842  1.00 27.18 ? 113 ASP B CG  1 
ATOM   927  O OD1 . ASP A 1 107 ? -37.812 -8.366  -6.002  1.00 29.46 ? 113 ASP B OD1 1 
ATOM   928  O OD2 . ASP A 1 107 ? -39.210 -9.568  -4.731  1.00 32.68 ? 113 ASP B OD2 1 
ATOM   929  N N   . SER A 1 108 ? -37.379 -12.177 -8.839  1.00 15.23 ? 114 SER B N   1 
ATOM   930  C CA  . SER A 1 108 ? -36.503 -13.375 -8.687  1.00 15.65 ? 114 SER B CA  1 
ATOM   931  C C   . SER A 1 108 ? -35.573 -13.452 -9.895  1.00 12.81 ? 114 SER B C   1 
ATOM   932  O O   . SER A 1 108 ? -35.950 -13.121 -11.057 1.00 12.78 ? 114 SER B O   1 
ATOM   933  C CB  . SER A 1 108 ? -37.341 -14.602 -8.430  1.00 18.89 ? 114 SER B CB  1 
ATOM   934  O OG  . SER A 1 108 ? -37.968 -15.094 -9.576  1.00 29.99 ? 114 SER B OG  1 
ATOM   935  N N   . TYR A 1 109 ? -34.394 -13.950 -9.649  1.00 11.86 ? 115 TYR B N   1 
ATOM   936  C CA  . TYR A 1 109 ? -33.361 -14.235 -10.689 1.00 11.00 ? 115 TYR B CA  1 
ATOM   937  C C   . TYR A 1 109 ? -33.326 -15.723 -10.951 1.00 11.00 ? 115 TYR B C   1 
ATOM   938  O O   . TYR A 1 109 ? -33.325 -16.533 -9.987  1.00 11.80 ? 115 TYR B O   1 
ATOM   939  C CB  . TYR A 1 109 ? -32.026 -13.713 -10.220 1.00 11.04 ? 115 TYR B CB  1 
ATOM   940  C CG  . TYR A 1 109 ? -31.956 -12.200 -10.003 1.00 11.89 ? 115 TYR B CG  1 
ATOM   941  C CD1 . TYR A 1 109 ? -32.229 -11.639 -8.756  1.00 12.30 ? 115 TYR B CD1 1 
ATOM   942  C CD2 . TYR A 1 109 ? -31.584 -11.346 -11.030 1.00 11.07 ? 115 TYR B CD2 1 
ATOM   943  C CE1 . TYR A 1 109 ? -32.138 -10.270 -8.537  1.00 13.31 ? 115 TYR B CE1 1 
ATOM   944  C CE2 . TYR A 1 109 ? -31.524 -9.971  -10.835 1.00 11.86 ? 115 TYR B CE2 1 
ATOM   945  C CZ  . TYR A 1 109 ? -31.783 -9.444  -9.577  1.00 12.16 ? 115 TYR B CZ  1 
ATOM   946  O OH  . TYR A 1 109 ? -31.768 -8.067  -9.339  1.00 13.56 ? 115 TYR B OH  1 
ATOM   947  N N   . GLU A 1 110 ? -33.315 -16.115 -12.226 0.50 11.02 ? 116 GLU B N   1 
ATOM   948  C CA  . GLU A 1 110 ? -33.318 -17.533 -12.660 0.50 11.44 ? 116 GLU B CA  1 
ATOM   949  C C   . GLU A 1 110 ? -32.251 -17.744 -13.743 0.50 9.77  ? 116 GLU B C   1 
ATOM   950  O O   . GLU A 1 110 ? -31.939 -16.802 -14.516 0.50 9.47  ? 116 GLU B O   1 
ATOM   951  C CB  . GLU A 1 110 ? -34.687 -17.934 -13.197 0.50 13.33 ? 116 GLU B CB  1 
ATOM   952  C CG  . GLU A 1 110 ? -35.819 -17.817 -12.172 0.50 16.53 ? 116 GLU B CG  1 
ATOM   953  C CD  . GLU A 1 110 ? -35.963 -18.971 -11.184 0.50 17.86 ? 116 GLU B CD  1 
ATOM   954  O OE1 . GLU A 1 110 ? -35.520 -20.104 -11.496 0.50 22.93 ? 116 GLU B OE1 1 
ATOM   955  O OE2 . GLU A 1 110 ? -36.557 -18.748 -10.114 0.50 24.71 ? 116 GLU B OE2 1 
ATOM   956  N N   . ALA A 1 111 ? -31.697 -18.963 -13.805 1.00 9.51  ? 117 ALA B N   1 
ATOM   957  C CA  . ALA A 1 111 ? -30.952 -19.425 -14.993 1.00 9.38  ? 117 ALA B CA  1 
ATOM   958  C C   . ALA A 1 111 ? -31.892 -20.156 -15.919 1.00 9.44  ? 117 ALA B C   1 
ATOM   959  O O   . ALA A 1 111 ? -32.730 -20.973 -15.497 1.00 10.24 ? 117 ALA B O   1 
ATOM   960  C CB  . ALA A 1 111 ? -29.770 -20.313 -14.622 1.00 9.57  ? 117 ALA B CB  1 
ATOM   961  N N   . GLY A 1 112 ? -31.695 -19.925 -17.238 1.00 9.91  ? 118 GLY B N   1 
ATOM   962  C CA  . GLY A 1 112 ? -32.502 -20.504 -18.310 1.00 11.14 ? 118 GLY B CA  1 
ATOM   963  C C   . GLY A 1 112 ? -32.103 -21.921 -18.623 1.00 11.16 ? 118 GLY B C   1 
ATOM   964  O O   . GLY A 1 112 ? -31.860 -22.298 -19.760 1.00 13.24 ? 118 GLY B O   1 
ATOM   965  N N   . THR A 1 113 ? -32.056 -22.802 -17.635 1.00 12.72 ? 119 THR B N   1 
ATOM   966  C CA  . THR A 1 113 ? -32.073 -24.263 -17.806 1.00 13.91 ? 119 THR B CA  1 
ATOM   967  C C   . THR A 1 113 ? -33.497 -24.734 -18.066 1.00 14.72 ? 119 THR B C   1 
ATOM   968  O O   . THR A 1 113 ? -34.419 -23.961 -17.906 1.00 16.39 ? 119 THR B O   1 
ATOM   969  C CB  . THR A 1 113 ? -31.465 -24.881 -16.578 1.00 12.00 ? 119 THR B CB  1 
ATOM   970  O OG1 . THR A 1 113 ? -32.185 -24.427 -15.405 1.00 12.19 ? 119 THR B OG1 1 
ATOM   971  C CG2 . THR A 1 113 ? -30.041 -24.503 -16.384 1.00 13.58 ? 119 THR B CG2 1 
ATOM   972  N N   . SER A 1 114 ? -33.676 -26.016 -18.393 1.00 18.43 ? 120 SER B N   1 
ATOM   973  C CA  . SER A 1 114 ? -35.040 -26.561 -18.547 1.00 20.22 ? 120 SER B CA  1 
ATOM   974  C C   . SER A 1 114 ? -35.226 -27.761 -17.615 1.00 21.68 ? 120 SER B C   1 
ATOM   975  O O   . SER A 1 114 ? -34.590 -28.807 -17.761 1.00 22.75 ? 120 SER B O   1 
ATOM   976  C CB  . SER A 1 114 ? -35.373 -26.871 -20.003 1.00 25.61 ? 120 SER B CB  1 
ATOM   977  O OG  . SER A 1 114 ? -36.733 -27.323 -20.116 1.00 29.87 ? 120 SER B OG  1 
ATOM   978  N N   . PRO A 1 115 ? -35.997 -27.610 -16.525 1.00 19.36 ? 121 PRO B N   1 
ATOM   979  C CA  . PRO A 1 115 ? -36.648 -26.387 -16.132 1.00 20.19 ? 121 PRO B CA  1 
ATOM   980  C C   . PRO A 1 115 ? -35.667 -25.376 -15.505 1.00 15.22 ? 121 PRO B C   1 
ATOM   981  O O   . PRO A 1 115 ? -34.531 -25.663 -15.204 1.00 14.49 ? 121 PRO B O   1 
ATOM   982  C CB  . PRO A 1 115 ? -37.686 -26.845 -15.109 1.00 23.40 ? 121 PRO B CB  1 
ATOM   983  C CG  . PRO A 1 115 ? -37.004 -27.982 -14.423 1.00 22.73 ? 121 PRO B CG  1 
ATOM   984  C CD  . PRO A 1 115 ? -36.185 -28.666 -15.505 1.00 22.19 ? 121 PRO B CD  1 
ATOM   985  N N   . GLN A 1 116 ? -36.134 -24.158 -15.327 1.00 14.86 ? 122 GLN B N   1 
ATOM   986  C CA  . GLN A 1 116 ? -35.291 -23.039 -14.857 1.00 14.19 ? 122 GLN B CA  1 
ATOM   987  C C   . GLN A 1 116 ? -34.745 -23.297 -13.437 1.00 12.18 ? 122 GLN B C   1 
ATOM   988  O O   . GLN A 1 116 ? -35.404 -24.037 -12.653 1.00 14.28 ? 122 GLN B O   1 
ATOM   989  C CB  . GLN A 1 116 ? -36.015 -21.698 -14.932 1.00 17.98 ? 122 GLN B CB  1 
ATOM   990  C CG  . GLN A 1 116 ? -37.100 -21.557 -13.898 1.00 24.21 ? 122 GLN B CG  1 
ATOM   991  C CD  . GLN A 1 116 ? -38.419 -21.532 -14.613 1.00 33.91 ? 122 GLN B CD  1 
ATOM   992  O OE1 . GLN A 1 116 ? -38.896 -22.548 -15.132 1.00 42.96 ? 122 GLN B OE1 1 
ATOM   993  N NE2 . GLN A 1 116 ? -38.947 -20.331 -14.716 1.00 39.13 ? 122 GLN B NE2 1 
ATOM   994  N N   . THR A 1 117 ? -33.636 -22.675 -13.123 1.00 10.52 ? 123 THR B N   1 
ATOM   995  C CA  . THR A 1 117 ? -32.923 -22.854 -11.846 1.00 10.83 ? 123 THR B CA  1 
ATOM   996  C C   . THR A 1 117 ? -32.917 -21.542 -11.084 1.00 10.94 ? 123 THR B C   1 
ATOM   997  O O   . THR A 1 117 ? -32.451 -20.518 -11.596 1.00 11.92 ? 123 THR B O   1 
ATOM   998  C CB  . THR A 1 117 ? -31.482 -23.342 -12.104 1.00 10.33 ? 123 THR B CB  1 
ATOM   999  O OG1 . THR A 1 117 ? -31.528 -24.575 -12.809 1.00 11.88 ? 123 THR B OG1 1 
ATOM   1000 C CG2 . THR A 1 117 ? -30.740 -23.528 -10.796 1.00 11.90 ? 123 THR B CG2 1 
ATOM   1001 N N   . THR A 1 118 ? -33.326 -21.585 -9.821  1.00 11.99 ? 124 THR B N   1 
ATOM   1002 C CA  . THR A 1 118 ? -33.286 -20.439 -8.905  1.00 13.15 ? 124 THR B CA  1 
ATOM   1003 C C   . THR A 1 118 ? -31.874 -19.962 -8.641  1.00 11.78 ? 124 THR B C   1 
ATOM   1004 O O   . THR A 1 118 ? -30.982 -20.824 -8.374  1.00 14.11 ? 124 THR B O   1 
ATOM   1005 C CB  . THR A 1 118 ? -33.905 -20.874 -7.558  1.00 16.12 ? 124 THR B CB  1 
ATOM   1006 O OG1 . THR A 1 118 ? -35.272 -21.221 -7.808  1.00 18.98 ? 124 THR B OG1 1 
ATOM   1007 C CG2 . THR A 1 118 ? -33.677 -19.837 -6.479  1.00 18.23 ? 124 THR B CG2 1 
ATOM   1008 N N   . LEU A 1 119 ? -31.606 -18.670 -8.770  1.00 10.76 ? 125 LEU B N   1 
ATOM   1009 C CA  . LEU A 1 119 ? -30.330 -18.068 -8.466  1.00 10.35 ? 125 LEU B CA  1 
ATOM   1010 C C   . LEU A 1 119 ? -30.412 -17.463 -7.055  1.00 11.98 ? 125 LEU B C   1 
ATOM   1011 O O   . LEU A 1 119 ? -31.558 -17.191 -6.563  1.00 16.93 ? 125 LEU B O   1 
ATOM   1012 C CB  . LEU A 1 119 ? -29.909 -17.009 -9.497  1.00 10.65 ? 125 LEU B CB  1 
ATOM   1013 C CG  . LEU A 1 119 ? -29.831 -17.544 -10.945 1.00 9.83  ? 125 LEU B CG  1 
ATOM   1014 C CD1 . LEU A 1 119 ? -29.611 -16.425 -11.949 1.00 11.42 ? 125 LEU B CD1 1 
ATOM   1015 C CD2 . LEU A 1 119 ? -28.742 -18.620 -11.071 1.00 10.72 ? 125 LEU B CD2 1 
ATOM   1016 N N   . HIS A 1 120 ? -29.308 -17.368 -6.375  1.00 11.64 ? 126 HIS B N   1 
ATOM   1017 C CA  . HIS A 1 120 ? -29.190 -16.886 -4.961  1.00 12.20 ? 126 HIS B CA  1 
ATOM   1018 C C   . HIS A 1 120 ? -28.375 -15.613 -5.014  1.00 13.68 ? 126 HIS B C   1 
ATOM   1019 O O   . HIS A 1 120 ? -27.141 -15.625 -5.050  1.00 18.30 ? 126 HIS B O   1 
ATOM   1020 C CB  . HIS A 1 120 ? -28.531 -17.968 -4.064  1.00 13.58 ? 126 HIS B CB  1 
ATOM   1021 C CG  . HIS A 1 120 ? -29.276 -19.251 -4.045  1.00 12.90 ? 126 HIS B CG  1 
ATOM   1022 N ND1 . HIS A 1 120 ? -28.905 -20.329 -4.857  1.00 14.77 ? 126 HIS B ND1 1 
ATOM   1023 C CD2 . HIS A 1 120 ? -30.349 -19.667 -3.357  1.00 14.61 ? 126 HIS B CD2 1 
ATOM   1024 C CE1 . HIS A 1 120 ? -29.746 -21.308 -4.638  1.00 15.71 ? 126 HIS B CE1 1 
ATOM   1025 N NE2 . HIS A 1 120 ? -30.629 -20.973 -3.705  1.00 14.69 ? 126 HIS B NE2 1 
ATOM   1026 N N   . ILE A 1 121 ? -29.066 -14.491 -5.127  1.00 16.24 ? 127 ILE B N   1 
ATOM   1027 C CA  . ILE A 1 121 ? -28.404 -13.165 -5.259  1.00 18.09 ? 127 ILE B CA  1 
ATOM   1028 C C   . ILE A 1 121 ? -28.828 -12.331 -4.020  1.00 18.89 ? 127 ILE B C   1 
ATOM   1029 O O   . ILE A 1 121 ? -30.039 -12.059 -3.818  1.00 24.90 ? 127 ILE B O   1 
ATOM   1030 C CB  . ILE A 1 121 ? -28.773 -12.503 -6.603  1.00 18.33 ? 127 ILE B CB  1 
ATOM   1031 C CG1 . ILE A 1 121 ? -28.200 -13.322 -7.787  1.00 17.92 ? 127 ILE B CG1 1 
ATOM   1032 C CG2 . ILE A 1 121 ? -28.387 -11.023 -6.553  1.00 21.70 ? 127 ILE B CG2 1 
ATOM   1033 C CD1 . ILE A 1 121 ? -28.377 -12.736 -9.161  1.00 18.76 ? 127 ILE B CD1 1 
ATOM   1034 N N   . GLN A 1 122 ? -27.855 -11.961 -3.195  0.50 21.58 ? 128 GLN B N   1 
ATOM   1035 C CA  . GLN A 1 122 ? -28.090 -11.128 -1.983  0.50 22.29 ? 128 GLN B CA  1 
ATOM   1036 C C   . GLN A 1 122 ? -27.991 -9.637  -2.332  0.50 21.08 ? 128 GLN B C   1 
ATOM   1037 O O   . GLN A 1 122 ? -28.660 -8.828  -1.649  0.50 21.27 ? 128 GLN B O   1 
ATOM   1038 C CB  . GLN A 1 122 ? -27.102 -11.516 -0.884  0.50 25.07 ? 128 GLN B CB  1 
ATOM   1039 C CG  . GLN A 1 122 ? -27.618 -12.650 -0.014  0.50 27.00 ? 128 GLN B CG  1 
ATOM   1040 C CD  . GLN A 1 122 ? -28.961 -12.294 0.579   0.50 30.37 ? 128 GLN B CD  1 
ATOM   1041 O OE1 . GLN A 1 122 ? -30.014 -12.653 0.053   0.50 31.26 ? 128 GLN B OE1 1 
ATOM   1042 N NE2 . GLN A 1 122 ? -28.934 -11.548 1.672   0.50 32.92 ? 128 GLN B NE2 1 
ATOM   1043 N N   . VAL A 1 123 ? -27.186 -9.278  -3.335  1.00 19.00 ? 129 VAL B N   1 
ATOM   1044 C CA  . VAL A 1 123 ? -26.999 -7.855  -3.761  1.00 17.36 ? 129 VAL B CA  1 
ATOM   1045 C C   . VAL A 1 123 ? -27.561 -7.681  -5.166  1.00 16.69 ? 129 VAL B C   1 
ATOM   1046 O O   . VAL A 1 123 ? -26.934 -8.182  -6.119  1.00 15.07 ? 129 VAL B O   1 
ATOM   1047 C CB  . VAL A 1 123 ? -25.523 -7.456  -3.710  1.00 18.64 ? 129 VAL B CB  1 
ATOM   1048 C CG1 . VAL A 1 123 ? -25.316 -6.024  -4.193  1.00 19.73 ? 129 VAL B CG1 1 
ATOM   1049 C CG2 . VAL A 1 123 ? -24.963 -7.613  -2.299  1.00 21.11 ? 129 VAL B CG2 1 
ATOM   1050 N N   . PRO A 1 124 ? -28.778 -7.144  -5.364  1.00 15.23 ? 130 PRO B N   1 
ATOM   1051 C CA  . PRO A 1 124 ? -29.321 -7.015  -6.720  1.00 15.36 ? 130 PRO B CA  1 
ATOM   1052 C C   . PRO A 1 124 ? -28.326 -6.341  -7.623  1.00 14.83 ? 130 PRO B C   1 
ATOM   1053 O O   . PRO A 1 124 ? -27.812 -5.271  -7.366  1.00 15.41 ? 130 PRO B O   1 
ATOM   1054 C CB  . PRO A 1 124 ? -30.553 -6.116  -6.531  1.00 17.84 ? 130 PRO B CB  1 
ATOM   1055 C CG  . PRO A 1 124 ? -31.002 -6.505  -5.102  1.00 19.15 ? 130 PRO B CG  1 
ATOM   1056 C CD  . PRO A 1 124 ? -29.735 -6.654  -4.329  1.00 18.40 ? 130 PRO B CD  1 
ATOM   1057 N N   . PRO A 1 125 ? -27.949 -6.979  -8.749  1.00 13.17 ? 131 PRO B N   1 
ATOM   1058 C CA  . PRO A 1 125 ? -26.945 -6.392  -9.619  1.00 12.83 ? 131 PRO B CA  1 
ATOM   1059 C C   . PRO A 1 125 ? -27.455 -5.182  -10.403 1.00 13.49 ? 131 PRO B C   1 
ATOM   1060 O O   . PRO A 1 125 ? -28.554 -5.223  -10.914 1.00 13.45 ? 131 PRO B O   1 
ATOM   1061 C CB  . PRO A 1 125 ? -26.533 -7.549  -10.542 1.00 14.02 ? 131 PRO B CB  1 
ATOM   1062 C CG  . PRO A 1 125 ? -27.653 -8.528  -10.473 1.00 15.83 ? 131 PRO B CG  1 
ATOM   1063 C CD  . PRO A 1 125 ? -28.299 -8.366  -9.117  1.00 14.76 ? 131 PRO B CD  1 
ATOM   1064 N N   . CYS A 1 126 ? -26.568 -4.216  -10.531 1.00 12.67 ? 132 CYS B N   1 
ATOM   1065 C CA  . CYS A 1 126 ? -26.783 -3.117  -11.491 1.00 13.03 ? 132 CYS B CA  1 
ATOM   1066 C C   . CYS A 1 126 ? -25.978 -3.336  -12.782 1.00 12.53 ? 132 CYS B C   1 
ATOM   1067 O O   . CYS A 1 126 ? -26.275 -2.731  -13.806 1.00 11.88 ? 132 CYS B O   1 
ATOM   1068 C CB  . CYS A 1 126 ? -26.389 -1.785  -10.891 1.00 15.98 ? 132 CYS B CB  1 
ATOM   1069 S SG  . CYS A 1 126 ? -27.331 -1.312  -9.412  1.00 22.22 ? 132 CYS B SG  1 
ATOM   1070 N N   A GLN A 1 127 ? -24.898 -4.122  -12.733 0.25 12.58 ? 133 GLN B N   1 
ATOM   1071 N N   B GLN A 1 127 ? -25.003 -4.238  -12.702 0.25 13.23 ? 133 GLN B N   1 
ATOM   1072 C CA  A GLN A 1 127 ? -24.176 -4.560  -13.959 0.25 12.80 ? 133 GLN B CA  1 
ATOM   1073 C CA  B GLN A 1 127 ? -24.104 -4.586  -13.824 0.25 14.07 ? 133 GLN B CA  1 
ATOM   1074 C C   A GLN A 1 127 ? -23.779 -6.033  -13.821 0.25 12.05 ? 133 GLN B C   1 
ATOM   1075 C C   B GLN A 1 127 ? -23.879 -6.103  -13.777 0.25 12.80 ? 133 GLN B C   1 
ATOM   1076 O O   A GLN A 1 127 ? -23.348 -6.454  -12.722 0.25 10.35 ? 133 GLN B O   1 
ATOM   1077 O O   B GLN A 1 127 ? -23.783 -6.670  -12.677 0.25 11.18 ? 133 GLN B O   1 
ATOM   1078 C CB  A GLN A 1 127 ? -22.905 -3.759  -14.276 0.25 14.16 ? 133 GLN B CB  1 
ATOM   1079 C CB  B GLN A 1 127 ? -22.814 -3.768  -13.732 0.25 16.76 ? 133 GLN B CB  1 
ATOM   1080 C CG  A GLN A 1 127 ? -23.093 -2.260  -14.469 0.25 15.43 ? 133 GLN B CG  1 
ATOM   1081 C CG  B GLN A 1 127 ? -23.019 -2.266  -13.859 0.25 18.79 ? 133 GLN B CG  1 
ATOM   1082 C CD  A GLN A 1 127 ? -22.988 -1.507  -13.164 0.25 16.74 ? 133 GLN B CD  1 
ATOM   1083 C CD  B GLN A 1 127 ? -21.829 -1.539  -14.437 0.25 21.27 ? 133 GLN B CD  1 
ATOM   1084 O OE1 A GLN A 1 127 ? -22.238 -1.886  -12.265 0.25 16.68 ? 133 GLN B OE1 1 
ATOM   1085 O OE1 B GLN A 1 127 ? -20.708 -2.049  -14.473 0.25 24.99 ? 133 GLN B OE1 1 
ATOM   1086 N NE2 A GLN A 1 127 ? -23.757 -0.433  -13.037 0.25 17.30 ? 133 GLN B NE2 1 
ATOM   1087 N NE2 B GLN A 1 127 ? -22.074 -0.332  -14.901 0.25 24.05 ? 133 GLN B NE2 1 
ATOM   1088 N N   . ILE A 1 128 ? -23.924 -6.737  -14.949 1.00 11.72 ? 134 ILE B N   1 
ATOM   1089 C CA  . ILE A 1 128 ? -23.727 -8.208  -15.092 1.00 11.47 ? 134 ILE B CA  1 
ATOM   1090 C C   . ILE A 1 128 ? -22.511 -8.385  -15.993 1.00 11.29 ? 134 ILE B C   1 
ATOM   1091 O O   . ILE A 1 128 ? -22.441 -7.770  -17.105 1.00 10.97 ? 134 ILE B O   1 
ATOM   1092 C CB  . ILE A 1 128 ? -24.973 -8.830  -15.723 1.00 11.87 ? 134 ILE B CB  1 
ATOM   1093 C CG1 . ILE A 1 128 ? -26.263 -8.652  -14.906 1.00 14.32 ? 134 ILE B CG1 1 
ATOM   1094 C CG2 . ILE A 1 128 ? -24.707 -10.312 -16.058 1.00 12.41 ? 134 ILE B CG2 1 
ATOM   1095 C CD1 . ILE A 1 128 ? -26.284 -9.447  -13.644 1.00 14.22 ? 134 ILE B CD1 1 
ATOM   1096 N N   . GLY A 1 129 ? -21.562 -9.245  -15.612 1.00 10.68 ? 135 GLY B N   1 
ATOM   1097 C CA  . GLY A 1 129 ? -20.471 -9.687  -16.481 1.00 10.33 ? 135 GLY B CA  1 
ATOM   1098 C C   . GLY A 1 129 ? -20.785 -11.055 -17.048 1.00 9.90  ? 135 GLY B C   1 
ATOM   1099 O O   . GLY A 1 129 ? -21.324 -11.917 -16.378 1.00 11.14 ? 135 GLY B O   1 
ATOM   1100 N N   . ILE A 1 130 ? -20.476 -11.222 -18.338 1.00 10.72 ? 136 ILE B N   1 
ATOM   1101 C CA  . ILE A 1 130 ? -20.739 -12.484 -19.087 1.00 10.42 ? 136 ILE B CA  1 
ATOM   1102 C C   . ILE A 1 130 ? -19.413 -12.954 -19.667 1.00 10.54 ? 136 ILE B C   1 
ATOM   1103 O O   . ILE A 1 130 ? -18.733 -12.202 -20.386 1.00 10.93 ? 136 ILE B O   1 
ATOM   1104 C CB  . ILE A 1 130 ? -21.791 -12.266 -20.186 1.00 11.24 ? 136 ILE B CB  1 
ATOM   1105 C CG1 . ILE A 1 130 ? -23.075 -11.695 -19.584 1.00 11.97 ? 136 ILE B CG1 1 
ATOM   1106 C CG2 . ILE A 1 130 ? -22.037 -13.555 -20.985 1.00 12.38 ? 136 ILE B CG2 1 
ATOM   1107 C CD1 . ILE A 1 130 ? -24.130 -11.346 -20.557 1.00 14.81 ? 136 ILE B CD1 1 
ATOM   1108 N N   . PHE A 1 131 ? -19.052 -14.175 -19.321 1.00 9.99  ? 137 PHE B N   1 
ATOM   1109 C CA  . PHE A 1 131 ? -17.809 -14.834 -19.806 1.00 10.05 ? 137 PHE B CA  1 
ATOM   1110 C C   . PHE A 1 131 ? -18.194 -16.067 -20.591 1.00 9.83  ? 137 PHE B C   1 
ATOM   1111 O O   . PHE A 1 131 ? -18.962 -16.905 -20.110 1.00 10.16 ? 137 PHE B O   1 
ATOM   1112 C CB  . PHE A 1 131 ? -16.953 -15.235 -18.610 1.00 11.30 ? 137 PHE B CB  1 
ATOM   1113 C CG  . PHE A 1 131 ? -15.697 -15.977 -18.982 1.00 12.11 ? 137 PHE B CG  1 
ATOM   1114 C CD1 . PHE A 1 131 ? -14.671 -15.360 -19.638 1.00 13.78 ? 137 PHE B CD1 1 
ATOM   1115 C CD2 . PHE A 1 131 ? -15.537 -17.307 -18.644 1.00 14.22 ? 137 PHE B CD2 1 
ATOM   1116 C CE1 . PHE A 1 131 ? -13.535 -16.085 -19.993 1.00 15.69 ? 137 PHE B CE1 1 
ATOM   1117 C CE2 . PHE A 1 131 ? -14.398 -18.035 -19.004 1.00 16.33 ? 137 PHE B CE2 1 
ATOM   1118 C CZ  . PHE A 1 131 ? -13.394 -17.385 -19.649 1.00 14.75 ? 137 PHE B CZ  1 
ATOM   1119 N N   . VAL A 1 132 ? -17.605 -16.223 -21.789 1.00 10.09 ? 138 VAL B N   1 
ATOM   1120 C CA  . VAL A 1 132 ? -17.757 -17.409 -22.652 1.00 10.59 ? 138 VAL B CA  1 
ATOM   1121 C C   . VAL A 1 132 ? -16.381 -17.977 -22.948 1.00 9.46  ? 138 VAL B C   1 
ATOM   1122 O O   . VAL A 1 132 ? -15.492 -17.263 -23.418 1.00 11.30 ? 138 VAL B O   1 
ATOM   1123 C CB  . VAL A 1 132 ? -18.504 -17.063 -23.944 1.00 10.91 ? 138 VAL B CB  1 
ATOM   1124 C CG1 . VAL A 1 132 ? -18.651 -18.297 -24.824 1.00 12.87 ? 138 VAL B CG1 1 
ATOM   1125 C CG2 . VAL A 1 132 ? -19.856 -16.418 -23.671 1.00 12.64 ? 138 VAL B CG2 1 
ATOM   1126 N N   . ASP A 1 133 ? -16.252 -19.254 -22.668 1.00 9.57  ? 139 ASP B N   1 
ATOM   1127 C CA  . ASP A 1 133 ? -15.054 -20.040 -23.101 1.00 11.49 ? 139 ASP B CA  1 
ATOM   1128 C C   . ASP A 1 133 ? -15.559 -21.062 -24.096 1.00 10.29 ? 139 ASP B C   1 
ATOM   1129 O O   . ASP A 1 133 ? -16.174 -22.054 -23.754 1.00 10.72 ? 139 ASP B O   1 
ATOM   1130 C CB  . ASP A 1 133 ? -14.314 -20.646 -21.923 1.00 12.38 ? 139 ASP B CB  1 
ATOM   1131 C CG  . ASP A 1 133 ? -13.063 -21.453 -22.285 1.00 14.20 ? 139 ASP B CG  1 
ATOM   1132 O OD1 . ASP A 1 133 ? -12.942 -21.874 -23.446 1.00 14.56 ? 139 ASP B OD1 1 
ATOM   1133 O OD2 . ASP A 1 133 ? -12.239 -21.594 -21.352 1.00 17.69 ? 139 ASP B OD2 1 
ATOM   1134 N N   . TYR A 1 134 ? -15.331 -20.774 -25.392 1.00 11.06 ? 140 TYR B N   1 
ATOM   1135 C CA  . TYR A 1 134 ? -15.926 -21.598 -26.464 1.00 11.19 ? 140 TYR B CA  1 
ATOM   1136 C C   . TYR A 1 134 ? -15.444 -23.063 -26.393 1.00 11.39 ? 140 TYR B C   1 
ATOM   1137 O O   . TYR A 1 134 ? -16.199 -23.986 -26.348 1.00 12.38 ? 140 TYR B O   1 
ATOM   1138 C CB  . TYR A 1 134 ? -15.690 -20.990 -27.851 1.00 11.78 ? 140 TYR B CB  1 
ATOM   1139 C CG  . TYR A 1 134 ? -16.617 -21.595 -28.877 1.00 11.68 ? 140 TYR B CG  1 
ATOM   1140 C CD1 . TYR A 1 134 ? -16.425 -22.872 -29.394 1.00 11.66 ? 140 TYR B CD1 1 
ATOM   1141 C CD2 . TYR A 1 134 ? -17.742 -20.902 -29.302 1.00 11.77 ? 140 TYR B CD2 1 
ATOM   1142 C CE1 . TYR A 1 134 ? -17.324 -23.464 -30.255 1.00 11.28 ? 140 TYR B CE1 1 
ATOM   1143 C CE2 . TYR A 1 134 ? -18.655 -21.479 -30.176 1.00 11.28 ? 140 TYR B CE2 1 
ATOM   1144 C CZ  . TYR A 1 134 ? -18.453 -22.765 -30.676 1.00 10.72 ? 140 TYR B CZ  1 
ATOM   1145 O OH  . TYR A 1 134 ? -19.341 -23.364 -31.513 1.00 11.75 ? 140 TYR B OH  1 
ATOM   1146 N N   . GLU A 1 135 ? -14.143 -23.201 -26.300 1.00 13.10 ? 141 GLU B N   1 
ATOM   1147 C CA  . GLU A 1 135 ? -13.492 -24.537 -26.318 1.00 13.72 ? 141 GLU B CA  1 
ATOM   1148 C C   . GLU A 1 135 ? -13.905 -25.349 -25.102 1.00 13.32 ? 141 GLU B C   1 
ATOM   1149 O O   . GLU A 1 135 ? -14.284 -26.548 -25.258 1.00 14.88 ? 141 GLU B O   1 
ATOM   1150 C CB  . GLU A 1 135 ? -11.973 -24.430 -26.455 1.00 15.80 ? 141 GLU B CB  1 
ATOM   1151 C CG  . GLU A 1 135 ? -11.575 -24.285 -27.944 1.00 20.99 ? 141 GLU B CG  1 
ATOM   1152 C CD  . GLU A 1 135 ? -11.892 -22.946 -28.511 1.00 23.24 ? 141 GLU B CD  1 
ATOM   1153 O OE1 . GLU A 1 135 ? -12.008 -22.836 -29.679 1.00 23.06 ? 141 GLU B OE1 1 
ATOM   1154 O OE2 . GLU A 1 135 ? -11.959 -21.977 -27.718 1.00 24.15 ? 141 GLU B OE2 1 
ATOM   1155 N N   . ALA A 1 136 ? -13.948 -24.736 -23.919 1.00 12.07 ? 142 ALA B N   1 
ATOM   1156 C CA  . ALA A 1 136 ? -14.298 -25.440 -22.687 1.00 12.96 ? 142 ALA B CA  1 
ATOM   1157 C C   . ALA A 1 136 ? -15.795 -25.731 -22.607 1.00 13.31 ? 142 ALA B C   1 
ATOM   1158 O O   . ALA A 1 136 ? -16.210 -26.573 -21.813 1.00 14.86 ? 142 ALA B O   1 
ATOM   1159 C CB  . ALA A 1 136 ? -13.827 -24.657 -21.497 1.00 14.69 ? 142 ALA B CB  1 
ATOM   1160 N N   . GLY A 1 137 ? -16.640 -25.061 -23.379 1.00 11.34 ? 143 GLY B N   1 
ATOM   1161 C CA  . GLY A 1 137 ? -18.087 -25.216 -23.259 1.00 10.83 ? 143 GLY B CA  1 
ATOM   1162 C C   . GLY A 1 137 ? -18.667 -24.587 -21.971 1.00 9.50  ? 143 GLY B C   1 
ATOM   1163 O O   . GLY A 1 137 ? -19.425 -25.279 -21.288 1.00 10.45 ? 143 GLY B O   1 
ATOM   1164 N N   . VAL A 1 138 ? -18.257 -23.370 -21.681 1.00 10.40 ? 144 VAL B N   1 
ATOM   1165 C CA  . VAL A 1 138 ? -18.651 -22.661 -20.426 1.00 10.55 ? 144 VAL B CA  1 
ATOM   1166 C C   . VAL A 1 138 ? -19.239 -21.311 -20.785 1.00 10.30 ? 144 VAL B C   1 
ATOM   1167 O O   . VAL A 1 138 ? -18.636 -20.521 -21.562 1.00 10.55 ? 144 VAL B O   1 
ATOM   1168 C CB  . VAL A 1 138 ? -17.412 -22.469 -19.540 1.00 10.94 ? 144 VAL B CB  1 
ATOM   1169 C CG1 . VAL A 1 138 ? -17.625 -21.480 -18.359 1.00 11.37 ? 144 VAL B CG1 1 
ATOM   1170 C CG2 . VAL A 1 138 ? -16.913 -23.825 -19.062 1.00 13.54 ? 144 VAL B CG2 1 
ATOM   1171 N N   . VAL A 1 139 ? -20.316 -20.994 -20.065 1.00 9.64  ? 145 VAL B N   1 
ATOM   1172 C CA  . VAL A 1 139 ? -20.877 -19.609 -20.013 1.00 9.65  ? 145 VAL B CA  1 
ATOM   1173 C C   . VAL A 1 139 ? -21.099 -19.249 -18.529 1.00 8.71  ? 145 VAL B C   1 
ATOM   1174 O O   . VAL A 1 139 ? -21.880 -19.954 -17.875 1.00 9.60  ? 145 VAL B O   1 
ATOM   1175 C CB  . VAL A 1 139 ? -22.200 -19.484 -20.796 1.00 9.22  ? 145 VAL B CB  1 
ATOM   1176 C CG1 . VAL A 1 139 ? -22.675 -18.043 -20.815 1.00 9.70  ? 145 VAL B CG1 1 
ATOM   1177 C CG2 . VAL A 1 139 ? -22.088 -20.018 -22.205 1.00 9.52  ? 145 VAL B CG2 1 
ATOM   1178 N N   . SER A 1 140 ? -20.449 -18.214 -18.088 1.00 9.03  ? 146 SER B N   1 
ATOM   1179 C CA  . SER A 1 140 ? -20.552 -17.797 -16.669 1.00 9.70  ? 146 SER B CA  1 
ATOM   1180 C C   . SER A 1 140 ? -21.040 -16.351 -16.583 1.00 9.30  ? 146 SER B C   1 
ATOM   1181 O O   . SER A 1 140 ? -20.728 -15.511 -17.430 1.00 10.09 ? 146 SER B O   1 
ATOM   1182 C CB  . SER A 1 140 ? -19.222 -17.976 -15.930 1.00 9.78  ? 146 SER B CB  1 
ATOM   1183 O OG  . SER A 1 140 ? -18.828 -19.339 -15.840 1.00 10.75 ? 146 SER B OG  1 
ATOM   1184 N N   . PHE A 1 141 ? -21.704 -16.073 -15.464 1.00 8.68  ? 147 PHE B N   1 
ATOM   1185 C CA  . PHE A 1 141 ? -22.322 -14.777 -15.165 1.00 9.36  ? 147 PHE B CA  1 
ATOM   1186 C C   . PHE A 1 141 ? -21.805 -14.303 -13.819 1.00 9.32  ? 147 PHE B C   1 
ATOM   1187 O O   . PHE A 1 141 ? -21.808 -15.092 -12.818 1.00 9.99  ? 147 PHE B O   1 
ATOM   1188 C CB  . PHE A 1 141 ? -23.867 -14.871 -15.139 1.00 9.19  ? 147 PHE B CB  1 
ATOM   1189 C CG  . PHE A 1 141 ? -24.427 -15.285 -16.482 1.00 8.71  ? 147 PHE B CG  1 
ATOM   1190 C CD1 . PHE A 1 141 ? -24.489 -16.615 -16.886 1.00 9.39  ? 147 PHE B CD1 1 
ATOM   1191 C CD2 . PHE A 1 141 ? -24.983 -14.336 -17.337 1.00 9.20  ? 147 PHE B CD2 1 
ATOM   1192 C CE1 . PHE A 1 141 ? -24.991 -16.972 -18.136 1.00 8.92  ? 147 PHE B CE1 1 
ATOM   1193 C CE2 . PHE A 1 141 ? -25.463 -14.704 -18.595 1.00 9.24  ? 147 PHE B CE2 1 
ATOM   1194 C CZ  . PHE A 1 141 ? -25.509 -16.031 -18.973 1.00 9.01  ? 147 PHE B CZ  1 
ATOM   1195 N N   . TYR A 1 142 ? -21.498 -13.022 -13.730 1.00 9.44  ? 148 TYR B N   1 
ATOM   1196 C CA  . TYR A 1 142 ? -20.854 -12.395 -12.544 1.00 10.65 ? 148 TYR B CA  1 
ATOM   1197 C C   . TYR A 1 142 ? -21.620 -11.144 -12.156 1.00 11.10 ? 148 TYR B C   1 
ATOM   1198 O O   . TYR A 1 142 ? -22.111 -10.335 -12.991 1.00 11.42 ? 148 TYR B O   1 
ATOM   1199 C CB  . TYR A 1 142 ? -19.394 -12.074 -12.805 1.00 10.78 ? 148 TYR B CB  1 
ATOM   1200 C CG  . TYR A 1 142 ? -18.562 -13.298 -13.082 1.00 11.91 ? 148 TYR B CG  1 
ATOM   1201 C CD1 . TYR A 1 142 ? -18.048 -14.089 -12.073 1.00 12.44 ? 148 TYR B CD1 1 
ATOM   1202 C CD2 . TYR A 1 142 ? -18.389 -13.744 -14.397 1.00 12.21 ? 148 TYR B CD2 1 
ATOM   1203 C CE1 . TYR A 1 142 ? -17.390 -15.282 -12.345 1.00 12.69 ? 148 TYR B CE1 1 
ATOM   1204 C CE2 . TYR A 1 142 ? -17.695 -14.905 -14.692 1.00 12.68 ? 148 TYR B CE2 1 
ATOM   1205 C CZ  . TYR A 1 142 ? -17.179 -15.667 -13.661 1.00 12.85 ? 148 TYR B CZ  1 
ATOM   1206 O OH  . TYR A 1 142 ? -16.516 -16.862 -13.907 1.00 15.19 ? 148 TYR B OH  1 
ATOM   1207 N N   . ASN A 1 143 ? -21.687 -10.917 -10.846 1.00 12.44 ? 149 ASN B N   1 
ATOM   1208 C CA  . ASN A 1 143 ? -22.392 -9.758  -10.211 1.00 12.35 ? 149 ASN B CA  1 
ATOM   1209 C C   . ASN A 1 143 ? -21.359 -8.650  -10.045 1.00 12.32 ? 149 ASN B C   1 
ATOM   1210 O O   . ASN A 1 143 ? -20.584 -8.638  -9.029  1.00 14.20 ? 149 ASN B O   1 
ATOM   1211 C CB  . ASN A 1 143 ? -23.015 -10.184 -8.901  1.00 12.15 ? 149 ASN B CB  1 
ATOM   1212 C CG  . ASN A 1 143 ? -23.843 -9.073  -8.260  1.00 12.44 ? 149 ASN B CG  1 
ATOM   1213 O OD1 . ASN A 1 143 ? -23.658 -7.906  -8.605  1.00 14.33 ? 149 ASN B OD1 1 
ATOM   1214 N ND2 . ASN A 1 143 ? -24.715 -9.477  -7.399  1.00 14.00 ? 149 ASN B ND2 1 
ATOM   1215 N N   . ILE A 1 144 ? -21.284 -7.668  -10.950 1.00 13.32 ? 150 ILE B N   1 
ATOM   1216 C CA  . ILE A 1 144 ? -20.229 -6.635  -10.869 1.00 13.68 ? 150 ILE B CA  1 
ATOM   1217 C C   . ILE A 1 144 ? -20.486 -5.735  -9.650  1.00 15.62 ? 150 ILE B C   1 
ATOM   1218 O O   . ILE A 1 144 ? -19.492 -5.262  -9.057  1.00 17.35 ? 150 ILE B O   1 
ATOM   1219 C CB  . ILE A 1 144 ? -20.187 -5.841  -12.191 1.00 14.51 ? 150 ILE B CB  1 
ATOM   1220 C CG1 . ILE A 1 144 ? -19.991 -6.761  -13.408 1.00 16.20 ? 150 ILE B CG1 1 
ATOM   1221 C CG2 . ILE A 1 144 ? -19.162 -4.704  -12.176 1.00 16.54 ? 150 ILE B CG2 1 
ATOM   1222 C CD1 . ILE A 1 144 ? -18.967 -7.835  -13.236 1.00 19.59 ? 150 ILE B CD1 1 
ATOM   1223 N N   . THR A 1 145 ? -21.726 -5.524  -9.270  1.00 14.84 ? 151 THR B N   1 
ATOM   1224 C CA  . THR A 1 145 ? -22.103 -4.660  -8.100  1.00 15.57 ? 151 THR B CA  1 
ATOM   1225 C C   . THR A 1 145 ? -21.567 -5.309  -6.835  1.00 18.60 ? 151 THR B C   1 
ATOM   1226 O O   . THR A 1 145 ? -21.148 -4.555  -5.931  1.00 21.94 ? 151 THR B O   1 
ATOM   1227 C CB  . THR A 1 145 ? -23.628 -4.517  -8.046  1.00 15.36 ? 151 THR B CB  1 
ATOM   1228 O OG1 . THR A 1 145 ? -24.053 -4.051  -9.318  1.00 15.47 ? 151 THR B OG1 1 
ATOM   1229 C CG2 . THR A 1 145 ? -24.035 -3.564  -6.947  1.00 16.91 ? 151 THR B CG2 1 
ATOM   1230 N N   . ASP A 1 146 ? -21.507 -6.630  -6.744  1.00 16.95 ? 152 ASP B N   1 
ATOM   1231 C CA  . ASP A 1 146 ? -20.970 -7.387  -5.575  1.00 18.03 ? 152 ASP B CA  1 
ATOM   1232 C C   . ASP A 1 146 ? -19.556 -7.907  -5.847  1.00 17.79 ? 152 ASP B C   1 
ATOM   1233 O O   . ASP A 1 146 ? -19.340 -9.101  -5.648  1.00 20.00 ? 152 ASP B O   1 
ATOM   1234 C CB  . ASP A 1 146 ? -21.992 -8.419  -5.177  1.00 18.48 ? 152 ASP B CB  1 
ATOM   1235 C CG  . ASP A 1 146 ? -21.610 -9.201  -3.949  1.00 22.31 ? 152 ASP B CG  1 
ATOM   1236 O OD1 . ASP A 1 146 ? -21.181 -8.544  -2.988  1.00 24.03 ? 152 ASP B OD1 1 
ATOM   1237 O OD2 . ASP A 1 146 ? -21.765 -10.436 -3.973  1.00 21.93 ? 152 ASP B OD2 1 
ATOM   1238 N N   . HIS A 1 147 ? -18.644 -7.054  -6.258  1.00 20.21 ? 153 HIS B N   1 
ATOM   1239 C CA  . HIS A 1 147 ? -17.200 -7.373  -6.356  1.00 23.46 ? 153 HIS B CA  1 
ATOM   1240 C C   . HIS A 1 147 ? -17.008 -8.592  -7.271  1.00 22.07 ? 153 HIS B C   1 
ATOM   1241 O O   . HIS A 1 147 ? -16.084 -9.375  -7.054  1.00 24.66 ? 153 HIS B O   1 
ATOM   1242 C CB  . HIS A 1 147 ? -16.577 -7.695  -4.992  1.00 28.55 ? 153 HIS B CB  1 
ATOM   1243 C CG  . HIS A 1 147 ? -16.840 -6.734  -3.879  1.00 37.09 ? 153 HIS B CG  1 
ATOM   1244 N ND1 . HIS A 1 147 ? -16.336 -5.445  -3.877  1.00 44.87 ? 153 HIS B ND1 1 
ATOM   1245 C CD2 . HIS A 1 147 ? -17.488 -6.898  -2.702  1.00 42.27 ? 153 HIS B CD2 1 
ATOM   1246 C CE1 . HIS A 1 147 ? -16.695 -4.838  -2.759  1.00 47.72 ? 153 HIS B CE1 1 
ATOM   1247 N NE2 . HIS A 1 147 ? -17.397 -5.717  -2.012  1.00 44.98 ? 153 HIS B NE2 1 
ATOM   1248 N N   . GLY A 1 148 ? -17.851 -8.747  -8.297  1.00 17.59 ? 154 GLY B N   1 
ATOM   1249 C CA  . GLY A 1 148 ? -17.637 -9.813  -9.297  1.00 16.15 ? 154 GLY B CA  1 
ATOM   1250 C C   . GLY A 1 148 ? -18.041 -11.181 -8.817  1.00 14.41 ? 154 GLY B C   1 
ATOM   1251 O O   . GLY A 1 148 ? -17.524 -12.133 -9.402  1.00 15.27 ? 154 GLY B O   1 
ATOM   1252 N N   . SER A 1 149 ? -18.861 -11.332 -7.826  1.00 13.75 ? 155 SER B N   1 
ATOM   1253 C CA  . SER A 1 149 ? -19.224 -12.662 -7.310  1.00 12.57 ? 155 SER B CA  1 
ATOM   1254 C C   . SER A 1 149 ? -19.889 -13.496 -8.412  1.00 12.14 ? 155 SER B C   1 
ATOM   1255 O O   . SER A 1 149 ? -20.702 -12.972 -9.219  1.00 12.69 ? 155 SER B O   1 
ATOM   1256 C CB  . SER A 1 149 ? -20.087 -12.566 -6.077  1.00 14.12 ? 155 SER B CB  1 
ATOM   1257 O OG  . SER A 1 149 ? -21.278 -11.798 -6.266  1.00 14.51 ? 155 SER B OG  1 
ATOM   1258 N N   . LEU A 1 150 ? -19.714 -14.787 -8.365  1.00 11.31 ? 156 LEU B N   1 
ATOM   1259 C CA  . LEU A 1 150 ? -20.330 -15.697 -9.368  1.00 10.68 ? 156 LEU B CA  1 
ATOM   1260 C C   . LEU A 1 150 ? -21.816 -15.771 -9.126  1.00 10.63 ? 156 LEU B C   1 
ATOM   1261 O O   . LEU A 1 150 ? -22.323 -15.994 -7.996  1.00 10.95 ? 156 LEU B O   1 
ATOM   1262 C CB  . LEU A 1 150 ? -19.701 -17.082 -9.190  1.00 11.16 ? 156 LEU B CB  1 
ATOM   1263 C CG  . LEU A 1 150 ? -20.262 -18.143 -10.151 1.00 11.29 ? 156 LEU B CG  1 
ATOM   1264 C CD1 . LEU A 1 150 ? -19.911 -17.867 -11.610 1.00 11.42 ? 156 LEU B CD1 1 
ATOM   1265 C CD2 . LEU A 1 150 ? -19.691 -19.533 -9.763  1.00 11.95 ? 156 LEU B CD2 1 
ATOM   1266 N N   . ILE A 1 151 ? -22.586 -15.592 -10.216 1.00 10.48 ? 157 ILE B N   1 
ATOM   1267 C CA  . ILE A 1 151 ? -24.036 -15.817 -10.248 1.00 10.40 ? 157 ILE B CA  1 
ATOM   1268 C C   . ILE A 1 151 ? -24.388 -17.238 -10.696 1.00 9.36  ? 157 ILE B C   1 
ATOM   1269 O O   . ILE A 1 151 ? -25.182 -17.954 -10.099 1.00 9.61  ? 157 ILE B O   1 
ATOM   1270 C CB  . ILE A 1 151 ? -24.736 -14.762 -11.138 1.00 10.95 ? 157 ILE B CB  1 
ATOM   1271 C CG1 . ILE A 1 151 ? -24.573 -13.368 -10.548 1.00 10.90 ? 157 ILE B CG1 1 
ATOM   1272 C CG2 . ILE A 1 151 ? -26.197 -15.133 -11.341 1.00 10.80 ? 157 ILE B CG2 1 
ATOM   1273 C CD1 . ILE A 1 151 ? -24.972 -12.259 -11.503 1.00 11.59 ? 157 ILE B CD1 1 
ATOM   1274 N N   . TYR A 1 152 ? -23.797 -17.676 -11.836 1.00 9.35  ? 158 TYR B N   1 
ATOM   1275 C CA  . TYR A 1 152 ? -24.187 -18.979 -12.432 1.00 9.47  ? 158 TYR B CA  1 
ATOM   1276 C C   . TYR A 1 152 ? -23.147 -19.386 -13.479 1.00 9.18  ? 158 TYR B C   1 
ATOM   1277 O O   . TYR A 1 152 ? -22.660 -18.520 -14.218 1.00 9.24  ? 158 TYR B O   1 
ATOM   1278 C CB  . TYR A 1 152 ? -25.577 -18.932 -13.129 1.00 8.95  ? 158 TYR B CB  1 
ATOM   1279 C CG  . TYR A 1 152 ? -26.096 -20.295 -13.466 1.00 8.77  ? 158 TYR B CG  1 
ATOM   1280 C CD1 . TYR A 1 152 ? -26.729 -21.089 -12.513 1.00 9.39  ? 158 TYR B CD1 1 
ATOM   1281 C CD2 . TYR A 1 152 ? -25.950 -20.830 -14.755 1.00 9.06  ? 158 TYR B CD2 1 
ATOM   1282 C CE1 . TYR A 1 152 ? -27.130 -22.361 -12.788 1.00 9.82  ? 158 TYR B CE1 1 
ATOM   1283 C CE2 . TYR A 1 152 ? -26.404 -22.094 -15.038 1.00 9.98  ? 158 TYR B CE2 1 
ATOM   1284 C CZ  . TYR A 1 152 ? -26.973 -22.869 -14.065 1.00 9.54  ? 158 TYR B CZ  1 
ATOM   1285 O OH  . TYR A 1 152 ? -27.346 -24.163 -14.361 1.00 11.61 ? 158 TYR B OH  1 
ATOM   1286 N N   . THR A 1 153 ? -22.850 -20.692 -13.552 1.00 9.15  ? 159 THR B N   1 
ATOM   1287 C CA  . THR A 1 153 ? -22.017 -21.296 -14.631 1.00 9.09  ? 159 THR B CA  1 
ATOM   1288 C C   . THR A 1 153 ? -22.797 -22.404 -15.297 1.00 9.26  ? 159 THR B C   1 
ATOM   1289 O O   . THR A 1 153 ? -23.181 -23.390 -14.684 1.00 10.17 ? 159 THR B O   1 
ATOM   1290 C CB  . THR A 1 153 ? -20.668 -21.817 -14.093 1.00 9.74  ? 159 THR B CB  1 
ATOM   1291 O OG1 . THR A 1 153 ? -19.917 -20.688 -13.668 1.00 10.27 ? 159 THR B OG1 1 
ATOM   1292 C CG2 . THR A 1 153 ? -19.914 -22.645 -15.123 1.00 10.81 ? 159 THR B CG2 1 
ATOM   1293 N N   . PHE A 1 154 ? -23.026 -22.225 -16.619 1.00 9.34  ? 160 PHE B N   1 
ATOM   1294 C CA  . PHE A 1 154 ? -23.399 -23.337 -17.520 1.00 8.95  ? 160 PHE B CA  1 
ATOM   1295 C C   . PHE A 1 154 ? -22.084 -24.016 -17.958 1.00 9.47  ? 160 PHE B C   1 
ATOM   1296 O O   . PHE A 1 154 ? -21.221 -23.372 -18.537 1.00 9.86  ? 160 PHE B O   1 
ATOM   1297 C CB  . PHE A 1 154 ? -24.069 -22.864 -18.813 1.00 9.39  ? 160 PHE B CB  1 
ATOM   1298 C CG  . PHE A 1 154 ? -25.446 -22.244 -18.642 1.00 8.10  ? 160 PHE B CG  1 
ATOM   1299 C CD1 . PHE A 1 154 ? -25.642 -20.890 -18.393 1.00 8.10  ? 160 PHE B CD1 1 
ATOM   1300 C CD2 . PHE A 1 154 ? -26.567 -23.002 -18.843 1.00 8.83  ? 160 PHE B CD2 1 
ATOM   1301 C CE1 . PHE A 1 154 ? -26.916 -20.346 -18.297 1.00 8.76  ? 160 PHE B CE1 1 
ATOM   1302 C CE2 . PHE A 1 154 ? -27.852 -22.454 -18.764 1.00 9.63  ? 160 PHE B CE2 1 
ATOM   1303 C CZ  . PHE A 1 154 ? -28.004 -21.111 -18.507 1.00 8.89  ? 160 PHE B CZ  1 
ATOM   1304 N N   . SER A 1 155 ? -21.966 -25.305 -17.647 1.00 10.36 ? 161 SER B N   1 
ATOM   1305 C CA  . SER A 1 155 ? -20.816 -26.099 -18.118 1.00 11.55 ? 161 SER B CA  1 
ATOM   1306 C C   . SER A 1 155 ? -21.346 -27.243 -18.947 1.00 10.66 ? 161 SER B C   1 
ATOM   1307 O O   . SER A 1 155 ? -22.511 -27.517 -19.040 1.00 12.45 ? 161 SER B O   1 
ATOM   1308 C CB  . SER A 1 155 ? -19.986 -26.539 -16.968 1.00 12.61 ? 161 SER B CB  1 
ATOM   1309 O OG  . SER A 1 155 ? -20.668 -27.442 -16.188 1.00 15.56 ? 161 SER B OG  1 
ATOM   1310 N N   . GLU A 1 156 ? -20.398 -27.906 -19.644 1.00 12.77 ? 162 GLU B N   1 
ATOM   1311 C CA  . GLU A 1 156 ? -20.733 -28.986 -20.611 1.00 14.22 ? 162 GLU B CA  1 
ATOM   1312 C C   . GLU A 1 156 ? -21.686 -28.462 -21.696 1.00 12.00 ? 162 GLU B C   1 
ATOM   1313 O O   . GLU A 1 156 ? -22.629 -29.158 -22.145 1.00 13.89 ? 162 GLU B O   1 
ATOM   1314 C CB  . GLU A 1 156 ? -21.362 -30.191 -19.914 1.00 17.42 ? 162 GLU B CB  1 
ATOM   1315 C CG  . GLU A 1 156 ? -20.647 -30.709 -18.688 1.00 21.78 ? 162 GLU B CG  1 
ATOM   1316 C CD  . GLU A 1 156 ? -21.350 -31.992 -18.302 1.00 31.20 ? 162 GLU B CD  1 
ATOM   1317 O OE1 . GLU A 1 156 ? -22.404 -31.940 -17.607 1.00 31.90 ? 162 GLU B OE1 1 
ATOM   1318 O OE2 . GLU A 1 156 ? -20.959 -33.016 -18.874 1.00 35.13 ? 162 GLU B OE2 1 
ATOM   1319 N N   . CYS A 1 157 ? -21.480 -27.197 -22.063 1.00 11.50 ? 163 CYS B N   1 
ATOM   1320 C CA  . CYS A 1 157 ? -22.348 -26.586 -23.107 1.00 11.18 ? 163 CYS B CA  1 
ATOM   1321 C C   . CYS A 1 157 ? -22.072 -27.253 -24.469 1.00 11.59 ? 163 CYS B C   1 
ATOM   1322 O O   . CYS A 1 157 ? -20.885 -27.434 -24.817 1.00 13.35 ? 163 CYS B O   1 
ATOM   1323 C CB  . CYS A 1 157 ? -22.155 -25.074 -23.239 1.00 10.23 ? 163 CYS B CB  1 
ATOM   1324 S SG  . CYS A 1 157 ? -22.596 -24.137 -21.761 1.00 10.93 ? 163 CYS B SG  1 
ATOM   1325 N N   . VAL A 1 158 ? -23.121 -27.478 -25.217 1.00 10.98 ? 164 VAL B N   1 
ATOM   1326 C CA  . VAL A 1 158 ? -22.967 -28.004 -26.605 1.00 11.61 ? 164 VAL B CA  1 
ATOM   1327 C C   . VAL A 1 158 ? -23.450 -26.867 -27.509 1.00 10.83 ? 164 VAL B C   1 
ATOM   1328 O O   . VAL A 1 158 ? -24.626 -26.818 -27.879 1.00 11.82 ? 164 VAL B O   1 
ATOM   1329 C CB  . VAL A 1 158 ? -23.677 -29.371 -26.728 1.00 12.98 ? 164 VAL B CB  1 
ATOM   1330 C CG1 . VAL A 1 158 ? -23.571 -29.860 -28.195 1.00 13.49 ? 164 VAL B CG1 1 
ATOM   1331 C CG2 . VAL A 1 158 ? -23.112 -30.396 -25.731 1.00 14.55 ? 164 VAL B CG2 1 
ATOM   1332 N N   . PHE A 1 159 ? -22.575 -25.944 -27.846 1.00 10.40 ? 165 PHE B N   1 
ATOM   1333 C CA  . PHE A 1 159 ? -22.941 -24.713 -28.575 1.00 11.17 ? 165 PHE B CA  1 
ATOM   1334 C C   . PHE A 1 159 ? -23.519 -25.080 -29.939 1.00 10.75 ? 165 PHE B C   1 
ATOM   1335 O O   . PHE A 1 159 ? -24.532 -24.485 -30.384 1.00 12.32 ? 165 PHE B O   1 
ATOM   1336 C CB  . PHE A 1 159 ? -21.783 -23.749 -28.620 1.00 10.77 ? 165 PHE B CB  1 
ATOM   1337 C CG  . PHE A 1 159 ? -21.356 -23.244 -27.255 1.00 10.26 ? 165 PHE B CG  1 
ATOM   1338 C CD1 . PHE A 1 159 ? -22.297 -22.720 -26.360 1.00 9.80  ? 165 PHE B CD1 1 
ATOM   1339 C CD2 . PHE A 1 159 ? -20.031 -23.232 -26.879 1.00 11.15 ? 165 PHE B CD2 1 
ATOM   1340 C CE1 . PHE A 1 159 ? -21.894 -22.256 -25.095 1.00 10.16 ? 165 PHE B CE1 1 
ATOM   1341 C CE2 . PHE A 1 159 ? -19.621 -22.751 -25.644 1.00 11.23 ? 165 PHE B CE2 1 
ATOM   1342 C CZ  . PHE A 1 159 ? -20.560 -22.235 -24.766 1.00 10.69 ? 165 PHE B CZ  1 
ATOM   1343 N N   . ALA A 1 160 ? -22.815 -25.935 -30.717 1.00 11.18 ? 166 ALA B N   1 
ATOM   1344 C CA  . ALA A 1 160 ? -23.289 -26.532 -31.988 1.00 11.35 ? 166 ALA B CA  1 
ATOM   1345 C C   . ALA A 1 160 ? -23.438 -25.452 -33.052 1.00 10.96 ? 166 ALA B C   1 
ATOM   1346 O O   . ALA A 1 160 ? -24.243 -25.660 -34.015 1.00 12.76 ? 166 ALA B O   1 
ATOM   1347 C CB  . ALA A 1 160 ? -24.493 -27.343 -31.792 1.00 12.04 ? 166 ALA B CB  1 
ATOM   1348 N N   . GLY A 1 161 ? -22.708 -24.394 -32.970 1.00 11.34 ? 167 GLY B N   1 
ATOM   1349 C CA  . GLY A 1 161 ? -22.733 -23.314 -33.971 1.00 11.86 ? 167 GLY B CA  1 
ATOM   1350 C C   . GLY A 1 161 ? -22.008 -22.091 -33.470 1.00 11.26 ? 167 GLY B C   1 
ATOM   1351 O O   . GLY A 1 161 ? -21.591 -22.056 -32.287 1.00 11.55 ? 167 GLY B O   1 
ATOM   1352 N N   . PRO A 1 162 ? -21.875 -21.065 -34.292 1.00 10.56 ? 168 PRO B N   1 
ATOM   1353 C CA  . PRO A 1 162 ? -21.397 -19.773 -33.837 1.00 11.01 ? 168 PRO B CA  1 
ATOM   1354 C C   . PRO A 1 162 ? -22.351 -19.206 -32.758 1.00 10.59 ? 168 PRO B C   1 
ATOM   1355 O O   . PRO A 1 162 ? -23.550 -19.433 -32.851 1.00 10.87 ? 168 PRO B O   1 
ATOM   1356 C CB  . PRO A 1 162 ? -21.385 -18.867 -35.085 1.00 11.45 ? 168 PRO B CB  1 
ATOM   1357 C CG  . PRO A 1 162 ? -21.518 -19.874 -36.258 1.00 11.48 ? 168 PRO B CG  1 
ATOM   1358 C CD  . PRO A 1 162 ? -22.308 -20.999 -35.718 1.00 10.38 ? 168 PRO B CD  1 
ATOM   1359 N N   . LEU A 1 163 ? -21.777 -18.445 -31.849 1.00 10.23 ? 169 LEU B N   1 
ATOM   1360 C CA  . LEU A 1 163 ? -22.542 -17.763 -30.774 1.00 9.40  ? 169 LEU B CA  1 
ATOM   1361 C C   . LEU A 1 163 ? -22.635 -16.276 -31.022 1.00 9.99  ? 169 LEU B C   1 
ATOM   1362 O O   . LEU A 1 163 ? -21.688 -15.654 -31.488 1.00 11.42 ? 169 LEU B O   1 
ATOM   1363 C CB  . LEU A 1 163 ? -21.843 -18.015 -29.429 1.00 10.23 ? 169 LEU B CB  1 
ATOM   1364 C CG  . LEU A 1 163 ? -21.894 -19.430 -28.857 1.00 11.39 ? 169 LEU B CG  1 
ATOM   1365 C CD1 . LEU A 1 163 ? -21.042 -19.487 -27.589 1.00 11.27 ? 169 LEU B CD1 1 
ATOM   1366 C CD2 . LEU A 1 163 ? -23.312 -19.918 -28.611 1.00 11.58 ? 169 LEU B CD2 1 
ATOM   1367 N N   . ARG A 1 164 ? -23.761 -15.716 -30.624 1.00 9.56  ? 170 ARG B N   1 
ATOM   1368 C CA  . ARG A 1 164 ? -23.986 -14.270 -30.622 1.00 9.64  ? 170 ARG B CA  1 
ATOM   1369 C C   . ARG A 1 164 ? -24.417 -13.772 -29.231 1.00 8.48  ? 170 ARG B C   1 
ATOM   1370 O O   . ARG A 1 164 ? -25.187 -14.464 -28.549 1.00 9.26  ? 170 ARG B O   1 
ATOM   1371 C CB  . ARG A 1 164 ? -25.059 -13.911 -31.648 1.00 10.42 ? 170 ARG B CB  1 
ATOM   1372 C CG  . ARG A 1 164 ? -24.595 -14.245 -33.081 1.00 11.92 ? 170 ARG B CG  1 
ATOM   1373 C CD  . ARG A 1 164 ? -25.538 -13.863 -34.207 1.00 12.66 ? 170 ARG B CD  1 
ATOM   1374 N NE  . ARG A 1 164 ? -25.598 -12.437 -34.318 1.00 13.29 ? 170 ARG B NE  1 
ATOM   1375 C CZ  . ARG A 1 164 ? -26.307 -11.804 -35.255 1.00 13.39 ? 170 ARG B CZ  1 
ATOM   1376 N NH1 . ARG A 1 164 ? -26.929 -12.499 -36.173 1.00 14.13 ? 170 ARG B NH1 1 
ATOM   1377 N NH2 . ARG A 1 164 ? -26.340 -10.507 -35.243 1.00 12.99 ? 170 ARG B NH2 1 
ATOM   1378 N N   . PRO A 1 165 ? -23.966 -12.592 -28.817 1.00 8.13  ? 171 PRO B N   1 
ATOM   1379 C CA  . PRO A 1 165 ? -24.530 -11.995 -27.590 1.00 8.64  ? 171 PRO B CA  1 
ATOM   1380 C C   . PRO A 1 165 ? -26.057 -11.834 -27.744 1.00 8.49  ? 171 PRO B C   1 
ATOM   1381 O O   . PRO A 1 165 ? -26.560 -11.501 -28.806 1.00 9.35  ? 171 PRO B O   1 
ATOM   1382 C CB  . PRO A 1 165 ? -23.832 -10.646 -27.479 1.00 9.21  ? 171 PRO B CB  1 
ATOM   1383 C CG  . PRO A 1 165 ? -22.527 -10.814 -28.296 1.00 10.56 ? 171 PRO B CG  1 
ATOM   1384 C CD  . PRO A 1 165 ? -22.948 -11.730 -29.418 1.00 10.32 ? 171 PRO B CD  1 
ATOM   1385 N N   . PHE A 1 166 ? -26.775 -12.110 -26.649 1.00 8.28  ? 172 PHE B N   1 
ATOM   1386 C CA  . PHE A 1 166 ? -28.235 -12.132 -26.631 1.00 8.50  ? 172 PHE B CA  1 
ATOM   1387 C C   . PHE A 1 166 ? -28.762 -11.184 -25.539 1.00 7.82  ? 172 PHE B C   1 
ATOM   1388 O O   . PHE A 1 166 ? -28.261 -11.168 -24.419 1.00 8.34  ? 172 PHE B O   1 
ATOM   1389 C CB  . PHE A 1 166 ? -28.721 -13.548 -26.370 1.00 8.88  ? 172 PHE B CB  1 
ATOM   1390 C CG  . PHE A 1 166 ? -30.220 -13.656 -26.186 1.00 8.91  ? 172 PHE B CG  1 
ATOM   1391 C CD1 . PHE A 1 166 ? -31.083 -13.672 -27.269 1.00 9.86  ? 172 PHE B CD1 1 
ATOM   1392 C CD2 . PHE A 1 166 ? -30.791 -13.697 -24.918 1.00 10.62 ? 172 PHE B CD2 1 
ATOM   1393 C CE1 . PHE A 1 166 ? -32.452 -13.704 -27.093 1.00 10.51 ? 172 PHE B CE1 1 
ATOM   1394 C CE2 . PHE A 1 166 ? -32.178 -13.714 -24.770 1.00 10.74 ? 172 PHE B CE2 1 
ATOM   1395 C CZ  . PHE A 1 166 ? -32.988 -13.727 -25.859 1.00 10.88 ? 172 PHE B CZ  1 
ATOM   1396 N N   . PHE A 1 167 ? -29.827 -10.441 -25.879 1.00 8.16  ? 173 PHE B N   1 
ATOM   1397 C CA  . PHE A 1 167 ? -30.441 -9.428  -25.010 1.00 8.43  ? 173 PHE B CA  1 
ATOM   1398 C C   . PHE A 1 167 ? -31.959 -9.489  -25.131 1.00 8.76  ? 173 PHE B C   1 
ATOM   1399 O O   . PHE A 1 167 ? -32.495 -9.549  -26.232 1.00 9.49  ? 173 PHE B O   1 
ATOM   1400 C CB  . PHE A 1 167 ? -29.981 -7.997  -25.381 1.00 9.21  ? 173 PHE B CB  1 
ATOM   1401 C CG  . PHE A 1 167 ? -28.477 -7.852  -25.496 1.00 8.62  ? 173 PHE B CG  1 
ATOM   1402 C CD1 . PHE A 1 167 ? -27.837 -8.186  -26.683 1.00 8.65  ? 173 PHE B CD1 1 
ATOM   1403 C CD2 . PHE A 1 167 ? -27.718 -7.362  -24.451 1.00 9.94  ? 173 PHE B CD2 1 
ATOM   1404 C CE1 . PHE A 1 167 ? -26.456 -8.107  -26.797 1.00 9.09  ? 173 PHE B CE1 1 
ATOM   1405 C CE2 . PHE A 1 167 ? -26.335 -7.282  -24.573 1.00 10.51 ? 173 PHE B CE2 1 
ATOM   1406 C CZ  . PHE A 1 167 ? -25.723 -7.602  -25.753 1.00 10.04 ? 173 PHE B CZ  1 
ATOM   1407 N N   . ASN A 1 168 ? -32.636 -9.291  -23.997 1.00 9.22  ? 174 ASN B N   1 
ATOM   1408 C CA  . ASN A 1 168 ? -34.099 -9.031  -23.956 1.00 9.04  ? 174 ASN B CA  1 
ATOM   1409 C C   . ASN A 1 168 ? -34.297 -7.900  -22.969 1.00 9.16  ? 174 ASN B C   1 
ATOM   1410 O O   . ASN A 1 168 ? -33.990 -8.051  -21.784 1.00 9.52  ? 174 ASN B O   1 
ATOM   1411 C CB  . ASN A 1 168 ? -34.868 -10.267 -23.524 1.00 9.78  ? 174 ASN B CB  1 
ATOM   1412 C CG  . ASN A 1 168 ? -36.366 -10.098 -23.637 1.00 11.28 ? 174 ASN B CG  1 
ATOM   1413 O OD1 . ASN A 1 168 ? -36.899 -9.035  -23.945 1.00 11.86 ? 174 ASN B OD1 1 
ATOM   1414 N ND2 . ASN A 1 168 ? -37.093 -11.172 -23.381 1.00 13.51 ? 174 ASN B ND2 1 
ATOM   1415 N N   . VAL A 1 169 ? -34.816 -6.772  -23.475 1.00 9.47  ? 175 VAL B N   1 
ATOM   1416 C CA  . VAL A 1 169 ? -35.084 -5.625  -22.571 1.00 10.10 ? 175 VAL B CA  1 
ATOM   1417 C C   . VAL A 1 169 ? -36.324 -5.860  -21.710 1.00 10.45 ? 175 VAL B C   1 
ATOM   1418 O O   . VAL A 1 169 ? -36.565 -5.034  -20.777 1.00 11.88 ? 175 VAL B O   1 
ATOM   1419 C CB  . VAL A 1 169 ? -35.197 -4.286  -23.326 1.00 10.92 ? 175 VAL B CB  1 
ATOM   1420 C CG1 . VAL A 1 169 ? -33.916 -3.926  -24.019 1.00 11.76 ? 175 VAL B CG1 1 
ATOM   1421 C CG2 . VAL A 1 169 ? -36.359 -4.243  -24.304 1.00 10.87 ? 175 VAL B CG2 1 
ATOM   1422 N N   . GLY A 1 170 ? -37.139 -6.854  -22.047 1.00 10.78 ? 176 GLY B N   1 
ATOM   1423 C CA  . GLY A 1 170 ? -38.452 -7.085  -21.384 1.00 11.08 ? 176 GLY B CA  1 
ATOM   1424 C C   . GLY A 1 170 ? -39.537 -6.097  -21.783 1.00 11.60 ? 176 GLY B C   1 
ATOM   1425 O O   . GLY A 1 170 ? -39.331 -5.082  -22.406 1.00 11.70 ? 176 GLY B O   1 
ATOM   1426 N N   . PHE A 1 171 ? -40.779 -6.565  -21.607 1.00 12.17 ? 177 PHE B N   1 
ATOM   1427 C CA  . PHE A 1 171 ? -41.991 -5.730  -21.749 1.00 11.62 ? 177 PHE B CA  1 
ATOM   1428 C C   . PHE A 1 171 ? -42.034 -4.670  -20.654 1.00 11.42 ? 177 PHE B C   1 
ATOM   1429 O O   . PHE A 1 171 ? -41.305 -4.762  -19.656 1.00 11.38 ? 177 PHE B O   1 
ATOM   1430 C CB  . PHE A 1 171 ? -43.268 -6.593  -21.802 1.00 12.39 ? 177 PHE B CB  1 
ATOM   1431 C CG  . PHE A 1 171 ? -43.398 -7.477  -23.016 1.00 13.88 ? 177 PHE B CG  1 
ATOM   1432 C CD1 . PHE A 1 171 ? -43.818 -6.943  -24.216 1.00 16.49 ? 177 PHE B CD1 1 
ATOM   1433 C CD2 . PHE A 1 171 ? -43.084 -8.812  -22.952 1.00 14.45 ? 177 PHE B CD2 1 
ATOM   1434 C CE1 . PHE A 1 171 ? -43.924 -7.754  -25.350 1.00 18.54 ? 177 PHE B CE1 1 
ATOM   1435 C CE2 . PHE A 1 171 ? -43.226 -9.614  -24.086 1.00 15.64 ? 177 PHE B CE2 1 
ATOM   1436 C CZ  . PHE A 1 171 ? -43.643 -9.086  -25.254 1.00 17.63 ? 177 PHE B CZ  1 
ATOM   1437 N N   . ASN A 1 172 ? -42.897 -3.711  -20.870 1.00 11.90 ? 178 ASN B N   1 
ATOM   1438 C CA  . ASN A 1 172 ? -43.070 -2.628  -19.880 1.00 10.87 ? 178 ASN B CA  1 
ATOM   1439 C C   . ASN A 1 172 ? -44.583 -2.505  -19.625 1.00 11.25 ? 178 ASN B C   1 
ATOM   1440 O O   . ASN A 1 172 ? -45.107 -1.377  -19.683 1.00 12.58 ? 178 ASN B O   1 
ATOM   1441 C CB  . ASN A 1 172 ? -42.427 -1.354  -20.366 1.00 11.74 ? 178 ASN B CB  1 
ATOM   1442 C CG  . ASN A 1 172 ? -42.442 -0.273  -19.314 1.00 11.50 ? 178 ASN B CG  1 
ATOM   1443 O OD1 . ASN A 1 172 ? -42.458 -0.522  -18.132 1.00 11.32 ? 178 ASN B OD1 1 
ATOM   1444 N ND2 . ASN A 1 172 ? -42.482 0.952   -19.791 1.00 13.79 ? 178 ASN B ND2 1 
ATOM   1445 N N   . TYR A 1 173 ? -45.269 -3.585  -19.292 1.00 12.06 ? 179 TYR B N   1 
ATOM   1446 C CA  . TYR A 1 173 ? -46.699 -3.481  -18.884 1.00 11.22 ? 179 TYR B CA  1 
ATOM   1447 C C   . TYR A 1 173 ? -46.828 -2.676  -17.594 1.00 11.88 ? 179 TYR B C   1 
ATOM   1448 O O   . TYR A 1 173 ? -47.899 -2.000  -17.395 1.00 11.97 ? 179 TYR B O   1 
ATOM   1449 C CB  . TYR A 1 173 ? -47.303 -4.890  -18.680 1.00 12.35 ? 179 TYR B CB  1 
ATOM   1450 C CG  . TYR A 1 173 ? -47.383 -5.765  -19.915 1.00 14.19 ? 179 TYR B CG  1 
ATOM   1451 C CD1 . TYR A 1 173 ? -48.355 -5.552  -20.880 1.00 15.63 ? 179 TYR B CD1 1 
ATOM   1452 C CD2 . TYR A 1 173 ? -46.508 -6.837  -20.078 1.00 15.64 ? 179 TYR B CD2 1 
ATOM   1453 C CE1 . TYR A 1 173 ? -48.370 -6.305  -22.054 1.00 16.49 ? 179 TYR B CE1 1 
ATOM   1454 C CE2 . TYR A 1 173 ? -46.550 -7.610  -21.251 1.00 15.35 ? 179 TYR B CE2 1 
ATOM   1455 C CZ  . TYR A 1 173 ? -47.471 -7.333  -22.220 1.00 16.38 ? 179 TYR B CZ  1 
ATOM   1456 O OH  . TYR A 1 173 ? -47.593 -8.098  -23.384 1.00 21.40 ? 179 TYR B OH  1 
ATOM   1457 N N   . SER A 1 174 ? -45.871 -2.692  -16.683 1.00 10.40 ? 180 SER B N   1 
ATOM   1458 C CA  . SER A 1 174 ? -45.969 -2.100  -15.338 1.00 11.71 ? 180 SER B CA  1 
ATOM   1459 C C   . SER A 1 174 ? -45.686 -0.599  -15.394 1.00 11.39 ? 180 SER B C   1 
ATOM   1460 O O   . SER A 1 174 ? -45.966 0.109   -14.401 1.00 13.92 ? 180 SER B O   1 
ATOM   1461 C CB  . SER A 1 174 ? -44.988 -2.703  -14.391 1.00 12.19 ? 180 SER B CB  1 
ATOM   1462 O OG  . SER A 1 174 ? -43.659 -2.411  -14.871 1.00 12.24 ? 180 SER B OG  1 
ATOM   1463 N N   . GLY A 1 175 ? -45.054 -0.079  -16.431 1.00 10.22 ? 181 GLY B N   1 
ATOM   1464 C CA  . GLY A 1 175 ? -44.529 1.290   -16.396 1.00 10.93 ? 181 GLY B CA  1 
ATOM   1465 C C   . GLY A 1 175 ? -43.272 1.449   -15.585 1.00 11.49 ? 181 GLY B C   1 
ATOM   1466 O O   . GLY A 1 175 ? -42.756 2.583   -15.496 1.00 14.18 ? 181 GLY B O   1 
ATOM   1467 N N   . GLY A 1 176 ? -42.711 0.376   -15.035 1.00 10.74 ? 182 GLY B N   1 
ATOM   1468 C CA  . GLY A 1 176 ? -41.484 0.448   -14.224 1.00 11.44 ? 182 GLY B CA  1 
ATOM   1469 C C   . GLY A 1 176 ? -40.284 -0.205  -14.934 1.00 11.29 ? 182 GLY B C   1 
ATOM   1470 O O   . GLY A 1 176 ? -39.233 -0.300  -14.273 1.00 13.08 ? 182 GLY B O   1 
ATOM   1471 N N   . ASN A 1 177 ? -40.397 -0.619  -16.168 1.00 10.02 ? 183 ASN B N   1 
ATOM   1472 C CA  . ASN A 1 177 ? -39.329 -1.353  -16.871 1.00 9.78  ? 183 ASN B CA  1 
ATOM   1473 C C   . ASN A 1 177 ? -38.885 -0.649  -18.159 1.00 10.00 ? 183 ASN B C   1 
ATOM   1474 O O   . ASN A 1 177 ? -38.349 -1.312  -19.037 1.00 11.72 ? 183 ASN B O   1 
ATOM   1475 C CB  . ASN A 1 177 ? -39.730 -2.799  -17.158 1.00 10.02 ? 183 ASN B CB  1 
ATOM   1476 C CG  . ASN A 1 177 ? -38.503 -3.673  -17.482 1.00 10.16 ? 183 ASN B CG  1 
ATOM   1477 O OD1 . ASN A 1 177 ? -37.468 -3.457  -16.874 1.00 11.09 ? 183 ASN B OD1 1 
ATOM   1478 N ND2 . ASN A 1 177 ? -38.683 -4.583  -18.432 1.00 9.57  ? 183 ASN B ND2 1 
ATOM   1479 N N   . ALA A 1 178 ? -38.985 0.672   -18.248 1.00 11.30 ? 184 ALA B N   1 
ATOM   1480 C CA  . ALA A 1 178 ? -38.618 1.396   -19.481 1.00 11.61 ? 184 ALA B CA  1 
ATOM   1481 C C   . ALA A 1 178 ? -37.108 1.560   -19.629 1.00 12.60 ? 184 ALA B C   1 
ATOM   1482 O O   . ALA A 1 178 ? -36.679 1.817   -20.764 1.00 13.59 ? 184 ALA B O   1 
ATOM   1483 C CB  . ALA A 1 178 ? -39.300 2.802   -19.483 1.00 12.29 ? 184 ALA B CB  1 
ATOM   1484 N N   . ALA A 1 179 ? -36.343 1.415   -18.565 1.00 11.35 ? 185 ALA B N   1 
ATOM   1485 C CA  . ALA A 1 179 ? -34.892 1.736   -18.645 1.00 11.92 ? 185 ALA B CA  1 
ATOM   1486 C C   . ALA A 1 179 ? -34.191 0.832   -19.671 1.00 11.90 ? 185 ALA B C   1 
ATOM   1487 O O   . ALA A 1 179 ? -34.566 -0.332  -19.915 1.00 11.06 ? 185 ALA B O   1 
ATOM   1488 C CB  . ALA A 1 179 ? -34.242 1.625   -17.322 1.00 11.77 ? 185 ALA B CB  1 
ATOM   1489 N N   . PRO A 1 180 ? -33.123 1.334   -20.308 1.00 12.17 ? 186 PRO B N   1 
ATOM   1490 C CA  . PRO A 1 180 ? -32.353 0.538   -21.280 1.00 11.52 ? 186 PRO B CA  1 
ATOM   1491 C C   . PRO A 1 180 ? -31.440 -0.559  -20.676 1.00 10.75 ? 186 PRO B C   1 
ATOM   1492 O O   . PRO A 1 180 ? -31.082 -0.473  -19.539 1.00 12.07 ? 186 PRO B O   1 
ATOM   1493 C CB  . PRO A 1 180 ? -31.480 1.613   -21.960 1.00 13.44 ? 186 PRO B CB  1 
ATOM   1494 C CG  . PRO A 1 180 ? -31.244 2.600   -20.873 1.00 15.54 ? 186 PRO B CG  1 
ATOM   1495 C CD  . PRO A 1 180 ? -32.600 2.708   -20.190 1.00 14.07 ? 186 PRO B CD  1 
ATOM   1496 N N   . LEU A 1 181 ? -31.066 -1.491  -21.553 1.00 10.88 ? 187 LEU B N   1 
ATOM   1497 C CA  . LEU A 1 181 ? -29.818 -2.268  -21.368 1.00 10.63 ? 187 LEU B CA  1 
ATOM   1498 C C   . LEU A 1 181 ? -28.689 -1.483  -22.017 1.00 10.89 ? 187 LEU B C   1 
ATOM   1499 O O   . LEU A 1 181 ? -28.883 -0.987  -23.160 1.00 13.52 ? 187 LEU B O   1 
ATOM   1500 C CB  . LEU A 1 181 ? -29.976 -3.626  -22.018 1.00 10.68 ? 187 LEU B CB  1 
ATOM   1501 C CG  . LEU A 1 181 ? -30.987 -4.564  -21.375 1.00 11.13 ? 187 LEU B CG  1 
ATOM   1502 C CD1 . LEU A 1 181 ? -31.162 -5.841  -22.193 1.00 12.19 ? 187 LEU B CD1 1 
ATOM   1503 C CD2 . LEU A 1 181 ? -30.634 -4.936  -19.931 1.00 12.09 ? 187 LEU B CD2 1 
ATOM   1504 N N   . LYS A 1 182 ? -27.566 -1.364  -21.330 1.00 10.77 ? 188 LYS B N   1 
ATOM   1505 C CA  . LYS A 1 182 ? -26.417 -0.615  -21.880 1.00 11.92 ? 188 LYS B CA  1 
ATOM   1506 C C   . LYS A 1 182 ? -25.172 -1.503  -21.849 1.00 11.59 ? 188 LYS B C   1 
ATOM   1507 O O   . LYS A 1 182 ? -24.803 -2.031  -20.765 1.00 12.45 ? 188 LYS B O   1 
ATOM   1508 C CB  . LYS A 1 182 ? -26.137 0.678   -21.118 1.00 14.31 ? 188 LYS B CB  1 
ATOM   1509 C CG  . LYS A 1 182 ? -27.305 1.615   -20.975 1.00 17.21 ? 188 LYS B CG  1 
ATOM   1510 C CD  . LYS A 1 182 ? -26.879 2.951   -20.355 1.00 21.84 ? 188 LYS B CD  1 
ATOM   1511 C CE  . LYS A 1 182 ? -28.024 3.806   -19.864 1.00 25.54 ? 188 LYS B CE  1 
ATOM   1512 N NZ  . LYS A 1 182 ? -27.502 4.941   -19.060 1.00 30.82 ? 188 LYS B NZ  1 
ATOM   1513 N N   . LEU A 1 183 ? -24.427 -1.585  -22.925 1.00 11.34 ? 189 LEU B N   1 
ATOM   1514 C CA  . LEU A 1 183 ? -23.083 -2.226  -22.924 1.00 11.37 ? 189 LEU B CA  1 
ATOM   1515 C C   . LEU A 1 183 ? -22.097 -1.262  -22.282 1.00 13.62 ? 189 LEU B C   1 
ATOM   1516 O O   . LEU A 1 183 ? -21.969 -0.107  -22.779 1.00 16.48 ? 189 LEU B O   1 
ATOM   1517 C CB  . LEU A 1 183 ? -22.719 -2.615  -24.353 1.00 12.67 ? 189 LEU B CB  1 
ATOM   1518 C CG  . LEU A 1 183 ? -23.468 -3.863  -24.828 1.00 13.50 ? 189 LEU B CG  1 
ATOM   1519 C CD1 . LEU A 1 183 ? -23.662 -3.935  -26.349 1.00 16.78 ? 189 LEU B CD1 1 
ATOM   1520 C CD2 . LEU A 1 183 ? -22.813 -5.143  -24.262 1.00 11.99 ? 189 LEU B CD2 1 
ATOM   1521 N N   . CYS A 1 184 ? -21.469 -1.697  -21.218 1.00 14.82 ? 190 CYS B N   1 
ATOM   1522 C CA  . CYS A 1 184 ? -20.558 -0.849  -20.389 1.00 17.40 ? 190 CYS B CA  1 
ATOM   1523 C C   . CYS A 1 184 ? -19.176 -0.789  -21.001 1.00 19.14 ? 190 CYS B C   1 
ATOM   1524 O O   . CYS A 1 184 ? -18.674 -1.767  -21.535 1.00 20.86 ? 190 CYS B O   1 
ATOM   1525 C CB  . CYS A 1 184 ? -20.233 -1.480  -19.045 1.00 19.88 ? 190 CYS B CB  1 
ATOM   1526 S SG  . CYS A 1 184 ? -21.653 -2.033  -18.115 1.00 20.30 ? 190 CYS B SG  1 
ATOM   1527 N N   . PRO A 1 185 ? -18.497 0.371   -20.897 1.00 25.45 ? 191 PRO B N   1 
ATOM   1528 C CA  . PRO A 1 185 ? -17.171 0.534   -21.461 1.00 30.43 ? 191 PRO B CA  1 
ATOM   1529 C C   . PRO A 1 185 ? -16.215 -0.408  -20.726 1.00 28.70 ? 191 PRO B C   1 
ATOM   1530 O O   . PRO A 1 185 ? -16.420 -0.666  -19.531 1.00 31.89 ? 191 PRO B O   1 
ATOM   1531 C CB  . PRO A 1 185 ? -16.876 2.038   -21.253 1.00 28.62 ? 191 PRO B CB  1 
ATOM   1532 C CG  . PRO A 1 185 ? -17.748 2.439   -20.107 1.00 30.13 ? 191 PRO B CG  1 
ATOM   1533 C CD  . PRO A 1 185 ? -19.006 1.614   -20.288 1.00 26.98 ? 191 PRO B CD  1 
ATOM   1534 N N   . LEU A 1 186 ? -15.233 -0.890  -21.494 1.00 35.51 ? 192 LEU B N   1 
ATOM   1535 C CA  . LEU A 1 186 ? -13.962 -1.558  -21.101 1.00 37.40 ? 192 LEU B CA  1 
ATOM   1536 C C   . LEU A 1 186 ? -13.184 -0.689  -20.110 1.00 43.70 ? 192 LEU B C   1 
ATOM   1537 O O   . LEU A 1 186 ? -12.292 -1.225  -19.425 1.00 48.64 ? 192 LEU B O   1 
ATOM   1538 C CB  . LEU A 1 186 ? -13.141 -1.764  -22.379 1.00 37.54 ? 192 LEU B CB  1 
HETATM 1539 N N1  . TV9 B 2 .   ? -44.806 -3.138  -23.019 0.38 12.23 ? 201 TV9 B N1  1 
HETATM 1540 C C4  . TV9 B 2 .   ? -41.488 2.778   -23.093 0.38 13.52 ? 201 TV9 B C4  1 
HETATM 1541 C C5  . TV9 B 2 .   ? -40.965 1.443   -22.759 0.38 13.43 ? 201 TV9 B C5  1 
HETATM 1542 C C6  . TV9 B 2 .   ? -45.603 -1.097  -23.993 0.38 13.33 ? 201 TV9 B C6  1 
HETATM 1543 C C7  . TV9 B 2 .   ? -46.903 -1.482  -23.685 0.38 13.46 ? 201 TV9 B C7  1 
HETATM 1544 C C8  . TV9 B 2 .   ? -47.144 -2.661  -23.052 0.38 12.68 ? 201 TV9 B C8  1 
HETATM 1545 C C10 . TV9 B 2 .   ? -44.586 -1.956  -23.625 0.38 12.96 ? 201 TV9 B C10 1 
HETATM 1546 N N   . TV9 B 2 .   ? -43.962 0.658   -24.760 0.38 13.49 ? 201 TV9 B N   1 
HETATM 1547 C C   . TV9 B 2 .   ? -46.112 0.479   -25.961 0.38 14.67 ? 201 TV9 B C   1 
HETATM 1548 O O   . TV9 B 2 .   ? -43.840 1.096   -22.565 0.38 13.43 ? 201 TV9 B O   1 
HETATM 1549 C C1  . TV9 B 2 .   ? -45.339 0.200   -24.701 0.38 13.76 ? 201 TV9 B C1  1 
HETATM 1550 C C2  . TV9 B 2 .   ? -43.314 1.084   -23.674 0.38 13.25 ? 201 TV9 B C2  1 
HETATM 1551 C C3  . TV9 B 2 .   ? -41.943 1.585   -23.894 0.38 13.57 ? 201 TV9 B C3  1 
HETATM 1552 C C9  . TV9 B 2 .   ? -46.075 -3.455  -22.735 0.38 12.69 ? 201 TV9 B C9  1 
HETATM 1553 C C1  . EDO C 3 .   ? -50.350 -16.958 -33.343 1.00 35.30 ? 202 EDO B C1  1 
HETATM 1554 O O1  . EDO C 3 .   ? -49.104 -16.284 -33.282 1.00 27.97 ? 202 EDO B O1  1 
HETATM 1555 C C2  . EDO C 3 .   ? -50.980 -17.062 -32.021 1.00 35.00 ? 202 EDO B C2  1 
HETATM 1556 O O2  . EDO C 3 .   ? -51.206 -15.781 -31.479 1.00 44.08 ? 202 EDO B O2  1 
HETATM 1557 S S   . SO4 D 4 .   ? -40.465 -24.606 -26.305 1.00 34.74 ? 203 SO4 B S   1 
HETATM 1558 O O1  . SO4 D 4 .   ? -39.746 -23.640 -27.087 1.00 22.72 ? 203 SO4 B O1  1 
HETATM 1559 O O2  . SO4 D 4 .   ? -41.345 -25.343 -27.168 1.00 42.70 ? 203 SO4 B O2  1 
HETATM 1560 O O3  . SO4 D 4 .   ? -39.508 -25.525 -25.707 1.00 42.02 ? 203 SO4 B O3  1 
HETATM 1561 O O4  . SO4 D 4 .   ? -41.229 -23.966 -25.249 1.00 39.19 ? 203 SO4 B O4  1 
HETATM 1562 O O   . HOH E 5 .   ? -45.724 3.674   -34.170 1.00 22.98 ? 301 HOH B O   1 
HETATM 1563 O O   . HOH E 5 .   ? -33.741 4.991   -16.796 1.00 47.08 ? 302 HOH B O   1 
HETATM 1564 O O   . HOH E 5 .   ? -38.769 -15.355 -11.766 1.00 29.58 ? 303 HOH B O   1 
HETATM 1565 O O   . HOH E 5 .   ? -26.868 -28.491 -27.933 1.00 18.21 ? 304 HOH B O   1 
HETATM 1566 O O   . HOH E 5 .   ? -22.647 -1.774  -9.857  1.00 24.71 ? 305 HOH B O   1 
HETATM 1567 O O   . HOH E 5 .   ? -39.998 -1.095  -9.883  1.00 33.93 ? 306 HOH B O   1 
HETATM 1568 O O   . HOH E 5 .   ? -18.734 -21.959 -35.829 1.00 14.95 ? 307 HOH B O   1 
HETATM 1569 O O   . HOH E 5 .   ? -38.199 0.578   -12.068 1.00 30.29 ? 308 HOH B O   1 
HETATM 1570 O O   . HOH E 5 .   ? -26.287 3.350   -35.458 1.00 30.54 ? 309 HOH B O   1 
HETATM 1571 O O   . HOH E 5 .   ? -13.477 -23.570 -31.701 1.00 14.10 ? 310 HOH B O   1 
HETATM 1572 O O   . HOH E 5 .   ? -24.495 -30.996 -22.046 1.00 30.17 ? 311 HOH B O   1 
HETATM 1573 O O   . HOH E 5 .   ? -19.444 -29.647 -15.469 1.00 25.29 ? 312 HOH B O   1 
HETATM 1574 O O   . HOH E 5 .   ? -15.643 -5.464  -13.649 1.00 27.44 ? 313 HOH B O   1 
HETATM 1575 O O   . HOH E 5 .   ? -12.644 -21.270 -18.755 1.00 23.79 ? 314 HOH B O   1 
HETATM 1576 O O   . HOH E 5 .   ? -35.858 -22.522 -19.605 1.00 22.66 ? 315 HOH B O   1 
HETATM 1577 O O   . HOH E 5 .   ? -45.479 0.068   -11.792 1.00 25.06 ? 316 HOH B O   1 
HETATM 1578 O O   . HOH E 5 .   ? -42.248 -11.497 -38.912 1.00 22.63 ? 317 HOH B O   1 
HETATM 1579 O O   . HOH E 5 .   ? -21.332 -6.035  -2.122  1.00 41.57 ? 318 HOH B O   1 
HETATM 1580 O O   . HOH E 5 .   ? -41.025 -8.025  -3.543  1.00 49.89 ? 319 HOH B O   1 
HETATM 1581 O O   . HOH E 5 .   ? -30.839 -6.669  -11.421 1.00 13.52 ? 320 HOH B O   1 
HETATM 1582 O O   . HOH E 5 .   ? -37.980 2.789   -22.894 1.00 20.11 ? 321 HOH B O   1 
HETATM 1583 O O   . HOH E 5 .   ? -36.950 -16.469 -39.396 1.00 23.81 ? 322 HOH B O   1 
HETATM 1584 O O   . HOH E 5 .   ? -26.011 -22.669 -35.960 1.00 23.20 ? 323 HOH B O   1 
HETATM 1585 O O   . HOH E 5 .   ? -16.150 -19.597 -15.760 1.00 23.83 ? 324 HOH B O   1 
HETATM 1586 O O   . HOH E 5 .   ? -36.742 -26.056 -23.729 1.00 33.07 ? 325 HOH B O   1 
HETATM 1587 O O   . HOH E 5 .   ? -26.493 -25.728 -16.389 1.00 15.18 ? 326 HOH B O   1 
HETATM 1588 O O   . HOH E 5 .   ? -35.772 -19.379 -30.545 1.00 25.97 ? 327 HOH B O   1 
HETATM 1589 O O   . HOH E 5 .   ? -45.175 -12.264 -26.494 1.00 31.55 ? 328 HOH B O   1 
HETATM 1590 O O   . HOH E 5 .   ? -47.130 -17.083 -31.607 1.00 19.21 ? 329 HOH B O   1 
HETATM 1591 O O   . HOH E 5 .   ? -38.583 -7.669  -10.864 1.00 14.87 ? 330 HOH B O   1 
HETATM 1592 O O   . HOH E 5 .   ? -17.543 -21.272 -12.480 1.00 15.83 ? 331 HOH B O   1 
HETATM 1593 O O   . HOH E 5 .   ? -18.536 -4.659  -24.830 1.00 15.80 ? 332 HOH B O   1 
HETATM 1594 O O   . HOH E 5 .   ? -33.861 -21.894 -36.617 1.00 33.08 ? 333 HOH B O   1 
HETATM 1595 O O   . HOH E 5 .   ? -30.840 -20.363 -21.384 1.00 10.37 ? 334 HOH B O   1 
HETATM 1596 O O   . HOH E 5 .   ? -38.523 3.761   -42.465 1.00 28.67 ? 335 HOH B O   1 
HETATM 1597 O O   . HOH E 5 .   ? -37.299 -25.503 -11.346 1.00 39.10 ? 336 HOH B O   1 
HETATM 1598 O O   . HOH E 5 .   ? -19.381 -4.335  -22.167 1.00 13.88 ? 337 HOH B O   1 
HETATM 1599 O O   . HOH E 5 .   ? -23.955 1.260   -10.894 1.00 33.59 ? 338 HOH B O   1 
HETATM 1600 O O   . HOH E 5 .   ? -9.511  -18.664 -30.208 1.00 45.12 ? 339 HOH B O   1 
HETATM 1601 O O   . HOH E 5 .   ? -38.802 -2.471  -21.479 1.00 15.32 ? 340 HOH B O   1 
HETATM 1602 O O   . HOH E 5 .   ? -16.785 -5.512  -9.408  1.00 28.81 ? 341 HOH B O   1 
HETATM 1603 O O   . HOH E 5 .   ? -17.587 -27.615 -19.682 1.00 16.69 ? 342 HOH B O   1 
HETATM 1604 O O   . HOH E 5 .   ? -42.602 -5.818  -12.506 1.00 19.35 ? 343 HOH B O   1 
HETATM 1605 O O   . HOH E 5 .   ? -36.549 -23.151 -30.777 1.00 32.04 ? 344 HOH B O   1 
HETATM 1606 O O   . HOH E 5 .   ? -34.099 -22.084 -31.434 1.00 17.17 ? 345 HOH B O   1 
HETATM 1607 O O   . HOH E 5 .   ? -46.736 -14.791 -10.867 1.00 18.47 ? 346 HOH B O   1 
HETATM 1608 O O   . HOH E 5 .   ? -43.024 -15.405 -10.298 1.00 19.33 ? 347 HOH B O   1 
HETATM 1609 O O   . HOH E 5 .   ? -32.881 -18.151 -37.304 1.00 28.50 ? 348 HOH B O   1 
HETATM 1610 O O   . HOH E 5 .   ? -30.216 -23.934 -34.180 1.00 18.21 ? 349 HOH B O   1 
HETATM 1611 O O   . HOH E 5 .   ? -40.319 -14.416 -31.416 1.00 13.11 ? 350 HOH B O   1 
HETATM 1612 O O   . HOH E 5 .   ? -27.155 -20.255 -6.999  1.00 15.64 ? 351 HOH B O   1 
HETATM 1613 O O   . HOH E 5 .   ? -10.904 -21.226 -25.272 1.00 27.85 ? 352 HOH B O   1 
HETATM 1614 O O   . HOH E 5 .   ? -9.043  -13.484 -25.411 1.00 29.66 ? 353 HOH B O   1 
HETATM 1615 O O   . HOH E 5 .   ? -23.406 4.358   -24.823 1.00 24.21 ? 354 HOH B O   1 
HETATM 1616 O O   . HOH E 5 .   ? -37.997 -14.513 -21.419 1.00 31.61 ? 355 HOH B O   1 
HETATM 1617 O O   . HOH E 5 .   ? -19.171 -29.213 -23.543 1.00 20.48 ? 356 HOH B O   1 
HETATM 1618 O O   . HOH E 5 .   ? -45.847 -14.684 -27.495 1.00 33.51 ? 357 HOH B O   1 
HETATM 1619 O O   . HOH E 5 .   ? -47.698 0.000   -32.849 0.50 27.83 ? 358 HOH B O   1 
HETATM 1620 O O   . HOH E 5 .   ? -28.361 -21.559 -8.990  1.00 15.53 ? 359 HOH B O   1 
HETATM 1621 O O   . HOH E 5 .   ? -26.579 2.005   -11.136 1.00 24.62 ? 360 HOH B O   1 
HETATM 1622 O O   . HOH E 5 .   ? -19.835 1.738   -30.686 1.00 31.04 ? 361 HOH B O   1 
HETATM 1623 O O   . HOH E 5 .   ? -23.349 2.291   -23.186 1.00 27.24 ? 362 HOH B O   1 
HETATM 1624 O O   . HOH E 5 .   ? -36.299 -1.950  -33.951 1.00 17.72 ? 363 HOH B O   1 
HETATM 1625 O O   . HOH E 5 .   ? -10.222 -23.475 -21.829 1.00 25.96 ? 364 HOH B O   1 
HETATM 1626 O O   . HOH E 5 .   ? -17.997 -4.336  -6.091  1.00 39.55 ? 365 HOH B O   1 
HETATM 1627 O O   . HOH E 5 .   ? -20.949 -16.416 -5.589  1.00 14.49 ? 366 HOH B O   1 
HETATM 1628 O O   . HOH E 5 .   ? -45.892 -4.443  -34.034 1.00 23.02 ? 367 HOH B O   1 
HETATM 1629 O O   . HOH E 5 .   ? -40.987 -9.579  -36.812 1.00 25.32 ? 368 HOH B O   1 
HETATM 1630 O O   . HOH E 5 .   ? -26.742 -17.606 -7.784  1.00 15.14 ? 369 HOH B O   1 
HETATM 1631 O O   . HOH E 5 .   ? -17.914 -19.862 -37.623 1.00 24.16 ? 370 HOH B O   1 
HETATM 1632 O O   . HOH E 5 .   ? -12.852 -18.382 -34.870 1.00 32.18 ? 371 HOH B O   1 
HETATM 1633 O O   . HOH E 5 .   ? -30.787 1.147   -17.248 1.00 21.88 ? 372 HOH B O   1 
HETATM 1634 O O   . HOH E 5 .   ? -32.312 -4.971  -13.041 1.00 11.46 ? 373 HOH B O   1 
HETATM 1635 O O   . HOH E 5 .   ? -25.866 -14.138 -3.020  1.00 27.71 ? 374 HOH B O   1 
HETATM 1636 O O   . HOH E 5 .   ? -40.819 -14.586 -8.737  1.00 26.36 ? 375 HOH B O   1 
HETATM 1637 O O   . HOH E 5 .   ? -9.370  -20.811 -29.040 1.00 34.53 ? 376 HOH B O   1 
HETATM 1638 O O   . HOH E 5 .   ? -49.807 -2.801  -19.340 1.00 27.11 ? 377 HOH B O   1 
HETATM 1639 O O   . HOH E 5 .   ? -35.564 -4.803  -42.291 1.00 21.97 ? 378 HOH B O   1 
HETATM 1640 O O   . HOH E 5 .   ? -35.999 -3.853  -10.150 1.00 40.79 ? 379 HOH B O   1 
HETATM 1641 O O   . HOH E 5 .   ? -15.055 -19.775 -37.572 1.00 22.32 ? 380 HOH B O   1 
HETATM 1642 O O   . HOH E 5 .   ? -45.737 -19.671 -31.691 1.00 20.30 ? 381 HOH B O   1 
HETATM 1643 O O   . HOH E 5 .   ? -41.244 -6.196  -37.997 1.00 30.12 ? 382 HOH B O   1 
HETATM 1644 O O   . HOH E 5 .   ? -25.085 -10.994 -4.254  1.00 22.07 ? 383 HOH B O   1 
HETATM 1645 O O   . HOH E 5 .   ? -36.997 0.838   -15.672 1.00 16.67 ? 384 HOH B O   1 
HETATM 1646 O O   . HOH E 5 .   ? -24.084 -12.324 -6.602  1.00 16.24 ? 385 HOH B O   1 
HETATM 1647 O O   . HOH E 5 .   ? -45.014 -7.794  -39.144 1.00 15.65 ? 386 HOH B O   1 
HETATM 1648 O O   . HOH E 5 .   ? -15.985 -11.876 -5.630  1.00 42.66 ? 387 HOH B O   1 
HETATM 1649 O O   . HOH E 5 .   ? -23.845 -21.140 -38.801 1.00 20.31 ? 388 HOH B O   1 
HETATM 1650 O O   . HOH E 5 .   ? -27.812 -27.631 -25.818 1.00 30.44 ? 389 HOH B O   1 
HETATM 1651 O O   . HOH E 5 .   ? -31.479 3.296   -27.115 1.00 21.11 ? 390 HOH B O   1 
HETATM 1652 O O   . HOH E 5 .   ? -42.183 -4.090  -39.444 1.00 18.69 ? 391 HOH B O   1 
HETATM 1653 O O   . HOH E 5 .   ? -25.336 -10.507 -23.670 1.00 11.44 ? 392 HOH B O   1 
HETATM 1654 O O   . HOH E 5 .   ? -30.995 4.018   -24.516 1.00 20.29 ? 393 HOH B O   1 
HETATM 1655 O O   . HOH E 5 .   ? -36.441 -0.512  -42.342 1.00 34.05 ? 394 HOH B O   1 
HETATM 1656 O O   . HOH E 5 .   ? -13.360 -20.979 -35.161 1.00 27.12 ? 395 HOH B O   1 
HETATM 1657 O O   . HOH E 5 .   ? -14.500 -16.517 -33.103 1.00 26.88 ? 396 HOH B O   1 
HETATM 1658 O O   . HOH E 5 .   ? -25.655 -27.064 -23.837 1.00 15.81 ? 397 HOH B O   1 
HETATM 1659 O O   . HOH E 5 .   ? -33.494 -1.935  -38.541 1.00 22.76 ? 398 HOH B O   1 
HETATM 1660 O O   . HOH E 5 .   ? -18.390 -17.379 -36.545 1.00 24.29 ? 399 HOH B O   1 
HETATM 1661 O O   . HOH E 5 .   ? -41.437 -8.550  -13.480 1.00 21.24 ? 400 HOH B O   1 
HETATM 1662 O O   . HOH E 5 .   ? -33.428 -14.955 -7.076  1.00 18.67 ? 401 HOH B O   1 
HETATM 1663 O O   . HOH E 5 .   ? -28.985 7.642   -30.372 1.00 29.42 ? 402 HOH B O   1 
HETATM 1664 O O   . HOH E 5 .   ? -18.199 -16.044 -6.178  1.00 19.30 ? 403 HOH B O   1 
HETATM 1665 O O   . HOH E 5 .   ? -40.698 6.262   -33.371 1.00 26.83 ? 404 HOH B O   1 
HETATM 1666 O O   . HOH E 5 .   ? -42.439 -5.189  -43.763 1.00 19.05 ? 405 HOH B O   1 
HETATM 1667 O O   . HOH E 5 .   ? -24.886 -14.978 -6.924  1.00 13.62 ? 406 HOH B O   1 
HETATM 1668 O O   . HOH E 5 .   ? -9.368  -15.913 -26.633 1.00 24.08 ? 407 HOH B O   1 
HETATM 1669 O O   . HOH E 5 .   ? -13.251 -6.243  -29.255 1.00 27.54 ? 408 HOH B O   1 
HETATM 1670 O O   . HOH E 5 .   ? -34.295 -7.139  -8.054  1.00 26.50 ? 409 HOH B O   1 
HETATM 1671 O O   . HOH E 5 .   ? -40.012 -11.478 -22.831 1.00 30.32 ? 410 HOH B O   1 
HETATM 1672 O O   . HOH E 5 .   ? -17.953 -11.203 -35.709 1.00 24.36 ? 411 HOH B O   1 
HETATM 1673 O O   . HOH E 5 .   ? -29.644 -12.581 -37.834 1.00 21.14 ? 412 HOH B O   1 
HETATM 1674 O O   . HOH E 5 .   ? -52.338 -14.055 -29.269 1.00 42.88 ? 413 HOH B O   1 
HETATM 1675 O O   . HOH E 5 .   ? -16.141 -14.730 -8.687  1.00 27.39 ? 414 HOH B O   1 
HETATM 1676 O O   . HOH E 5 .   ? -40.444 -7.520  -34.954 1.00 21.99 ? 415 HOH B O   1 
HETATM 1677 O O   . HOH E 5 .   ? -43.105 3.728   -18.695 1.00 16.95 ? 416 HOH B O   1 
HETATM 1678 O O   . HOH E 5 .   ? -36.553 -1.002  -22.215 1.00 15.20 ? 417 HOH B O   1 
HETATM 1679 O O   . HOH E 5 .   ? -41.136 -8.807  -19.469 1.00 14.46 ? 418 HOH B O   1 
HETATM 1680 O O   . HOH E 5 .   ? -25.339 6.898   -29.088 1.00 27.91 ? 419 HOH B O   1 
HETATM 1681 O O   . HOH E 5 .   ? -34.701 -8.975  -6.156  1.00 42.63 ? 420 HOH B O   1 
HETATM 1682 O O   . HOH E 5 .   ? -20.024 2.331   -24.100 1.00 36.83 ? 421 HOH B O   1 
HETATM 1683 O O   . HOH E 5 .   ? -50.524 -7.440  -24.704 1.00 40.80 ? 422 HOH B O   1 
HETATM 1684 O O   . HOH E 5 .   ? -30.867 -17.369 -42.870 1.00 32.79 ? 423 HOH B O   1 
HETATM 1685 O O   . HOH E 5 .   ? -16.096 -7.468  -11.385 1.00 26.00 ? 424 HOH B O   1 
HETATM 1686 O O   . HOH E 5 .   ? -43.970 -9.306  -36.717 1.00 33.84 ? 425 HOH B O   1 
HETATM 1687 O O   . HOH E 5 .   ? -32.859 -23.639 -33.549 1.00 30.92 ? 426 HOH B O   1 
HETATM 1688 O O   . HOH E 5 .   ? -8.398  -23.134 -30.263 1.00 29.41 ? 427 HOH B O   1 
HETATM 1689 O O   . HOH E 5 .   ? -36.749 -6.616  -9.047  1.00 30.30 ? 428 HOH B O   1 
HETATM 1690 O O   . HOH E 5 .   ? -21.840 6.949   -32.350 1.00 27.22 ? 429 HOH B O   1 
HETATM 1691 O O   . HOH E 5 .   ? -26.344 -28.340 -21.533 1.00 32.55 ? 430 HOH B O   1 
HETATM 1692 O O   . HOH E 5 .   ? -36.679 2.053   -43.055 1.00 43.38 ? 431 HOH B O   1 
HETATM 1693 O O   . HOH E 5 .   ? -41.581 -9.805  -43.834 1.00 33.40 ? 432 HOH B O   1 
HETATM 1694 O O   . HOH E 5 .   ? -24.496 -4.509  -37.010 1.00 34.02 ? 433 HOH B O   1 
HETATM 1695 O O   . HOH E 5 .   ? -39.755 5.222   -21.995 1.00 25.95 ? 434 HOH B O   1 
HETATM 1696 O O   . HOH E 5 .   ? -22.943 3.439   -20.778 1.00 34.41 ? 435 HOH B O   1 
HETATM 1697 O O   . HOH E 5 .   ? -15.945 -22.209 -14.542 1.00 26.23 ? 436 HOH B O   1 
HETATM 1698 O O   . HOH E 5 .   ? -28.324 -27.678 -16.880 1.00 20.56 ? 437 HOH B O   1 
HETATM 1699 O O   . HOH E 5 .   ? -38.952 -16.837 -40.933 1.00 33.19 ? 438 HOH B O   1 
HETATM 1700 O O   . HOH E 5 .   ? -26.299 -31.106 -24.005 1.00 25.20 ? 439 HOH B O   1 
HETATM 1701 O O   . HOH E 5 .   ? -16.043 -26.835 -17.259 1.00 27.90 ? 440 HOH B O   1 
HETATM 1702 O O   . HOH E 5 .   ? -42.233 -12.968 -22.438 1.00 30.18 ? 441 HOH B O   1 
# 
