data_7HNJ
# 
_entry.id   7HNJ 
# 
_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   7HNJ         pdb_00007hnj 10.2210/pdb7hnj/pdb 
WWPDB D_1001407697 ?            ?                   
# 
_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                        7HNJ 
_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           N 
_pdbx_database_status.methods_development_category    ? 
# 
_pdbx_contact_author.id                 1 
_pdbx_contact_author.email              knapp@pharmchem.uni-frankfurt.de 
_pdbx_contact_author.name_first         Stefan 
_pdbx_contact_author.name_last          Knapp 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-5995-6494 
_pdbx_contact_author.name_mi            ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Kim, Y.'                              1 
'Marples, P.'                          2 
'Fearon, D.'                           3 
'von Delft, F.'                        4 
'Knapp, S.'                            5 
'Kraemer, A.'                          6 
'Structural Genomics Consortium (SGC)' 7 
# 
_citation.id                        primary 
_citation.title                     'PanDDA analysis group deposition' 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_volume            ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.year                      ? 
_citation.journal_id_ASTM           ? 
_citation.country                   ? 
_citation.journal_id_ISSN           ? 
_citation.journal_id_CSD            0353 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_DOI      ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.identifier_ORCID 
_citation_author.ordinal 
primary 'Kim, Y.'                              ? 1 
primary 'Marples, P.'                          ? 2 
primary 'Fearon, D.'                           ? 3 
primary 'von Delft, F.'                        ? 4 
primary 'Knapp, S.'                            ? 5 
primary 'Kraemer, A.'                          ? 6 
primary 'Structural Genomics Consortium (SGC)' ? 7 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'E3 ubiquitin-protein ligase TRIM21'                        21596.361 1   2.3.2.27 ? ? ? 
2 non-polymer syn '1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2(1H)-one' 205.213   1   ?        ? ? ? 
3 non-polymer syn 1,2-ETHANEDIOL                                              62.068    1   ?        ? ? ? 
4 non-polymer syn 'SULFATE ION'                                               96.063    1   ?        ? ? ? 
5 non-polymer syn '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID'       238.305   1   ?        ? ? ? 
6 water       nat water                                                       18.015    139 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;52 kDa Ro protein,52 kDa ribonucleoprotein autoantigen Ro/SS-A,Ro(SS-A),Sjoegren syndrome type A antigen,SS-A,Tripartite motif-containing protein 21
;
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_strand_id                 B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 '1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2(1H)-one' A1AP3 
3 1,2-ETHANEDIOL                                              EDO   
4 'SULFATE ION'                                               SO4   
5 '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID'       EPE   
6 water                                                       HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   HIS n 
1 3   HIS n 
1 4   HIS n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   MET n 
1 9   VAL n 
1 10  HIS n 
1 11  ILE n 
1 12  THR n 
1 13  LEU n 
1 14  ASP n 
1 15  ARG n 
1 16  ASN n 
1 17  THR n 
1 18  ALA n 
1 19  ASN n 
1 20  SER n 
1 21  TRP n 
1 22  LEU n 
1 23  ILE n 
1 24  ILE n 
1 25  SER n 
1 26  LYS n 
1 27  ASP n 
1 28  ARG n 
1 29  ARG n 
1 30  GLN n 
1 31  VAL n 
1 32  ARG n 
1 33  MET n 
1 34  GLY n 
1 35  ASP n 
1 36  THR n 
1 37  HIS n 
1 38  GLN n 
1 39  ASN n 
1 40  VAL n 
1 41  SER n 
1 42  ASP n 
1 43  ASN n 
1 44  LYS n 
1 45  GLU n 
1 46  ARG n 
1 47  PHE n 
1 48  SER n 
1 49  ASN n 
1 50  TYR n 
1 51  PRO n 
1 52  MET n 
1 53  VAL n 
1 54  LEU n 
1 55  GLY n 
1 56  ALA n 
1 57  GLN n 
1 58  ARG n 
1 59  PHE n 
1 60  SER n 
1 61  SER n 
1 62  GLY n 
1 63  LYS n 
1 64  MET n 
1 65  TYR n 
1 66  TRP n 
1 67  GLU n 
1 68  VAL n 
1 69  ASP n 
1 70  VAL n 
1 71  THR n 
1 72  GLN n 
1 73  LYS n 
1 74  GLU n 
1 75  ALA n 
1 76  TRP n 
1 77  ASP n 
1 78  LEU n 
1 79  GLY n 
1 80  VAL n 
1 81  CYS n 
1 82  ARG n 
1 83  ASP n 
1 84  SER n 
1 85  VAL n 
1 86  GLN n 
1 87  ARG n 
1 88  LYS n 
1 89  GLY n 
1 90  GLN n 
1 91  PHE n 
1 92  SER n 
1 93  LEU n 
1 94  SER n 
1 95  PRO n 
1 96  GLU n 
1 97  ASN n 
1 98  GLY n 
1 99  PHE n 
1 100 TRP n 
1 101 THR n 
1 102 ILE n 
1 103 TRP n 
1 104 LEU n 
1 105 TRP n 
1 106 GLN n 
1 107 ASP n 
1 108 SER n 
1 109 TYR n 
1 110 GLU n 
1 111 ALA n 
1 112 GLY n 
1 113 THR n 
1 114 SER n 
1 115 PRO n 
1 116 GLN n 
1 117 THR n 
1 118 THR n 
1 119 LEU n 
1 120 HIS n 
1 121 ILE n 
1 122 GLN n 
1 123 VAL n 
1 124 PRO n 
1 125 PRO n 
1 126 CYS n 
1 127 GLN n 
1 128 ILE n 
1 129 GLY n 
1 130 ILE n 
1 131 PHE n 
1 132 VAL n 
1 133 ASP n 
1 134 TYR n 
1 135 GLU n 
1 136 ALA n 
1 137 GLY n 
1 138 VAL n 
1 139 VAL n 
1 140 SER n 
1 141 PHE n 
1 142 TYR n 
1 143 ASN n 
1 144 ILE n 
1 145 THR n 
1 146 ASP n 
1 147 HIS n 
1 148 GLY n 
1 149 SER n 
1 150 LEU n 
1 151 ILE n 
1 152 TYR n 
1 153 THR n 
1 154 PHE n 
1 155 SER n 
1 156 GLU n 
1 157 CYS n 
1 158 VAL n 
1 159 PHE n 
1 160 ALA n 
1 161 GLY n 
1 162 PRO n 
1 163 LEU n 
1 164 ARG n 
1 165 PRO n 
1 166 PHE n 
1 167 PHE n 
1 168 ASN n 
1 169 VAL n 
1 170 GLY n 
1 171 PHE n 
1 172 ASN n 
1 173 TYR n 
1 174 SER n 
1 175 GLY n 
1 176 GLY n 
1 177 ASN n 
1 178 ALA n 
1 179 ALA n 
1 180 PRO n 
1 181 LEU n 
1 182 LYS n 
1 183 LEU n 
1 184 CYS n 
1 185 PRO n 
1 186 LEU n 
1 187 LYS n 
1 188 MET n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   188 
_entity_src_gen.gene_src_common_name               'house mouse' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'Trim21, Ro52, Ssa1' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Mus musculus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     10090 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
A1AP3 non-polymer         . '1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2(1H)-one' ?                 'C10 H11 N3 O2'  205.213 
ALA   'L-peptide linking' y ALANINE                                                     ?                 'C3 H7 N O2'     89.093  
ARG   'L-peptide linking' y ARGININE                                                    ?                 'C6 H15 N4 O2 1' 175.209 
ASN   'L-peptide linking' y ASPARAGINE                                                  ?                 'C4 H8 N2 O3'    132.118 
ASP   'L-peptide linking' y 'ASPARTIC ACID'                                             ?                 'C4 H7 N O4'     133.103 
CYS   'L-peptide linking' y CYSTEINE                                                    ?                 'C3 H7 N O2 S'   121.158 
EDO   non-polymer         . 1,2-ETHANEDIOL                                              'ETHYLENE GLYCOL' 'C2 H6 O2'       62.068  
EPE   non-polymer         . '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID'       HEPES             'C8 H18 N2 O4 S' 238.305 
GLN   'L-peptide linking' y GLUTAMINE                                                   ?                 'C5 H10 N2 O3'   146.144 
GLU   'L-peptide linking' y 'GLUTAMIC ACID'                                             ?                 'C5 H9 N O4'     147.129 
GLY   'peptide linking'   y GLYCINE                                                     ?                 'C2 H5 N O2'     75.067  
HIS   'L-peptide linking' y HISTIDINE                                                   ?                 'C6 H10 N3 O2 1' 156.162 
HOH   non-polymer         . WATER                                                       ?                 'H2 O'           18.015  
ILE   'L-peptide linking' y ISOLEUCINE                                                  ?                 'C6 H13 N O2'    131.173 
LEU   'L-peptide linking' y LEUCINE                                                     ?                 'C6 H13 N O2'    131.173 
LYS   'L-peptide linking' y LYSINE                                                      ?                 'C6 H15 N2 O2 1' 147.195 
MET   'L-peptide linking' y METHIONINE                                                  ?                 'C5 H11 N O2 S'  149.211 
PHE   'L-peptide linking' y PHENYLALANINE                                               ?                 'C9 H11 N O2'    165.189 
PRO   'L-peptide linking' y PROLINE                                                     ?                 'C5 H9 N O2'     115.130 
SER   'L-peptide linking' y SERINE                                                      ?                 'C3 H7 N O3'     105.093 
SO4   non-polymer         . 'SULFATE ION'                                               ?                 'O4 S -2'        96.063  
THR   'L-peptide linking' y THREONINE                                                   ?                 'C4 H9 N O3'     119.119 
TRP   'L-peptide linking' y TRYPTOPHAN                                                  ?                 'C11 H12 N2 O2'  204.225 
TYR   'L-peptide linking' y TYROSINE                                                    ?                 'C9 H11 N O3'    181.189 
VAL   'L-peptide linking' y VALINE                                                      ?                 'C5 H11 N O2'    117.146 
# 
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        A1AP3 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1AP3 
_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 A1AP3 1   201 201 A1AP3 LIG B . 
C 3 EDO   1   202 305 EDO   EDO B . 
D 4 SO4   1   203 1   SO4   SO4 B . 
E 5 EPE   1   204 202 EPE   EPE B . 
F 6 HOH   1   301 107 HOH   HOH B . 
F 6 HOH   2   302 11  HOH   HOH B . 
F 6 HOH   3   303 33  HOH   HOH B . 
F 6 HOH   4   304 29  HOH   HOH B . 
F 6 HOH   5   305 99  HOH   HOH B . 
F 6 HOH   6   306 9   HOH   HOH B . 
F 6 HOH   7   307 12  HOH   HOH B . 
F 6 HOH   8   308 85  HOH   HOH B . 
F 6 HOH   9   309 184 HOH   HOH B . 
F 6 HOH   10  310 26  HOH   HOH B . 
F 6 HOH   11  311 120 HOH   HOH B . 
F 6 HOH   12  312 51  HOH   HOH B . 
F 6 HOH   13  313 27  HOH   HOH B . 
F 6 HOH   14  314 40  HOH   HOH B . 
F 6 HOH   15  315 16  HOH   HOH B . 
F 6 HOH   16  316 214 HOH   HOH B . 
F 6 HOH   17  317 21  HOH   HOH B . 
F 6 HOH   18  318 1   HOH   HOH B . 
F 6 HOH   19  319 90  HOH   HOH B . 
F 6 HOH   20  320 63  HOH   HOH B . 
F 6 HOH   21  321 11  HOH   HOH B . 
F 6 HOH   22  322 70  HOH   HOH B . 
F 6 HOH   23  323 211 HOH   HOH B . 
F 6 HOH   24  324 172 HOH   HOH B . 
F 6 HOH   25  325 66  HOH   HOH B . 
F 6 HOH   26  326 5   HOH   HOH B . 
F 6 HOH   27  327 102 HOH   HOH B . 
F 6 HOH   28  328 29  HOH   HOH B . 
F 6 HOH   29  329 36  HOH   HOH B . 
F 6 HOH   30  330 4   HOH   HOH B . 
F 6 HOH   31  331 34  HOH   HOH B . 
F 6 HOH   32  332 39  HOH   HOH B . 
F 6 HOH   33  333 93  HOH   HOH B . 
F 6 HOH   34  334 10  HOH   HOH B . 
F 6 HOH   35  335 19  HOH   HOH B . 
F 6 HOH   36  336 27  HOH   HOH B . 
F 6 HOH   37  337 2   HOH   HOH B . 
F 6 HOH   38  338 58  HOH   HOH B . 
F 6 HOH   39  339 68  HOH   HOH B . 
F 6 HOH   40  340 31  HOH   HOH B . 
F 6 HOH   41  341 7   HOH   HOH B . 
F 6 HOH   42  342 80  HOH   HOH B . 
F 6 HOH   43  343 100 HOH   HOH B . 
F 6 HOH   44  344 62  HOH   HOH B . 
F 6 HOH   45  345 10  HOH   HOH B . 
F 6 HOH   46  346 20  HOH   HOH B . 
F 6 HOH   47  347 16  HOH   HOH B . 
F 6 HOH   48  348 267 HOH   HOH B . 
F 6 HOH   49  349 81  HOH   HOH B . 
F 6 HOH   50  350 15  HOH   HOH B . 
F 6 HOH   51  351 25  HOH   HOH B . 
F 6 HOH   52  352 157 HOH   HOH B . 
F 6 HOH   53  353 22  HOH   HOH B . 
F 6 HOH   54  354 18  HOH   HOH B . 
F 6 HOH   55  355 55  HOH   HOH B . 
F 6 HOH   56  356 73  HOH   HOH B . 
F 6 HOH   57  357 72  HOH   HOH B . 
F 6 HOH   58  358 64  HOH   HOH B . 
F 6 HOH   59  359 6   HOH   HOH B . 
F 6 HOH   60  360 61  HOH   HOH B . 
F 6 HOH   61  361 47  HOH   HOH B . 
F 6 HOH   62  362 71  HOH   HOH B . 
F 6 HOH   63  363 50  HOH   HOH B . 
F 6 HOH   64  364 76  HOH   HOH B . 
F 6 HOH   65  365 26  HOH   HOH B . 
F 6 HOH   66  366 4   HOH   HOH B . 
F 6 HOH   67  367 3   HOH   HOH B . 
F 6 HOH   68  368 89  HOH   HOH B . 
F 6 HOH   69  369 1   HOH   HOH B . 
F 6 HOH   70  370 60  HOH   HOH B . 
F 6 HOH   71  371 14  HOH   HOH B . 
F 6 HOH   72  372 59  HOH   HOH B . 
F 6 HOH   73  373 125 HOH   HOH B . 
F 6 HOH   74  374 137 HOH   HOH B . 
F 6 HOH   75  375 304 HOH   HOH B . 
F 6 HOH   76  376 86  HOH   HOH B . 
F 6 HOH   77  377 3   HOH   HOH B . 
F 6 HOH   78  378 43  HOH   HOH B . 
F 6 HOH   79  379 48  HOH   HOH B . 
F 6 HOH   80  380 126 HOH   HOH B . 
F 6 HOH   81  381 263 HOH   HOH B . 
F 6 HOH   82  382 8   HOH   HOH B . 
F 6 HOH   83  383 46  HOH   HOH B . 
F 6 HOH   84  384 112 HOH   HOH B . 
F 6 HOH   85  385 25  HOH   HOH B . 
F 6 HOH   86  386 97  HOH   HOH B . 
F 6 HOH   87  387 281 HOH   HOH B . 
F 6 HOH   88  388 23  HOH   HOH B . 
F 6 HOH   89  389 12  HOH   HOH B . 
F 6 HOH   90  390 42  HOH   HOH B . 
F 6 HOH   91  391 17  HOH   HOH B . 
F 6 HOH   92  392 303 HOH   HOH B . 
F 6 HOH   93  393 49  HOH   HOH B . 
F 6 HOH   94  394 30  HOH   HOH B . 
F 6 HOH   95  395 24  HOH   HOH B . 
F 6 HOH   96  396 32  HOH   HOH B . 
F 6 HOH   97  397 22  HOH   HOH B . 
F 6 HOH   98  398 5   HOH   HOH B . 
F 6 HOH   99  399 13  HOH   HOH B . 
F 6 HOH   100 400 56  HOH   HOH B . 
F 6 HOH   101 401 7   HOH   HOH B . 
F 6 HOH   102 402 54  HOH   HOH B . 
F 6 HOH   103 403 45  HOH   HOH B . 
F 6 HOH   104 404 38  HOH   HOH B . 
F 6 HOH   105 405 33  HOH   HOH B . 
F 6 HOH   106 406 18  HOH   HOH B . 
F 6 HOH   107 407 41  HOH   HOH B . 
F 6 HOH   108 408 8   HOH   HOH B . 
F 6 HOH   109 409 32  HOH   HOH B . 
F 6 HOH   110 410 57  HOH   HOH B . 
F 6 HOH   111 411 20  HOH   HOH B . 
F 6 HOH   112 412 15  HOH   HOH B . 
F 6 HOH   113 413 140 HOH   HOH B . 
F 6 HOH   114 414 53  HOH   HOH B . 
F 6 HOH   115 415 257 HOH   HOH B . 
F 6 HOH   116 416 264 HOH   HOH B . 
F 6 HOH   117 417 69  HOH   HOH B . 
F 6 HOH   118 418 197 HOH   HOH B . 
F 6 HOH   119 419 19  HOH   HOH B . 
F 6 HOH   120 420 154 HOH   HOH B . 
F 6 HOH   121 421 44  HOH   HOH B . 
F 6 HOH   122 422 103 HOH   HOH B . 
F 6 HOH   123 423 266 HOH   HOH B . 
F 6 HOH   124 424 133 HOH   HOH B . 
F 6 HOH   125 425 115 HOH   HOH B . 
F 6 HOH   126 426 114 HOH   HOH B . 
F 6 HOH   127 427 30  HOH   HOH B . 
F 6 HOH   128 428 13  HOH   HOH B . 
F 6 HOH   129 429 21  HOH   HOH B . 
F 6 HOH   130 430 23  HOH   HOH B . 
F 6 HOH   131 431 98  HOH   HOH B . 
F 6 HOH   132 432 82  HOH   HOH B . 
F 6 HOH   133 433 104 HOH   HOH B . 
F 6 HOH   134 434 205 HOH   HOH B . 
F 6 HOH   135 435 259 HOH   HOH B . 
F 6 HOH   136 436 127 HOH   HOH B . 
F 6 HOH   137 437 14  HOH   HOH B . 
F 6 HOH   138 438 131 HOH   HOH B . 
F 6 HOH   139 439 270 HOH   HOH B . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 B LEU 192 ? CG  ? A LEU 186 CG  
2 1 Y 1 B LEU 192 ? CD1 ? A LEU 186 CD1 
3 1 Y 1 B LEU 192 ? CD2 ? A LEU 186 CD2 
# 
loop_
_software.pdbx_ordinal 
_software.name 
_software.version 
_software.date 
_software.type 
_software.contact_author 
_software.contact_author_email 
_software.classification 
_software.location 
_software.language 
_software.citation_id 
1 REFMAC      5.8.0267 ?               program 'Garib N. Murshudov' garib@ysbl.york.ac.uk    refinement        
http://www.ccp4.ac.uk/dist/html/refmac5.html        Fortran_77 ? 
2 Aimless     0.7.7    23/04/21        program 'Phil Evans'         ?                        'data scaling'    
http://www.mrc-lmb.cam.ac.uk/harry/pre/aimless.html ?          ? 
3 PDB_EXTRACT 3.23     'SEP. 23, 2016' package PDB                  deposit@deposit.rcsb.org 'data extraction' 
http://sw-tools.pdb.org/apps/PDB_EXTRACT/           C++        ? 
4 XDS         .        ?               program ?                    ?                        'data reduction'  ? ?          ? 
5 REFMAC      .        ?               program ?                    ?                        phasing           ? ?          ? 
# 
_cell.entry_id           7HNJ 
_cell.length_a           95.373 
_cell.length_b           95.373 
_cell.length_c           45.819 
_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                         7HNJ 
_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          7HNJ 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.41 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   49.01 
_exptl_crystal.size_max              ? 
_exptl_crystal.size_mid              ? 
_exptl_crystal.size_min              ? 
_exptl_crystal.size_rad              ? 
_exptl_crystal.description           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.pH              8 
_exptl_crystal_grow.temp            293 
_exptl_crystal_grow.pdbx_details    '4 % PEG 400, 2 M AmmSO4, 0.1 M HEPES pH 8' 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           100 
_diffrn.crystal_id             1 
_diffrn.ambient_temp_details   ? 
# 
_diffrn_detector.detector               PIXEL 
_diffrn_detector.type                   'DECTRIS EIGER2 XE 9M' 
_diffrn_detector.pdbx_collection_date   2024-07-03 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.92134 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'DIAMOND BEAMLINE I04-1' 
_diffrn_source.pdbx_wavelength_list        0.92134 
_diffrn_source.pdbx_synchrotron_site       Diamond 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HNJ 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             67.440 
_reflns.d_resolution_high            1.430 
_reflns.number_obs                   38158 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         100.000 
_reflns.pdbx_Rmerge_I_obs            0.278 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        13.800 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              12.800 
_reflns.pdbx_Rrim_I_all              0.289 
_reflns.pdbx_Rpim_I_all              0.081 
_reflns.pdbx_CC_half                 0.997 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     488344 
_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                      ? 
_reflns.pdbx_CC_star                 ? 
# 
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 
_reflns_shell.pdbx_CC_star 
1 1 1.430 1.460  ? 17226 1891 ? 9.999 ? ? ? 9.100  ? 0.900  ? ? ? ? ? ? 100.000 10    3.727 0.356 ? 
1 2 7.840 67.440 ? 2837  257  ? 0.089 ? ? ? 11.000 ? 59.800 ? ? ? ? ? ? 99.900  0.094 0.030 0.943 ? 
# 
_refine.entry_id                                 7HNJ 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.4300 
_refine.ls_d_res_low                             67.4400 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    99.9800 
_refine.ls_number_reflns_obs                     36308 
_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                          0.1706 
_refine.ls_R_factor_R_work                       0.1693 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.1955 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.8000 
_refine.ls_number_reflns_R_free                  1849 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               20.2210 
_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]                            0.2100 
_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               0.9700 
_refine.correlation_coeff_Fo_to_Fc_free          0.9610 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.overall_SU_R_free                        ? 
_refine.pdbx_overall_ESU_R                       0.0640 
_refine.pdbx_overall_ESU_R_Free                  0.0660 
_refine.overall_SU_ML                            0.0500 
_refine.overall_SU_B                             1.3830 
_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                                101.800 
_refine.B_iso_min                                10.650 
_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                       1.4300 
_refine_hist.d_res_low                        67.4400 
_refine_hist.pdbx_number_atoms_ligand         39 
_refine_hist.number_atoms_solvent             139 
_refine_hist.number_atoms_total               1671 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           36.97 
_refine_hist.pdbx_B_iso_mean_solvent          31.62 
_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       2041 0.011  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1639 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2550 1.754  1.646  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3788 1.434  1.577  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 235  7.151  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 107  27.027 21.215 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 285  12.692 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   21.283 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         217  0.085  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2230 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     494  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            949  1.720  1.832  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         938  1.710  1.803  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1129 2.711  2.711  ? ? 
# 
_refine_ls_shell.d_res_high                       1.4310 
_refine_ls_shell.d_res_low                        1.4680 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               100.0000 
_refine_ls_shell.number_reflns_R_work             2693 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3020 
_refine_ls_shell.R_factor_R_free                  0.3240 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             127 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                2820 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_ls_shell.R_factor_obs                     ? 
# 
_struct.entry_id                  7HNJ 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1162778919' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HNJ 
_struct_keywords.text            'SGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, TRIM21, LIGASE' 
_struct_keywords.pdbx_keywords   LIGASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
E N N 5 ? 
F N N 6 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    RO52_MOUSE 
_struct_ref.pdbx_db_accession          Q62191 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;VHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGVCRDSVQRK
GQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFAGPLRPFFN
VGFNYSGGNAAPLKLCPLKM
;
_struct_ref.pdbx_align_begin           291 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              7HNJ 
_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 7HNJ MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HNJ HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HNJ HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HNJ HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HNJ HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HNJ HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HNJ HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HNJ MET B 8 ? UNP Q62191 ? ? 'expression tag'        14 8 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 4  ? MET A 8  ? HIS B 10  MET B 14  5 ? 5 
HELX_P HELX_P2 AA2 ASP A 14 ? ALA A 18 ? ASP B 20  ALA B 24  5 ? 5 
HELX_P HELX_P3 AA3 SER A 94 ? ASN A 97 ? SER B 100 ASN B 103 5 ? 4 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           114 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            120 
_struct_mon_prot_cis.auth_asym_id           B 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    115 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     121 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    B 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -3.46 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 7 ? 
AA2 ? 6 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 LEU A 22  ? ILE A 24  ? LEU B 28  ILE B 30  
AA1 2 GLN A 30  ? MET A 33  ? GLN B 36  MET B 39  
AA1 3 LEU A 181 ? LEU A 183 ? LEU B 187 LEU B 189 
AA1 4 LYS A 63  ? ASP A 69  ? LYS B 69  ASP B 75  
AA1 5 GLN A 127 ? ASP A 133 ? GLN B 133 ASP B 139 
AA1 6 VAL A 138 ? ASN A 143 ? VAL B 144 ASN B 149 
AA1 7 SER A 149 ? PHE A 154 ? SER B 155 PHE B 160 
AA2 1 MET A 52  ? LEU A 54  ? MET B 58  LEU B 60  
AA2 2 LEU A 163 ? ASN A 168 ? LEU B 169 ASN B 174 
AA2 3 TRP A 76  ? ARG A 82  ? TRP B 82  ARG B 88  
AA2 4 PHE A 99  ? TRP A 105 ? PHE B 105 TRP B 111 
AA2 5 SER A 108 ? ALA A 111 ? SER B 114 ALA B 117 
AA2 6 THR A 117 ? THR A 118 ? THR B 123 THR B 124 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N ILE A 23  ? N ILE B 29  O ARG A 32  ? O ARG B 38  
AA1 2 3 N VAL A 31  ? N VAL B 37  O LEU A 181 ? O LEU B 187 
AA1 3 4 O LYS A 182 ? O LYS B 188 N ASP A 69  ? N ASP B 75  
AA1 4 5 N TRP A 66  ? N TRP B 72  O ILE A 130 ? O ILE B 136 
AA1 5 6 N PHE A 131 ? N PHE B 137 O SER A 140 ? O SER B 146 
AA1 6 7 N PHE A 141 ? N PHE B 147 O ILE A 151 ? O ILE B 157 
AA2 1 2 N VAL A 53  ? N VAL B 59  O PHE A 167 ? O PHE B 173 
AA2 2 3 O ARG A 164 ? O ARG B 170 N CYS A 81  ? N CYS B 87  
AA2 3 4 N VAL A 80  ? N VAL B 86  O TRP A 100 ? O TRP B 106 
AA2 4 5 N TRP A 105 ? N TRP B 111 O SER A 108 ? O SER B 114 
AA2 5 6 N ALA A 111 ? N ALA B 117 O THR A 117 ? O THR B 123 
# 
_pdbx_entry_details.entry_id                   7HNJ 
_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 
# 
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 GLN B 78  ? ? 59.64   15.34 
2 1 ASP B 152 ? ? -101.07 49.76 
# 
_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     426 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   F 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
_phasing.method   MR 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 B MET 7   ? A MET 1   
2 1 Y 1 B LYS 193 ? A LYS 187 
3 1 Y 1 B MET 194 ? A MET 188 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
A1AP3 N1   N N N 1   
A1AP3 C4   C N N 2   
A1AP3 C5   C N N 3   
A1AP3 C6   C N N 4   
A1AP3 C7   C N N 5   
A1AP3 C8   C N N 6   
A1AP3 N    N Y N 7   
A1AP3 C    C N N 8   
A1AP3 O    O N N 9   
A1AP3 C1   C N N 10  
A1AP3 C2   C Y N 11  
A1AP3 C3   C Y N 12  
A1AP3 C9   C N N 13  
A1AP3 N2   N Y N 14  
A1AP3 O1   O Y N 15  
A1AP3 H6   H N N 16  
A1AP3 H5   H N N 17  
A1AP3 H7   H N N 18  
A1AP3 H8   H N N 19  
A1AP3 H9   H N N 20  
A1AP3 H10  H N N 21  
A1AP3 H2   H N N 22  
A1AP3 H    H N N 23  
A1AP3 H1   H N N 24  
A1AP3 H3   H N N 25  
A1AP3 H4   H N N 26  
ALA   N    N N N 27  
ALA   CA   C N S 28  
ALA   C    C N N 29  
ALA   O    O N N 30  
ALA   CB   C N N 31  
ALA   OXT  O N N 32  
ALA   H    H N N 33  
ALA   H2   H N N 34  
ALA   HA   H N N 35  
ALA   HB1  H N N 36  
ALA   HB2  H N N 37  
ALA   HB3  H N N 38  
ALA   HXT  H N N 39  
ARG   N    N N N 40  
ARG   CA   C N S 41  
ARG   C    C N N 42  
ARG   O    O N N 43  
ARG   CB   C N N 44  
ARG   CG   C N N 45  
ARG   CD   C N N 46  
ARG   NE   N N N 47  
ARG   CZ   C N N 48  
ARG   NH1  N N N 49  
ARG   NH2  N N N 50  
ARG   OXT  O N N 51  
ARG   H    H N N 52  
ARG   H2   H N N 53  
ARG   HA   H N N 54  
ARG   HB2  H N N 55  
ARG   HB3  H N N 56  
ARG   HG2  H N N 57  
ARG   HG3  H N N 58  
ARG   HD2  H N N 59  
ARG   HD3  H N N 60  
ARG   HE   H N N 61  
ARG   HH11 H N N 62  
ARG   HH12 H N N 63  
ARG   HH21 H N N 64  
ARG   HH22 H N N 65  
ARG   HXT  H N N 66  
ASN   N    N N N 67  
ASN   CA   C N S 68  
ASN   C    C N N 69  
ASN   O    O N N 70  
ASN   CB   C N N 71  
ASN   CG   C N N 72  
ASN   OD1  O N N 73  
ASN   ND2  N N N 74  
ASN   OXT  O N N 75  
ASN   H    H N N 76  
ASN   H2   H N N 77  
ASN   HA   H N N 78  
ASN   HB2  H N N 79  
ASN   HB3  H N N 80  
ASN   HD21 H N N 81  
ASN   HD22 H N N 82  
ASN   HXT  H N N 83  
ASP   N    N N N 84  
ASP   CA   C N S 85  
ASP   C    C N N 86  
ASP   O    O N N 87  
ASP   CB   C N N 88  
ASP   CG   C N N 89  
ASP   OD1  O N N 90  
ASP   OD2  O N N 91  
ASP   OXT  O N N 92  
ASP   H    H N N 93  
ASP   H2   H N N 94  
ASP   HA   H N N 95  
ASP   HB2  H N N 96  
ASP   HB3  H N N 97  
ASP   HD2  H N N 98  
ASP   HXT  H N N 99  
CYS   N    N N N 100 
CYS   CA   C N R 101 
CYS   C    C N N 102 
CYS   O    O N N 103 
CYS   CB   C N N 104 
CYS   SG   S N N 105 
CYS   OXT  O N N 106 
CYS   H    H N N 107 
CYS   H2   H N N 108 
CYS   HA   H N N 109 
CYS   HB2  H N N 110 
CYS   HB3  H N N 111 
CYS   HG   H N N 112 
CYS   HXT  H N N 113 
EDO   C1   C N N 114 
EDO   O1   O N N 115 
EDO   C2   C N N 116 
EDO   O2   O N N 117 
EDO   H11  H N N 118 
EDO   H12  H N N 119 
EDO   HO1  H N N 120 
EDO   H21  H N N 121 
EDO   H22  H N N 122 
EDO   HO2  H N N 123 
EPE   N1   N N N 124 
EPE   C2   C N N 125 
EPE   C3   C N N 126 
EPE   N4   N N N 127 
EPE   C5   C N N 128 
EPE   C6   C N N 129 
EPE   C7   C N N 130 
EPE   C8   C N N 131 
EPE   O8   O N N 132 
EPE   C9   C N N 133 
EPE   C10  C N N 134 
EPE   S    S N N 135 
EPE   O1S  O N N 136 
EPE   O2S  O N N 137 
EPE   O3S  O N N 138 
EPE   H21  H N N 139 
EPE   H22  H N N 140 
EPE   H31  H N N 141 
EPE   H32  H N N 142 
EPE   H51  H N N 143 
EPE   H52  H N N 144 
EPE   H61  H N N 145 
EPE   H62  H N N 146 
EPE   H71  H N N 147 
EPE   H72  H N N 148 
EPE   H81  H N N 149 
EPE   H82  H N N 150 
EPE   HO8  H N N 151 
EPE   H91  H N N 152 
EPE   H92  H N N 153 
EPE   H101 H N N 154 
EPE   H102 H N N 155 
EPE   HOS3 H N N 156 
GLN   N    N N N 157 
GLN   CA   C N S 158 
GLN   C    C N N 159 
GLN   O    O N N 160 
GLN   CB   C N N 161 
GLN   CG   C N N 162 
GLN   CD   C N N 163 
GLN   OE1  O N N 164 
GLN   NE2  N N N 165 
GLN   OXT  O N N 166 
GLN   H    H N N 167 
GLN   H2   H N N 168 
GLN   HA   H N N 169 
GLN   HB2  H N N 170 
GLN   HB3  H N N 171 
GLN   HG2  H N N 172 
GLN   HG3  H N N 173 
GLN   HE21 H N N 174 
GLN   HE22 H N N 175 
GLN   HXT  H N N 176 
GLU   N    N N N 177 
GLU   CA   C N S 178 
GLU   C    C N N 179 
GLU   O    O N N 180 
GLU   CB   C N N 181 
GLU   CG   C N N 182 
GLU   CD   C N N 183 
GLU   OE1  O N N 184 
GLU   OE2  O N N 185 
GLU   OXT  O N N 186 
GLU   H    H N N 187 
GLU   H2   H N N 188 
GLU   HA   H N N 189 
GLU   HB2  H N N 190 
GLU   HB3  H N N 191 
GLU   HG2  H N N 192 
GLU   HG3  H N N 193 
GLU   HE2  H N N 194 
GLU   HXT  H N N 195 
GLY   N    N N N 196 
GLY   CA   C N N 197 
GLY   C    C N N 198 
GLY   O    O N N 199 
GLY   OXT  O N N 200 
GLY   H    H N N 201 
GLY   H2   H N N 202 
GLY   HA2  H N N 203 
GLY   HA3  H N N 204 
GLY   HXT  H N N 205 
HIS   N    N N N 206 
HIS   CA   C N S 207 
HIS   C    C N N 208 
HIS   O    O N N 209 
HIS   CB   C N N 210 
HIS   CG   C Y N 211 
HIS   ND1  N Y N 212 
HIS   CD2  C Y N 213 
HIS   CE1  C Y N 214 
HIS   NE2  N Y N 215 
HIS   OXT  O N N 216 
HIS   H    H N N 217 
HIS   H2   H N N 218 
HIS   HA   H N N 219 
HIS   HB2  H N N 220 
HIS   HB3  H N N 221 
HIS   HD1  H N N 222 
HIS   HD2  H N N 223 
HIS   HE1  H N N 224 
HIS   HE2  H N N 225 
HIS   HXT  H N N 226 
HOH   O    O N N 227 
HOH   H1   H N N 228 
HOH   H2   H N N 229 
ILE   N    N N N 230 
ILE   CA   C N S 231 
ILE   C    C N N 232 
ILE   O    O N N 233 
ILE   CB   C N S 234 
ILE   CG1  C N N 235 
ILE   CG2  C N N 236 
ILE   CD1  C N N 237 
ILE   OXT  O N N 238 
ILE   H    H N N 239 
ILE   H2   H N N 240 
ILE   HA   H N N 241 
ILE   HB   H N N 242 
ILE   HG12 H N N 243 
ILE   HG13 H N N 244 
ILE   HG21 H N N 245 
ILE   HG22 H N N 246 
ILE   HG23 H N N 247 
ILE   HD11 H N N 248 
ILE   HD12 H N N 249 
ILE   HD13 H N N 250 
ILE   HXT  H N N 251 
LEU   N    N N N 252 
LEU   CA   C N S 253 
LEU   C    C N N 254 
LEU   O    O N N 255 
LEU   CB   C N N 256 
LEU   CG   C N N 257 
LEU   CD1  C N N 258 
LEU   CD2  C N N 259 
LEU   OXT  O N N 260 
LEU   H    H N N 261 
LEU   H2   H N N 262 
LEU   HA   H N N 263 
LEU   HB2  H N N 264 
LEU   HB3  H N N 265 
LEU   HG   H N N 266 
LEU   HD11 H N N 267 
LEU   HD12 H N N 268 
LEU   HD13 H N N 269 
LEU   HD21 H N N 270 
LEU   HD22 H N N 271 
LEU   HD23 H N N 272 
LEU   HXT  H N N 273 
LYS   N    N N N 274 
LYS   CA   C N S 275 
LYS   C    C N N 276 
LYS   O    O N N 277 
LYS   CB   C N N 278 
LYS   CG   C N N 279 
LYS   CD   C N N 280 
LYS   CE   C N N 281 
LYS   NZ   N N N 282 
LYS   OXT  O N N 283 
LYS   H    H N N 284 
LYS   H2   H N N 285 
LYS   HA   H N N 286 
LYS   HB2  H N N 287 
LYS   HB3  H N N 288 
LYS   HG2  H N N 289 
LYS   HG3  H N N 290 
LYS   HD2  H N N 291 
LYS   HD3  H N N 292 
LYS   HE2  H N N 293 
LYS   HE3  H N N 294 
LYS   HZ1  H N N 295 
LYS   HZ2  H N N 296 
LYS   HZ3  H N N 297 
LYS   HXT  H N N 298 
MET   N    N N N 299 
MET   CA   C N S 300 
MET   C    C N N 301 
MET   O    O N N 302 
MET   CB   C N N 303 
MET   CG   C N N 304 
MET   SD   S N N 305 
MET   CE   C N N 306 
MET   OXT  O N N 307 
MET   H    H N N 308 
MET   H2   H N N 309 
MET   HA   H N N 310 
MET   HB2  H N N 311 
MET   HB3  H N N 312 
MET   HG2  H N N 313 
MET   HG3  H N N 314 
MET   HE1  H N N 315 
MET   HE2  H N N 316 
MET   HE3  H N N 317 
MET   HXT  H N N 318 
PHE   N    N N N 319 
PHE   CA   C N S 320 
PHE   C    C N N 321 
PHE   O    O N N 322 
PHE   CB   C N N 323 
PHE   CG   C Y N 324 
PHE   CD1  C Y N 325 
PHE   CD2  C Y N 326 
PHE   CE1  C Y N 327 
PHE   CE2  C Y N 328 
PHE   CZ   C Y N 329 
PHE   OXT  O N N 330 
PHE   H    H N N 331 
PHE   H2   H N N 332 
PHE   HA   H N N 333 
PHE   HB2  H N N 334 
PHE   HB3  H N N 335 
PHE   HD1  H N N 336 
PHE   HD2  H N N 337 
PHE   HE1  H N N 338 
PHE   HE2  H N N 339 
PHE   HZ   H N N 340 
PHE   HXT  H N N 341 
PRO   N    N N N 342 
PRO   CA   C N S 343 
PRO   C    C N N 344 
PRO   O    O N N 345 
PRO   CB   C N N 346 
PRO   CG   C N N 347 
PRO   CD   C N N 348 
PRO   OXT  O N N 349 
PRO   H    H N N 350 
PRO   HA   H N N 351 
PRO   HB2  H N N 352 
PRO   HB3  H N N 353 
PRO   HG2  H N N 354 
PRO   HG3  H N N 355 
PRO   HD2  H N N 356 
PRO   HD3  H N N 357 
PRO   HXT  H N N 358 
SER   N    N N N 359 
SER   CA   C N S 360 
SER   C    C N N 361 
SER   O    O N N 362 
SER   CB   C N N 363 
SER   OG   O N N 364 
SER   OXT  O N N 365 
SER   H    H N N 366 
SER   H2   H N N 367 
SER   HA   H N N 368 
SER   HB2  H N N 369 
SER   HB3  H N N 370 
SER   HG   H N N 371 
SER   HXT  H N N 372 
SO4   S    S N N 373 
SO4   O1   O N N 374 
SO4   O2   O N N 375 
SO4   O3   O N N 376 
SO4   O4   O N N 377 
THR   N    N N N 378 
THR   CA   C N S 379 
THR   C    C N N 380 
THR   O    O N N 381 
THR   CB   C N R 382 
THR   OG1  O N N 383 
THR   CG2  C N N 384 
THR   OXT  O N N 385 
THR   H    H N N 386 
THR   H2   H N N 387 
THR   HA   H N N 388 
THR   HB   H N N 389 
THR   HG1  H N N 390 
THR   HG21 H N N 391 
THR   HG22 H N N 392 
THR   HG23 H N N 393 
THR   HXT  H N N 394 
TRP   N    N N N 395 
TRP   CA   C N S 396 
TRP   C    C N N 397 
TRP   O    O N N 398 
TRP   CB   C N N 399 
TRP   CG   C Y N 400 
TRP   CD1  C Y N 401 
TRP   CD2  C Y N 402 
TRP   NE1  N Y N 403 
TRP   CE2  C Y N 404 
TRP   CE3  C Y N 405 
TRP   CZ2  C Y N 406 
TRP   CZ3  C Y N 407 
TRP   CH2  C Y N 408 
TRP   OXT  O N N 409 
TRP   H    H N N 410 
TRP   H2   H N N 411 
TRP   HA   H N N 412 
TRP   HB2  H N N 413 
TRP   HB3  H N N 414 
TRP   HD1  H N N 415 
TRP   HE1  H N N 416 
TRP   HE3  H N N 417 
TRP   HZ2  H N N 418 
TRP   HZ3  H N N 419 
TRP   HH2  H N N 420 
TRP   HXT  H N N 421 
TYR   N    N N N 422 
TYR   CA   C N S 423 
TYR   C    C N N 424 
TYR   O    O N N 425 
TYR   CB   C N N 426 
TYR   CG   C Y N 427 
TYR   CD1  C Y N 428 
TYR   CD2  C Y N 429 
TYR   CE1  C Y N 430 
TYR   CE2  C Y N 431 
TYR   CZ   C Y N 432 
TYR   OH   O N N 433 
TYR   OXT  O N N 434 
TYR   H    H N N 435 
TYR   H2   H N N 436 
TYR   HA   H N N 437 
TYR   HB2  H N N 438 
TYR   HB3  H N N 439 
TYR   HD1  H N N 440 
TYR   HD2  H N N 441 
TYR   HE1  H N N 442 
TYR   HE2  H N N 443 
TYR   HH   H N N 444 
TYR   HXT  H N N 445 
VAL   N    N N N 446 
VAL   CA   C N S 447 
VAL   C    C N N 448 
VAL   O    O N N 449 
VAL   CB   C N N 450 
VAL   CG1  C N N 451 
VAL   CG2  C N N 452 
VAL   OXT  O N N 453 
VAL   H    H N N 454 
VAL   H2   H N N 455 
VAL   HA   H N N 456 
VAL   HB   H N N 457 
VAL   HG11 H N N 458 
VAL   HG12 H N N 459 
VAL   HG13 H N N 460 
VAL   HG21 H N N 461 
VAL   HG22 H N N 462 
VAL   HG23 H N N 463 
VAL   HXT  H N N 464 
# 
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 
A1AP3 C   C1   sing N N 1   
A1AP3 C1  C2   sing N N 2   
A1AP3 C2  N    doub Y N 3   
A1AP3 N   C3   sing Y N 4   
A1AP3 C3  C4   sing N N 5   
A1AP3 C4  N1   sing N N 6   
A1AP3 N1  C5   sing N N 7   
A1AP3 C5  C6   doub N N 8   
A1AP3 C6  C7   sing N N 9   
A1AP3 C7  C8   doub N N 10  
A1AP3 C8  C9   sing N N 11  
A1AP3 N1  C9   sing N N 12  
A1AP3 C9  O    doub N N 13  
A1AP3 N2  C3   doub Y N 14  
A1AP3 O1  N2   sing Y N 15  
A1AP3 C2  O1   sing Y N 16  
A1AP3 C4  H6   sing N N 17  
A1AP3 C4  H5   sing N N 18  
A1AP3 C5  H7   sing N N 19  
A1AP3 C6  H8   sing N N 20  
A1AP3 C7  H9   sing N N 21  
A1AP3 C8  H10  sing N N 22  
A1AP3 C   H2   sing N N 23  
A1AP3 C   H    sing N N 24  
A1AP3 C   H1   sing N N 25  
A1AP3 C1  H3   sing N N 26  
A1AP3 C1  H4   sing N N 27  
ALA   N   CA   sing N N 28  
ALA   N   H    sing N N 29  
ALA   N   H2   sing N N 30  
ALA   CA  C    sing N N 31  
ALA   CA  CB   sing N N 32  
ALA   CA  HA   sing N N 33  
ALA   C   O    doub N N 34  
ALA   C   OXT  sing N N 35  
ALA   CB  HB1  sing N N 36  
ALA   CB  HB2  sing N N 37  
ALA   CB  HB3  sing N N 38  
ALA   OXT HXT  sing N N 39  
ARG   N   CA   sing N N 40  
ARG   N   H    sing N N 41  
ARG   N   H2   sing N N 42  
ARG   CA  C    sing N N 43  
ARG   CA  CB   sing N N 44  
ARG   CA  HA   sing N N 45  
ARG   C   O    doub N N 46  
ARG   C   OXT  sing N N 47  
ARG   CB  CG   sing N N 48  
ARG   CB  HB2  sing N N 49  
ARG   CB  HB3  sing N N 50  
ARG   CG  CD   sing N N 51  
ARG   CG  HG2  sing N N 52  
ARG   CG  HG3  sing N N 53  
ARG   CD  NE   sing N N 54  
ARG   CD  HD2  sing N N 55  
ARG   CD  HD3  sing N N 56  
ARG   NE  CZ   sing N N 57  
ARG   NE  HE   sing N N 58  
ARG   CZ  NH1  sing N N 59  
ARG   CZ  NH2  doub N N 60  
ARG   NH1 HH11 sing N N 61  
ARG   NH1 HH12 sing N N 62  
ARG   NH2 HH21 sing N N 63  
ARG   NH2 HH22 sing N N 64  
ARG   OXT HXT  sing N N 65  
ASN   N   CA   sing N N 66  
ASN   N   H    sing N N 67  
ASN   N   H2   sing N N 68  
ASN   CA  C    sing N N 69  
ASN   CA  CB   sing N N 70  
ASN   CA  HA   sing N N 71  
ASN   C   O    doub N N 72  
ASN   C   OXT  sing N N 73  
ASN   CB  CG   sing N N 74  
ASN   CB  HB2  sing N N 75  
ASN   CB  HB3  sing N N 76  
ASN   CG  OD1  doub N N 77  
ASN   CG  ND2  sing N N 78  
ASN   ND2 HD21 sing N N 79  
ASN   ND2 HD22 sing N N 80  
ASN   OXT HXT  sing N N 81  
ASP   N   CA   sing N N 82  
ASP   N   H    sing N N 83  
ASP   N   H2   sing N N 84  
ASP   CA  C    sing N N 85  
ASP   CA  CB   sing N N 86  
ASP   CA  HA   sing N N 87  
ASP   C   O    doub N N 88  
ASP   C   OXT  sing N N 89  
ASP   CB  CG   sing N N 90  
ASP   CB  HB2  sing N N 91  
ASP   CB  HB3  sing N N 92  
ASP   CG  OD1  doub N N 93  
ASP   CG  OD2  sing N N 94  
ASP   OD2 HD2  sing N N 95  
ASP   OXT HXT  sing N N 96  
CYS   N   CA   sing N N 97  
CYS   N   H    sing N N 98  
CYS   N   H2   sing N N 99  
CYS   CA  C    sing N N 100 
CYS   CA  CB   sing N N 101 
CYS   CA  HA   sing N N 102 
CYS   C   O    doub N N 103 
CYS   C   OXT  sing N N 104 
CYS   CB  SG   sing N N 105 
CYS   CB  HB2  sing N N 106 
CYS   CB  HB3  sing N N 107 
CYS   SG  HG   sing N N 108 
CYS   OXT HXT  sing N N 109 
EDO   C1  O1   sing N N 110 
EDO   C1  C2   sing N N 111 
EDO   C1  H11  sing N N 112 
EDO   C1  H12  sing N N 113 
EDO   O1  HO1  sing N N 114 
EDO   C2  O2   sing N N 115 
EDO   C2  H21  sing N N 116 
EDO   C2  H22  sing N N 117 
EDO   O2  HO2  sing N N 118 
EPE   N1  C2   sing N N 119 
EPE   N1  C6   sing N N 120 
EPE   N1  C9   sing N N 121 
EPE   C2  C3   sing N N 122 
EPE   C2  H21  sing N N 123 
EPE   C2  H22  sing N N 124 
EPE   C3  N4   sing N N 125 
EPE   C3  H31  sing N N 126 
EPE   C3  H32  sing N N 127 
EPE   N4  C5   sing N N 128 
EPE   N4  C7   sing N N 129 
EPE   C5  C6   sing N N 130 
EPE   C5  H51  sing N N 131 
EPE   C5  H52  sing N N 132 
EPE   C6  H61  sing N N 133 
EPE   C6  H62  sing N N 134 
EPE   C7  C8   sing N N 135 
EPE   C7  H71  sing N N 136 
EPE   C7  H72  sing N N 137 
EPE   C8  O8   sing N N 138 
EPE   C8  H81  sing N N 139 
EPE   C8  H82  sing N N 140 
EPE   O8  HO8  sing N N 141 
EPE   C9  C10  sing N N 142 
EPE   C9  H91  sing N N 143 
EPE   C9  H92  sing N N 144 
EPE   C10 S    sing N N 145 
EPE   C10 H101 sing N N 146 
EPE   C10 H102 sing N N 147 
EPE   S   O1S  doub N N 148 
EPE   S   O2S  doub N N 149 
EPE   S   O3S  sing N N 150 
EPE   O3S HOS3 sing N N 151 
GLN   N   CA   sing N N 152 
GLN   N   H    sing N N 153 
GLN   N   H2   sing N N 154 
GLN   CA  C    sing N N 155 
GLN   CA  CB   sing N N 156 
GLN   CA  HA   sing N N 157 
GLN   C   O    doub N N 158 
GLN   C   OXT  sing N N 159 
GLN   CB  CG   sing N N 160 
GLN   CB  HB2  sing N N 161 
GLN   CB  HB3  sing N N 162 
GLN   CG  CD   sing N N 163 
GLN   CG  HG2  sing N N 164 
GLN   CG  HG3  sing N N 165 
GLN   CD  OE1  doub N N 166 
GLN   CD  NE2  sing N N 167 
GLN   NE2 HE21 sing N N 168 
GLN   NE2 HE22 sing N N 169 
GLN   OXT HXT  sing N N 170 
GLU   N   CA   sing N N 171 
GLU   N   H    sing N N 172 
GLU   N   H2   sing N N 173 
GLU   CA  C    sing N N 174 
GLU   CA  CB   sing N N 175 
GLU   CA  HA   sing N N 176 
GLU   C   O    doub N N 177 
GLU   C   OXT  sing N N 178 
GLU   CB  CG   sing N N 179 
GLU   CB  HB2  sing N N 180 
GLU   CB  HB3  sing N N 181 
GLU   CG  CD   sing N N 182 
GLU   CG  HG2  sing N N 183 
GLU   CG  HG3  sing N N 184 
GLU   CD  OE1  doub N N 185 
GLU   CD  OE2  sing N N 186 
GLU   OE2 HE2  sing N N 187 
GLU   OXT HXT  sing N N 188 
GLY   N   CA   sing N N 189 
GLY   N   H    sing N N 190 
GLY   N   H2   sing N N 191 
GLY   CA  C    sing N N 192 
GLY   CA  HA2  sing N N 193 
GLY   CA  HA3  sing N N 194 
GLY   C   O    doub N N 195 
GLY   C   OXT  sing N N 196 
GLY   OXT HXT  sing N N 197 
HIS   N   CA   sing N N 198 
HIS   N   H    sing N N 199 
HIS   N   H2   sing N N 200 
HIS   CA  C    sing N N 201 
HIS   CA  CB   sing N N 202 
HIS   CA  HA   sing N N 203 
HIS   C   O    doub N N 204 
HIS   C   OXT  sing N N 205 
HIS   CB  CG   sing N N 206 
HIS   CB  HB2  sing N N 207 
HIS   CB  HB3  sing N N 208 
HIS   CG  ND1  sing Y N 209 
HIS   CG  CD2  doub Y N 210 
HIS   ND1 CE1  doub Y N 211 
HIS   ND1 HD1  sing N N 212 
HIS   CD2 NE2  sing Y N 213 
HIS   CD2 HD2  sing N N 214 
HIS   CE1 NE2  sing Y N 215 
HIS   CE1 HE1  sing N N 216 
HIS   NE2 HE2  sing N N 217 
HIS   OXT HXT  sing N N 218 
HOH   O   H1   sing N N 219 
HOH   O   H2   sing N N 220 
ILE   N   CA   sing N N 221 
ILE   N   H    sing N N 222 
ILE   N   H2   sing N N 223 
ILE   CA  C    sing N N 224 
ILE   CA  CB   sing N N 225 
ILE   CA  HA   sing N N 226 
ILE   C   O    doub N N 227 
ILE   C   OXT  sing N N 228 
ILE   CB  CG1  sing N N 229 
ILE   CB  CG2  sing N N 230 
ILE   CB  HB   sing N N 231 
ILE   CG1 CD1  sing N N 232 
ILE   CG1 HG12 sing N N 233 
ILE   CG1 HG13 sing N N 234 
ILE   CG2 HG21 sing N N 235 
ILE   CG2 HG22 sing N N 236 
ILE   CG2 HG23 sing N N 237 
ILE   CD1 HD11 sing N N 238 
ILE   CD1 HD12 sing N N 239 
ILE   CD1 HD13 sing N N 240 
ILE   OXT HXT  sing N N 241 
LEU   N   CA   sing N N 242 
LEU   N   H    sing N N 243 
LEU   N   H2   sing N N 244 
LEU   CA  C    sing N N 245 
LEU   CA  CB   sing N N 246 
LEU   CA  HA   sing N N 247 
LEU   C   O    doub N N 248 
LEU   C   OXT  sing N N 249 
LEU   CB  CG   sing N N 250 
LEU   CB  HB2  sing N N 251 
LEU   CB  HB3  sing N N 252 
LEU   CG  CD1  sing N N 253 
LEU   CG  CD2  sing N N 254 
LEU   CG  HG   sing N N 255 
LEU   CD1 HD11 sing N N 256 
LEU   CD1 HD12 sing N N 257 
LEU   CD1 HD13 sing N N 258 
LEU   CD2 HD21 sing N N 259 
LEU   CD2 HD22 sing N N 260 
LEU   CD2 HD23 sing N N 261 
LEU   OXT HXT  sing N N 262 
LYS   N   CA   sing N N 263 
LYS   N   H    sing N N 264 
LYS   N   H2   sing N N 265 
LYS   CA  C    sing N N 266 
LYS   CA  CB   sing N N 267 
LYS   CA  HA   sing N N 268 
LYS   C   O    doub N N 269 
LYS   C   OXT  sing N N 270 
LYS   CB  CG   sing N N 271 
LYS   CB  HB2  sing N N 272 
LYS   CB  HB3  sing N N 273 
LYS   CG  CD   sing N N 274 
LYS   CG  HG2  sing N N 275 
LYS   CG  HG3  sing N N 276 
LYS   CD  CE   sing N N 277 
LYS   CD  HD2  sing N N 278 
LYS   CD  HD3  sing N N 279 
LYS   CE  NZ   sing N N 280 
LYS   CE  HE2  sing N N 281 
LYS   CE  HE3  sing N N 282 
LYS   NZ  HZ1  sing N N 283 
LYS   NZ  HZ2  sing N N 284 
LYS   NZ  HZ3  sing N N 285 
LYS   OXT HXT  sing N N 286 
MET   N   CA   sing N N 287 
MET   N   H    sing N N 288 
MET   N   H2   sing N N 289 
MET   CA  C    sing N N 290 
MET   CA  CB   sing N N 291 
MET   CA  HA   sing N N 292 
MET   C   O    doub N N 293 
MET   C   OXT  sing N N 294 
MET   CB  CG   sing N N 295 
MET   CB  HB2  sing N N 296 
MET   CB  HB3  sing N N 297 
MET   CG  SD   sing N N 298 
MET   CG  HG2  sing N N 299 
MET   CG  HG3  sing N N 300 
MET   SD  CE   sing N N 301 
MET   CE  HE1  sing N N 302 
MET   CE  HE2  sing N N 303 
MET   CE  HE3  sing N N 304 
MET   OXT HXT  sing N N 305 
PHE   N   CA   sing N N 306 
PHE   N   H    sing N N 307 
PHE   N   H2   sing N N 308 
PHE   CA  C    sing N N 309 
PHE   CA  CB   sing N N 310 
PHE   CA  HA   sing N N 311 
PHE   C   O    doub N N 312 
PHE   C   OXT  sing N N 313 
PHE   CB  CG   sing N N 314 
PHE   CB  HB2  sing N N 315 
PHE   CB  HB3  sing N N 316 
PHE   CG  CD1  doub Y N 317 
PHE   CG  CD2  sing Y N 318 
PHE   CD1 CE1  sing Y N 319 
PHE   CD1 HD1  sing N N 320 
PHE   CD2 CE2  doub Y N 321 
PHE   CD2 HD2  sing N N 322 
PHE   CE1 CZ   doub Y N 323 
PHE   CE1 HE1  sing N N 324 
PHE   CE2 CZ   sing Y N 325 
PHE   CE2 HE2  sing N N 326 
PHE   CZ  HZ   sing N N 327 
PHE   OXT HXT  sing N N 328 
PRO   N   CA   sing N N 329 
PRO   N   CD   sing N N 330 
PRO   N   H    sing N N 331 
PRO   CA  C    sing N N 332 
PRO   CA  CB   sing N N 333 
PRO   CA  HA   sing N N 334 
PRO   C   O    doub N N 335 
PRO   C   OXT  sing N N 336 
PRO   CB  CG   sing N N 337 
PRO   CB  HB2  sing N N 338 
PRO   CB  HB3  sing N N 339 
PRO   CG  CD   sing N N 340 
PRO   CG  HG2  sing N N 341 
PRO   CG  HG3  sing N N 342 
PRO   CD  HD2  sing N N 343 
PRO   CD  HD3  sing N N 344 
PRO   OXT HXT  sing N N 345 
SER   N   CA   sing N N 346 
SER   N   H    sing N N 347 
SER   N   H2   sing N N 348 
SER   CA  C    sing N N 349 
SER   CA  CB   sing N N 350 
SER   CA  HA   sing N N 351 
SER   C   O    doub N N 352 
SER   C   OXT  sing N N 353 
SER   CB  OG   sing N N 354 
SER   CB  HB2  sing N N 355 
SER   CB  HB3  sing N N 356 
SER   OG  HG   sing N N 357 
SER   OXT HXT  sing N N 358 
SO4   S   O1   doub N N 359 
SO4   S   O2   doub N N 360 
SO4   S   O3   sing N N 361 
SO4   S   O4   sing N N 362 
THR   N   CA   sing N N 363 
THR   N   H    sing N N 364 
THR   N   H2   sing N N 365 
THR   CA  C    sing N N 366 
THR   CA  CB   sing N N 367 
THR   CA  HA   sing N N 368 
THR   C   O    doub N N 369 
THR   C   OXT  sing N N 370 
THR   CB  OG1  sing N N 371 
THR   CB  CG2  sing N N 372 
THR   CB  HB   sing N N 373 
THR   OG1 HG1  sing N N 374 
THR   CG2 HG21 sing N N 375 
THR   CG2 HG22 sing N N 376 
THR   CG2 HG23 sing N N 377 
THR   OXT HXT  sing N N 378 
TRP   N   CA   sing N N 379 
TRP   N   H    sing N N 380 
TRP   N   H2   sing N N 381 
TRP   CA  C    sing N N 382 
TRP   CA  CB   sing N N 383 
TRP   CA  HA   sing N N 384 
TRP   C   O    doub N N 385 
TRP   C   OXT  sing N N 386 
TRP   CB  CG   sing N N 387 
TRP   CB  HB2  sing N N 388 
TRP   CB  HB3  sing N N 389 
TRP   CG  CD1  doub Y N 390 
TRP   CG  CD2  sing Y N 391 
TRP   CD1 NE1  sing Y N 392 
TRP   CD1 HD1  sing N N 393 
TRP   CD2 CE2  doub Y N 394 
TRP   CD2 CE3  sing Y N 395 
TRP   NE1 CE2  sing Y N 396 
TRP   NE1 HE1  sing N N 397 
TRP   CE2 CZ2  sing Y N 398 
TRP   CE3 CZ3  doub Y N 399 
TRP   CE3 HE3  sing N N 400 
TRP   CZ2 CH2  doub Y N 401 
TRP   CZ2 HZ2  sing N N 402 
TRP   CZ3 CH2  sing Y N 403 
TRP   CZ3 HZ3  sing N N 404 
TRP   CH2 HH2  sing N N 405 
TRP   OXT HXT  sing N N 406 
TYR   N   CA   sing N N 407 
TYR   N   H    sing N N 408 
TYR   N   H2   sing N N 409 
TYR   CA  C    sing N N 410 
TYR   CA  CB   sing N N 411 
TYR   CA  HA   sing N N 412 
TYR   C   O    doub N N 413 
TYR   C   OXT  sing N N 414 
TYR   CB  CG   sing N N 415 
TYR   CB  HB2  sing N N 416 
TYR   CB  HB3  sing N N 417 
TYR   CG  CD1  doub Y N 418 
TYR   CG  CD2  sing Y N 419 
TYR   CD1 CE1  sing Y N 420 
TYR   CD1 HD1  sing N N 421 
TYR   CD2 CE2  doub Y N 422 
TYR   CD2 HD2  sing N N 423 
TYR   CE1 CZ   doub Y N 424 
TYR   CE1 HE1  sing N N 425 
TYR   CE2 CZ   sing Y N 426 
TYR   CE2 HE2  sing N N 427 
TYR   CZ  OH   sing N N 428 
TYR   OH  HH   sing N N 429 
TYR   OXT HXT  sing N N 430 
VAL   N   CA   sing N N 431 
VAL   N   H    sing N N 432 
VAL   N   H2   sing N N 433 
VAL   CA  C    sing N N 434 
VAL   CA  CB   sing N N 435 
VAL   CA  HA   sing N N 436 
VAL   C   O    doub N N 437 
VAL   C   OXT  sing N N 438 
VAL   CB  CG1  sing N N 439 
VAL   CB  CG2  sing N N 440 
VAL   CB  HB   sing N N 441 
VAL   CG1 HG11 sing N N 442 
VAL   CG1 HG12 sing N N 443 
VAL   CG1 HG13 sing N N 444 
VAL   CG2 HG21 sing N N 445 
VAL   CG2 HG22 sing N N 446 
VAL   CG2 HG23 sing N N 447 
VAL   OXT HXT  sing N N 448 
# 
_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                    7HNJ 
_atom_sites.fract_transf_matrix[1][1]   0.010485 
_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]   0.010485 
_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]   0.021825 
_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   ? -13.096 -13.252 -9.935  1.00 85.93  ? 8   HIS   B N   1 
ATOM   2    C CA  . HIS   A 1 2   ? -12.701 -13.672 -11.318 1.00 80.25  ? 8   HIS   B CA  1 
ATOM   3    C C   . HIS   A 1 2   ? -11.622 -12.725 -11.861 1.00 82.86  ? 8   HIS   B C   1 
ATOM   4    O O   . HIS   A 1 2   ? -11.485 -11.603 -11.322 1.00 91.45  ? 8   HIS   B O   1 
ATOM   5    C CB  . HIS   A 1 2   ? -13.935 -13.756 -12.238 1.00 70.81  ? 8   HIS   B CB  1 
ATOM   6    C CG  . HIS   A 1 2   ? -14.465 -12.444 -12.727 1.00 64.71  ? 8   HIS   B CG  1 
ATOM   7    N ND1 . HIS   A 1 2   ? -13.965 -11.813 -13.850 1.00 62.88  ? 8   HIS   B ND1 1 
ATOM   8    C CD2 . HIS   A 1 2   ? -15.475 -11.661 -12.284 1.00 63.37  ? 8   HIS   B CD2 1 
ATOM   9    C CE1 . HIS   A 1 2   ? -14.615 -10.685 -14.055 1.00 61.15  ? 8   HIS   B CE1 1 
ATOM   10   N NE2 . HIS   A 1 2   ? -15.552 -10.570 -13.116 1.00 60.94  ? 8   HIS   B NE2 1 
ATOM   11   N N   . HIS   A 1 3   ? -10.904 -13.163 -12.900 1.00 79.29  ? 9   HIS   B N   1 
ATOM   12   C CA  . HIS   A 1 3   ? -9.794  -12.424 -13.565 1.00 80.85  ? 9   HIS   B CA  1 
ATOM   13   C C   . HIS   A 1 3   ? -9.933  -12.552 -15.095 1.00 70.25  ? 9   HIS   B C   1 
ATOM   14   O O   . HIS   A 1 3   ? -8.903  -12.754 -15.769 1.00 65.13  ? 9   HIS   B O   1 
ATOM   15   C CB  . HIS   A 1 3   ? -8.458  -12.916 -12.977 1.00 87.01  ? 9   HIS   B CB  1 
ATOM   16   C CG  . HIS   A 1 3   ? -8.451  -12.913 -11.479 1.00 97.77  ? 9   HIS   B CG  1 
ATOM   17   N ND1 . HIS   A 1 3   ? -8.307  -11.748 -10.735 1.00 98.22  ? 9   HIS   B ND1 1 
ATOM   18   C CD2 . HIS   A 1 3   ? -8.614  -13.911 -10.581 1.00 101.23 ? 9   HIS   B CD2 1 
ATOM   19   C CE1 . HIS   A 1 3   ? -8.356  -12.035 -9.449  1.00 97.29  ? 9   HIS   B CE1 1 
ATOM   20   N NE2 . HIS   A 1 3   ? -8.543  -13.356 -9.327  1.00 101.80 ? 9   HIS   B NE2 1 
ATOM   21   N N   . HIS   A 1 4   ? -11.171 -12.398 -15.602 1.00 58.02  ? 10  HIS   B N   1 
ATOM   22   C CA  . HIS   A 1 4   ? -11.610 -12.612 -17.015 1.00 50.76  ? 10  HIS   B CA  1 
ATOM   23   C C   . HIS   A 1 4   ? -11.601 -11.296 -17.797 1.00 47.34  ? 10  HIS   B C   1 
ATOM   24   O O   . HIS   A 1 4   ? -11.745 -11.347 -19.042 1.00 40.31  ? 10  HIS   B O   1 
ATOM   25   C CB  . HIS   A 1 4   ? -13.032 -13.199 -17.064 1.00 45.63  ? 10  HIS   B CB  1 
ATOM   26   C CG  . HIS   A 1 4   ? -13.170 -14.544 -16.432 1.00 44.42  ? 10  HIS   B CG  1 
ATOM   27   N ND1 . HIS   A 1 4   ? -12.285 -15.594 -16.692 1.00 42.26  ? 10  HIS   B ND1 1 
ATOM   28   C CD2 . HIS   A 1 4   ? -14.098 -15.031 -15.586 1.00 40.56  ? 10  HIS   B CD2 1 
ATOM   29   C CE1 . HIS   A 1 4   ? -12.671 -16.661 -16.019 1.00 48.01  ? 10  HIS   B CE1 1 
ATOM   30   N NE2 . HIS   A 1 4   ? -13.782 -16.339 -15.333 1.00 45.27  ? 10  HIS   B NE2 1 
ATOM   31   N N   . HIS   A 1 5   ? -11.465 -10.168 -17.087 1.00 45.97  ? 11  HIS   B N   1 
ATOM   32   C CA  . HIS   A 1 5   ? -11.546 -8.779  -17.620 1.00 50.19  ? 11  HIS   B CA  1 
ATOM   33   C C   . HIS   A 1 5   ? -10.661 -8.605  -18.868 1.00 48.29  ? 11  HIS   B C   1 
ATOM   34   O O   . HIS   A 1 5   ? -11.108 -7.887  -19.794 1.00 51.03  ? 11  HIS   B O   1 
ATOM   35   C CB  . HIS   A 1 5   ? -11.209 -7.754  -16.517 1.00 58.30  ? 11  HIS   B CB  1 
ATOM   36   C CG  . HIS   A 1 5   ? -12.079 -7.848  -15.304 1.00 66.82  ? 11  HIS   B CG  1 
ATOM   37   N ND1 . HIS   A 1 5   ? -11.698 -8.554  -14.170 1.00 77.97  ? 11  HIS   B ND1 1 
ATOM   38   C CD2 . HIS   A 1 5   ? -13.303 -7.338  -15.036 1.00 72.07  ? 11  HIS   B CD2 1 
ATOM   39   C CE1 . HIS   A 1 5   ? -12.650 -8.473  -13.258 1.00 78.38  ? 11  HIS   B CE1 1 
ATOM   40   N NE2 . HIS   A 1 5   ? -13.649 -7.737  -13.766 1.00 75.44  ? 11  HIS   B NE2 1 
ATOM   41   N N   . HIS   A 1 6   ? -9.490  -9.262  -18.929 1.00 44.22  ? 12  HIS   B N   1 
ATOM   42   C CA  . HIS   A 1 6   ? -8.508  -9.145  -20.049 1.00 45.45  ? 12  HIS   B CA  1 
ATOM   43   C C   . HIS   A 1 6   ? -8.986  -9.850  -21.335 1.00 42.18  ? 12  HIS   B C   1 
ATOM   44   O O   . HIS   A 1 6   ? -8.337  -9.677  -22.382 1.00 38.97  ? 12  HIS   B O   1 
ATOM   45   C CB  . HIS   A 1 6   ? -7.119  -9.629  -19.607 1.00 54.60  ? 12  HIS   B CB  1 
ATOM   46   C CG  . HIS   A 1 6   ? -7.000  -11.102 -19.430 1.00 57.31  ? 12  HIS   B CG  1 
ATOM   47   N ND1 . HIS   A 1 6   ? -6.333  -11.901 -20.342 1.00 67.65  ? 12  HIS   B ND1 1 
ATOM   48   C CD2 . HIS   A 1 6   ? -7.437  -11.921 -18.450 1.00 62.06  ? 12  HIS   B CD2 1 
ATOM   49   C CE1 . HIS   A 1 6   ? -6.371  -13.155 -19.933 1.00 61.46  ? 12  HIS   B CE1 1 
ATOM   50   N NE2 . HIS   A 1 6   ? -7.041  -13.194 -18.776 1.00 64.27  ? 12  HIS   B NE2 1 
ATOM   51   N N   . HIS   A 1 7   ? -10.078 -10.616 -21.307 1.00 31.92  ? 13  HIS   B N   1 
ATOM   52   C CA  . HIS   A 1 7   ? -10.710 -11.163 -22.545 1.00 27.02  ? 13  HIS   B CA  1 
ATOM   53   C C   . HIS   A 1 7   ? -11.822 -10.234 -23.014 1.00 25.18  ? 13  HIS   B C   1 
ATOM   54   O O   . HIS   A 1 7   ? -12.720 -10.692 -23.764 1.00 20.93  ? 13  HIS   B O   1 
ATOM   55   C CB  . HIS   A 1 7   ? -11.263 -12.551 -22.290 1.00 25.44  ? 13  HIS   B CB  1 
ATOM   56   C CG  . HIS   A 1 7   ? -10.203 -13.486 -21.835 1.00 26.82  ? 13  HIS   B CG  1 
ATOM   57   N ND1 . HIS   A 1 7   ? -9.151  -13.821 -22.680 1.00 27.37  ? 13  HIS   B ND1 1 
ATOM   58   C CD2 . HIS   A 1 7   ? -10.017 -14.125 -20.660 1.00 28.13  ? 13  HIS   B CD2 1 
ATOM   59   C CE1 . HIS   A 1 7   ? -8.361  -14.663 -22.036 1.00 27.12  ? 13  HIS   B CE1 1 
ATOM   60   N NE2 . HIS   A 1 7   ? -8.845  -14.857 -20.797 1.00 30.38  ? 13  HIS   B NE2 1 
ATOM   61   N N   . MET   A 1 8   ? -11.804 -8.991  -22.553 1.00 25.50  ? 14  MET   B N   1 
ATOM   62   C CA  . MET   A 1 8   ? -12.865 -7.997  -22.867 1.00 28.74  ? 14  MET   B CA  1 
ATOM   63   C C   . MET   A 1 8   ? -13.004 -7.835  -24.394 1.00 28.00  ? 14  MET   B C   1 
ATOM   64   O O   . MET   A 1 8   ? -11.989 -7.718  -25.127 1.00 29.03  ? 14  MET   B O   1 
ATOM   65   C CB  . MET   A 1 8   ? -12.526 -6.662  -22.191 1.00 34.71  ? 14  MET   B CB  1 
ATOM   66   C CG  . MET   A 1 8   ? -13.528 -5.529  -22.437 1.00 44.51  ? 14  MET   B CG  1 
ATOM   67   S SD  . MET   A 1 8   ? -15.114 -5.707  -21.521 1.00 53.91  ? 14  MET   B SD  1 
ATOM   68   C CE  . MET   A 1 8   ? -14.618 -5.139  -19.891 1.00 43.71  ? 14  MET   B CE  1 
ATOM   69   N N   . VAL   A 1 9   ? -14.245 -7.817  -24.894 1.00 21.89  ? 15  VAL   B N   1 
ATOM   70   C CA  . VAL   A 1 9   ? -14.589 -7.616  -26.327 1.00 22.27  ? 15  VAL   B CA  1 
ATOM   71   C C   . VAL   A 1 9   ? -15.569 -6.425  -26.409 1.00 24.32  ? 15  VAL   B C   1 
ATOM   72   O O   . VAL   A 1 9   ? -16.388 -6.212  -25.481 1.00 22.79  ? 15  VAL   B O   1 
ATOM   73   C CB  . VAL   A 1 9   ? -15.149 -8.883  -26.999 1.00 24.23  ? 15  VAL   B CB  1 
ATOM   74   C CG1 . VAL   A 1 9   ? -14.062 -9.936  -27.176 1.00 26.46  ? 15  VAL   B CG1 1 
ATOM   75   C CG2 . VAL   A 1 9   ? -16.318 -9.477  -26.249 1.00 24.49  ? 15  VAL   B CG2 1 
ATOM   76   N N   . HIS   A 1 10  ? -15.492 -5.666  -27.497 1.00 22.90  ? 16  HIS   B N   1 
ATOM   77   C CA  . HIS   A 1 10  ? -16.367 -4.493  -27.716 1.00 23.48  ? 16  HIS   B CA  1 
ATOM   78   C C   . HIS   A 1 10  ? -17.617 -4.989  -28.459 1.00 22.71  ? 16  HIS   B C   1 
ATOM   79   O O   . HIS   A 1 10  ? -17.532 -5.366  -29.626 1.00 26.40  ? 16  HIS   B O   1 
ATOM   80   C CB  . HIS   A 1 10  ? -15.656 -3.423  -28.536 1.00 24.33  ? 16  HIS   B CB  1 
ATOM   81   C CG  . HIS   A 1 10  ? -16.421 -2.149  -28.714 1.00 27.76  ? 16  HIS   B CG  1 
ATOM   82   N ND1 . HIS   A 1 10  ? -16.514 -1.201  -27.723 1.00 31.21  ? 16  HIS   B ND1 1 
ATOM   83   C CD2 . HIS   A 1 10  ? -17.124 -1.678  -29.772 1.00 31.25  ? 16  HIS   B CD2 1 
ATOM   84   C CE1 . HIS   A 1 10  ? -17.261 -0.177  -28.155 1.00 28.49  ? 16  HIS   B CE1 1 
ATOM   85   N NE2 . HIS   A 1 10  ? -17.652 -0.457  -29.424 1.00 32.68  ? 16  HIS   B NE2 1 
ATOM   86   N N   . ILE   A 1 11  ? -18.728 -5.125  -27.761 1.00 18.20  ? 17  ILE   B N   1 
ATOM   87   C CA  . ILE   A 1 11  ? -19.963 -5.653  -28.375 1.00 19.20  ? 17  ILE   B CA  1 
ATOM   88   C C   . ILE   A 1 11  ? -20.782 -4.468  -28.912 1.00 18.69  ? 17  ILE   B C   1 
ATOM   89   O O   . ILE   A 1 11  ? -20.830 -3.429  -28.261 1.00 19.08  ? 17  ILE   B O   1 
ATOM   90   C CB  . ILE   A 1 11  ? -20.766 -6.454  -27.329 1.00 18.52  ? 17  ILE   B CB  1 
ATOM   91   C CG1 . ILE   A 1 11  ? -19.976 -7.652  -26.781 1.00 18.92  ? 17  ILE   B CG1 1 
ATOM   92   C CG2 . ILE   A 1 11  ? -22.114 -6.856  -27.919 1.00 16.74  ? 17  ILE   B CG2 1 
ATOM   93   C CD1 . ILE   A 1 11  ? -19.421 -8.597  -27.839 1.00 18.53  ? 17  ILE   B CD1 1 
ATOM   94   N N   . THR   A 1 12  ? -21.409 -4.666  -30.052 1.00 17.86  ? 18  THR   B N   1 
ATOM   95   C CA  . THR   A 1 12  ? -22.390 -3.694  -30.596 1.00 19.05  ? 18  THR   B CA  1 
ATOM   96   C C   . THR   A 1 12  ? -23.673 -4.453  -30.939 1.00 18.77  ? 18  THR   B C   1 
ATOM   97   O O   . THR   A 1 12  ? -23.630 -5.670  -31.224 1.00 19.66  ? 18  THR   B O   1 
ATOM   98   C CB  . THR   A 1 12  ? -21.808 -2.946  -31.799 1.00 20.77  ? 18  THR   B CB  1 
ATOM   99   O OG1 . THR   A 1 12  ? -21.445 -3.856  -32.824 1.00 21.76  ? 18  THR   B OG1 1 
ATOM   100  C CG2 . THR   A 1 12  ? -20.605 -2.097  -31.438 1.00 23.60  ? 18  THR   B CG2 1 
ATOM   101  N N   . LEU   A 1 13  ? -24.804 -3.753  -30.933 1.00 17.43  ? 19  LEU   B N   1 
ATOM   102  C CA  . LEU   A 1 13  ? -26.103 -4.379  -31.212 1.00 17.54  ? 19  LEU   B CA  1 
ATOM   103  C C   . LEU   A 1 13  ? -26.384 -4.386  -32.715 1.00 17.73  ? 19  LEU   B C   1 
ATOM   104  O O   . LEU   A 1 13  ? -26.084 -3.367  -33.401 1.00 20.18  ? 19  LEU   B O   1 
ATOM   105  C CB  . LEU   A 1 13  ? -27.159 -3.651  -30.391 1.00 17.13  ? 19  LEU   B CB  1 
ATOM   106  C CG  . LEU   A 1 13  ? -26.947 -3.692  -28.888 1.00 18.73  ? 19  LEU   B CG  1 
ATOM   107  C CD1 . LEU   A 1 13  ? -27.902 -2.778  -28.141 1.00 20.22  ? 19  LEU   B CD1 1 
ATOM   108  C CD2 . LEU   A 1 13  ? -27.029 -5.124  -28.358 1.00 20.39  ? 19  LEU   B CD2 1 
ATOM   109  N N   . ASP   A 1 14  ? -27.026 -5.423  -33.189 1.00 16.53  ? 20  ASP   B N   1 
ATOM   110  C CA  . ASP   A 1 14  ? -27.376 -5.597  -34.611 1.00 16.58  ? 20  ASP   B CA  1 
ATOM   111  C C   . ASP   A 1 14  ? -28.863 -5.194  -34.760 1.00 18.05  ? 20  ASP   B C   1 
ATOM   112  O O   . ASP   A 1 14  ? -29.741 -5.985  -34.432 1.00 16.45  ? 20  ASP   B O   1 
ATOM   113  C CB  . ASP   A 1 14  ? -27.083 -7.015  -35.100 1.00 16.27  ? 20  ASP   B CB  1 
ATOM   114  C CG  . ASP   A 1 14  ? -27.409 -7.303  -36.556 1.00 22.24  ? 20  ASP   B CG  1 
ATOM   115  O OD1 . ASP   A 1 14  ? -28.072 -6.455  -37.173 1.00 22.21  ? 20  ASP   B OD1 1 
ATOM   116  O OD2 . ASP   A 1 14  ? -27.033 -8.394  -37.052 1.00 22.62  ? 20  ASP   B OD2 1 
ATOM   117  N N   A ARG   A 1 15  ? -29.090 -3.964  -35.254 0.25 18.72  ? 21  ARG   B N   1 
ATOM   118  N N   B ARG   A 1 15  ? -29.117 -3.979  -35.261 0.25 19.59  ? 21  ARG   B N   1 
ATOM   119  C CA  A ARG   A 1 15  ? -30.410 -3.345  -35.572 0.25 20.34  ? 21  ARG   B CA  1 
ATOM   120  C CA  B ARG   A 1 15  ? -30.478 -3.406  -35.452 0.25 21.66  ? 21  ARG   B CA  1 
ATOM   121  C C   A ARG   A 1 15  ? -31.330 -4.320  -36.306 0.25 18.90  ? 21  ARG   B C   1 
ATOM   122  C C   B ARG   A 1 15  ? -31.355 -4.326  -36.310 0.25 19.71  ? 21  ARG   B C   1 
ATOM   123  O O   A ARG   A 1 15  ? -32.539 -4.325  -36.021 0.25 18.42  ? 21  ARG   B O   1 
ATOM   124  O O   B ARG   A 1 15  ? -32.576 -4.326  -36.092 0.25 18.92  ? 21  ARG   B O   1 
ATOM   125  C CB  A ARG   A 1 15  ? -30.227 -2.139  -36.506 0.25 21.25  ? 21  ARG   B CB  1 
ATOM   126  C CB  B ARG   A 1 15  ? -30.384 -2.029  -36.122 0.25 24.47  ? 21  ARG   B CB  1 
ATOM   127  C CG  A ARG   A 1 15  ? -29.296 -1.061  -35.973 0.25 23.26  ? 21  ARG   B CG  1 
ATOM   128  C CG  B ARG   A 1 15  ? -29.857 -0.919  -35.227 0.25 27.70  ? 21  ARG   B CG  1 
ATOM   129  C CD  A ARG   A 1 15  ? -29.334 0.255   -36.746 0.25 23.64  ? 21  ARG   B CD  1 
ATOM   130  C CD  B ARG   A 1 15  ? -28.382 -0.613  -35.462 0.25 32.21  ? 21  ARG   B CD  1 
ATOM   131  N NE  A ARG   A 1 15  ? -28.789 1.314   -35.908 0.25 22.83  ? 21  ARG   B NE  1 
ATOM   132  N NE  B ARG   A 1 15  ? -28.122 0.379   -36.510 0.25 33.87  ? 21  ARG   B NE  1 
ATOM   133  C CZ  A ARG   A 1 15  ? -29.475 1.860   -34.921 0.25 21.21  ? 21  ARG   B CZ  1 
ATOM   134  C CZ  B ARG   A 1 15  ? -27.691 0.113   -37.746 0.25 35.95  ? 21  ARG   B CZ  1 
ATOM   135  N NH1 A ARG   A 1 15  ? -30.709 1.449   -34.710 0.25 22.25  ? 21  ARG   B NH1 1 
ATOM   136  N NH1 B ARG   A 1 15  ? -27.443 -1.125  -38.134 0.25 38.24  ? 21  ARG   B NH1 1 
ATOM   137  N NH2 A ARG   A 1 15  ? -28.942 2.788   -34.151 0.25 22.82  ? 21  ARG   B NH2 1 
ATOM   138  N NH2 B ARG   A 1 15  ? -27.497 1.103   -38.596 0.25 37.00  ? 21  ARG   B NH2 1 
ATOM   139  N N   . ASN   A 1 16  ? -30.778 -5.072  -37.258 1.00 19.26  ? 22  ASN   B N   1 
ATOM   140  C CA  . ASN   A 1 16  ? -31.567 -5.921  -38.173 1.00 20.53  ? 22  ASN   B CA  1 
ATOM   141  C C   . ASN   A 1 16  ? -32.201 -7.095  -37.431 1.00 17.91  ? 22  ASN   B C   1 
ATOM   142  O O   . ASN   A 1 16  ? -33.212 -7.581  -37.903 1.00 18.29  ? 22  ASN   B O   1 
ATOM   143  C CB  . ASN   A 1 16  ? -30.719 -6.378  -39.353 1.00 24.32  ? 22  ASN   B CB  1 
ATOM   144  C CG  . ASN   A 1 16  ? -30.429 -5.235  -40.304 1.00 31.09  ? 22  ASN   B CG  1 
ATOM   145  O OD1 . ASN   A 1 16  ? -31.187 -4.272  -40.376 1.00 37.07  ? 22  ASN   B OD1 1 
ATOM   146  N ND2 . ASN   A 1 16  ? -29.332 -5.340  -41.028 1.00 40.40  ? 22  ASN   B ND2 1 
ATOM   147  N N   . THR   A 1 17  ? -31.646 -7.500  -36.270 1.00 16.28  ? 23  THR   B N   1 
ATOM   148  C CA  . THR   A 1 17  ? -32.189 -8.607  -35.457 1.00 16.43  ? 23  THR   B CA  1 
ATOM   149  C C   . THR   A 1 17  ? -33.203 -8.101  -34.439 1.00 15.36  ? 23  THR   B C   1 
ATOM   150  O O   . THR   A 1 17  ? -33.887 -8.928  -33.849 1.00 15.72  ? 23  THR   B O   1 
ATOM   151  C CB  . THR   A 1 17  ? -31.100 -9.412  -34.733 1.00 15.96  ? 23  THR   B CB  1 
ATOM   152  O OG1 . THR   A 1 17  ? -30.557 -8.569  -33.717 1.00 15.61  ? 23  THR   B OG1 1 
ATOM   153  C CG2 . THR   A 1 17  ? -30.060 -9.923  -35.706 1.00 17.15  ? 23  THR   B CG2 1 
ATOM   154  N N   . ALA   A 1 18  ? -33.340 -6.798  -34.252 1.00 15.74  ? 24  ALA   B N   1 
ATOM   155  C CA  . ALA   A 1 18  ? -34.144 -6.275  -33.132 1.00 14.58  ? 24  ALA   B CA  1 
ATOM   156  C C   . ALA   A 1 18  ? -35.646 -6.451  -33.402 1.00 15.85  ? 24  ALA   B C   1 
ATOM   157  O O   . ALA   A 1 18  ? -36.127 -6.187  -34.521 1.00 16.44  ? 24  ALA   B O   1 
ATOM   158  C CB  . ALA   A 1 18  ? -33.808 -4.840  -32.912 1.00 16.61  ? 24  ALA   B CB  1 
ATOM   159  N N   . ASN   A 1 19  ? -36.400 -6.769  -32.374 1.00 15.22  ? 25  ASN   B N   1 
ATOM   160  C CA  . ASN   A 1 19  ? -37.857 -6.570  -32.364 1.00 15.48  ? 25  ASN   B CA  1 
ATOM   161  C C   . ASN   A 1 19  ? -38.140 -5.125  -32.811 1.00 15.77  ? 25  ASN   B C   1 
ATOM   162  O O   . ASN   A 1 19  ? -37.414 -4.184  -32.452 1.00 15.39  ? 25  ASN   B O   1 
ATOM   163  C CB  . ASN   A 1 19  ? -38.377 -6.893  -30.979 1.00 15.34  ? 25  ASN   B CB  1 
ATOM   164  C CG  . ASN   A 1 19  ? -39.856 -6.664  -30.897 1.00 18.14  ? 25  ASN   B CG  1 
ATOM   165  O OD1 . ASN   A 1 19  ? -40.295 -5.556  -30.644 1.00 17.33  ? 25  ASN   B OD1 1 
ATOM   166  N ND2 . ASN   A 1 19  ? -40.633 -7.675  -31.199 1.00 21.04  ? 25  ASN   B ND2 1 
ATOM   167  N N   . SER   A 1 20  ? -39.207 -4.965  -33.549 1.00 15.21  ? 26  SER   B N   1 
ATOM   168  C CA  . SER   A 1 20  ? -39.511 -3.683  -34.232 1.00 16.67  ? 26  SER   B CA  1 
ATOM   169  C C   . SER   A 1 20  ? -39.914 -2.597  -33.246 1.00 17.15  ? 26  SER   B C   1 
ATOM   170  O O   . SER   A 1 20  ? -40.031 -1.438  -33.723 1.00 19.73  ? 26  SER   B O   1 
ATOM   171  C CB  . SER   A 1 20  ? -40.580 -3.918  -35.276 1.00 18.73  ? 26  SER   B CB  1 
ATOM   172  O OG  . SER   A 1 20  ? -41.772 -4.346  -34.616 1.00 22.37  ? 26  SER   B OG  1 
ATOM   173  N N   . TRP   A 1 21  ? -40.102 -2.863  -31.955 1.00 16.15  ? 27  TRP   B N   1 
ATOM   174  C CA  . TRP   A 1 21  ? -40.414 -1.866  -30.909 1.00 16.89  ? 27  TRP   B CA  1 
ATOM   175  C C   . TRP   A 1 21  ? -39.166 -1.363  -30.209 1.00 16.94  ? 27  TRP   B C   1 
ATOM   176  O O   . TRP   A 1 21  ? -39.282 -0.435  -29.394 1.00 17.07  ? 27  TRP   B O   1 
ATOM   177  C CB  . TRP   A 1 21  ? -41.410 -2.446  -29.949 1.00 19.23  ? 27  TRP   B CB  1 
ATOM   178  C CG  . TRP   A 1 21  ? -42.790 -2.516  -30.533 1.00 19.14  ? 27  TRP   B CG  1 
ATOM   179  C CD1 . TRP   A 1 21  ? -43.170 -3.005  -31.758 1.00 19.19  ? 27  TRP   B CD1 1 
ATOM   180  C CD2 . TRP   A 1 21  ? -43.994 -2.043  -29.899 1.00 22.40  ? 27  TRP   B CD2 1 
ATOM   181  N NE1 . TRP   A 1 21  ? -44.535 -2.895  -31.921 1.00 23.89  ? 27  TRP   B NE1 1 
ATOM   182  C CE2 . TRP   A 1 21  ? -45.057 -2.300  -30.802 1.00 21.06  ? 27  TRP   B CE2 1 
ATOM   183  C CE3 . TRP   A 1 21  ? -44.258 -1.407  -28.688 1.00 23.67  ? 27  TRP   B CE3 1 
ATOM   184  C CZ2 . TRP   A 1 21  ? -46.385 -1.972  -30.483 1.00 25.52  ? 27  TRP   B CZ2 1 
ATOM   185  C CZ3 . TRP   A 1 21  ? -45.577 -1.072  -28.384 1.00 24.69  ? 27  TRP   B CZ3 1 
ATOM   186  C CH2 . TRP   A 1 21  ? -46.607 -1.398  -29.250 1.00 27.15  ? 27  TRP   B CH2 1 
ATOM   187  N N   . LEU   A 1 22  ? -37.980 -1.934  -30.524 1.00 16.22  ? 28  LEU   B N   1 
ATOM   188  C CA  . LEU   A 1 22  ? -36.753 -1.517  -29.820 1.00 14.82  ? 28  LEU   B CA  1 
ATOM   189  C C   . LEU   A 1 22  ? -36.140 -0.268  -30.469 1.00 15.51  ? 28  LEU   B C   1 
ATOM   190  O O   . LEU   A 1 22  ? -36.169 -0.112  -31.710 1.00 16.12  ? 28  LEU   B O   1 
ATOM   191  C CB  . LEU   A 1 22  ? -35.731 -2.658  -29.827 1.00 13.73  ? 28  LEU   B CB  1 
ATOM   192  C CG  . LEU   A 1 22  ? -36.181 -3.910  -29.081 1.00 16.17  ? 28  LEU   B CG  1 
ATOM   193  C CD1 . LEU   A 1 22  ? -35.077 -4.960  -29.040 1.00 15.79  ? 28  LEU   B CD1 1 
ATOM   194  C CD2 . LEU   A 1 22  ? -36.635 -3.634  -27.682 1.00 16.64  ? 28  LEU   B CD2 1 
ATOM   195  N N   . ILE   A 1 23  ? -35.528 0.517   -29.612 1.00 15.80  ? 29  ILE   B N   1 
ATOM   196  C CA  . ILE   A 1 23  ? -34.728 1.711   -29.994 1.00 15.38  ? 29  ILE   B CA  1 
ATOM   197  C C   . ILE   A 1 23  ? -33.283 1.481   -29.567 1.00 15.73  ? 29  ILE   B C   1 
ATOM   198  O O   . ILE   A 1 23  ? -33.011 1.398   -28.360 1.00 15.32  ? 29  ILE   B O   1 
ATOM   199  C CB  . ILE   A 1 23  ? -35.281 2.996   -29.383 1.00 16.41  ? 29  ILE   B CB  1 
ATOM   200  C CG1 . ILE   A 1 23  ? -36.761 3.235   -29.761 1.00 16.63  ? 29  ILE   B CG1 1 
ATOM   201  C CG2 . ILE   A 1 23  ? -34.400 4.196   -29.808 1.00 17.63  ? 29  ILE   B CG2 1 
ATOM   202  C CD1 . ILE   A 1 23  ? -37.420 4.328   -29.025 1.00 18.98  ? 29  ILE   B CD1 1 
ATOM   203  N N   . ILE   A 1 24  ? -32.422 1.359   -30.565 1.00 18.42  ? 30  ILE   B N   1 
ATOM   204  C CA  . ILE   A 1 24  ? -30.961 1.164   -30.379 1.00 19.40  ? 30  ILE   B CA  1 
ATOM   205  C C   . ILE   A 1 24  ? -30.291 2.509   -30.597 1.00 19.36  ? 30  ILE   B C   1 
ATOM   206  O O   . ILE   A 1 24  ? -30.582 3.205   -31.617 1.00 20.37  ? 30  ILE   B O   1 
ATOM   207  C CB  . ILE   A 1 24  ? -30.448 0.080   -31.316 1.00 19.06  ? 30  ILE   B CB  1 
ATOM   208  C CG1 . ILE   A 1 24  ? -30.980 -1.289  -30.899 1.00 22.51  ? 30  ILE   B CG1 1 
ATOM   209  C CG2 . ILE   A 1 24  ? -28.926 0.073   -31.326 1.00 19.33  ? 30  ILE   B CG2 1 
ATOM   210  C CD1 . ILE   A 1 24  ? -30.767 -2.275  -31.875 1.00 25.37  ? 30  ILE   B CD1 1 
ATOM   211  N N   . SER   A 1 25  ? -29.407 2.867   -29.689 1.00 18.28  ? 31  SER   B N   1 
ATOM   212  C CA  . SER   A 1 25  ? -28.696 4.158   -29.711 1.00 17.85  ? 31  SER   B CA  1 
ATOM   213  C C   . SER   A 1 25  ? -27.766 4.216   -30.939 1.00 17.95  ? 31  SER   B C   1 
ATOM   214  O O   . SER   A 1 25  ? -27.441 3.197   -31.522 1.00 18.00  ? 31  SER   B O   1 
ATOM   215  C CB  . SER   A 1 25  ? -27.952 4.340   -28.422 1.00 19.25  ? 31  SER   B CB  1 
ATOM   216  O OG  . SER   A 1 25  ? -26.989 3.303   -28.296 1.00 19.51  ? 31  SER   B OG  1 
ATOM   217  N N   . LYS   A 1 26  ? -27.409 5.432   -31.351 1.00 21.99  ? 32  LYS   B N   1 
ATOM   218  C CA  . LYS   A 1 26  ? -26.517 5.701   -32.512 1.00 22.93  ? 32  LYS   B CA  1 
ATOM   219  C C   . LYS   A 1 26  ? -25.218 4.892   -32.410 1.00 19.72  ? 32  LYS   B C   1 
ATOM   220  O O   . LYS   A 1 26  ? -24.744 4.438   -33.438 1.00 23.08  ? 32  LYS   B O   1 
ATOM   221  C CB  . LYS   A 1 26  ? -26.232 7.216   -32.499 1.00 25.77  ? 32  LYS   B CB  1 
ATOM   222  C CG  . LYS   A 1 26  ? -25.266 7.715   -33.544 1.00 31.79  ? 32  LYS   B CG  1 
ATOM   223  C CD  . LYS   A 1 26  ? -25.427 9.214   -33.665 1.00 28.66  ? 32  LYS   B CD  1 
ATOM   224  C CE  . LYS   A 1 26  ? -25.323 9.937   -32.341 1.00 32.27  ? 32  LYS   B CE  1 
ATOM   225  N NZ  . LYS   A 1 26  ? -25.422 11.395  -32.582 1.00 36.07  ? 32  LYS   B NZ  1 
ATOM   226  N N   . ASP   A 1 27  ? -24.654 4.785   -31.215 1.00 20.99  ? 33  ASP   B N   1 
ATOM   227  C CA  . ASP   A 1 27  ? -23.363 4.068   -31.003 1.00 21.64  ? 33  ASP   B CA  1 
ATOM   228  C C   . ASP   A 1 27  ? -23.579 2.546   -30.973 1.00 19.89  ? 33  ASP   B C   1 
ATOM   229  O O   . ASP   A 1 27  ? -22.569 1.811   -30.829 1.00 19.24  ? 33  ASP   B O   1 
ATOM   230  C CB  . ASP   A 1 27  ? -22.649 4.569   -29.757 1.00 21.63  ? 33  ASP   B CB  1 
ATOM   231  C CG  . ASP   A 1 27  ? -23.296 4.303   -28.416 1.00 22.38  ? 33  ASP   B CG  1 
ATOM   232  O OD1 . ASP   A 1 27  ? -24.404 3.684   -28.374 1.00 21.41  ? 33  ASP   B OD1 1 
ATOM   233  O OD2 . ASP   A 1 27  ? -22.714 4.740   -27.423 1.00 25.68  ? 33  ASP   B OD2 1 
ATOM   234  N N   . ARG   A 1 28  ? -24.818 2.092   -31.007 1.00 18.57  ? 34  ARG   B N   1 
ATOM   235  C CA  . ARG   A 1 28  ? -25.163 0.647   -31.026 1.00 17.31  ? 34  ARG   B CA  1 
ATOM   236  C C   . ARG   A 1 28  ? -24.725 -0.012  -29.701 1.00 15.70  ? 34  ARG   B C   1 
ATOM   237  O O   . ARG   A 1 28  ? -24.556 -1.245  -29.667 1.00 16.45  ? 34  ARG   B O   1 
ATOM   238  C CB  . ARG   A 1 28  ? -24.630 -0.054  -32.281 1.00 21.75  ? 34  ARG   B CB  1 
ATOM   239  C CG  . ARG   A 1 28  ? -25.206 0.545   -33.562 1.00 27.76  ? 34  ARG   B CG  1 
ATOM   240  C CD  . ARG   A 1 28  ? -24.835 -0.133  -34.851 1.00 37.72  ? 34  ARG   B CD  1 
ATOM   241  N NE  . ARG   A 1 28  ? -23.419 -0.413  -35.014 1.00 48.24  ? 34  ARG   B NE  1 
ATOM   242  C CZ  . ARG   A 1 28  ? -22.831 -1.629  -34.956 1.00 66.65  ? 34  ARG   B CZ  1 
ATOM   243  N NH1 . ARG   A 1 28  ? -23.525 -2.743  -34.715 1.00 61.24  ? 34  ARG   B NH1 1 
ATOM   244  N NH2 . ARG   A 1 28  ? -21.520 -1.720  -35.147 1.00 68.91  ? 34  ARG   B NH2 1 
ATOM   245  N N   . ARG   A 1 29  ? -24.688 0.728   -28.606 1.00 14.68  ? 35  ARG   B N   1 
ATOM   246  C CA  . ARG   A 1 29  ? -24.305 0.183   -27.287 1.00 17.80  ? 35  ARG   B CA  1 
ATOM   247  C C   . ARG   A 1 29  ? -25.447 0.192   -26.281 1.00 17.69  ? 35  ARG   B C   1 
ATOM   248  O O   . ARG   A 1 29  ? -25.236 -0.318  -25.174 1.00 18.54  ? 35  ARG   B O   1 
ATOM   249  C CB  . ARG   A 1 29  ? -23.137 0.965   -26.687 1.00 18.15  ? 35  ARG   B CB  1 
ATOM   250  C CG  . ARG   A 1 29  ? -21.909 0.911   -27.585 1.00 20.52  ? 35  ARG   B CG  1 
ATOM   251  C CD  . ARG   A 1 29  ? -21.023 -0.277  -27.352 1.00 21.43  ? 35  ARG   B CD  1 
ATOM   252  N NE  . ARG   A 1 29  ? -20.283 -0.097  -26.103 1.00 23.25  ? 35  ARG   B NE  1 
ATOM   253  C CZ  . ARG   A 1 29  ? -19.548 -1.041  -25.534 1.00 22.23  ? 35  ARG   B CZ  1 
ATOM   254  N NH1 . ARG   A 1 29  ? -19.423 -2.203  -26.134 1.00 22.82  ? 35  ARG   B NH1 1 
ATOM   255  N NH2 . ARG   A 1 29  ? -18.910 -0.779  -24.407 1.00 22.60  ? 35  ARG   B NH2 1 
ATOM   256  N N   . GLN   A 1 30  ? -26.600 0.793   -26.594 1.00 15.84  ? 36  GLN   B N   1 
ATOM   257  C CA  . GLN   A 1 30  ? -27.756 0.869   -25.662 1.00 15.45  ? 36  GLN   B CA  1 
ATOM   258  C C   . GLN   A 1 30  ? -29.030 0.476   -26.402 1.00 15.53  ? 36  GLN   B C   1 
ATOM   259  O O   . GLN   A 1 30  ? -29.140 0.719   -27.643 1.00 15.58  ? 36  GLN   B O   1 
ATOM   260  C CB  . GLN   A 1 30  ? -27.962 2.264   -25.051 1.00 18.27  ? 36  GLN   B CB  1 
ATOM   261  C CG  . GLN   A 1 30  ? -26.702 2.874   -24.487 1.00 21.39  ? 36  GLN   B CG  1 
ATOM   262  C CD  . GLN   A 1 30  ? -27.054 4.111   -23.693 1.00 25.67  ? 36  GLN   B CD  1 
ATOM   263  O OE1 . GLN   A 1 30  ? -28.201 4.317   -23.279 1.00 27.11  ? 36  GLN   B OE1 1 
ATOM   264  N NE2 . GLN   A 1 30  ? -26.048 4.914   -23.446 1.00 29.54  ? 36  GLN   B NE2 1 
ATOM   265  N N   . VAL   A 1 31  ? -29.956 -0.142  -25.691 1.00 14.85  ? 37  VAL   B N   1 
ATOM   266  C CA  . VAL   A 1 31  ? -31.258 -0.538  -26.287 1.00 15.25  ? 37  VAL   B CA  1 
ATOM   267  C C   . VAL   A 1 31  ? -32.347 -0.360  -25.244 1.00 15.31  ? 37  VAL   B C   1 
ATOM   268  O O   . VAL   A 1 31  ? -32.135 -0.707  -24.088 1.00 14.76  ? 37  VAL   B O   1 
ATOM   269  C CB  . VAL   A 1 31  ? -31.228 -1.942  -26.882 1.00 14.17  ? 37  VAL   B CB  1 
ATOM   270  C CG1 . VAL   A 1 31  ? -30.801 -3.024  -25.869 1.00 14.04  ? 37  VAL   B CG1 1 
ATOM   271  C CG2 . VAL   A 1 31  ? -32.577 -2.294  -27.525 1.00 15.48  ? 37  VAL   B CG2 1 
ATOM   272  N N   . ARG   A 1 32  ? -33.489 0.154   -25.658 1.00 16.63  ? 38  ARG   B N   1 
ATOM   273  C CA  . ARG   A 1 32  ? -34.654 0.257   -24.770 1.00 16.91  ? 38  ARG   B CA  1 
ATOM   274  C C   . ARG   A 1 32  ? -35.922 -0.026  -25.557 1.00 17.77  ? 38  ARG   B C   1 
ATOM   275  O O   . ARG   A 1 32  ? -35.948 0.050   -26.815 1.00 15.62  ? 38  ARG   B O   1 
ATOM   276  C CB  . ARG   A 1 32  ? -34.770 1.619   -24.084 1.00 18.59  ? 38  ARG   B CB  1 
ATOM   277  C CG  . ARG   A 1 32  ? -35.041 2.763   -25.054 1.00 22.09  ? 38  ARG   B CG  1 
ATOM   278  C CD  . ARG   A 1 32  ? -34.890 4.091   -24.324 1.00 25.06  ? 38  ARG   B CD  1 
ATOM   279  N NE  . ARG   A 1 32  ? -35.119 5.213   -25.219 1.00 30.95  ? 38  ARG   B NE  1 
ATOM   280  C CZ  . ARG   A 1 32  ? -36.295 5.738   -25.505 1.00 27.77  ? 38  ARG   B CZ  1 
ATOM   281  N NH1 . ARG   A 1 32  ? -37.410 5.219   -25.040 1.00 30.58  ? 38  ARG   B NH1 1 
ATOM   282  N NH2 . ARG   A 1 32  ? -36.343 6.785   -26.329 1.00 31.51  ? 38  ARG   B NH2 1 
ATOM   283  N N   . MET   A 1 33  ? -36.967 -0.287  -24.780 0.34 18.31  ? 39  MET   B N   1 
ATOM   284  C CA  . MET   A 1 33  ? -38.342 -0.464  -25.283 0.34 19.57  ? 39  MET   B CA  1 
ATOM   285  C C   . MET   A 1 33  ? -38.892 0.884   -25.747 0.34 19.20  ? 39  MET   B C   1 
ATOM   286  O O   . MET   A 1 33  ? -38.827 1.869   -24.982 0.34 19.21  ? 39  MET   B O   1 
ATOM   287  C CB  . MET   A 1 33  ? -39.244 -1.045  -24.194 0.34 19.65  ? 39  MET   B CB  1 
ATOM   288  C CG  . MET   A 1 33  ? -40.705 -1.032  -24.583 0.34 19.96  ? 39  MET   B CG  1 
ATOM   289  S SD  . MET   A 1 33  ? -41.167 -2.096  -25.988 0.34 20.59  ? 39  MET   B SD  1 
ATOM   290  C CE  . MET   A 1 33  ? -39.647 -2.671  -26.736 0.34 22.29  ? 39  MET   B CE  1 
ATOM   291  N N   . GLY   A 1 34  ? -39.415 0.927   -26.968 1.00 19.20  ? 40  GLY   B N   1 
ATOM   292  C CA  . GLY   A 1 34  ? -40.146 2.123   -27.412 1.00 19.71  ? 40  GLY   B CA  1 
ATOM   293  C C   . GLY   A 1 34  ? -41.623 2.026   -27.024 1.00 22.48  ? 40  GLY   B C   1 
ATOM   294  O O   . GLY   A 1 34  ? -42.076 0.928   -26.654 1.00 22.15  ? 40  GLY   B O   1 
ATOM   295  N N   . ASP   A 1 35  ? -42.362 3.132   -27.162 1.00 25.81  ? 41  ASP   B N   1 
ATOM   296  C CA  . ASP   A 1 35  ? -43.790 3.120   -26.709 1.00 31.44  ? 41  ASP   B CA  1 
ATOM   297  C C   . ASP   A 1 35  ? -44.678 2.719   -27.914 1.00 32.12  ? 41  ASP   B C   1 
ATOM   298  O O   . ASP   A 1 35  ? -45.915 2.506   -27.736 1.00 31.86  ? 41  ASP   B O   1 
ATOM   299  C CB  . ASP   A 1 35  ? -44.118 4.415   -25.942 1.00 37.38  ? 41  ASP   B CB  1 
ATOM   300  C CG  . ASP   A 1 35  ? -43.827 4.403   -24.425 1.00 48.11  ? 41  ASP   B CG  1 
ATOM   301  O OD1 . ASP   A 1 35  ? -43.695 3.296   -23.801 1.00 47.27  ? 41  ASP   B OD1 1 
ATOM   302  O OD2 . ASP   A 1 35  ? -43.773 5.509   -23.833 1.00 53.42  ? 41  ASP   B OD2 1 
ATOM   303  N N   . THR   A 1 36  ? -44.077 2.397   -29.058 1.00 25.07  ? 42  THR   B N   1 
ATOM   304  C CA  . THR   A 1 36  ? -44.811 1.980   -30.288 1.00 22.23  ? 42  THR   B CA  1 
ATOM   305  C C   . THR   A 1 36  ? -43.870 1.221   -31.228 1.00 19.83  ? 42  THR   B C   1 
ATOM   306  O O   . THR   A 1 36  ? -42.602 1.239   -30.985 1.00 19.63  ? 42  THR   B O   1 
ATOM   307  C CB  . THR   A 1 36  ? -45.383 3.262   -30.895 1.00 21.99  ? 42  THR   B CB  1 
ATOM   308  O OG1 . THR   A 1 36  ? -46.223 2.940   -31.987 1.00 24.89  ? 42  THR   B OG1 1 
ATOM   309  C CG2 . THR   A 1 36  ? -44.283 4.155   -31.408 1.00 22.57  ? 42  THR   B CG2 1 
ATOM   310  N N   . HIS   A 1 37  ? -44.368 0.719   -32.362 1.00 22.11  ? 43  HIS   B N   1 
ATOM   311  C CA  . HIS   A 1 37  ? -43.550 0.244   -33.525 1.00 21.78  ? 43  HIS   B CA  1 
ATOM   312  C C   . HIS   A 1 37  ? -42.592 1.334   -33.960 1.00 22.27  ? 43  HIS   B C   1 
ATOM   313  O O   . HIS   A 1 37  ? -43.053 2.495   -34.192 1.00 21.43  ? 43  HIS   B O   1 
ATOM   314  C CB  . HIS   A 1 37  ? -44.475 -0.227  -34.675 1.00 20.97  ? 43  HIS   B CB  1 
ATOM   315  C CG  . HIS   A 1 37  ? -43.840 -0.874  -35.866 1.00 18.31  ? 43  HIS   B CG  1 
ATOM   316  N ND1 . HIS   A 1 37  ? -43.068 -0.220  -36.787 1.00 18.03  ? 43  HIS   B ND1 1 
ATOM   317  C CD2 . HIS   A 1 37  ? -43.925 -2.156  -36.285 1.00 18.70  ? 43  HIS   B CD2 1 
ATOM   318  C CE1 . HIS   A 1 37  ? -42.715 -1.068  -37.736 1.00 18.83  ? 43  HIS   B CE1 1 
ATOM   319  N NE2 . HIS   A 1 37  ? -43.223 -2.287  -37.436 1.00 18.21  ? 43  HIS   B NE2 1 
ATOM   320  N N   . GLN   A 1 38  ? -41.315 0.996   -34.195 1.00 19.11  ? 44  GLN   B N   1 
ATOM   321  C CA  . GLN   A 1 38  ? -40.274 1.995   -34.518 1.00 18.65  ? 44  GLN   B CA  1 
ATOM   322  C C   . GLN   A 1 38  ? -40.070 2.264   -36.027 1.00 21.39  ? 44  GLN   B C   1 
ATOM   323  O O   . GLN   A 1 38  ? -39.026 2.863   -36.421 1.00 20.62  ? 44  GLN   B O   1 
ATOM   324  C CB  . GLN   A 1 38  ? -38.976 1.613   -33.824 1.00 18.18  ? 44  GLN   B CB  1 
ATOM   325  C CG  . GLN   A 1 38  ? -39.055 1.742   -32.340 1.00 17.56  ? 44  GLN   B CG  1 
ATOM   326  C CD  . GLN   A 1 38  ? -39.570 3.080   -31.872 1.00 18.88  ? 44  GLN   B CD  1 
ATOM   327  O OE1 . GLN   A 1 38  ? -40.525 3.195   -31.078 1.00 20.04  ? 44  GLN   B OE1 1 
ATOM   328  N NE2 . GLN   A 1 38  ? -38.949 4.132   -32.364 1.00 17.04  ? 44  GLN   B NE2 1 
ATOM   329  N N   . ASN   A 1 39  ? -41.041 1.945   -36.851 1.00 20.10  ? 45  ASN   B N   1 
ATOM   330  C CA  . ASN   A 1 39  ? -41.129 2.430   -38.269 1.00 18.39  ? 45  ASN   B CA  1 
ATOM   331  C C   . ASN   A 1 39  ? -40.023 1.816   -39.121 1.00 19.82  ? 45  ASN   B C   1 
ATOM   332  O O   . ASN   A 1 39  ? -39.514 2.453   -40.064 1.00 22.23  ? 45  ASN   B O   1 
ATOM   333  C CB  . ASN   A 1 39  ? -41.246 3.971   -38.376 1.00 18.26  ? 45  ASN   B CB  1 
ATOM   334  C CG  . ASN   A 1 39  ? -41.798 4.402   -39.729 1.00 18.97  ? 45  ASN   B CG  1 
ATOM   335  O OD1 . ASN   A 1 39  ? -42.653 3.720   -40.295 1.00 16.69  ? 45  ASN   B OD1 1 
ATOM   336  N ND2 . ASN   A 1 39  ? -41.330 5.540   -40.275 1.00 16.97  ? 45  ASN   B ND2 1 
ATOM   337  N N   . VAL   A 1 40  ? -39.690 0.553   -38.857 1.00 19.46  ? 46  VAL   B N   1 
ATOM   338  C CA  . VAL   A 1 40  ? -38.729 -0.258  -39.625 1.00 20.87  ? 46  VAL   B CA  1 
ATOM   339  C C   . VAL   A 1 40  ? -39.492 -1.332  -40.417 1.00 18.84  ? 46  VAL   B C   1 
ATOM   340  O O   . VAL   A 1 40  ? -40.582 -1.738  -39.957 1.00 20.10  ? 46  VAL   B O   1 
ATOM   341  C CB  . VAL   A 1 40  ? -37.691 -0.900  -38.689 1.00 21.33  ? 46  VAL   B CB  1 
ATOM   342  C CG1 . VAL   A 1 40  ? -36.823 0.197   -38.068 1.00 24.40  ? 46  VAL   B CG1 1 
ATOM   343  C CG2 . VAL   A 1 40  ? -38.309 -1.770  -37.600 1.00 24.36  ? 46  VAL   B CG2 1 
ATOM   344  N N   . SER   A 1 41  ? -38.902 -1.788  -41.531 1.00 21.18  ? 47  SER   B N   1 
ATOM   345  C CA  . SER   A 1 41  ? -39.388 -2.959  -42.301 1.00 22.08  ? 47  SER   B CA  1 
ATOM   346  C C   . SER   A 1 41  ? -39.212 -4.259  -41.506 1.00 24.07  ? 47  SER   B C   1 
ATOM   347  O O   . SER   A 1 41  ? -38.295 -4.365  -40.695 1.00 20.29  ? 47  SER   B O   1 
ATOM   348  C CB  . SER   A 1 41  ? -38.764 -3.053  -43.674 1.00 26.15  ? 47  SER   B CB  1 
ATOM   349  O OG  . SER   A 1 41  ? -37.371 -3.239  -43.594 1.00 28.02  ? 47  SER   B OG  1 
ATOM   350  N N   . ASP   A 1 42  ? -40.089 -5.226  -41.740 1.00 22.54  ? 48  ASP   B N   1 
ATOM   351  C CA  . ASP   A 1 42  ? -39.950 -6.584  -41.165 1.00 22.16  ? 48  ASP   B CA  1 
ATOM   352  C C   . ASP   A 1 42  ? -38.924 -7.327  -41.988 1.00 23.40  ? 48  ASP   B C   1 
ATOM   353  O O   . ASP   A 1 42  ? -38.669 -6.972  -43.157 1.00 23.91  ? 48  ASP   B O   1 
ATOM   354  C CB  . ASP   A 1 42  ? -41.283 -7.328  -41.111 1.00 24.69  ? 48  ASP   B CB  1 
ATOM   355  C CG  . ASP   A 1 42  ? -41.343 -8.420  -40.034 1.00 29.49  ? 48  ASP   B CG  1 
ATOM   356  O OD1 . ASP   A 1 42  ? -40.401 -8.527  -39.230 1.00 21.43  ? 48  ASP   B OD1 1 
ATOM   357  O OD2 . ASP   A 1 42  ? -42.394 -9.085  -39.920 1.00 37.34  ? 48  ASP   B OD2 1 
ATOM   358  N N   . ASN   A 1 43  ? -38.288 -8.319  -41.352 1.00 20.08  ? 49  ASN   B N   1 
ATOM   359  C CA  . ASN   A 1 43  ? -37.299 -9.193  -42.010 1.00 20.55  ? 49  ASN   B CA  1 
ATOM   360  C C   . ASN   A 1 43  ? -37.264 -10.518 -41.232 1.00 20.75  ? 49  ASN   B C   1 
ATOM   361  O O   . ASN   A 1 43  ? -37.865 -10.590 -40.134 1.00 20.85  ? 49  ASN   B O   1 
ATOM   362  C CB  . ASN   A 1 43  ? -35.960 -8.508  -42.201 1.00 20.17  ? 49  ASN   B CB  1 
ATOM   363  C CG  . ASN   A 1 43  ? -35.217 -8.326  -40.890 1.00 21.14  ? 49  ASN   B CG  1 
ATOM   364  O OD1 . ASN   A 1 43  ? -35.072 -9.283  -40.127 1.00 22.66  ? 49  ASN   B OD1 1 
ATOM   365  N ND2 . ASN   A 1 43  ? -34.832 -7.131  -40.568 1.00 20.56  ? 49  ASN   B ND2 1 
ATOM   366  N N   . LYS   A 1 44  ? -36.628 -11.532 -41.797 1.00 22.82  ? 50  LYS   B N   1 
ATOM   367  C CA  . LYS   A 1 44  ? -36.676 -12.899 -41.228 1.00 24.28  ? 50  LYS   B CA  1 
ATOM   368  C C   . LYS   A 1 44  ? -35.798 -12.968 -39.961 1.00 21.67  ? 50  LYS   B C   1 
ATOM   369  O O   . LYS   A 1 44  ? -35.972 -13.936 -39.187 1.00 22.14  ? 50  LYS   B O   1 
ATOM   370  C CB  . LYS   A 1 44  ? -36.163 -13.903 -42.273 1.00 29.40  ? 50  LYS   B CB  1 
ATOM   371  C CG  . LYS   A 1 44  ? -34.731 -13.656 -42.716 1.00 35.02  ? 50  LYS   B CG  1 
ATOM   372  C CD  . LYS   A 1 44  ? -34.288 -14.467 -43.926 1.00 47.24  ? 50  LYS   B CD  1 
ATOM   373  C CE  . LYS   A 1 44  ? -32.786 -14.653 -43.971 1.00 52.01  ? 50  LYS   B CE  1 
ATOM   374  N NZ  . LYS   A 1 44  ? -32.389 -15.459 -45.151 1.00 58.55  ? 50  LYS   B NZ  1 
ATOM   375  N N   . GLU   A 1 45  ? -34.899 -12.012 -39.766 1.00 20.43  ? 51  GLU   B N   1 
ATOM   376  C CA  . GLU   A 1 45  ? -33.991 -12.006 -38.576 1.00 20.33  ? 51  GLU   B CA  1 
ATOM   377  C C   . GLU   A 1 45  ? -34.730 -11.513 -37.320 1.00 18.62  ? 51  GLU   B C   1 
ATOM   378  O O   . GLU   A 1 45  ? -34.283 -11.829 -36.163 1.00 19.35  ? 51  GLU   B O   1 
ATOM   379  C CB  . GLU   A 1 45  ? -32.793 -11.114 -38.832 1.00 21.86  ? 51  GLU   B CB  1 
ATOM   380  C CG  . GLU   A 1 45  ? -31.858 -11.565 -39.966 1.00 25.63  ? 51  GLU   B CG  1 
ATOM   381  C CD  . GLU   A 1 45  ? -30.636 -10.661 -40.100 1.00 33.85  ? 51  GLU   B CD  1 
ATOM   382  O OE1 . GLU   A 1 45  ? -30.594 -9.866  -41.086 1.00 43.94  ? 51  GLU   B OE1 1 
ATOM   383  O OE2 . GLU   A 1 45  ? -29.735 -10.698 -39.234 1.00 41.82  ? 51  GLU   B OE2 1 
ATOM   384  N N   . ARG   A 1 46  ? -35.723 -10.638 -37.436 1.00 17.74  ? 52  ARG   B N   1 
ATOM   385  C CA  . ARG   A 1 46  ? -36.244 -9.949  -36.237 1.00 16.83  ? 52  ARG   B CA  1 
ATOM   386  C C   . ARG   A 1 46  ? -36.960 -10.885 -35.274 1.00 16.52  ? 52  ARG   B C   1 
ATOM   387  O O   . ARG   A 1 46  ? -37.839 -11.706 -35.682 1.00 18.15  ? 52  ARG   B O   1 
ATOM   388  C CB  . ARG   A 1 46  ? -37.220 -8.816  -36.621 1.00 16.19  ? 52  ARG   B CB  1 
ATOM   389  C CG  . ARG   A 1 46  ? -36.635 -7.691  -37.444 1.00 18.35  ? 52  ARG   B CG  1 
ATOM   390  C CD  . ARG   A 1 46  ? -37.564 -6.457  -37.355 1.00 16.30  ? 52  ARG   B CD  1 
ATOM   391  N NE  . ARG   A 1 46  ? -37.057 -5.436  -38.264 1.00 17.52  ? 52  ARG   B NE  1 
ATOM   392  C CZ  . ARG   A 1 46  ? -35.966 -4.704  -38.049 1.00 18.05  ? 52  ARG   B CZ  1 
ATOM   393  N NH1 . ARG   A 1 46  ? -35.312 -4.737  -36.885 1.00 17.46  ? 52  ARG   B NH1 1 
ATOM   394  N NH2 . ARG   A 1 46  ? -35.510 -3.906  -39.006 1.00 21.76  ? 52  ARG   B NH2 1 
ATOM   395  N N   . PHE   A 1 47  ? -36.686 -10.794 -33.975 1.00 15.28  ? 53  PHE   B N   1 
ATOM   396  C CA  . PHE   A 1 47  ? -37.484 -11.491 -32.974 1.00 14.95  ? 53  PHE   B CA  1 
ATOM   397  C C   . PHE   A 1 47  ? -38.896 -10.886 -33.005 1.00 17.29  ? 53  PHE   B C   1 
ATOM   398  O O   . PHE   A 1 47  ? -39.027 -9.669  -32.760 1.00 17.12  ? 53  PHE   B O   1 
ATOM   399  C CB  . PHE   A 1 47  ? -36.859 -11.395 -31.594 1.00 15.23  ? 53  PHE   B CB  1 
ATOM   400  C CG  . PHE   A 1 47  ? -35.625 -12.256 -31.464 1.00 14.40  ? 53  PHE   B CG  1 
ATOM   401  C CD1 . PHE   A 1 47  ? -35.731 -13.614 -31.183 1.00 15.18  ? 53  PHE   B CD1 1 
ATOM   402  C CD2 . PHE   A 1 47  ? -34.354 -11.713 -31.558 1.00 15.70  ? 53  PHE   B CD2 1 
ATOM   403  C CE1 . PHE   A 1 47  ? -34.590 -14.405 -31.059 1.00 16.52  ? 53  PHE   B CE1 1 
ATOM   404  C CE2 . PHE   A 1 47  ? -33.220 -12.502 -31.397 1.00 15.69  ? 53  PHE   B CE2 1 
ATOM   405  C CZ  . PHE   A 1 47  ? -33.350 -13.852 -31.192 1.00 14.45  ? 53  PHE   B CZ  1 
ATOM   406  N N   . SER   A 1 48  ? -39.914 -11.696 -33.214 1.00 17.56  ? 54  SER   B N   1 
ATOM   407  C CA  . SER   A 1 48  ? -41.287 -11.148 -33.383 1.00 19.15  ? 54  SER   B CA  1 
ATOM   408  C C   . SER   A 1 48  ? -42.044 -11.072 -32.073 1.00 17.28  ? 54  SER   B C   1 
ATOM   409  O O   . SER   A 1 48  ? -42.828 -10.097 -31.913 1.00 21.63  ? 54  SER   B O   1 
ATOM   410  C CB  . SER   A 1 48  ? -42.040 -11.972 -34.405 1.00 20.07  ? 54  SER   B CB  1 
ATOM   411  O OG  . SER   A 1 48  ? -42.173 -13.313 -33.970 1.00 19.92  ? 54  SER   B OG  1 
ATOM   412  N N   . ASN   A 1 49  ? -41.900 -11.999 -31.146 1.00 17.25  ? 55  ASN   B N   1 
ATOM   413  C CA  . ASN   A 1 49  ? -42.817 -12.145 -29.995 1.00 18.71  ? 55  ASN   B CA  1 
ATOM   414  C C   . ASN   A 1 49  ? -42.321 -11.429 -28.742 1.00 17.42  ? 55  ASN   B C   1 
ATOM   415  O O   . ASN   A 1 49  ? -43.091 -11.294 -27.764 1.00 20.60  ? 55  ASN   B O   1 
ATOM   416  C CB  . ASN   A 1 49  ? -43.143 -13.596 -29.688 1.00 18.87  ? 55  ASN   B CB  1 
ATOM   417  C CG  . ASN   A 1 49  ? -44.076 -14.207 -30.728 1.00 22.14  ? 55  ASN   B CG  1 
ATOM   418  O OD1 . ASN   A 1 49  ? -43.917 -14.013 -31.933 1.00 25.13  ? 55  ASN   B OD1 1 
ATOM   419  N ND2 . ASN   A 1 49  ? -45.024 -15.009 -30.252 1.00 27.02  ? 55  ASN   B ND2 1 
ATOM   420  N N   . TYR   A 1 50  ? -41.020 -11.100 -28.704 1.00 16.44  ? 56  TYR   B N   1 
ATOM   421  C CA  . TYR   A 1 50  ? -40.426 -10.629 -27.448 1.00 15.42  ? 56  TYR   B CA  1 
ATOM   422  C C   . TYR   A 1 50  ? -39.471 -9.489  -27.769 1.00 14.21  ? 56  TYR   B C   1 
ATOM   423  O O   . TYR   A 1 50  ? -38.946 -9.415  -28.877 1.00 14.98  ? 56  TYR   B O   1 
ATOM   424  C CB  . TYR   A 1 50  ? -39.612 -11.747 -26.796 1.00 15.51  ? 56  TYR   B CB  1 
ATOM   425  C CG  . TYR   A 1 50  ? -40.320 -13.078 -26.673 1.00 17.28  ? 56  TYR   B CG  1 
ATOM   426  C CD1 . TYR   A 1 50  ? -41.316 -13.275 -25.730 1.00 20.58  ? 56  TYR   B CD1 1 
ATOM   427  C CD2 . TYR   A 1 50  ? -40.025 -14.133 -27.515 1.00 18.57  ? 56  TYR   B CD2 1 
ATOM   428  C CE1 . TYR   A 1 50  ? -41.987 -14.499 -25.620 1.00 23.17  ? 56  TYR   B CE1 1 
ATOM   429  C CE2 . TYR   A 1 50  ? -40.725 -15.337 -27.475 1.00 19.92  ? 56  TYR   B CE2 1 
ATOM   430  C CZ  . TYR   A 1 50  ? -41.680 -15.530 -26.489 1.00 20.76  ? 56  TYR   B CZ  1 
ATOM   431  O OH  . TYR   A 1 50  ? -42.307 -16.754 -26.447 1.00 21.53  ? 56  TYR   B OH  1 
ATOM   432  N N   . PRO   A 1 51  ? -39.171 -8.609  -26.806 1.00 13.66  ? 57  PRO   B N   1 
ATOM   433  C CA  . PRO   A 1 51  ? -38.303 -7.447  -27.053 1.00 14.48  ? 57  PRO   B CA  1 
ATOM   434  C C   . PRO   A 1 51  ? -36.791 -7.764  -27.025 1.00 14.64  ? 57  PRO   B C   1 
ATOM   435  O O   . PRO   A 1 51  ? -36.039 -7.210  -26.233 1.00 14.42  ? 57  PRO   B O   1 
ATOM   436  C CB  . PRO   A 1 51  ? -38.673 -6.444  -25.937 1.00 15.99  ? 57  PRO   B CB  1 
ATOM   437  C CG  . PRO   A 1 51  ? -39.835 -7.058  -25.208 1.00 16.56  ? 57  PRO   B CG  1 
ATOM   438  C CD  . PRO   A 1 51  ? -39.815 -8.515  -25.498 1.00 14.72  ? 57  PRO   B CD  1 
ATOM   439  N N   . MET   A 1 52  ? -36.393 -8.654  -27.944 1.00 14.34  ? 58  MET   B N   1 
ATOM   440  C CA  . MET   A 1 52  ? -35.027 -9.236  -28.014 1.00 13.97  ? 58  MET   B CA  1 
ATOM   441  C C   . MET   A 1 52  ? -34.220 -8.675  -29.177 1.00 14.04  ? 58  MET   B C   1 
ATOM   442  O O   . MET   A 1 52  ? -34.762 -8.184  -30.214 1.00 14.41  ? 58  MET   B O   1 
ATOM   443  C CB  . MET   A 1 52  ? -35.156 -10.757 -28.199 1.00 14.15  ? 58  MET   B CB  1 
ATOM   444  C CG  . MET   A 1 52  ? -35.699 -11.452 -26.994 1.00 13.67  ? 58  MET   B CG  1 
ATOM   445  S SD  . MET   A 1 52  ? -36.217 -13.161 -27.414 1.00 14.54  ? 58  MET   B SD  1 
ATOM   446  C CE  . MET   A 1 52  ? -36.796 -13.746 -25.824 1.00 14.84  ? 58  MET   B CE  1 
ATOM   447  N N   . VAL   A 1 53  ? -32.901 -8.696  -29.008 1.00 13.04  ? 59  VAL   B N   1 
ATOM   448  C CA  . VAL   A 1 53  ? -31.935 -8.260  -30.055 1.00 13.32  ? 59  VAL   B CA  1 
ATOM   449  C C   . VAL   A 1 53  ? -30.638 -9.052  -29.853 1.00 14.31  ? 59  VAL   B C   1 
ATOM   450  O O   . VAL   A 1 53  ? -30.357 -9.461  -28.682 1.00 13.62  ? 59  VAL   B O   1 
ATOM   451  C CB  . VAL   A 1 53  ? -31.744 -6.720  -30.008 1.00 14.27  ? 59  VAL   B CB  1 
ATOM   452  C CG1 . VAL   A 1 53  ? -31.218 -6.255  -28.683 1.00 15.14  ? 59  VAL   B CG1 1 
ATOM   453  C CG2 . VAL   A 1 53  ? -30.853 -6.171  -31.122 1.00 14.61  ? 59  VAL   B CG2 1 
ATOM   454  N N   . LEU   A 1 54  ? -29.862 -9.238  -30.901 1.00 14.21  ? 60  LEU   B N   1 
ATOM   455  C CA  . LEU   A 1 54  ? -28.525 -9.888  -30.846 1.00 13.62  ? 60  LEU   B CA  1 
ATOM   456  C C   . LEU   A 1 54  ? -27.406 -8.882  -30.989 1.00 13.95  ? 60  LEU   B C   1 
ATOM   457  O O   . LEU   A 1 54  ? -27.553 -7.806  -31.657 1.00 15.15  ? 60  LEU   B O   1 
ATOM   458  C CB  . LEU   A 1 54  ? -28.361 -10.935 -31.947 1.00 14.08  ? 60  LEU   B CB  1 
ATOM   459  C CG  . LEU   A 1 54  ? -29.428 -12.017 -31.987 1.00 13.76  ? 60  LEU   B CG  1 
ATOM   460  C CD1 . LEU   A 1 54  ? -29.109 -13.107 -32.988 1.00 15.44  ? 60  LEU   B CD1 1 
ATOM   461  C CD2 . LEU   A 1 54  ? -29.698 -12.653 -30.609 1.00 14.47  ? 60  LEU   B CD2 1 
ATOM   462  N N   . GLY   A 1 55  ? -26.264 -9.210  -30.411 1.00 14.27  ? 61  GLY   B N   1 
ATOM   463  C CA  . GLY   A 1 55  ? -25.017 -8.524  -30.772 1.00 14.06  ? 61  GLY   B CA  1 
ATOM   464  C C   . GLY   A 1 55  ? -24.645 -8.845  -32.219 1.00 14.55  ? 61  GLY   B C   1 
ATOM   465  O O   . GLY   A 1 55  ? -25.001 -9.931  -32.728 1.00 15.80  ? 61  GLY   B O   1 
ATOM   466  N N   . ALA   A 1 56  ? -23.871 -7.971  -32.813 1.00 16.12  ? 62  ALA   B N   1 
ATOM   467  C CA  . ALA   A 1 56  ? -23.378 -8.129  -34.195 1.00 18.98  ? 62  ALA   B CA  1 
ATOM   468  C C   . ALA   A 1 56  ? -22.287 -9.196  -34.241 1.00 19.15  ? 62  ALA   B C   1 
ATOM   469  O O   . ALA   A 1 56  ? -22.160 -9.862  -35.288 1.00 22.07  ? 62  ALA   B O   1 
ATOM   470  C CB  . ALA   A 1 56  ? -22.890 -6.803  -34.692 1.00 20.10  ? 62  ALA   B CB  1 
ATOM   471  N N   . GLN   A 1 57  ? -21.511 -9.324  -33.175 1.00 17.30  ? 63  GLN   B N   1 
ATOM   472  C CA  . GLN   A 1 57  ? -20.307 -10.188 -33.164 1.00 16.77  ? 63  GLN   B CA  1 
ATOM   473  C C   . GLN   A 1 57  ? -20.759 -11.656 -33.146 1.00 19.84  ? 63  GLN   B C   1 
ATOM   474  O O   . GLN   A 1 57  ? -21.770 -12.007 -32.504 1.00 19.41  ? 63  GLN   B O   1 
ATOM   475  C CB  . GLN   A 1 57  ? -19.445 -9.816  -31.943 1.00 19.13  ? 63  GLN   B CB  1 
ATOM   476  C CG  . GLN   A 1 57  ? -18.742 -8.473  -32.030 1.00 21.39  ? 63  GLN   B CG  1 
ATOM   477  C CD  . GLN   A 1 57  ? -19.709 -7.306  -31.925 1.00 21.97  ? 63  GLN   B CD  1 
ATOM   478  O OE1 . GLN   A 1 57  ? -20.681 -7.359  -31.175 1.00 20.21  ? 63  GLN   B OE1 1 
ATOM   479  N NE2 . GLN   A 1 57  ? -19.469 -6.235  -32.654 1.00 25.21  ? 63  GLN   B NE2 1 
ATOM   480  N N   . ARG   A 1 58  ? -20.071 -12.517 -33.906 1.00 18.92  ? 64  ARG   B N   1 
ATOM   481  C CA  . ARG   A 1 58  ? -20.197 -13.982 -33.865 1.00 20.84  ? 64  ARG   B CA  1 
ATOM   482  C C   . ARG   A 1 58  ? -18.917 -14.594 -33.303 1.00 19.09  ? 64  ARG   B C   1 
ATOM   483  O O   . ARG   A 1 58  ? -17.808 -14.170 -33.677 1.00 21.83  ? 64  ARG   B O   1 
ATOM   484  C CB  . ARG   A 1 58  ? -20.371 -14.550 -35.278 1.00 24.10  ? 64  ARG   B CB  1 
ATOM   485  C CG  . ARG   A 1 58  ? -21.749 -14.403 -35.916 1.00 32.60  ? 64  ARG   B CG  1 
ATOM   486  C CD  . ARG   A 1 58  ? -22.258 -12.974 -35.982 1.00 34.38  ? 64  ARG   B CD  1 
ATOM   487  N NE  . ARG   A 1 58  ? -23.206 -12.498 -37.010 1.00 42.26  ? 64  ARG   B NE  1 
ATOM   488  C CZ  . ARG   A 1 58  ? -23.812 -13.208 -37.965 1.00 41.11  ? 64  ARG   B CZ  1 
ATOM   489  N NH1 . ARG   A 1 58  ? -24.654 -12.608 -38.792 1.00 44.27  ? 64  ARG   B NH1 1 
ATOM   490  N NH2 . ARG   A 1 58  ? -23.619 -14.503 -38.093 1.00 45.75  ? 64  ARG   B NH2 1 
ATOM   491  N N   . PHE   A 1 59  ? -19.046 -15.535 -32.377 1.00 17.34  ? 65  PHE   B N   1 
ATOM   492  C CA  . PHE   A 1 59  ? -17.865 -16.157 -31.722 1.00 17.21  ? 65  PHE   B CA  1 
ATOM   493  C C   . PHE   A 1 59  ? -17.910 -17.658 -31.976 1.00 16.10  ? 65  PHE   B C   1 
ATOM   494  O O   . PHE   A 1 59  ? -18.919 -18.292 -31.708 1.00 15.20  ? 65  PHE   B O   1 
ATOM   495  C CB  . PHE   A 1 59  ? -17.880 -15.854 -30.204 1.00 20.20  ? 65  PHE   B CB  1 
ATOM   496  C CG  . PHE   A 1 59  ? -17.859 -14.374 -29.867 1.00 20.41  ? 65  PHE   B CG  1 
ATOM   497  C CD1 . PHE   A 1 59  ? -16.849 -13.554 -30.348 1.00 22.80  ? 65  PHE   B CD1 1 
ATOM   498  C CD2 . PHE   A 1 59  ? -18.837 -13.800 -29.086 1.00 27.11  ? 65  PHE   B CD2 1 
ATOM   499  C CE1 . PHE   A 1 59  ? -16.797 -12.195 -30.064 1.00 25.34  ? 65  PHE   B CE1 1 
ATOM   500  C CE2 . PHE   A 1 59  ? -18.772 -12.448 -28.767 1.00 22.29  ? 65  PHE   B CE2 1 
ATOM   501  C CZ  . PHE   A 1 59  ? -17.800 -11.649 -29.299 1.00 23.24  ? 65  PHE   B CZ  1 
ATOM   502  N N   A SER   A 1 60  ? -16.815 -18.242 -32.480 0.25 15.96  ? 66  SER   B N   1 
ATOM   503  N N   B SER   A 1 60  ? -16.817 -18.237 -32.492 0.25 17.09  ? 66  SER   B N   1 
ATOM   504  C CA  A SER   A 1 60  ? -16.731 -19.700 -32.754 0.25 16.01  ? 66  SER   B CA  1 
ATOM   505  C CA  B SER   A 1 60  ? -16.703 -19.695 -32.755 0.25 17.94  ? 66  SER   B CA  1 
ATOM   506  C C   A SER   A 1 60  ? -15.510 -20.324 -32.053 0.25 15.92  ? 66  SER   B C   1 
ATOM   507  C C   B SER   A 1 60  ? -15.426 -20.267 -32.134 0.25 17.66  ? 66  SER   B C   1 
ATOM   508  O O   A SER   A 1 60  ? -15.370 -21.566 -32.111 0.25 15.83  ? 66  SER   B O   1 
ATOM   509  O O   B SER   A 1 60  ? -15.055 -21.392 -32.506 0.25 17.45  ? 66  SER   B O   1 
ATOM   510  C CB  A SER   A 1 60  ? -16.747 -19.947 -34.246 0.25 15.76  ? 66  SER   B CB  1 
ATOM   511  C CB  B SER   A 1 60  ? -16.709 -19.968 -34.221 0.25 18.40  ? 66  SER   B CB  1 
ATOM   512  O OG  A SER   A 1 60  ? -18.068 -19.751 -34.781 0.25 15.65  ? 66  SER   B OG  1 
ATOM   513  O OG  B SER   A 1 60  ? -15.679 -19.237 -34.852 0.25 20.37  ? 66  SER   B OG  1 
ATOM   514  N N   A SER   A 1 61  ? -14.694 -19.510 -31.377 0.25 16.02  ? 67  SER   B N   1 
ATOM   515  N N   B SER   A 1 61  ? -14.765 -19.513 -31.261 0.25 17.84  ? 67  SER   B N   1 
ATOM   516  C CA  A SER   A 1 61  ? -13.476 -19.953 -30.653 0.25 17.20  ? 67  SER   B CA  1 
ATOM   517  C CA  B SER   A 1 61  ? -13.491 -19.934 -30.643 0.25 18.91  ? 67  SER   B CA  1 
ATOM   518  C C   A SER   A 1 61  ? -13.129 -18.958 -29.546 0.25 17.73  ? 67  SER   B C   1 
ATOM   519  C C   B SER   A 1 61  ? -13.054 -18.917 -29.593 0.25 18.69  ? 67  SER   B C   1 
ATOM   520  O O   A SER   A 1 61  ? -13.668 -17.840 -29.567 0.25 17.73  ? 67  SER   B O   1 
ATOM   521  O O   B SER   A 1 61  ? -13.436 -17.734 -29.711 0.25 18.38  ? 67  SER   B O   1 
ATOM   522  C CB  A SER   A 1 61  ? -12.315 -20.098 -31.619 0.25 17.74  ? 67  SER   B CB  1 
ATOM   523  C CB  B SER   A 1 61  ? -12.439 -20.105 -31.717 0.25 20.14  ? 67  SER   B CB  1 
ATOM   524  O OG  A SER   A 1 61  ? -11.810 -18.821 -31.968 0.25 17.53  ? 67  SER   B OG  1 
ATOM   525  O OG  B SER   A 1 61  ? -11.187 -20.391 -31.128 0.25 21.25  ? 67  SER   B OG  1 
ATOM   526  N N   . GLY   A 1 62  ? -12.256 -19.362 -28.620 1.00 19.07  ? 68  GLY   B N   1 
ATOM   527  C CA  . GLY   A 1 62  ? -11.609 -18.428 -27.694 1.00 20.29  ? 68  GLY   B CA  1 
ATOM   528  C C   . GLY   A 1 62  ? -12.436 -18.087 -26.460 1.00 17.33  ? 68  GLY   B C   1 
ATOM   529  O O   . GLY   A 1 62  ? -13.486 -18.721 -26.211 1.00 17.28  ? 68  GLY   B O   1 
ATOM   530  N N   . LYS   A 1 63  ? -11.933 -17.088 -25.753 1.00 17.73  ? 69  LYS   B N   1 
ATOM   531  C CA  . LYS   A 1 63  ? -12.513 -16.602 -24.506 1.00 17.33  ? 69  LYS   B CA  1 
ATOM   532  C C   . LYS   A 1 63  ? -12.941 -15.153 -24.741 1.00 17.99  ? 69  LYS   B C   1 
ATOM   533  O O   . LYS   A 1 63  ? -12.183 -14.350 -25.284 1.00 18.36  ? 69  LYS   B O   1 
ATOM   534  C CB  . LYS   A 1 63  ? -11.497 -16.763 -23.383 1.00 19.52  ? 69  LYS   B CB  1 
ATOM   535  C CG  . LYS   A 1 63  ? -11.093 -18.196 -23.027 1.00 19.95  ? 69  LYS   B CG  1 
ATOM   536  C CD  . LYS   A 1 63  ? -9.951  -18.261 -21.979 1.00 24.60  ? 69  LYS   B CD  1 
ATOM   537  C CE  . LYS   A 1 63  ? -9.637  -19.668 -21.514 1.00 27.68  ? 69  LYS   B CE  1 
ATOM   538  N NZ  . LYS   A 1 63  ? -8.510  -19.654 -20.555 1.00 31.59  ? 69  LYS   B NZ  1 
ATOM   539  N N   . MET   A 1 64  ? -14.138 -14.820 -24.277 1.00 16.44  ? 70  MET   B N   1 
ATOM   540  C CA  . MET   A 1 64  ? -14.762 -13.502 -24.498 1.00 16.34  ? 70  MET   B CA  1 
ATOM   541  C C   . MET   A 1 64  ? -15.442 -13.040 -23.223 1.00 15.58  ? 70  MET   B C   1 
ATOM   542  O O   . MET   A 1 64  ? -16.026 -13.873 -22.527 1.00 16.83  ? 70  MET   B O   1 
ATOM   543  C CB  . MET   A 1 64  ? -15.857 -13.610 -25.548 1.00 17.04  ? 70  MET   B CB  1 
ATOM   544  C CG  . MET   A 1 64  ? -15.425 -13.753 -26.988 1.00 17.54  ? 70  MET   B CG  1 
ATOM   545  S SD  . MET   A 1 64  ? -14.701 -15.348 -27.514 1.00 20.78  ? 70  MET   B SD  1 
ATOM   546  C CE  . MET   A 1 64  ? -15.901 -16.568 -27.048 1.00 19.49  ? 70  MET   B CE  1 
ATOM   547  N N   . TYR   A 1 65  ? -15.426 -11.744 -22.956 1.00 16.16  ? 71  TYR   B N   1 
ATOM   548  C CA  . TYR   A 1 65  ? -16.003 -11.164 -21.720 1.00 16.68  ? 71  TYR   B CA  1 
ATOM   549  C C   . TYR   A 1 65  ? -16.616 -9.826  -22.083 1.00 17.18  ? 71  TYR   B C   1 
ATOM   550  O O   . TYR   A 1 65  ? -15.966 -9.006  -22.807 1.00 17.10  ? 71  TYR   B O   1 
ATOM   551  C CB  . TYR   A 1 65  ? -14.939 -10.992 -20.635 1.00 17.38  ? 71  TYR   B CB  1 
ATOM   552  C CG  . TYR   A 1 65  ? -15.445 -10.389 -19.351 1.00 16.56  ? 71  TYR   B CG  1 
ATOM   553  C CD1 . TYR   A 1 65  ? -16.208 -11.147 -18.473 1.00 16.23  ? 71  TYR   B CD1 1 
ATOM   554  C CD2 . TYR   A 1 65  ? -15.297 -9.034  -19.090 1.00 17.77  ? 71  TYR   B CD2 1 
ATOM   555  C CE1 . TYR   A 1 65  ? -16.707 -10.617 -17.291 1.00 17.46  ? 71  TYR   B CE1 1 
ATOM   556  C CE2 . TYR   A 1 65  ? -15.792 -8.486  -17.917 1.00 17.34  ? 71  TYR   B CE2 1 
ATOM   557  C CZ  . TYR   A 1 65  ? -16.504 -9.267  -17.041 1.00 17.06  ? 71  TYR   B CZ  1 
ATOM   558  O OH  . TYR   A 1 65  ? -16.971 -8.672  -15.903 1.00 19.12  ? 71  TYR   B OH  1 
ATOM   559  N N   . TRP   A 1 66  ? -17.820 -9.566  -21.597 1.00 14.13  ? 72  TRP   B N   1 
ATOM   560  C CA  . TRP   A 1 66  ? -18.413 -8.213  -21.689 1.00 14.02  ? 72  TRP   B CA  1 
ATOM   561  C C   . TRP   A 1 66  ? -19.328 -7.955  -20.477 1.00 14.26  ? 72  TRP   B C   1 
ATOM   562  O O   . TRP   A 1 66  ? -19.648 -8.902  -19.706 1.00 15.56  ? 72  TRP   B O   1 
ATOM   563  C CB  . TRP   A 1 66  ? -19.152 -8.010  -23.030 1.00 14.24  ? 72  TRP   B CB  1 
ATOM   564  C CG  . TRP   A 1 66  ? -20.332 -8.892  -23.296 1.00 13.88  ? 72  TRP   B CG  1 
ATOM   565  C CD1 . TRP   A 1 66  ? -21.657 -8.613  -23.066 1.00 15.16  ? 72  TRP   B CD1 1 
ATOM   566  C CD2 . TRP   A 1 66  ? -20.324 -10.212 -23.869 1.00 14.56  ? 72  TRP   B CD2 1 
ATOM   567  N NE1 . TRP   A 1 66  ? -22.448 -9.654  -23.478 1.00 14.18  ? 72  TRP   B NE1 1 
ATOM   568  C CE2 . TRP   A 1 66  ? -21.652 -10.683 -23.916 1.00 14.74  ? 72  TRP   B CE2 1 
ATOM   569  C CE3 . TRP   A 1 66  ? -19.296 -11.057 -24.315 1.00 17.71  ? 72  TRP   B CE3 1 
ATOM   570  C CZ2 . TRP   A 1 66  ? -21.984 -11.918 -24.436 1.00 16.43  ? 72  TRP   B CZ2 1 
ATOM   571  C CZ3 . TRP   A 1 66  ? -19.619 -12.295 -24.813 1.00 19.69  ? 72  TRP   B CZ3 1 
ATOM   572  C CH2 . TRP   A 1 66  ? -20.941 -12.727 -24.850 1.00 17.15  ? 72  TRP   B CH2 1 
ATOM   573  N N   . GLU   A 1 67  ? -19.713 -6.684  -20.303 1.00 14.36  ? 73  GLU   B N   1 
ATOM   574  C CA  . GLU   A 1 67  ? -20.526 -6.245  -19.143 1.00 15.21  ? 73  GLU   B CA  1 
ATOM   575  C C   . GLU   A 1 67  ? -21.736 -5.463  -19.609 1.00 15.22  ? 73  GLU   B C   1 
ATOM   576  O O   . GLU   A 1 67  ? -21.658 -4.777  -20.626 1.00 15.24  ? 73  GLU   B O   1 
ATOM   577  C CB  . GLU   A 1 67  ? -19.722 -5.409  -18.156 1.00 16.32  ? 73  GLU   B CB  1 
ATOM   578  C CG  . GLU   A 1 67  ? -18.653 -6.253  -17.468 1.00 18.00  ? 73  GLU   B CG  1 
ATOM   579  C CD  . GLU   A 1 67  ? -17.759 -5.498  -16.506 1.00 22.54  ? 73  GLU   B CD  1 
ATOM   580  O OE1 . GLU   A 1 67  ? -17.916 -4.240  -16.450 1.00 25.18  ? 73  GLU   B OE1 1 
ATOM   581  O OE2 . GLU   A 1 67  ? -16.943 -6.163  -15.755 1.00 20.81  ? 73  GLU   B OE2 1 
ATOM   582  N N   . VAL   A 1 68  ? -22.849 -5.693  -18.924 1.00 15.29  ? 74  VAL   B N   1 
ATOM   583  C CA  . VAL   A 1 68  ? -24.131 -5.038  -19.261 1.00 14.00  ? 74  VAL   B CA  1 
ATOM   584  C C   . VAL   A 1 68  ? -24.706 -4.355  -18.012 1.00 13.76  ? 74  VAL   B C   1 
ATOM   585  O O   . VAL   A 1 68  ? -24.803 -4.986  -16.941 1.00 15.10  ? 74  VAL   B O   1 
ATOM   586  C CB  . VAL   A 1 68  ? -25.148 -6.049  -19.813 1.00 14.43  ? 74  VAL   B CB  1 
ATOM   587  C CG1 . VAL   A 1 68  ? -26.416 -5.330  -20.254 1.00 15.52  ? 74  VAL   B CG1 1 
ATOM   588  C CG2 . VAL   A 1 68  ? -24.557 -6.906  -20.902 1.00 15.79  ? 74  VAL   B CG2 1 
ATOM   589  N N   . ASP   A 1 69  ? -25.194 -3.123  -18.180 1.00 14.75  ? 75  ASP   B N   1 
ATOM   590  C CA  . ASP   A 1 69  ? -25.865 -2.313  -17.136 1.00 15.76  ? 75  ASP   B CA  1 
ATOM   591  C C   . ASP   A 1 69  ? -27.347 -2.616  -17.179 1.00 14.44  ? 75  ASP   B C   1 
ATOM   592  O O   . ASP   A 1 69  ? -27.956 -2.513  -18.322 1.00 14.77  ? 75  ASP   B O   1 
ATOM   593  C CB  . ASP   A 1 69  ? -25.561 -0.825  -17.309 1.00 17.01  ? 75  ASP   B CB  1 
ATOM   594  C CG  . ASP   A 1 69  ? -25.948 -0.014  -16.083 1.00 20.41  ? 75  ASP   B CG  1 
ATOM   595  O OD1 . ASP   A 1 69  ? -27.097 0.007   -15.752 1.00 19.54  ? 75  ASP   B OD1 1 
ATOM   596  O OD2 . ASP   A 1 69  ? -25.036 0.443   -15.391 1.00 27.19  ? 75  ASP   B OD2 1 
ATOM   597  N N   . VAL   A 1 70  ? -27.896 -3.021  -16.039 1.00 14.74  ? 76  VAL   B N   1 
ATOM   598  C CA  . VAL   A 1 70  ? -29.333 -3.363  -15.868 1.00 14.55  ? 76  VAL   B CA  1 
ATOM   599  C C   . VAL   A 1 70  ? -30.021 -2.440  -14.831 1.00 15.08  ? 76  VAL   B C   1 
ATOM   600  O O   . VAL   A 1 70  ? -31.116 -2.778  -14.339 1.00 15.35  ? 76  VAL   B O   1 
ATOM   601  C CB  . VAL   A 1 70  ? -29.503 -4.874  -15.534 1.00 15.32  ? 76  VAL   B CB  1 
ATOM   602  C CG1 . VAL   A 1 70  ? -28.915 -5.784  -16.645 1.00 15.52  ? 76  VAL   B CG1 1 
ATOM   603  C CG2 . VAL   A 1 70  ? -28.905 -5.260  -14.192 1.00 15.74  ? 76  VAL   B CG2 1 
ATOM   604  N N   . THR   A 1 71  ? -29.375 -1.341  -14.479 1.00 15.80  ? 77  THR   B N   1 
ATOM   605  C CA  . THR   A 1 71  ? -29.848 -0.430  -13.412 1.00 17.37  ? 77  THR   B CA  1 
ATOM   606  C C   . THR   A 1 71  ? -31.338 -0.122  -13.606 1.00 18.17  ? 77  THR   B C   1 
ATOM   607  O O   . THR   A 1 71  ? -31.786 0.246   -14.713 1.00 17.58  ? 77  THR   B O   1 
ATOM   608  C CB  . THR   A 1 71  ? -29.060 0.878   -13.418 1.00 18.44  ? 77  THR   B CB  1 
ATOM   609  O OG1 . THR   A 1 71  ? -27.692 0.622   -13.104 1.00 21.15  ? 77  THR   B OG1 1 
ATOM   610  C CG2 . THR   A 1 71  ? -29.652 1.823   -12.386 1.00 21.48  ? 77  THR   B CG2 1 
ATOM   611  N N   . GLN   A 1 72  ? -32.070 -0.254  -12.502 1.00 21.51  ? 78  GLN   B N   1 
ATOM   612  C CA  . GLN   A 1 72  ? -33.513 0.065   -12.290 1.00 25.11  ? 78  GLN   B CA  1 
ATOM   613  C C   . GLN   A 1 72  ? -34.452 -0.715  -13.207 1.00 24.84  ? 78  GLN   B C   1 
ATOM   614  O O   . GLN   A 1 72  ? -35.657 -0.399  -13.247 1.00 28.60  ? 78  GLN   B O   1 
ATOM   615  C CB  . GLN   A 1 72  ? -33.745 1.576   -12.336 1.00 32.50  ? 78  GLN   B CB  1 
ATOM   616  C CG  . GLN   A 1 72  ? -33.549 2.233   -13.697 1.00 40.72  ? 78  GLN   B CG  1 
ATOM   617  C CD  . GLN   A 1 72  ? -34.592 3.278   -14.040 1.00 44.17  ? 78  GLN   B CD  1 
ATOM   618  O OE1 . GLN   A 1 72  ? -34.304 4.275   -14.708 1.00 43.10  ? 78  GLN   B OE1 1 
ATOM   619  N NE2 . GLN   A 1 72  ? -35.841 3.000   -13.680 1.00 49.76  ? 78  GLN   B NE2 1 
ATOM   620  N N   . LYS   A 1 73  ? -34.021 -1.781  -13.865 1.00 16.36  ? 79  LYS   B N   1 
ATOM   621  C CA  . LYS   A 1 73  ? -34.996 -2.607  -14.604 1.00 15.86  ? 79  LYS   B CA  1 
ATOM   622  C C   . LYS   A 1 73  ? -35.677 -3.650  -13.710 1.00 13.97  ? 79  LYS   B C   1 
ATOM   623  O O   . LYS   A 1 73  ? -35.033 -4.188  -12.765 1.00 16.56  ? 79  LYS   B O   1 
ATOM   624  C CB  . LYS   A 1 73  ? -34.265 -3.292  -15.769 1.00 16.90  ? 79  LYS   B CB  1 
ATOM   625  C CG  . LYS   A 1 73  ? -33.794 -2.314  -16.863 1.00 17.40  ? 79  LYS   B CG  1 
ATOM   626  C CD  . LYS   A 1 73  ? -33.301 -2.964  -18.151 1.00 17.69  ? 79  LYS   B CD  1 
ATOM   627  C CE  . LYS   A 1 73  ? -34.383 -3.709  -18.896 1.00 16.68  ? 79  LYS   B CE  1 
ATOM   628  N NZ  . LYS   A 1 73  ? -35.584 -2.871  -19.244 1.00 15.42  ? 79  LYS   B NZ  1 
ATOM   629  N N   . GLU   A 1 74  ? -36.913 -3.978  -14.015 1.00 14.04  ? 80  GLU   B N   1 
ATOM   630  C CA  . GLU   A 1 74  ? -37.745 -4.987  -13.330 1.00 15.19  ? 80  GLU   B CA  1 
ATOM   631  C C   . GLU   A 1 74  ? -37.624 -6.366  -13.987 1.00 14.88  ? 80  GLU   B C   1 
ATOM   632  O O   . GLU   A 1 74  ? -38.004 -7.380  -13.399 1.00 15.64  ? 80  GLU   B O   1 
ATOM   633  C CB  . GLU   A 1 74  ? -39.226 -4.571  -13.370 1.00 16.53  ? 80  GLU   B CB  1 
ATOM   634  C CG  . GLU   A 1 74  ? -39.496 -3.362  -12.505 1.00 17.54  ? 80  GLU   B CG  1 
ATOM   635  C CD  . GLU   A 1 74  ? -40.974 -2.956  -12.610 1.00 17.65  ? 80  GLU   B CD  1 
ATOM   636  O OE1 . GLU   A 1 74  ? -41.352 -2.059  -11.817 1.00 20.60  ? 80  GLU   B OE1 1 
ATOM   637  O OE2 . GLU   A 1 74  ? -41.708 -3.475  -13.509 1.00 20.01  ? 80  GLU   B OE2 1 
ATOM   638  N N   . ALA   A 1 75  ? -37.280 -6.389  -15.283 1.00 14.75  ? 81  ALA   B N   1 
ATOM   639  C CA  . ALA   A 1 75  ? -37.288 -7.645  -16.045 1.00 13.71  ? 81  ALA   B CA  1 
ATOM   640  C C   . ALA   A 1 75  ? -36.298 -7.535  -17.207 1.00 15.25  ? 81  ALA   B C   1 
ATOM   641  O O   . ALA   A 1 75  ? -36.251 -6.481  -17.870 1.00 14.47  ? 81  ALA   B O   1 
ATOM   642  C CB  . ALA   A 1 75  ? -38.661 -7.985  -16.578 1.00 14.50  ? 81  ALA   B CB  1 
ATOM   643  N N   . TRP   A 1 76  ? -35.602 -8.625  -17.494 1.00 13.23  ? 82  TRP   B N   1 
ATOM   644  C CA  . TRP   A 1 76  ? -34.613 -8.693  -18.610 1.00 12.92  ? 82  TRP   B CA  1 
ATOM   645  C C   . TRP   A 1 76  ? -34.115 -10.128 -18.704 1.00 13.14  ? 82  TRP   B C   1 
ATOM   646  O O   . TRP   A 1 76  ? -34.198 -10.864 -17.710 1.00 13.50  ? 82  TRP   B O   1 
ATOM   647  C CB  . TRP   A 1 76  ? -33.441 -7.728  -18.406 1.00 13.86  ? 82  TRP   B CB  1 
ATOM   648  C CG  . TRP   A 1 76  ? -32.751 -7.743  -17.074 1.00 13.38  ? 82  TRP   B CG  1 
ATOM   649  C CD1 . TRP   A 1 76  ? -32.967 -6.892  -16.045 1.00 15.24  ? 82  TRP   B CD1 1 
ATOM   650  C CD2 . TRP   A 1 76  ? -31.795 -8.689  -16.543 1.00 13.71  ? 82  TRP   B CD2 1 
ATOM   651  N NE1 . TRP   A 1 76  ? -32.198 -7.171  -14.965 1.00 14.35  ? 82  TRP   B NE1 1 
ATOM   652  C CE2 . TRP   A 1 76  ? -31.500 -8.321  -15.220 1.00 13.78  ? 82  TRP   B CE2 1 
ATOM   653  C CE3 . TRP   A 1 76  ? -31.178 -9.849  -17.064 1.00 14.62  ? 82  TRP   B CE3 1 
ATOM   654  C CZ2 . TRP   A 1 76  ? -30.563 -8.963  -14.417 1.00 13.50  ? 82  TRP   B CZ2 1 
ATOM   655  C CZ3 . TRP   A 1 76  ? -30.278 -10.514 -16.265 1.00 13.99  ? 82  TRP   B CZ3 1 
ATOM   656  C CH2 . TRP   A 1 76  ? -29.994 -10.086 -14.966 1.00 14.60  ? 82  TRP   B CH2 1 
ATOM   657  N N   . ASP   A 1 77  ? -33.586 -10.479 -19.874 1.00 12.86  ? 83  ASP   B N   1 
ATOM   658  C CA  . ASP   A 1 77  ? -32.824 -11.739 -20.092 1.00 13.05  ? 83  ASP   B CA  1 
ATOM   659  C C   . ASP   A 1 77  ? -31.442 -11.331 -20.641 1.00 12.52  ? 83  ASP   B C   1 
ATOM   660  O O   . ASP   A 1 77  ? -31.410 -10.428 -21.507 1.00 13.24  ? 83  ASP   B O   1 
ATOM   661  C CB  . ASP   A 1 77  ? -33.490 -12.682 -21.084 1.00 13.84  ? 83  ASP   B CB  1 
ATOM   662  C CG  . ASP   A 1 77  ? -34.976 -12.945 -20.942 1.00 16.35  ? 83  ASP   B CG  1 
ATOM   663  O OD1 . ASP   A 1 77  ? -35.425 -12.974 -19.809 1.00 18.50  ? 83  ASP   B OD1 1 
ATOM   664  O OD2 . ASP   A 1 77  ? -35.637 -13.132 -21.973 1.00 17.94  ? 83  ASP   B OD2 1 
ATOM   665  N N   . LEU   A 1 78  ? -30.352 -12.024 -20.295 1.00 11.86  ? 84  LEU   B N   1 
ATOM   666  C CA  . LEU   A 1 78  ? -28.992 -11.762 -20.840 1.00 11.73  ? 84  LEU   B CA  1 
ATOM   667  C C   . LEU   A 1 78  ? -28.299 -13.103 -21.040 1.00 12.23  ? 84  LEU   B C   1 
ATOM   668  O O   . LEU   A 1 78  ? -28.403 -14.001 -20.168 1.00 12.42  ? 84  LEU   B O   1 
ATOM   669  C CB  . LEU   A 1 78  ? -28.150 -10.913 -19.893 1.00 12.53  ? 84  LEU   B CB  1 
ATOM   670  C CG  . LEU   A 1 78  ? -28.542 -9.454  -19.747 1.00 13.87  ? 84  LEU   B CG  1 
ATOM   671  C CD1 . LEU   A 1 78  ? -27.699 -8.836  -18.648 1.00 15.21  ? 84  LEU   B CD1 1 
ATOM   672  C CD2 . LEU   A 1 78  ? -28.358 -8.744  -21.067 1.00 14.22  ? 84  LEU   B CD2 1 
ATOM   673  N N   . GLY   A 1 79  ? -27.442 -13.157 -22.050 1.00 11.52  ? 85  GLY   B N   1 
ATOM   674  C CA  . GLY   A 1 79  ? -26.469 -14.255 -22.159 1.00 12.79  ? 85  GLY   B CA  1 
ATOM   675  C C   . GLY   A 1 79  ? -25.962 -14.336 -23.586 1.00 11.85  ? 85  GLY   B C   1 
ATOM   676  O O   . GLY   A 1 79  ? -25.599 -13.326 -24.174 1.00 12.29  ? 85  GLY   B O   1 
ATOM   677  N N   A VAL   A 1 80  ? -25.898 -15.569 -24.108 0.25 11.46  ? 86  VAL   B N   1 
ATOM   678  N N   B VAL   A 1 80  ? -25.976 -15.542 -24.146 0.25 12.46  ? 86  VAL   B N   1 
ATOM   679  C CA  A VAL   A 1 80  ? -25.516 -15.869 -25.517 0.25 11.74  ? 86  VAL   B CA  1 
ATOM   680  C CA  B VAL   A 1 80  ? -25.454 -15.803 -25.512 0.25 13.33  ? 86  VAL   B CA  1 
ATOM   681  C C   A VAL   A 1 80  ? -26.531 -16.837 -26.122 0.25 11.87  ? 86  VAL   B C   1 
ATOM   682  C C   B VAL   A 1 80  ? -26.346 -16.896 -26.117 0.25 12.87  ? 86  VAL   B C   1 
ATOM   683  O O   A VAL   A 1 80  ? -27.276 -17.556 -25.404 0.25 11.82  ? 86  VAL   B O   1 
ATOM   684  O O   B VAL   A 1 80  ? -26.894 -17.698 -25.358 0.25 12.86  ? 86  VAL   B O   1 
ATOM   685  C CB  A VAL   A 1 80  ? -24.107 -16.485 -25.645 0.25 11.19  ? 86  VAL   B CB  1 
ATOM   686  C CB  B VAL   A 1 80  ? -23.963 -16.190 -25.414 0.25 14.45  ? 86  VAL   B CB  1 
ATOM   687  C CG1 A VAL   A 1 80  ? -23.038 -15.462 -25.304 0.25 10.65  ? 86  VAL   B CG1 1 
ATOM   688  C CG1 B VAL   A 1 80  ? -23.765 -17.554 -24.762 0.25 14.63  ? 86  VAL   B CG1 1 
ATOM   689  C CG2 A VAL   A 1 80  ? -23.948 -17.745 -24.797 0.25 11.31  ? 86  VAL   B CG2 1 
ATOM   690  C CG2 B VAL   A 1 80  ? -23.244 -16.104 -26.743 0.25 15.31  ? 86  VAL   B CG2 1 
ATOM   691  N N   . CYS   A 1 81  ? -26.511 -16.916 -27.440 1.00 11.78  ? 87  CYS   B N   1 
ATOM   692  C CA  . CYS   A 1 81  ? -27.323 -17.911 -28.121 1.00 13.41  ? 87  CYS   B CA  1 
ATOM   693  C C   . CYS   A 1 81  ? -26.651 -18.316 -29.428 1.00 12.97  ? 87  CYS   B C   1 
ATOM   694  O O   . CYS   A 1 81  ? -25.755 -17.615 -29.934 1.00 13.53  ? 87  CYS   B O   1 
ATOM   695  C CB  . CYS   A 1 81  ? -28.722 -17.378 -28.373 1.00 14.18  ? 87  CYS   B CB  1 
ATOM   696  S SG  . CYS   A 1 81  ? -28.827 -15.974 -29.531 1.00 15.02  ? 87  CYS   B SG  1 
ATOM   697  N N   A ARG   A 1 82  ? -27.086 -19.447 -29.956 0.25 13.69  ? 88  ARG   B N   1 
ATOM   698  N N   B ARG   A 1 82  ? -27.087 -19.447 -29.962 0.25 12.88  ? 88  ARG   B N   1 
ATOM   699  C CA  A ARG   A 1 82  ? -26.683 -19.888 -31.308 0.25 14.94  ? 88  ARG   B CA  1 
ATOM   700  C CA  B ARG   A 1 82  ? -26.646 -19.927 -31.294 0.25 13.50  ? 88  ARG   B CA  1 
ATOM   701  C C   A ARG   A 1 82  ? -27.106 -18.831 -32.331 0.25 14.57  ? 88  ARG   B C   1 
ATOM   702  C C   B ARG   A 1 82  ? -27.154 -18.951 -32.371 0.25 13.96  ? 88  ARG   B C   1 
ATOM   703  O O   A ARG   A 1 82  ? -28.148 -18.197 -32.177 0.25 14.80  ? 88  ARG   B O   1 
ATOM   704  O O   B ARG   A 1 82  ? -28.321 -18.493 -32.287 0.25 14.20  ? 88  ARG   B O   1 
ATOM   705  C CB  A ARG   A 1 82  ? -27.331 -21.234 -31.624 0.25 16.53  ? 88  ARG   B CB  1 
ATOM   706  C CB  B ARG   A 1 82  ? -27.159 -21.356 -31.502 0.25 13.78  ? 88  ARG   B CB  1 
ATOM   707  C CG  A ARG   A 1 82  ? -26.710 -22.375 -30.844 0.25 17.74  ? 88  ARG   B CG  1 
ATOM   708  C CG  B ARG   A 1 82  ? -26.476 -22.092 -32.644 0.25 13.78  ? 88  ARG   B CG  1 
ATOM   709  C CD  A ARG   A 1 82  ? -27.307 -23.694 -31.271 0.25 19.68  ? 88  ARG   B CD  1 
ATOM   710  C CD  B ARG   A 1 82  ? -27.041 -23.468 -32.873 0.25 13.60  ? 88  ARG   B CD  1 
ATOM   711  N NE  A ARG   A 1 82  ? -26.999 -24.744 -30.315 0.25 19.34  ? 88  ARG   B NE  1 
ATOM   712  N NE  B ARG   A 1 82  ? -26.898 -24.265 -31.679 0.25 13.72  ? 88  ARG   B NE  1 
ATOM   713  C CZ  A ARG   A 1 82  ? -27.856 -25.679 -29.961 0.25 19.10  ? 88  ARG   B CZ  1 
ATOM   714  C CZ  B ARG   A 1 82  ? -27.901 -24.864 -31.030 0.25 13.49  ? 88  ARG   B CZ  1 
ATOM   715  N NH1 A ARG   A 1 82  ? -29.080 -25.677 -30.460 0.25 18.66  ? 88  ARG   B NH1 1 
ATOM   716  N NH1 B ARG   A 1 82  ? -29.134 -24.802 -31.481 0.25 15.88  ? 88  ARG   B NH1 1 
ATOM   717  N NH2 A ARG   A 1 82  ? -27.475 -26.615 -29.113 0.25 20.48  ? 88  ARG   B NH2 1 
ATOM   718  N NH2 B ARG   A 1 82  ? -27.652 -25.519 -29.913 0.25 13.26  ? 88  ARG   B NH2 1 
ATOM   719  N N   . ASP   A 1 83  ? -26.330 -18.690 -33.393 1.00 14.38  ? 89  ASP   B N   1 
ATOM   720  C CA  . ASP   A 1 83  ? -26.723 -17.781 -34.494 1.00 15.37  ? 89  ASP   B CA  1 
ATOM   721  C C   . ASP   A 1 83  ? -28.014 -18.295 -35.131 1.00 17.63  ? 89  ASP   B C   1 
ATOM   722  O O   . ASP   A 1 83  ? -28.722 -17.453 -35.714 1.00 20.84  ? 89  ASP   B O   1 
ATOM   723  C CB  . ASP   A 1 83  ? -25.574 -17.684 -35.490 1.00 17.58  ? 89  ASP   B CB  1 
ATOM   724  C CG  . ASP   A 1 83  ? -25.181 -18.944 -36.227 1.00 21.58  ? 89  ASP   B CG  1 
ATOM   725  O OD1 . ASP   A 1 83  ? -25.670 -20.042 -35.892 1.00 25.49  ? 89  ASP   B OD1 1 
ATOM   726  O OD2 . ASP   A 1 83  ? -24.388 -18.779 -37.209 1.00 24.63  ? 89  ASP   B OD2 1 
ATOM   727  N N   . SER   A 1 84  ? -28.342 -19.586 -35.057 1.00 15.58  ? 90  SER   B N   1 
ATOM   728  C CA  . SER   A 1 84  ? -29.491 -20.209 -35.760 1.00 17.70  ? 90  SER   B CA  1 
ATOM   729  C C   . SER   A 1 84  ? -30.762 -20.283 -34.898 1.00 16.00  ? 90  SER   B C   1 
ATOM   730  O O   . SER   A 1 84  ? -31.659 -21.020 -35.244 1.00 16.95  ? 90  SER   B O   1 
ATOM   731  C CB  . SER   A 1 84  ? -29.049 -21.589 -36.268 1.00 18.64  ? 90  SER   B CB  1 
ATOM   732  O OG  . SER   A 1 84  ? -28.560 -22.384 -35.247 1.00 20.49  ? 90  SER   B OG  1 
ATOM   733  N N   . VAL   A 1 85  ? -30.814 -19.634 -33.724 1.00 15.29  ? 91  VAL   B N   1 
ATOM   734  C CA  . VAL   A 1 85  ? -32.030 -19.756 -32.886 1.00 15.18  ? 91  VAL   B CA  1 
ATOM   735  C C   . VAL   A 1 85  ? -33.256 -19.275 -33.674 1.00 14.78  ? 91  VAL   B C   1 
ATOM   736  O O   . VAL   A 1 85  ? -33.143 -18.333 -34.507 1.00 15.79  ? 91  VAL   B O   1 
ATOM   737  C CB  . VAL   A 1 85  ? -31.937 -19.049 -31.518 1.00 15.36  ? 91  VAL   B CB  1 
ATOM   738  C CG1 . VAL   A 1 85  ? -30.904 -19.700 -30.621 1.00 16.71  ? 91  VAL   B CG1 1 
ATOM   739  C CG2 . VAL   A 1 85  ? -31.713 -17.556 -31.639 1.00 14.61  ? 91  VAL   B CG2 1 
ATOM   740  N N   . GLN   A 1 86  ? -34.381 -19.862 -33.329 1.00 17.23  ? 92  GLN   B N   1 
ATOM   741  C CA  . GLN   A 1 86  ? -35.738 -19.449 -33.798 1.00 18.19  ? 92  GLN   B CA  1 
ATOM   742  C C   . GLN   A 1 86  ? -35.954 -17.957 -33.508 1.00 17.81  ? 92  GLN   B C   1 
ATOM   743  O O   . GLN   A 1 86  ? -35.634 -17.502 -32.425 1.00 17.00  ? 92  GLN   B O   1 
ATOM   744  C CB  . GLN   A 1 86  ? -36.766 -20.310 -33.062 1.00 19.93  ? 92  GLN   B CB  1 
ATOM   745  C CG  . GLN   A 1 86  ? -38.239 -20.013 -33.335 1.00 24.19  ? 92  GLN   B CG  1 
ATOM   746  C CD  . GLN   A 1 86  ? -39.144 -20.858 -32.453 1.00 25.86  ? 92  GLN   B CD  1 
ATOM   747  O OE1 . GLN   A 1 86  ? -38.720 -21.846 -31.820 1.00 28.89  ? 92  GLN   B OE1 1 
ATOM   748  N NE2 . GLN   A 1 86  ? -40.418 -20.474 -32.359 1.00 26.80  ? 92  GLN   B NE2 1 
ATOM   749  N N   . ARG   A 1 87  ? -36.527 -17.233 -34.461 1.00 15.88  ? 93  ARG   B N   1 
ATOM   750  C CA  . ARG   A 1 87  ? -36.813 -15.774 -34.332 1.00 15.86  ? 93  ARG   B CA  1 
ATOM   751  C C   . ARG   A 1 87  ? -38.321 -15.532 -34.194 1.00 17.09  ? 93  ARG   B C   1 
ATOM   752  O O   . ARG   A 1 87  ? -38.662 -14.522 -33.587 1.00 16.75  ? 93  ARG   B O   1 
ATOM   753  C CB  . ARG   A 1 87  ? -36.273 -14.971 -35.505 1.00 16.16  ? 93  ARG   B CB  1 
ATOM   754  C CG  . ARG   A 1 87  ? -34.786 -15.150 -35.806 1.00 16.04  ? 93  ARG   B CG  1 
ATOM   755  C CD  . ARG   A 1 87  ? -33.878 -14.977 -34.601 1.00 17.05  ? 93  ARG   B CD  1 
ATOM   756  N NE  . ARG   A 1 87  ? -32.499 -15.391 -34.953 1.00 17.48  ? 93  ARG   B NE  1 
ATOM   757  C CZ  . ARG   A 1 87  ? -31.592 -14.681 -35.590 1.00 18.48  ? 93  ARG   B CZ  1 
ATOM   758  N NH1 . ARG   A 1 87  ? -31.847 -13.444 -35.979 1.00 18.35  ? 93  ARG   B NH1 1 
ATOM   759  N NH2 . ARG   A 1 87  ? -30.426 -15.225 -35.878 1.00 19.82  ? 93  ARG   B NH2 1 
ATOM   760  N N   . LYS   A 1 88  ? -39.180 -16.367 -34.784 1.00 16.97  ? 94  LYS   B N   1 
ATOM   761  C CA  . LYS   A 1 88  ? -40.626 -16.078 -34.940 1.00 18.05  ? 94  LYS   B CA  1 
ATOM   762  C C   . LYS   A 1 88  ? -41.423 -16.978 -34.024 1.00 19.12  ? 94  LYS   B C   1 
ATOM   763  O O   . LYS   A 1 88  ? -41.057 -18.171 -33.892 1.00 20.78  ? 94  LYS   B O   1 
ATOM   764  C CB  . LYS   A 1 88  ? -41.048 -16.288 -36.394 1.00 18.74  ? 94  LYS   B CB  1 
ATOM   765  C CG  . LYS   A 1 88  ? -40.228 -15.548 -37.418 1.00 20.65  ? 94  LYS   B CG  1 
ATOM   766  C CD  . LYS   A 1 88  ? -40.166 -14.030 -37.159 1.00 20.81  ? 94  LYS   B CD  1 
ATOM   767  C CE  . LYS   A 1 88  ? -39.415 -13.364 -38.276 1.00 20.27  ? 94  LYS   B CE  1 
ATOM   768  N NZ  . LYS   A 1 88  ? -39.294 -11.911 -38.050 1.00 21.31  ? 94  LYS   B NZ  1 
ATOM   769  N N   . GLY   A 1 89  ? -42.489 -16.469 -33.443 1.00 19.17  ? 95  GLY   B N   1 
ATOM   770  C CA  . GLY   A 1 89  ? -43.349 -17.260 -32.576 1.00 20.02  ? 95  GLY   B CA  1 
ATOM   771  C C   . GLY   A 1 89  ? -42.828 -17.451 -31.177 1.00 21.65  ? 95  GLY   B C   1 
ATOM   772  O O   . GLY   A 1 89  ? -41.864 -16.712 -30.759 1.00 20.49  ? 95  GLY   B O   1 
ATOM   773  N N   . GLN   A 1 90  ? -43.456 -18.375 -30.452 1.00 22.33  ? 96  GLN   B N   1 
ATOM   774  C CA  . GLN   A 1 90  ? -43.233 -18.579 -29.011 1.00 23.45  ? 96  GLN   B CA  1 
ATOM   775  C C   . GLN   A 1 90  ? -42.173 -19.655 -28.834 1.00 22.59  ? 96  GLN   B C   1 
ATOM   776  O O   . GLN   A 1 90  ? -42.099 -20.568 -29.653 1.00 23.59  ? 96  GLN   B O   1 
ATOM   777  C CB  . GLN   A 1 90  ? -44.540 -18.971 -28.302 1.00 29.88  ? 96  GLN   B CB  1 
ATOM   778  C CG  . GLN   A 1 90  ? -45.591 -17.886 -28.386 1.00 35.55  ? 96  GLN   B CG  1 
ATOM   779  C CD  . GLN   A 1 90  ? -46.927 -18.432 -27.979 1.00 46.26  ? 96  GLN   B CD  1 
ATOM   780  O OE1 . GLN   A 1 90  ? -47.155 -18.709 -26.804 1.00 55.79  ? 96  GLN   B OE1 1 
ATOM   781  N NE2 . GLN   A 1 90  ? -47.793 -18.632 -28.965 1.00 51.41  ? 96  GLN   B NE2 1 
ATOM   782  N N   . PHE   A 1 91  ? -41.278 -19.463 -27.870 1.00 19.28  ? 97  PHE   B N   1 
ATOM   783  C CA  . PHE   A 1 91  ? -40.243 -20.456 -27.514 1.00 19.75  ? 97  PHE   B CA  1 
ATOM   784  C C   . PHE   A 1 91  ? -39.747 -20.179 -26.101 1.00 18.85  ? 97  PHE   B C   1 
ATOM   785  O O   . PHE   A 1 91  ? -39.909 -19.079 -25.550 1.00 20.28  ? 97  PHE   B O   1 
ATOM   786  C CB  . PHE   A 1 91  ? -39.061 -20.402 -28.486 1.00 19.18  ? 97  PHE   B CB  1 
ATOM   787  C CG  . PHE   A 1 91  ? -38.430 -19.041 -28.620 1.00 18.98  ? 97  PHE   B CG  1 
ATOM   788  C CD1 . PHE   A 1 91  ? -37.440 -18.634 -27.735 1.00 19.40  ? 97  PHE   B CD1 1 
ATOM   789  C CD2 . PHE   A 1 91  ? -38.812 -18.179 -29.623 1.00 19.17  ? 97  PHE   B CD2 1 
ATOM   790  C CE1 . PHE   A 1 91  ? -36.856 -17.385 -27.865 1.00 17.47  ? 97  PHE   B CE1 1 
ATOM   791  C CE2 . PHE   A 1 91  ? -38.176 -16.957 -29.784 1.00 18.82  ? 97  PHE   B CE2 1 
ATOM   792  C CZ  . PHE   A 1 91  ? -37.197 -16.576 -28.913 1.00 18.49  ? 97  PHE   B CZ  1 
ATOM   793  N N   A SER   A 1 92  ? -39.173 -21.196 -25.466 0.25 20.04  ? 98  SER   B N   1 
ATOM   794  N N   B SER   A 1 92  ? -39.166 -21.213 -25.493 0.25 19.23  ? 98  SER   B N   1 
ATOM   795  C CA  A SER   A 1 92  ? -38.555 -21.057 -24.127 0.25 20.36  ? 98  SER   B CA  1 
ATOM   796  C CA  B SER   A 1 92  ? -38.527 -21.147 -24.157 0.25 19.06  ? 98  SER   B CA  1 
ATOM   797  C C   A SER   A 1 92  ? -37.043 -20.862 -24.270 0.25 19.10  ? 98  SER   B C   1 
ATOM   798  C C   B SER   A 1 92  ? -37.030 -20.842 -24.303 0.25 18.33  ? 98  SER   B C   1 
ATOM   799  O O   A SER   A 1 92  ? -36.441 -21.411 -25.212 0.25 19.11  ? 98  SER   B O   1 
ATOM   800  O O   B SER   A 1 92  ? -36.420 -21.289 -25.303 0.25 18.30  ? 98  SER   B O   1 
ATOM   801  C CB  A SER   A 1 92  ? -38.844 -22.247 -23.265 0.25 23.11  ? 98  SER   B CB  1 
ATOM   802  C CB  B SER   A 1 92  ? -38.729 -22.436 -23.393 0.25 20.43  ? 98  SER   B CB  1 
ATOM   803  O OG  A SER   A 1 92  ? -38.577 -23.429 -23.993 0.25 25.41  ? 98  SER   B OG  1 
ATOM   804  O OG  B SER   A 1 92  ? -40.107 -22.639 -23.112 0.25 20.79  ? 98  SER   B OG  1 
ATOM   805  N N   . LEU   A 1 93  ? -36.459 -20.118 -23.337 1.00 18.14  ? 99  LEU   B N   1 
ATOM   806  C CA  . LEU   A 1 93  ? -34.996 -19.935 -23.260 1.00 18.30  ? 99  LEU   B CA  1 
ATOM   807  C C   . LEU   A 1 93  ? -34.404 -21.153 -22.571 1.00 18.51  ? 99  LEU   B C   1 
ATOM   808  O O   . LEU   A 1 93  ? -34.527 -21.303 -21.351 1.00 20.63  ? 99  LEU   B O   1 
ATOM   809  C CB  . LEU   A 1 93  ? -34.643 -18.656 -22.498 1.00 18.47  ? 99  LEU   B CB  1 
ATOM   810  C CG  . LEU   A 1 93  ? -35.109 -17.361 -23.147 1.00 19.66  ? 99  LEU   B CG  1 
ATOM   811  C CD1 . LEU   A 1 93  ? -34.717 -16.154 -22.297 1.00 20.23  ? 99  LEU   B CD1 1 
ATOM   812  C CD2 . LEU   A 1 93  ? -34.590 -17.185 -24.563 1.00 20.68  ? 99  LEU   B CD2 1 
ATOM   813  N N   . SER   A 1 94  ? -33.741 -22.027 -23.318 1.00 16.67  ? 100 SER   B N   1 
ATOM   814  C CA  . SER   A 1 94  ? -33.153 -23.267 -22.773 1.00 16.53  ? 100 SER   B CA  1 
ATOM   815  C C   . SER   A 1 94  ? -31.949 -23.608 -23.623 1.00 14.93  ? 100 SER   B C   1 
ATOM   816  O O   . SER   A 1 94  ? -31.909 -23.272 -24.819 1.00 15.45  ? 100 SER   B O   1 
ATOM   817  C CB  . SER   A 1 94  ? -34.131 -24.439 -22.773 1.00 18.79  ? 100 SER   B CB  1 
ATOM   818  O OG  . SER   A 1 94  ? -34.429 -24.780 -24.115 1.00 21.78  ? 100 SER   B OG  1 
ATOM   819  N N   . PRO   A 1 95  ? -30.994 -24.367 -23.088 1.00 15.16  ? 101 PRO   B N   1 
ATOM   820  C CA  . PRO   A 1 95  ? -29.901 -24.861 -23.924 1.00 15.90  ? 101 PRO   B CA  1 
ATOM   821  C C   . PRO   A 1 95  ? -30.379 -25.744 -25.071 1.00 15.32  ? 101 PRO   B C   1 
ATOM   822  O O   . PRO   A 1 95  ? -29.787 -25.637 -26.175 1.00 15.72  ? 101 PRO   B O   1 
ATOM   823  C CB  . PRO   A 1 95  ? -28.984 -25.591 -22.941 1.00 17.13  ? 101 PRO   B CB  1 
ATOM   824  C CG  . PRO   A 1 95  ? -29.268 -24.877 -21.626 1.00 17.88  ? 101 PRO   B CG  1 
ATOM   825  C CD  . PRO   A 1 95  ? -30.756 -24.603 -21.663 1.00 16.52  ? 101 PRO   B CD  1 
ATOM   826  N N   . GLU   A 1 96  ? -31.465 -26.492 -24.864 1.00 17.24  ? 102 GLU   B N   1 
ATOM   827  C CA  . GLU   A 1 96  ? -32.025 -27.346 -25.956 1.00 20.58  ? 102 GLU   B CA  1 
ATOM   828  C C   . GLU   A 1 96  ? -32.440 -26.465 -27.132 1.00 19.27  ? 102 GLU   B C   1 
ATOM   829  O O   . GLU   A 1 96  ? -32.365 -26.923 -28.305 1.00 20.98  ? 102 GLU   B O   1 
ATOM   830  C CB  . GLU   A 1 96  ? -33.200 -28.180 -25.444 1.00 25.63  ? 102 GLU   B CB  1 
ATOM   831  C CG  . GLU   A 1 96  ? -32.851 -28.944 -24.184 1.00 36.18  ? 102 GLU   B CG  1 
ATOM   832  C CD  . GLU   A 1 96  ? -33.273 -28.289 -22.875 1.00 41.40  ? 102 GLU   B CD  1 
ATOM   833  O OE1 . GLU   A 1 96  ? -32.425 -27.575 -22.235 1.00 28.77  ? 102 GLU   B OE1 1 
ATOM   834  O OE2 . GLU   A 1 96  ? -34.447 -28.548 -22.465 1.00 52.15  ? 102 GLU   B OE2 1 
ATOM   835  N N   . ASN   A 1 97  ? -32.921 -25.240 -26.884 1.00 17.44  ? 103 ASN   B N   1 
ATOM   836  C CA  . ASN   A 1 97  ? -33.319 -24.323 -27.978 1.00 16.68  ? 103 ASN   B CA  1 
ATOM   837  C C   . ASN   A 1 97  ? -32.160 -23.410 -28.389 1.00 16.69  ? 103 ASN   B C   1 
ATOM   838  O O   . ASN   A 1 97  ? -32.376 -22.532 -29.237 1.00 17.46  ? 103 ASN   B O   1 
ATOM   839  C CB  . ASN   A 1 97  ? -34.531 -23.465 -27.594 1.00 18.22  ? 103 ASN   B CB  1 
ATOM   840  C CG  . ASN   A 1 97  ? -35.810 -24.261 -27.520 1.00 22.19  ? 103 ASN   B CG  1 
ATOM   841  O OD1 . ASN   A 1 97  ? -35.907 -25.330 -28.149 1.00 23.94  ? 103 ASN   B OD1 1 
ATOM   842  N ND2 . ASN   A 1 97  ? -36.778 -23.778 -26.746 1.00 23.55  ? 103 ASN   B ND2 1 
ATOM   843  N N   . GLY   A 1 98  ? -30.947 -23.562 -27.843 1.00 14.75  ? 104 GLY   B N   1 
ATOM   844  C CA  . GLY   A 1 98  ? -29.813 -22.747 -28.297 1.00 13.71  ? 104 GLY   B CA  1 
ATOM   845  C C   . GLY   A 1 98  ? -29.564 -21.464 -27.516 1.00 13.91  ? 104 GLY   B C   1 
ATOM   846  O O   . GLY   A 1 98  ? -28.855 -20.610 -28.025 1.00 13.82  ? 104 GLY   B O   1 
ATOM   847  N N   . PHE   A 1 99  ? -29.971 -21.410 -26.240 1.00 15.35  ? 105 PHE   B N   1 
ATOM   848  C CA  . PHE   A 1 99  ? -29.781 -20.208 -25.380 1.00 13.55  ? 105 PHE   B CA  1 
ATOM   849  C C   . PHE   A 1 99  ? -29.078 -20.570 -24.071 1.00 12.40  ? 105 PHE   B C   1 
ATOM   850  O O   . PHE   A 1 99  ? -29.512 -21.568 -23.438 1.00 14.04  ? 105 PHE   B O   1 
ATOM   851  C CB  . PHE   A 1 99  ? -31.134 -19.562 -25.019 1.00 14.10  ? 105 PHE   B CB  1 
ATOM   852  C CG  . PHE   A 1 99  ? -31.925 -19.079 -26.219 1.00 12.94  ? 105 PHE   B CG  1 
ATOM   853  C CD1 . PHE   A 1 99  ? -32.839 -19.914 -26.829 1.00 14.30  ? 105 PHE   B CD1 1 
ATOM   854  C CD2 . PHE   A 1 99  ? -31.805 -17.783 -26.677 1.00 13.48  ? 105 PHE   B CD2 1 
ATOM   855  C CE1 . PHE   A 1 99  ? -33.568 -19.487 -27.926 1.00 14.90  ? 105 PHE   B CE1 1 
ATOM   856  C CE2 . PHE   A 1 99  ? -32.552 -17.338 -27.756 1.00 14.26  ? 105 PHE   B CE2 1 
ATOM   857  C CZ  . PHE   A 1 99  ? -33.450 -18.183 -28.354 1.00 13.84  ? 105 PHE   B CZ  1 
ATOM   858  N N   . TRP   A 1 100 ? -28.125 -19.749 -23.661 1.00 12.16  ? 106 TRP   B N   1 
ATOM   859  C CA  . TRP   A 1 100 ? -27.430 -19.849 -22.350 1.00 12.23  ? 106 TRP   B CA  1 
ATOM   860  C C   . TRP   A 1 100 ? -27.590 -18.477 -21.669 1.00 11.69  ? 106 TRP   B C   1 
ATOM   861  O O   . TRP   A 1 100 ? -26.835 -17.548 -22.013 1.00 11.87  ? 106 TRP   B O   1 
ATOM   862  C CB  . TRP   A 1 100 ? -25.974 -20.310 -22.511 1.00 12.78  ? 106 TRP   B CB  1 
ATOM   863  C CG  . TRP   A 1 100 ? -25.910 -21.681 -23.127 1.00 12.70  ? 106 TRP   B CG  1 
ATOM   864  C CD1 . TRP   A 1 100 ? -25.820 -22.877 -22.472 1.00 13.72  ? 106 TRP   B CD1 1 
ATOM   865  C CD2 . TRP   A 1 100 ? -25.949 -22.006 -24.539 1.00 13.29  ? 106 TRP   B CD2 1 
ATOM   866  N NE1 . TRP   A 1 100 ? -25.842 -23.924 -23.387 1.00 14.52  ? 106 TRP   B NE1 1 
ATOM   867  C CE2 . TRP   A 1 100 ? -25.905 -23.418 -24.644 1.00 13.91  ? 106 TRP   B CE2 1 
ATOM   868  C CE3 . TRP   A 1 100 ? -26.007 -21.239 -25.695 1.00 13.27  ? 106 TRP   B CE3 1 
ATOM   869  C CZ2 . TRP   A 1 100 ? -25.983 -24.077 -25.877 1.00 15.04  ? 106 TRP   B CZ2 1 
ATOM   870  C CZ3 . TRP   A 1 100 ? -26.044 -21.900 -26.910 1.00 14.92  ? 106 TRP   B CZ3 1 
ATOM   871  C CH2 . TRP   A 1 100 ? -26.027 -23.277 -26.991 1.00 14.40  ? 106 TRP   B CH2 1 
ATOM   872  N N   . THR   A 1 101 ? -28.594 -18.400 -20.786 1.00 12.38  ? 107 THR   B N   1 
ATOM   873  C CA  . THR   A 1 101 ? -29.092 -17.092 -20.309 1.00 11.91  ? 107 THR   B CA  1 
ATOM   874  C C   . THR   A 1 101 ? -29.417 -17.146 -18.809 1.00 12.23  ? 107 THR   B C   1 
ATOM   875  O O   . THR   A 1 101 ? -29.678 -18.219 -18.267 1.00 13.06  ? 107 THR   B O   1 
ATOM   876  C CB  . THR   A 1 101 ? -30.349 -16.652 -21.067 1.00 12.22  ? 107 THR   B CB  1 
ATOM   877  O OG1 . THR   A 1 101 ? -31.405 -17.573 -20.833 1.00 13.47  ? 107 THR   B OG1 1 
ATOM   878  C CG2 . THR   A 1 101 ? -30.048 -16.514 -22.547 1.00 13.05  ? 107 THR   B CG2 1 
ATOM   879  N N   . ILE   A 1 102 ? -29.449 -15.962 -18.220 1.00 11.96  ? 108 ILE   B N   1 
ATOM   880  C CA  . ILE   A 1 102 ? -30.083 -15.726 -16.883 1.00 12.01  ? 108 ILE   B CA  1 
ATOM   881  C C   . ILE   A 1 102 ? -31.110 -14.612 -17.080 1.00 12.59  ? 108 ILE   B C   1 
ATOM   882  O O   . ILE   A 1 102 ? -31.044 -13.864 -18.073 1.00 12.34  ? 108 ILE   B O   1 
ATOM   883  C CB  . ILE   A 1 102 ? -29.054 -15.403 -15.781 1.00 13.20  ? 108 ILE   B CB  1 
ATOM   884  C CG1 . ILE   A 1 102 ? -28.384 -14.036 -15.963 1.00 13.69  ? 108 ILE   B CG1 1 
ATOM   885  C CG2 . ILE   A 1 102 ? -28.055 -16.531 -15.662 1.00 13.49  ? 108 ILE   B CG2 1 
ATOM   886  C CD1 . ILE   A 1 102 ? -27.579 -13.605 -14.765 1.00 14.25  ? 108 ILE   B CD1 1 
ATOM   887  N N   . TRP   A 1 103 ? -31.962 -14.459 -16.072 1.00 12.18  ? 109 TRP   B N   1 
ATOM   888  C CA  . TRP   A 1 103 ? -32.981 -13.388 -16.143 1.00 12.37  ? 109 TRP   B CA  1 
ATOM   889  C C   . TRP   A 1 103 ? -33.398 -12.933 -14.769 1.00 13.66  ? 109 TRP   B C   1 
ATOM   890  O O   . TRP   A 1 103 ? -33.221 -13.612 -13.750 1.00 13.94  ? 109 TRP   B O   1 
ATOM   891  C CB  . TRP   A 1 103 ? -34.159 -13.820 -16.962 1.00 15.62  ? 109 TRP   B CB  1 
ATOM   892  C CG  . TRP   A 1 103 ? -34.981 -14.940 -16.416 1.00 17.34  ? 109 TRP   B CG  1 
ATOM   893  C CD1 . TRP   A 1 103 ? -35.830 -14.929 -15.336 1.00 19.07  ? 109 TRP   B CD1 1 
ATOM   894  C CD2 . TRP   A 1 103 ? -35.113 -16.208 -17.027 1.00 18.83  ? 109 TRP   B CD2 1 
ATOM   895  N NE1 . TRP   A 1 103 ? -36.498 -16.106 -15.256 1.00 22.08  ? 109 TRP   B NE1 1 
ATOM   896  C CE2 . TRP   A 1 103 ? -36.091 -16.906 -16.291 1.00 19.28  ? 109 TRP   B CE2 1 
ATOM   897  C CE3 . TRP   A 1 103 ? -34.526 -16.779 -18.161 1.00 19.16  ? 109 TRP   B CE3 1 
ATOM   898  C CZ2 . TRP   A 1 103 ? -36.452 -18.203 -16.605 1.00 21.81  ? 109 TRP   B CZ2 1 
ATOM   899  C CZ3 . TRP   A 1 103 ? -34.955 -18.034 -18.505 1.00 22.07  ? 109 TRP   B CZ3 1 
ATOM   900  C CH2 . TRP   A 1 103 ? -35.886 -18.720 -17.749 1.00 20.78  ? 109 TRP   B CH2 1 
ATOM   901  N N   . LEU   A 1 104 ? -34.009 -11.733 -14.791 1.00 13.67  ? 110 LEU   B N   1 
ATOM   902  C CA  . LEU   A 1 104 ? -34.769 -11.180 -13.668 1.00 13.77  ? 110 LEU   B CA  1 
ATOM   903  C C   . LEU   A 1 104 ? -36.243 -11.171 -14.062 1.00 13.35  ? 110 LEU   B C   1 
ATOM   904  O O   . LEU   A 1 104 ? -36.562 -10.691 -15.145 1.00 13.88  ? 110 LEU   B O   1 
ATOM   905  C CB  . LEU   A 1 104 ? -34.327 -9.765  -13.340 1.00 13.89  ? 110 LEU   B CB  1 
ATOM   906  C CG  . LEU   A 1 104 ? -35.163 -8.989  -12.314 1.00 14.24  ? 110 LEU   B CG  1 
ATOM   907  C CD1 . LEU   A 1 104 ? -35.152 -9.659  -10.942 1.00 15.41  ? 110 LEU   B CD1 1 
ATOM   908  C CD2 . LEU   A 1 104 ? -34.681 -7.561  -12.217 1.00 16.21  ? 110 LEU   B CD2 1 
ATOM   909  N N   . TRP   A 1 105 ? -37.122 -11.620 -13.153 1.00 14.55  ? 111 TRP   B N   1 
ATOM   910  C CA  . TRP   A 1 105 ? -38.574 -11.651 -13.383 1.00 15.96  ? 111 TRP   B CA  1 
ATOM   911  C C   . TRP   A 1 105 ? -39.274 -11.654 -12.035 1.00 16.34  ? 111 TRP   B C   1 
ATOM   912  O O   . TRP   A 1 105 ? -38.991 -12.555 -11.230 1.00 16.96  ? 111 TRP   B O   1 
ATOM   913  C CB  . TRP   A 1 105 ? -38.934 -12.908 -14.188 1.00 20.97  ? 111 TRP   B CB  1 
ATOM   914  C CG  . TRP   A 1 105 ? -40.383 -13.158 -14.328 1.00 25.04  ? 111 TRP   B CG  1 
ATOM   915  C CD1 . TRP   A 1 105 ? -41.162 -14.111 -13.719 1.00 23.86  ? 111 TRP   B CD1 1 
ATOM   916  C CD2 . TRP   A 1 105 ? -41.236 -12.370 -15.138 1.00 23.96  ? 111 TRP   B CD2 1 
ATOM   917  N NE1 . TRP   A 1 105 ? -42.441 -13.993 -14.157 1.00 25.59  ? 111 TRP   B NE1 1 
ATOM   918  C CE2 . TRP   A 1 105 ? -42.522 -12.934 -15.021 1.00 22.51  ? 111 TRP   B CE2 1 
ATOM   919  C CE3 . TRP   A 1 105 ? -41.038 -11.271 -15.968 1.00 22.79  ? 111 TRP   B CE3 1 
ATOM   920  C CZ2 . TRP   A 1 105 ? -43.611 -12.436 -15.708 1.00 31.05  ? 111 TRP   B CZ2 1 
ATOM   921  C CZ3 . TRP   A 1 105 ? -42.117 -10.777 -16.647 1.00 30.61  ? 111 TRP   B CZ3 1 
ATOM   922  C CH2 . TRP   A 1 105 ? -43.389 -11.321 -16.485 1.00 30.61  ? 111 TRP   B CH2 1 
ATOM   923  N N   . GLN   A 1 106 ? -40.154 -10.666 -11.805 1.00 15.98  ? 112 GLN   B N   1 
ATOM   924  C CA  . GLN   A 1 106 ? -40.973 -10.660 -10.553 1.00 16.01  ? 112 GLN   B CA  1 
ATOM   925  C C   . GLN   A 1 106 ? -40.099 -10.860 -9.335  1.00 17.78  ? 112 GLN   B C   1 
ATOM   926  O O   . GLN   A 1 106 ? -40.434 -11.734 -8.440  1.00 20.48  ? 112 GLN   B O   1 
ATOM   927  C CB  . GLN   A 1 106 ? -42.091 -11.703 -10.688 1.00 18.30  ? 112 GLN   B CB  1 
ATOM   928  C CG  . GLN   A 1 106 ? -43.035 -11.373 -11.825 1.00 17.99  ? 112 GLN   B CG  1 
ATOM   929  C CD  . GLN   A 1 106 ? -44.325 -12.163 -11.868 1.00 22.07  ? 112 GLN   B CD  1 
ATOM   930  O OE1 . GLN   A 1 106 ? -45.283 -11.795 -12.596 1.00 24.37  ? 112 GLN   B OE1 1 
ATOM   931  N NE2 . GLN   A 1 106 ? -44.363 -13.245 -11.122 1.00 19.76  ? 112 GLN   B NE2 1 
ATOM   932  N N   . ASP   A 1 107 ? -39.060 -10.056 -9.217  1.00 18.80  ? 113 ASP   B N   1 
ATOM   933  C CA  . ASP   A 1 107 ? -38.244 -10.000 -8.001  1.00 23.28  ? 113 ASP   B CA  1 
ATOM   934  C C   . ASP   A 1 107 ? -37.464 -11.306 -7.760  1.00 24.51  ? 113 ASP   B C   1 
ATOM   935  O O   . ASP   A 1 107 ? -36.920 -11.466 -6.654  1.00 30.48  ? 113 ASP   B O   1 
ATOM   936  C CB  . ASP   A 1 107 ? -39.193 -9.775  -6.823  1.00 28.72  ? 113 ASP   B CB  1 
ATOM   937  C CG  . ASP   A 1 107 ? -38.678 -8.867  -5.748  1.00 40.61  ? 113 ASP   B CG  1 
ATOM   938  O OD1 . ASP   A 1 107 ? -37.730 -8.101  -6.017  1.00 47.00  ? 113 ASP   B OD1 1 
ATOM   939  O OD2 . ASP   A 1 107 ? -39.276 -8.918  -4.640  1.00 57.88  ? 113 ASP   B OD2 1 
ATOM   940  N N   . SER   A 1 108 ? -37.350 -12.205 -8.727  1.00 19.64  ? 114 SER   B N   1 
ATOM   941  C CA  . SER   A 1 108 ? -36.443 -13.374 -8.585  1.00 20.91  ? 114 SER   B CA  1 
ATOM   942  C C   . SER   A 1 108 ? -35.481 -13.449 -9.777  1.00 17.15  ? 114 SER   B C   1 
ATOM   943  O O   . SER   A 1 108 ? -35.861 -13.120 -10.973 1.00 16.40  ? 114 SER   B O   1 
ATOM   944  C CB  . SER   A 1 108 ? -37.231 -14.633 -8.302  1.00 27.59  ? 114 SER   B CB  1 
ATOM   945  O OG  . SER   A 1 108 ? -37.832 -15.143 -9.462  1.00 37.50  ? 114 SER   B OG  1 
ATOM   946  N N   . TYR   A 1 109 ? -34.278 -13.929 -9.510  1.00 16.22  ? 115 TYR   B N   1 
ATOM   947  C CA  . TYR   A 1 109 ? -33.265 -14.189 -10.569 1.00 15.38  ? 115 TYR   B CA  1 
ATOM   948  C C   . TYR   A 1 109 ? -33.223 -15.692 -10.822 1.00 14.90  ? 115 TYR   B C   1 
ATOM   949  O O   . TYR   A 1 109 ? -33.207 -16.497 -9.867  1.00 15.77  ? 115 TYR   B O   1 
ATOM   950  C CB  . TYR   A 1 109 ? -31.908 -13.655 -10.134 1.00 14.46  ? 115 TYR   B CB  1 
ATOM   951  C CG  . TYR   A 1 109 ? -31.866 -12.155 -9.901  1.00 14.79  ? 115 TYR   B CG  1 
ATOM   952  C CD1 . TYR   A 1 109 ? -32.122 -11.607 -8.657  1.00 15.98  ? 115 TYR   B CD1 1 
ATOM   953  C CD2 . TYR   A 1 109 ? -31.491 -11.301 -10.918 1.00 14.79  ? 115 TYR   B CD2 1 
ATOM   954  C CE1 . TYR   A 1 109 ? -32.046 -10.237 -8.440  1.00 17.00  ? 115 TYR   B CE1 1 
ATOM   955  C CE2 . TYR   A 1 109 ? -31.445 -9.931  -10.718 1.00 14.94  ? 115 TYR   B CE2 1 
ATOM   956  C CZ  . TYR   A 1 109 ? -31.693 -9.398  -9.473  1.00 17.05  ? 115 TYR   B CZ  1 
ATOM   957  O OH  . TYR   A 1 109 ? -31.662 -8.045  -9.230  1.00 17.44  ? 115 TYR   B OH  1 
ATOM   958  N N   A GLU   A 1 110 ? -33.199 -16.090 -12.096 0.25 14.68  ? 116 GLU   B N   1 
ATOM   959  N N   B GLU   A 1 110 ? -33.256 -16.081 -12.102 0.25 14.21  ? 116 GLU   B N   1 
ATOM   960  C CA  A GLU   A 1 110 ? -33.221 -17.526 -12.482 0.25 15.49  ? 116 GLU   B CA  1 
ATOM   961  C CA  B GLU   A 1 110 ? -33.255 -17.503 -12.541 0.25 14.65  ? 116 GLU   B CA  1 
ATOM   962  C C   A GLU   A 1 110 ? -32.320 -17.771 -13.695 0.25 13.83  ? 116 GLU   B C   1 
ATOM   963  C C   B GLU   A 1 110 ? -32.194 -17.712 -13.633 0.25 13.31  ? 116 GLU   B C   1 
ATOM   964  O O   A GLU   A 1 110 ? -32.263 -16.917 -14.585 0.25 13.58  ? 116 GLU   B O   1 
ATOM   965  O O   B GLU   A 1 110 ? -31.845 -16.755 -14.358 0.25 12.77  ? 116 GLU   B O   1 
ATOM   966  C CB  A GLU   A 1 110 ? -34.641 -17.993 -12.782 0.25 16.80  ? 116 GLU   B CB  1 
ATOM   967  C CB  B GLU   A 1 110 ? -34.622 -17.944 -13.066 0.25 15.24  ? 116 GLU   B CB  1 
ATOM   968  C CG  A GLU   A 1 110 ? -35.585 -17.787 -11.606 0.25 18.87  ? 116 GLU   B CG  1 
ATOM   969  C CG  B GLU   A 1 110 ? -35.758 -17.787 -12.061 0.25 17.13  ? 116 GLU   B CG  1 
ATOM   970  C CD  A GLU   A 1 110 ? -37.014 -18.205 -11.881 0.25 21.57  ? 116 GLU   B CD  1 
ATOM   971  C CD  B GLU   A 1 110 ? -35.859 -18.896 -11.023 0.25 17.92  ? 116 GLU   B CD  1 
ATOM   972  O OE1 A GLU   A 1 110 ? -37.513 -17.878 -12.973 0.25 22.84  ? 116 GLU   B OE1 1 
ATOM   973  O OE1 B GLU   A 1 110 ? -35.504 -20.046 -11.332 0.25 22.60  ? 116 GLU   B OE1 1 
ATOM   974  O OE2 A GLU   A 1 110 ? -37.623 -18.865 -11.006 0.25 22.64  ? 116 GLU   B OE2 1 
ATOM   975  O OE2 B GLU   A 1 110 ? -36.318 -18.607 -9.924  0.25 23.73  ? 116 GLU   B OE2 1 
ATOM   976  N N   . ALA   A 1 111 ? -31.671 -18.934 -13.723 1.00 13.79  ? 117 ALA   B N   1 
ATOM   977  C CA  . ALA   A 1 111 ? -30.920 -19.377 -14.910 1.00 13.15  ? 117 ALA   B CA  1 
ATOM   978  C C   . ALA   A 1 111 ? -31.864 -20.105 -15.847 1.00 14.13  ? 117 ALA   B C   1 
ATOM   979  O O   . ALA   A 1 111 ? -32.705 -20.919 -15.411 1.00 14.86  ? 117 ALA   B O   1 
ATOM   980  C CB  . ALA   A 1 111 ? -29.765 -20.285 -14.528 1.00 13.56  ? 117 ALA   B CB  1 
ATOM   981  N N   . GLY   A 1 112 ? -31.694 -19.867 -17.157 1.00 14.50  ? 118 GLY   B N   1 
ATOM   982  C CA  . GLY   A 1 112 ? -32.518 -20.460 -18.229 1.00 15.44  ? 118 GLY   B CA  1 
ATOM   983  C C   . GLY   A 1 112 ? -32.169 -21.903 -18.529 1.00 15.54  ? 118 GLY   B C   1 
ATOM   984  O O   . GLY   A 1 112 ? -31.878 -22.250 -19.647 1.00 17.60  ? 118 GLY   B O   1 
ATOM   985  N N   . THR   A 1 113 ? -32.164 -22.757 -17.533 1.00 17.89  ? 119 THR   B N   1 
ATOM   986  C CA  . THR   A 1 113 ? -32.171 -24.221 -17.726 1.00 19.26  ? 119 THR   B CA  1 
ATOM   987  C C   . THR   A 1 113 ? -33.622 -24.675 -17.959 1.00 19.78  ? 119 THR   B C   1 
ATOM   988  O O   . THR   A 1 113 ? -34.542 -23.876 -17.786 1.00 23.34  ? 119 THR   B O   1 
ATOM   989  C CB  . THR   A 1 113 ? -31.536 -24.843 -16.497 1.00 17.19  ? 119 THR   B CB  1 
ATOM   990  O OG1 . THR   A 1 113 ? -32.231 -24.354 -15.326 1.00 16.71  ? 119 THR   B OG1 1 
ATOM   991  C CG2 . THR   A 1 113 ? -30.079 -24.560 -16.315 1.00 19.32  ? 119 THR   B CG2 1 
ATOM   992  N N   . SER   A 1 114 ? -33.838 -25.943 -18.297 1.00 24.81  ? 120 SER   B N   1 
ATOM   993  C CA  . SER   A 1 114 ? -35.202 -26.500 -18.457 1.00 27.91  ? 120 SER   B CA  1 
ATOM   994  C C   . SER   A 1 114 ? -35.388 -27.658 -17.477 1.00 28.63  ? 120 SER   B C   1 
ATOM   995  O O   . SER   A 1 114 ? -34.763 -28.702 -17.606 1.00 30.41  ? 120 SER   B O   1 
ATOM   996  C CB  . SER   A 1 114 ? -35.426 -26.946 -19.886 1.00 32.01  ? 120 SER   B CB  1 
ATOM   997  O OG  . SER   A 1 114 ? -36.792 -27.310 -20.050 1.00 38.15  ? 120 SER   B OG  1 
ATOM   998  N N   . PRO   A 1 115 ? -36.151 -27.499 -16.387 1.00 27.88  ? 121 PRO   B N   1 
ATOM   999  C CA  . PRO   A 1 115 ? -36.785 -26.240 -16.012 1.00 28.81  ? 121 PRO   B CA  1 
ATOM   1000 C C   . PRO   A 1 115 ? -35.776 -25.265 -15.386 1.00 23.69  ? 121 PRO   B C   1 
ATOM   1001 O O   . PRO   A 1 115 ? -34.638 -25.640 -15.121 1.00 21.36  ? 121 PRO   B O   1 
ATOM   1002 C CB  . PRO   A 1 115 ? -37.794 -26.704 -14.960 1.00 32.09  ? 121 PRO   B CB  1 
ATOM   1003 C CG  . PRO   A 1 115 ? -37.043 -27.826 -14.245 1.00 30.58  ? 121 PRO   B CG  1 
ATOM   1004 C CD  . PRO   A 1 115 ? -36.289 -28.542 -15.346 1.00 31.42  ? 121 PRO   B CD  1 
ATOM   1005 N N   . GLN   A 1 116 ? -36.211 -24.041 -15.141 1.00 23.81  ? 122 GLN   B N   1 
ATOM   1006 C CA  . GLN   A 1 116 ? -35.320 -22.937 -14.716 1.00 21.22  ? 122 GLN   B CA  1 
ATOM   1007 C C   . GLN   A 1 116 ? -34.779 -23.187 -13.297 1.00 18.97  ? 122 GLN   B C   1 
ATOM   1008 O O   . GLN   A 1 116 ? -35.416 -23.912 -12.521 1.00 20.59  ? 122 GLN   B O   1 
ATOM   1009 C CB  . GLN   A 1 116 ? -36.028 -21.589 -14.855 1.00 25.39  ? 122 GLN   B CB  1 
ATOM   1010 C CG  . GLN   A 1 116 ? -37.071 -21.267 -13.798 1.00 30.38  ? 122 GLN   B CG  1 
ATOM   1011 C CD  . GLN   A 1 116 ? -38.486 -21.517 -14.259 1.00 38.78  ? 122 GLN   B CD  1 
ATOM   1012 O OE1 . GLN   A 1 116 ? -38.764 -22.421 -15.054 1.00 42.82  ? 122 GLN   B OE1 1 
ATOM   1013 N NE2 . GLN   A 1 116 ? -39.406 -20.756 -13.694 1.00 45.31  ? 122 GLN   B NE2 1 
ATOM   1014 N N   . THR   A 1 117 ? -33.607 -22.634 -13.015 1.00 15.41  ? 123 THR   B N   1 
ATOM   1015 C CA  . THR   A 1 117 ? -32.869 -22.797 -11.754 1.00 15.29  ? 123 THR   B CA  1 
ATOM   1016 C C   . THR   A 1 117 ? -32.931 -21.480 -10.976 1.00 14.97  ? 123 THR   B C   1 
ATOM   1017 O O   . THR   A 1 117 ? -32.427 -20.436 -11.484 1.00 15.96  ? 123 THR   B O   1 
ATOM   1018 C CB  . THR   A 1 117 ? -31.438 -23.280 -12.035 1.00 15.98  ? 123 THR   B CB  1 
ATOM   1019 O OG1 . THR   A 1 117 ? -31.542 -24.507 -12.753 1.00 17.14  ? 123 THR   B OG1 1 
ATOM   1020 C CG2 . THR   A 1 117 ? -30.666 -23.462 -10.756 1.00 16.35  ? 123 THR   B CG2 1 
ATOM   1021 N N   . THR   A 1 118 ? -33.280 -21.540 -9.683  1.00 16.21  ? 124 THR   B N   1 
ATOM   1022 C CA  . THR   A 1 118 ? -33.194 -20.405 -8.756  1.00 16.78  ? 124 THR   B CA  1 
ATOM   1023 C C   . THR   A 1 118 ? -31.764 -19.943 -8.538  1.00 16.21  ? 124 THR   B C   1 
ATOM   1024 O O   . THR   A 1 118 ? -30.843 -20.814 -8.275  1.00 18.54  ? 124 THR   B O   1 
ATOM   1025 C CB  . THR   A 1 118 ? -33.810 -20.826 -7.410  1.00 20.37  ? 124 THR   B CB  1 
ATOM   1026 O OG1 . THR   A 1 118 ? -35.166 -21.148 -7.683  1.00 23.23  ? 124 THR   B OG1 1 
ATOM   1027 C CG2 . THR   A 1 118 ? -33.613 -19.764 -6.364  1.00 24.49  ? 124 THR   B CG2 1 
ATOM   1028 N N   . LEU   A 1 119 ? -31.509 -18.640 -8.646  1.00 14.80  ? 125 LEU   B N   1 
ATOM   1029 C CA  . LEU   A 1 119 ? -30.211 -18.007 -8.395  1.00 14.22  ? 125 LEU   B CA  1 
ATOM   1030 C C   . LEU   A 1 119 ? -30.281 -17.400 -6.981  1.00 18.53  ? 125 LEU   B C   1 
ATOM   1031 O O   . LEU   A 1 119 ? -31.381 -16.972 -6.562  1.00 24.70  ? 125 LEU   B O   1 
ATOM   1032 C CB  . LEU   A 1 119 ? -29.822 -16.962 -9.451  1.00 14.81  ? 125 LEU   B CB  1 
ATOM   1033 C CG  . LEU   A 1 119 ? -29.771 -17.515 -10.884 1.00 13.87  ? 125 LEU   B CG  1 
ATOM   1034 C CD1 . LEU   A 1 119 ? -29.561 -16.400 -11.884 1.00 14.89  ? 125 LEU   B CD1 1 
ATOM   1035 C CD2 . LEU   A 1 119 ? -28.682 -18.575 -11.018 1.00 15.18  ? 125 LEU   B CD2 1 
ATOM   1036 N N   . HIS   A 1 120 ? -29.189 -17.396 -6.256  1.00 17.11  ? 126 HIS   B N   1 
ATOM   1037 C CA  . HIS   A 1 120 ? -29.132 -16.908 -4.860  1.00 16.76  ? 126 HIS   B CA  1 
ATOM   1038 C C   . HIS   A 1 120 ? -28.313 -15.627 -4.871  1.00 19.37  ? 126 HIS   B C   1 
ATOM   1039 O O   . HIS   A 1 120 ? -27.070 -15.677 -4.763  1.00 25.28  ? 126 HIS   B O   1 
ATOM   1040 C CB  . HIS   A 1 120 ? -28.476 -17.994 -3.992  1.00 17.85  ? 126 HIS   B CB  1 
ATOM   1041 C CG  . HIS   A 1 120 ? -29.231 -19.295 -3.958  1.00 18.70  ? 126 HIS   B CG  1 
ATOM   1042 N ND1 . HIS   A 1 120 ? -28.905 -20.384 -4.778  1.00 22.32  ? 126 HIS   B ND1 1 
ATOM   1043 C CD2 . HIS   A 1 120 ? -30.324 -19.673 -3.287  1.00 20.55  ? 126 HIS   B CD2 1 
ATOM   1044 C CE1 . HIS   A 1 120 ? -29.782 -21.345 -4.581  1.00 23.36  ? 126 HIS   B CE1 1 
ATOM   1045 N NE2 . HIS   A 1 120 ? -30.626 -20.976 -3.641  1.00 20.56  ? 126 HIS   B NE2 1 
ATOM   1046 N N   . ILE   A 1 121 ? -28.948 -14.489 -5.059  1.00 21.51  ? 127 ILE   B N   1 
ATOM   1047 C CA  . ILE   A 1 121 ? -28.219 -13.202 -5.186  1.00 23.59  ? 127 ILE   B CA  1 
ATOM   1048 C C   . ILE   A 1 121 ? -28.523 -12.367 -3.921  1.00 23.71  ? 127 ILE   B C   1 
ATOM   1049 O O   . ILE   A 1 121 ? -29.698 -12.132 -3.668  1.00 30.01  ? 127 ILE   B O   1 
ATOM   1050 C CB  . ILE   A 1 121 ? -28.674 -12.541 -6.494  1.00 25.59  ? 127 ILE   B CB  1 
ATOM   1051 C CG1 . ILE   A 1 121 ? -28.138 -13.343 -7.696  1.00 23.69  ? 127 ILE   B CG1 1 
ATOM   1052 C CG2 . ILE   A 1 121 ? -28.266 -11.069 -6.494  1.00 30.80  ? 127 ILE   B CG2 1 
ATOM   1053 C CD1 . ILE   A 1 121 ? -28.312 -12.677 -9.035  1.00 26.00  ? 127 ILE   B CD1 1 
ATOM   1054 N N   . GLN   A 1 122 ? -27.509 -12.000 -3.153  1.00 28.81  ? 128 GLN   B N   1 
ATOM   1055 C CA  . GLN   A 1 122 ? -27.731 -11.218 -1.903  1.00 33.08  ? 128 GLN   B CA  1 
ATOM   1056 C C   . GLN   A 1 122 ? -27.722 -9.721  -2.247  1.00 27.68  ? 128 GLN   B C   1 
ATOM   1057 O O   . GLN   A 1 122 ? -28.460 -8.955  -1.604  1.00 27.25  ? 128 GLN   B O   1 
ATOM   1058 C CB  . GLN   A 1 122 ? -26.685 -11.643 -0.868  1.00 39.67  ? 128 GLN   B CB  1 
ATOM   1059 C CG  . GLN   A 1 122 ? -26.773 -10.890 0.463   1.00 53.79  ? 128 GLN   B CG  1 
ATOM   1060 C CD  . GLN   A 1 122 ? -28.083 -11.018 1.216   1.00 59.54  ? 128 GLN   B CD  1 
ATOM   1061 O OE1 . GLN   A 1 122 ? -28.920 -11.884 0.950   1.00 64.93  ? 128 GLN   B OE1 1 
ATOM   1062 N NE2 . GLN   A 1 122 ? -28.276 -10.131 2.180   1.00 63.80  ? 128 GLN   B NE2 1 
ATOM   1063 N N   . VAL   A 1 123 ? -26.978 -9.330  -3.271  1.00 23.27  ? 129 VAL   B N   1 
ATOM   1064 C CA  . VAL   A 1 123 ? -26.818 -7.904  -3.683  1.00 21.35  ? 129 VAL   B CA  1 
ATOM   1065 C C   . VAL   A 1 123 ? -27.405 -7.729  -5.080  1.00 21.10  ? 129 VAL   B C   1 
ATOM   1066 O O   . VAL   A 1 123 ? -26.758 -8.176  -6.041  1.00 21.42  ? 129 VAL   B O   1 
ATOM   1067 C CB  . VAL   A 1 123 ? -25.347 -7.467  -3.646  1.00 23.29  ? 129 VAL   B CB  1 
ATOM   1068 C CG1 . VAL   A 1 123 ? -25.158 -6.041  -4.146  1.00 24.47  ? 129 VAL   B CG1 1 
ATOM   1069 C CG2 . VAL   A 1 123 ? -24.752 -7.595  -2.253  1.00 26.97  ? 129 VAL   B CG2 1 
ATOM   1070 N N   . PRO   A 1 124 ? -28.632 -7.181  -5.254  1.00 20.57  ? 130 PRO   B N   1 
ATOM   1071 C CA  . PRO   A 1 124 ? -29.227 -7.056  -6.585  1.00 20.19  ? 130 PRO   B CA  1 
ATOM   1072 C C   . PRO   A 1 124 ? -28.228 -6.396  -7.512  1.00 20.31  ? 130 PRO   B C   1 
ATOM   1073 O O   . PRO   A 1 124 ? -27.761 -5.317  -7.224  1.00 19.67  ? 130 PRO   B O   1 
ATOM   1074 C CB  . PRO   A 1 124 ? -30.467 -6.181  -6.306  1.00 23.63  ? 130 PRO   B CB  1 
ATOM   1075 C CG  . PRO   A 1 124 ? -30.860 -6.620  -4.897  1.00 23.01  ? 130 PRO   B CG  1 
ATOM   1076 C CD  . PRO   A 1 124 ? -29.546 -6.681  -4.195  1.00 22.91  ? 130 PRO   B CD  1 
ATOM   1077 N N   . PRO   A 1 125 ? -27.847 -6.999  -8.664  1.00 17.51  ? 131 PRO   B N   1 
ATOM   1078 C CA  . PRO   A 1 125 ? -26.840 -6.397  -9.525  1.00 16.93  ? 131 PRO   B CA  1 
ATOM   1079 C C   . PRO   A 1 125 ? -27.324 -5.193  -10.335 1.00 16.40  ? 131 PRO   B C   1 
ATOM   1080 O O   . PRO   A 1 125 ? -28.429 -5.253  -10.859 1.00 17.45  ? 131 PRO   B O   1 
ATOM   1081 C CB  . PRO   A 1 125 ? -26.408 -7.575  -10.433 1.00 18.46  ? 131 PRO   B CB  1 
ATOM   1082 C CG  . PRO   A 1 125 ? -27.555 -8.509  -10.403 1.00 19.60  ? 131 PRO   B CG  1 
ATOM   1083 C CD  . PRO   A 1 125 ? -28.188 -8.382  -9.043  1.00 17.94  ? 131 PRO   B CD  1 
ATOM   1084 N N   . CYS   A 1 126 ? -26.453 -4.195  -10.468 1.00 17.13  ? 132 CYS   B N   1 
ATOM   1085 C CA  . CYS   A 1 126 ? -26.650 -3.068  -11.402 1.00 19.03  ? 132 CYS   B CA  1 
ATOM   1086 C C   . CYS   A 1 126 ? -25.884 -3.340  -12.691 1.00 16.76  ? 132 CYS   B C   1 
ATOM   1087 O O   . CYS   A 1 126 ? -26.233 -2.782  -13.720 1.00 15.93  ? 132 CYS   B O   1 
ATOM   1088 C CB  . CYS   A 1 126 ? -26.229 -1.734  -10.805 1.00 22.71  ? 132 CYS   B CB  1 
ATOM   1089 S SG  . CYS   A 1 126 ? -27.319 -1.278  -9.420  1.00 29.81  ? 132 CYS   B SG  1 
ATOM   1090 N N   A GLN   A 1 127 ? -24.809 -4.142  -12.644 0.25 17.20  ? 133 GLN   B N   1 
ATOM   1091 N N   B GLN   A 1 127 ? -24.893 -4.232  -12.615 0.25 17.14  ? 133 GLN   B N   1 
ATOM   1092 C CA  A GLN   A 1 127 ? -24.059 -4.547  -13.869 0.25 17.28  ? 133 GLN   B CA  1 
ATOM   1093 C CA  B GLN   A 1 127 ? -24.018 -4.581  -13.760 0.25 17.60  ? 133 GLN   B CA  1 
ATOM   1094 C C   A GLN   A 1 127 ? -23.664 -6.024  -13.768 0.25 17.18  ? 133 GLN   B C   1 
ATOM   1095 C C   B GLN   A 1 127 ? -23.765 -6.092  -13.723 0.25 17.46  ? 133 GLN   B C   1 
ATOM   1096 O O   A GLN   A 1 127 ? -23.243 -6.466  -12.687 0.25 15.60  ? 133 GLN   B O   1 
ATOM   1097 O O   B GLN   A 1 127 ? -23.657 -6.669  -12.622 0.25 15.71  ? 133 GLN   B O   1 
ATOM   1098 C CB  A GLN   A 1 127 ? -22.783 -3.741  -14.134 0.25 19.53  ? 133 GLN   B CB  1 
ATOM   1099 C CB  B GLN   A 1 127 ? -22.733 -3.749  -13.724 0.25 20.10  ? 133 GLN   B CB  1 
ATOM   1100 C CG  A GLN   A 1 127 ? -23.012 -2.267  -14.420 0.25 21.78  ? 133 GLN   B CG  1 
ATOM   1101 C CG  B GLN   A 1 127 ? -22.956 -2.303  -14.140 0.25 22.62  ? 133 GLN   B CG  1 
ATOM   1102 C CD  A GLN   A 1 127 ? -22.885 -1.483  -13.140 0.25 23.66  ? 133 GLN   B CD  1 
ATOM   1103 C CD  B GLN   A 1 127 ? -21.685 -1.500  -14.259 0.25 23.39  ? 133 GLN   B CD  1 
ATOM   1104 O OE1 A GLN   A 1 127 ? -22.101 -1.836  -12.265 0.25 23.97  ? 133 GLN   B OE1 1 
ATOM   1105 O OE1 B GLN   A 1 127 ? -20.595 -2.032  -14.461 0.25 27.83  ? 133 GLN   B OE1 1 
ATOM   1106 N NE2 A GLN   A 1 127 ? -23.673 -0.424  -13.017 0.25 23.93  ? 133 GLN   B NE2 1 
ATOM   1107 N NE2 B GLN   A 1 127 ? -21.830 -0.195  -14.149 0.25 26.24  ? 133 GLN   B NE2 1 
ATOM   1108 N N   . ILE   A 1 128 ? -23.798 -6.720  -14.897 1.00 15.92  ? 134 ILE   B N   1 
ATOM   1109 C CA  . ILE   A 1 128 ? -23.626 -8.188  -15.030 1.00 15.31  ? 134 ILE   B CA  1 
ATOM   1110 C C   . ILE   A 1 128 ? -22.426 -8.375  -15.961 1.00 15.86  ? 134 ILE   B C   1 
ATOM   1111 O O   . ILE   A 1 128 ? -22.374 -7.783  -17.062 1.00 15.11  ? 134 ILE   B O   1 
ATOM   1112 C CB  . ILE   A 1 128 ? -24.891 -8.828  -15.613 1.00 16.04  ? 134 ILE   B CB  1 
ATOM   1113 C CG1 . ILE   A 1 128 ? -26.179 -8.662  -14.789 1.00 20.16  ? 134 ILE   B CG1 1 
ATOM   1114 C CG2 . ILE   A 1 128 ? -24.605 -10.293 -15.921 1.00 16.85  ? 134 ILE   B CG2 1 
ATOM   1115 C CD1 . ILE   A 1 128 ? -26.233 -9.425  -13.569 1.00 20.42  ? 134 ILE   B CD1 1 
ATOM   1116 N N   . GLY   A 1 129 ? -21.485 -9.233  -15.576 1.00 15.86  ? 135 GLY   B N   1 
ATOM   1117 C CA  . GLY   A 1 129 ? -20.400 -9.675  -16.459 1.00 15.63  ? 135 GLY   B CA  1 
ATOM   1118 C C   . GLY   A 1 129 ? -20.707 -11.057 -17.031 1.00 15.20  ? 135 GLY   B C   1 
ATOM   1119 O O   . GLY   A 1 129 ? -21.266 -11.928 -16.345 1.00 15.20  ? 135 GLY   B O   1 
ATOM   1120 N N   . ILE   A 1 130 ? -20.485 -11.195 -18.352 1.00 14.77  ? 136 ILE   B N   1 
ATOM   1121 C CA  . ILE   A 1 130 ? -20.716 -12.461 -19.097 1.00 14.46  ? 136 ILE   B CA  1 
ATOM   1122 C C   . ILE   A 1 130 ? -19.391 -12.940 -19.681 1.00 14.88  ? 136 ILE   B C   1 
ATOM   1123 O O   . ILE   A 1 130 ? -18.727 -12.185 -20.361 1.00 15.82  ? 136 ILE   B O   1 
ATOM   1124 C CB  . ILE   A 1 130 ? -21.784 -12.252 -20.188 1.00 16.52  ? 136 ILE   B CB  1 
ATOM   1125 C CG1 . ILE   A 1 130 ? -23.074 -11.739 -19.555 1.00 18.98  ? 136 ILE   B CG1 1 
ATOM   1126 C CG2 . ILE   A 1 130 ? -22.021 -13.503 -21.030 1.00 16.97  ? 136 ILE   B CG2 1 
ATOM   1127 C CD1 . ILE   A 1 130 ? -24.100 -11.266 -20.491 1.00 21.73  ? 136 ILE   B CD1 1 
ATOM   1128 N N   . PHE   A 1 131 ? -19.032 -14.152 -19.318 1.00 14.74  ? 137 PHE   B N   1 
ATOM   1129 C CA  . PHE   A 1 131 ? -17.793 -14.822 -19.773 1.00 14.52  ? 137 PHE   B CA  1 
ATOM   1130 C C   . PHE   A 1 131 ? -18.155 -16.075 -20.560 1.00 13.97  ? 137 PHE   B C   1 
ATOM   1131 O O   . PHE   A 1 131 ? -18.930 -16.923 -20.097 1.00 14.88  ? 137 PHE   B O   1 
ATOM   1132 C CB  . PHE   A 1 131 ? -16.910 -15.218 -18.589 1.00 16.01  ? 137 PHE   B CB  1 
ATOM   1133 C CG  . PHE   A 1 131 ? -15.657 -15.987 -18.968 1.00 16.52  ? 137 PHE   B CG  1 
ATOM   1134 C CD1 . PHE   A 1 131 ? -14.627 -15.357 -19.643 1.00 18.90  ? 137 PHE   B CD1 1 
ATOM   1135 C CD2 . PHE   A 1 131 ? -15.489 -17.317 -18.600 1.00 17.93  ? 137 PHE   B CD2 1 
ATOM   1136 C CE1 . PHE   A 1 131 ? -13.458 -16.056 -19.949 1.00 20.09  ? 137 PHE   B CE1 1 
ATOM   1137 C CE2 . PHE   A 1 131 ? -14.349 -18.027 -18.956 1.00 19.25  ? 137 PHE   B CE2 1 
ATOM   1138 C CZ  . PHE   A 1 131 ? -13.329 -17.378 -19.606 1.00 18.81  ? 137 PHE   B CZ  1 
ATOM   1139 N N   . VAL   A 1 132 ? -17.586 -16.189 -21.765 1.00 14.46  ? 138 VAL   B N   1 
ATOM   1140 C CA  . VAL   A 1 132 ? -17.733 -17.388 -22.634 1.00 14.40  ? 138 VAL   B CA  1 
ATOM   1141 C C   . VAL   A 1 132 ? -16.358 -17.979 -22.946 1.00 13.13  ? 138 VAL   B C   1 
ATOM   1142 O O   . VAL   A 1 132 ? -15.472 -17.263 -23.382 1.00 15.27  ? 138 VAL   B O   1 
ATOM   1143 C CB  . VAL   A 1 132 ? -18.483 -17.070 -23.944 1.00 14.03  ? 138 VAL   B CB  1 
ATOM   1144 C CG1 . VAL   A 1 132 ? -18.612 -18.333 -24.803 1.00 15.93  ? 138 VAL   B CG1 1 
ATOM   1145 C CG2 . VAL   A 1 132 ? -19.864 -16.465 -23.656 1.00 15.37  ? 138 VAL   B CG2 1 
ATOM   1146 N N   . ASP   A 1 133 ? -16.195 -19.260 -22.638 1.00 14.68  ? 139 ASP   B N   1 
ATOM   1147 C CA  . ASP   A 1 133 ? -15.012 -20.059 -23.098 1.00 15.44  ? 139 ASP   B CA  1 
ATOM   1148 C C   . ASP   A 1 133 ? -15.529 -21.082 -24.088 1.00 14.43  ? 139 ASP   B C   1 
ATOM   1149 O O   . ASP   A 1 133 ? -16.162 -22.066 -23.696 1.00 14.74  ? 139 ASP   B O   1 
ATOM   1150 C CB  . ASP   A 1 133 ? -14.266 -20.638 -21.916 1.00 14.84  ? 139 ASP   B CB  1 
ATOM   1151 C CG  . ASP   A 1 133 ? -13.018 -21.395 -22.313 1.00 18.91  ? 139 ASP   B CG  1 
ATOM   1152 O OD1 . ASP   A 1 133 ? -12.935 -21.843 -23.477 1.00 17.93  ? 139 ASP   B OD1 1 
ATOM   1153 O OD2 . ASP   A 1 133 ? -12.173 -21.553 -21.400 1.00 22.12  ? 139 ASP   B OD2 1 
ATOM   1154 N N   . TYR   A 1 134 ? -15.327 -20.802 -25.385 1.00 15.83  ? 140 TYR   B N   1 
ATOM   1155 C CA  . TYR   A 1 134 ? -15.933 -21.639 -26.445 1.00 14.75  ? 140 TYR   B CA  1 
ATOM   1156 C C   . TYR   A 1 134 ? -15.412 -23.092 -26.375 1.00 16.08  ? 140 TYR   B C   1 
ATOM   1157 O O   . TYR   A 1 134 ? -16.168 -24.045 -26.276 1.00 16.93  ? 140 TYR   B O   1 
ATOM   1158 C CB  . TYR   A 1 134 ? -15.687 -21.028 -27.832 1.00 15.66  ? 140 TYR   B CB  1 
ATOM   1159 C CG  . TYR   A 1 134 ? -16.629 -21.619 -28.843 1.00 15.97  ? 140 TYR   B CG  1 
ATOM   1160 C CD1 . TYR   A 1 134 ? -16.468 -22.909 -29.330 1.00 15.67  ? 140 TYR   B CD1 1 
ATOM   1161 C CD2 . TYR   A 1 134 ? -17.771 -20.940 -29.258 1.00 16.15  ? 140 TYR   B CD2 1 
ATOM   1162 C CE1 . TYR   A 1 134 ? -17.387 -23.510 -30.164 1.00 15.99  ? 140 TYR   B CE1 1 
ATOM   1163 C CE2 . TYR   A 1 134 ? -18.693 -21.531 -30.103 1.00 14.76  ? 140 TYR   B CE2 1 
ATOM   1164 C CZ  . TYR   A 1 134 ? -18.482 -22.801 -30.617 1.00 15.17  ? 140 TYR   B CZ  1 
ATOM   1165 O OH  . TYR   A 1 134 ? -19.395 -23.428 -31.413 1.00 15.60  ? 140 TYR   B OH  1 
ATOM   1166 N N   . GLU   A 1 135 ? -14.097 -23.226 -26.310 1.00 17.87  ? 141 GLU   B N   1 
ATOM   1167 C CA  . GLU   A 1 135 ? -13.474 -24.574 -26.298 1.00 17.20  ? 141 GLU   B CA  1 
ATOM   1168 C C   . GLU   A 1 135 ? -13.883 -25.356 -25.060 1.00 17.90  ? 141 GLU   B C   1 
ATOM   1169 O O   . GLU   A 1 135 ? -14.227 -26.568 -25.211 1.00 20.14  ? 141 GLU   B O   1 
ATOM   1170 C CB  . GLU   A 1 135 ? -11.964 -24.459 -26.472 1.00 18.53  ? 141 GLU   B CB  1 
ATOM   1171 C CG  . GLU   A 1 135 ? -11.570 -24.311 -27.957 1.00 23.22  ? 141 GLU   B CG  1 
ATOM   1172 C CD  . GLU   A 1 135 ? -11.818 -22.932 -28.482 1.00 23.94  ? 141 GLU   B CD  1 
ATOM   1173 O OE1 . GLU   A 1 135 ? -11.955 -22.796 -29.667 1.00 24.28  ? 141 GLU   B OE1 1 
ATOM   1174 O OE2 . GLU   A 1 135 ? -11.866 -21.982 -27.663 1.00 25.34  ? 141 GLU   B OE2 1 
ATOM   1175 N N   . ALA   A 1 136 ? -13.918 -24.716 -23.894 1.00 17.40  ? 142 ALA   B N   1 
ATOM   1176 C CA  . ALA   A 1 136 ? -14.287 -25.397 -22.639 1.00 17.76  ? 142 ALA   B CA  1 
ATOM   1177 C C   . ALA   A 1 136 ? -15.783 -25.718 -22.553 1.00 18.41  ? 142 ALA   B C   1 
ATOM   1178 O O   . ALA   A 1 136 ? -16.183 -26.568 -21.737 1.00 19.46  ? 142 ALA   B O   1 
ATOM   1179 C CB  . ALA   A 1 136 ? -13.849 -24.550 -21.481 1.00 18.36  ? 142 ALA   B CB  1 
ATOM   1180 N N   . GLY   A 1 137 ? -16.643 -25.066 -23.347 1.00 14.50  ? 143 GLY   B N   1 
ATOM   1181 C CA  . GLY   A 1 137 ? -18.083 -25.230 -23.229 1.00 14.38  ? 143 GLY   B CA  1 
ATOM   1182 C C   . GLY   A 1 137 ? -18.620 -24.585 -21.942 1.00 13.77  ? 143 GLY   B C   1 
ATOM   1183 O O   . GLY   A 1 137 ? -19.432 -25.265 -21.262 1.00 14.90  ? 143 GLY   B O   1 
ATOM   1184 N N   . VAL   A 1 138 ? -18.233 -23.361 -21.668 1.00 14.11  ? 144 VAL   B N   1 
ATOM   1185 C CA  . VAL   A 1 138 ? -18.604 -22.647 -20.393 1.00 13.17  ? 144 VAL   B CA  1 
ATOM   1186 C C   . VAL   A 1 138 ? -19.216 -21.296 -20.751 1.00 13.26  ? 144 VAL   B C   1 
ATOM   1187 O O   . VAL   A 1 138 ? -18.619 -20.506 -21.550 1.00 15.06  ? 144 VAL   B O   1 
ATOM   1188 C CB  . VAL   A 1 138 ? -17.352 -22.455 -19.524 1.00 14.64  ? 144 VAL   B CB  1 
ATOM   1189 C CG1 . VAL   A 1 138 ? -17.574 -21.496 -18.350 1.00 15.44  ? 144 VAL   B CG1 1 
ATOM   1190 C CG2 . VAL   A 1 138 ? -16.841 -23.804 -19.038 1.00 16.91  ? 144 VAL   B CG2 1 
ATOM   1191 N N   . VAL   A 1 139 ? -20.294 -20.969 -20.043 1.00 13.10  ? 145 VAL   B N   1 
ATOM   1192 C CA  . VAL   A 1 139 ? -20.850 -19.588 -19.976 1.00 12.04  ? 145 VAL   B CA  1 
ATOM   1193 C C   . VAL   A 1 139 ? -21.046 -19.235 -18.488 1.00 12.44  ? 145 VAL   B C   1 
ATOM   1194 O O   . VAL   A 1 139 ? -21.819 -19.958 -17.808 1.00 14.04  ? 145 VAL   B O   1 
ATOM   1195 C CB  . VAL   A 1 139 ? -22.180 -19.471 -20.736 1.00 13.19  ? 145 VAL   B CB  1 
ATOM   1196 C CG1 . VAL   A 1 139 ? -22.665 -18.025 -20.745 1.00 13.42  ? 145 VAL   B CG1 1 
ATOM   1197 C CG2 . VAL   A 1 139 ? -22.041 -19.993 -22.142 1.00 13.85  ? 145 VAL   B CG2 1 
ATOM   1198 N N   . SER   A 1 140 ? -20.381 -18.201 -18.026 1.00 13.37  ? 146 SER   B N   1 
ATOM   1199 C CA  . SER   A 1 140 ? -20.478 -17.772 -16.610 1.00 13.80  ? 146 SER   B CA  1 
ATOM   1200 C C   . SER   A 1 140 ? -20.968 -16.326 -16.515 1.00 13.37  ? 146 SER   B C   1 
ATOM   1201 O O   . SER   A 1 140 ? -20.671 -15.488 -17.371 1.00 14.47  ? 146 SER   B O   1 
ATOM   1202 C CB  . SER   A 1 140 ? -19.170 -17.920 -15.919 1.00 13.94  ? 146 SER   B CB  1 
ATOM   1203 O OG  . SER   A 1 140 ? -18.784 -19.307 -15.839 1.00 14.46  ? 146 SER   B OG  1 
ATOM   1204 N N   . PHE   A 1 141 ? -21.661 -16.052 -15.418 1.00 12.56  ? 147 PHE   B N   1 
ATOM   1205 C CA  . PHE   A 1 141 ? -22.289 -14.750 -15.114 1.00 12.66  ? 147 PHE   B CA  1 
ATOM   1206 C C   . PHE   A 1 141 ? -21.714 -14.282 -13.777 1.00 12.63  ? 147 PHE   B C   1 
ATOM   1207 O O   . PHE   A 1 141 ? -21.742 -15.084 -12.799 1.00 13.41  ? 147 PHE   B O   1 
ATOM   1208 C CB  . PHE   A 1 141 ? -23.825 -14.860 -15.099 1.00 12.09  ? 147 PHE   B CB  1 
ATOM   1209 C CG  . PHE   A 1 141 ? -24.399 -15.257 -16.428 1.00 12.61  ? 147 PHE   B CG  1 
ATOM   1210 C CD1 . PHE   A 1 141 ? -24.444 -16.603 -16.796 1.00 12.50  ? 147 PHE   B CD1 1 
ATOM   1211 C CD2 . PHE   A 1 141 ? -24.902 -14.302 -17.297 1.00 12.83  ? 147 PHE   B CD2 1 
ATOM   1212 C CE1 . PHE   A 1 141 ? -24.950 -16.970 -18.052 1.00 12.37  ? 147 PHE   B CE1 1 
ATOM   1213 C CE2 . PHE   A 1 141 ? -25.416 -14.671 -18.539 1.00 12.17  ? 147 PHE   B CE2 1 
ATOM   1214 C CZ  . PHE   A 1 141 ? -25.465 -16.009 -18.897 1.00 11.74  ? 147 PHE   B CZ  1 
ATOM   1215 N N   . TYR   A 1 142 ? -21.406 -12.995 -13.708 1.00 13.45  ? 148 TYR   B N   1 
ATOM   1216 C CA  . TYR   A 1 142 ? -20.713 -12.368 -12.538 1.00 15.05  ? 148 TYR   B CA  1 
ATOM   1217 C C   . TYR   A 1 142 ? -21.473 -11.110 -12.123 1.00 17.29  ? 148 TYR   B C   1 
ATOM   1218 O O   . TYR   A 1 142 ? -21.984 -10.360 -12.934 1.00 16.41  ? 148 TYR   B O   1 
ATOM   1219 C CB  . TYR   A 1 142 ? -19.247 -12.071 -12.826 1.00 15.00  ? 148 TYR   B CB  1 
ATOM   1220 C CG  . TYR   A 1 142 ? -18.449 -13.315 -13.106 1.00 15.91  ? 148 TYR   B CG  1 
ATOM   1221 C CD1 . TYR   A 1 142 ? -17.954 -14.079 -12.073 1.00 17.06  ? 148 TYR   B CD1 1 
ATOM   1222 C CD2 . TYR   A 1 142 ? -18.265 -13.784 -14.385 1.00 16.90  ? 148 TYR   B CD2 1 
ATOM   1223 C CE1 . TYR   A 1 142 ? -17.291 -15.276 -12.316 1.00 17.76  ? 148 TYR   B CE1 1 
ATOM   1224 C CE2 . TYR   A 1 142 ? -17.586 -14.958 -14.652 1.00 17.20  ? 148 TYR   B CE2 1 
ATOM   1225 C CZ  . TYR   A 1 142 ? -17.054 -15.695 -13.619 1.00 17.58  ? 148 TYR   B CZ  1 
ATOM   1226 O OH  . TYR   A 1 142 ? -16.413 -16.899 -13.861 1.00 20.11  ? 148 TYR   B OH  1 
ATOM   1227 N N   . ASN   A 1 143 ? -21.547 -10.877 -10.813 1.00 16.85  ? 149 ASN   B N   1 
ATOM   1228 C CA  . ASN   A 1 143 ? -22.232 -9.694  -10.212 1.00 16.36  ? 149 ASN   B CA  1 
ATOM   1229 C C   . ASN   A 1 143 ? -21.208 -8.579  -10.017 1.00 17.49  ? 149 ASN   B C   1 
ATOM   1230 O O   . ASN   A 1 143 ? -20.428 -8.603  -9.048  1.00 18.13  ? 149 ASN   B O   1 
ATOM   1231 C CB  . ASN   A 1 143 ? -22.885 -10.125 -8.903  1.00 16.89  ? 149 ASN   B CB  1 
ATOM   1232 C CG  . ASN   A 1 143 ? -23.695 -9.027  -8.243  1.00 16.48  ? 149 ASN   B CG  1 
ATOM   1233 O OD1 . ASN   A 1 143 ? -23.509 -7.854  -8.591  1.00 18.14  ? 149 ASN   B OD1 1 
ATOM   1234 N ND2 . ASN   A 1 143 ? -24.603 -9.438  -7.382  1.00 17.11  ? 149 ASN   B ND2 1 
ATOM   1235 N N   . ILE   A 1 144 ? -21.147 -7.605  -10.911 1.00 17.34  ? 150 ILE   B N   1 
ATOM   1236 C CA  . ILE   A 1 144 ? -20.064 -6.587  -10.882 1.00 18.63  ? 150 ILE   B CA  1 
ATOM   1237 C C   . ILE   A 1 144 ? -20.320 -5.695  -9.649  1.00 20.37  ? 150 ILE   B C   1 
ATOM   1238 O O   . ILE   A 1 144 ? -19.326 -5.210  -9.069  1.00 21.79  ? 150 ILE   B O   1 
ATOM   1239 C CB  . ILE   A 1 144 ? -20.044 -5.794  -12.191 1.00 20.60  ? 150 ILE   B CB  1 
ATOM   1240 C CG1 . ILE   A 1 144 ? -19.901 -6.719  -13.407 1.00 20.24  ? 150 ILE   B CG1 1 
ATOM   1241 C CG2 . ILE   A 1 144 ? -18.971 -4.713  -12.184 1.00 22.81  ? 150 ILE   B CG2 1 
ATOM   1242 C CD1 . ILE   A 1 144 ? -18.829 -7.752  -13.272 1.00 23.78  ? 150 ILE   B CD1 1 
ATOM   1243 N N   . THR   A 1 145 ? -21.567 -5.486  -9.280  1.00 20.16  ? 151 THR   B N   1 
ATOM   1244 C CA  . THR   A 1 145 ? -21.958 -4.637  -8.103  1.00 19.99  ? 151 THR   B CA  1 
ATOM   1245 C C   . THR   A 1 145 ? -21.397 -5.249  -6.822  1.00 23.32  ? 151 THR   B C   1 
ATOM   1246 O O   . THR   A 1 145 ? -20.932 -4.474  -5.931  1.00 26.44  ? 151 THR   B O   1 
ATOM   1247 C CB  . THR   A 1 145 ? -23.487 -4.488  -8.024  1.00 19.36  ? 151 THR   B CB  1 
ATOM   1248 O OG1 . THR   A 1 145 ? -23.900 -4.014  -9.298  1.00 20.28  ? 151 THR   B OG1 1 
ATOM   1249 C CG2 . THR   A 1 145 ? -23.895 -3.504  -6.949  1.00 20.28  ? 151 THR   B CG2 1 
ATOM   1250 N N   . ASP   A 1 146 ? -21.354 -6.576  -6.734  1.00 22.84  ? 152 ASP   B N   1 
ATOM   1251 C CA  . ASP   A 1 146 ? -20.830 -7.343  -5.575  1.00 23.28  ? 152 ASP   B CA  1 
ATOM   1252 C C   . ASP   A 1 146 ? -19.408 -7.868  -5.838  1.00 22.75  ? 152 ASP   B C   1 
ATOM   1253 O O   . ASP   A 1 146 ? -19.184 -9.056  -5.616  1.00 23.49  ? 152 ASP   B O   1 
ATOM   1254 C CB  . ASP   A 1 146 ? -21.851 -8.389  -5.197  1.00 21.19  ? 152 ASP   B CB  1 
ATOM   1255 C CG  . ASP   A 1 146 ? -21.497 -9.156  -3.942  1.00 26.92  ? 152 ASP   B CG  1 
ATOM   1256 O OD1 . ASP   A 1 146 ? -21.073 -8.488  -2.976  1.00 26.46  ? 152 ASP   B OD1 1 
ATOM   1257 O OD2 . ASP   A 1 146 ? -21.639 -10.399 -3.963  1.00 25.36  ? 152 ASP   B OD2 1 
ATOM   1258 N N   . HIS   A 1 147 ? -18.497 -7.010  -6.289  1.00 24.03  ? 153 HIS   B N   1 
ATOM   1259 C CA  . HIS   A 1 147 ? -17.044 -7.313  -6.371  1.00 28.89  ? 153 HIS   B CA  1 
ATOM   1260 C C   . HIS   A 1 147 ? -16.829 -8.509  -7.311  1.00 27.47  ? 153 HIS   B C   1 
ATOM   1261 O O   . HIS   A 1 147 ? -15.814 -9.202  -7.190  1.00 28.77  ? 153 HIS   B O   1 
ATOM   1262 C CB  . HIS   A 1 147 ? -16.466 -7.648  -4.988  1.00 32.30  ? 153 HIS   B CB  1 
ATOM   1263 C CG  . HIS   A 1 147 ? -16.743 -6.663  -3.900  1.00 44.09  ? 153 HIS   B CG  1 
ATOM   1264 N ND1 . HIS   A 1 147 ? -16.253 -5.365  -3.934  1.00 53.20  ? 153 HIS   B ND1 1 
ATOM   1265 C CD2 . HIS   A 1 147 ? -17.399 -6.799  -2.724  1.00 50.82  ? 153 HIS   B CD2 1 
ATOM   1266 C CE1 . HIS   A 1 147 ? -16.625 -4.730  -2.837  1.00 56.97  ? 153 HIS   B CE1 1 
ATOM   1267 N NE2 . HIS   A 1 147 ? -17.330 -5.594  -2.073  1.00 54.72  ? 153 HIS   B NE2 1 
ATOM   1268 N N   . GLY   A 1 148 ? -17.746 -8.742  -8.259  1.00 22.39  ? 154 GLY   B N   1 
ATOM   1269 C CA  . GLY   A 1 148 ? -17.511 -9.772  -9.288  1.00 20.09  ? 154 GLY   B CA  1 
ATOM   1270 C C   . GLY   A 1 148 ? -17.922 -11.166 -8.850  1.00 18.33  ? 154 GLY   B C   1 
ATOM   1271 O O   . GLY   A 1 148 ? -17.344 -12.116 -9.389  1.00 19.15  ? 154 GLY   B O   1 
ATOM   1272 N N   . SER   A 1 149 ? -18.741 -11.321 -7.818  1.00 17.85  ? 155 SER   B N   1 
ATOM   1273 C CA  . SER   A 1 149 ? -19.126 -12.636 -7.259  1.00 16.52  ? 155 SER   B CA  1 
ATOM   1274 C C   . SER   A 1 149 ? -19.799 -13.495 -8.339  1.00 17.48  ? 155 SER   B C   1 
ATOM   1275 O O   . SER   A 1 149 ? -20.558 -12.951 -9.172  1.00 17.79  ? 155 SER   B O   1 
ATOM   1276 C CB  . SER   A 1 149 ? -20.009 -12.536 -6.032  1.00 18.60  ? 155 SER   B CB  1 
ATOM   1277 O OG  . SER   A 1 149 ? -21.154 -11.714 -6.239  1.00 19.55  ? 155 SER   B OG  1 
ATOM   1278 N N   . LEU   A 1 150 ? -19.562 -14.787 -8.337  1.00 17.59  ? 156 LEU   B N   1 
ATOM   1279 C CA  . LEU   A 1 150 ? -20.228 -15.677 -9.325  1.00 14.45  ? 156 LEU   B CA  1 
ATOM   1280 C C   . LEU   A 1 150 ? -21.727 -15.725 -9.092  1.00 15.42  ? 156 LEU   B C   1 
ATOM   1281 O O   . LEU   A 1 150 ? -22.213 -15.946 -7.945  1.00 16.10  ? 156 LEU   B O   1 
ATOM   1282 C CB  . LEU   A 1 150 ? -19.639 -17.088 -9.209  1.00 15.08  ? 156 LEU   B CB  1 
ATOM   1283 C CG  . LEU   A 1 150 ? -20.196 -18.142 -10.171 1.00 15.21  ? 156 LEU   B CG  1 
ATOM   1284 C CD1 . LEU   A 1 150 ? -19.814 -17.858 -11.601 1.00 15.70  ? 156 LEU   B CD1 1 
ATOM   1285 C CD2 . LEU   A 1 150 ? -19.640 -19.530 -9.768  1.00 16.77  ? 156 LEU   B CD2 1 
ATOM   1286 N N   . ILE   A 1 151 ? -22.502 -15.610 -10.179 1.00 13.34  ? 157 ILE   B N   1 
ATOM   1287 C CA  . ILE   A 1 151 ? -23.945 -15.829 -10.203 1.00 14.05  ? 157 ILE   B CA  1 
ATOM   1288 C C   . ILE   A 1 151 ? -24.286 -17.246 -10.642 1.00 13.29  ? 157 ILE   B C   1 
ATOM   1289 O O   . ILE   A 1 151 ? -25.130 -17.913 -10.041 1.00 14.36  ? 157 ILE   B O   1 
ATOM   1290 C CB  . ILE   A 1 151 ? -24.614 -14.744 -11.089 1.00 14.50  ? 157 ILE   B CB  1 
ATOM   1291 C CG1 . ILE   A 1 151 ? -24.443 -13.343 -10.514 1.00 15.17  ? 157 ILE   B CG1 1 
ATOM   1292 C CG2 . ILE   A 1 151 ? -26.087 -15.074 -11.264 1.00 14.04  ? 157 ILE   B CG2 1 
ATOM   1293 C CD1 . ILE   A 1 151 ? -24.860 -12.217 -11.469 1.00 16.00  ? 157 ILE   B CD1 1 
ATOM   1294 N N   . TYR   A 1 152 ? -23.719 -17.641 -11.790 1.00 13.65  ? 158 TYR   B N   1 
ATOM   1295 C CA  . TYR   A 1 152 ? -24.118 -18.932 -12.387 1.00 12.63  ? 158 TYR   B CA  1 
ATOM   1296 C C   . TYR   A 1 152 ? -23.090 -19.337 -13.446 1.00 12.65  ? 158 TYR   B C   1 
ATOM   1297 O O   . TYR   A 1 152 ? -22.608 -18.462 -14.191 1.00 12.98  ? 158 TYR   B O   1 
ATOM   1298 C CB  . TYR   A 1 152 ? -25.499 -18.881 -13.094 1.00 12.83  ? 158 TYR   B CB  1 
ATOM   1299 C CG  . TYR   A 1 152 ? -26.022 -20.238 -13.429 1.00 12.94  ? 158 TYR   B CG  1 
ATOM   1300 C CD1 . TYR   A 1 152 ? -26.645 -21.036 -12.470 1.00 13.50  ? 158 TYR   B CD1 1 
ATOM   1301 C CD2 . TYR   A 1 152 ? -25.908 -20.768 -14.717 1.00 12.59  ? 158 TYR   B CD2 1 
ATOM   1302 C CE1 . TYR   A 1 152 ? -27.102 -22.309 -12.755 1.00 14.26  ? 158 TYR   B CE1 1 
ATOM   1303 C CE2 . TYR   A 1 152 ? -26.369 -22.040 -15.004 1.00 13.35  ? 158 TYR   B CE2 1 
ATOM   1304 C CZ  . TYR   A 1 152 ? -26.963 -22.826 -14.034 1.00 14.03  ? 158 TYR   B CZ  1 
ATOM   1305 O OH  . TYR   A 1 152 ? -27.370 -24.103 -14.311 1.00 16.68  ? 158 TYR   B OH  1 
ATOM   1306 N N   . THR   A 1 153 ? -22.794 -20.639 -13.507 1.00 13.16  ? 159 THR   B N   1 
ATOM   1307 C CA  . THR   A 1 153 ? -21.963 -21.262 -14.583 1.00 13.84  ? 159 THR   B CA  1 
ATOM   1308 C C   . THR   A 1 153 ? -22.741 -22.367 -15.268 1.00 13.52  ? 159 THR   B C   1 
ATOM   1309 O O   . THR   A 1 153 ? -23.133 -23.360 -14.641 1.00 14.94  ? 159 THR   B O   1 
ATOM   1310 C CB  . THR   A 1 153 ? -20.624 -21.788 -14.028 1.00 14.88  ? 159 THR   B CB  1 
ATOM   1311 O OG1 . THR   A 1 153 ? -19.825 -20.687 -13.643 1.00 13.85  ? 159 THR   B OG1 1 
ATOM   1312 C CG2 . THR   A 1 153 ? -19.850 -22.580 -15.062 1.00 15.94  ? 159 THR   B CG2 1 
ATOM   1313 N N   . PHE   A 1 154 ? -22.958 -22.200 -16.585 1.00 13.55  ? 160 PHE   B N   1 
ATOM   1314 C CA  . PHE   A 1 154 ? -23.349 -23.304 -17.492 1.00 14.08  ? 160 PHE   B CA  1 
ATOM   1315 C C   . PHE   A 1 154 ? -22.065 -24.013 -17.946 1.00 13.46  ? 160 PHE   B C   1 
ATOM   1316 O O   . PHE   A 1 154 ? -21.175 -23.367 -18.492 1.00 13.18  ? 160 PHE   B O   1 
ATOM   1317 C CB  . PHE   A 1 154 ? -24.037 -22.819 -18.769 1.00 13.76  ? 160 PHE   B CB  1 
ATOM   1318 C CG  . PHE   A 1 154 ? -25.411 -22.207 -18.595 1.00 12.21  ? 160 PHE   B CG  1 
ATOM   1319 C CD1 . PHE   A 1 154 ? -25.565 -20.848 -18.345 1.00 12.61  ? 160 PHE   B CD1 1 
ATOM   1320 C CD2 . PHE   A 1 154 ? -26.561 -22.966 -18.800 1.00 13.86  ? 160 PHE   B CD2 1 
ATOM   1321 C CE1 . PHE   A 1 154 ? -26.833 -20.312 -18.261 1.00 12.54  ? 160 PHE   B CE1 1 
ATOM   1322 C CE2 . PHE   A 1 154 ? -27.837 -22.405 -18.719 1.00 13.62  ? 160 PHE   B CE2 1 
ATOM   1323 C CZ  . PHE   A 1 154 ? -27.955 -21.061 -18.428 1.00 11.83  ? 160 PHE   B CZ  1 
ATOM   1324 N N   . SER   A 1 155 ? -21.951 -25.295 -17.620 1.00 14.76  ? 161 SER   B N   1 
ATOM   1325 C CA  . SER   A 1 155 ? -20.793 -26.090 -18.073 1.00 17.01  ? 161 SER   B CA  1 
ATOM   1326 C C   . SER   A 1 155 ? -21.300 -27.240 -18.943 1.00 16.55  ? 161 SER   B C   1 
ATOM   1327 O O   . SER   A 1 155 ? -22.482 -27.524 -19.003 1.00 17.69  ? 161 SER   B O   1 
ATOM   1328 C CB  . SER   A 1 155 ? -19.967 -26.513 -16.883 1.00 19.42  ? 161 SER   B CB  1 
ATOM   1329 O OG  . SER   A 1 155 ? -20.617 -27.491 -16.151 1.00 22.00  ? 161 SER   B OG  1 
ATOM   1330 N N   . GLU   A 1 156 ? -20.363 -27.887 -19.644 1.00 18.81  ? 162 GLU   B N   1 
ATOM   1331 C CA  . GLU   A 1 156 ? -20.702 -28.977 -20.605 1.00 20.24  ? 162 GLU   B CA  1 
ATOM   1332 C C   . GLU   A 1 156 ? -21.646 -28.447 -21.690 1.00 19.26  ? 162 GLU   B C   1 
ATOM   1333 O O   . GLU   A 1 156 ? -22.597 -29.177 -22.088 1.00 20.92  ? 162 GLU   B O   1 
ATOM   1334 C CB  . GLU   A 1 156 ? -21.362 -30.166 -19.907 1.00 24.28  ? 162 GLU   B CB  1 
ATOM   1335 C CG  . GLU   A 1 156 ? -20.660 -30.609 -18.652 1.00 28.61  ? 162 GLU   B CG  1 
ATOM   1336 C CD  . GLU   A 1 156 ? -21.210 -31.941 -18.180 1.00 40.15  ? 162 GLU   B CD  1 
ATOM   1337 O OE1 . GLU   A 1 156 ? -22.356 -31.967 -17.687 1.00 45.48  ? 162 GLU   B OE1 1 
ATOM   1338 O OE2 . GLU   A 1 156 ? -20.516 -32.955 -18.373 1.00 49.83  ? 162 GLU   B OE2 1 
ATOM   1339 N N   . CYS   A 1 157 ? -21.472 -27.182 -22.089 1.00 18.22  ? 163 CYS   B N   1 
ATOM   1340 C CA  . CYS   A 1 157 ? -22.390 -26.563 -23.072 1.00 16.03  ? 163 CYS   B CA  1 
ATOM   1341 C C   . CYS   A 1 157 ? -22.147 -27.220 -24.433 1.00 18.01  ? 163 CYS   B C   1 
ATOM   1342 O O   . CYS   A 1 157 ? -20.957 -27.428 -24.788 1.00 19.31  ? 163 CYS   B O   1 
ATOM   1343 C CB  . CYS   A 1 157 ? -22.201 -25.061 -23.234 1.00 14.70  ? 163 CYS   B CB  1 
ATOM   1344 S SG  . CYS   A 1 157 ? -22.598 -24.135 -21.717 1.00 15.83  ? 163 CYS   B SG  1 
ATOM   1345 N N   . VAL   A 1 158 ? -23.214 -27.443 -25.183 1.00 16.47  ? 164 VAL   B N   1 
ATOM   1346 C CA  . VAL   A 1 158 ? -23.085 -27.973 -26.569 1.00 17.77  ? 164 VAL   B CA  1 
ATOM   1347 C C   . VAL   A 1 158 ? -23.517 -26.838 -27.492 1.00 14.86  ? 164 VAL   B C   1 
ATOM   1348 O O   . VAL   A 1 158 ? -24.687 -26.743 -27.883 1.00 19.47  ? 164 VAL   B O   1 
ATOM   1349 C CB  . VAL   A 1 158 ? -23.861 -29.301 -26.708 1.00 20.99  ? 164 VAL   B CB  1 
ATOM   1350 C CG1 . VAL   A 1 158 ? -23.761 -29.811 -28.153 1.00 21.57  ? 164 VAL   B CG1 1 
ATOM   1351 C CG2 . VAL   A 1 158 ? -23.336 -30.339 -25.737 1.00 23.04  ? 164 VAL   B CG2 1 
ATOM   1352 N N   . PHE   A 1 159 ? -22.611 -25.916 -27.809 1.00 15.00  ? 165 PHE   B N   1 
ATOM   1353 C CA  . PHE   A 1 159 ? -22.945 -24.689 -28.560 1.00 15.19  ? 165 PHE   B CA  1 
ATOM   1354 C C   . PHE   A 1 159 ? -23.484 -25.050 -29.946 1.00 18.41  ? 165 PHE   B C   1 
ATOM   1355 O O   . PHE   A 1 159 ? -24.491 -24.455 -30.365 1.00 17.62  ? 165 PHE   B O   1 
ATOM   1356 C CB  . PHE   A 1 159 ? -21.775 -23.721 -28.582 1.00 15.73  ? 165 PHE   B CB  1 
ATOM   1357 C CG  . PHE   A 1 159 ? -21.330 -23.229 -27.219 1.00 14.00  ? 165 PHE   B CG  1 
ATOM   1358 C CD1 . PHE   A 1 159 ? -22.260 -22.733 -26.310 1.00 14.45  ? 165 PHE   B CD1 1 
ATOM   1359 C CD2 . PHE   A 1 159 ? -19.999 -23.237 -26.862 1.00 15.82  ? 165 PHE   B CD2 1 
ATOM   1360 C CE1 . PHE   A 1 159 ? -21.832 -22.286 -25.059 1.00 14.87  ? 165 PHE   B CE1 1 
ATOM   1361 C CE2 . PHE   A 1 159 ? -19.578 -22.741 -25.647 1.00 16.58  ? 165 PHE   B CE2 1 
ATOM   1362 C CZ  . PHE   A 1 159 ? -20.504 -22.258 -24.745 1.00 14.92  ? 165 PHE   B CZ  1 
ATOM   1363 N N   . ALA   A 1 160 ? -22.813 -25.969 -30.637 1.00 16.68  ? 166 ALA   B N   1 
ATOM   1364 C CA  . ALA   A 1 160 ? -23.297 -26.525 -31.918 1.00 17.60  ? 166 ALA   B CA  1 
ATOM   1365 C C   . ALA   A 1 160 ? -23.444 -25.447 -33.006 1.00 16.67  ? 166 ALA   B C   1 
ATOM   1366 O O   . ALA   A 1 160 ? -24.267 -25.663 -33.946 1.00 18.55  ? 166 ALA   B O   1 
ATOM   1367 C CB  . ALA   A 1 160 ? -24.531 -27.322 -31.731 1.00 17.28  ? 166 ALA   B CB  1 
ATOM   1368 N N   . GLY   A 1 161 ? -22.674 -24.396 -32.930 1.00 17.75  ? 167 GLY   B N   1 
ATOM   1369 C CA  . GLY   A 1 161 ? -22.663 -23.312 -33.926 1.00 18.91  ? 167 GLY   B CA  1 
ATOM   1370 C C   . GLY   A 1 161 ? -21.982 -22.065 -33.416 1.00 16.73  ? 167 GLY   B C   1 
ATOM   1371 O O   . GLY   A 1 161 ? -21.571 -21.991 -32.237 1.00 16.20  ? 167 GLY   B O   1 
ATOM   1372 N N   . PRO   A 1 162 ? -21.889 -21.037 -34.247 1.00 15.81  ? 168 PRO   B N   1 
ATOM   1373 C CA  . PRO   A 1 162 ? -21.397 -19.738 -33.815 1.00 15.20  ? 168 PRO   B CA  1 
ATOM   1374 C C   . PRO   A 1 162 ? -22.354 -19.156 -32.758 1.00 15.44  ? 168 PRO   B C   1 
ATOM   1375 O O   . PRO   A 1 162 ? -23.551 -19.406 -32.812 1.00 15.81  ? 168 PRO   B O   1 
ATOM   1376 C CB  . PRO   A 1 162 ? -21.387 -18.856 -35.060 1.00 15.86  ? 168 PRO   B CB  1 
ATOM   1377 C CG  . PRO   A 1 162 ? -21.529 -19.858 -36.203 1.00 15.77  ? 168 PRO   B CG  1 
ATOM   1378 C CD  . PRO   A 1 162 ? -22.308 -21.006 -35.665 1.00 15.70  ? 168 PRO   B CD  1 
ATOM   1379 N N   . LEU   A 1 163 ? -21.770 -18.445 -31.802 1.00 15.62  ? 169 LEU   B N   1 
ATOM   1380 C CA  . LEU   A 1 163 ? -22.546 -17.766 -30.717 1.00 14.15  ? 169 LEU   B CA  1 
ATOM   1381 C C   . LEU   A 1 163 ? -22.679 -16.272 -30.987 1.00 15.42  ? 169 LEU   B C   1 
ATOM   1382 O O   . LEU   A 1 163 ? -21.748 -15.622 -31.461 1.00 15.98  ? 169 LEU   B O   1 
ATOM   1383 C CB  . LEU   A 1 163 ? -21.862 -17.995 -29.372 1.00 14.82  ? 169 LEU   B CB  1 
ATOM   1384 C CG  . LEU   A 1 163 ? -21.882 -19.423 -28.825 1.00 14.70  ? 169 LEU   B CG  1 
ATOM   1385 C CD1 . LEU   A 1 163 ? -21.048 -19.459 -27.568 1.00 16.26  ? 169 LEU   B CD1 1 
ATOM   1386 C CD2 . LEU   A 1 163 ? -23.300 -19.926 -28.582 1.00 15.69  ? 169 LEU   B CD2 1 
ATOM   1387 N N   . ARG   A 1 164 ? -23.816 -15.711 -30.569 1.00 14.28  ? 170 ARG   B N   1 
ATOM   1388 C CA  . ARG   A 1 164 ? -24.037 -14.254 -30.558 1.00 13.51  ? 170 ARG   B CA  1 
ATOM   1389 C C   . ARG   A 1 164 ? -24.428 -13.787 -29.158 1.00 12.69  ? 170 ARG   B C   1 
ATOM   1390 O O   . ARG   A 1 164 ? -25.195 -14.468 -28.474 1.00 12.72  ? 170 ARG   B O   1 
ATOM   1391 C CB  . ARG   A 1 164 ? -25.104 -13.902 -31.591 1.00 14.91  ? 170 ARG   B CB  1 
ATOM   1392 C CG  . ARG   A 1 164 ? -24.629 -14.315 -32.990 1.00 17.74  ? 170 ARG   B CG  1 
ATOM   1393 C CD  . ARG   A 1 164 ? -25.503 -13.903 -34.113 1.00 21.92  ? 170 ARG   B CD  1 
ATOM   1394 N NE  . ARG   A 1 164 ? -25.554 -12.465 -34.208 1.00 20.25  ? 170 ARG   B NE  1 
ATOM   1395 C CZ  . ARG   A 1 164 ? -26.217 -11.839 -35.163 1.00 21.52  ? 170 ARG   B CZ  1 
ATOM   1396 N NH1 . ARG   A 1 164 ? -26.824 -12.544 -36.094 1.00 20.95  ? 170 ARG   B NH1 1 
ATOM   1397 N NH2 . ARG   A 1 164 ? -26.280 -10.527 -35.170 1.00 18.91  ? 170 ARG   B NH2 1 
ATOM   1398 N N   . PRO   A 1 165 ? -23.997 -12.584 -28.767 1.00 13.09  ? 171 PRO   B N   1 
ATOM   1399 C CA  . PRO   A 1 165 ? -24.516 -11.981 -27.525 1.00 12.64  ? 171 PRO   B CA  1 
ATOM   1400 C C   . PRO   A 1 165 ? -26.030 -11.828 -27.665 1.00 13.20  ? 171 PRO   B C   1 
ATOM   1401 O O   . PRO   A 1 165 ? -26.537 -11.486 -28.743 1.00 13.42  ? 171 PRO   B O   1 
ATOM   1402 C CB  . PRO   A 1 165 ? -23.820 -10.630 -27.425 1.00 13.28  ? 171 PRO   B CB  1 
ATOM   1403 C CG  . PRO   A 1 165 ? -22.570 -10.788 -28.318 1.00 15.19  ? 171 PRO   B CG  1 
ATOM   1404 C CD  . PRO   A 1 165 ? -22.999 -11.720 -29.420 1.00 14.82  ? 171 PRO   B CD  1 
ATOM   1405 N N   . PHE   A 1 166 ? -26.762 -12.082 -26.583 1.00 11.91  ? 172 PHE   B N   1 
ATOM   1406 C CA  . PHE   A 1 166 ? -28.234 -12.135 -26.571 1.00 12.68  ? 172 PHE   B CA  1 
ATOM   1407 C C   . PHE   A 1 166 ? -28.772 -11.188 -25.488 1.00 11.28  ? 172 PHE   B C   1 
ATOM   1408 O O   . PHE   A 1 166 ? -28.247 -11.155 -24.338 1.00 11.55  ? 172 PHE   B O   1 
ATOM   1409 C CB  . PHE   A 1 166 ? -28.734 -13.546 -26.299 1.00 12.77  ? 172 PHE   B CB  1 
ATOM   1410 C CG  . PHE   A 1 166 ? -30.227 -13.664 -26.105 1.00 12.80  ? 172 PHE   B CG  1 
ATOM   1411 C CD1 . PHE   A 1 166 ? -31.083 -13.617 -27.208 1.00 12.97  ? 172 PHE   B CD1 1 
ATOM   1412 C CD2 . PHE   A 1 166 ? -30.804 -13.662 -24.843 1.00 13.01  ? 172 PHE   B CD2 1 
ATOM   1413 C CE1 . PHE   A 1 166 ? -32.457 -13.723 -27.044 1.00 13.15  ? 172 PHE   B CE1 1 
ATOM   1414 C CE2 . PHE   A 1 166 ? -32.178 -13.741 -24.691 1.00 12.88  ? 172 PHE   B CE2 1 
ATOM   1415 C CZ  . PHE   A 1 166 ? -32.993 -13.760 -25.795 1.00 13.05  ? 172 PHE   B CZ  1 
ATOM   1416 N N   . PHE   A 1 167 ? -29.838 -10.438 -25.809 1.00 11.55  ? 173 PHE   B N   1 
ATOM   1417 C CA  . PHE   A 1 167 ? -30.409 -9.407  -24.923 1.00 11.74  ? 173 PHE   B CA  1 
ATOM   1418 C C   . PHE   A 1 167 ? -31.929 -9.479  -25.005 1.00 12.36  ? 173 PHE   B C   1 
ATOM   1419 O O   . PHE   A 1 167 ? -32.466 -9.558  -26.129 1.00 12.51  ? 173 PHE   B O   1 
ATOM   1420 C CB  . PHE   A 1 167 ? -29.948 -7.994  -25.310 1.00 12.61  ? 173 PHE   B CB  1 
ATOM   1421 C CG  . PHE   A 1 167 ? -28.449 -7.842  -25.425 1.00 11.89  ? 173 PHE   B CG  1 
ATOM   1422 C CD1 . PHE   A 1 167 ? -27.787 -8.153  -26.613 1.00 12.55  ? 173 PHE   B CD1 1 
ATOM   1423 C CD2 . PHE   A 1 167 ? -27.679 -7.402  -24.353 1.00 13.45  ? 173 PHE   B CD2 1 
ATOM   1424 C CE1 . PHE   A 1 167 ? -26.409 -8.082  -26.724 1.00 13.36  ? 173 PHE   B CE1 1 
ATOM   1425 C CE2 . PHE   A 1 167 ? -26.308 -7.261  -24.493 1.00 13.62  ? 173 PHE   B CE2 1 
ATOM   1426 C CZ  . PHE   A 1 167 ? -25.672 -7.609  -25.672 1.00 14.08  ? 173 PHE   B CZ  1 
ATOM   1427 N N   . ASN   A 1 168 ? -32.601 -9.276  -23.882 1.00 13.18  ? 174 ASN   B N   1 
ATOM   1428 C CA  . ASN   A 1 168 ? -34.064 -9.027  -23.857 1.00 12.35  ? 174 ASN   B CA  1 
ATOM   1429 C C   . ASN   A 1 168 ? -34.294 -7.891  -22.863 1.00 12.11  ? 174 ASN   B C   1 
ATOM   1430 O O   . ASN   A 1 168 ? -33.971 -8.042  -21.683 1.00 13.77  ? 174 ASN   B O   1 
ATOM   1431 C CB  . ASN   A 1 168 ? -34.867 -10.276 -23.439 1.00 13.14  ? 174 ASN   B CB  1 
ATOM   1432 C CG  . ASN   A 1 168 ? -36.361 -10.105 -23.547 1.00 14.85  ? 174 ASN   B CG  1 
ATOM   1433 O OD1 . ASN   A 1 168 ? -36.874 -9.018  -23.832 1.00 14.30  ? 174 ASN   B OD1 1 
ATOM   1434 N ND2 . ASN   A 1 168 ? -37.083 -11.175 -23.323 1.00 16.59  ? 174 ASN   B ND2 1 
ATOM   1435 N N   . VAL   A 1 169 ? -34.813 -6.745  -23.339 1.00 12.05  ? 175 VAL   B N   1 
ATOM   1436 C CA  . VAL   A 1 169 ? -35.069 -5.572  -22.448 1.00 12.67  ? 175 VAL   B CA  1 
ATOM   1437 C C   . VAL   A 1 169 ? -36.329 -5.818  -21.592 1.00 13.93  ? 175 VAL   B C   1 
ATOM   1438 O O   . VAL   A 1 169 ? -36.576 -5.024  -20.658 1.00 14.45  ? 175 VAL   B O   1 
ATOM   1439 C CB  . VAL   A 1 169 ? -35.180 -4.233  -23.212 1.00 14.30  ? 175 VAL   B CB  1 
ATOM   1440 C CG1 . VAL   A 1 169 ? -33.864 -3.937  -23.920 1.00 14.56  ? 175 VAL   B CG1 1 
ATOM   1441 C CG2 . VAL   A 1 169 ? -36.334 -4.208  -24.208 1.00 14.64  ? 175 VAL   B CG2 1 
ATOM   1442 N N   . GLY   A 1 170 ? -37.107 -6.827  -21.970 1.00 14.33  ? 176 GLY   B N   1 
ATOM   1443 C CA  . GLY   A 1 170 ? -38.392 -7.125  -21.302 1.00 15.04  ? 176 GLY   B CA  1 
ATOM   1444 C C   . GLY   A 1 170 ? -39.507 -6.170  -21.659 1.00 15.55  ? 176 GLY   B C   1 
ATOM   1445 O O   . GLY   A 1 170 ? -39.286 -5.120  -22.290 1.00 15.16  ? 176 GLY   B O   1 
ATOM   1446 N N   . PHE   A 1 171 ? -40.740 -6.625  -21.425 1.00 15.92  ? 177 PHE   B N   1 
ATOM   1447 C CA  . PHE   A 1 171 ? -41.930 -5.769  -21.668 1.00 15.91  ? 177 PHE   B CA  1 
ATOM   1448 C C   . PHE   A 1 171 ? -41.979 -4.695  -20.602 1.00 15.10  ? 177 PHE   B C   1 
ATOM   1449 O O   . PHE   A 1 171 ? -41.244 -4.722  -19.614 1.00 14.22  ? 177 PHE   B O   1 
ATOM   1450 C CB  . PHE   A 1 171 ? -43.201 -6.634  -21.692 1.00 16.76  ? 177 PHE   B CB  1 
ATOM   1451 C CG  . PHE   A 1 171 ? -43.350 -7.572  -22.863 1.00 17.45  ? 177 PHE   B CG  1 
ATOM   1452 C CD1 . PHE   A 1 171 ? -43.769 -7.112  -24.100 1.00 21.48  ? 177 PHE   B CD1 1 
ATOM   1453 C CD2 . PHE   A 1 171 ? -43.028 -8.910  -22.738 1.00 19.38  ? 177 PHE   B CD2 1 
ATOM   1454 C CE1 . PHE   A 1 171 ? -43.895 -7.992  -25.172 1.00 22.84  ? 177 PHE   B CE1 1 
ATOM   1455 C CE2 . PHE   A 1 171 ? -43.193 -9.780  -23.799 1.00 19.83  ? 177 PHE   B CE2 1 
ATOM   1456 C CZ  . PHE   A 1 171 ? -43.619 -9.313  -24.995 1.00 19.06  ? 177 PHE   B CZ  1 
ATOM   1457 N N   . ASN   A 1 172 ? -42.859 -3.743  -20.828 1.00 15.30  ? 178 ASN   B N   1 
ATOM   1458 C CA  . ASN   A 1 172 ? -43.055 -2.636  -19.862 1.00 14.32  ? 178 ASN   B CA  1 
ATOM   1459 C C   . ASN   A 1 172 ? -44.569 -2.464  -19.695 1.00 15.17  ? 178 ASN   B C   1 
ATOM   1460 O O   . ASN   A 1 172 ? -45.073 -1.328  -19.810 1.00 16.44  ? 178 ASN   B O   1 
ATOM   1461 C CB  . ASN   A 1 172 ? -42.352 -1.369  -20.328 1.00 15.59  ? 178 ASN   B CB  1 
ATOM   1462 C CG  . ASN   A 1 172 ? -42.391 -0.256  -19.308 1.00 14.68  ? 178 ASN   B CG  1 
ATOM   1463 O OD1 . ASN   A 1 172 ? -42.420 -0.500  -18.108 1.00 14.83  ? 178 ASN   B OD1 1 
ATOM   1464 N ND2 . ASN   A 1 172 ? -42.355 0.980   -19.786 1.00 17.45  ? 178 ASN   B ND2 1 
ATOM   1465 N N   . TYR   A 1 173 ? -45.241 -3.518  -19.293 1.00 15.56  ? 179 TYR   B N   1 
ATOM   1466 C CA  . TYR   A 1 173 ? -46.674 -3.410  -18.900 1.00 15.06  ? 179 TYR   B CA  1 
ATOM   1467 C C   . TYR   A 1 173 ? -46.836 -2.545  -17.649 1.00 15.58  ? 179 TYR   B C   1 
ATOM   1468 O O   . TYR   A 1 173 ? -47.923 -1.911  -17.471 1.00 16.83  ? 179 TYR   B O   1 
ATOM   1469 C CB  . TYR   A 1 173 ? -47.259 -4.809  -18.658 1.00 16.24  ? 179 TYR   B CB  1 
ATOM   1470 C CG  . TYR   A 1 173 ? -47.357 -5.685  -19.877 1.00 18.23  ? 179 TYR   B CG  1 
ATOM   1471 C CD1 . TYR   A 1 173 ? -48.368 -5.495  -20.797 1.00 22.69  ? 179 TYR   B CD1 1 
ATOM   1472 C CD2 . TYR   A 1 173 ? -46.508 -6.765  -20.051 1.00 21.11  ? 179 TYR   B CD2 1 
ATOM   1473 C CE1 . TYR   A 1 173 ? -48.430 -6.244  -21.969 1.00 25.68  ? 179 TYR   B CE1 1 
ATOM   1474 C CE2 . TYR   A 1 173 ? -46.577 -7.535  -21.210 1.00 22.07  ? 179 TYR   B CE2 1 
ATOM   1475 C CZ  . TYR   A 1 173 ? -47.545 -7.288  -22.154 1.00 24.59  ? 179 TYR   B CZ  1 
ATOM   1476 O OH  . TYR   A 1 173 ? -47.629 -8.086  -23.276 1.00 30.43  ? 179 TYR   B OH  1 
ATOM   1477 N N   . SER   A 1 174 ? -45.894 -2.564  -16.717 1.00 14.40  ? 180 SER   B N   1 
ATOM   1478 C CA  . SER   A 1 174 ? -46.001 -1.965  -15.373 1.00 15.68  ? 180 SER   B CA  1 
ATOM   1479 C C   . SER   A 1 174 ? -45.686 -0.464  -15.416 1.00 15.02  ? 180 SER   B C   1 
ATOM   1480 O O   . SER   A 1 174 ? -45.951 0.203   -14.397 1.00 17.26  ? 180 SER   B O   1 
ATOM   1481 C CB  . SER   A 1 174 ? -45.049 -2.611  -14.408 1.00 16.92  ? 180 SER   B CB  1 
ATOM   1482 O OG  . SER   A 1 174 ? -43.705 -2.362  -14.802 1.00 16.33  ? 180 SER   B OG  1 
ATOM   1483 N N   . GLY   A 1 175 ? -45.021 0.022   -16.457 1.00 15.73  ? 181 GLY   B N   1 
ATOM   1484 C CA  . GLY   A 1 175 ? -44.458 1.387   -16.436 1.00 16.24  ? 181 GLY   B CA  1 
ATOM   1485 C C   . GLY   A 1 175 ? -43.213 1.505   -15.573 1.00 17.58  ? 181 GLY   B C   1 
ATOM   1486 O O   . GLY   A 1 175 ? -42.672 2.617   -15.479 1.00 19.94  ? 181 GLY   B O   1 
ATOM   1487 N N   . GLY   A 1 176 ? -42.713 0.403   -14.992 1.00 16.41  ? 182 GLY   B N   1 
ATOM   1488 C CA  . GLY   A 1 176 ? -41.497 0.455   -14.179 1.00 15.92  ? 182 GLY   B CA  1 
ATOM   1489 C C   . GLY   A 1 176 ? -40.285 -0.198  -14.867 1.00 16.52  ? 182 GLY   B C   1 
ATOM   1490 O O   . GLY   A 1 176 ? -39.221 -0.276  -14.192 1.00 17.56  ? 182 GLY   B O   1 
ATOM   1491 N N   . ASN   A 1 177 ? -40.424 -0.621  -16.123 1.00 14.27  ? 183 ASN   B N   1 
ATOM   1492 C CA  . ASN   A 1 177 ? -39.336 -1.322  -16.821 1.00 14.47  ? 183 ASN   B CA  1 
ATOM   1493 C C   . ASN   A 1 177 ? -38.858 -0.603  -18.087 1.00 14.66  ? 183 ASN   B C   1 
ATOM   1494 O O   . ASN   A 1 177 ? -38.368 -1.272  -18.986 1.00 15.30  ? 183 ASN   B O   1 
ATOM   1495 C CB  . ASN   A 1 177 ? -39.712 -2.767  -17.166 1.00 15.12  ? 183 ASN   B CB  1 
ATOM   1496 C CG  . ASN   A 1 177 ? -38.493 -3.638  -17.441 1.00 14.58  ? 183 ASN   B CG  1 
ATOM   1497 O OD1 . ASN   A 1 177 ? -37.453 -3.436  -16.823 1.00 15.44  ? 183 ASN   B OD1 1 
ATOM   1498 N ND2 . ASN   A 1 177 ? -38.654 -4.539  -18.387 1.00 14.26  ? 183 ASN   B ND2 1 
ATOM   1499 N N   . ALA   A 1 178 ? -38.956 0.726   -18.185 1.00 14.63  ? 184 ALA   B N   1 
ATOM   1500 C CA  . ALA   A 1 178 ? -38.552 1.445   -19.419 1.00 15.08  ? 184 ALA   B CA  1 
ATOM   1501 C C   . ALA   A 1 178 ? -37.035 1.571   -19.579 1.00 14.93  ? 184 ALA   B C   1 
ATOM   1502 O O   . ALA   A 1 178 ? -36.603 1.852   -20.725 1.00 17.74  ? 184 ALA   B O   1 
ATOM   1503 C CB  . ALA   A 1 178 ? -39.154 2.853   -19.360 1.00 14.95  ? 184 ALA   B CB  1 
ATOM   1504 N N   . ALA   A 1 179 ? -36.275 1.430   -18.500 1.00 15.02  ? 185 ALA   B N   1 
ATOM   1505 C CA  . ALA   A 1 179 ? -34.823 1.724   -18.541 1.00 14.64  ? 185 ALA   B CA  1 
ATOM   1506 C C   . ALA   A 1 179 ? -34.141 0.835   -19.574 1.00 15.66  ? 185 ALA   B C   1 
ATOM   1507 O O   . ALA   A 1 179 ? -34.536 -0.306  -19.832 1.00 15.18  ? 185 ALA   B O   1 
ATOM   1508 C CB  . ALA   A 1 179 ? -34.212 1.609   -17.171 1.00 15.01  ? 185 ALA   B CB  1 
ATOM   1509 N N   . PRO   A 1 180 ? -33.064 1.338   -20.197 1.00 15.63  ? 186 PRO   B N   1 
ATOM   1510 C CA  . PRO   A 1 180 ? -32.317 0.567   -21.194 1.00 14.59  ? 186 PRO   B CA  1 
ATOM   1511 C C   . PRO   A 1 180 ? -31.364 -0.492  -20.597 1.00 13.37  ? 186 PRO   B C   1 
ATOM   1512 O O   . PRO   A 1 180 ? -31.048 -0.478  -19.403 1.00 14.43  ? 186 PRO   B O   1 
ATOM   1513 C CB  . PRO   A 1 180 ? -31.426 1.657   -21.852 1.00 17.03  ? 186 PRO   B CB  1 
ATOM   1514 C CG  . PRO   A 1 180 ? -31.203 2.662   -20.765 1.00 18.38  ? 186 PRO   B CG  1 
ATOM   1515 C CD  . PRO   A 1 180 ? -32.507 2.681   -19.970 1.00 18.39  ? 186 PRO   B CD  1 
ATOM   1516 N N   . LEU   A 1 181 ? -31.000 -1.472  -21.425 1.00 13.87  ? 187 LEU   B N   1 
ATOM   1517 C CA  . LEU   A 1 181 ? -29.758 -2.240  -21.266 1.00 14.10  ? 187 LEU   B CA  1 
ATOM   1518 C C   . LEU   A 1 181 ? -28.631 -1.423  -21.910 1.00 14.69  ? 187 LEU   B C   1 
ATOM   1519 O O   . LEU   A 1 181 ? -28.834 -0.954  -23.066 1.00 16.98  ? 187 LEU   B O   1 
ATOM   1520 C CB  . LEU   A 1 181 ? -29.916 -3.601  -21.925 1.00 14.43  ? 187 LEU   B CB  1 
ATOM   1521 C CG  . LEU   A 1 181 ? -30.958 -4.564  -21.323 1.00 14.48  ? 187 LEU   B CG  1 
ATOM   1522 C CD1 . LEU   A 1 181 ? -31.097 -5.857  -22.127 1.00 15.71  ? 187 LEU   B CD1 1 
ATOM   1523 C CD2 . LEU   A 1 181 ? -30.585 -4.898  -19.877 1.00 16.20  ? 187 LEU   B CD2 1 
ATOM   1524 N N   . LYS   A 1 182 ? -27.480 -1.329  -21.263 1.00 15.13  ? 188 LYS   B N   1 
ATOM   1525 C CA  . LYS   A 1 182 ? -26.317 -0.597  -21.812 1.00 15.72  ? 188 LYS   B CA  1 
ATOM   1526 C C   . LYS   A 1 182 ? -25.095 -1.481  -21.780 1.00 15.26  ? 188 LYS   B C   1 
ATOM   1527 O O   . LYS   A 1 182 ? -24.768 -1.996  -20.702 1.00 15.61  ? 188 LYS   B O   1 
ATOM   1528 C CB  . LYS   A 1 182 ? -26.062 0.690   -21.034 1.00 17.74  ? 188 LYS   B CB  1 
ATOM   1529 C CG  . LYS   A 1 182 ? -27.241 1.618   -20.852 1.00 20.91  ? 188 LYS   B CG  1 
ATOM   1530 C CD  . LYS   A 1 182 ? -26.780 2.932   -20.211 1.00 26.95  ? 188 LYS   B CD  1 
ATOM   1531 C CE  . LYS   A 1 182 ? -27.893 3.873   -19.831 1.00 32.57  ? 188 LYS   B CE  1 
ATOM   1532 N NZ  . LYS   A 1 182 ? -27.346 5.016   -19.054 1.00 37.04  ? 188 LYS   B NZ  1 
ATOM   1533 N N   . LEU   A 1 183 ? -24.372 -1.556  -22.883 1.00 16.52  ? 189 LEU   B N   1 
ATOM   1534 C CA  . LEU   A 1 183 ? -23.047 -2.225  -22.846 1.00 16.51  ? 189 LEU   B CA  1 
ATOM   1535 C C   . LEU   A 1 183 ? -22.045 -1.277  -22.190 1.00 17.86  ? 189 LEU   B C   1 
ATOM   1536 O O   . LEU   A 1 183 ? -21.907 -0.116  -22.648 1.00 20.62  ? 189 LEU   B O   1 
ATOM   1537 C CB  . LEU   A 1 183 ? -22.672 -2.638  -24.263 1.00 16.31  ? 189 LEU   B CB  1 
ATOM   1538 C CG  . LEU   A 1 183 ? -23.408 -3.885  -24.726 1.00 17.39  ? 189 LEU   B CG  1 
ATOM   1539 C CD1 . LEU   A 1 183 ? -23.601 -3.966  -26.232 1.00 22.78  ? 189 LEU   B CD1 1 
ATOM   1540 C CD2 . LEU   A 1 183 ? -22.741 -5.135  -24.163 1.00 16.06  ? 189 LEU   B CD2 1 
ATOM   1541 N N   . CYS   A 1 184 ? -21.393 -1.755  -21.131 1.00 18.99  ? 190 CYS   B N   1 
ATOM   1542 C CA  . CYS   A 1 184 ? -20.472 -0.916  -20.308 1.00 20.37  ? 190 CYS   B CA  1 
ATOM   1543 C C   . CYS   A 1 184 ? -19.111 -0.814  -20.965 1.00 23.63  ? 190 CYS   B C   1 
ATOM   1544 O O   . CYS   A 1 184 ? -18.612 -1.767  -21.527 1.00 23.85  ? 190 CYS   B O   1 
ATOM   1545 C CB  . CYS   A 1 184 ? -20.184 -1.527  -18.952 1.00 23.22  ? 190 CYS   B CB  1 
ATOM   1546 S SG  . CYS   A 1 184 ? -21.641 -1.993  -18.018 1.00 24.32  ? 190 CYS   B SG  1 
ATOM   1547 N N   . PRO   A 1 185 ? -18.438 0.341   -20.810 1.00 27.65  ? 191 PRO   B N   1 
ATOM   1548 C CA  . PRO   A 1 185 ? -17.111 0.538   -21.361 1.00 33.19  ? 191 PRO   B CA  1 
ATOM   1549 C C   . PRO   A 1 185 ? -16.121 -0.408  -20.678 1.00 32.16  ? 191 PRO   B C   1 
ATOM   1550 O O   . PRO   A 1 185 ? -16.308 -0.701  -19.496 1.00 31.97  ? 191 PRO   B O   1 
ATOM   1551 C CB  . PRO   A 1 185 ? -16.875 2.048   -21.115 1.00 32.16  ? 191 PRO   B CB  1 
ATOM   1552 C CG  . PRO   A 1 185 ? -17.742 2.383   -19.923 1.00 33.44  ? 191 PRO   B CG  1 
ATOM   1553 C CD  . PRO   A 1 185 ? -18.977 1.539   -20.133 1.00 31.61  ? 191 PRO   B CD  1 
ATOM   1554 N N   . LEU   A 1 186 ? -15.157 -0.856  -21.483 1.00 37.86  ? 192 LEU   B N   1 
ATOM   1555 C CA  . LEU   A 1 186 ? -13.898 -1.589  -21.184 1.00 43.77  ? 192 LEU   B CA  1 
ATOM   1556 C C   . LEU   A 1 186 ? -12.924 -0.695  -20.414 1.00 46.06  ? 192 LEU   B C   1 
ATOM   1557 O O   . LEU   A 1 186 ? -12.316 -1.206  -19.465 1.00 53.81  ? 192 LEU   B O   1 
ATOM   1558 C CB  . LEU   A 1 186 ? -13.274 -1.979  -22.529 1.00 41.70  ? 192 LEU   B CB  1 
HETATM 1559 N N1  . A1AP3 B 2 .   ? -45.476 -3.248  -24.816 0.34 23.97  ? 201 A1AP3 B N1  1 
HETATM 1560 C C4  . A1AP3 B 2 .   ? -44.327 -3.170  -25.727 0.34 24.41  ? 201 A1AP3 B C4  1 
HETATM 1561 C C5  . A1AP3 B 2 .   ? -46.719 -2.956  -25.290 0.34 23.81  ? 201 A1AP3 B C5  1 
HETATM 1562 C C6  . A1AP3 B 2 .   ? -47.809 -3.019  -24.502 0.34 23.97  ? 201 A1AP3 B C6  1 
HETATM 1563 C C7  . A1AP3 B 2 .   ? -47.656 -3.370  -23.153 0.34 23.61  ? 201 A1AP3 B C7  1 
HETATM 1564 C C8  . A1AP3 B 2 .   ? -46.432 -3.660  -22.662 0.34 23.13  ? 201 A1AP3 B C8  1 
HETATM 1565 N N   . A1AP3 B 2 .   ? -44.852 -5.056  -27.405 0.34 27.81  ? 201 A1AP3 B N   1 
HETATM 1566 C C   . A1AP3 B 2 .   ? -43.398 -8.093  -29.047 0.34 29.50  ? 201 A1AP3 B C   1 
HETATM 1567 O O   . A1AP3 B 2 .   ? -44.114 -3.847  -23.095 0.34 20.80  ? 201 A1AP3 B O   1 
HETATM 1568 C C1  . A1AP3 B 2 .   ? -44.542 -7.119  -28.829 0.34 29.97  ? 201 A1AP3 B C1  1 
HETATM 1569 C C2  . A1AP3 B 2 .   ? -44.174 -6.064  -27.858 0.34 29.07  ? 201 A1AP3 B C2  1 
HETATM 1570 C C3  . A1AP3 B 2 .   ? -44.048 -4.412  -26.508 0.34 26.12  ? 201 A1AP3 B C3  1 
HETATM 1571 C C9  . A1AP3 B 2 .   ? -45.266 -3.605  -23.480 0.34 22.03  ? 201 A1AP3 B C9  1 
HETATM 1572 N N2  . A1AP3 B 2 .   ? -42.917 -5.012  -26.418 0.34 27.43  ? 201 A1AP3 B N2  1 
HETATM 1573 O O1  . A1AP3 B 2 .   ? -42.967 -6.119  -27.295 0.34 28.06  ? 201 A1AP3 B O1  1 
HETATM 1574 C C1  . EDO   C 3 .   ? -50.386 -17.176 -33.186 1.00 43.06  ? 202 EDO   B C1  1 
HETATM 1575 O O1  . EDO   C 3 .   ? -49.180 -16.454 -33.224 1.00 36.27  ? 202 EDO   B O1  1 
HETATM 1576 C C2  . EDO   C 3 .   ? -50.973 -17.118 -31.849 1.00 41.65  ? 202 EDO   B C2  1 
HETATM 1577 O O2  . EDO   C 3 .   ? -51.192 -15.775 -31.537 1.00 48.81  ? 202 EDO   B O2  1 
HETATM 1578 S S   . SO4   D 4 .   ? -40.495 -24.687 -26.297 1.00 49.03  ? 203 SO4   B S   1 
HETATM 1579 O O1  . SO4   D 4 .   ? -39.780 -23.706 -27.060 1.00 28.39  ? 203 SO4   B O1  1 
HETATM 1580 O O2  . SO4   D 4 .   ? -41.373 -25.410 -27.164 1.00 53.79  ? 203 SO4   B O2  1 
HETATM 1581 O O3  . SO4   D 4 .   ? -39.557 -25.614 -25.703 1.00 53.10  ? 203 SO4   B O3  1 
HETATM 1582 O O4  . SO4   D 4 .   ? -41.249 -24.056 -25.244 1.00 49.39  ? 203 SO4   B O4  1 
HETATM 1583 N N1  . EPE   E 5 .   ? -38.878 -15.597 -19.823 1.00 37.37  ? 204 EPE   B N1  1 
HETATM 1584 C C2  . EPE   E 5 .   ? -38.074 -15.335 -18.618 1.00 35.44  ? 204 EPE   B C2  1 
HETATM 1585 C C3  . EPE   E 5 .   ? -38.156 -13.895 -18.172 1.00 30.62  ? 204 EPE   B C3  1 
HETATM 1586 N N4  . EPE   E 5 .   ? -37.785 -12.972 -19.254 1.00 30.00  ? 204 EPE   B N4  1 
HETATM 1587 C C5  . EPE   E 5 .   ? -38.639 -13.228 -20.412 1.00 33.20  ? 204 EPE   B C5  1 
HETATM 1588 C C6  . EPE   E 5 .   ? -38.481 -14.652 -20.880 1.00 35.43  ? 204 EPE   B C6  1 
HETATM 1589 C C7  . EPE   E 5 .   ? -37.877 -11.578 -18.815 1.00 28.98  ? 204 EPE   B C7  1 
HETATM 1590 C C8  . EPE   E 5 .   ? -37.795 -10.548 -19.928 1.00 29.74  ? 204 EPE   B C8  1 
HETATM 1591 O O8  . EPE   E 5 .   ? -38.978 -10.464 -20.710 1.00 29.99  ? 204 EPE   B O8  1 
HETATM 1592 C C9  . EPE   E 5 .   ? -38.683 -16.980 -20.286 1.00 40.47  ? 204 EPE   B C9  1 
HETATM 1593 C C10 . EPE   E 5 .   ? -39.891 -17.882 -20.073 1.00 41.54  ? 204 EPE   B C10 1 
HETATM 1594 S S   . EPE   E 5 .   ? -39.527 -19.555 -20.556 1.00 41.27  ? 204 EPE   B S   1 
HETATM 1595 O O1S . EPE   E 5 .   ? -39.777 -20.361 -19.392 1.00 42.12  ? 204 EPE   B O1S 1 
HETATM 1596 O O2S . EPE   E 5 .   ? -38.189 -19.520 -21.085 1.00 36.88  ? 204 EPE   B O2S 1 
HETATM 1597 O O3S . EPE   E 5 .   ? -40.586 -19.774 -21.676 1.00 42.00  ? 204 EPE   B O3S 1 
HETATM 1598 O O   . HOH   F 6 .   ? -33.736 4.921   -16.767 1.00 45.59  ? 301 HOH   B O   1 
HETATM 1599 O O   . HOH   F 6 .   ? -26.906 -28.513 -27.875 1.00 25.88  ? 302 HOH   B O   1 
HETATM 1600 O O   . HOH   F 6 .   ? -29.641 -12.556 -37.758 1.00 25.40  ? 303 HOH   B O   1 
HETATM 1601 O O   . HOH   F 6 .   ? -38.551 -15.221 -11.729 1.00 40.89  ? 304 HOH   B O   1 
HETATM 1602 O O   . HOH   F 6 .   ? -44.755 7.615   -24.530 1.00 43.31  ? 305 HOH   B O   1 
HETATM 1603 O O   . HOH   F 6 .   ? -36.226 5.361   -15.729 1.00 26.67  ? 306 HOH   B O   1 
HETATM 1604 O O   . HOH   F 6 .   ? -22.689 -1.673  -9.841  1.00 29.85  ? 307 HOH   B O   1 
HETATM 1605 O O   . HOH   F 6 .   ? -42.284 1.501   -22.777 1.00 41.87  ? 308 HOH   B O   1 
HETATM 1606 O O   . HOH   F 6 .   ? -9.572  -18.669 -30.286 1.00 51.86  ? 309 HOH   B O   1 
HETATM 1607 O O   . HOH   F 6 .   ? -40.078 -1.120  -9.838  1.00 32.30  ? 310 HOH   B O   1 
HETATM 1608 O O   . HOH   F 6 .   ? -39.966 -11.626 -22.735 1.00 33.55  ? 311 HOH   B O   1 
HETATM 1609 O O   . HOH   F 6 .   ? -26.282 3.540   -35.280 1.00 35.66  ? 312 HOH   B O   1 
HETATM 1610 O O   . HOH   F 6 .   ? -37.981 2.842   -22.763 1.00 25.45  ? 313 HOH   B O   1 
HETATM 1611 O O   . HOH   F 6 .   ? -38.314 0.604   -11.943 1.00 39.12  ? 314 HOH   B O   1 
HETATM 1612 O O   . HOH   F 6 .   ? -15.473 -5.358  -13.793 1.00 36.40  ? 315 HOH   B O   1 
HETATM 1613 O O   . HOH   F 6 .   ? -20.841 -6.068  -2.106  1.00 47.64  ? 316 HOH   B O   1 
HETATM 1614 O O   . HOH   F 6 .   ? -18.724 -22.044 -35.773 1.00 19.97  ? 317 HOH   B O   1 
HETATM 1615 O O   . HOH   F 6 .   ? -13.578 -23.599 -31.526 1.00 18.03  ? 318 HOH   B O   1 
HETATM 1616 O O   . HOH   F 6 .   ? -35.950 -22.484 -19.515 1.00 29.69  ? 319 HOH   B O   1 
HETATM 1617 O O   . HOH   F 6 .   ? -33.011 1.066   -33.521 1.00 22.66  ? 320 HOH   B O   1 
HETATM 1618 O O   . HOH   F 6 .   ? -30.770 -6.677  -11.297 1.00 17.34  ? 321 HOH   B O   1 
HETATM 1619 O O   . HOH   F 6 .   ? -25.985 -22.715 -35.697 1.00 28.33  ? 322 HOH   B O   1 
HETATM 1620 O O   . HOH   F 6 .   ? -13.717 -20.962 -35.309 1.00 33.28  ? 323 HOH   B O   1 
HETATM 1621 O O   . HOH   F 6 .   ? -17.752 -4.283  -5.851  1.00 49.58  ? 324 HOH   B O   1 
HETATM 1622 O O   . HOH   F 6 .   ? -38.273 3.724   -42.055 1.00 34.57  ? 325 HOH   B O   1 
HETATM 1623 O O   . HOH   F 6 .   ? -45.303 0.156   -11.809 1.00 31.54  ? 326 HOH   B O   1 
HETATM 1624 O O   . HOH   F 6 .   ? -24.633 -30.889 -21.883 1.00 40.25  ? 327 HOH   B O   1 
HETATM 1625 O O   . HOH   F 6 .   ? -19.316 -4.278  -22.114 1.00 19.33  ? 328 HOH   B O   1 
HETATM 1626 O O   . HOH   F 6 .   ? -36.642 -26.235 -23.747 1.00 40.68  ? 329 HOH   B O   1 
HETATM 1627 O O   . HOH   F 6 .   ? -47.112 -17.014 -31.622 1.00 22.41  ? 330 HOH   B O   1 
HETATM 1628 O O   . HOH   F 6 .   ? -12.674 -21.239 -18.790 1.00 30.21  ? 331 HOH   B O   1 
HETATM 1629 O O   . HOH   F 6 .   ? -17.538 -21.264 -12.373 1.00 21.33  ? 332 HOH   B O   1 
HETATM 1630 O O   . HOH   F 6 .   ? -25.345 -14.173 -3.365  1.00 38.98  ? 333 HOH   B O   1 
HETATM 1631 O O   . HOH   F 6 .   ? -19.236 -29.748 -15.629 1.00 33.31  ? 334 HOH   B O   1 
HETATM 1632 O O   . HOH   F 6 .   ? -26.485 1.956   -11.089 1.00 32.56  ? 335 HOH   B O   1 
HETATM 1633 O O   . HOH   F 6 .   ? -45.217 -12.450 -26.560 1.00 38.32  ? 336 HOH   B O   1 
HETATM 1634 O O   . HOH   F 6 .   ? -30.823 -20.362 -21.272 1.00 14.56  ? 337 HOH   B O   1 
HETATM 1635 O O   . HOH   F 6 .   ? -17.506 -27.631 -19.623 1.00 22.08  ? 338 HOH   B O   1 
HETATM 1636 O O   . HOH   F 6 .   ? -42.957 -15.295 -10.039 1.00 24.17  ? 339 HOH   B O   1 
HETATM 1637 O O   . HOH   F 6 .   ? -36.580 -23.176 -30.818 1.00 33.07  ? 340 HOH   B O   1 
HETATM 1638 O O   . HOH   F 6 .   ? -18.480 -4.627  -24.797 1.00 20.39  ? 341 HOH   B O   1 
HETATM 1639 O O   . HOH   F 6 .   ? -9.002  -13.522 -25.372 1.00 38.91  ? 342 HOH   B O   1 
HETATM 1640 O O   . HOH   F 6 .   ? -49.790 -1.842  -19.442 1.00 32.95  ? 343 HOH   B O   1 
HETATM 1641 O O   . HOH   F 6 .   ? -30.629 1.128   -17.009 1.00 33.31  ? 344 HOH   B O   1 
HETATM 1642 O O   . HOH   F 6 .   ? -28.275 -21.487 -8.859  1.00 22.45  ? 345 HOH   B O   1 
HETATM 1643 O O   . HOH   F 6 .   ? -38.555 -7.621  -10.748 1.00 18.33  ? 346 HOH   B O   1 
HETATM 1644 O O   . HOH   F 6 .   ? -37.301 -25.348 -11.189 1.00 37.15  ? 347 HOH   B O   1 
HETATM 1645 O O   . HOH   F 6 .   ? -23.819 1.229   -10.862 1.00 39.97  ? 348 HOH   B O   1 
HETATM 1646 O O   . HOH   F 6 .   ? -30.261 -24.038 -33.891 1.00 27.63  ? 349 HOH   B O   1 
HETATM 1647 O O   . HOH   F 6 .   ? -40.669 -14.462 -8.441  1.00 30.70  ? 350 HOH   B O   1 
HETATM 1648 O O   . HOH   F 6 .   ? -35.850 -19.388 -30.447 1.00 37.66  ? 351 HOH   B O   1 
HETATM 1649 O O   . HOH   F 6 .   ? -17.914 -19.813 -37.521 1.00 40.99  ? 352 HOH   B O   1 
HETATM 1650 O O   . HOH   F 6 .   ? -38.686 -2.540  -21.401 1.00 17.41  ? 353 HOH   B O   1 
HETATM 1651 O O   . HOH   F 6 .   ? -16.040 -19.464 -15.704 1.00 28.25  ? 354 HOH   B O   1 
HETATM 1652 O O   . HOH   F 6 .   ? -16.612 -5.453  -9.462  1.00 36.35  ? 355 HOH   B O   1 
HETATM 1653 O O   . HOH   F 6 .   ? -27.812 -27.526 -25.780 1.00 32.20  ? 356 HOH   B O   1 
HETATM 1654 O O   . HOH   F 6 .   ? -32.748 -18.418 -37.247 1.00 43.17  ? 357 HOH   B O   1 
HETATM 1655 O O   . HOH   F 6 .   ? -15.115 -19.761 -37.514 1.00 35.12  ? 358 HOH   B O   1 
HETATM 1656 O O   . HOH   F 6 .   ? -36.280 -1.853  -33.866 1.00 26.04  ? 359 HOH   B O   1 
HETATM 1657 O O   . HOH   F 6 .   ? -20.874 -16.242 -5.533  1.00 20.46  ? 360 HOH   B O   1 
HETATM 1658 O O   . HOH   F 6 .   ? -26.611 -17.532 -7.723  1.00 20.65  ? 361 HOH   B O   1 
HETATM 1659 O O   . HOH   F 6 .   ? -23.166 2.313   -23.126 1.00 34.81  ? 362 HOH   B O   1 
HETATM 1660 O O   . HOH   F 6 .   ? -34.168 -22.053 -31.305 1.00 20.33  ? 363 HOH   B O   1 
HETATM 1661 O O   . HOH   F 6 .   ? -10.205 -23.486 -21.730 1.00 32.17  ? 364 HOH   B O   1 
HETATM 1662 O O   . HOH   F 6 .   ? -26.517 -25.802 -16.341 1.00 19.76  ? 365 HOH   B O   1 
HETATM 1663 O O   . HOH   F 6 .   ? -42.519 -5.854  -12.316 1.00 26.47  ? 366 HOH   B O   1 
HETATM 1664 O O   . HOH   F 6 .   ? -27.114 -20.130 -6.898  1.00 22.06  ? 367 HOH   B O   1 
HETATM 1665 O O   . HOH   F 6 .   ? -10.822 -21.211 -25.191 1.00 26.92  ? 368 HOH   B O   1 
HETATM 1666 O O   . HOH   F 6 .   ? -40.318 -14.424 -31.329 1.00 16.77  ? 369 HOH   B O   1 
HETATM 1667 O O   . HOH   F 6 .   ? -18.239 -17.321 -36.188 1.00 28.82  ? 370 HOH   B O   1 
HETATM 1668 O O   . HOH   F 6 .   ? -35.481 -4.817  -42.212 1.00 25.05  ? 371 HOH   B O   1 
HETATM 1669 O O   . HOH   F 6 .   ? -42.197 -4.011  -39.426 1.00 25.94  ? 372 HOH   B O   1 
HETATM 1670 O O   . HOH   F 6 .   ? -12.958 -18.469 -34.914 1.00 38.71  ? 373 HOH   B O   1 
HETATM 1671 O O   . HOH   F 6 .   ? -45.700 -14.761 -27.517 1.00 37.81  ? 374 HOH   B O   1 
HETATM 1672 O O   . HOH   F 6 .   ? -36.431 -0.962  -22.086 1.00 15.79  ? 375 HOH   B O   1 
HETATM 1673 O O   . HOH   F 6 .   ? -23.294 4.398   -24.672 1.00 28.95  ? 376 HOH   B O   1 
HETATM 1674 O O   . HOH   F 6 .   ? -36.979 0.812   -15.545 1.00 19.52  ? 377 HOH   B O   1 
HETATM 1675 O O   . HOH   F 6 .   ? -19.741 1.751   -30.587 1.00 32.16  ? 378 HOH   B O   1 
HETATM 1676 O O   . HOH   F 6 .   ? -23.767 -21.075 -38.765 1.00 24.82  ? 379 HOH   B O   1 
HETATM 1677 O O   . HOH   F 6 .   ? -41.063 -9.326  -36.578 1.00 30.71  ? 380 HOH   B O   1 
HETATM 1678 O O   . HOH   F 6 .   ? -38.526 3.949   -13.575 1.00 36.04  ? 381 HOH   B O   1 
HETATM 1679 O O   . HOH   F 6 .   ? -32.307 -5.005  -12.911 1.00 16.08  ? 382 HOH   B O   1 
HETATM 1680 O O   . HOH   F 6 .   ? -45.902 -4.361  -33.960 1.00 26.93  ? 383 HOH   B O   1 
HETATM 1681 O O   . HOH   F 6 .   ? -24.477 -4.294  -36.925 1.00 42.28  ? 384 HOH   B O   1 
HETATM 1682 O O   . HOH   F 6 .   ? -33.491 -1.957  -38.431 1.00 29.81  ? 385 HOH   B O   1 
HETATM 1683 O O   . HOH   F 6 .   ? -33.342 -14.895 -6.980  1.00 24.57  ? 386 HOH   B O   1 
HETATM 1684 O O   . HOH   F 6 .   ? -41.641 -7.578  -3.683  1.00 47.65  ? 387 HOH   B O   1 
HETATM 1685 O O   . HOH   F 6 .   ? -41.257 -8.497  -13.366 1.00 22.78  ? 388 HOH   B O   1 
HETATM 1686 O O   . HOH   F 6 .   ? -25.740 -27.029 -23.835 1.00 19.44  ? 389 HOH   B O   1 
HETATM 1687 O O   . HOH   F 6 .   ? -14.597 -16.603 -33.372 1.00 35.51  ? 390 HOH   B O   1 
HETATM 1688 O O   . HOH   F 6 .   ? -18.974 -29.019 -23.382 1.00 29.22  ? 391 HOH   B O   1 
HETATM 1689 O O   . HOH   F 6 .   ? -25.297 -10.491 -23.609 1.00 14.77  ? 392 HOH   B O   1 
HETATM 1690 O O   . HOH   F 6 .   ? -9.285  -16.186 -26.549 1.00 33.76  ? 393 HOH   B O   1 
HETATM 1691 O O   . HOH   F 6 .   ? -39.841 2.709   -16.150 1.00 18.21  ? 394 HOH   B O   1 
HETATM 1692 O O   . HOH   F 6 .   ? -45.691 -19.810 -31.684 1.00 32.88  ? 395 HOH   B O   1 
HETATM 1693 O O   . HOH   F 6 .   ? -23.985 -12.359 -6.634  1.00 19.74  ? 396 HOH   B O   1 
HETATM 1694 O O   . HOH   F 6 .   ? -41.201 5.383   -28.655 1.00 30.72  ? 397 HOH   B O   1 
HETATM 1695 O O   . HOH   F 6 .   ? -41.107 -8.914  -19.395 1.00 16.23  ? 398 HOH   B O   1 
HETATM 1696 O O   . HOH   F 6 .   ? -41.148 -5.990  -37.928 1.00 35.30  ? 399 HOH   B O   1 
HETATM 1697 O O   . HOH   F 6 .   ? -24.797 -15.007 -6.860  1.00 19.36  ? 400 HOH   B O   1 
HETATM 1698 O O   . HOH   F 6 .   ? -17.962 -15.977 -6.150  1.00 25.08  ? 401 HOH   B O   1 
HETATM 1699 O O   . HOH   F 6 .   ? -13.237 -6.276  -29.318 1.00 36.36  ? 402 HOH   B O   1 
HETATM 1700 O O   . HOH   F 6 .   ? -36.405 -0.339  -42.213 1.00 36.30  ? 403 HOH   B O   1 
HETATM 1701 O O   . HOH   F 6 .   ? -42.297 -5.065  -43.751 1.00 26.73  ? 404 HOH   B O   1 
HETATM 1702 O O   . HOH   F 6 .   ? -34.254 -22.209 -36.151 1.00 50.70  ? 405 HOH   B O   1 
HETATM 1703 O O   . HOH   F 6 .   ? -40.819 6.332   -33.165 1.00 30.51  ? 406 HOH   B O   1 
HETATM 1704 O O   . HOH   F 6 .   ? -40.392 -7.446  -34.741 1.00 25.92  ? 407 HOH   B O   1 
HETATM 1705 O O   . HOH   F 6 .   ? -31.525 3.501   -26.821 1.00 27.56  ? 408 HOH   B O   1 
HETATM 1706 O O   . HOH   F 6 .   ? -9.212  -20.876 -28.908 1.00 48.06  ? 409 HOH   B O   1 
HETATM 1707 O O   . HOH   F 6 .   ? -24.711 -11.068 -4.234  1.00 26.55  ? 410 HOH   B O   1 
HETATM 1708 O O   . HOH   F 6 .   ? -28.894 7.760   -30.134 1.00 30.04  ? 411 HOH   B O   1 
HETATM 1709 O O   . HOH   F 6 .   ? -17.958 -11.222 -35.678 1.00 30.87  ? 412 HOH   B O   1 
HETATM 1710 O O   . HOH   F 6 .   ? -15.912 -14.755 -8.737  1.00 37.18  ? 413 HOH   B O   1 
HETATM 1711 O O   . HOH   F 6 .   ? -43.255 3.770   -18.828 1.00 21.95  ? 414 HOH   B O   1 
HETATM 1712 O O   . HOH   F 6 .   ? -31.078 4.059   -24.367 1.00 29.60  ? 415 HOH   B O   1 
HETATM 1713 O O   . HOH   F 6 .   ? -43.901 -0.576  -24.306 1.00 40.27  ? 416 HOH   B O   1 
HETATM 1714 O O   . HOH   F 6 .   ? -34.307 -7.051  -7.820  1.00 36.15  ? 417 HOH   B O   1 
HETATM 1715 O O   . HOH   F 6 .   ? -34.632 -8.874  -6.204  1.00 45.16  ? 418 HOH   B O   1 
HETATM 1716 O O   . HOH   F 6 .   ? -19.811 2.369   -24.053 1.00 41.69  ? 419 HOH   B O   1 
HETATM 1717 O O   . HOH   F 6 .   ? -52.463 -14.183 -29.005 1.00 49.03  ? 420 HOH   B O   1 
HETATM 1718 O O   . HOH   F 6 .   ? -25.230 7.031   -28.888 1.00 30.13  ? 421 HOH   B O   1 
HETATM 1719 O O   . HOH   F 6 .   ? -16.111 -11.982 -5.400  1.00 49.16  ? 422 HOH   B O   1 
HETATM 1720 O O   . HOH   F 6 .   ? -32.811 -23.578 -33.469 1.00 36.97  ? 423 HOH   B O   1 
HETATM 1721 O O   . HOH   F 6 .   ? -30.838 -17.265 -42.837 1.00 38.28  ? 424 HOH   B O   1 
HETATM 1722 O O   . HOH   F 6 .   ? -36.644 -6.751  -8.889  1.00 37.35  ? 425 HOH   B O   1 
HETATM 1723 O O   . HOH   F 6 .   ? -47.687 0.000   -32.841 0.50 27.62  ? 426 HOH   B O   1 
HETATM 1724 O O   . HOH   F 6 .   ? -15.897 -7.297  -11.260 1.00 38.04  ? 427 HOH   B O   1 
HETATM 1725 O O   . HOH   F 6 .   ? -25.992 -28.380 -21.593 1.00 43.12  ? 428 HOH   B O   1 
HETATM 1726 O O   . HOH   F 6 .   ? -21.783 6.875   -32.320 1.00 39.29  ? 429 HOH   B O   1 
HETATM 1727 O O   . HOH   F 6 .   ? -8.248  -22.982 -30.113 1.00 34.44  ? 430 HOH   B O   1 
HETATM 1728 O O   . HOH   F 6 .   ? -40.312 5.149   -22.014 1.00 42.08  ? 431 HOH   B O   1 
HETATM 1729 O O   . HOH   F 6 .   ? -41.504 -9.723  -43.961 1.00 43.66  ? 432 HOH   B O   1 
HETATM 1730 O O   . HOH   F 6 .   ? -22.843 3.377   -20.634 1.00 43.28  ? 433 HOH   B O   1 
HETATM 1731 O O   . HOH   F 6 .   ? -36.612 2.102   -43.245 1.00 44.83  ? 434 HOH   B O   1 
HETATM 1732 O O   . HOH   F 6 .   ? -42.057 -13.059 -22.328 1.00 34.82  ? 435 HOH   B O   1 
HETATM 1733 O O   . HOH   F 6 .   ? -15.810 -22.248 -14.569 1.00 33.66  ? 436 HOH   B O   1 
HETATM 1734 O O   . HOH   F 6 .   ? -28.332 -27.781 -16.743 1.00 30.94  ? 437 HOH   B O   1 
HETATM 1735 O O   . HOH   F 6 .   ? -15.880 -26.885 -17.192 1.00 38.80  ? 438 HOH   B O   1 
HETATM 1736 O O   . HOH   F 6 .   ? -26.293 -31.265 -23.938 1.00 34.52  ? 439 HOH   B O   1 
# 
