data_7HO7
# 
_entry.id   7HO7 
# 
_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   7HO7         pdb_00007ho7 10.2210/pdb7ho7/pdb 
WWPDB D_1001407721 ?            ?                   
# 
_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                        7HO7 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-04 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.SG_entry                        ? 
_pdbx_database_status.pdb_format_compatible           Y 
_pdbx_database_status.methods_development_category    ? 
# 
_pdbx_contact_author.id                 1 
_pdbx_contact_author.email              knapp@pharmchem.uni-frankfurt.de 
_pdbx_contact_author.name_first         Stefan 
_pdbx_contact_author.name_last          Knapp 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-5995-6494 
_pdbx_contact_author.name_mi            ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Kim, Y.'                              1 
'Marples, P.'                          2 
'Fearon, D.'                           3 
'von Delft, F.'                        4 
'Knapp, S.'                            5 
'Kraemer, A.'                          6 
'Structural Genomics Consortium (SGC)' 7 
# 
_citation.id                        primary 
_citation.title                     'PanDDA analysis group deposition' 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_volume            ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.year                      ? 
_citation.journal_id_ASTM           ? 
_citation.country                   ? 
_citation.journal_id_ISSN           ? 
_citation.journal_id_CSD            0353 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_DOI      ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.identifier_ORCID 
_citation_author.ordinal 
primary 'Kim, Y.'                              ? 1 
primary 'Marples, P.'                          ? 2 
primary 'Fearon, D.'                           ? 3 
primary 'von Delft, F.'                        ? 4 
primary 'Knapp, S.'                            ? 5 
primary 'Kraemer, A.'                          ? 6 
primary 'Structural Genomics Consortium (SGC)' ? 7 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'E3 ubiquitin-protein ligase TRIM21'       21596.361 1   2.3.2.27 ? ? ? 
2 non-polymer syn 1,2-ETHANEDIOL                             62.068    2   ?        ? ? ? 
3 non-polymer syn 'N-(4-methyl-1,3-thiazol-2-yl)propanamide' 170.232   1   ?        ? ? ? 
4 non-polymer syn 'SULFATE ION'                              96.063    1   ?        ? ? ? 
5 water       nat water                                      18.015    140 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;52 kDa Ro protein,52 kDa ribonucleoprotein autoantigen Ro/SS-A,Ro(SS-A),Sjoegren syndrome type A antigen,SS-A,Tripartite motif-containing protein 21
;
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_strand_id                 B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 1,2-ETHANEDIOL                             EDO 
3 'N-(4-methyl-1,3-thiazol-2-yl)propanamide' JFP 
4 'SULFATE ION'                              SO4 
5 water                                      HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   HIS n 
1 3   HIS n 
1 4   HIS n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   MET n 
1 9   VAL n 
1 10  HIS n 
1 11  ILE n 
1 12  THR n 
1 13  LEU n 
1 14  ASP n 
1 15  ARG n 
1 16  ASN n 
1 17  THR n 
1 18  ALA n 
1 19  ASN n 
1 20  SER n 
1 21  TRP n 
1 22  LEU n 
1 23  ILE n 
1 24  ILE n 
1 25  SER n 
1 26  LYS n 
1 27  ASP n 
1 28  ARG n 
1 29  ARG n 
1 30  GLN n 
1 31  VAL n 
1 32  ARG n 
1 33  MET n 
1 34  GLY n 
1 35  ASP n 
1 36  THR n 
1 37  HIS n 
1 38  GLN n 
1 39  ASN n 
1 40  VAL n 
1 41  SER n 
1 42  ASP n 
1 43  ASN n 
1 44  LYS n 
1 45  GLU n 
1 46  ARG n 
1 47  PHE n 
1 48  SER n 
1 49  ASN n 
1 50  TYR n 
1 51  PRO n 
1 52  MET n 
1 53  VAL n 
1 54  LEU n 
1 55  GLY n 
1 56  ALA n 
1 57  GLN n 
1 58  ARG n 
1 59  PHE n 
1 60  SER n 
1 61  SER n 
1 62  GLY n 
1 63  LYS n 
1 64  MET n 
1 65  TYR n 
1 66  TRP n 
1 67  GLU n 
1 68  VAL n 
1 69  ASP n 
1 70  VAL n 
1 71  THR n 
1 72  GLN n 
1 73  LYS n 
1 74  GLU n 
1 75  ALA n 
1 76  TRP n 
1 77  ASP n 
1 78  LEU n 
1 79  GLY n 
1 80  VAL n 
1 81  CYS n 
1 82  ARG n 
1 83  ASP n 
1 84  SER n 
1 85  VAL n 
1 86  GLN n 
1 87  ARG n 
1 88  LYS n 
1 89  GLY n 
1 90  GLN n 
1 91  PHE n 
1 92  SER n 
1 93  LEU n 
1 94  SER n 
1 95  PRO n 
1 96  GLU n 
1 97  ASN n 
1 98  GLY n 
1 99  PHE n 
1 100 TRP n 
1 101 THR n 
1 102 ILE n 
1 103 TRP n 
1 104 LEU n 
1 105 TRP n 
1 106 GLN n 
1 107 ASP n 
1 108 SER n 
1 109 TYR n 
1 110 GLU n 
1 111 ALA n 
1 112 GLY n 
1 113 THR n 
1 114 SER n 
1 115 PRO n 
1 116 GLN n 
1 117 THR n 
1 118 THR n 
1 119 LEU n 
1 120 HIS n 
1 121 ILE n 
1 122 GLN n 
1 123 VAL n 
1 124 PRO n 
1 125 PRO n 
1 126 CYS n 
1 127 GLN n 
1 128 ILE n 
1 129 GLY n 
1 130 ILE n 
1 131 PHE n 
1 132 VAL n 
1 133 ASP n 
1 134 TYR n 
1 135 GLU n 
1 136 ALA n 
1 137 GLY n 
1 138 VAL n 
1 139 VAL n 
1 140 SER n 
1 141 PHE n 
1 142 TYR n 
1 143 ASN n 
1 144 ILE n 
1 145 THR n 
1 146 ASP n 
1 147 HIS n 
1 148 GLY n 
1 149 SER n 
1 150 LEU n 
1 151 ILE n 
1 152 TYR n 
1 153 THR n 
1 154 PHE n 
1 155 SER n 
1 156 GLU n 
1 157 CYS n 
1 158 VAL n 
1 159 PHE n 
1 160 ALA n 
1 161 GLY n 
1 162 PRO n 
1 163 LEU n 
1 164 ARG n 
1 165 PRO n 
1 166 PHE n 
1 167 PHE n 
1 168 ASN n 
1 169 VAL n 
1 170 GLY n 
1 171 PHE n 
1 172 ASN n 
1 173 TYR n 
1 174 SER n 
1 175 GLY n 
1 176 GLY n 
1 177 ASN n 
1 178 ALA n 
1 179 ALA n 
1 180 PRO n 
1 181 LEU n 
1 182 LYS n 
1 183 LEU n 
1 184 CYS n 
1 185 PRO n 
1 186 LEU n 
1 187 LYS n 
1 188 MET n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   188 
_entity_src_gen.gene_src_common_name               'house mouse' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'Trim21, Ro52, Ssa1' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Mus musculus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     10090 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE                                    ?                 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE                                   ?                 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE                                 ?                 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'                            ?                 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE                                   ?                 'C3 H7 N O2 S'   121.158 
EDO non-polymer         . 1,2-ETHANEDIOL                             'ETHYLENE GLYCOL' 'C2 H6 O2'       62.068  
GLN 'L-peptide linking' y GLUTAMINE                                  ?                 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'                            ?                 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE                                    ?                 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE                                  ?                 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER                                      ?                 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE                                 ?                 'C6 H13 N O2'    131.173 
JFP non-polymer         . 'N-(4-methyl-1,3-thiazol-2-yl)propanamide' ?                 'C7 H10 N2 O S'  170.232 
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        JFP 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   JFP 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 EDO 1   201 202 EDO EDO B . 
C 3 JFP 1   202 302 JFP LIG B . 
D 2 EDO 1   203 305 EDO EDO B . 
E 4 SO4 1   204 1   SO4 SO4 B . 
F 5 HOH 1   301 11  HOH HOH B . 
F 5 HOH 2   302 33  HOH HOH B . 
F 5 HOH 3   303 2   HOH HOH B . 
F 5 HOH 4   304 21  HOH HOH B . 
F 5 HOH 5   305 40  HOH HOH B . 
F 5 HOH 6   306 4   HOH HOH B . 
F 5 HOH 7   307 99  HOH HOH B . 
F 5 HOH 8   308 12  HOH HOH B . 
F 5 HOH 9   309 1   HOH HOH B . 
F 5 HOH 10  310 26  HOH HOH B . 
F 5 HOH 11  311 63  HOH HOH B . 
F 5 HOH 12  312 16  HOH HOH B . 
F 5 HOH 13  313 27  HOH HOH B . 
F 5 HOH 14  314 9   HOH HOH B . 
F 5 HOH 15  315 5   HOH HOH B . 
F 5 HOH 16  316 51  HOH HOH B . 
F 5 HOH 17  317 29  HOH HOH B . 
F 5 HOH 18  318 25  HOH HOH B . 
F 5 HOH 19  319 90  HOH HOH B . 
F 5 HOH 20  320 10  HOH HOH B . 
F 5 HOH 21  321 116 HOH HOH B . 
F 5 HOH 22  322 184 HOH HOH B . 
F 5 HOH 23  323 31  HOH HOH B . 
F 5 HOH 24  324 34  HOH HOH B . 
F 5 HOH 25  325 107 HOH HOH B . 
F 5 HOH 26  326 102 HOH HOH B . 
F 5 HOH 27  327 129 HOH HOH B . 
F 5 HOH 28  328 16  HOH HOH B . 
F 5 HOH 29  329 100 HOH HOH B . 
F 5 HOH 30  330 70  HOH HOH B . 
F 5 HOH 31  331 19  HOH HOH B . 
F 5 HOH 32  332 11  HOH HOH B . 
F 5 HOH 33  333 62  HOH HOH B . 
F 5 HOH 34  334 39  HOH HOH B . 
F 5 HOH 35  335 211 HOH HOH B . 
F 5 HOH 36  336 68  HOH HOH B . 
F 5 HOH 37  337 18  HOH HOH B . 
F 5 HOH 38  338 66  HOH HOH B . 
F 5 HOH 39  339 7   HOH HOH B . 
F 5 HOH 40  340 2   HOH HOH B . 
F 5 HOH 41  341 80  HOH HOH B . 
F 5 HOH 42  342 20  HOH HOH B . 
F 5 HOH 43  343 126 HOH HOH B . 
F 5 HOH 44  344 29  HOH HOH B . 
F 5 HOH 45  345 58  HOH HOH B . 
F 5 HOH 46  346 72  HOH HOH B . 
F 5 HOH 47  347 27  HOH HOH B . 
F 5 HOH 48  348 22  HOH HOH B . 
F 5 HOH 49  349 112 HOH HOH B . 
F 5 HOH 50  350 36  HOH HOH B . 
F 5 HOH 51  351 85  HOH HOH B . 
F 5 HOH 52  352 86  HOH HOH B . 
F 5 HOH 53  353 55  HOH HOH B . 
F 5 HOH 54  354 89  HOH HOH B . 
F 5 HOH 55  355 26  HOH HOH B . 
F 5 HOH 56  356 93  HOH HOH B . 
F 5 HOH 57  357 267 HOH HOH B . 
F 5 HOH 58  358 81  HOH HOH B . 
F 5 HOH 59  359 281 HOH HOH B . 
F 5 HOH 60  360 50  HOH HOH B . 
F 5 HOH 61  361 157 HOH HOH B . 
F 5 HOH 62  362 15  HOH HOH B . 
F 5 HOH 63  363 47  HOH HOH B . 
F 5 HOH 64  364 137 HOH HOH B . 
F 5 HOH 65  365 6   HOH HOH B . 
F 5 HOH 66  366 10  HOH HOH B . 
F 5 HOH 67  367 61  HOH HOH B . 
F 5 HOH 68  368 64  HOH HOH B . 
F 5 HOH 69  369 76  HOH HOH B . 
F 5 HOH 70  370 28  HOH HOH B . 
F 5 HOH 71  371 1   HOH HOH B . 
F 5 HOH 72  372 3   HOH HOH B . 
F 5 HOH 73  373 4   HOH HOH B . 
F 5 HOH 74  374 264 HOH HOH B . 
F 5 HOH 75  375 43  HOH HOH B . 
F 5 HOH 76  376 59  HOH HOH B . 
F 5 HOH 77  377 13  HOH HOH B . 
F 5 HOH 78  378 32  HOH HOH B . 
F 5 HOH 79  379 304 HOH HOH B . 
F 5 HOH 80  380 156 HOH HOH B . 
F 5 HOH 81  381 71  HOH HOH B . 
F 5 HOH 82  382 14  HOH HOH B . 
F 5 HOH 83  383 32  HOH HOH B . 
F 5 HOH 84  384 8   HOH HOH B . 
F 5 HOH 85  385 3   HOH HOH B . 
F 5 HOH 86  386 172 HOH HOH B . 
F 5 HOH 87  387 33  HOH HOH B . 
F 5 HOH 88  388 25  HOH HOH B . 
F 5 HOH 89  389 97  HOH HOH B . 
F 5 HOH 90  390 214 HOH HOH B . 
F 5 HOH 91  391 24  HOH HOH B . 
F 5 HOH 92  392 17  HOH HOH B . 
F 5 HOH 93  393 23  HOH HOH B . 
F 5 HOH 94  394 125 HOH HOH B . 
F 5 HOH 95  395 48  HOH HOH B . 
F 5 HOH 96  396 303 HOH HOH B . 
F 5 HOH 97  397 46  HOH HOH B . 
F 5 HOH 98  398 20  HOH HOH B . 
F 5 HOH 99  399 45  HOH HOH B . 
F 5 HOH 100 400 30  HOH HOH B . 
F 5 HOH 101 401 60  HOH HOH B . 
F 5 HOH 102 402 49  HOH HOH B . 
F 5 HOH 103 403 42  HOH HOH B . 
F 5 HOH 104 404 154 HOH HOH B . 
F 5 HOH 105 405 8   HOH HOH B . 
F 5 HOH 106 406 56  HOH HOH B . 
F 5 HOH 107 407 18  HOH HOH B . 
F 5 HOH 108 408 54  HOH HOH B . 
F 5 HOH 109 409 7   HOH HOH B . 
F 5 HOH 110 410 15  HOH HOH B . 
F 5 HOH 111 411 57  HOH HOH B . 
F 5 HOH 112 412 263 HOH HOH B . 
F 5 HOH 113 413 120 HOH HOH B . 
F 5 HOH 114 414 103 HOH HOH B . 
F 5 HOH 115 415 38  HOH HOH B . 
F 5 HOH 116 416 257 HOH HOH B . 
F 5 HOH 117 417 41  HOH HOH B . 
F 5 HOH 118 418 22  HOH HOH B . 
F 5 HOH 119 419 53  HOH HOH B . 
F 5 HOH 120 420 140 HOH HOH B . 
F 5 HOH 121 421 69  HOH HOH B . 
F 5 HOH 122 422 5   HOH HOH B . 
F 5 HOH 123 423 82  HOH HOH B . 
F 5 HOH 124 424 44  HOH HOH B . 
F 5 HOH 125 425 19  HOH HOH B . 
F 5 HOH 126 426 197 HOH HOH B . 
F 5 HOH 127 427 30  HOH HOH B . 
F 5 HOH 128 428 266 HOH HOH B . 
F 5 HOH 129 429 114 HOH HOH B . 
F 5 HOH 130 430 133 HOH HOH B . 
F 5 HOH 131 431 115 HOH HOH B . 
F 5 HOH 132 432 23  HOH HOH B . 
F 5 HOH 133 433 21  HOH HOH B . 
F 5 HOH 134 434 98  HOH HOH B . 
F 5 HOH 135 435 104 HOH HOH B . 
F 5 HOH 136 436 127 HOH HOH B . 
F 5 HOH 137 437 205 HOH HOH B . 
F 5 HOH 138 438 14  HOH HOH B . 
F 5 HOH 139 439 131 HOH HOH B . 
F 5 HOH 140 440 259 HOH HOH B . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 B LEU 192 ? CG  ? A LEU 186 CG  
2 1 Y 1 B LEU 192 ? CD1 ? A LEU 186 CD1 
3 1 Y 1 B LEU 192 ? CD2 ? A LEU 186 CD2 
# 
loop_
_software.pdbx_ordinal 
_software.name 
_software.version 
_software.date 
_software.type 
_software.contact_author 
_software.contact_author_email 
_software.classification 
_software.location 
_software.language 
_software.citation_id 
1 REFMAC      5.8.0267 ?               program 'Garib N. Murshudov' garib@ysbl.york.ac.uk    refinement        
http://www.ccp4.ac.uk/dist/html/refmac5.html        Fortran_77 ? 
2 Aimless     0.7.7    23/04/21        program 'Phil Evans'         ?                        'data scaling'    
http://www.mrc-lmb.cam.ac.uk/harry/pre/aimless.html ?          ? 
3 PDB_EXTRACT 3.23     'SEP. 23, 2016' package PDB                  deposit@deposit.rcsb.org 'data extraction' 
http://sw-tools.pdb.org/apps/PDB_EXTRACT/           C++        ? 
4 XDS         .        ?               program ?                    ?                        'data reduction'  ? ?          ? 
5 REFMAC      .        ?               program ?                    ?                        phasing           ? ?          ? 
# 
_cell.entry_id           7HO7 
_cell.length_a           95.400 
_cell.length_b           95.400 
_cell.length_c           45.739 
_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                         7HO7 
_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          7HO7 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.41 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   48.95 
_exptl_crystal.size_max              ? 
_exptl_crystal.size_mid              ? 
_exptl_crystal.size_min              ? 
_exptl_crystal.size_rad              ? 
_exptl_crystal.description           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.pH              8 
_exptl_crystal_grow.temp            293 
_exptl_crystal_grow.pdbx_details    '4 % PEG 400, 2 M AmmSO4, 0.1 M HEPES pH 8' 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           100 
_diffrn.crystal_id             1 
_diffrn.ambient_temp_details   ? 
# 
_diffrn_detector.detector               PIXEL 
_diffrn_detector.type                   'DECTRIS EIGER2 XE 9M' 
_diffrn_detector.pdbx_collection_date   2024-07-04 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.92134 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'DIAMOND BEAMLINE I04-1' 
_diffrn_source.pdbx_wavelength_list        0.92134 
_diffrn_source.pdbx_synchrotron_site       Diamond 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HO7 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             67.450 
_reflns.d_resolution_high            1.300 
_reflns.number_obs                   49717 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         98.200 
_reflns.pdbx_Rmerge_I_obs            0.063 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        19.200 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              11.300 
_reflns.pdbx_Rrim_I_all              0.066 
_reflns.pdbx_Rpim_I_all              0.019 
_reflns.pdbx_CC_half                 0.999 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     560400 
_reflns.pdbx_scaling_rejects         0 
_reflns.pdbx_chi_squared             ? 
_reflns.Rmerge_F_all                 ? 
_reflns.Rmerge_F_obs                 ? 
_reflns.observed_criterion_F_max     ? 
_reflns.observed_criterion_F_min     ? 
_reflns.observed_criterion_I_max     ? 
_reflns.observed_criterion_I_min     ? 
_reflns.pdbx_d_res_high_opt          ? 
_reflns.pdbx_d_res_low_opt           ? 
_reflns.details                      ? 
# 
loop_
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_ordinal 
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.number_measured_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_unique_obs 
_reflns_shell.pdbx_rejects 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_redundancy 
_reflns_shell.percent_possible_obs 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.Rmerge_I_all 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.percent_possible_all 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_CC_half 
1 1 1.300 1.320  ? 9205 2065 ? 1.240 ? ? ? 4.500  ? 0.500   ? ? ? ? ? ? 83.300 1.419 0.663 0.328 
1 2 7.120 67.450 ? 4150 341  ? 0.031 ? ? ? 12.200 ? 112.700 ? ? ? ? ? ? 99.900 0.033 0.010 0.997 
# 
_refine.entry_id                                 7HO7 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.3000 
_refine.ls_d_res_low                             67.4600 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    97.8300 
_refine.ls_number_reflns_obs                     47186 
_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                          0.1851 
_refine.ls_R_factor_R_work                       0.1841 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.2044 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.8000 
_refine.ls_number_reflns_R_free                  2394 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               18.0920 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            -0.0300 
_refine.aniso_B[2][2]                            -0.0300 
_refine.aniso_B[3][3]                            0.0600 
_refine.aniso_B[1][2]                            -0.0000 
_refine.aniso_B[1][3]                            0.0000 
_refine.aniso_B[2][3]                            0.0000 
_refine.correlation_coeff_Fo_to_Fc               0.9690 
_refine.correlation_coeff_Fo_to_Fc_free          0.9620 
_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                       0.0540 
_refine.pdbx_overall_ESU_R_Free                  0.0550 
_refine.overall_SU_ML                            0.0450 
_refine.overall_SU_B                             1.1750 
_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                                80.750 
_refine.B_iso_min                                10.120 
_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                       1.3000 
_refine_hist.d_res_low                        67.4600 
_refine_hist.pdbx_number_atoms_ligand         24 
_refine_hist.number_atoms_solvent             140 
_refine_hist.number_atoms_total               1657 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           36.17 
_refine_hist.pdbx_B_iso_mean_solvent          29.23 
_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       1982 0.012  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1600 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2494 1.790  1.635  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3691 1.450  1.579  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 235  7.179  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 109  27.585 21.009 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 285  11.686 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   21.860 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         217  0.089  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2236 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     490  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            952  1.516  1.636  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         942  1.486  1.620  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1129 2.323  2.441  ? ? 
# 
_refine_ls_shell.d_res_high                       1.3000 
_refine_ls_shell.d_res_low                        1.3340 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               80.5900 
_refine_ls_shell.number_reflns_R_work             2863 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3620 
_refine_ls_shell.R_factor_R_free                  0.3610 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             152 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                3015 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HO7 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z30820160' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HO7 
_struct_keywords.text            'SGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, TRIM21, LIGASE' 
_struct_keywords.pdbx_keywords   LIGASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 2 ? 
E N N 4 ? 
F N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    RO52_MOUSE 
_struct_ref.pdbx_db_accession          Q62191 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;VHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGVCRDSVQRK
GQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFAGPLRPFFN
VGFNYSGGNAAPLKLCPLKM
;
_struct_ref.pdbx_align_begin           291 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              7HO7 
_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 7HO7 MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HO7 HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HO7 HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HO7 HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HO7 HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HO7 HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HO7 HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HO7 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       -2.30 
# 
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                   7HO7 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             CG 
_pdbx_validate_rmsd_angle.auth_asym_id_1             B 
_pdbx_validate_rmsd_angle.auth_comp_id_1             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_1              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CD 
_pdbx_validate_rmsd_angle.auth_asym_id_2             B 
_pdbx_validate_rmsd_angle.auth_comp_id_2             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_2              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             NE 
_pdbx_validate_rmsd_angle.auth_asym_id_3             B 
_pdbx_validate_rmsd_angle.auth_comp_id_3             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_3              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                127.11 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            15.31 
_pdbx_validate_rmsd_angle.angle_standard_deviation   2.10 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASN B 45  ? ? 72.61   33.53 
2 1 ASP B 152 ? ? -102.07 51.11 
# 
_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     429 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   F 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
_phasing.method   MR 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 B MET 7   ? A MET 1   
2 1 Y 1 B LYS 193 ? A LYS 187 
3 1 Y 1 B MET 194 ? A MET 188 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
EDO C1   C N N 88  
EDO O1   O N N 89  
EDO C2   C N N 90  
EDO O2   O N N 91  
EDO H11  H N N 92  
EDO H12  H N N 93  
EDO HO1  H N N 94  
EDO H21  H N N 95  
EDO H22  H N N 96  
EDO HO2  H N N 97  
GLN N    N N N 98  
GLN CA   C N S 99  
GLN C    C N N 100 
GLN O    O N N 101 
GLN CB   C N N 102 
GLN CG   C N N 103 
GLN CD   C N N 104 
GLN OE1  O N N 105 
GLN NE2  N N N 106 
GLN OXT  O N N 107 
GLN H    H N N 108 
GLN H2   H N N 109 
GLN HA   H N N 110 
GLN HB2  H N N 111 
GLN HB3  H N N 112 
GLN HG2  H N N 113 
GLN HG3  H N N 114 
GLN HE21 H N N 115 
GLN HE22 H N N 116 
GLN HXT  H N N 117 
GLU N    N N N 118 
GLU CA   C N S 119 
GLU C    C N N 120 
GLU O    O N N 121 
GLU CB   C N N 122 
GLU CG   C N N 123 
GLU CD   C N N 124 
GLU OE1  O N N 125 
GLU OE2  O N N 126 
GLU OXT  O N N 127 
GLU H    H N N 128 
GLU H2   H N N 129 
GLU HA   H N N 130 
GLU HB2  H N N 131 
GLU HB3  H N N 132 
GLU HG2  H N N 133 
GLU HG3  H N N 134 
GLU HE2  H N N 135 
GLU HXT  H N N 136 
GLY N    N N N 137 
GLY CA   C N N 138 
GLY C    C N N 139 
GLY O    O N N 140 
GLY OXT  O N N 141 
GLY H    H N N 142 
GLY H2   H N N 143 
GLY HA2  H N N 144 
GLY HA3  H N N 145 
GLY HXT  H N N 146 
HIS N    N N N 147 
HIS CA   C N S 148 
HIS C    C N N 149 
HIS O    O N N 150 
HIS CB   C N N 151 
HIS CG   C Y N 152 
HIS ND1  N Y N 153 
HIS CD2  C Y N 154 
HIS CE1  C Y N 155 
HIS NE2  N Y N 156 
HIS OXT  O N N 157 
HIS H    H N N 158 
HIS H2   H N N 159 
HIS HA   H N N 160 
HIS HB2  H N N 161 
HIS HB3  H N N 162 
HIS HD1  H N N 163 
HIS HD2  H N N 164 
HIS HE1  H N N 165 
HIS HE2  H N N 166 
HIS HXT  H N N 167 
HOH O    O N N 168 
HOH H1   H N N 169 
HOH H2   H N N 170 
ILE N    N N N 171 
ILE CA   C N S 172 
ILE C    C N N 173 
ILE O    O N N 174 
ILE CB   C N S 175 
ILE CG1  C N N 176 
ILE CG2  C N N 177 
ILE CD1  C N N 178 
ILE OXT  O N N 179 
ILE H    H N N 180 
ILE H2   H N N 181 
ILE HA   H N N 182 
ILE HB   H N N 183 
ILE HG12 H N N 184 
ILE HG13 H N N 185 
ILE HG21 H N N 186 
ILE HG22 H N N 187 
ILE HG23 H N N 188 
ILE HD11 H N N 189 
ILE HD12 H N N 190 
ILE HD13 H N N 191 
ILE HXT  H N N 192 
JFP C01  C N N 193 
JFP C02  C N N 194 
JFP C03  C N N 195 
JFP O04  O N N 196 
JFP N05  N N N 197 
JFP C06  C Y N 198 
JFP N07  N Y N 199 
JFP C08  C Y N 200 
JFP C09  C Y N 201 
JFP S10  S Y N 202 
JFP C11  C N N 203 
JFP H011 H N N 204 
JFP H012 H N N 205 
JFP H013 H N N 206 
JFP H022 H N N 207 
JFP H021 H N N 208 
JFP H051 H N N 209 
JFP H091 H N N 210 
JFP H111 H N N 211 
JFP H112 H N N 212 
JFP H113 H N N 213 
LEU N    N N N 214 
LEU CA   C N S 215 
LEU C    C N N 216 
LEU O    O N N 217 
LEU CB   C N N 218 
LEU CG   C N N 219 
LEU CD1  C N N 220 
LEU CD2  C N N 221 
LEU OXT  O N N 222 
LEU H    H N N 223 
LEU H2   H N N 224 
LEU HA   H N N 225 
LEU HB2  H N N 226 
LEU HB3  H N N 227 
LEU HG   H N N 228 
LEU HD11 H N N 229 
LEU HD12 H N N 230 
LEU HD13 H N N 231 
LEU HD21 H N N 232 
LEU HD22 H N N 233 
LEU HD23 H N N 234 
LEU HXT  H N N 235 
LYS N    N N N 236 
LYS CA   C N S 237 
LYS C    C N N 238 
LYS O    O N N 239 
LYS CB   C N N 240 
LYS CG   C N N 241 
LYS CD   C N N 242 
LYS CE   C N N 243 
LYS NZ   N N N 244 
LYS OXT  O N N 245 
LYS H    H N N 246 
LYS H2   H N N 247 
LYS HA   H N N 248 
LYS HB2  H N N 249 
LYS HB3  H N N 250 
LYS HG2  H N N 251 
LYS HG3  H N N 252 
LYS HD2  H N N 253 
LYS HD3  H N N 254 
LYS HE2  H N N 255 
LYS HE3  H N N 256 
LYS HZ1  H N N 257 
LYS HZ2  H N N 258 
LYS HZ3  H N N 259 
LYS HXT  H N N 260 
MET N    N N N 261 
MET CA   C N S 262 
MET C    C N N 263 
MET O    O N N 264 
MET CB   C N N 265 
MET CG   C N N 266 
MET SD   S N N 267 
MET CE   C N N 268 
MET OXT  O N N 269 
MET H    H N N 270 
MET H2   H N N 271 
MET HA   H N N 272 
MET HB2  H N N 273 
MET HB3  H N N 274 
MET HG2  H N N 275 
MET HG3  H N N 276 
MET HE1  H N N 277 
MET HE2  H N N 278 
MET HE3  H N N 279 
MET HXT  H N N 280 
PHE N    N N N 281 
PHE CA   C N S 282 
PHE C    C N N 283 
PHE O    O N N 284 
PHE CB   C N N 285 
PHE CG   C Y N 286 
PHE CD1  C Y N 287 
PHE CD2  C Y N 288 
PHE CE1  C Y N 289 
PHE CE2  C Y N 290 
PHE CZ   C Y N 291 
PHE OXT  O N N 292 
PHE H    H N N 293 
PHE H2   H N N 294 
PHE HA   H N N 295 
PHE HB2  H N N 296 
PHE HB3  H N N 297 
PHE HD1  H N N 298 
PHE HD2  H N N 299 
PHE HE1  H N N 300 
PHE HE2  H N N 301 
PHE HZ   H N N 302 
PHE HXT  H N N 303 
PRO N    N N N 304 
PRO CA   C N S 305 
PRO C    C N N 306 
PRO O    O N N 307 
PRO CB   C N N 308 
PRO CG   C N N 309 
PRO CD   C N N 310 
PRO OXT  O N N 311 
PRO H    H N N 312 
PRO HA   H N N 313 
PRO HB2  H N N 314 
PRO HB3  H N N 315 
PRO HG2  H N N 316 
PRO HG3  H N N 317 
PRO HD2  H N N 318 
PRO HD3  H N N 319 
PRO HXT  H N N 320 
SER N    N N N 321 
SER CA   C N S 322 
SER C    C N N 323 
SER O    O N N 324 
SER CB   C N N 325 
SER OG   O N N 326 
SER OXT  O N N 327 
SER H    H N N 328 
SER H2   H N N 329 
SER HA   H N N 330 
SER HB2  H N N 331 
SER HB3  H N N 332 
SER HG   H N N 333 
SER HXT  H N N 334 
SO4 S    S N N 335 
SO4 O1   O N N 336 
SO4 O2   O N N 337 
SO4 O3   O N N 338 
SO4 O4   O N N 339 
THR N    N N N 340 
THR CA   C N S 341 
THR C    C N N 342 
THR O    O N N 343 
THR CB   C N R 344 
THR OG1  O N N 345 
THR CG2  C N N 346 
THR OXT  O N N 347 
THR H    H N N 348 
THR H2   H N N 349 
THR HA   H N N 350 
THR HB   H N N 351 
THR HG1  H N N 352 
THR HG21 H N N 353 
THR HG22 H N N 354 
THR HG23 H N N 355 
THR HXT  H N N 356 
TRP N    N N N 357 
TRP CA   C N S 358 
TRP C    C N N 359 
TRP O    O N N 360 
TRP CB   C N N 361 
TRP CG   C Y N 362 
TRP CD1  C Y N 363 
TRP CD2  C Y N 364 
TRP NE1  N Y N 365 
TRP CE2  C Y N 366 
TRP CE3  C Y N 367 
TRP CZ2  C Y N 368 
TRP CZ3  C Y N 369 
TRP CH2  C Y N 370 
TRP OXT  O N N 371 
TRP H    H N N 372 
TRP H2   H N N 373 
TRP HA   H N N 374 
TRP HB2  H N N 375 
TRP HB3  H N N 376 
TRP HD1  H N N 377 
TRP HE1  H N N 378 
TRP HE3  H N N 379 
TRP HZ2  H N N 380 
TRP HZ3  H N N 381 
TRP HH2  H N N 382 
TRP HXT  H N N 383 
TYR N    N N N 384 
TYR CA   C N S 385 
TYR C    C N N 386 
TYR O    O N N 387 
TYR CB   C N N 388 
TYR CG   C Y N 389 
TYR CD1  C Y N 390 
TYR CD2  C Y N 391 
TYR CE1  C Y N 392 
TYR CE2  C Y N 393 
TYR CZ   C Y N 394 
TYR OH   O N N 395 
TYR OXT  O N N 396 
TYR H    H N N 397 
TYR H2   H N N 398 
TYR HA   H N N 399 
TYR HB2  H N N 400 
TYR HB3  H N N 401 
TYR HD1  H N N 402 
TYR HD2  H N N 403 
TYR HE1  H N N 404 
TYR HE2  H N N 405 
TYR HH   H N N 406 
TYR HXT  H N N 407 
VAL N    N N N 408 
VAL CA   C N S 409 
VAL C    C N N 410 
VAL O    O N N 411 
VAL CB   C N N 412 
VAL CG1  C N N 413 
VAL CG2  C N N 414 
VAL OXT  O N N 415 
VAL H    H N N 416 
VAL H2   H N N 417 
VAL HA   H N N 418 
VAL HB   H N N 419 
VAL HG11 H N N 420 
VAL HG12 H N N 421 
VAL HG13 H N N 422 
VAL HG21 H N N 423 
VAL HG22 H N N 424 
VAL HG23 H N N 425 
VAL HXT  H N N 426 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
EDO C1  O1   sing N N 83  
EDO C1  C2   sing N N 84  
EDO C1  H11  sing N N 85  
EDO C1  H12  sing N N 86  
EDO O1  HO1  sing N N 87  
EDO C2  O2   sing N N 88  
EDO C2  H21  sing N N 89  
EDO C2  H22  sing N N 90  
EDO O2  HO2  sing N N 91  
GLN N   CA   sing N N 92  
GLN N   H    sing N N 93  
GLN N   H2   sing N N 94  
GLN CA  C    sing N N 95  
GLN CA  CB   sing N N 96  
GLN CA  HA   sing N N 97  
GLN C   O    doub N N 98  
GLN C   OXT  sing N N 99  
GLN CB  CG   sing N N 100 
GLN CB  HB2  sing N N 101 
GLN CB  HB3  sing N N 102 
GLN CG  CD   sing N N 103 
GLN CG  HG2  sing N N 104 
GLN CG  HG3  sing N N 105 
GLN CD  OE1  doub N N 106 
GLN CD  NE2  sing N N 107 
GLN NE2 HE21 sing N N 108 
GLN NE2 HE22 sing N N 109 
GLN OXT HXT  sing N N 110 
GLU N   CA   sing N N 111 
GLU N   H    sing N N 112 
GLU N   H2   sing N N 113 
GLU CA  C    sing N N 114 
GLU CA  CB   sing N N 115 
GLU CA  HA   sing N N 116 
GLU C   O    doub N N 117 
GLU C   OXT  sing N N 118 
GLU CB  CG   sing N N 119 
GLU CB  HB2  sing N N 120 
GLU CB  HB3  sing N N 121 
GLU CG  CD   sing N N 122 
GLU CG  HG2  sing N N 123 
GLU CG  HG3  sing N N 124 
GLU CD  OE1  doub N N 125 
GLU CD  OE2  sing N N 126 
GLU OE2 HE2  sing N N 127 
GLU OXT HXT  sing N N 128 
GLY N   CA   sing N N 129 
GLY N   H    sing N N 130 
GLY N   H2   sing N N 131 
GLY CA  C    sing N N 132 
GLY CA  HA2  sing N N 133 
GLY CA  HA3  sing N N 134 
GLY C   O    doub N N 135 
GLY C   OXT  sing N N 136 
GLY OXT HXT  sing N N 137 
HIS N   CA   sing N N 138 
HIS N   H    sing N N 139 
HIS N   H2   sing N N 140 
HIS CA  C    sing N N 141 
HIS CA  CB   sing N N 142 
HIS CA  HA   sing N N 143 
HIS C   O    doub N N 144 
HIS C   OXT  sing N N 145 
HIS CB  CG   sing N N 146 
HIS CB  HB2  sing N N 147 
HIS CB  HB3  sing N N 148 
HIS CG  ND1  sing Y N 149 
HIS CG  CD2  doub Y N 150 
HIS ND1 CE1  doub Y N 151 
HIS ND1 HD1  sing N N 152 
HIS CD2 NE2  sing Y N 153 
HIS CD2 HD2  sing N N 154 
HIS CE1 NE2  sing Y N 155 
HIS CE1 HE1  sing N N 156 
HIS NE2 HE2  sing N N 157 
HIS OXT HXT  sing N N 158 
HOH O   H1   sing N N 159 
HOH O   H2   sing N N 160 
ILE N   CA   sing N N 161 
ILE N   H    sing N N 162 
ILE N   H2   sing N N 163 
ILE CA  C    sing N N 164 
ILE CA  CB   sing N N 165 
ILE CA  HA   sing N N 166 
ILE C   O    doub N N 167 
ILE C   OXT  sing N N 168 
ILE CB  CG1  sing N N 169 
ILE CB  CG2  sing N N 170 
ILE CB  HB   sing N N 171 
ILE CG1 CD1  sing N N 172 
ILE CG1 HG12 sing N N 173 
ILE CG1 HG13 sing N N 174 
ILE CG2 HG21 sing N N 175 
ILE CG2 HG22 sing N N 176 
ILE CG2 HG23 sing N N 177 
ILE CD1 HD11 sing N N 178 
ILE CD1 HD12 sing N N 179 
ILE CD1 HD13 sing N N 180 
ILE OXT HXT  sing N N 181 
JFP C11 C08  sing N N 182 
JFP C08 C09  doub Y N 183 
JFP C08 N07  sing Y N 184 
JFP C09 S10  sing Y N 185 
JFP N07 C06  doub Y N 186 
JFP S10 C06  sing Y N 187 
JFP C06 N05  sing N N 188 
JFP N05 C03  sing N N 189 
JFP C03 C02  sing N N 190 
JFP C03 O04  doub N N 191 
JFP C02 C01  sing N N 192 
JFP C01 H011 sing N N 193 
JFP C01 H012 sing N N 194 
JFP C01 H013 sing N N 195 
JFP C02 H022 sing N N 196 
JFP C02 H021 sing N N 197 
JFP N05 H051 sing N N 198 
JFP C09 H091 sing N N 199 
JFP C11 H111 sing N N 200 
JFP C11 H112 sing N N 201 
JFP C11 H113 sing N N 202 
LEU N   CA   sing N N 203 
LEU N   H    sing N N 204 
LEU N   H2   sing N N 205 
LEU CA  C    sing N N 206 
LEU CA  CB   sing N N 207 
LEU CA  HA   sing N N 208 
LEU C   O    doub N N 209 
LEU C   OXT  sing N N 210 
LEU CB  CG   sing N N 211 
LEU CB  HB2  sing N N 212 
LEU CB  HB3  sing N N 213 
LEU CG  CD1  sing N N 214 
LEU CG  CD2  sing N N 215 
LEU CG  HG   sing N N 216 
LEU CD1 HD11 sing N N 217 
LEU CD1 HD12 sing N N 218 
LEU CD1 HD13 sing N N 219 
LEU CD2 HD21 sing N N 220 
LEU CD2 HD22 sing N N 221 
LEU CD2 HD23 sing N N 222 
LEU OXT HXT  sing N N 223 
LYS N   CA   sing N N 224 
LYS N   H    sing N N 225 
LYS N   H2   sing N N 226 
LYS CA  C    sing N N 227 
LYS CA  CB   sing N N 228 
LYS CA  HA   sing N N 229 
LYS C   O    doub N N 230 
LYS C   OXT  sing N N 231 
LYS CB  CG   sing N N 232 
LYS CB  HB2  sing N N 233 
LYS CB  HB3  sing N N 234 
LYS CG  CD   sing N N 235 
LYS CG  HG2  sing N N 236 
LYS CG  HG3  sing N N 237 
LYS CD  CE   sing N N 238 
LYS CD  HD2  sing N N 239 
LYS CD  HD3  sing N N 240 
LYS CE  NZ   sing N N 241 
LYS CE  HE2  sing N N 242 
LYS CE  HE3  sing N N 243 
LYS NZ  HZ1  sing N N 244 
LYS NZ  HZ2  sing N N 245 
LYS NZ  HZ3  sing N N 246 
LYS OXT HXT  sing N N 247 
MET N   CA   sing N N 248 
MET N   H    sing N N 249 
MET N   H2   sing N N 250 
MET CA  C    sing N N 251 
MET CA  CB   sing N N 252 
MET CA  HA   sing N N 253 
MET C   O    doub N N 254 
MET C   OXT  sing N N 255 
MET CB  CG   sing N N 256 
MET CB  HB2  sing N N 257 
MET CB  HB3  sing N N 258 
MET CG  SD   sing N N 259 
MET CG  HG2  sing N N 260 
MET CG  HG3  sing N N 261 
MET SD  CE   sing N N 262 
MET CE  HE1  sing N N 263 
MET CE  HE2  sing N N 264 
MET CE  HE3  sing N N 265 
MET OXT HXT  sing N N 266 
PHE N   CA   sing N N 267 
PHE N   H    sing N N 268 
PHE N   H2   sing N N 269 
PHE CA  C    sing N N 270 
PHE CA  CB   sing N N 271 
PHE CA  HA   sing N N 272 
PHE C   O    doub N N 273 
PHE C   OXT  sing N N 274 
PHE CB  CG   sing N N 275 
PHE CB  HB2  sing N N 276 
PHE CB  HB3  sing N N 277 
PHE CG  CD1  doub Y N 278 
PHE CG  CD2  sing Y N 279 
PHE CD1 CE1  sing Y N 280 
PHE CD1 HD1  sing N N 281 
PHE CD2 CE2  doub Y N 282 
PHE CD2 HD2  sing N N 283 
PHE CE1 CZ   doub Y N 284 
PHE CE1 HE1  sing N N 285 
PHE CE2 CZ   sing Y N 286 
PHE CE2 HE2  sing N N 287 
PHE CZ  HZ   sing N N 288 
PHE OXT HXT  sing N N 289 
PRO N   CA   sing N N 290 
PRO N   CD   sing N N 291 
PRO N   H    sing N N 292 
PRO CA  C    sing N N 293 
PRO CA  CB   sing N N 294 
PRO CA  HA   sing N N 295 
PRO C   O    doub N N 296 
PRO C   OXT  sing N N 297 
PRO CB  CG   sing N N 298 
PRO CB  HB2  sing N N 299 
PRO CB  HB3  sing N N 300 
PRO CG  CD   sing N N 301 
PRO CG  HG2  sing N N 302 
PRO CG  HG3  sing N N 303 
PRO CD  HD2  sing N N 304 
PRO CD  HD3  sing N N 305 
PRO OXT HXT  sing N N 306 
SER N   CA   sing N N 307 
SER N   H    sing N N 308 
SER N   H2   sing N N 309 
SER CA  C    sing N N 310 
SER CA  CB   sing N N 311 
SER CA  HA   sing N N 312 
SER C   O    doub N N 313 
SER C   OXT  sing N N 314 
SER CB  OG   sing N N 315 
SER CB  HB2  sing N N 316 
SER CB  HB3  sing N N 317 
SER OG  HG   sing N N 318 
SER OXT HXT  sing N N 319 
SO4 S   O1   doub N N 320 
SO4 S   O2   doub N N 321 
SO4 S   O3   sing N N 322 
SO4 S   O4   sing N N 323 
THR N   CA   sing N N 324 
THR N   H    sing N N 325 
THR N   H2   sing N N 326 
THR CA  C    sing N N 327 
THR CA  CB   sing N N 328 
THR CA  HA   sing N N 329 
THR C   O    doub N N 330 
THR C   OXT  sing N N 331 
THR CB  OG1  sing N N 332 
THR CB  CG2  sing N N 333 
THR CB  HB   sing N N 334 
THR OG1 HG1  sing N N 335 
THR CG2 HG21 sing N N 336 
THR CG2 HG22 sing N N 337 
THR CG2 HG23 sing N N 338 
THR OXT HXT  sing N N 339 
TRP N   CA   sing N N 340 
TRP N   H    sing N N 341 
TRP N   H2   sing N N 342 
TRP CA  C    sing N N 343 
TRP CA  CB   sing N N 344 
TRP CA  HA   sing N N 345 
TRP C   O    doub N N 346 
TRP C   OXT  sing N N 347 
TRP CB  CG   sing N N 348 
TRP CB  HB2  sing N N 349 
TRP CB  HB3  sing N N 350 
TRP CG  CD1  doub Y N 351 
TRP CG  CD2  sing Y N 352 
TRP CD1 NE1  sing Y N 353 
TRP CD1 HD1  sing N N 354 
TRP CD2 CE2  doub Y N 355 
TRP CD2 CE3  sing Y N 356 
TRP NE1 CE2  sing Y N 357 
TRP NE1 HE1  sing N N 358 
TRP CE2 CZ2  sing Y N 359 
TRP CE3 CZ3  doub Y N 360 
TRP CE3 HE3  sing N N 361 
TRP CZ2 CH2  doub Y N 362 
TRP CZ2 HZ2  sing N N 363 
TRP CZ3 CH2  sing Y N 364 
TRP CZ3 HZ3  sing N N 365 
TRP CH2 HH2  sing N N 366 
TRP OXT HXT  sing N N 367 
TYR N   CA   sing N N 368 
TYR N   H    sing N N 369 
TYR N   H2   sing N N 370 
TYR CA  C    sing N N 371 
TYR CA  CB   sing N N 372 
TYR CA  HA   sing N N 373 
TYR C   O    doub N N 374 
TYR C   OXT  sing N N 375 
TYR CB  CG   sing N N 376 
TYR CB  HB2  sing N N 377 
TYR CB  HB3  sing N N 378 
TYR CG  CD1  doub Y N 379 
TYR CG  CD2  sing Y N 380 
TYR CD1 CE1  sing Y N 381 
TYR CD1 HD1  sing N N 382 
TYR CD2 CE2  doub Y N 383 
TYR CD2 HD2  sing N N 384 
TYR CE1 CZ   doub Y N 385 
TYR CE1 HE1  sing N N 386 
TYR CE2 CZ   sing Y N 387 
TYR CE2 HE2  sing N N 388 
TYR CZ  OH   sing N N 389 
TYR OH  HH   sing N N 390 
TYR OXT HXT  sing N N 391 
VAL N   CA   sing N N 392 
VAL N   H    sing N N 393 
VAL N   H2   sing N N 394 
VAL CA  C    sing N N 395 
VAL CA  CB   sing N N 396 
VAL CA  HA   sing N N 397 
VAL C   O    doub N N 398 
VAL C   OXT  sing N N 399 
VAL CB  CG1  sing N N 400 
VAL CB  CG2  sing N N 401 
VAL CB  HB   sing N N 402 
VAL CG1 HG11 sing N N 403 
VAL CG1 HG12 sing N N 404 
VAL CG1 HG13 sing N N 405 
VAL CG2 HG21 sing N N 406 
VAL CG2 HG22 sing N N 407 
VAL CG2 HG23 sing N N 408 
VAL OXT HXT  sing N N 409 
# 
_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                    7HO7 
_atom_sites.fract_transf_matrix[1][1]   0.010482 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   -0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.010482 
_atom_sites.fract_transf_matrix[2][3]   0.000000 
_atom_sites.fract_transf_matrix[3][1]   0.000000 
_atom_sites.fract_transf_matrix[3][2]   -0.000000 
_atom_sites.fract_transf_matrix[3][3]   0.021863 
_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   ? -13.242 -12.849 -9.889  1.00 68.96 ? 8   HIS B N   1 
ATOM   2    C CA  . HIS A 1 2   ? -12.753 -13.453 -11.176 1.00 62.54 ? 8   HIS B CA  1 
ATOM   3    C C   . HIS A 1 2   ? -11.651 -12.567 -11.773 1.00 60.95 ? 8   HIS B C   1 
ATOM   4    O O   . HIS A 1 2   ? -11.559 -11.374 -11.386 1.00 64.71 ? 8   HIS B O   1 
ATOM   5    C CB  . HIS A 1 2   ? -13.925 -13.682 -12.155 1.00 53.94 ? 8   HIS B CB  1 
ATOM   6    C CG  . HIS A 1 2   ? -14.514 -12.435 -12.736 1.00 49.61 ? 8   HIS B CG  1 
ATOM   7    N ND1 . HIS A 1 2   ? -13.955 -11.795 -13.827 1.00 49.34 ? 8   HIS B ND1 1 
ATOM   8    C CD2 . HIS A 1 2   ? -15.611 -11.717 -12.409 1.00 46.96 ? 8   HIS B CD2 1 
ATOM   9    C CE1 . HIS A 1 2   ? -14.663 -10.722 -14.123 1.00 47.60 ? 8   HIS B CE1 1 
ATOM   10   N NE2 . HIS A 1 2   ? -15.687 -10.648 -13.273 1.00 42.74 ? 8   HIS B NE2 1 
ATOM   11   N N   . HIS A 1 3   ? -10.876 -13.125 -12.706 1.00 55.87 ? 9   HIS B N   1 
ATOM   12   C CA  . HIS A 1 3   ? -9.780  -12.439 -13.443 1.00 57.94 ? 9   HIS B CA  1 
ATOM   13   C C   . HIS A 1 3   ? -9.963  -12.628 -14.961 1.00 49.57 ? 9   HIS B C   1 
ATOM   14   O O   . HIS A 1 3   ? -8.952  -12.885 -15.647 1.00 49.84 ? 9   HIS B O   1 
ATOM   15   C CB  . HIS A 1 3   ? -8.433  -12.926 -12.877 1.00 66.55 ? 9   HIS B CB  1 
ATOM   16   C CG  . HIS A 1 3   ? -8.301  -12.669 -11.407 1.00 75.14 ? 9   HIS B CG  1 
ATOM   17   N ND1 . HIS A 1 3   ? -8.204  -11.385 -10.880 1.00 76.84 ? 9   HIS B ND1 1 
ATOM   18   C CD2 . HIS A 1 3   ? -8.279  -13.510 -10.348 1.00 78.31 ? 9   HIS B CD2 1 
ATOM   19   C CE1 . HIS A 1 3   ? -8.116  -11.452 -9.567  1.00 76.49 ? 9   HIS B CE1 1 
ATOM   20   N NE2 . HIS A 1 3   ? -8.156  -12.746 -9.215  1.00 80.75 ? 9   HIS B NE2 1 
ATOM   21   N N   . HIS A 1 4   ? -11.205 -12.458 -15.459 1.00 42.98 ? 10  HIS B N   1 
ATOM   22   C CA  . HIS A 1 4   ? -11.647 -12.656 -16.875 1.00 36.31 ? 10  HIS B CA  1 
ATOM   23   C C   . HIS A 1 4   ? -11.641 -11.326 -17.642 1.00 34.96 ? 10  HIS B C   1 
ATOM   24   O O   . HIS A 1 4   ? -11.772 -11.351 -18.883 1.00 32.36 ? 10  HIS B O   1 
ATOM   25   C CB  . HIS A 1 4   ? -13.058 -13.280 -16.937 1.00 33.92 ? 10  HIS B CB  1 
ATOM   26   C CG  . HIS A 1 4   ? -13.146 -14.651 -16.356 1.00 33.83 ? 10  HIS B CG  1 
ATOM   27   N ND1 . HIS A 1 4   ? -12.207 -15.641 -16.638 1.00 32.13 ? 10  HIS B ND1 1 
ATOM   28   C CD2 . HIS A 1 4   ? -14.059 -15.215 -15.534 1.00 31.81 ? 10  HIS B CD2 1 
ATOM   29   C CE1 . HIS A 1 4   ? -12.541 -16.750 -16.006 1.00 39.37 ? 10  HIS B CE1 1 
ATOM   30   N NE2 . HIS A 1 4   ? -13.683 -16.519 -15.337 1.00 37.55 ? 10  HIS B NE2 1 
ATOM   31   N N   . HIS A 1 5   ? -11.472 -10.206 -16.929 1.00 36.39 ? 11  HIS B N   1 
ATOM   32   C CA  . HIS A 1 5   ? -11.563 -8.817  -17.461 1.00 38.11 ? 11  HIS B CA  1 
ATOM   33   C C   . HIS A 1 5   ? -10.673 -8.627  -18.697 1.00 36.72 ? 11  HIS B C   1 
ATOM   34   O O   . HIS A 1 5   ? -11.122 -7.902  -19.611 1.00 37.27 ? 11  HIS B O   1 
ATOM   35   C CB  . HIS A 1 5   ? -11.241 -7.772  -16.371 1.00 46.10 ? 11  HIS B CB  1 
ATOM   36   C CG  . HIS A 1 5   ? -12.080 -7.905  -15.143 1.00 53.55 ? 11  HIS B CG  1 
ATOM   37   N ND1 . HIS A 1 5   ? -11.697 -8.698  -14.063 1.00 63.46 ? 11  HIS B ND1 1 
ATOM   38   C CD2 . HIS A 1 5   ? -13.281 -7.373  -14.814 1.00 58.15 ? 11  HIS B CD2 1 
ATOM   39   C CE1 . HIS A 1 5   ? -12.626 -8.640  -13.121 1.00 64.08 ? 11  HIS B CE1 1 
ATOM   40   N NE2 . HIS A 1 5   ? -13.613 -7.837  -13.560 1.00 61.43 ? 11  HIS B NE2 1 
ATOM   41   N N   . HIS A 1 6   ? -9.500  -9.280  -18.770 1.00 34.98 ? 12  HIS B N   1 
ATOM   42   C CA  . HIS A 1 6   ? -8.526  -9.136  -19.891 1.00 34.36 ? 12  HIS B CA  1 
ATOM   43   C C   . HIS A 1 6   ? -9.021  -9.771  -21.203 1.00 33.25 ? 12  HIS B C   1 
ATOM   44   O O   . HIS A 1 6   ? -8.388  -9.534  -22.235 1.00 33.98 ? 12  HIS B O   1 
ATOM   45   C CB  . HIS A 1 6   ? -7.145  -9.688  -19.506 1.00 41.27 ? 12  HIS B CB  1 
ATOM   46   C CG  . HIS A 1 6   ? -7.116  -11.140 -19.173 1.00 43.25 ? 12  HIS B CG  1 
ATOM   47   N ND1 . HIS A 1 6   ? -6.565  -12.082 -20.029 1.00 51.59 ? 12  HIS B ND1 1 
ATOM   48   C CD2 . HIS A 1 6   ? -7.517  -11.815 -18.072 1.00 45.85 ? 12  HIS B CD2 1 
ATOM   49   C CE1 . HIS A 1 6   ? -6.647  -13.276 -19.481 1.00 44.72 ? 12  HIS B CE1 1 
ATOM   50   N NE2 . HIS A 1 6   ? -7.227  -13.144 -18.280 1.00 49.95 ? 12  HIS B NE2 1 
ATOM   51   N N   . HIS A 1 7   ? -10.095 -10.571 -21.194 1.00 27.40 ? 13  HIS B N   1 
ATOM   52   C CA  . HIS A 1 7   ? -10.741 -11.124 -22.420 1.00 23.45 ? 13  HIS B CA  1 
ATOM   53   C C   . HIS A 1 7   ? -11.852 -10.194 -22.891 1.00 21.22 ? 13  HIS B C   1 
ATOM   54   O O   . HIS A 1 7   ? -12.706 -10.654 -23.659 1.00 18.84 ? 13  HIS B O   1 
ATOM   55   C CB  . HIS A 1 7   ? -11.294 -12.512 -22.140 1.00 23.24 ? 13  HIS B CB  1 
ATOM   56   C CG  . HIS A 1 7   ? -10.227 -13.465 -21.701 1.00 23.90 ? 13  HIS B CG  1 
ATOM   57   N ND1 . HIS A 1 7   ? -9.192  -13.802 -22.556 1.00 24.27 ? 13  HIS B ND1 1 
ATOM   58   C CD2 . HIS A 1 7   ? -10.067 -14.169 -20.565 1.00 25.87 ? 13  HIS B CD2 1 
ATOM   59   C CE1 . HIS A 1 7   ? -8.403  -14.654 -21.929 1.00 24.03 ? 13  HIS B CE1 1 
ATOM   60   N NE2 . HIS A 1 7   ? -8.899  -14.901 -20.715 1.00 27.37 ? 13  HIS B NE2 1 
ATOM   61   N N   . MET A 1 8   ? -11.881 -8.965  -22.390 1.00 22.20 ? 14  MET B N   1 
ATOM   62   C CA  . MET A 1 8   ? -12.933 -7.966  -22.725 1.00 24.88 ? 14  MET B CA  1 
ATOM   63   C C   . MET A 1 8   ? -13.040 -7.807  -24.243 1.00 24.11 ? 14  MET B C   1 
ATOM   64   O O   . MET A 1 8   ? -12.011 -7.668  -24.939 1.00 26.56 ? 14  MET B O   1 
ATOM   65   C CB  . MET A 1 8   ? -12.601 -6.612  -22.087 1.00 30.55 ? 14  MET B CB  1 
ATOM   66   C CG  . MET A 1 8   ? -13.651 -5.516  -22.292 1.00 37.29 ? 14  MET B CG  1 
ATOM   67   S SD  . MET A 1 8   ? -15.212 -5.742  -21.340 1.00 47.53 ? 14  MET B SD  1 
ATOM   68   C CE  . MET A 1 8   ? -14.732 -5.123  -19.730 1.00 39.06 ? 14  MET B CE  1 
ATOM   69   N N   . VAL A 1 9   ? -14.261 -7.828  -24.773 1.00 20.32 ? 15  VAL B N   1 
ATOM   70   C CA  . VAL A 1 9   ? -14.578 -7.599  -26.208 1.00 21.35 ? 15  VAL B CA  1 
ATOM   71   C C   . VAL A 1 9   ? -15.567 -6.421  -26.275 1.00 22.73 ? 15  VAL B C   1 
ATOM   72   O O   . VAL A 1 9   ? -16.418 -6.248  -25.363 1.00 21.02 ? 15  VAL B O   1 
ATOM   73   C CB  . VAL A 1 9   ? -15.110 -8.858  -26.909 1.00 22.66 ? 15  VAL B CB  1 
ATOM   74   C CG1 . VAL A 1 9   ? -14.010 -9.894  -27.026 1.00 25.72 ? 15  VAL B CG1 1 
ATOM   75   C CG2 . VAL A 1 9   ? -16.312 -9.459  -26.210 1.00 22.80 ? 15  VAL B CG2 1 
ATOM   76   N N   . HIS A 1 10  ? -15.485 -5.656  -27.351 1.00 22.55 ? 16  HIS B N   1 
ATOM   77   C CA  . HIS A 1 10  ? -16.362 -4.488  -27.588 1.00 22.03 ? 16  HIS B CA  1 
ATOM   78   C C   . HIS A 1 10  ? -17.598 -4.981  -28.346 1.00 22.09 ? 16  HIS B C   1 
ATOM   79   O O   . HIS A 1 10  ? -17.480 -5.385  -29.497 1.00 25.24 ? 16  HIS B O   1 
ATOM   80   C CB  . HIS A 1 10  ? -15.620 -3.431  -28.393 1.00 22.07 ? 16  HIS B CB  1 
ATOM   81   C CG  . HIS A 1 10  ? -16.383 -2.160  -28.590 1.00 27.37 ? 16  HIS B CG  1 
ATOM   82   N ND1 . HIS A 1 10  ? -16.486 -1.211  -27.595 1.00 30.16 ? 16  HIS B ND1 1 
ATOM   83   C CD2 . HIS A 1 10  ? -17.103 -1.707  -29.641 1.00 30.70 ? 16  HIS B CD2 1 
ATOM   84   C CE1 . HIS A 1 10  ? -17.215 -0.193  -28.029 1.00 29.36 ? 16  HIS B CE1 1 
ATOM   85   N NE2 . HIS A 1 10  ? -17.611 -0.474  -29.294 1.00 33.47 ? 16  HIS B NE2 1 
ATOM   86   N N   . ILE A 1 11  ? -18.722 -5.101  -27.644 1.00 17.53 ? 17  ILE B N   1 
ATOM   87   C CA  . ILE A 1 11  ? -19.952 -5.619  -28.279 1.00 18.63 ? 17  ILE B CA  1 
ATOM   88   C C   . ILE A 1 11  ? -20.770 -4.436  -28.818 1.00 18.28 ? 17  ILE B C   1 
ATOM   89   O O   . ILE A 1 11  ? -20.808 -3.416  -28.170 1.00 17.22 ? 17  ILE B O   1 
ATOM   90   C CB  . ILE A 1 11  ? -20.758 -6.437  -27.253 1.00 17.02 ? 17  ILE B CB  1 
ATOM   91   C CG1 . ILE A 1 11  ? -19.949 -7.638  -26.732 1.00 18.51 ? 17  ILE B CG1 1 
ATOM   92   C CG2 . ILE A 1 11  ? -22.094 -6.838  -27.873 1.00 16.85 ? 17  ILE B CG2 1 
ATOM   93   C CD1 . ILE A 1 11  ? -19.388 -8.563  -27.795 1.00 18.35 ? 17  ILE B CD1 1 
ATOM   94   N N   . THR A 1 12  ? -21.370 -4.615  -29.976 1.00 16.53 ? 18  THR B N   1 
ATOM   95   C CA  . THR A 1 12  ? -22.363 -3.635  -30.504 1.00 17.68 ? 18  THR B CA  1 
ATOM   96   C C   . THR A 1 12  ? -23.626 -4.392  -30.879 1.00 18.49 ? 18  THR B C   1 
ATOM   97   O O   . THR A 1 12  ? -23.574 -5.604  -31.186 1.00 19.10 ? 18  THR B O   1 
ATOM   98   C CB  . THR A 1 12  ? -21.789 -2.847  -31.681 1.00 20.16 ? 18  THR B CB  1 
ATOM   99   O OG1 . THR A 1 12  ? -21.432 -3.748  -32.704 1.00 21.44 ? 18  THR B OG1 1 
ATOM   100  C CG2 . THR A 1 12  ? -20.602 -1.985  -31.305 1.00 22.92 ? 18  THR B CG2 1 
ATOM   101  N N   . LEU A 1 13  ? -24.769 -3.699  -30.837 1.00 16.34 ? 19  LEU B N   1 
ATOM   102  C CA  . LEU A 1 13  ? -26.053 -4.346  -31.149 1.00 16.78 ? 19  LEU B CA  1 
ATOM   103  C C   . LEU A 1 13  ? -26.341 -4.330  -32.642 1.00 16.25 ? 19  LEU B C   1 
ATOM   104  O O   . LEU A 1 13  ? -26.006 -3.322  -33.319 1.00 17.43 ? 19  LEU B O   1 
ATOM   105  C CB  . LEU A 1 13  ? -27.142 -3.618  -30.379 1.00 16.36 ? 19  LEU B CB  1 
ATOM   106  C CG  . LEU A 1 13  ? -26.948 -3.664  -28.877 1.00 16.60 ? 19  LEU B CG  1 
ATOM   107  C CD1 . LEU A 1 13  ? -27.941 -2.769  -28.152 1.00 17.75 ? 19  LEU B CD1 1 
ATOM   108  C CD2 . LEU A 1 13  ? -27.047 -5.095  -28.340 1.00 17.55 ? 19  LEU B CD2 1 
ATOM   109  N N   . ASP A 1 14  ? -26.940 -5.376  -33.138 1.00 15.61 ? 20  ASP B N   1 
ATOM   110  C CA  . ASP A 1 14  ? -27.318 -5.576  -34.558 1.00 15.46 ? 20  ASP B CA  1 
ATOM   111  C C   . ASP A 1 14  ? -28.800 -5.172  -34.739 1.00 16.23 ? 20  ASP B C   1 
ATOM   112  O O   . ASP A 1 14  ? -29.678 -5.949  -34.428 1.00 15.40 ? 20  ASP B O   1 
ATOM   113  C CB  . ASP A 1 14  ? -27.050 -7.009  -35.059 1.00 15.42 ? 20  ASP B CB  1 
ATOM   114  C CG  . ASP A 1 14  ? -27.342 -7.288  -36.525 1.00 21.29 ? 20  ASP B CG  1 
ATOM   115  O OD1 . ASP A 1 14  ? -27.986 -6.402  -37.145 1.00 19.33 ? 20  ASP B OD1 1 
ATOM   116  O OD2 . ASP A 1 14  ? -27.031 -8.408  -37.042 1.00 20.27 ? 20  ASP B OD2 1 
ATOM   117  N N   A ARG A 1 15  ? -29.006 -3.947  -35.248 0.25 16.81 ? 21  ARG B N   1 
ATOM   118  N N   B ARG A 1 15  ? -29.031 -3.955  -35.242 0.25 17.50 ? 21  ARG B N   1 
ATOM   119  C CA  A ARG A 1 15  ? -30.331 -3.319  -35.518 0.25 18.23 ? 21  ARG B CA  1 
ATOM   120  C CA  B ARG A 1 15  ? -30.387 -3.368  -35.421 0.25 19.21 ? 21  ARG B CA  1 
ATOM   121  C C   A ARG A 1 15  ? -31.251 -4.273  -36.273 0.25 17.48 ? 21  ARG B C   1 
ATOM   122  C C   B ARG A 1 15  ? -31.272 -4.277  -36.278 0.25 18.14 ? 21  ARG B C   1 
ATOM   123  O O   A ARG A 1 15  ? -32.469 -4.264  -36.008 0.25 17.38 ? 21  ARG B O   1 
ATOM   124  O O   B ARG A 1 15  ? -32.499 -4.267  -36.067 0.25 17.79 ? 21  ARG B O   1 
ATOM   125  C CB  A ARG A 1 15  ? -30.166 -2.078  -36.409 0.25 19.05 ? 21  ARG B CB  1 
ATOM   126  C CB  B ARG A 1 15  ? -30.284 -1.991  -36.089 0.25 21.56 ? 21  ARG B CB  1 
ATOM   127  C CG  A ARG A 1 15  ? -29.179 -1.046  -35.886 0.25 20.95 ? 21  ARG B CG  1 
ATOM   128  C CG  B ARG A 1 15  ? -29.876 -0.867  -35.152 0.25 24.40 ? 21  ARG B CG  1 
ATOM   129  C CD  A ARG A 1 15  ? -29.253 0.282   -36.633 0.25 21.42 ? 21  ARG B CD  1 
ATOM   130  C CD  B ARG A 1 15  ? -28.436 -0.428  -35.367 0.25 28.08 ? 21  ARG B CD  1 
ATOM   131  N NE  A ARG A 1 15  ? -28.734 1.342   -35.786 0.25 21.61 ? 21  ARG B NE  1 
ATOM   132  N NE  B ARG A 1 15  ? -28.238 0.546   -36.445 0.25 30.65 ? 21  ARG B NE  1 
ATOM   133  C CZ  A ARG A 1 15  ? -29.431 1.906   -34.820 0.25 21.14 ? 21  ARG B CZ  1 
ATOM   134  C CZ  B ARG A 1 15  ? -27.752 0.277   -37.657 0.25 33.41 ? 21  ARG B CZ  1 
ATOM   135  N NH1 A ARG A 1 15  ? -30.681 1.538   -34.627 0.25 22.31 ? 21  ARG B NH1 1 
ATOM   136  N NH1 B ARG A 1 15  ? -27.408 -0.952  -37.995 0.25 36.09 ? 21  ARG B NH1 1 
ATOM   137  N NH2 A ARG A 1 15  ? -28.885 2.845   -34.074 0.25 21.38 ? 21  ARG B NH2 1 
ATOM   138  N NH2 B ARG A 1 15  ? -27.615 1.251   -38.538 0.25 35.51 ? 21  ARG B NH2 1 
ATOM   139  N N   . ASN A 1 16  ? -30.696 -5.024  -37.227 1.00 17.24 ? 22  ASN B N   1 
ATOM   140  C CA  . ASN A 1 16  ? -31.492 -5.868  -38.137 1.00 18.67 ? 22  ASN B CA  1 
ATOM   141  C C   . ASN A 1 16  ? -32.171 -7.022  -37.409 1.00 16.18 ? 22  ASN B C   1 
ATOM   142  O O   . ASN A 1 16  ? -33.162 -7.537  -37.932 1.00 16.90 ? 22  ASN B O   1 
ATOM   143  C CB  . ASN A 1 16  ? -30.633 -6.323  -39.317 1.00 21.88 ? 22  ASN B CB  1 
ATOM   144  C CG  . ASN A 1 16  ? -30.400 -5.180  -40.280 1.00 28.75 ? 22  ASN B CG  1 
ATOM   145  O OD1 . ASN A 1 16  ? -31.159 -4.212  -40.305 1.00 34.59 ? 22  ASN B OD1 1 
ATOM   146  N ND2 . ASN A 1 16  ? -29.355 -5.287  -41.077 1.00 40.62 ? 22  ASN B ND2 1 
ATOM   147  N N   . THR A 1 17  ? -31.631 -7.449  -36.253 1.00 15.52 ? 23  THR B N   1 
ATOM   148  C CA  . THR A 1 17  ? -32.175 -8.554  -35.455 1.00 14.43 ? 23  THR B CA  1 
ATOM   149  C C   . THR A 1 17  ? -33.218 -8.063  -34.445 1.00 13.43 ? 23  THR B C   1 
ATOM   150  O O   . THR A 1 17  ? -33.886 -8.892  -33.835 1.00 13.94 ? 23  THR B O   1 
ATOM   151  C CB  . THR A 1 17  ? -31.078 -9.339  -34.717 1.00 13.67 ? 23  THR B CB  1 
ATOM   152  O OG1 . THR A 1 17  ? -30.507 -8.523  -33.686 1.00 14.73 ? 23  THR B OG1 1 
ATOM   153  C CG2 . THR A 1 17  ? -30.057 -9.900  -35.689 1.00 15.32 ? 23  THR B CG2 1 
ATOM   154  N N   . ALA A 1 18  ? -33.276 -6.763  -34.208 1.00 13.85 ? 24  ALA B N   1 
ATOM   155  C CA  . ALA A 1 18  ? -34.096 -6.202  -33.112 1.00 13.12 ? 24  ALA B CA  1 
ATOM   156  C C   . ALA A 1 18  ? -35.580 -6.409  -33.370 1.00 13.91 ? 24  ALA B C   1 
ATOM   157  O O   . ALA A 1 18  ? -36.075 -6.093  -34.478 1.00 15.28 ? 24  ALA B O   1 
ATOM   158  C CB  . ALA A 1 18  ? -33.771 -4.754  -32.963 1.00 14.19 ? 24  ALA B CB  1 
ATOM   159  N N   . ASN A 1 19  ? -36.328 -6.696  -32.325 1.00 13.65 ? 25  ASN B N   1 
ATOM   160  C CA  . ASN A 1 19  ? -37.785 -6.487  -32.345 1.00 13.93 ? 25  ASN B CA  1 
ATOM   161  C C   . ASN A 1 19  ? -38.039 -5.053  -32.843 1.00 13.46 ? 25  ASN B C   1 
ATOM   162  O O   . ASN A 1 19  ? -37.344 -4.114  -32.465 1.00 13.16 ? 25  ASN B O   1 
ATOM   163  C CB  . ASN A 1 19  ? -38.331 -6.834  -30.983 1.00 14.27 ? 25  ASN B CB  1 
ATOM   164  C CG  . ASN A 1 19  ? -39.803 -6.576  -30.900 1.00 16.66 ? 25  ASN B CG  1 
ATOM   165  O OD1 . ASN A 1 19  ? -40.227 -5.456  -30.667 1.00 15.53 ? 25  ASN B OD1 1 
ATOM   166  N ND2 . ASN A 1 19  ? -40.565 -7.615  -31.049 1.00 20.76 ? 25  ASN B ND2 1 
ATOM   167  N N   . SER A 1 20  ? -39.134 -4.887  -33.548 1.00 12.87 ? 26  SER B N   1 
ATOM   168  C CA  . SER A 1 20  ? -39.493 -3.623  -34.227 1.00 13.46 ? 26  SER B CA  1 
ATOM   169  C C   . SER A 1 20  ? -39.875 -2.534  -33.229 1.00 13.49 ? 26  SER B C   1 
ATOM   170  O O   . SER A 1 20  ? -39.973 -1.385  -33.684 1.00 14.60 ? 26  SER B O   1 
ATOM   171  C CB  . SER A 1 20  ? -40.608 -3.854  -35.226 1.00 15.10 ? 26  SER B CB  1 
ATOM   172  O OG  . SER A 1 20  ? -41.739 -4.331  -34.537 1.00 17.58 ? 26  SER B OG  1 
ATOM   173  N N   . TRP A 1 21  ? -40.070 -2.806  -31.955 1.00 12.52 ? 27  TRP B N   1 
ATOM   174  C CA  . TRP A 1 21  ? -40.364 -1.765  -30.956 1.00 13.29 ? 27  TRP B CA  1 
ATOM   175  C C   . TRP A 1 21  ? -39.113 -1.285  -30.248 1.00 14.70 ? 27  TRP B C   1 
ATOM   176  O O   . TRP A 1 21  ? -39.219 -0.376  -29.427 1.00 14.23 ? 27  TRP B O   1 
ATOM   177  C CB  . TRP A 1 21  ? -41.364 -2.281  -29.948 1.00 14.24 ? 27  TRP B CB  1 
ATOM   178  C CG  . TRP A 1 21  ? -42.759 -2.379  -30.513 1.00 14.26 ? 27  TRP B CG  1 
ATOM   179  C CD1 . TRP A 1 21  ? -43.156 -2.933  -31.697 1.00 14.45 ? 27  TRP B CD1 1 
ATOM   180  C CD2 . TRP A 1 21  ? -43.948 -1.976  -29.838 1.00 16.68 ? 27  TRP B CD2 1 
ATOM   181  N NE1 . TRP A 1 21  ? -44.523 -2.845  -31.821 1.00 17.34 ? 27  TRP B NE1 1 
ATOM   182  C CE2 . TRP A 1 21  ? -45.023 -2.289  -30.698 1.00 15.35 ? 27  TRP B CE2 1 
ATOM   183  C CE3 . TRP A 1 21  ? -44.196 -1.349  -28.616 1.00 18.81 ? 27  TRP B CE3 1 
ATOM   184  C CZ2 . TRP A 1 21  ? -46.349 -2.004  -30.348 1.00 19.42 ? 27  TRP B CZ2 1 
ATOM   185  C CZ3 . TRP A 1 21  ? -45.517 -1.099  -28.253 1.00 20.24 ? 27  TRP B CZ3 1 
ATOM   186  C CH2 . TRP A 1 21  ? -46.562 -1.456  -29.105 1.00 20.94 ? 27  TRP B CH2 1 
ATOM   187  N N   . LEU A 1 22  ? -37.935 -1.871  -30.556 1.00 13.59 ? 28  LEU B N   1 
ATOM   188  C CA  . LEU A 1 22  ? -36.721 -1.479  -29.803 1.00 13.72 ? 28  LEU B CA  1 
ATOM   189  C C   . LEU A 1 22  ? -36.104 -0.217  -30.426 1.00 13.72 ? 28  LEU B C   1 
ATOM   190  O O   . LEU A 1 22  ? -36.127 -0.031  -31.640 1.00 14.58 ? 28  LEU B O   1 
ATOM   191  C CB  . LEU A 1 22  ? -35.706 -2.625  -29.804 1.00 12.23 ? 28  LEU B CB  1 
ATOM   192  C CG  . LEU A 1 22  ? -36.132 -3.877  -29.058 1.00 14.05 ? 28  LEU B CG  1 
ATOM   193  C CD1 . LEU A 1 22  ? -35.024 -4.920  -29.046 1.00 13.83 ? 28  LEU B CD1 1 
ATOM   194  C CD2 . LEU A 1 22  ? -36.573 -3.601  -27.665 1.00 15.00 ? 28  LEU B CD2 1 
ATOM   195  N N   . ILE A 1 23  ? -35.485 0.553   -29.546 1.00 13.14 ? 29  ILE B N   1 
ATOM   196  C CA  . ILE A 1 23  ? -34.716 1.766   -29.924 1.00 14.32 ? 29  ILE B CA  1 
ATOM   197  C C   . ILE A 1 23  ? -33.267 1.543   -29.504 1.00 14.42 ? 29  ILE B C   1 
ATOM   198  O O   . ILE A 1 23  ? -32.989 1.432   -28.286 1.00 15.24 ? 29  ILE B O   1 
ATOM   199  C CB  . ILE A 1 23  ? -35.277 3.027   -29.305 1.00 15.99 ? 29  ILE B CB  1 
ATOM   200  C CG1 . ILE A 1 23  ? -36.757 3.265   -29.691 1.00 16.04 ? 29  ILE B CG1 1 
ATOM   201  C CG2 . ILE A 1 23  ? -34.422 4.248   -29.724 1.00 17.42 ? 29  ILE B CG2 1 
ATOM   202  C CD1 . ILE A 1 23  ? -37.415 4.321   -28.920 1.00 18.23 ? 29  ILE B CD1 1 
ATOM   203  N N   . ILE A 1 24  ? -32.399 1.450   -30.502 1.00 16.82 ? 30  ILE B N   1 
ATOM   204  C CA  . ILE A 1 24  ? -30.944 1.253   -30.284 1.00 16.83 ? 30  ILE B CA  1 
ATOM   205  C C   . ILE A 1 24  ? -30.254 2.591   -30.471 1.00 19.16 ? 30  ILE B C   1 
ATOM   206  O O   . ILE A 1 24  ? -30.531 3.342   -31.472 1.00 20.21 ? 30  ILE B O   1 
ATOM   207  C CB  . ILE A 1 24  ? -30.434 0.177   -31.227 1.00 17.58 ? 30  ILE B CB  1 
ATOM   208  C CG1 . ILE A 1 24  ? -31.008 -1.179  -30.849 1.00 20.90 ? 30  ILE B CG1 1 
ATOM   209  C CG2 . ILE A 1 24  ? -28.914 0.113   -31.237 1.00 17.94 ? 30  ILE B CG2 1 
ATOM   210  C CD1 . ILE A 1 24  ? -30.786 -2.186  -31.821 1.00 23.06 ? 30  ILE B CD1 1 
ATOM   211  N N   . SER A 1 25  ? -29.362 2.939   -29.567 1.00 17.75 ? 31  SER B N   1 
ATOM   212  C CA  . SER A 1 25  ? -28.660 4.226   -29.627 1.00 18.87 ? 31  SER B CA  1 
ATOM   213  C C   . SER A 1 25  ? -27.735 4.290   -30.848 1.00 16.91 ? 31  SER B C   1 
ATOM   214  O O   . SER A 1 25  ? -27.377 3.282   -31.442 1.00 17.80 ? 31  SER B O   1 
ATOM   215  C CB  . SER A 1 25  ? -27.917 4.410   -28.361 1.00 19.68 ? 31  SER B CB  1 
ATOM   216  O OG  . SER A 1 25  ? -26.961 3.361   -28.213 1.00 19.47 ? 31  SER B OG  1 
ATOM   217  N N   . LYS A 1 26  ? -27.353 5.526   -31.208 1.00 21.01 ? 32  LYS B N   1 
ATOM   218  C CA  . LYS A 1 26  ? -26.439 5.779   -32.353 1.00 21.44 ? 32  LYS B CA  1 
ATOM   219  C C   . LYS A 1 26  ? -25.163 4.932   -32.258 1.00 18.92 ? 32  LYS B C   1 
ATOM   220  O O   . LYS A 1 26  ? -24.719 4.437   -33.311 1.00 22.83 ? 32  LYS B O   1 
ATOM   221  C CB  . LYS A 1 26  ? -26.122 7.283   -32.356 1.00 24.82 ? 32  LYS B CB  1 
ATOM   222  C CG  . LYS A 1 26  ? -25.190 7.716   -33.458 1.00 29.53 ? 32  LYS B CG  1 
ATOM   223  C CD  . LYS A 1 26  ? -25.341 9.192   -33.694 1.00 28.82 ? 32  LYS B CD  1 
ATOM   224  C CE  . LYS A 1 26  ? -25.289 9.974   -32.409 1.00 33.89 ? 32  LYS B CE  1 
ATOM   225  N NZ  . LYS A 1 26  ? -25.338 11.406  -32.732 1.00 37.55 ? 32  LYS B NZ  1 
ATOM   226  N N   . ASP A 1 27  ? -24.593 4.836   -31.058 1.00 21.65 ? 33  ASP B N   1 
ATOM   227  C CA  . ASP A 1 27  ? -23.312 4.100   -30.852 1.00 20.49 ? 33  ASP B CA  1 
ATOM   228  C C   . ASP A 1 27  ? -23.553 2.582   -30.811 1.00 19.00 ? 33  ASP B C   1 
ATOM   229  O O   . ASP A 1 27  ? -22.565 1.835   -30.730 1.00 19.13 ? 33  ASP B O   1 
ATOM   230  C CB  . ASP A 1 27  ? -22.565 4.608   -29.616 1.00 21.36 ? 33  ASP B CB  1 
ATOM   231  C CG  . ASP A 1 27  ? -23.257 4.375   -28.280 1.00 20.81 ? 33  ASP B CG  1 
ATOM   232  O OD1 . ASP A 1 27  ? -24.362 3.732   -28.267 1.00 20.86 ? 33  ASP B OD1 1 
ATOM   233  O OD2 . ASP A 1 27  ? -22.670 4.807   -27.262 1.00 24.83 ? 33  ASP B OD2 1 
ATOM   234  N N   . ARG A 1 28  ? -24.790 2.130   -30.902 1.00 17.34 ? 34  ARG B N   1 
ATOM   235  C CA  . ARG A 1 28  ? -25.154 0.692   -30.940 1.00 16.66 ? 34  ARG B CA  1 
ATOM   236  C C   . ARG A 1 28  ? -24.720 0.036   -29.606 1.00 14.28 ? 34  ARG B C   1 
ATOM   237  O O   . ARG A 1 28  ? -24.567 -1.196  -29.595 1.00 15.29 ? 34  ARG B O   1 
ATOM   238  C CB  . ARG A 1 28  ? -24.636 0.002   -32.211 1.00 20.96 ? 34  ARG B CB  1 
ATOM   239  C CG  . ARG A 1 28  ? -25.271 0.589   -33.469 1.00 24.35 ? 34  ARG B CG  1 
ATOM   240  C CD  . ARG A 1 28  ? -24.901 -0.097  -34.745 1.00 33.61 ? 34  ARG B CD  1 
ATOM   241  N NE  . ARG A 1 28  ? -23.473 -0.298  -34.916 1.00 42.30 ? 34  ARG B NE  1 
ATOM   242  C CZ  . ARG A 1 28  ? -22.820 -1.478  -34.857 1.00 58.22 ? 34  ARG B CZ  1 
ATOM   243  N NH1 . ARG A 1 28  ? -23.449 -2.632  -34.627 1.00 52.05 ? 34  ARG B NH1 1 
ATOM   244  N NH2 . ARG A 1 28  ? -21.506 -1.491  -35.051 1.00 63.55 ? 34  ARG B NH2 1 
ATOM   245  N N   . ARG A 1 29  ? -24.682 0.776   -28.521 1.00 13.98 ? 35  ARG B N   1 
ATOM   246  C CA  . ARG A 1 29  ? -24.289 0.233   -27.195 1.00 15.97 ? 35  ARG B CA  1 
ATOM   247  C C   . ARG A 1 29  ? -25.432 0.257   -26.189 1.00 15.76 ? 35  ARG B C   1 
ATOM   248  O O   . ARG A 1 29  ? -25.270 -0.309  -25.094 1.00 16.19 ? 35  ARG B O   1 
ATOM   249  C CB  . ARG A 1 29  ? -23.097 0.996   -26.625 1.00 16.83 ? 35  ARG B CB  1 
ATOM   250  C CG  . ARG A 1 29  ? -21.881 0.911   -27.540 1.00 19.31 ? 35  ARG B CG  1 
ATOM   251  C CD  . ARG A 1 29  ? -21.028 -0.292  -27.281 1.00 20.48 ? 35  ARG B CD  1 
ATOM   252  N NE  . ARG A 1 29  ? -20.245 -0.075  -26.062 1.00 21.92 ? 35  ARG B NE  1 
ATOM   253  C CZ  . ARG A 1 29  ? -19.530 -1.018  -25.440 1.00 20.77 ? 35  ARG B CZ  1 
ATOM   254  N NH1 . ARG A 1 29  ? -19.471 -2.210  -25.975 1.00 21.12 ? 35  ARG B NH1 1 
ATOM   255  N NH2 . ARG A 1 29  ? -18.850 -0.737  -24.345 1.00 23.23 ? 35  ARG B NH2 1 
ATOM   256  N N   . GLN A 1 30  ? -26.588 0.824   -26.507 1.00 14.40 ? 36  GLN B N   1 
ATOM   257  C CA  . GLN A 1 30  ? -27.745 0.883   -25.592 1.00 14.48 ? 36  GLN B CA  1 
ATOM   258  C C   . GLN A 1 30  ? -29.014 0.501   -26.342 1.00 14.67 ? 36  GLN B C   1 
ATOM   259  O O   . GLN A 1 30  ? -29.135 0.759   -27.555 1.00 14.88 ? 36  GLN B O   1 
ATOM   260  C CB  . GLN A 1 30  ? -27.954 2.287   -25.023 1.00 17.26 ? 36  GLN B CB  1 
ATOM   261  C CG  . GLN A 1 30  ? -26.709 2.871   -24.407 1.00 20.50 ? 36  GLN B CG  1 
ATOM   262  C CD  . GLN A 1 30  ? -27.061 4.127   -23.641 1.00 24.39 ? 36  GLN B CD  1 
ATOM   263  O OE1 . GLN A 1 30  ? -28.213 4.364   -23.265 1.00 28.26 ? 36  GLN B OE1 1 
ATOM   264  N NE2 . GLN A 1 30  ? -26.051 4.918   -23.374 1.00 29.98 ? 36  GLN B NE2 1 
ATOM   265  N N   . VAL A 1 31  ? -29.936 -0.119  -25.627 1.00 13.49 ? 37  VAL B N   1 
ATOM   266  C CA  . VAL A 1 31  ? -31.239 -0.505  -26.225 1.00 13.08 ? 37  VAL B CA  1 
ATOM   267  C C   . VAL A 1 31  ? -32.321 -0.328  -25.173 1.00 14.02 ? 37  VAL B C   1 
ATOM   268  O O   . VAL A 1 31  ? -32.125 -0.722  -24.020 1.00 13.21 ? 37  VAL B O   1 
ATOM   269  C CB  . VAL A 1 31  ? -31.198 -1.912  -26.820 1.00 12.50 ? 37  VAL B CB  1 
ATOM   270  C CG1 . VAL A 1 31  ? -30.779 -2.996  -25.810 1.00 12.89 ? 37  VAL B CG1 1 
ATOM   271  C CG2 . VAL A 1 31  ? -32.516 -2.274  -27.493 1.00 14.10 ? 37  VAL B CG2 1 
ATOM   272  N N   . ARG A 1 32  ? -33.473 0.174   -25.578 1.00 13.52 ? 38  ARG B N   1 
ATOM   273  C CA  . ARG A 1 32  ? -34.653 0.236   -24.703 1.00 14.10 ? 38  ARG B CA  1 
ATOM   274  C C   . ARG A 1 32  ? -35.903 -0.060  -25.522 1.00 14.42 ? 38  ARG B C   1 
ATOM   275  O O   . ARG A 1 32  ? -35.902 0.028   -26.749 1.00 13.04 ? 38  ARG B O   1 
ATOM   276  C CB  . ARG A 1 32  ? -34.799 1.594   -24.012 1.00 15.33 ? 38  ARG B CB  1 
ATOM   277  C CG  . ARG A 1 32  ? -35.038 2.734   -24.987 1.00 18.67 ? 38  ARG B CG  1 
ATOM   278  C CD  . ARG A 1 32  ? -34.982 4.032   -24.175 1.00 20.80 ? 38  ARG B CD  1 
ATOM   279  N NE  . ARG A 1 32  ? -35.231 5.150   -25.064 1.00 25.49 ? 38  ARG B NE  1 
ATOM   280  C CZ  . ARG A 1 32  ? -36.415 5.646   -25.386 1.00 22.16 ? 38  ARG B CZ  1 
ATOM   281  N NH1 . ARG A 1 32  ? -37.537 5.135   -24.930 1.00 25.75 ? 38  ARG B NH1 1 
ATOM   282  N NH2 . ARG A 1 32  ? -36.462 6.694   -26.216 1.00 27.92 ? 38  ARG B NH2 1 
ATOM   283  N N   A MET A 1 33  ? -36.958 -0.372  -24.769 0.25 13.81 ? 39  MET B N   1 
ATOM   284  N N   B MET A 1 33  ? -36.977 -0.463  -24.844 0.25 14.78 ? 39  MET B N   1 
ATOM   285  C CA  A MET A 1 33  ? -38.329 -0.597  -25.288 0.25 15.07 ? 39  MET B CA  1 
ATOM   286  C CA  B MET A 1 33  ? -38.249 -0.751  -25.559 0.25 16.13 ? 39  MET B CA  1 
ATOM   287  C C   A MET A 1 33  ? -38.928 0.758   -25.685 0.25 14.99 ? 39  MET B C   1 
ATOM   288  C C   B MET A 1 33  ? -39.056 0.542   -25.671 0.25 15.83 ? 39  MET B C   1 
ATOM   289  O O   A MET A 1 33  ? -38.887 1.710   -24.895 0.25 14.87 ? 39  MET B O   1 
ATOM   290  O O   B MET A 1 33  ? -39.377 1.144   -24.614 0.25 14.90 ? 39  MET B O   1 
ATOM   291  C CB  A MET A 1 33  ? -39.165 -1.294  -24.207 0.25 15.53 ? 39  MET B CB  1 
ATOM   292  C CB  B MET A 1 33  ? -39.100 -1.826  -24.879 0.25 17.77 ? 39  MET B CB  1 
ATOM   293  C CG  A MET A 1 33  ? -40.545 -1.761  -24.684 0.25 16.72 ? 39  MET B CG  1 
ATOM   294  C CG  B MET A 1 33  ? -40.483 -1.976  -25.552 0.25 20.20 ? 39  MET B CG  1 
ATOM   295  S SD  A MET A 1 33  ? -40.464 -2.767  -26.220 0.25 18.01 ? 39  MET B SD  1 
ATOM   296  S SD  B MET A 1 33  ? -41.265 -3.554  -25.151 0.25 23.57 ? 39  MET B SD  1 
ATOM   297  C CE  A MET A 1 33  ? -41.983 -3.715  -26.153 0.25 17.95 ? 39  MET B CE  1 
ATOM   298  C CE  B MET A 1 33  ? -42.560 -3.568  -26.391 0.25 22.93 ? 39  MET B CE  1 
ATOM   299  N N   . GLY A 1 34  ? -39.390 0.879   -26.922 1.00 15.23 ? 40  GLY B N   1 
ATOM   300  C CA  . GLY A 1 34  ? -40.191 2.059   -27.313 1.00 17.37 ? 40  GLY B CA  1 
ATOM   301  C C   . GLY A 1 34  ? -41.645 1.866   -26.925 1.00 17.27 ? 40  GLY B C   1 
ATOM   302  O O   . GLY A 1 34  ? -42.048 0.762   -26.500 1.00 17.83 ? 40  GLY B O   1 
ATOM   303  N N   . ASP A 1 35  ? -42.409 2.970   -26.936 1.00 21.64 ? 41  ASP B N   1 
ATOM   304  C CA  . ASP A 1 35  ? -43.847 2.896   -26.530 1.00 24.39 ? 41  ASP B CA  1 
ATOM   305  C C   . ASP A 1 35  ? -44.697 2.546   -27.777 1.00 25.81 ? 41  ASP B C   1 
ATOM   306  O O   . ASP A 1 35  ? -45.926 2.375   -27.628 1.00 25.71 ? 41  ASP B O   1 
ATOM   307  C CB  . ASP A 1 35  ? -44.280 4.164   -25.767 1.00 30.27 ? 41  ASP B CB  1 
ATOM   308  C CG  . ASP A 1 35  ? -43.813 4.255   -24.297 1.00 41.09 ? 41  ASP B CG  1 
ATOM   309  O OD1 . ASP A 1 35  ? -43.506 3.200   -23.688 1.00 42.76 ? 41  ASP B OD1 1 
ATOM   310  O OD2 . ASP A 1 35  ? -43.782 5.384   -23.731 1.00 39.48 ? 41  ASP B OD2 1 
ATOM   311  N N   . THR A 1 36  ? -44.074 2.267   -28.921 1.00 19.27 ? 42  THR B N   1 
ATOM   312  C CA  . THR A 1 36  ? -44.776 1.955   -30.209 1.00 18.62 ? 42  THR B CA  1 
ATOM   313  C C   . THR A 1 36  ? -43.832 1.269   -31.215 1.00 15.78 ? 42  THR B C   1 
ATOM   314  O O   . THR A 1 36  ? -42.546 1.239   -31.030 1.00 14.94 ? 42  THR B O   1 
ATOM   315  C CB  . THR A 1 36  ? -45.320 3.288   -30.717 1.00 20.18 ? 42  THR B CB  1 
ATOM   316  O OG1 . THR A 1 36  ? -46.230 3.014   -31.748 1.00 21.08 ? 42  THR B OG1 1 
ATOM   317  C CG2 . THR A 1 36  ? -44.247 4.185   -31.292 1.00 21.53 ? 42  THR B CG2 1 
ATOM   318  N N   . HIS A 1 37  ? -44.328 0.790   -32.356 1.00 15.85 ? 43  HIS B N   1 
ATOM   319  C CA  . HIS A 1 37  ? -43.488 0.326   -33.490 1.00 14.56 ? 43  HIS B CA  1 
ATOM   320  C C   . HIS A 1 37  ? -42.545 1.429   -33.948 1.00 16.56 ? 43  HIS B C   1 
ATOM   321  O O   . HIS A 1 37  ? -43.013 2.590   -34.149 1.00 17.34 ? 43  HIS B O   1 
ATOM   322  C CB  . HIS A 1 37  ? -44.423 -0.175  -34.604 1.00 14.59 ? 43  HIS B CB  1 
ATOM   323  C CG  . HIS A 1 37  ? -43.806 -0.830  -35.780 1.00 14.12 ? 43  HIS B CG  1 
ATOM   324  N ND1 . HIS A 1 37  ? -43.027 -0.173  -36.729 1.00 14.20 ? 43  HIS B ND1 1 
ATOM   325  C CD2 . HIS A 1 37  ? -43.919 -2.104  -36.217 1.00 14.40 ? 43  HIS B CD2 1 
ATOM   326  C CE1 . HIS A 1 37  ? -42.689 -1.026  -37.655 1.00 14.95 ? 43  HIS B CE1 1 
ATOM   327  N NE2 . HIS A 1 37  ? -43.212 -2.246  -37.350 1.00 15.34 ? 43  HIS B NE2 1 
ATOM   328  N N   . GLN A 1 38  ? -41.261 1.108   -34.162 1.00 15.60 ? 44  GLN B N   1 
ATOM   329  C CA  . GLN A 1 38  ? -40.222 2.113   -34.468 1.00 15.81 ? 44  GLN B CA  1 
ATOM   330  C C   . GLN A 1 38  ? -40.061 2.357   -35.973 1.00 16.89 ? 44  GLN B C   1 
ATOM   331  O O   . GLN A 1 38  ? -39.044 2.957   -36.382 1.00 17.73 ? 44  GLN B O   1 
ATOM   332  C CB  . GLN A 1 38  ? -38.923 1.729   -33.739 1.00 15.36 ? 44  GLN B CB  1 
ATOM   333  C CG  . GLN A 1 38  ? -39.082 1.806   -32.246 1.00 15.52 ? 44  GLN B CG  1 
ATOM   334  C CD  . GLN A 1 38  ? -39.556 3.125   -31.734 1.00 15.83 ? 44  GLN B CD  1 
ATOM   335  O OE1 . GLN A 1 38  ? -40.511 3.253   -30.980 1.00 18.91 ? 44  GLN B OE1 1 
ATOM   336  N NE2 . GLN A 1 38  ? -38.939 4.186   -32.201 1.00 14.87 ? 44  GLN B NE2 1 
ATOM   337  N N   . ASN A 1 39  ? -41.023 1.958   -36.803 1.00 15.38 ? 45  ASN B N   1 
ATOM   338  C CA  . ASN A 1 39  ? -41.115 2.447   -38.210 1.00 14.93 ? 45  ASN B CA  1 
ATOM   339  C C   . ASN A 1 39  ? -40.023 1.836   -39.079 1.00 16.31 ? 45  ASN B C   1 
ATOM   340  O O   . ASN A 1 39  ? -39.571 2.435   -40.060 1.00 18.65 ? 45  ASN B O   1 
ATOM   341  C CB  . ASN A 1 39  ? -41.189 3.989   -38.298 1.00 16.01 ? 45  ASN B CB  1 
ATOM   342  C CG  . ASN A 1 39  ? -41.831 4.421   -39.608 1.00 15.48 ? 45  ASN B CG  1 
ATOM   343  O OD1 . ASN A 1 39  ? -42.701 3.739   -40.171 1.00 15.19 ? 45  ASN B OD1 1 
ATOM   344  N ND2 . ASN A 1 39  ? -41.360 5.535   -40.198 1.00 14.94 ? 45  ASN B ND2 1 
ATOM   345  N N   . VAL A 1 40  ? -39.656 0.588   -38.777 1.00 17.72 ? 46  VAL B N   1 
ATOM   346  C CA  . VAL A 1 40  ? -38.686 -0.223  -39.564 1.00 18.09 ? 46  VAL B CA  1 
ATOM   347  C C   . VAL A 1 40  ? -39.449 -1.263  -40.406 1.00 17.76 ? 46  VAL B C   1 
ATOM   348  O O   . VAL A 1 40  ? -40.509 -1.698  -39.964 1.00 18.61 ? 46  VAL B O   1 
ATOM   349  C CB  . VAL A 1 40  ? -37.643 -0.895  -38.648 1.00 18.82 ? 46  VAL B CB  1 
ATOM   350  C CG1 . VAL A 1 40  ? -36.740 0.145   -37.988 1.00 22.38 ? 46  VAL B CG1 1 
ATOM   351  C CG2 . VAL A 1 40  ? -38.287 -1.787  -37.598 1.00 20.33 ? 46  VAL B CG2 1 
ATOM   352  N N   . SER A 1 41  ? -38.888 -1.710  -41.525 1.00 19.69 ? 47  SER B N   1 
ATOM   353  C CA  . SER A 1 41  ? -39.434 -2.850  -42.293 1.00 20.39 ? 47  SER B CA  1 
ATOM   354  C C   . SER A 1 41  ? -39.244 -4.150  -41.516 1.00 19.28 ? 47  SER B C   1 
ATOM   355  O O   . SER A 1 41  ? -38.292 -4.282  -40.742 1.00 18.09 ? 47  SER B O   1 
ATOM   356  C CB  . SER A 1 41  ? -38.818 -2.952  -43.666 1.00 23.71 ? 47  SER B CB  1 
ATOM   357  O OG  . SER A 1 41  ? -37.417 -3.102  -43.559 1.00 25.84 ? 47  SER B OG  1 
ATOM   358  N N   . ASP A 1 42  ? -40.077 -5.136  -41.765 1.00 19.50 ? 48  ASP B N   1 
ATOM   359  C CA  . ASP A 1 42  ? -39.906 -6.482  -41.185 1.00 19.00 ? 48  ASP B CA  1 
ATOM   360  C C   . ASP A 1 42  ? -38.869 -7.235  -42.012 1.00 20.98 ? 48  ASP B C   1 
ATOM   361  O O   . ASP A 1 42  ? -38.593 -6.882  -43.177 1.00 21.71 ? 48  ASP B O   1 
ATOM   362  C CB  . ASP A 1 42  ? -41.236 -7.205  -41.116 1.00 21.99 ? 48  ASP B CB  1 
ATOM   363  C CG  . ASP A 1 42  ? -41.149 -8.449  -40.268 1.00 27.11 ? 48  ASP B CG  1 
ATOM   364  O OD1 . ASP A 1 42  ? -40.388 -8.455  -39.202 1.00 19.65 ? 48  ASP B OD1 1 
ATOM   365  O OD2 . ASP A 1 42  ? -41.696 -9.451  -40.769 1.00 36.79 ? 48  ASP B OD2 1 
ATOM   366  N N   . ASN A 1 43  ? -38.232 -8.225  -41.373 1.00 18.94 ? 49  ASN B N   1 
ATOM   367  C CA  . ASN A 1 43  ? -37.253 -9.118  -42.031 1.00 20.60 ? 49  ASN B CA  1 
ATOM   368  C C   . ASN A 1 43  ? -37.208 -10.422 -41.232 1.00 20.54 ? 49  ASN B C   1 
ATOM   369  O O   . ASN A 1 43  ? -37.844 -10.523 -40.145 1.00 21.87 ? 49  ASN B O   1 
ATOM   370  C CB  . ASN A 1 43  ? -35.900 -8.460  -42.210 1.00 20.12 ? 49  ASN B CB  1 
ATOM   371  C CG  . ASN A 1 43  ? -35.167 -8.276  -40.893 1.00 20.15 ? 49  ASN B CG  1 
ATOM   372  O OD1 . ASN A 1 43  ? -35.033 -9.232  -40.136 1.00 21.95 ? 49  ASN B OD1 1 
ATOM   373  N ND2 . ASN A 1 43  ? -34.788 -7.086  -40.572 1.00 19.05 ? 49  ASN B ND2 1 
ATOM   374  N N   . LYS A 1 44  ? -36.543 -11.418 -41.792 1.00 22.69 ? 50  LYS B N   1 
ATOM   375  C CA  . LYS A 1 44  ? -36.600 -12.784 -41.229 1.00 22.97 ? 50  LYS B CA  1 
ATOM   376  C C   . LYS A 1 44  ? -35.714 -12.865 -39.968 1.00 19.48 ? 50  LYS B C   1 
ATOM   377  O O   . LYS A 1 44  ? -35.901 -13.836 -39.214 1.00 21.07 ? 50  LYS B O   1 
ATOM   378  C CB  . LYS A 1 44  ? -36.094 -13.791 -42.281 1.00 25.80 ? 50  LYS B CB  1 
ATOM   379  C CG  . LYS A 1 44  ? -34.649 -13.588 -42.691 1.00 31.46 ? 50  LYS B CG  1 
ATOM   380  C CD  . LYS A 1 44  ? -34.210 -14.332 -43.955 1.00 41.32 ? 50  LYS B CD  1 
ATOM   381  C CE  . LYS A 1 44  ? -32.697 -14.358 -44.058 1.00 46.60 ? 50  LYS B CE  1 
ATOM   382  N NZ  . LYS A 1 44  ? -32.241 -15.163 -45.217 1.00 55.87 ? 50  LYS B NZ  1 
ATOM   383  N N   . GLU A 1 45  ? -34.814 -11.912 -39.770 1.00 19.30 ? 51  GLU B N   1 
ATOM   384  C CA  . GLU A 1 45  ? -33.893 -11.900 -38.587 1.00 18.63 ? 51  GLU B CA  1 
ATOM   385  C C   . GLU A 1 45  ? -34.627 -11.392 -37.329 1.00 18.51 ? 51  GLU B C   1 
ATOM   386  O O   . GLU A 1 45  ? -34.185 -11.742 -36.199 1.00 18.82 ? 51  GLU B O   1 
ATOM   387  C CB  . GLU A 1 45  ? -32.691 -11.022 -38.865 1.00 21.93 ? 51  GLU B CB  1 
ATOM   388  C CG  . GLU A 1 45  ? -31.751 -11.482 -39.987 1.00 26.44 ? 51  GLU B CG  1 
ATOM   389  C CD  . GLU A 1 45  ? -30.590 -10.497 -40.137 1.00 32.10 ? 51  GLU B CD  1 
ATOM   390  O OE1 . GLU A 1 45  ? -30.614 -9.668  -41.089 1.00 40.07 ? 51  GLU B OE1 1 
ATOM   391  O OE2 . GLU A 1 45  ? -29.679 -10.490 -39.290 1.00 37.42 ? 51  GLU B OE2 1 
ATOM   392  N N   . ARG A 1 46  ? -35.661 -10.554 -37.447 1.00 16.83 ? 52  ARG B N   1 
ATOM   393  C CA  . ARG A 1 46  ? -36.183 -9.837  -36.259 1.00 15.85 ? 52  ARG B CA  1 
ATOM   394  C C   . ARG A 1 46  ? -36.898 -10.775 -35.300 1.00 15.61 ? 52  ARG B C   1 
ATOM   395  O O   . ARG A 1 46  ? -37.768 -11.593 -35.698 1.00 16.69 ? 52  ARG B O   1 
ATOM   396  C CB  . ARG A 1 46  ? -37.174 -8.736  -36.647 1.00 14.09 ? 52  ARG B CB  1 
ATOM   397  C CG  . ARG A 1 46  ? -36.573 -7.591  -37.413 1.00 15.99 ? 52  ARG B CG  1 
ATOM   398  C CD  . ARG A 1 46  ? -37.506 -6.357  -37.382 1.00 15.20 ? 52  ARG B CD  1 
ATOM   399  N NE  . ARG A 1 46  ? -36.998 -5.353  -38.289 1.00 16.78 ? 52  ARG B NE  1 
ATOM   400  C CZ  . ARG A 1 46  ? -35.909 -4.638  -38.099 1.00 15.99 ? 52  ARG B CZ  1 
ATOM   401  N NH1 . ARG A 1 46  ? -35.258 -4.685  -36.937 1.00 15.38 ? 52  ARG B NH1 1 
ATOM   402  N NH2 . ARG A 1 46  ? -35.438 -3.832  -39.051 1.00 19.33 ? 52  ARG B NH2 1 
ATOM   403  N N   . PHE A 1 47  ? -36.602 -10.692 -34.001 1.00 14.28 ? 53  PHE B N   1 
ATOM   404  C CA  . PHE A 1 47  ? -37.408 -11.400 -33.000 1.00 13.82 ? 53  PHE B CA  1 
ATOM   405  C C   . PHE A 1 47  ? -38.832 -10.798 -33.005 1.00 17.17 ? 53  PHE B C   1 
ATOM   406  O O   . PHE A 1 47  ? -38.968 -9.600  -32.763 1.00 16.18 ? 53  PHE B O   1 
ATOM   407  C CB  . PHE A 1 47  ? -36.796 -11.304 -31.616 1.00 14.31 ? 53  PHE B CB  1 
ATOM   408  C CG  . PHE A 1 47  ? -35.555 -12.156 -31.474 1.00 13.87 ? 53  PHE B CG  1 
ATOM   409  C CD1 . PHE A 1 47  ? -35.676 -13.514 -31.218 1.00 13.61 ? 53  PHE B CD1 1 
ATOM   410  C CD2 . PHE A 1 47  ? -34.284 -11.600 -31.560 1.00 15.22 ? 53  PHE B CD2 1 
ATOM   411  C CE1 . PHE A 1 47  ? -34.550 -14.312 -31.068 1.00 15.39 ? 53  PHE B CE1 1 
ATOM   412  C CE2 . PHE A 1 47  ? -33.160 -12.419 -31.387 1.00 14.88 ? 53  PHE B CE2 1 
ATOM   413  C CZ  . PHE A 1 47  ? -33.308 -13.775 -31.149 1.00 13.88 ? 53  PHE B CZ  1 
ATOM   414  N N   . SER A 1 48  ? -39.847 -11.588 -33.274 1.00 17.50 ? 54  SER B N   1 
ATOM   415  C CA  . SER A 1 48  ? -41.218 -11.046 -33.477 1.00 18.96 ? 54  SER B CA  1 
ATOM   416  C C   . SER A 1 48  ? -41.990 -10.946 -32.168 1.00 18.23 ? 54  SER B C   1 
ATOM   417  O O   . SER A 1 48  ? -42.758 -9.972  -32.022 1.00 20.96 ? 54  SER B O   1 
ATOM   418  C CB  . SER A 1 48  ? -41.925 -11.911 -34.496 1.00 18.35 ? 54  SER B CB  1 
ATOM   419  O OG  . SER A 1 48  ? -42.110 -13.236 -34.065 1.00 18.47 ? 54  SER B OG  1 
ATOM   420  N N   . ASN A 1 49  ? -41.855 -11.868 -31.235 1.00 16.05 ? 55  ASN B N   1 
ATOM   421  C CA  . ASN A 1 49  ? -42.778 -12.043 -30.080 1.00 17.45 ? 55  ASN B CA  1 
ATOM   422  C C   . ASN A 1 49  ? -42.280 -11.324 -28.829 1.00 16.64 ? 55  ASN B C   1 
ATOM   423  O O   . ASN A 1 49  ? -43.062 -11.161 -27.890 1.00 18.33 ? 55  ASN B O   1 
ATOM   424  C CB  . ASN A 1 49  ? -43.083 -13.501 -29.767 1.00 18.43 ? 55  ASN B CB  1 
ATOM   425  C CG  . ASN A 1 49  ? -44.010 -14.162 -30.778 1.00 21.95 ? 55  ASN B CG  1 
ATOM   426  O OD1 . ASN A 1 49  ? -43.857 -13.976 -31.986 1.00 24.44 ? 55  ASN B OD1 1 
ATOM   427  N ND2 . ASN A 1 49  ? -44.945 -14.945 -30.261 1.00 27.82 ? 55  ASN B ND2 1 
ATOM   428  N N   . TYR A 1 50  ? -40.970 -11.056 -28.731 1.00 15.02 ? 56  TYR B N   1 
ATOM   429  C CA  . TYR A 1 50  ? -40.378 -10.571 -27.472 1.00 14.10 ? 56  TYR B CA  1 
ATOM   430  C C   . TYR A 1 50  ? -39.416 -9.426  -27.786 1.00 12.87 ? 56  TYR B C   1 
ATOM   431  O O   . TYR A 1 50  ? -38.862 -9.349  -28.883 1.00 14.14 ? 56  TYR B O   1 
ATOM   432  C CB  . TYR A 1 50  ? -39.591 -11.689 -26.760 1.00 15.05 ? 56  TYR B CB  1 
ATOM   433  C CG  . TYR A 1 50  ? -40.281 -13.037 -26.711 1.00 16.21 ? 56  TYR B CG  1 
ATOM   434  C CD1 . TYR A 1 50  ? -41.312 -13.241 -25.809 1.00 18.92 ? 56  TYR B CD1 1 
ATOM   435  C CD2 . TYR A 1 50  ? -39.975 -14.086 -27.579 1.00 17.26 ? 56  TYR B CD2 1 
ATOM   436  C CE1 . TYR A 1 50  ? -41.988 -14.457 -25.726 1.00 21.08 ? 56  TYR B CE1 1 
ATOM   437  C CE2 . TYR A 1 50  ? -40.661 -15.297 -27.532 1.00 19.18 ? 56  TYR B CE2 1 
ATOM   438  C CZ  . TYR A 1 50  ? -41.659 -15.484 -26.593 1.00 20.07 ? 56  TYR B CZ  1 
ATOM   439  O OH  . TYR A 1 50  ? -42.297 -16.696 -26.509 1.00 20.38 ? 56  TYR B OH  1 
ATOM   440  N N   . PRO A 1 51  ? -39.090 -8.561  -26.780 1.00 12.73 ? 57  PRO B N   1 
ATOM   441  C CA  . PRO A 1 51  ? -38.237 -7.402  -27.027 1.00 13.01 ? 57  PRO B CA  1 
ATOM   442  C C   . PRO A 1 51  ? -36.723 -7.719  -26.999 1.00 12.01 ? 57  PRO B C   1 
ATOM   443  O O   . PRO A 1 51  ? -35.956 -7.185  -26.198 1.00 12.58 ? 57  PRO B O   1 
ATOM   444  C CB  . PRO A 1 51  ? -38.632 -6.397  -25.904 1.00 15.03 ? 57  PRO B CB  1 
ATOM   445  C CG  . PRO A 1 51  ? -39.815 -7.025  -25.197 1.00 16.08 ? 57  PRO B CG  1 
ATOM   446  C CD  . PRO A 1 51  ? -39.765 -8.485  -25.495 1.00 14.40 ? 57  PRO B CD  1 
ATOM   447  N N   . MET A 1 52  ? -36.348 -8.602  -27.942 1.00 11.77 ? 58  MET B N   1 
ATOM   448  C CA  . MET A 1 52  ? -34.994 -9.201  -28.014 1.00 11.44 ? 58  MET B CA  1 
ATOM   449  C C   . MET A 1 52  ? -34.185 -8.629  -29.168 1.00 11.97 ? 58  MET B C   1 
ATOM   450  O O   . MET A 1 52  ? -34.709 -8.131  -30.186 1.00 12.14 ? 58  MET B O   1 
ATOM   451  C CB  . MET A 1 52  ? -35.102 -10.712 -28.183 1.00 12.01 ? 58  MET B CB  1 
ATOM   452  C CG  . MET A 1 52  ? -35.694 -11.413 -26.995 1.00 11.95 ? 58  MET B CG  1 
ATOM   453  S SD  . MET A 1 52  ? -36.176 -13.108 -27.406 1.00 13.83 ? 58  MET B SD  1 
ATOM   454  C CE  . MET A 1 52  ? -36.802 -13.771 -25.879 1.00 14.77 ? 58  MET B CE  1 
ATOM   455  N N   . VAL A 1 53  ? -32.858 -8.676  -29.014 1.00 11.55 ? 59  VAL B N   1 
ATOM   456  C CA  . VAL A 1 53  ? -31.886 -8.226  -30.032 1.00 12.03 ? 59  VAL B CA  1 
ATOM   457  C C   . VAL A 1 53  ? -30.587 -8.996  -29.809 1.00 12.74 ? 59  VAL B C   1 
ATOM   458  O O   . VAL A 1 53  ? -30.299 -9.401  -28.648 1.00 13.04 ? 59  VAL B O   1 
ATOM   459  C CB  . VAL A 1 53  ? -31.712 -6.694  -29.982 1.00 12.58 ? 59  VAL B CB  1 
ATOM   460  C CG1 . VAL A 1 53  ? -31.174 -6.197  -28.663 1.00 12.53 ? 59  VAL B CG1 1 
ATOM   461  C CG2 . VAL A 1 53  ? -30.822 -6.178  -31.110 1.00 12.69 ? 59  VAL B CG2 1 
ATOM   462  N N   . LEU A 1 54  ? -29.826 -9.179  -30.882 1.00 12.53 ? 60  LEU B N   1 
ATOM   463  C CA  . LEU A 1 54  ? -28.495 -9.823  -30.821 1.00 12.49 ? 60  LEU B CA  1 
ATOM   464  C C   . LEU A 1 54  ? -27.377 -8.826  -30.947 1.00 12.94 ? 60  LEU B C   1 
ATOM   465  O O   . LEU A 1 54  ? -27.503 -7.757  -31.626 1.00 13.76 ? 60  LEU B O   1 
ATOM   466  C CB  . LEU A 1 54  ? -28.340 -10.889 -31.894 1.00 13.13 ? 60  LEU B CB  1 
ATOM   467  C CG  . LEU A 1 54  ? -29.398 -11.961 -31.927 1.00 13.46 ? 60  LEU B CG  1 
ATOM   468  C CD1 . LEU A 1 54  ? -29.105 -13.054 -32.949 1.00 15.33 ? 60  LEU B CD1 1 
ATOM   469  C CD2 . LEU A 1 54  ? -29.608 -12.615 -30.576 1.00 13.22 ? 60  LEU B CD2 1 
ATOM   470  N N   . GLY A 1 55  ? -26.237 -9.156  -30.347 1.00 12.77 ? 61  GLY B N   1 
ATOM   471  C CA  . GLY A 1 55  ? -24.987 -8.475  -30.730 1.00 13.16 ? 61  GLY B CA  1 
ATOM   472  C C   . GLY A 1 55  ? -24.570 -8.813  -32.158 1.00 13.30 ? 61  GLY B C   1 
ATOM   473  O O   . GLY A 1 55  ? -24.916 -9.877  -32.662 1.00 13.92 ? 61  GLY B O   1 
ATOM   474  N N   . ALA A 1 56  ? -23.815 -7.921  -32.767 1.00 15.43 ? 62  ALA B N   1 
ATOM   475  C CA  . ALA A 1 56  ? -23.331 -8.104  -34.152 1.00 17.91 ? 62  ALA B CA  1 
ATOM   476  C C   . ALA A 1 56  ? -22.219 -9.154  -34.204 1.00 18.03 ? 62  ALA B C   1 
ATOM   477  O O   . ALA A 1 56  ? -22.060 -9.838  -35.235 1.00 20.84 ? 62  ALA B O   1 
ATOM   478  C CB  . ALA A 1 56  ? -22.875 -6.777  -34.665 1.00 19.38 ? 62  ALA B CB  1 
ATOM   479  N N   . GLN A 1 57  ? -21.466 -9.266  -33.121 1.00 16.77 ? 63  GLN B N   1 
ATOM   480  C CA  . GLN A 1 57  ? -20.254 -10.120 -33.096 1.00 16.86 ? 63  GLN B CA  1 
ATOM   481  C C   . GLN A 1 57  ? -20.684 -11.588 -33.093 1.00 17.67 ? 63  GLN B C   1 
ATOM   482  O O   . GLN A 1 57  ? -21.692 -11.973 -32.438 1.00 17.81 ? 63  GLN B O   1 
ATOM   483  C CB  . GLN A 1 57  ? -19.393 -9.752  -31.881 1.00 18.69 ? 63  GLN B CB  1 
ATOM   484  C CG  . GLN A 1 57  ? -18.706 -8.396  -31.953 1.00 20.60 ? 63  GLN B CG  1 
ATOM   485  C CD  . GLN A 1 57  ? -19.672 -7.232  -31.828 1.00 21.62 ? 63  GLN B CD  1 
ATOM   486  O OE1 . GLN A 1 57  ? -20.621 -7.299  -31.062 1.00 19.16 ? 63  GLN B OE1 1 
ATOM   487  N NE2 . GLN A 1 57  ? -19.434 -6.147  -32.536 1.00 23.21 ? 63  GLN B NE2 1 
ATOM   488  N N   . ARG A 1 58  ? -19.966 -12.436 -33.834 1.00 18.33 ? 64  ARG B N   1 
ATOM   489  C CA  . ARG A 1 58  ? -20.099 -13.903 -33.805 1.00 18.90 ? 64  ARG B CA  1 
ATOM   490  C C   . ARG A 1 58  ? -18.825 -14.522 -33.230 1.00 16.09 ? 64  ARG B C   1 
ATOM   491  O O   . ARG A 1 58  ? -17.725 -14.093 -33.599 1.00 19.53 ? 64  ARG B O   1 
ATOM   492  C CB  . ARG A 1 58  ? -20.241 -14.494 -35.222 1.00 23.21 ? 64  ARG B CB  1 
ATOM   493  C CG  . ARG A 1 58  ? -21.606 -14.372 -35.900 1.00 31.82 ? 64  ARG B CG  1 
ATOM   494  C CD  . ARG A 1 58  ? -22.131 -12.951 -35.849 1.00 33.56 ? 64  ARG B CD  1 
ATOM   495  N NE  . ARG A 1 58  ? -23.088 -12.323 -36.777 1.00 38.90 ? 64  ARG B NE  1 
ATOM   496  C CZ  . ARG A 1 58  ? -23.773 -12.879 -37.772 1.00 38.40 ? 64  ARG B CZ  1 
ATOM   497  N NH1 . ARG A 1 58  ? -24.593 -12.123 -38.481 1.00 42.89 ? 64  ARG B NH1 1 
ATOM   498  N NH2 . ARG A 1 58  ? -23.663 -14.152 -38.072 1.00 39.58 ? 64  ARG B NH2 1 
ATOM   499  N N   . PHE A 1 59  ? -18.967 -15.475 -32.344 1.00 15.90 ? 65  PHE B N   1 
ATOM   500  C CA  . PHE A 1 59  ? -17.807 -16.115 -31.651 1.00 16.37 ? 65  PHE B CA  1 
ATOM   501  C C   . PHE A 1 59  ? -17.854 -17.614 -31.926 1.00 15.34 ? 65  PHE B C   1 
ATOM   502  O O   . PHE A 1 59  ? -18.882 -18.259 -31.703 1.00 14.91 ? 65  PHE B O   1 
ATOM   503  C CB  . PHE A 1 59  ? -17.908 -15.849 -30.129 1.00 18.57 ? 65  PHE B CB  1 
ATOM   504  C CG  . PHE A 1 59  ? -17.895 -14.379 -29.755 1.00 19.76 ? 65  PHE B CG  1 
ATOM   505  C CD1 . PHE A 1 59  ? -16.903 -13.552 -30.255 1.00 22.95 ? 65  PHE B CD1 1 
ATOM   506  C CD2 . PHE A 1 59  ? -18.871 -13.824 -28.970 1.00 28.89 ? 65  PHE B CD2 1 
ATOM   507  C CE1 . PHE A 1 59  ? -16.855 -12.199 -29.951 1.00 27.15 ? 65  PHE B CE1 1 
ATOM   508  C CE2 . PHE A 1 59  ? -18.807 -12.475 -28.630 1.00 22.50 ? 65  PHE B CE2 1 
ATOM   509  C CZ  . PHE A 1 59  ? -17.844 -11.674 -29.168 1.00 23.61 ? 65  PHE B CZ  1 
ATOM   510  N N   A SER A 1 60  ? -16.739 -18.189 -32.400 0.25 15.60 ? 66  SER B N   1 
ATOM   511  N N   B SER A 1 60  ? -16.742 -18.183 -32.416 0.25 15.74 ? 66  SER B N   1 
ATOM   512  C CA  A SER A 1 60  ? -16.640 -19.639 -32.716 0.25 16.03 ? 66  SER B CA  1 
ATOM   513  C CA  B SER A 1 60  ? -16.607 -19.637 -32.700 0.25 16.32 ? 66  SER B CA  1 
ATOM   514  C C   A SER A 1 60  ? -15.425 -20.278 -32.018 0.25 15.48 ? 66  SER B C   1 
ATOM   515  C C   B SER A 1 60  ? -15.320 -20.192 -32.092 0.25 16.11 ? 66  SER B C   1 
ATOM   516  O O   A SER A 1 60  ? -15.300 -21.525 -32.088 0.25 14.85 ? 66  SER B O   1 
ATOM   517  O O   B SER A 1 60  ? -14.910 -21.290 -32.492 0.25 15.37 ? 66  SER B O   1 
ATOM   518  C CB  A SER A 1 60  ? -16.652 -19.857 -34.219 0.25 16.47 ? 66  SER B CB  1 
ATOM   519  C CB  B SER A 1 60  ? -16.612 -19.900 -34.170 0.25 16.52 ? 66  SER B CB  1 
ATOM   520  O OG  A SER A 1 60  ? -17.995 -19.751 -34.733 0.25 17.48 ? 66  SER B OG  1 
ATOM   521  O OG  B SER A 1 60  ? -15.553 -19.203 -34.779 0.25 17.19 ? 66  SER B OG  1 
ATOM   522  N N   A SER A 1 61  ? -14.623 -19.481 -31.303 0.25 15.32 ? 67  SER B N   1 
ATOM   523  N N   B SER A 1 61  ? -14.694 -19.461 -31.180 0.25 16.98 ? 67  SER B N   1 
ATOM   524  C CA  A SER A 1 61  ? -13.433 -19.946 -30.548 0.25 16.05 ? 67  SER B CA  1 
ATOM   525  C CA  B SER A 1 61  ? -13.443 -19.910 -30.539 0.25 18.30 ? 67  SER B CA  1 
ATOM   526  C C   A SER A 1 61  ? -13.112 -18.971 -29.412 0.25 16.94 ? 67  SER B C   1 
ATOM   527  C C   B SER A 1 61  ? -13.021 -18.907 -29.473 0.25 18.21 ? 67  SER B C   1 
ATOM   528  O O   A SER A 1 61  ? -13.700 -17.888 -29.390 0.25 16.93 ? 67  SER B O   1 
ATOM   529  O O   B SER A 1 61  ? -13.419 -17.728 -29.596 0.25 17.02 ? 67  SER B O   1 
ATOM   530  C CB  A SER A 1 61  ? -12.244 -20.089 -31.490 0.25 16.45 ? 67  SER B CB  1 
ATOM   531  C CB  B SER A 1 61  ? -12.370 -20.074 -31.593 0.25 20.27 ? 67  SER B CB  1 
ATOM   532  O OG  A SER A 1 61  ? -11.801 -18.818 -31.930 0.25 15.81 ? 67  SER B OG  1 
ATOM   533  O OG  B SER A 1 61  ? -11.165 -20.499 -30.989 0.25 23.42 ? 67  SER B OG  1 
ATOM   534  N N   . GLY A 1 62  ? -12.186 -19.347 -28.528 1.00 17.96 ? 68  GLY B N   1 
ATOM   535  C CA  . GLY A 1 62  ? -11.562 -18.412 -27.579 1.00 20.27 ? 68  GLY B CA  1 
ATOM   536  C C   . GLY A 1 62  ? -12.423 -18.071 -26.373 1.00 16.44 ? 68  GLY B C   1 
ATOM   537  O O   . GLY A 1 62  ? -13.456 -18.714 -26.104 1.00 17.55 ? 68  GLY B O   1 
ATOM   538  N N   . LYS A 1 63  ? -11.916 -17.081 -25.660 1.00 16.47 ? 69  LYS B N   1 
ATOM   539  C CA  . LYS A 1 63  ? -12.498 -16.585 -24.418 1.00 16.58 ? 69  LYS B CA  1 
ATOM   540  C C   . LYS A 1 63  ? -12.921 -15.144 -24.682 1.00 15.63 ? 69  LYS B C   1 
ATOM   541  O O   . LYS A 1 63  ? -12.139 -14.333 -25.174 1.00 17.76 ? 69  LYS B O   1 
ATOM   542  C CB  . LYS A 1 63  ? -11.473 -16.730 -23.302 1.00 17.94 ? 69  LYS B CB  1 
ATOM   543  C CG  . LYS A 1 63  ? -11.093 -18.164 -22.940 1.00 18.85 ? 69  LYS B CG  1 
ATOM   544  C CD  . LYS A 1 63  ? -9.930  -18.244 -21.886 1.00 22.49 ? 69  LYS B CD  1 
ATOM   545  C CE  . LYS A 1 63  ? -9.645  -19.639 -21.382 1.00 25.82 ? 69  LYS B CE  1 
ATOM   546  N NZ  . LYS A 1 63  ? -8.559  -19.608 -20.369 1.00 28.64 ? 69  LYS B NZ  1 
ATOM   547  N N   . MET A 1 64  ? -14.129 -14.805 -24.240 1.00 15.78 ? 70  MET B N   1 
ATOM   548  C CA  . MET A 1 64  ? -14.767 -13.481 -24.437 1.00 15.49 ? 70  MET B CA  1 
ATOM   549  C C   . MET A 1 64  ? -15.452 -13.037 -23.153 1.00 14.31 ? 70  MET B C   1 
ATOM   550  O O   . MET A 1 64  ? -16.019 -13.859 -22.454 1.00 15.53 ? 70  MET B O   1 
ATOM   551  C CB  . MET A 1 64  ? -15.892 -13.582 -25.449 1.00 16.46 ? 70  MET B CB  1 
ATOM   552  C CG  . MET A 1 64  ? -15.441 -13.737 -26.877 1.00 17.23 ? 70  MET B CG  1 
ATOM   553  S SD  . MET A 1 64  ? -14.684 -15.320 -27.433 1.00 19.47 ? 70  MET B SD  1 
ATOM   554  C CE  . MET A 1 64  ? -15.883 -16.555 -26.993 1.00 18.45 ? 70  MET B CE  1 
ATOM   555  N N   . TYR A 1 65  ? -15.402 -11.759 -22.852 1.00 14.27 ? 71  TYR B N   1 
ATOM   556  C CA  . TYR A 1 65  ? -15.995 -11.172 -21.617 1.00 14.45 ? 71  TYR B CA  1 
ATOM   557  C C   . TYR A 1 65  ? -16.605 -9.832  -22.000 1.00 15.63 ? 71  TYR B C   1 
ATOM   558  O O   . TYR A 1 65  ? -15.965 -9.007  -22.718 1.00 16.00 ? 71  TYR B O   1 
ATOM   559  C CB  . TYR A 1 65  ? -14.935 -10.989 -20.525 1.00 16.12 ? 71  TYR B CB  1 
ATOM   560  C CG  . TYR A 1 65  ? -15.444 -10.385 -19.245 1.00 15.41 ? 71  TYR B CG  1 
ATOM   561  C CD1 . TYR A 1 65  ? -16.187 -11.142 -18.354 1.00 15.59 ? 71  TYR B CD1 1 
ATOM   562  C CD2 . TYR A 1 65  ? -15.259 -9.035  -18.980 1.00 15.74 ? 71  TYR B CD2 1 
ATOM   563  C CE1 . TYR A 1 65  ? -16.717 -10.593 -17.192 1.00 16.54 ? 71  TYR B CE1 1 
ATOM   564  C CE2 . TYR A 1 65  ? -15.784 -8.471  -17.822 1.00 15.12 ? 71  TYR B CE2 1 
ATOM   565  C CZ  . TYR A 1 65  ? -16.503 -9.241  -16.937 1.00 15.81 ? 71  TYR B CZ  1 
ATOM   566  O OH  . TYR A 1 65  ? -16.986 -8.660  -15.815 1.00 17.46 ? 71  TYR B OH  1 
ATOM   567  N N   . TRP A 1 66  ? -17.805 -9.566  -21.514 1.00 13.16 ? 72  TRP B N   1 
ATOM   568  C CA  . TRP A 1 66  ? -18.389 -8.210  -21.613 1.00 13.33 ? 72  TRP B CA  1 
ATOM   569  C C   . TRP A 1 66  ? -19.291 -7.943  -20.395 1.00 13.42 ? 72  TRP B C   1 
ATOM   570  O O   . TRP A 1 66  ? -19.618 -8.886  -19.631 1.00 14.23 ? 72  TRP B O   1 
ATOM   571  C CB  . TRP A 1 66  ? -19.151 -8.008  -22.948 1.00 13.89 ? 72  TRP B CB  1 
ATOM   572  C CG  . TRP A 1 66  ? -20.324 -8.897  -23.204 1.00 13.50 ? 72  TRP B CG  1 
ATOM   573  C CD1 . TRP A 1 66  ? -21.657 -8.611  -22.982 1.00 13.69 ? 72  TRP B CD1 1 
ATOM   574  C CD2 . TRP A 1 66  ? -20.320 -10.217 -23.752 1.00 13.79 ? 72  TRP B CD2 1 
ATOM   575  N NE1 . TRP A 1 66  ? -22.443 -9.662  -23.391 1.00 13.64 ? 72  TRP B NE1 1 
ATOM   576  C CE2 . TRP A 1 66  ? -21.648 -10.668 -23.852 1.00 14.16 ? 72  TRP B CE2 1 
ATOM   577  C CE3 . TRP A 1 66  ? -19.292 -11.077 -24.162 1.00 15.60 ? 72  TRP B CE3 1 
ATOM   578  C CZ2 . TRP A 1 66  ? -21.983 -11.913 -24.346 1.00 14.67 ? 72  TRP B CZ2 1 
ATOM   579  C CZ3 . TRP A 1 66  ? -19.619 -12.311 -24.664 1.00 17.90 ? 72  TRP B CZ3 1 
ATOM   580  C CH2 . TRP A 1 66  ? -20.940 -12.737 -24.732 1.00 16.11 ? 72  TRP B CH2 1 
ATOM   581  N N   . GLU A 1 67  ? -19.693 -6.681  -20.218 1.00 13.38 ? 73  GLU B N   1 
ATOM   582  C CA  . GLU A 1 67  ? -20.527 -6.252  -19.078 1.00 13.28 ? 73  GLU B CA  1 
ATOM   583  C C   . GLU A 1 67  ? -21.745 -5.481  -19.572 1.00 12.53 ? 73  GLU B C   1 
ATOM   584  O O   . GLU A 1 67  ? -21.652 -4.746  -20.538 1.00 14.25 ? 73  GLU B O   1 
ATOM   585  C CB  . GLU A 1 67  ? -19.725 -5.399  -18.093 1.00 15.00 ? 73  GLU B CB  1 
ATOM   586  C CG  . GLU A 1 67  ? -18.619 -6.216  -17.431 1.00 17.63 ? 73  GLU B CG  1 
ATOM   587  C CD  . GLU A 1 67  ? -17.755 -5.450  -16.451 1.00 21.95 ? 73  GLU B CD  1 
ATOM   588  O OE1 . GLU A 1 67  ? -17.929 -4.182  -16.358 1.00 25.51 ? 73  GLU B OE1 1 
ATOM   589  O OE2 . GLU A 1 67  ? -16.948 -6.130  -15.699 1.00 20.03 ? 73  GLU B OE2 1 
ATOM   590  N N   . VAL A 1 68  ? -22.850 -5.681  -18.868 1.00 13.66 ? 74  VAL B N   1 
ATOM   591  C CA  . VAL A 1 68  ? -24.137 -5.041  -19.182 1.00 12.81 ? 74  VAL B CA  1 
ATOM   592  C C   . VAL A 1 68  ? -24.700 -4.354  -17.933 1.00 11.96 ? 74  VAL B C   1 
ATOM   593  O O   . VAL A 1 68  ? -24.820 -4.998  -16.891 1.00 14.00 ? 74  VAL B O   1 
ATOM   594  C CB  . VAL A 1 68  ? -25.142 -6.047  -19.745 1.00 12.67 ? 74  VAL B CB  1 
ATOM   595  C CG1 . VAL A 1 68  ? -26.385 -5.331  -20.214 1.00 13.99 ? 74  VAL B CG1 1 
ATOM   596  C CG2 . VAL A 1 68  ? -24.528 -6.915  -20.830 1.00 14.04 ? 74  VAL B CG2 1 
ATOM   597  N N   . ASP A 1 69  ? -25.147 -3.116  -18.117 1.00 13.08 ? 75  ASP B N   1 
ATOM   598  C CA  . ASP A 1 69  ? -25.815 -2.317  -17.065 1.00 14.44 ? 75  ASP B CA  1 
ATOM   599  C C   . ASP A 1 69  ? -27.305 -2.595  -17.110 1.00 12.92 ? 75  ASP B C   1 
ATOM   600  O O   . ASP A 1 69  ? -27.932 -2.501  -18.232 1.00 13.62 ? 75  ASP B O   1 
ATOM   601  C CB  . ASP A 1 69  ? -25.527 -0.820  -17.253 1.00 16.73 ? 75  ASP B CB  1 
ATOM   602  C CG  . ASP A 1 69  ? -25.942 0.008   -16.031 1.00 19.41 ? 75  ASP B CG  1 
ATOM   603  O OD1 . ASP A 1 69  ? -27.099 0.013   -15.690 1.00 18.94 ? 75  ASP B OD1 1 
ATOM   604  O OD2 . ASP A 1 69  ? -25.043 0.446   -15.282 1.00 25.65 ? 75  ASP B OD2 1 
ATOM   605  N N   . VAL A 1 70  ? -27.871 -3.022  -15.978 1.00 13.41 ? 76  VAL B N   1 
ATOM   606  C CA  . VAL A 1 70  ? -29.311 -3.349  -15.797 1.00 13.96 ? 76  VAL B CA  1 
ATOM   607  C C   . VAL A 1 70  ? -29.988 -2.446  -14.751 1.00 14.80 ? 76  VAL B C   1 
ATOM   608  O O   . VAL A 1 70  ? -31.066 -2.787  -14.274 1.00 14.83 ? 76  VAL B O   1 
ATOM   609  C CB  . VAL A 1 70  ? -29.471 -4.858  -15.478 1.00 13.08 ? 76  VAL B CB  1 
ATOM   610  C CG1 . VAL A 1 70  ? -28.875 -5.771  -16.591 1.00 13.24 ? 76  VAL B CG1 1 
ATOM   611  C CG2 . VAL A 1 70  ? -28.851 -5.245  -14.139 1.00 14.46 ? 76  VAL B CG2 1 
ATOM   612  N N   . THR A 1 71  ? -29.346 -1.344  -14.384 1.00 15.08 ? 77  THR B N   1 
ATOM   613  C CA  . THR A 1 71  ? -29.845 -0.408  -13.361 1.00 16.52 ? 77  THR B CA  1 
ATOM   614  C C   . THR A 1 71  ? -31.341 -0.126  -13.558 1.00 16.35 ? 77  THR B C   1 
ATOM   615  O O   . THR A 1 71  ? -31.765 0.242   -14.684 1.00 16.04 ? 77  THR B O   1 
ATOM   616  C CB  . THR A 1 71  ? -29.068 0.902   -13.389 1.00 17.39 ? 77  THR B CB  1 
ATOM   617  O OG1 . THR A 1 71  ? -27.688 0.656   -13.104 1.00 19.96 ? 77  THR B OG1 1 
ATOM   618  C CG2 . THR A 1 71  ? -29.663 1.827   -12.342 1.00 20.76 ? 77  THR B CG2 1 
ATOM   619  N N   . GLN A 1 72  ? -32.072 -0.259  -12.454 1.00 18.97 ? 78  GLN B N   1 
ATOM   620  C CA  . GLN A 1 72  ? -33.507 0.059   -12.221 1.00 21.66 ? 78  GLN B CA  1 
ATOM   621  C C   . GLN A 1 72  ? -34.448 -0.740  -13.111 1.00 21.65 ? 78  GLN B C   1 
ATOM   622  O O   . GLN A 1 72  ? -35.655 -0.444  -13.107 1.00 25.28 ? 78  GLN B O   1 
ATOM   623  C CB  . GLN A 1 72  ? -33.760 1.564   -12.328 1.00 28.88 ? 78  GLN B CB  1 
ATOM   624  C CG  . GLN A 1 72  ? -33.573 2.178   -13.710 1.00 35.81 ? 78  GLN B CG  1 
ATOM   625  C CD  . GLN A 1 72  ? -34.595 3.255   -14.020 1.00 40.37 ? 78  GLN B CD  1 
ATOM   626  O OE1 . GLN A 1 72  ? -34.275 4.311   -14.571 1.00 47.00 ? 78  GLN B OE1 1 
ATOM   627  N NE2 . GLN A 1 72  ? -35.860 2.953   -13.752 1.00 44.58 ? 78  GLN B NE2 1 
ATOM   628  N N   . LYS A 1 73  ? -34.005 -1.769  -13.831 1.00 15.06 ? 79  LYS B N   1 
ATOM   629  C CA  . LYS A 1 73  ? -34.977 -2.604  -14.545 1.00 13.71 ? 79  LYS B CA  1 
ATOM   630  C C   . LYS A 1 73  ? -35.657 -3.643  -13.653 1.00 12.80 ? 79  LYS B C   1 
ATOM   631  O O   . LYS A 1 73  ? -35.009 -4.186  -12.698 1.00 14.95 ? 79  LYS B O   1 
ATOM   632  C CB  . LYS A 1 73  ? -34.236 -3.300  -15.677 1.00 13.78 ? 79  LYS B CB  1 
ATOM   633  C CG  . LYS A 1 73  ? -33.801 -2.324  -16.795 1.00 14.30 ? 79  LYS B CG  1 
ATOM   634  C CD  . LYS A 1 73  ? -33.303 -2.964  -18.081 1.00 15.13 ? 79  LYS B CD  1 
ATOM   635  C CE  . LYS A 1 73  ? -34.372 -3.695  -18.858 1.00 14.10 ? 79  LYS B CE  1 
ATOM   636  N NZ  . LYS A 1 73  ? -35.582 -2.877  -19.155 1.00 13.37 ? 79  LYS B NZ  1 
ATOM   637  N N   . GLU A 1 74  ? -36.888 -3.957  -13.966 1.00 12.31 ? 80  GLU B N   1 
ATOM   638  C CA  . GLU A 1 74  ? -37.697 -4.975  -13.271 1.00 12.61 ? 80  GLU B CA  1 
ATOM   639  C C   . GLU A 1 74  ? -37.626 -6.339  -13.962 1.00 12.59 ? 80  GLU B C   1 
ATOM   640  O O   . GLU A 1 74  ? -37.981 -7.357  -13.362 1.00 13.47 ? 80  GLU B O   1 
ATOM   641  C CB  . GLU A 1 74  ? -39.180 -4.563  -13.260 1.00 13.32 ? 80  GLU B CB  1 
ATOM   642  C CG  . GLU A 1 74  ? -39.465 -3.303  -12.466 1.00 14.78 ? 80  GLU B CG  1 
ATOM   643  C CD  . GLU A 1 74  ? -40.942 -2.894  -12.561 1.00 14.73 ? 80  GLU B CD  1 
ATOM   644  O OE1 . GLU A 1 74  ? -41.339 -2.053  -11.753 1.00 17.91 ? 80  GLU B OE1 1 
ATOM   645  O OE2 . GLU A 1 74  ? -41.666 -3.414  -13.454 1.00 17.32 ? 80  GLU B OE2 1 
ATOM   646  N N   . ALA A 1 75  ? -37.240 -6.381  -15.233 1.00 12.11 ? 81  ALA B N   1 
ATOM   647  C CA  . ALA A 1 75  ? -37.283 -7.631  -16.008 1.00 11.71 ? 81  ALA B CA  1 
ATOM   648  C C   . ALA A 1 75  ? -36.302 -7.505  -17.170 1.00 12.98 ? 81  ALA B C   1 
ATOM   649  O O   . ALA A 1 75  ? -36.271 -6.451  -17.835 1.00 12.63 ? 81  ALA B O   1 
ATOM   650  C CB  . ALA A 1 75  ? -38.662 -7.949  -16.519 1.00 13.53 ? 81  ALA B CB  1 
ATOM   651  N N   . TRP A 1 76  ? -35.579 -8.596  -17.471 1.00 11.67 ? 82  TRP B N   1 
ATOM   652  C CA  . TRP A 1 76  ? -34.592 -8.658  -18.587 1.00 11.88 ? 82  TRP B CA  1 
ATOM   653  C C   . TRP A 1 76  ? -34.094 -10.081 -18.662 1.00 12.40 ? 82  TRP B C   1 
ATOM   654  O O   . TRP A 1 76  ? -34.196 -10.828 -17.684 1.00 12.17 ? 82  TRP B O   1 
ATOM   655  C CB  . TRP A 1 76  ? -33.434 -7.677  -18.372 1.00 12.56 ? 82  TRP B CB  1 
ATOM   656  C CG  . TRP A 1 76  ? -32.738 -7.713  -17.047 1.00 12.15 ? 82  TRP B CG  1 
ATOM   657  C CD1 . TRP A 1 76  ? -32.980 -6.881  -15.993 1.00 13.31 ? 82  TRP B CD1 1 
ATOM   658  C CD2 . TRP A 1 76  ? -31.791 -8.673  -16.517 1.00 12.69 ? 82  TRP B CD2 1 
ATOM   659  N NE1 . TRP A 1 76  ? -32.190 -7.164  -14.923 1.00 13.68 ? 82  TRP B NE1 1 
ATOM   660  C CE2 . TRP A 1 76  ? -31.484 -8.309  -15.211 1.00 13.43 ? 82  TRP B CE2 1 
ATOM   661  C CE3 . TRP A 1 76  ? -31.159 -9.818  -17.057 1.00 13.37 ? 82  TRP B CE3 1 
ATOM   662  C CZ2 . TRP A 1 76  ? -30.567 -8.960  -14.398 1.00 12.64 ? 82  TRP B CZ2 1 
ATOM   663  C CZ3 . TRP A 1 76  ? -30.281 -10.513 -16.246 1.00 13.39 ? 82  TRP B CZ3 1 
ATOM   664  C CH2 . TRP A 1 76  ? -29.978 -10.070 -14.956 1.00 13.58 ? 82  TRP B CH2 1 
ATOM   665  N N   . ASP A 1 77  ? -33.569 -10.437 -19.829 1.00 11.82 ? 83  ASP B N   1 
ATOM   666  C CA  . ASP A 1 77  ? -32.809 -11.703 -20.058 1.00 12.42 ? 83  ASP B CA  1 
ATOM   667  C C   . ASP A 1 77  ? -31.444 -11.302 -20.630 1.00 11.23 ? 83  ASP B C   1 
ATOM   668  O O   . ASP A 1 77  ? -31.404 -10.391 -21.468 1.00 12.19 ? 83  ASP B O   1 
ATOM   669  C CB  . ASP A 1 77  ? -33.477 -12.655 -21.026 1.00 13.18 ? 83  ASP B CB  1 
ATOM   670  C CG  . ASP A 1 77  ? -34.954 -12.893 -20.867 1.00 14.72 ? 83  ASP B CG  1 
ATOM   671  O OD1 . ASP A 1 77  ? -35.419 -12.891 -19.754 1.00 17.95 ? 83  ASP B OD1 1 
ATOM   672  O OD2 . ASP A 1 77  ? -35.647 -13.057 -21.915 1.00 15.67 ? 83  ASP B OD2 1 
ATOM   673  N N   . LEU A 1 78  ? -30.370 -11.993 -20.262 1.00 10.60 ? 84  LEU B N   1 
ATOM   674  C CA  . LEU A 1 78  ? -29.019 -11.752 -20.789 1.00 10.66 ? 84  LEU B CA  1 
ATOM   675  C C   . LEU A 1 78  ? -28.309 -13.085 -20.965 1.00 10.86 ? 84  LEU B C   1 
ATOM   676  O O   . LEU A 1 78  ? -28.428 -13.986 -20.118 1.00 11.29 ? 84  LEU B O   1 
ATOM   677  C CB  . LEU A 1 78  ? -28.225 -10.896 -19.811 1.00 11.18 ? 84  LEU B CB  1 
ATOM   678  C CG  . LEU A 1 78  ? -28.545 -9.418  -19.714 1.00 12.68 ? 84  LEU B CG  1 
ATOM   679  C CD1 . LEU A 1 78  ? -27.693 -8.802  -18.617 1.00 13.53 ? 84  LEU B CD1 1 
ATOM   680  C CD2 . LEU A 1 78  ? -28.309 -8.723  -21.025 1.00 13.19 ? 84  LEU B CD2 1 
ATOM   681  N N   . GLY A 1 79  ? -27.463 -13.119 -21.993 1.00 10.51 ? 85  GLY B N   1 
ATOM   682  C CA  . GLY A 1 79  ? -26.487 -14.208 -22.134 1.00 12.73 ? 85  GLY B CA  1 
ATOM   683  C C   . GLY A 1 79  ? -25.950 -14.297 -23.543 1.00 10.75 ? 85  GLY B C   1 
ATOM   684  O O   . GLY A 1 79  ? -25.582 -13.290 -24.150 1.00 11.06 ? 85  GLY B O   1 
ATOM   685  N N   A VAL A 1 80  ? -25.884 -15.525 -24.068 0.25 11.18 ? 86  VAL B N   1 
ATOM   686  N N   B VAL A 1 80  ? -25.973 -15.496 -24.107 0.24 11.49 ? 86  VAL B N   1 
ATOM   687  C CA  A VAL A 1 80  ? -25.479 -15.828 -25.469 0.25 11.02 ? 86  VAL B CA  1 
ATOM   688  C CA  B VAL A 1 80  ? -25.391 -15.782 -25.442 0.24 11.64 ? 86  VAL B CA  1 
ATOM   689  C C   A VAL A 1 80  ? -26.479 -16.797 -26.082 0.25 11.18 ? 86  VAL B C   1 
ATOM   690  C C   B VAL A 1 80  ? -26.284 -16.862 -26.074 0.24 11.56 ? 86  VAL B C   1 
ATOM   691  O O   A VAL A 1 80  ? -27.207 -17.507 -25.360 0.25 11.65 ? 86  VAL B O   1 
ATOM   692  O O   B VAL A 1 80  ? -26.854 -17.654 -25.317 0.24 11.98 ? 86  VAL B O   1 
ATOM   693  C CB  A VAL A 1 80  ? -24.069 -16.434 -25.605 0.25 11.07 ? 86  VAL B CB  1 
ATOM   694  C CB  B VAL A 1 80  ? -23.902 -16.164 -25.270 0.24 12.40 ? 86  VAL B CB  1 
ATOM   695  C CG1 A VAL A 1 80  ? -23.023 -15.422 -25.207 0.25 10.85 ? 86  VAL B CG1 1 
ATOM   696  C CG1 B VAL A 1 80  ? -23.743 -17.524 -24.616 0.24 12.16 ? 86  VAL B CG1 1 
ATOM   697  C CG2 A VAL A 1 80  ? -23.911 -17.714 -24.798 0.25 10.92 ? 86  VAL B CG2 1 
ATOM   698  C CG2 B VAL A 1 80  ? -23.106 -16.089 -26.555 0.24 12.77 ? 86  VAL B CG2 1 
ATOM   699  N N   . CYS A 1 81  ? -26.456 -16.868 -27.401 1.00 11.46 ? 87  CYS B N   1 
ATOM   700  C CA  . CYS A 1 81  ? -27.266 -17.855 -28.089 1.00 12.42 ? 87  CYS B CA  1 
ATOM   701  C C   . CYS A 1 81  ? -26.591 -18.266 -29.378 1.00 12.19 ? 87  CYS B C   1 
ATOM   702  O O   . CYS A 1 81  ? -25.711 -17.527 -29.902 1.00 11.77 ? 87  CYS B O   1 
ATOM   703  C CB  . CYS A 1 81  ? -28.667 -17.315 -28.355 1.00 12.76 ? 87  CYS B CB  1 
ATOM   704  S SG  . CYS A 1 81  ? -28.758 -15.911 -29.486 1.00 13.82 ? 87  CYS B SG  1 
ATOM   705  N N   A ARG A 1 82  ? -27.028 -19.390 -29.919 0.25 12.48 ? 88  ARG B N   1 
ATOM   706  N N   B ARG A 1 82  ? -27.018 -19.403 -29.917 0.24 11.81 ? 88  ARG B N   1 
ATOM   707  C CA  A ARG A 1 82  ? -26.603 -19.787 -31.282 0.25 13.62 ? 88  ARG B CA  1 
ATOM   708  C CA  B ARG A 1 82  ? -26.579 -19.870 -31.262 0.24 12.42 ? 88  ARG B CA  1 
ATOM   709  C C   A ARG A 1 82  ? -27.034 -18.732 -32.298 0.25 12.68 ? 88  ARG B C   1 
ATOM   710  C C   B ARG A 1 82  ? -27.090 -18.895 -32.346 0.24 12.26 ? 88  ARG B C   1 
ATOM   711  O O   A ARG A 1 82  ? -28.083 -18.109 -32.160 0.25 12.38 ? 88  ARG B O   1 
ATOM   712  O O   B ARG A 1 82  ? -28.279 -18.485 -32.288 0.24 12.07 ? 88  ARG B O   1 
ATOM   713  C CB  A ARG A 1 82  ? -27.235 -21.114 -31.679 0.25 15.28 ? 88  ARG B CB  1 
ATOM   714  C CB  B ARG A 1 82  ? -27.089 -21.300 -31.485 0.24 12.96 ? 88  ARG B CB  1 
ATOM   715  C CG  A ARG A 1 82  ? -26.781 -22.238 -30.774 0.25 16.04 ? 88  ARG B CG  1 
ATOM   716  C CG  B ARG A 1 82  ? -26.413 -22.031 -32.637 0.24 12.40 ? 88  ARG B CG  1 
ATOM   717  C CD  A ARG A 1 82  ? -27.258 -23.571 -31.284 0.25 17.96 ? 88  ARG B CD  1 
ATOM   718  C CD  B ARG A 1 82  ? -26.985 -23.408 -32.893 0.24 12.43 ? 88  ARG B CD  1 
ATOM   719  N NE  A ARG A 1 82  ? -26.990 -24.616 -30.306 0.25 17.63 ? 88  ARG B NE  1 
ATOM   720  N NE  B ARG A 1 82  ? -26.862 -24.235 -31.706 0.24 12.63 ? 88  ARG B NE  1 
ATOM   721  C CZ  A ARG A 1 82  ? -27.843 -25.568 -29.965 0.25 17.72 ? 88  ARG B CZ  1 
ATOM   722  C CZ  B ARG A 1 82  ? -27.876 -24.803 -31.039 0.24 12.20 ? 88  ARG B CZ  1 
ATOM   723  N NH1 A ARG A 1 82  ? -29.050 -25.611 -30.503 0.25 16.93 ? 88  ARG B NH1 1 
ATOM   724  N NH1 B ARG A 1 82  ? -29.116 -24.722 -31.469 0.24 13.74 ? 88  ARG B NH1 1 
ATOM   725  N NH2 A ARG A 1 82  ? -27.482 -26.468 -29.067 0.25 19.93 ? 88  ARG B NH2 1 
ATOM   726  N NH2 B ARG A 1 82  ? -27.626 -25.491 -29.942 0.24 12.29 ? 88  ARG B NH2 1 
ATOM   727  N N   . ASP A 1 83  ? -26.255 -18.587 -33.349 1.00 13.60 ? 89  ASP B N   1 
ATOM   728  C CA  . ASP A 1 83  ? -26.659 -17.678 -34.439 1.00 14.80 ? 89  ASP B CA  1 
ATOM   729  C C   . ASP A 1 83  ? -27.958 -18.204 -35.054 1.00 16.80 ? 89  ASP B C   1 
ATOM   730  O O   . ASP A 1 83  ? -28.688 -17.370 -35.637 1.00 19.38 ? 89  ASP B O   1 
ATOM   731  C CB  . ASP A 1 83  ? -25.509 -17.604 -35.439 1.00 16.84 ? 89  ASP B CB  1 
ATOM   732  C CG  . ASP A 1 83  ? -25.155 -18.873 -36.168 1.00 19.91 ? 89  ASP B CG  1 
ATOM   733  O OD1 . ASP A 1 83  ? -25.642 -19.981 -35.797 1.00 23.06 ? 89  ASP B OD1 1 
ATOM   734  O OD2 . ASP A 1 83  ? -24.357 -18.724 -37.152 1.00 22.63 ? 89  ASP B OD2 1 
ATOM   735  N N   . SER A 1 84  ? -28.269 -19.501 -35.013 1.00 14.69 ? 90  SER B N   1 
ATOM   736  C CA  . SER A 1 84  ? -29.440 -20.056 -35.742 1.00 17.33 ? 90  SER B CA  1 
ATOM   737  C C   . SER A 1 84  ? -30.687 -20.218 -34.855 1.00 15.61 ? 90  SER B C   1 
ATOM   738  O O   . SER A 1 84  ? -31.590 -20.927 -35.233 1.00 16.70 ? 90  SER B O   1 
ATOM   739  C CB  . SER A 1 84  ? -29.044 -21.364 -36.352 1.00 19.02 ? 90  SER B CB  1 
ATOM   740  O OG  . SER A 1 84  ? -28.574 -22.229 -35.406 1.00 19.24 ? 90  SER B OG  1 
ATOM   741  N N   . VAL A 1 85  ? -30.753 -19.555 -33.699 1.00 14.48 ? 91  VAL B N   1 
ATOM   742  C CA  . VAL A 1 85  ? -31.979 -19.650 -32.866 1.00 14.41 ? 91  VAL B CA  1 
ATOM   743  C C   . VAL A 1 85  ? -33.188 -19.175 -33.680 1.00 13.95 ? 91  VAL B C   1 
ATOM   744  O O   . VAL A 1 85  ? -33.079 -18.239 -34.494 1.00 15.26 ? 91  VAL B O   1 
ATOM   745  C CB  . VAL A 1 85  ? -31.874 -18.906 -31.513 1.00 13.93 ? 91  VAL B CB  1 
ATOM   746  C CG1 . VAL A 1 85  ? -30.856 -19.586 -30.623 1.00 13.21 ? 91  VAL B CG1 1 
ATOM   747  C CG2 . VAL A 1 85  ? -31.655 -17.430 -31.645 1.00 13.77 ? 91  VAL B CG2 1 
ATOM   748  N N   . GLN A 1 86  ? -34.310 -19.762 -33.326 1.00 15.41 ? 92  GLN B N   1 
ATOM   749  C CA  . GLN A 1 86  ? -35.668 -19.346 -33.800 1.00 17.28 ? 92  GLN B CA  1 
ATOM   750  C C   . GLN A 1 86  ? -35.877 -17.855 -33.504 1.00 15.86 ? 92  GLN B C   1 
ATOM   751  O O   . GLN A 1 86  ? -35.562 -17.403 -32.407 1.00 16.44 ? 92  GLN B O   1 
ATOM   752  C CB  . GLN A 1 86  ? -36.681 -20.199 -33.048 1.00 19.87 ? 92  GLN B CB  1 
ATOM   753  C CG  . GLN A 1 86  ? -38.153 -19.918 -33.355 1.00 22.54 ? 92  GLN B CG  1 
ATOM   754  C CD  . GLN A 1 86  ? -39.065 -20.792 -32.505 1.00 24.22 ? 92  GLN B CD  1 
ATOM   755  O OE1 . GLN A 1 86  ? -38.674 -21.824 -31.922 1.00 25.89 ? 92  GLN B OE1 1 
ATOM   756  N NE2 . GLN A 1 86  ? -40.334 -20.408 -32.401 1.00 25.36 ? 92  GLN B NE2 1 
ATOM   757  N N   . ARG A 1 87  ? -36.455 -17.133 -34.464 1.00 15.18 ? 93  ARG B N   1 
ATOM   758  C CA  . ARG A 1 87  ? -36.738 -15.673 -34.339 1.00 14.90 ? 93  ARG B CA  1 
ATOM   759  C C   . ARG A 1 87  ? -38.239 -15.434 -34.236 1.00 15.92 ? 93  ARG B C   1 
ATOM   760  O O   . ARG A 1 87  ? -38.602 -14.431 -33.611 1.00 16.32 ? 93  ARG B O   1 
ATOM   761  C CB  . ARG A 1 87  ? -36.202 -14.869 -35.504 1.00 15.54 ? 93  ARG B CB  1 
ATOM   762  C CG  . ARG A 1 87  ? -34.735 -15.080 -35.829 1.00 15.21 ? 93  ARG B CG  1 
ATOM   763  C CD  . ARG A 1 87  ? -33.818 -14.833 -34.627 1.00 16.36 ? 93  ARG B CD  1 
ATOM   764  N NE  . ARG A 1 87  ? -32.443 -15.291 -34.960 1.00 16.65 ? 93  ARG B NE  1 
ATOM   765  C CZ  . ARG A 1 87  ? -31.522 -14.584 -35.565 1.00 16.49 ? 93  ARG B CZ  1 
ATOM   766  N NH1 . ARG A 1 87  ? -31.783 -13.358 -35.958 1.00 18.75 ? 93  ARG B NH1 1 
ATOM   767  N NH2 . ARG A 1 87  ? -30.369 -15.122 -35.881 1.00 18.84 ? 93  ARG B NH2 1 
ATOM   768  N N   . LYS A 1 88  ? -39.077 -16.283 -34.830 1.00 16.10 ? 94  LYS B N   1 
ATOM   769  C CA  . LYS A 1 88  ? -40.528 -16.002 -34.977 1.00 17.60 ? 94  LYS B CA  1 
ATOM   770  C C   . LYS A 1 88  ? -41.329 -16.897 -34.069 1.00 18.80 ? 94  LYS B C   1 
ATOM   771  O O   . LYS A 1 88  ? -40.976 -18.106 -33.973 1.00 20.48 ? 94  LYS B O   1 
ATOM   772  C CB  . LYS A 1 88  ? -40.948 -16.175 -36.438 1.00 17.58 ? 94  LYS B CB  1 
ATOM   773  C CG  . LYS A 1 88  ? -40.117 -15.427 -37.447 1.00 19.81 ? 94  LYS B CG  1 
ATOM   774  C CD  . LYS A 1 88  ? -40.054 -13.903 -37.232 1.00 20.04 ? 94  LYS B CD  1 
ATOM   775  C CE  . LYS A 1 88  ? -39.267 -13.238 -38.320 1.00 20.59 ? 94  LYS B CE  1 
ATOM   776  N NZ  . LYS A 1 88  ? -39.208 -11.768 -38.124 1.00 22.06 ? 94  LYS B NZ  1 
ATOM   777  N N   . GLY A 1 89  ? -42.391 -16.374 -33.483 1.00 18.87 ? 95  GLY B N   1 
ATOM   778  C CA  . GLY A 1 89  ? -43.292 -17.161 -32.645 1.00 18.90 ? 95  GLY B CA  1 
ATOM   779  C C   . GLY A 1 89  ? -42.799 -17.348 -31.237 1.00 21.42 ? 95  GLY B C   1 
ATOM   780  O O   . GLY A 1 89  ? -41.841 -16.598 -30.816 1.00 20.21 ? 95  GLY B O   1 
ATOM   781  N N   . GLN A 1 90  ? -43.448 -18.260 -30.512 1.00 21.47 ? 96  GLN B N   1 
ATOM   782  C CA  . GLN A 1 90  ? -43.188 -18.524 -29.095 1.00 23.36 ? 96  GLN B CA  1 
ATOM   783  C C   . GLN A 1 90  ? -42.120 -19.599 -28.954 1.00 22.25 ? 96  GLN B C   1 
ATOM   784  O O   . GLN A 1 90  ? -42.033 -20.499 -29.819 1.00 21.89 ? 96  GLN B O   1 
ATOM   785  C CB  . GLN A 1 90  ? -44.486 -18.950 -28.396 1.00 27.11 ? 96  GLN B CB  1 
ATOM   786  C CG  . GLN A 1 90  ? -45.553 -17.881 -28.503 1.00 33.72 ? 96  GLN B CG  1 
ATOM   787  C CD  . GLN A 1 90  ? -46.876 -18.382 -28.005 1.00 43.87 ? 96  GLN B CD  1 
ATOM   788  O OE1 . GLN A 1 90  ? -47.117 -18.412 -26.800 1.00 53.64 ? 96  GLN B OE1 1 
ATOM   789  N NE2 . GLN A 1 90  ? -47.728 -18.778 -28.941 1.00 48.15 ? 96  GLN B NE2 1 
ATOM   790  N N   . PHE A 1 91  ? -41.253 -19.420 -27.959 1.00 18.15 ? 97  PHE B N   1 
ATOM   791  C CA  . PHE A 1 91  ? -40.205 -20.393 -27.591 1.00 18.66 ? 97  PHE B CA  1 
ATOM   792  C C   . PHE A 1 91  ? -39.719 -20.112 -26.175 1.00 18.31 ? 97  PHE B C   1 
ATOM   793  O O   . PHE A 1 91  ? -39.877 -19.000 -25.647 1.00 19.76 ? 97  PHE B O   1 
ATOM   794  C CB  . PHE A 1 91  ? -39.034 -20.339 -28.572 1.00 17.87 ? 97  PHE B CB  1 
ATOM   795  C CG  . PHE A 1 91  ? -38.423 -18.968 -28.699 1.00 17.09 ? 97  PHE B CG  1 
ATOM   796  C CD1 . PHE A 1 91  ? -37.413 -18.578 -27.833 1.00 17.71 ? 97  PHE B CD1 1 
ATOM   797  C CD2 . PHE A 1 91  ? -38.783 -18.093 -29.706 1.00 17.75 ? 97  PHE B CD2 1 
ATOM   798  C CE1 . PHE A 1 91  ? -36.820 -17.330 -27.953 1.00 16.39 ? 97  PHE B CE1 1 
ATOM   799  C CE2 . PHE A 1 91  ? -38.173 -16.858 -29.844 1.00 16.51 ? 97  PHE B CE2 1 
ATOM   800  C CZ  . PHE A 1 91  ? -37.176 -16.487 -28.971 1.00 16.87 ? 97  PHE B CZ  1 
ATOM   801  N N   A SER A 1 92  ? -39.173 -21.132 -25.520 0.25 18.99 ? 98  SER B N   1 
ATOM   802  N N   B SER A 1 92  ? -39.150 -21.143 -25.552 0.25 18.30 ? 98  SER B N   1 
ATOM   803  C CA  A SER A 1 92  ? -38.536 -20.990 -24.188 0.25 19.01 ? 98  SER B CA  1 
ATOM   804  C CA  B SER A 1 92  ? -38.516 -21.086 -24.210 0.25 17.85 ? 98  SER B CA  1 
ATOM   805  C C   A SER A 1 92  ? -37.033 -20.773 -24.352 0.25 17.10 ? 98  SER B C   1 
ATOM   806  C C   B SER A 1 92  ? -37.015 -20.806 -24.346 0.25 16.40 ? 98  SER B C   1 
ATOM   807  O O   A SER A 1 92  ? -36.436 -21.262 -25.348 0.25 17.23 ? 98  SER B O   1 
ATOM   808  O O   B SER A 1 92  ? -36.392 -21.285 -25.331 0.25 16.27 ? 98  SER B O   1 
ATOM   809  C CB  A SER A 1 92  ? -38.789 -22.174 -23.312 0.25 21.92 ? 98  SER B CB  1 
ATOM   810  C CB  B SER A 1 92  ? -38.746 -22.363 -23.439 0.25 19.75 ? 98  SER B CB  1 
ATOM   811  O OG  A SER A 1 92  ? -38.436 -23.356 -23.999 0.25 25.19 ? 98  SER B OG  1 
ATOM   812  O OG  B SER A 1 92  ? -40.131 -22.536 -23.154 0.25 20.72 ? 98  SER B OG  1 
ATOM   813  N N   . LEU A 1 93  ? -36.451 -20.061 -23.389 1.00 15.80 ? 99  LEU B N   1 
ATOM   814  C CA  . LEU A 1 93  ? -34.995 -19.874 -23.304 1.00 16.09 ? 99  LEU B CA  1 
ATOM   815  C C   . LEU A 1 93  ? -34.394 -21.089 -22.616 1.00 16.35 ? 99  LEU B C   1 
ATOM   816  O O   . LEU A 1 93  ? -34.510 -21.252 -21.426 1.00 18.52 ? 99  LEU B O   1 
ATOM   817  C CB  . LEU A 1 93  ? -34.660 -18.600 -22.533 1.00 15.72 ? 99  LEU B CB  1 
ATOM   818  C CG  . LEU A 1 93  ? -35.101 -17.302 -23.205 1.00 17.56 ? 99  LEU B CG  1 
ATOM   819  C CD1 . LEU A 1 93  ? -34.752 -16.119 -22.310 1.00 18.58 ? 99  LEU B CD1 1 
ATOM   820  C CD2 . LEU A 1 93  ? -34.513 -17.101 -24.594 1.00 19.28 ? 99  LEU B CD2 1 
ATOM   821  N N   . SER A 1 94  ? -33.721 -21.967 -23.379 1.00 15.51 ? 100 SER B N   1 
ATOM   822  C CA  . SER A 1 94  ? -33.118 -23.198 -22.819 1.00 15.80 ? 100 SER B CA  1 
ATOM   823  C C   . SER A 1 94  ? -31.935 -23.561 -23.699 1.00 13.96 ? 100 SER B C   1 
ATOM   824  O O   . SER A 1 94  ? -31.910 -23.201 -24.862 1.00 14.48 ? 100 SER B O   1 
ATOM   825  C CB  . SER A 1 94  ? -34.064 -24.381 -22.803 1.00 17.68 ? 100 SER B CB  1 
ATOM   826  O OG  . SER A 1 94  ? -34.436 -24.712 -24.145 1.00 20.00 ? 100 SER B OG  1 
ATOM   827  N N   . PRO A 1 95  ? -30.994 -24.318 -23.154 1.00 14.02 ? 101 PRO B N   1 
ATOM   828  C CA  . PRO A 1 95  ? -29.883 -24.809 -23.968 1.00 13.93 ? 101 PRO B CA  1 
ATOM   829  C C   . PRO A 1 95  ? -30.366 -25.697 -25.121 1.00 14.82 ? 101 PRO B C   1 
ATOM   830  O O   . PRO A 1 95  ? -29.774 -25.597 -26.218 1.00 15.14 ? 101 PRO B O   1 
ATOM   831  C CB  . PRO A 1 95  ? -28.986 -25.562 -22.967 1.00 15.30 ? 101 PRO B CB  1 
ATOM   832  C CG  . PRO A 1 95  ? -29.309 -24.862 -21.643 1.00 16.29 ? 101 PRO B CG  1 
ATOM   833  C CD  . PRO A 1 95  ? -30.798 -24.617 -21.741 1.00 15.67 ? 101 PRO B CD  1 
ATOM   834  N N   . GLU A 1 96  ? -31.449 -26.450 -24.929 1.00 15.96 ? 102 GLU B N   1 
ATOM   835  C CA  . GLU A 1 96  ? -32.011 -27.284 -26.034 1.00 18.05 ? 102 GLU B CA  1 
ATOM   836  C C   . GLU A 1 96  ? -32.406 -26.404 -27.225 1.00 17.77 ? 102 GLU B C   1 
ATOM   837  O O   . GLU A 1 96  ? -32.333 -26.836 -28.396 1.00 19.88 ? 102 GLU B O   1 
ATOM   838  C CB  . GLU A 1 96  ? -33.203 -28.102 -25.546 1.00 23.30 ? 102 GLU B CB  1 
ATOM   839  C CG  . GLU A 1 96  ? -32.880 -28.948 -24.335 1.00 33.00 ? 102 GLU B CG  1 
ATOM   840  C CD  . GLU A 1 96  ? -33.290 -28.341 -22.996 1.00 39.97 ? 102 GLU B CD  1 
ATOM   841  O OE1 . GLU A 1 96  ? -32.466 -27.566 -22.372 1.00 26.39 ? 102 GLU B OE1 1 
ATOM   842  O OE2 . GLU A 1 96  ? -34.443 -28.670 -22.561 1.00 48.94 ? 102 GLU B OE2 1 
ATOM   843  N N   . ASN A 1 97  ? -32.888 -25.185 -26.970 1.00 15.81 ? 103 ASN B N   1 
ATOM   844  C CA  . ASN A 1 97  ? -33.294 -24.232 -28.016 1.00 16.09 ? 103 ASN B CA  1 
ATOM   845  C C   . ASN A 1 97  ? -32.131 -23.322 -28.425 1.00 14.69 ? 103 ASN B C   1 
ATOM   846  O O   . ASN A 1 97  ? -32.348 -22.456 -29.264 1.00 15.47 ? 103 ASN B O   1 
ATOM   847  C CB  . ASN A 1 97  ? -34.513 -23.403 -27.562 1.00 16.76 ? 103 ASN B CB  1 
ATOM   848  C CG  . ASN A 1 97  ? -35.797 -24.192 -27.536 1.00 19.53 ? 103 ASN B CG  1 
ATOM   849  O OD1 . ASN A 1 97  ? -35.897 -25.259 -28.166 1.00 21.35 ? 103 ASN B OD1 1 
ATOM   850  N ND2 . ASN A 1 97  ? -36.770 -23.734 -26.751 1.00 20.13 ? 103 ASN B ND2 1 
ATOM   851  N N   . GLY A 1 98  ? -30.924 -23.489 -27.878 1.00 13.56 ? 104 GLY B N   1 
ATOM   852  C CA  . GLY A 1 98  ? -29.769 -22.697 -28.311 1.00 12.81 ? 104 GLY B CA  1 
ATOM   853  C C   . GLY A 1 98  ? -29.502 -21.431 -27.496 1.00 11.67 ? 104 GLY B C   1 
ATOM   854  O O   . GLY A 1 98  ? -28.848 -20.543 -27.998 1.00 12.32 ? 104 GLY B O   1 
ATOM   855  N N   . PHE A 1 99  ? -29.968 -21.368 -26.240 1.00 12.51 ? 105 PHE B N   1 
ATOM   856  C CA  . PHE A 1 99  ? -29.755 -20.165 -25.412 1.00 11.43 ? 105 PHE B CA  1 
ATOM   857  C C   . PHE A 1 99  ? -29.063 -20.539 -24.103 1.00 11.06 ? 105 PHE B C   1 
ATOM   858  O O   . PHE A 1 99  ? -29.514 -21.537 -23.450 1.00 13.04 ? 105 PHE B O   1 
ATOM   859  C CB  . PHE A 1 99  ? -31.108 -19.527 -25.046 1.00 12.23 ? 105 PHE B CB  1 
ATOM   860  C CG  . PHE A 1 99  ? -31.917 -19.022 -26.213 1.00 11.52 ? 105 PHE B CG  1 
ATOM   861  C CD1 . PHE A 1 99  ? -32.796 -19.857 -26.881 1.00 12.50 ? 105 PHE B CD1 1 
ATOM   862  C CD2 . PHE A 1 99  ? -31.764 -17.723 -26.670 1.00 12.09 ? 105 PHE B CD2 1 
ATOM   863  C CE1 . PHE A 1 99  ? -33.545 -19.390 -27.949 1.00 12.96 ? 105 PHE B CE1 1 
ATOM   864  C CE2 . PHE A 1 99  ? -32.513 -17.272 -27.737 1.00 13.16 ? 105 PHE B CE2 1 
ATOM   865  C CZ  . PHE A 1 99  ? -33.399 -18.100 -28.371 1.00 12.77 ? 105 PHE B CZ  1 
ATOM   866  N N   . TRP A 1 100 ? -28.141 -19.711 -23.641 1.00 10.84 ? 106 TRP B N   1 
ATOM   867  C CA  . TRP A 1 100 ? -27.433 -19.816 -22.349 1.00 11.08 ? 106 TRP B CA  1 
ATOM   868  C C   . TRP A 1 100 ? -27.583 -18.479 -21.609 1.00 10.31 ? 106 TRP B C   1 
ATOM   869  O O   . TRP A 1 100 ? -26.846 -17.521 -21.945 1.00 11.48 ? 106 TRP B O   1 
ATOM   870  C CB  . TRP A 1 100 ? -25.975 -20.257 -22.516 1.00 11.14 ? 106 TRP B CB  1 
ATOM   871  C CG  . TRP A 1 100 ? -25.908 -21.637 -23.102 1.00 11.18 ? 106 TRP B CG  1 
ATOM   872  C CD1 . TRP A 1 100 ? -25.798 -22.831 -22.439 1.00 12.36 ? 106 TRP B CD1 1 
ATOM   873  C CD2 . TRP A 1 100 ? -25.921 -21.975 -24.515 1.00 11.80 ? 106 TRP B CD2 1 
ATOM   874  N NE1 . TRP A 1 100 ? -25.829 -23.886 -23.341 1.00 13.04 ? 106 TRP B NE1 1 
ATOM   875  C CE2 . TRP A 1 100 ? -25.891 -23.378 -24.606 1.00 12.89 ? 106 TRP B CE2 1 
ATOM   876  C CE3 . TRP A 1 100 ? -25.975 -21.195 -25.671 1.00 12.27 ? 106 TRP B CE3 1 
ATOM   877  C CZ2 . TRP A 1 100 ? -25.957 -24.031 -25.854 1.00 13.58 ? 106 TRP B CZ2 1 
ATOM   878  C CZ3 . TRP A 1 100 ? -26.016 -21.855 -26.889 1.00 14.09 ? 106 TRP B CZ3 1 
ATOM   879  C CH2 . TRP A 1 100 ? -26.025 -23.235 -26.969 1.00 13.52 ? 106 TRP B CH2 1 
ATOM   880  N N   . THR A 1 101 ? -28.620 -18.386 -20.788 1.00 11.14 ? 107 THR B N   1 
ATOM   881  C CA  . THR A 1 101 ? -29.113 -17.068 -20.302 1.00 11.44 ? 107 THR B CA  1 
ATOM   882  C C   . THR A 1 101 ? -29.447 -17.128 -18.800 1.00 10.60 ? 107 THR B C   1 
ATOM   883  O O   . THR A 1 101 ? -29.706 -18.199 -18.247 1.00 11.26 ? 107 THR B O   1 
ATOM   884  C CB  . THR A 1 101 ? -30.354 -16.618 -21.069 1.00 11.84 ? 107 THR B CB  1 
ATOM   885  O OG1 . THR A 1 101 ? -31.415 -17.535 -20.847 1.00 12.50 ? 107 THR B OG1 1 
ATOM   886  C CG2 . THR A 1 101 ? -30.046 -16.424 -22.547 1.00 12.67 ? 107 THR B CG2 1 
ATOM   887  N N   . ILE A 1 102 ? -29.472 -15.953 -18.176 1.00 11.38 ? 108 ILE B N   1 
ATOM   888  C CA  . ILE A 1 102 ? -30.122 -15.721 -16.844 1.00 11.43 ? 108 ILE B CA  1 
ATOM   889  C C   . ILE A 1 102 ? -31.141 -14.595 -17.046 1.00 10.99 ? 108 ILE B C   1 
ATOM   890  O O   . ILE A 1 102 ? -31.048 -13.825 -18.037 1.00 10.98 ? 108 ILE B O   1 
ATOM   891  C CB  . ILE A 1 102 ? -29.085 -15.414 -15.738 1.00 11.33 ? 108 ILE B CB  1 
ATOM   892  C CG1 . ILE A 1 102 ? -28.401 -14.054 -15.923 1.00 11.79 ? 108 ILE B CG1 1 
ATOM   893  C CG2 . ILE A 1 102 ? -28.061 -16.544 -15.675 1.00 12.40 ? 108 ILE B CG2 1 
ATOM   894  C CD1 . ILE A 1 102 ? -27.575 -13.588 -14.740 1.00 12.28 ? 108 ILE B CD1 1 
ATOM   895  N N   . TRP A 1 103 ? -31.977 -14.424 -16.049 1.00 11.42 ? 109 TRP B N   1 
ATOM   896  C CA  . TRP A 1 103 ? -33.005 -13.362 -16.107 1.00 12.12 ? 109 TRP B CA  1 
ATOM   897  C C   . TRP A 1 103 ? -33.418 -12.913 -14.724 1.00 13.14 ? 109 TRP B C   1 
ATOM   898  O O   . TRP A 1 103 ? -33.253 -13.608 -13.730 1.00 12.80 ? 109 TRP B O   1 
ATOM   899  C CB  . TRP A 1 103 ? -34.181 -13.796 -16.936 1.00 14.46 ? 109 TRP B CB  1 
ATOM   900  C CG  . TRP A 1 103 ? -34.967 -14.931 -16.405 1.00 15.86 ? 109 TRP B CG  1 
ATOM   901  C CD1 . TRP A 1 103 ? -35.829 -14.912 -15.346 1.00 16.61 ? 109 TRP B CD1 1 
ATOM   902  C CD2 . TRP A 1 103 ? -35.113 -16.186 -17.051 1.00 16.75 ? 109 TRP B CD2 1 
ATOM   903  N NE1 . TRP A 1 103 ? -36.475 -16.099 -15.266 1.00 19.32 ? 109 TRP B NE1 1 
ATOM   904  C CE2 . TRP A 1 103 ? -36.076 -16.896 -16.301 1.00 17.37 ? 109 TRP B CE2 1 
ATOM   905  C CE3 . TRP A 1 103 ? -34.519 -16.770 -18.166 1.00 17.59 ? 109 TRP B CE3 1 
ATOM   906  C CZ2 . TRP A 1 103 ? -36.429 -18.200 -16.622 1.00 20.57 ? 109 TRP B CZ2 1 
ATOM   907  C CZ3 . TRP A 1 103 ? -34.935 -18.024 -18.524 1.00 19.42 ? 109 TRP B CZ3 1 
ATOM   908  C CH2 . TRP A 1 103 ? -35.866 -18.717 -17.764 1.00 19.21 ? 109 TRP B CH2 1 
ATOM   909  N N   . LEU A 1 104 ? -33.991 -11.695 -14.727 1.00 12.95 ? 110 LEU B N   1 
ATOM   910  C CA  . LEU A 1 104 ? -34.785 -11.168 -13.619 1.00 12.70 ? 110 LEU B CA  1 
ATOM   911  C C   . LEU A 1 104 ? -36.246 -11.152 -14.044 1.00 11.69 ? 110 LEU B C   1 
ATOM   912  O O   . LEU A 1 104 ? -36.540 -10.647 -15.115 1.00 12.45 ? 110 LEU B O   1 
ATOM   913  C CB  . LEU A 1 104 ? -34.317 -9.756  -13.310 1.00 12.96 ? 110 LEU B CB  1 
ATOM   914  C CG  . LEU A 1 104 ? -35.148 -8.976  -12.286 1.00 13.79 ? 110 LEU B CG  1 
ATOM   915  C CD1 . LEU A 1 104 ? -35.161 -9.655  -10.932 1.00 14.57 ? 110 LEU B CD1 1 
ATOM   916  C CD2 . LEU A 1 104 ? -34.684 -7.535  -12.171 1.00 15.23 ? 110 LEU B CD2 1 
ATOM   917  N N   . TRP A 1 105 ? -37.132 -11.567 -13.133 1.00 12.98 ? 111 TRP B N   1 
ATOM   918  C CA  . TRP A 1 105 ? -38.583 -11.582 -13.382 1.00 13.83 ? 111 TRP B CA  1 
ATOM   919  C C   . TRP A 1 105 ? -39.304 -11.632 -12.050 1.00 16.48 ? 111 TRP B C   1 
ATOM   920  O O   . TRP A 1 105 ? -38.984 -12.513 -11.229 1.00 15.48 ? 111 TRP B O   1 
ATOM   921  C CB  . TRP A 1 105 ? -38.945 -12.800 -14.214 1.00 17.56 ? 111 TRP B CB  1 
ATOM   922  C CG  . TRP A 1 105 ? -40.395 -13.048 -14.343 1.00 20.88 ? 111 TRP B CG  1 
ATOM   923  C CD1 . TRP A 1 105 ? -41.165 -14.040 -13.787 1.00 21.98 ? 111 TRP B CD1 1 
ATOM   924  C CD2 . TRP A 1 105 ? -41.263 -12.228 -15.121 1.00 20.88 ? 111 TRP B CD2 1 
ATOM   925  N NE1 . TRP A 1 105 ? -42.448 -13.896 -14.214 1.00 22.25 ? 111 TRP B NE1 1 
ATOM   926  C CE2 . TRP A 1 105 ? -42.544 -12.793 -15.016 1.00 18.82 ? 111 TRP B CE2 1 
ATOM   927  C CE3 . TRP A 1 105 ? -41.081 -11.108 -15.930 1.00 20.13 ? 111 TRP B CE3 1 
ATOM   928  C CZ2 . TRP A 1 105 ? -43.649 -12.281 -15.676 1.00 24.85 ? 111 TRP B CZ2 1 
ATOM   929  C CZ3 . TRP A 1 105 ? -42.184 -10.565 -16.549 1.00 24.86 ? 111 TRP B CZ3 1 
ATOM   930  C CH2 . TRP A 1 105 ? -43.456 -11.126 -16.408 1.00 24.96 ? 111 TRP B CH2 1 
ATOM   931  N N   . GLN A 1 106 ? -40.186 -10.647 -11.792 1.00 15.18 ? 112 GLN B N   1 
ATOM   932  C CA  . GLN A 1 106 ? -41.004 -10.673 -10.542 1.00 15.48 ? 112 GLN B CA  1 
ATOM   933  C C   . GLN A 1 106 ? -40.128 -10.874 -9.321  1.00 16.46 ? 112 GLN B C   1 
ATOM   934  O O   . GLN A 1 106 ? -40.465 -11.733 -8.432  1.00 18.48 ? 112 GLN B O   1 
ATOM   935  C CB  . GLN A 1 106 ? -42.120 -11.705 -10.681 1.00 17.52 ? 112 GLN B CB  1 
ATOM   936  C CG  . GLN A 1 106 ? -43.038 -11.388 -11.846 1.00 18.56 ? 112 GLN B CG  1 
ATOM   937  C CD  . GLN A 1 106 ? -44.311 -12.195 -11.914 1.00 20.23 ? 112 GLN B CD  1 
ATOM   938  O OE1 . GLN A 1 106 ? -45.268 -11.835 -12.636 1.00 23.15 ? 112 GLN B OE1 1 
ATOM   939  N NE2 . GLN A 1 106 ? -44.342 -13.289 -11.176 1.00 18.67 ? 112 GLN B NE2 1 
ATOM   940  N N   . ASP A 1 107 ? -39.092 -10.076 -9.181  1.00 17.21 ? 113 ASP B N   1 
ATOM   941  C CA  . ASP A 1 107 ? -38.284 -9.972  -7.959  1.00 21.88 ? 113 ASP B CA  1 
ATOM   942  C C   . ASP A 1 107 ? -37.489 -11.262 -7.686  1.00 21.16 ? 113 ASP B C   1 
ATOM   943  O O   . ASP A 1 107 ? -36.899 -11.350 -6.594  1.00 28.51 ? 113 ASP B O   1 
ATOM   944  C CB  . ASP A 1 107 ? -39.266 -9.727  -6.808  1.00 25.67 ? 113 ASP B CB  1 
ATOM   945  C CG  . ASP A 1 107 ? -38.695 -9.000  -5.630  1.00 34.24 ? 113 ASP B CG  1 
ATOM   946  O OD1 . ASP A 1 107 ? -37.701 -8.248  -5.801  1.00 39.23 ? 113 ASP B OD1 1 
ATOM   947  O OD2 . ASP A 1 107 ? -39.307 -9.156  -4.537  1.00 47.72 ? 113 ASP B OD2 1 
ATOM   948  N N   . SER A 1 108 ? -37.335 -12.149 -8.671  1.00 17.50 ? 114 SER B N   1 
ATOM   949  C CA  . SER A 1 108 ? -36.424 -13.320 -8.526  1.00 19.09 ? 114 SER B CA  1 
ATOM   950  C C   . SER A 1 108 ? -35.506 -13.451 -9.753  1.00 16.78 ? 114 SER B C   1 
ATOM   951  O O   . SER A 1 108 ? -35.886 -13.096 -10.916 1.00 16.22 ? 114 SER B O   1 
ATOM   952  C CB  . SER A 1 108 ? -37.206 -14.549 -8.156  1.00 23.51 ? 114 SER B CB  1 
ATOM   953  O OG  . SER A 1 108 ? -37.851 -15.099 -9.269  1.00 33.73 ? 114 SER B OG  1 
ATOM   954  N N   . TYR A 1 109 ? -34.310 -13.947 -9.517  1.00 14.67 ? 115 TYR B N   1 
ATOM   955  C CA  . TYR A 1 109 ? -33.298 -14.208 -10.572 1.00 13.49 ? 115 TYR B CA  1 
ATOM   956  C C   . TYR A 1 109 ? -33.267 -15.705 -10.829 1.00 13.38 ? 115 TYR B C   1 
ATOM   957  O O   . TYR A 1 109 ? -33.274 -16.505 -9.874  1.00 14.17 ? 115 TYR B O   1 
ATOM   958  C CB  . TYR A 1 109 ? -31.943 -13.686 -10.134 1.00 13.47 ? 115 TYR B CB  1 
ATOM   959  C CG  . TYR A 1 109 ? -31.889 -12.187 -9.896  1.00 14.56 ? 115 TYR B CG  1 
ATOM   960  C CD1 . TYR A 1 109 ? -32.142 -11.641 -8.662  1.00 15.10 ? 115 TYR B CD1 1 
ATOM   961  C CD2 . TYR A 1 109 ? -31.533 -11.319 -10.907 1.00 13.61 ? 115 TYR B CD2 1 
ATOM   962  C CE1 . TYR A 1 109 ? -32.037 -10.275 -8.428  1.00 15.14 ? 115 TYR B CE1 1 
ATOM   963  C CE2 . TYR A 1 109 ? -31.445 -9.953  -10.697 1.00 14.00 ? 115 TYR B CE2 1 
ATOM   964  C CZ  . TYR A 1 109 ? -31.707 -9.425  -9.455  1.00 15.00 ? 115 TYR B CZ  1 
ATOM   965  O OH  . TYR A 1 109 ? -31.668 -8.077  -9.211  1.00 15.93 ? 115 TYR B OH  1 
ATOM   966  N N   A GLU A 1 110 ? -33.270 -16.116 -12.103 0.25 12.96 ? 116 GLU B N   1 
ATOM   967  N N   B GLU A 1 110 ? -33.261 -16.090 -12.110 0.25 12.97 ? 116 GLU B N   1 
ATOM   968  C CA  A GLU A 1 110 ? -33.256 -17.553 -12.495 0.25 13.32 ? 116 GLU B CA  1 
ATOM   969  C CA  B GLU A 1 110 ? -33.264 -17.506 -12.560 0.25 13.29 ? 116 GLU B CA  1 
ATOM   970  C C   A GLU A 1 110 ? -32.347 -17.771 -13.709 0.25 12.06 ? 116 GLU B C   1 
ATOM   971  C C   B GLU A 1 110 ? -32.198 -17.705 -13.649 0.25 11.81 ? 116 GLU B C   1 
ATOM   972  O O   A GLU A 1 110 ? -32.317 -16.915 -14.596 0.25 11.95 ? 116 GLU B O   1 
ATOM   973  O O   B GLU A 1 110 ? -31.831 -16.743 -14.361 0.25 11.12 ? 116 GLU B O   1 
ATOM   974  C CB  A GLU A 1 110 ? -34.662 -18.053 -12.796 0.25 14.67 ? 116 GLU B CB  1 
ATOM   975  C CB  B GLU A 1 110 ? -34.645 -17.912 -13.065 0.25 14.82 ? 116 GLU B CB  1 
ATOM   976  C CG  A GLU A 1 110 ? -35.624 -17.894 -11.632 0.25 16.73 ? 116 GLU B CG  1 
ATOM   977  C CG  B GLU A 1 110 ? -35.763 -17.744 -12.041 0.25 17.32 ? 116 GLU B CG  1 
ATOM   978  C CD  A GLU A 1 110 ? -37.038 -18.309 -11.982 0.25 18.49 ? 116 GLU B CD  1 
ATOM   979  C CD  B GLU A 1 110 ? -35.917 -18.903 -11.066 0.25 18.58 ? 116 GLU B CD  1 
ATOM   980  O OE1 A GLU A 1 110 ? -37.496 -17.961 -13.082 0.25 20.68 ? 116 GLU B OE1 1 
ATOM   981  O OE1 B GLU A 1 110 ? -35.498 -20.022 -11.404 0.25 24.40 ? 116 GLU B OE1 1 
ATOM   982  O OE2 A GLU A 1 110 ? -37.678 -18.991 -11.153 0.25 18.29 ? 116 GLU B OE2 1 
ATOM   983  O OE2 B GLU A 1 110 ? -36.499 -18.698 -10.000 0.25 25.53 ? 116 GLU B OE2 1 
ATOM   984  N N   . ALA A 1 111 ? -31.692 -18.934 -13.757 1.00 12.52 ? 117 ALA B N   1 
ATOM   985  C CA  . ALA A 1 111 ? -30.935 -19.365 -14.932 1.00 11.92 ? 117 ALA B CA  1 
ATOM   986  C C   . ALA A 1 111 ? -31.875 -20.110 -15.880 1.00 13.30 ? 117 ALA B C   1 
ATOM   987  O O   . ALA A 1 111 ? -32.732 -20.919 -15.450 1.00 12.97 ? 117 ALA B O   1 
ATOM   988  C CB  . ALA A 1 111 ? -29.770 -20.247 -14.499 1.00 12.60 ? 117 ALA B CB  1 
ATOM   989  N N   . GLY A 1 112 ? -31.730 -19.849 -17.185 1.00 13.04 ? 118 GLY B N   1 
ATOM   990  C CA  . GLY A 1 112 ? -32.538 -20.456 -18.243 1.00 14.08 ? 118 GLY B CA  1 
ATOM   991  C C   . GLY A 1 112 ? -32.166 -21.889 -18.549 1.00 14.24 ? 118 GLY B C   1 
ATOM   992  O O   . GLY A 1 112 ? -31.880 -22.229 -19.682 1.00 16.67 ? 118 GLY B O   1 
ATOM   993  N N   . THR A 1 113 ? -32.123 -22.761 -17.562 1.00 15.70 ? 119 THR B N   1 
ATOM   994  C CA  . THR A 1 113 ? -32.139 -24.214 -17.757 1.00 17.09 ? 119 THR B CA  1 
ATOM   995  C C   . THR A 1 113 ? -33.569 -24.696 -18.008 1.00 18.28 ? 119 THR B C   1 
ATOM   996  O O   . THR A 1 113 ? -34.486 -23.909 -17.842 1.00 20.69 ? 119 THR B O   1 
ATOM   997  C CB  . THR A 1 113 ? -31.492 -24.833 -16.541 1.00 15.05 ? 119 THR B CB  1 
ATOM   998  O OG1 . THR A 1 113 ? -32.220 -24.378 -15.389 1.00 14.98 ? 119 THR B OG1 1 
ATOM   999  C CG2 . THR A 1 113 ? -30.049 -24.501 -16.338 1.00 16.51 ? 119 THR B CG2 1 
ATOM   1000 N N   . SER A 1 114 ? -33.739 -25.973 -18.360 1.00 22.05 ? 120 SER B N   1 
ATOM   1001 C CA  . SER A 1 114 ? -35.082 -26.556 -18.536 1.00 26.08 ? 120 SER B CA  1 
ATOM   1002 C C   . SER A 1 114 ? -35.249 -27.741 -17.580 1.00 25.92 ? 120 SER B C   1 
ATOM   1003 O O   . SER A 1 114 ? -34.574 -28.764 -17.735 1.00 27.24 ? 120 SER B O   1 
ATOM   1004 C CB  . SER A 1 114 ? -35.341 -26.947 -19.976 1.00 33.06 ? 120 SER B CB  1 
ATOM   1005 O OG  . SER A 1 114 ? -36.719 -27.277 -20.125 1.00 35.89 ? 120 SER B OG  1 
ATOM   1006 N N   . PRO A 1 115 ? -36.025 -27.592 -16.484 1.00 23.91 ? 121 PRO B N   1 
ATOM   1007 C CA  . PRO A 1 115 ? -36.691 -26.354 -16.108 1.00 24.19 ? 121 PRO B CA  1 
ATOM   1008 C C   . PRO A 1 115 ? -35.718 -25.345 -15.467 1.00 19.61 ? 121 PRO B C   1 
ATOM   1009 O O   . PRO A 1 115 ? -34.573 -25.676 -15.183 1.00 19.93 ? 121 PRO B O   1 
ATOM   1010 C CB  . PRO A 1 115 ? -37.733 -26.800 -15.081 1.00 27.07 ? 121 PRO B CB  1 
ATOM   1011 C CG  . PRO A 1 115 ? -37.044 -27.946 -14.379 1.00 25.77 ? 121 PRO B CG  1 
ATOM   1012 C CD  . PRO A 1 115 ? -36.240 -28.649 -15.470 1.00 25.42 ? 121 PRO B CD  1 
ATOM   1013 N N   . GLN A 1 116 ? -36.182 -24.120 -15.290 1.00 19.39 ? 122 GLN B N   1 
ATOM   1014 C CA  . GLN A 1 116 ? -35.345 -22.998 -14.796 1.00 18.57 ? 122 GLN B CA  1 
ATOM   1015 C C   . GLN A 1 116 ? -34.796 -23.273 -13.390 1.00 16.32 ? 122 GLN B C   1 
ATOM   1016 O O   . GLN A 1 116 ? -35.443 -23.981 -12.578 1.00 16.23 ? 122 GLN B O   1 
ATOM   1017 C CB  . GLN A 1 116 ? -36.048 -21.643 -14.913 1.00 23.20 ? 122 GLN B CB  1 
ATOM   1018 C CG  . GLN A 1 116 ? -37.083 -21.342 -13.847 1.00 28.46 ? 122 GLN B CG  1 
ATOM   1019 C CD  . GLN A 1 116 ? -38.480 -21.587 -14.348 1.00 40.33 ? 122 GLN B CD  1 
ATOM   1020 O OE1 . GLN A 1 116 ? -38.726 -22.465 -15.185 1.00 46.56 ? 122 GLN B OE1 1 
ATOM   1021 N NE2 . GLN A 1 116 ? -39.414 -20.833 -13.790 1.00 47.72 ? 122 GLN B NE2 1 
ATOM   1022 N N   . THR A 1 117 ? -33.670 -22.658 -13.089 1.00 14.29 ? 123 THR B N   1 
ATOM   1023 C CA  . THR A 1 117 ? -32.932 -22.838 -11.835 1.00 13.71 ? 123 THR B CA  1 
ATOM   1024 C C   . THR A 1 117 ? -32.964 -21.547 -11.015 1.00 13.17 ? 123 THR B C   1 
ATOM   1025 O O   . THR A 1 117 ? -32.503 -20.488 -11.480 1.00 14.86 ? 123 THR B O   1 
ATOM   1026 C CB  . THR A 1 117 ? -31.507 -23.324 -12.082 1.00 13.14 ? 123 THR B CB  1 
ATOM   1027 O OG1 . THR A 1 117 ? -31.596 -24.546 -12.797 1.00 14.59 ? 123 THR B OG1 1 
ATOM   1028 C CG2 . THR A 1 117 ? -30.753 -23.489 -10.785 1.00 14.30 ? 123 THR B CG2 1 
ATOM   1029 N N   . THR A 1 118 ? -33.366 -21.615 -9.752  1.00 14.41 ? 124 THR B N   1 
ATOM   1030 C CA  . THR A 1 118 ? -33.304 -20.462 -8.849  1.00 14.27 ? 124 THR B CA  1 
ATOM   1031 C C   . THR A 1 118 ? -31.882 -19.989 -8.596  1.00 14.62 ? 124 THR B C   1 
ATOM   1032 O O   . THR A 1 118 ? -30.976 -20.846 -8.306  1.00 16.66 ? 124 THR B O   1 
ATOM   1033 C CB  . THR A 1 118 ? -33.939 -20.918 -7.521  1.00 17.70 ? 124 THR B CB  1 
ATOM   1034 O OG1 . THR A 1 118 ? -35.311 -21.183 -7.773  1.00 20.82 ? 124 THR B OG1 1 
ATOM   1035 C CG2 . THR A 1 118 ? -33.739 -19.890 -6.441  1.00 21.54 ? 124 THR B CG2 1 
ATOM   1036 N N   . LEU A 1 119 ? -31.611 -18.688 -8.702  1.00 13.45 ? 125 LEU B N   1 
ATOM   1037 C CA  . LEU A 1 119 ? -30.301 -18.102 -8.390  1.00 12.58 ? 125 LEU B CA  1 
ATOM   1038 C C   . LEU A 1 119 ? -30.379 -17.500 -6.974  1.00 14.95 ? 125 LEU B C   1 
ATOM   1039 O O   . LEU A 1 119 ? -31.495 -17.206 -6.460  1.00 19.72 ? 125 LEU B O   1 
ATOM   1040 C CB  . LEU A 1 119 ? -29.882 -17.021 -9.396  1.00 13.36 ? 125 LEU B CB  1 
ATOM   1041 C CG  . LEU A 1 119 ? -29.808 -17.542 -10.832 1.00 12.87 ? 125 LEU B CG  1 
ATOM   1042 C CD1 . LEU A 1 119 ? -29.554 -16.427 -11.823 1.00 13.33 ? 125 LEU B CD1 1 
ATOM   1043 C CD2 . LEU A 1 119 ? -28.741 -18.622 -10.973 1.00 14.44 ? 125 LEU B CD2 1 
ATOM   1044 N N   . HIS A 1 120 ? -29.245 -17.417 -6.305  1.00 14.82 ? 126 HIS B N   1 
ATOM   1045 C CA  . HIS A 1 120 ? -29.128 -16.942 -4.905  1.00 14.94 ? 126 HIS B CA  1 
ATOM   1046 C C   . HIS A 1 120 ? -28.285 -15.680 -4.945  1.00 17.74 ? 126 HIS B C   1 
ATOM   1047 O O   . HIS A 1 120 ? -27.029 -15.754 -4.961  1.00 22.41 ? 126 HIS B O   1 
ATOM   1048 C CB  . HIS A 1 120 ? -28.470 -18.056 -4.066  1.00 15.68 ? 126 HIS B CB  1 
ATOM   1049 C CG  . HIS A 1 120 ? -29.251 -19.326 -4.019  1.00 16.05 ? 126 HIS B CG  1 
ATOM   1050 N ND1 . HIS A 1 120 ? -28.980 -20.414 -4.833  1.00 19.42 ? 126 HIS B ND1 1 
ATOM   1051 C CD2 . HIS A 1 120 ? -30.331 -19.660 -3.308  1.00 18.61 ? 126 HIS B CD2 1 
ATOM   1052 C CE1 . HIS A 1 120 ? -29.875 -21.359 -4.586  1.00 20.76 ? 126 HIS B CE1 1 
ATOM   1053 N NE2 . HIS A 1 120 ? -30.678 -20.946 -3.633  1.00 19.13 ? 126 HIS B NE2 1 
ATOM   1054 N N   . ILE A 1 121 ? -28.915 -14.542 -5.041  1.00 20.36 ? 127 ILE B N   1 
ATOM   1055 C CA  . ILE A 1 121 ? -28.216 -13.238 -5.155  1.00 21.92 ? 127 ILE B CA  1 
ATOM   1056 C C   . ILE A 1 121 ? -28.605 -12.389 -3.918  1.00 21.38 ? 127 ILE B C   1 
ATOM   1057 O O   . ILE A 1 121 ? -29.790 -12.171 -3.718  1.00 28.46 ? 127 ILE B O   1 
ATOM   1058 C CB  . ILE A 1 121 ? -28.619 -12.573 -6.488  1.00 22.41 ? 127 ILE B CB  1 
ATOM   1059 C CG1 . ILE A 1 121 ? -28.164 -13.436 -7.685  1.00 20.61 ? 127 ILE B CG1 1 
ATOM   1060 C CG2 . ILE A 1 121 ? -28.081 -11.144 -6.485  1.00 27.25 ? 127 ILE B CG2 1 
ATOM   1061 C CD1 . ILE A 1 121 ? -28.318 -12.777 -9.050  1.00 21.55 ? 127 ILE B CD1 1 
ATOM   1062 N N   . GLN A 1 122 ? -27.635 -12.055 -3.082  1.00 26.50 ? 128 GLN B N   1 
ATOM   1063 C CA  . GLN A 1 122 ? -27.860 -11.249 -1.840  1.00 30.29 ? 128 GLN B CA  1 
ATOM   1064 C C   . GLN A 1 122 ? -27.854 -9.758  -2.197  1.00 26.99 ? 128 GLN B C   1 
ATOM   1065 O O   . GLN A 1 122 ? -28.649 -9.000  -1.591  1.00 27.16 ? 128 GLN B O   1 
ATOM   1066 C CB  . GLN A 1 122 ? -26.778 -11.621 -0.817  1.00 32.88 ? 128 GLN B CB  1 
ATOM   1067 C CG  . GLN A 1 122 ? -26.818 -10.808 0.481   1.00 43.21 ? 128 GLN B CG  1 
ATOM   1068 C CD  . GLN A 1 122 ? -28.120 -10.944 1.245   1.00 48.59 ? 128 GLN B CD  1 
ATOM   1069 O OE1 . GLN A 1 122 ? -28.908 -11.866 1.029   1.00 54.01 ? 128 GLN B OE1 1 
ATOM   1070 N NE2 . GLN A 1 122 ? -28.372 -10.000 2.141   1.00 53.18 ? 128 GLN B NE2 1 
ATOM   1071 N N   . VAL A 1 123 ? -27.046 -9.363  -3.177  1.00 23.23 ? 129 VAL B N   1 
ATOM   1072 C CA  . VAL A 1 123 ? -26.885 -7.924  -3.595  1.00 20.86 ? 129 VAL B CA  1 
ATOM   1073 C C   . VAL A 1 123 ? -27.441 -7.732  -5.002  1.00 20.38 ? 129 VAL B C   1 
ATOM   1074 O O   . VAL A 1 123 ? -26.802 -8.205  -5.947  1.00 18.51 ? 129 VAL B O   1 
ATOM   1075 C CB  . VAL A 1 123 ? -25.414 -7.495  -3.569  1.00 22.57 ? 129 VAL B CB  1 
ATOM   1076 C CG1 . VAL A 1 123 ? -25.200 -6.061  -4.062  1.00 22.44 ? 129 VAL B CG1 1 
ATOM   1077 C CG2 . VAL A 1 123 ? -24.805 -7.666  -2.188  1.00 25.89 ? 129 VAL B CG2 1 
ATOM   1078 N N   . PRO A 1 124 ? -28.676 -7.227  -5.199  1.00 19.37 ? 130 PRO B N   1 
ATOM   1079 C CA  . PRO A 1 124 ? -29.244 -7.090  -6.544  1.00 19.32 ? 130 PRO B CA  1 
ATOM   1080 C C   . PRO A 1 124 ? -28.265 -6.386  -7.468  1.00 19.19 ? 130 PRO B C   1 
ATOM   1081 O O   . PRO A 1 124 ? -27.750 -5.334  -7.177  1.00 19.23 ? 130 PRO B O   1 
ATOM   1082 C CB  . PRO A 1 124 ? -30.508 -6.247  -6.277  1.00 23.29 ? 130 PRO B CB  1 
ATOM   1083 C CG  . PRO A 1 124 ? -30.931 -6.740  -4.894  1.00 22.21 ? 130 PRO B CG  1 
ATOM   1084 C CD  . PRO A 1 124 ? -29.639 -6.805  -4.154  1.00 21.03 ? 130 PRO B CD  1 
ATOM   1085 N N   . PRO A 1 125 ? -27.858 -6.998  -8.589  1.00 16.71 ? 131 PRO B N   1 
ATOM   1086 C CA  . PRO A 1 125 ? -26.857 -6.407  -9.459  1.00 16.49 ? 131 PRO B CA  1 
ATOM   1087 C C   . PRO A 1 125 ? -27.354 -5.183  -10.227 1.00 15.99 ? 131 PRO B C   1 
ATOM   1088 O O   . PRO A 1 125 ? -28.451 -5.259  -10.780 1.00 16.92 ? 131 PRO B O   1 
ATOM   1089 C CB  . PRO A 1 125 ? -26.437 -7.592  -10.350 1.00 18.33 ? 131 PRO B CB  1 
ATOM   1090 C CG  . PRO A 1 125 ? -27.540 -8.564  -10.287 1.00 19.76 ? 131 PRO B CG  1 
ATOM   1091 C CD  . PRO A 1 125 ? -28.199 -8.384  -8.950  1.00 17.11 ? 131 PRO B CD  1 
ATOM   1092 N N   . CYS A 1 126 ? -26.495 -4.181  -10.348 1.00 16.33 ? 132 CYS B N   1 
ATOM   1093 C CA  . CYS A 1 126 ? -26.697 -3.070  -11.316 1.00 16.66 ? 132 CYS B CA  1 
ATOM   1094 C C   . CYS A 1 126 ? -25.917 -3.331  -12.606 1.00 15.48 ? 132 CYS B C   1 
ATOM   1095 O O   . CYS A 1 126 ? -26.248 -2.751  -13.627 1.00 15.04 ? 132 CYS B O   1 
ATOM   1096 C CB  . CYS A 1 126 ? -26.304 -1.729  -10.730 1.00 20.63 ? 132 CYS B CB  1 
ATOM   1097 S SG  . CYS A 1 126 ? -27.353 -1.281  -9.313  1.00 29.16 ? 132 CYS B SG  1 
ATOM   1098 N N   A GLN A 1 127 ? -24.848 -4.138  -12.567 0.25 15.54 ? 133 GLN B N   1 
ATOM   1099 N N   B GLN A 1 127 ? -24.944 -4.240  -12.539 0.25 15.63 ? 133 GLN B N   1 
ATOM   1100 C CA  A GLN A 1 127 ? -24.095 -4.538  -13.791 0.25 16.08 ? 133 GLN B CA  1 
ATOM   1101 C CA  B GLN A 1 127 ? -24.059 -4.575  -13.677 0.25 16.66 ? 133 GLN B CA  1 
ATOM   1102 C C   A GLN A 1 127 ? -23.700 -6.013  -13.678 0.25 15.39 ? 133 GLN B C   1 
ATOM   1103 C C   B GLN A 1 127 ? -23.816 -6.087  -13.630 0.25 15.84 ? 133 GLN B C   1 
ATOM   1104 O O   A GLN A 1 127 ? -23.262 -6.448  -12.590 0.25 13.52 ? 133 GLN B O   1 
ATOM   1105 O O   B GLN A 1 127 ? -23.710 -6.660  -12.518 0.25 13.90 ? 133 GLN B O   1 
ATOM   1106 C CB  A GLN A 1 127 ? -22.818 -3.731  -14.057 0.25 18.08 ? 133 GLN B CB  1 
ATOM   1107 C CB  B GLN A 1 127 ? -22.778 -3.741  -13.619 0.25 19.34 ? 133 GLN B CB  1 
ATOM   1108 C CG  A GLN A 1 127 ? -23.027 -2.258  -14.366 0.25 19.67 ? 133 GLN B CG  1 
ATOM   1109 C CG  B GLN A 1 127 ? -23.021 -2.243  -13.725 0.25 20.84 ? 133 GLN B CG  1 
ATOM   1110 C CD  A GLN A 1 127 ? -22.902 -1.442  -13.106 0.25 22.26 ? 133 GLN B CD  1 
ATOM   1111 C CD  B GLN A 1 127 ? -21.789 -1.450  -14.086 0.25 23.14 ? 133 GLN B CD  1 
ATOM   1112 O OE1 A GLN A 1 127 ? -22.090 -1.752  -12.235 0.25 22.82 ? 133 GLN B OE1 1 
ATOM   1113 O OE1 B GLN A 1 127 ? -20.685 -1.978  -14.184 0.25 27.05 ? 133 GLN B OE1 1 
ATOM   1114 N NE2 A GLN A 1 127 ? -23.741 -0.423  -12.981 0.25 22.94 ? 133 GLN B NE2 1 
ATOM   1115 N NE2 B GLN A 1 127 ? -21.972 -0.160  -14.281 0.25 24.88 ? 133 GLN B NE2 1 
ATOM   1116 N N   . ILE A 1 128 ? -23.843 -6.720  -14.806 1.00 14.26 ? 134 ILE B N   1 
ATOM   1117 C CA  . ILE A 1 128 ? -23.654 -8.190  -14.961 1.00 13.96 ? 134 ILE B CA  1 
ATOM   1118 C C   . ILE A 1 128 ? -22.441 -8.364  -15.880 1.00 14.41 ? 134 ILE B C   1 
ATOM   1119 O O   . ILE A 1 128 ? -22.372 -7.756  -16.979 1.00 13.74 ? 134 ILE B O   1 
ATOM   1120 C CB  . ILE A 1 128 ? -24.902 -8.839  -15.557 1.00 14.59 ? 134 ILE B CB  1 
ATOM   1121 C CG1 . ILE A 1 128 ? -26.180 -8.639  -14.733 1.00 18.03 ? 134 ILE B CG1 1 
ATOM   1122 C CG2 . ILE A 1 128 ? -24.636 -10.318 -15.841 1.00 14.95 ? 134 ILE B CG2 1 
ATOM   1123 C CD1 . ILE A 1 128 ? -26.238 -9.429  -13.533 1.00 18.04 ? 134 ILE B CD1 1 
ATOM   1124 N N   . GLY A 1 129 ? -21.498 -9.229  -15.488 1.00 13.82 ? 135 GLY B N   1 
ATOM   1125 C CA  . GLY A 1 129 ? -20.422 -9.673  -16.374 1.00 14.03 ? 135 GLY B CA  1 
ATOM   1126 C C   . GLY A 1 129 ? -20.736 -11.037 -16.957 1.00 13.77 ? 135 GLY B C   1 
ATOM   1127 O O   . GLY A 1 129 ? -21.270 -11.907 -16.268 1.00 13.34 ? 135 GLY B O   1 
ATOM   1128 N N   . ILE A 1 130 ? -20.452 -11.200 -18.255 1.00 13.45 ? 136 ILE B N   1 
ATOM   1129 C CA  . ILE A 1 130 ? -20.724 -12.458 -19.010 1.00 12.26 ? 136 ILE B CA  1 
ATOM   1130 C C   . ILE A 1 130 ? -19.412 -12.954 -19.614 1.00 13.65 ? 136 ILE B C   1 
ATOM   1131 O O   . ILE A 1 130 ? -18.728 -12.201 -20.299 1.00 13.99 ? 136 ILE B O   1 
ATOM   1132 C CB  . ILE A 1 130 ? -21.786 -12.237 -20.098 1.00 13.86 ? 136 ILE B CB  1 
ATOM   1133 C CG1 . ILE A 1 130 ? -23.075 -11.715 -19.480 1.00 15.77 ? 136 ILE B CG1 1 
ATOM   1134 C CG2 . ILE A 1 130 ? -22.024 -13.508 -20.897 1.00 14.83 ? 136 ILE B CG2 1 
ATOM   1135 C CD1 . ILE A 1 130 ? -24.091 -11.319 -20.464 1.00 18.96 ? 136 ILE B CD1 1 
ATOM   1136 N N   . PHE A 1 131 ? -19.060 -14.176 -19.259 1.00 13.19 ? 137 PHE B N   1 
ATOM   1137 C CA  . PHE A 1 131 ? -17.804 -14.819 -19.710 1.00 12.51 ? 137 PHE B CA  1 
ATOM   1138 C C   . PHE A 1 131 ? -18.171 -16.052 -20.513 1.00 12.76 ? 137 PHE B C   1 
ATOM   1139 O O   . PHE A 1 131 ? -18.924 -16.916 -20.039 1.00 13.85 ? 137 PHE B O   1 
ATOM   1140 C CB  . PHE A 1 131 ? -16.929 -15.226 -18.533 1.00 13.98 ? 137 PHE B CB  1 
ATOM   1141 C CG  . PHE A 1 131 ? -15.683 -15.984 -18.910 1.00 15.07 ? 137 PHE B CG  1 
ATOM   1142 C CD1 . PHE A 1 131 ? -14.660 -15.355 -19.569 1.00 16.58 ? 137 PHE B CD1 1 
ATOM   1143 C CD2 . PHE A 1 131 ? -15.518 -17.300 -18.529 1.00 16.29 ? 137 PHE B CD2 1 
ATOM   1144 C CE1 . PHE A 1 131 ? -13.489 -16.054 -19.865 1.00 18.52 ? 137 PHE B CE1 1 
ATOM   1145 C CE2 . PHE A 1 131 ? -14.372 -18.012 -18.868 1.00 17.62 ? 137 PHE B CE2 1 
ATOM   1146 C CZ  . PHE A 1 131 ? -13.359 -17.372 -19.517 1.00 16.98 ? 137 PHE B CZ  1 
ATOM   1147 N N   . VAL A 1 132 ? -17.582 -16.177 -21.708 1.00 12.91 ? 138 VAL B N   1 
ATOM   1148 C CA  . VAL A 1 132 ? -17.737 -17.364 -22.576 1.00 13.05 ? 138 VAL B CA  1 
ATOM   1149 C C   . VAL A 1 132 ? -16.359 -17.959 -22.862 1.00 12.28 ? 138 VAL B C   1 
ATOM   1150 O O   . VAL A 1 132 ? -15.477 -17.254 -23.337 1.00 14.40 ? 138 VAL B O   1 
ATOM   1151 C CB  . VAL A 1 132 ? -18.474 -17.045 -23.888 1.00 13.36 ? 138 VAL B CB  1 
ATOM   1152 C CG1 . VAL A 1 132 ? -18.627 -18.305 -24.728 1.00 15.42 ? 138 VAL B CG1 1 
ATOM   1153 C CG2 . VAL A 1 132 ? -19.839 -16.416 -23.574 1.00 15.14 ? 138 VAL B CG2 1 
ATOM   1154 N N   . ASP A 1 133 ? -16.219 -19.242 -22.546 1.00 12.85 ? 139 ASP B N   1 
ATOM   1155 C CA  . ASP A 1 133 ? -15.040 -20.030 -23.011 1.00 14.55 ? 139 ASP B CA  1 
ATOM   1156 C C   . ASP A 1 133 ? -15.540 -21.057 -24.025 1.00 12.91 ? 139 ASP B C   1 
ATOM   1157 O O   . ASP A 1 133 ? -16.166 -22.051 -23.645 1.00 13.73 ? 139 ASP B O   1 
ATOM   1158 C CB  . ASP A 1 133 ? -14.292 -20.620 -21.848 1.00 14.00 ? 139 ASP B CB  1 
ATOM   1159 C CG  . ASP A 1 133 ? -13.017 -21.365 -22.222 1.00 17.60 ? 139 ASP B CG  1 
ATOM   1160 O OD1 . ASP A 1 133 ? -12.934 -21.875 -23.360 1.00 18.08 ? 139 ASP B OD1 1 
ATOM   1161 O OD2 . ASP A 1 133 ? -12.205 -21.541 -21.251 1.00 21.18 ? 139 ASP B OD2 1 
ATOM   1162 N N   . TYR A 1 134 ? -15.322 -20.774 -25.311 1.00 14.69 ? 140 TYR B N   1 
ATOM   1163 C CA  . TYR A 1 134 ? -15.891 -21.612 -26.383 1.00 13.94 ? 140 TYR B CA  1 
ATOM   1164 C C   . TYR A 1 134 ? -15.377 -23.064 -26.303 1.00 15.13 ? 140 TYR B C   1 
ATOM   1165 O O   . TYR A 1 134 ? -16.134 -23.997 -26.246 1.00 16.67 ? 140 TYR B O   1 
ATOM   1166 C CB  . TYR A 1 134 ? -15.648 -20.975 -27.762 1.00 14.42 ? 140 TYR B CB  1 
ATOM   1167 C CG  . TYR A 1 134 ? -16.581 -21.564 -28.786 1.00 14.74 ? 140 TYR B CG  1 
ATOM   1168 C CD1 . TYR A 1 134 ? -16.416 -22.856 -29.260 1.00 15.01 ? 140 TYR B CD1 1 
ATOM   1169 C CD2 . TYR A 1 134 ? -17.739 -20.902 -29.197 1.00 14.70 ? 140 TYR B CD2 1 
ATOM   1170 C CE1 . TYR A 1 134 ? -17.300 -23.434 -30.145 1.00 15.00 ? 140 TYR B CE1 1 
ATOM   1171 C CE2 . TYR A 1 134 ? -18.640 -21.485 -30.063 1.00 14.22 ? 140 TYR B CE2 1 
ATOM   1172 C CZ  . TYR A 1 134 ? -18.430 -22.755 -30.573 1.00 14.42 ? 140 TYR B CZ  1 
ATOM   1173 O OH  . TYR A 1 134 ? -19.322 -23.368 -31.389 1.00 14.91 ? 140 TYR B OH  1 
ATOM   1174 N N   . GLU A 1 135 ? -14.071 -23.185 -26.209 1.00 16.84 ? 141 GLU B N   1 
ATOM   1175 C CA  . GLU A 1 135 ? -13.434 -24.536 -26.213 1.00 17.55 ? 141 GLU B CA  1 
ATOM   1176 C C   . GLU A 1 135 ? -13.858 -25.335 -24.999 1.00 17.12 ? 141 GLU B C   1 
ATOM   1177 O O   . GLU A 1 135 ? -14.195 -26.519 -25.163 1.00 19.83 ? 141 GLU B O   1 
ATOM   1178 C CB  . GLU A 1 135 ? -11.927 -24.424 -26.306 1.00 19.73 ? 141 GLU B CB  1 
ATOM   1179 C CG  . GLU A 1 135 ? -11.497 -24.225 -27.772 1.00 25.96 ? 141 GLU B CG  1 
ATOM   1180 C CD  . GLU A 1 135 ? -11.855 -22.898 -28.349 1.00 28.64 ? 141 GLU B CD  1 
ATOM   1181 O OE1 . GLU A 1 135 ? -12.093 -22.845 -29.521 1.00 26.35 ? 141 GLU B OE1 1 
ATOM   1182 O OE2 . GLU A 1 135 ? -11.901 -21.893 -27.576 1.00 30.50 ? 141 GLU B OE2 1 
ATOM   1183 N N   . ALA A 1 136 ? -13.916 -24.714 -23.818 1.00 15.76 ? 142 ALA B N   1 
ATOM   1184 C CA  . ALA A 1 136 ? -14.283 -25.396 -22.564 1.00 16.44 ? 142 ALA B CA  1 
ATOM   1185 C C   . ALA A 1 136 ? -15.784 -25.691 -22.485 1.00 16.50 ? 142 ALA B C   1 
ATOM   1186 O O   . ALA A 1 136 ? -16.186 -26.555 -21.708 1.00 18.42 ? 142 ALA B O   1 
ATOM   1187 C CB  . ALA A 1 136 ? -13.858 -24.553 -21.383 1.00 18.28 ? 142 ALA B CB  1 
ATOM   1188 N N   . GLY A 1 137 ? -16.623 -25.062 -23.298 1.00 14.39 ? 143 GLY B N   1 
ATOM   1189 C CA  . GLY A 1 137 ? -18.075 -25.207 -23.209 1.00 13.67 ? 143 GLY B CA  1 
ATOM   1190 C C   . GLY A 1 137 ? -18.638 -24.567 -21.928 1.00 12.58 ? 143 GLY B C   1 
ATOM   1191 O O   . GLY A 1 137 ? -19.411 -25.258 -21.201 1.00 13.55 ? 143 GLY B O   1 
ATOM   1192 N N   . VAL A 1 138 ? -18.219 -23.348 -21.635 1.00 13.17 ? 144 VAL B N   1 
ATOM   1193 C CA  . VAL A 1 138 ? -18.621 -22.634 -20.383 1.00 12.72 ? 144 VAL B CA  1 
ATOM   1194 C C   . VAL A 1 138 ? -19.239 -21.283 -20.725 1.00 12.08 ? 144 VAL B C   1 
ATOM   1195 O O   . VAL A 1 138 ? -18.630 -20.484 -21.465 1.00 13.86 ? 144 VAL B O   1 
ATOM   1196 C CB  . VAL A 1 138 ? -17.388 -22.468 -19.470 1.00 13.91 ? 144 VAL B CB  1 
ATOM   1197 C CG1 . VAL A 1 138 ? -17.647 -21.493 -18.322 1.00 14.71 ? 144 VAL B CG1 1 
ATOM   1198 C CG2 . VAL A 1 138 ? -16.929 -23.834 -19.002 1.00 15.41 ? 144 VAL B CG2 1 
ATOM   1199 N N   . VAL A 1 139 ? -20.327 -20.969 -20.015 1.00 12.81 ? 145 VAL B N   1 
ATOM   1200 C CA  . VAL A 1 139 ? -20.874 -19.580 -19.949 1.00 12.14 ? 145 VAL B CA  1 
ATOM   1201 C C   . VAL A 1 139 ? -21.071 -19.231 -18.465 1.00 11.42 ? 145 VAL B C   1 
ATOM   1202 O O   . VAL A 1 139 ? -21.841 -19.946 -17.779 1.00 12.57 ? 145 VAL B O   1 
ATOM   1203 C CB  . VAL A 1 139 ? -22.200 -19.451 -20.711 1.00 12.43 ? 145 VAL B CB  1 
ATOM   1204 C CG1 . VAL A 1 139 ? -22.675 -17.998 -20.719 1.00 12.49 ? 145 VAL B CG1 1 
ATOM   1205 C CG2 . VAL A 1 139 ? -22.065 -19.993 -22.121 1.00 12.64 ? 145 VAL B CG2 1 
ATOM   1206 N N   . SER A 1 140 ? -20.425 -18.183 -18.000 1.00 11.85 ? 146 SER B N   1 
ATOM   1207 C CA  . SER A 1 140 ? -20.515 -17.772 -16.585 1.00 13.01 ? 146 SER B CA  1 
ATOM   1208 C C   . SER A 1 140 ? -20.980 -16.327 -16.476 1.00 12.18 ? 146 SER B C   1 
ATOM   1209 O O   . SER A 1 140 ? -20.687 -15.497 -17.325 1.00 12.70 ? 146 SER B O   1 
ATOM   1210 C CB  . SER A 1 140 ? -19.173 -17.955 -15.896 1.00 12.69 ? 146 SER B CB  1 
ATOM   1211 O OG  . SER A 1 140 ? -18.843 -19.332 -15.765 1.00 14.20 ? 146 SER B OG  1 
ATOM   1212 N N   . PHE A 1 141 ? -21.681 -16.061 -15.384 1.00 11.79 ? 147 PHE B N   1 
ATOM   1213 C CA  . PHE A 1 141 ? -22.292 -14.762 -15.049 1.00 12.67 ? 147 PHE B CA  1 
ATOM   1214 C C   . PHE A 1 141 ? -21.739 -14.281 -13.727 1.00 12.23 ? 147 PHE B C   1 
ATOM   1215 O O   . PHE A 1 141 ? -21.767 -15.098 -12.766 1.00 11.95 ? 147 PHE B O   1 
ATOM   1216 C CB  . PHE A 1 141 ? -23.834 -14.845 -15.033 1.00 12.29 ? 147 PHE B CB  1 
ATOM   1217 C CG  . PHE A 1 141 ? -24.425 -15.247 -16.364 1.00 11.15 ? 147 PHE B CG  1 
ATOM   1218 C CD1 . PHE A 1 141 ? -24.461 -16.583 -16.753 1.00 11.40 ? 147 PHE B CD1 1 
ATOM   1219 C CD2 . PHE A 1 141 ? -24.912 -14.290 -17.265 1.00 11.81 ? 147 PHE B CD2 1 
ATOM   1220 C CE1 . PHE A 1 141 ? -24.980 -16.954 -17.990 1.00 11.56 ? 147 PHE B CE1 1 
ATOM   1221 C CE2 . PHE A 1 141 ? -25.433 -14.679 -18.496 1.00 11.49 ? 147 PHE B CE2 1 
ATOM   1222 C CZ  . PHE A 1 141 ? -25.470 -16.006 -18.876 1.00 10.80 ? 147 PHE B CZ  1 
ATOM   1223 N N   . TYR A 1 142 ? -21.437 -13.001 -13.651 1.00 12.51 ? 148 TYR B N   1 
ATOM   1224 C CA  . TYR A 1 142 ? -20.768 -12.383 -12.485 1.00 13.92 ? 148 TYR B CA  1 
ATOM   1225 C C   . TYR A 1 142 ? -21.548 -11.143 -12.051 1.00 15.66 ? 148 TYR B C   1 
ATOM   1226 O O   . TYR A 1 142 ? -22.025 -10.352 -12.882 1.00 13.97 ? 148 TYR B O   1 
ATOM   1227 C CB  . TYR A 1 142 ? -19.291 -12.095 -12.754 1.00 14.57 ? 148 TYR B CB  1 
ATOM   1228 C CG  . TYR A 1 142 ? -18.481 -13.333 -13.037 1.00 14.79 ? 148 TYR B CG  1 
ATOM   1229 C CD1 . TYR A 1 142 ? -17.997 -14.097 -12.003 1.00 15.43 ? 148 TYR B CD1 1 
ATOM   1230 C CD2 . TYR A 1 142 ? -18.296 -13.823 -14.323 1.00 15.86 ? 148 TYR B CD2 1 
ATOM   1231 C CE1 . TYR A 1 142 ? -17.333 -15.286 -12.242 1.00 16.23 ? 148 TYR B CE1 1 
ATOM   1232 C CE2 . TYR A 1 142 ? -17.607 -14.993 -14.582 1.00 15.11 ? 148 TYR B CE2 1 
ATOM   1233 C CZ  . TYR A 1 142 ? -17.081 -15.720 -13.528 1.00 16.37 ? 148 TYR B CZ  1 
ATOM   1234 O OH  . TYR A 1 142 ? -16.446 -16.916 -13.803 1.00 18.43 ? 148 TYR B OH  1 
ATOM   1235 N N   . ASN A 1 143 ? -21.573 -10.899 -10.748 1.00 16.23 ? 149 ASN B N   1 
ATOM   1236 C CA  . ASN A 1 143 ? -22.267 -9.742  -10.099 1.00 15.50 ? 149 ASN B CA  1 
ATOM   1237 C C   . ASN A 1 143 ? -21.249 -8.614  -9.928  1.00 15.57 ? 149 ASN B C   1 
ATOM   1238 O O   . ASN A 1 143 ? -20.474 -8.659  -8.939  1.00 17.18 ? 149 ASN B O   1 
ATOM   1239 C CB  . ASN A 1 143 ? -22.914 -10.199 -8.799  1.00 15.42 ? 149 ASN B CB  1 
ATOM   1240 C CG  . ASN A 1 143 ? -23.720 -9.098  -8.120  1.00 14.90 ? 149 ASN B CG  1 
ATOM   1241 O OD1 . ASN A 1 143 ? -23.542 -7.929  -8.475  1.00 16.93 ? 149 ASN B OD1 1 
ATOM   1242 N ND2 . ASN A 1 143 ? -24.634 -9.491  -7.281  1.00 16.53 ? 149 ASN B ND2 1 
ATOM   1243 N N   . ILE A 1 144 ? -21.179 -7.639  -10.835 1.00 16.92 ? 150 ILE B N   1 
ATOM   1244 C CA  . ILE A 1 144 ? -20.099 -6.622  -10.807 1.00 18.19 ? 150 ILE B CA  1 
ATOM   1245 C C   . ILE A 1 144 ? -20.345 -5.738  -9.565  1.00 18.72 ? 150 ILE B C   1 
ATOM   1246 O O   . ILE A 1 144 ? -19.358 -5.288  -8.943  1.00 21.14 ? 150 ILE B O   1 
ATOM   1247 C CB  . ILE A 1 144 ? -20.094 -5.826  -12.113 1.00 19.07 ? 150 ILE B CB  1 
ATOM   1248 C CG1 . ILE A 1 144 ? -19.922 -6.724  -13.346 1.00 19.24 ? 150 ILE B CG1 1 
ATOM   1249 C CG2 . ILE A 1 144 ? -19.067 -4.702  -12.057 1.00 21.66 ? 150 ILE B CG2 1 
ATOM   1250 C CD1 . ILE A 1 144 ? -18.870 -7.786  -13.174 1.00 23.12 ? 150 ILE B CD1 1 
ATOM   1251 N N   . THR A 1 145 ? -21.592 -5.530  -9.186  1.00 18.21 ? 151 THR B N   1 
ATOM   1252 C CA  . THR A 1 145 ? -21.972 -4.680  -8.003  1.00 18.34 ? 151 THR B CA  1 
ATOM   1253 C C   . THR A 1 145 ? -21.419 -5.313  -6.721  1.00 22.41 ? 151 THR B C   1 
ATOM   1254 O O   . THR A 1 145 ? -20.990 -4.552  -5.820  1.00 26.19 ? 151 THR B O   1 
ATOM   1255 C CB  . THR A 1 145 ? -23.502 -4.559  -7.929  1.00 18.24 ? 151 THR B CB  1 
ATOM   1256 O OG1 . THR A 1 145 ? -23.959 -4.094  -9.196  1.00 18.51 ? 151 THR B OG1 1 
ATOM   1257 C CG2 . THR A 1 145 ? -23.916 -3.566  -6.859  1.00 19.32 ? 151 THR B CG2 1 
ATOM   1258 N N   . ASP A 1 146 ? -21.378 -6.639  -6.637  1.00 20.73 ? 152 ASP B N   1 
ATOM   1259 C CA  . ASP A 1 146 ? -20.856 -7.403  -5.463  1.00 20.88 ? 152 ASP B CA  1 
ATOM   1260 C C   . ASP A 1 146 ? -19.440 -7.942  -5.734  1.00 22.57 ? 152 ASP B C   1 
ATOM   1261 O O   . ASP A 1 146 ? -19.235 -9.148  -5.552  1.00 22.37 ? 152 ASP B O   1 
ATOM   1262 C CB  . ASP A 1 146 ? -21.897 -8.413  -5.059  1.00 20.31 ? 152 ASP B CB  1 
ATOM   1263 C CG  . ASP A 1 146 ? -21.518 -9.220  -3.843  1.00 25.68 ? 152 ASP B CG  1 
ATOM   1264 O OD1 . ASP A 1 146 ? -21.046 -8.591  -2.889  1.00 24.59 ? 152 ASP B OD1 1 
ATOM   1265 O OD2 . ASP A 1 146 ? -21.700 -10.453 -3.884  1.00 24.78 ? 152 ASP B OD2 1 
ATOM   1266 N N   . HIS A 1 147 ? -18.522 -7.088  -6.174  1.00 24.64 ? 153 HIS B N   1 
ATOM   1267 C CA  . HIS A 1 147 ? -17.067 -7.387  -6.270  1.00 28.25 ? 153 HIS B CA  1 
ATOM   1268 C C   . HIS A 1 147 ? -16.875 -8.585  -7.206  1.00 26.87 ? 153 HIS B C   1 
ATOM   1269 O O   . HIS A 1 147 ? -15.985 -9.393  -6.979  1.00 28.71 ? 153 HIS B O   1 
ATOM   1270 C CB  . HIS A 1 147 ? -16.439 -7.722  -4.901  1.00 33.12 ? 153 HIS B CB  1 
ATOM   1271 C CG  . HIS A 1 147 ? -16.744 -6.794  -3.763  1.00 41.56 ? 153 HIS B CG  1 
ATOM   1272 N ND1 . HIS A 1 147 ? -16.254 -5.498  -3.703  1.00 51.24 ? 153 HIS B ND1 1 
ATOM   1273 C CD2 . HIS A 1 147 ? -17.444 -6.990  -2.623  1.00 47.31 ? 153 HIS B CD2 1 
ATOM   1274 C CE1 . HIS A 1 147 ? -16.668 -4.920  -2.589  1.00 51.68 ? 153 HIS B CE1 1 
ATOM   1275 N NE2 . HIS A 1 147 ? -17.402 -5.819  -1.904  1.00 50.13 ? 153 HIS B NE2 1 
ATOM   1276 N N   . GLY A 1 148 ? -17.757 -8.769  -8.187  1.00 21.53 ? 154 GLY B N   1 
ATOM   1277 C CA  . GLY A 1 148 ? -17.527 -9.812  -9.211  1.00 19.64 ? 154 GLY B CA  1 
ATOM   1278 C C   . GLY A 1 148 ? -17.949 -11.189 -8.761  1.00 17.51 ? 154 GLY B C   1 
ATOM   1279 O O   . GLY A 1 148 ? -17.447 -12.110 -9.364  1.00 18.13 ? 154 GLY B O   1 
ATOM   1280 N N   . SER A 1 149 ? -18.766 -11.339 -7.742  1.00 16.91 ? 155 SER B N   1 
ATOM   1281 C CA  . SER A 1 149 ? -19.125 -12.671 -7.197  1.00 15.09 ? 155 SER B CA  1 
ATOM   1282 C C   . SER A 1 149 ? -19.807 -13.512 -8.289  1.00 15.78 ? 155 SER B C   1 
ATOM   1283 O O   . SER A 1 149 ? -20.603 -12.988 -9.105  1.00 16.21 ? 155 SER B O   1 
ATOM   1284 C CB  . SER A 1 149 ? -20.002 -12.578 -5.998  1.00 17.14 ? 155 SER B CB  1 
ATOM   1285 O OG  . SER A 1 149 ? -21.196 -11.827 -6.203  1.00 18.12 ? 155 SER B OG  1 
ATOM   1286 N N   . LEU A 1 150 ? -19.616 -14.800 -8.281  1.00 14.44 ? 156 LEU B N   1 
ATOM   1287 C CA  . LEU A 1 150 ? -20.278 -15.710 -9.250  1.00 13.78 ? 156 LEU B CA  1 
ATOM   1288 C C   . LEU A 1 150 ? -21.773 -15.744 -9.018  1.00 13.22 ? 156 LEU B C   1 
ATOM   1289 O O   . LEU A 1 150 ? -22.282 -15.971 -7.892  1.00 14.68 ? 156 LEU B O   1 
ATOM   1290 C CB  . LEU A 1 150 ? -19.679 -17.119 -9.123  1.00 13.54 ? 156 LEU B CB  1 
ATOM   1291 C CG  . LEU A 1 150 ? -20.232 -18.168 -10.098 1.00 14.54 ? 156 LEU B CG  1 
ATOM   1292 C CD1 . LEU A 1 150 ? -19.850 -17.892 -11.529 1.00 14.76 ? 156 LEU B CD1 1 
ATOM   1293 C CD2 . LEU A 1 150 ? -19.674 -19.565 -9.685  1.00 15.42 ? 156 LEU B CD2 1 
ATOM   1294 N N   . ILE A 1 151 ? -22.541 -15.620 -10.115 1.00 12.30 ? 157 ILE B N   1 
ATOM   1295 C CA  . ILE A 1 151 ? -23.992 -15.847 -10.163 1.00 13.57 ? 157 ILE B CA  1 
ATOM   1296 C C   . ILE A 1 151 ? -24.322 -17.261 -10.630 1.00 11.96 ? 157 ILE B C   1 
ATOM   1297 O O   . ILE A 1 151 ? -25.141 -17.957 -10.017 1.00 12.64 ? 157 ILE B O   1 
ATOM   1298 C CB  . ILE A 1 151 ? -24.664 -14.764 -11.034 1.00 13.06 ? 157 ILE B CB  1 
ATOM   1299 C CG1 . ILE A 1 151 ? -24.494 -13.373 -10.446 1.00 13.87 ? 157 ILE B CG1 1 
ATOM   1300 C CG2 . ILE A 1 151 ? -26.138 -15.101 -11.210 1.00 13.64 ? 157 ILE B CG2 1 
ATOM   1301 C CD1 . ILE A 1 151 ? -24.899 -12.262 -11.391 1.00 14.42 ? 157 ILE B CD1 1 
ATOM   1302 N N   . TYR A 1 152 ? -23.757 -17.684 -11.763 1.00 12.12 ? 158 TYR B N   1 
ATOM   1303 C CA  . TYR A 1 152 ? -24.155 -18.972 -12.376 1.00 10.94 ? 158 TYR B CA  1 
ATOM   1304 C C   . TYR A 1 152 ? -23.099 -19.358 -13.410 1.00 11.50 ? 158 TYR B C   1 
ATOM   1305 O O   . TYR A 1 152 ? -22.626 -18.488 -14.172 1.00 11.74 ? 158 TYR B O   1 
ATOM   1306 C CB  . TYR A 1 152 ? -25.539 -18.893 -13.075 1.00 11.89 ? 158 TYR B CB  1 
ATOM   1307 C CG  . TYR A 1 152 ? -26.085 -20.245 -13.414 1.00 11.88 ? 158 TYR B CG  1 
ATOM   1308 C CD1 . TYR A 1 152 ? -26.703 -21.047 -12.461 1.00 12.41 ? 158 TYR B CD1 1 
ATOM   1309 C CD2 . TYR A 1 152 ? -25.946 -20.786 -14.683 1.00 11.45 ? 158 TYR B CD2 1 
ATOM   1310 C CE1 . TYR A 1 152 ? -27.144 -22.316 -12.767 1.00 13.47 ? 158 TYR B CE1 1 
ATOM   1311 C CE2 . TYR A 1 152 ? -26.385 -22.054 -15.009 1.00 13.40 ? 158 TYR B CE2 1 
ATOM   1312 C CZ  . TYR A 1 152 ? -26.975 -22.826 -14.038 1.00 13.22 ? 158 TYR B CZ  1 
ATOM   1313 O OH  . TYR A 1 152 ? -27.360 -24.117 -14.270 1.00 15.89 ? 158 TYR B OH  1 
ATOM   1314 N N   . THR A 1 153 ? -22.843 -20.670 -13.515 1.00 11.72 ? 159 THR B N   1 
ATOM   1315 C CA  . THR A 1 153 ? -21.995 -21.290 -14.572 1.00 11.98 ? 159 THR B CA  1 
ATOM   1316 C C   . THR A 1 153 ? -22.763 -22.397 -15.261 1.00 12.59 ? 159 THR B C   1 
ATOM   1317 O O   . THR A 1 153 ? -23.157 -23.382 -14.627 1.00 13.17 ? 159 THR B O   1 
ATOM   1318 C CB  . THR A 1 153 ? -20.667 -21.837 -14.020 1.00 13.13 ? 159 THR B CB  1 
ATOM   1319 O OG1 . THR A 1 153 ? -19.894 -20.717 -13.597 1.00 13.20 ? 159 THR B OG1 1 
ATOM   1320 C CG2 . THR A 1 153 ? -19.913 -22.672 -15.038 1.00 14.33 ? 159 THR B CG2 1 
ATOM   1321 N N   . PHE A 1 154 ? -23.014 -22.232 -16.566 1.00 12.52 ? 160 PHE B N   1 
ATOM   1322 C CA  . PHE A 1 154 ? -23.396 -23.329 -17.492 1.00 11.98 ? 160 PHE B CA  1 
ATOM   1323 C C   . PHE A 1 154 ? -22.082 -24.011 -17.895 1.00 12.60 ? 160 PHE B C   1 
ATOM   1324 O O   . PHE A 1 154 ? -21.220 -23.369 -18.488 1.00 13.52 ? 160 PHE B O   1 
ATOM   1325 C CB  . PHE A 1 154 ? -24.065 -22.801 -18.772 1.00 13.19 ? 160 PHE B CB  1 
ATOM   1326 C CG  . PHE A 1 154 ? -25.440 -22.195 -18.594 1.00 11.68 ? 160 PHE B CG  1 
ATOM   1327 C CD1 . PHE A 1 154 ? -25.610 -20.837 -18.309 1.00 11.79 ? 160 PHE B CD1 1 
ATOM   1328 C CD2 . PHE A 1 154 ? -26.573 -22.957 -18.816 1.00 12.32 ? 160 PHE B CD2 1 
ATOM   1329 C CE1 . PHE A 1 154 ? -26.885 -20.306 -18.189 1.00 12.48 ? 160 PHE B CE1 1 
ATOM   1330 C CE2 . PHE A 1 154 ? -27.851 -22.411 -18.698 1.00 12.97 ? 160 PHE B CE2 1 
ATOM   1331 C CZ  . PHE A 1 154 ? -27.989 -21.067 -18.427 1.00 11.64 ? 160 PHE B CZ  1 
ATOM   1332 N N   . SER A 1 155 ? -21.994 -25.300 -17.588 1.00 13.87 ? 161 SER B N   1 
ATOM   1333 C CA  . SER A 1 155 ? -20.859 -26.087 -18.090 1.00 15.09 ? 161 SER B CA  1 
ATOM   1334 C C   . SER A 1 155 ? -21.359 -27.246 -18.945 1.00 14.11 ? 161 SER B C   1 
ATOM   1335 O O   . SER A 1 155 ? -22.572 -27.513 -19.022 1.00 16.30 ? 161 SER B O   1 
ATOM   1336 C CB  . SER A 1 155 ? -20.022 -26.511 -16.914 1.00 15.48 ? 161 SER B CB  1 
ATOM   1337 O OG  . SER A 1 155 ? -20.653 -27.503 -16.152 1.00 20.08 ? 161 SER B OG  1 
ATOM   1338 N N   . GLU A 1 156 ? -20.400 -27.897 -19.649 1.00 16.42 ? 162 GLU B N   1 
ATOM   1339 C CA  . GLU A 1 156 ? -20.754 -28.975 -20.619 1.00 17.70 ? 162 GLU B CA  1 
ATOM   1340 C C   . GLU A 1 156 ? -21.706 -28.432 -21.689 1.00 17.27 ? 162 GLU B C   1 
ATOM   1341 O O   . GLU A 1 156 ? -22.633 -29.158 -22.158 1.00 18.46 ? 162 GLU B O   1 
ATOM   1342 C CB  . GLU A 1 156 ? -21.400 -30.184 -19.948 1.00 21.84 ? 162 GLU B CB  1 
ATOM   1343 C CG  . GLU A 1 156 ? -20.724 -30.656 -18.688 1.00 27.15 ? 162 GLU B CG  1 
ATOM   1344 C CD  . GLU A 1 156 ? -21.330 -31.978 -18.283 1.00 37.60 ? 162 GLU B CD  1 
ATOM   1345 O OE1 . GLU A 1 156 ? -22.448 -31.973 -17.708 1.00 39.67 ? 162 GLU B OE1 1 
ATOM   1346 O OE2 . GLU A 1 156 ? -20.749 -33.005 -18.668 1.00 44.05 ? 162 GLU B OE2 1 
ATOM   1347 N N   . CYS A 1 157 ? -21.493 -27.172 -22.062 1.00 15.14 ? 163 CYS B N   1 
ATOM   1348 C CA  . CYS A 1 157 ? -22.390 -26.533 -23.036 1.00 14.63 ? 163 CYS B CA  1 
ATOM   1349 C C   . CYS A 1 157 ? -22.164 -27.198 -24.395 1.00 15.41 ? 163 CYS B C   1 
ATOM   1350 O O   . CYS A 1 157 ? -20.971 -27.409 -24.753 1.00 17.67 ? 163 CYS B O   1 
ATOM   1351 C CB  . CYS A 1 157 ? -22.181 -25.031 -23.200 1.00 14.33 ? 163 CYS B CB  1 
ATOM   1352 S SG  . CYS A 1 157 ? -22.580 -24.091 -21.704 1.00 14.65 ? 163 CYS B SG  1 
ATOM   1353 N N   . VAL A 1 158 ? -23.213 -27.393 -25.167 1.00 14.81 ? 164 VAL B N   1 
ATOM   1354 C CA  . VAL A 1 158 ? -23.084 -27.921 -26.551 1.00 16.53 ? 164 VAL B CA  1 
ATOM   1355 C C   . VAL A 1 158 ? -23.520 -26.768 -27.457 1.00 14.64 ? 164 VAL B C   1 
ATOM   1356 O O   . VAL A 1 158 ? -24.712 -26.662 -27.827 1.00 17.35 ? 164 VAL B O   1 
ATOM   1357 C CB  . VAL A 1 158 ? -23.851 -29.258 -26.711 1.00 18.89 ? 164 VAL B CB  1 
ATOM   1358 C CG1 . VAL A 1 158 ? -23.720 -29.755 -28.155 1.00 19.65 ? 164 VAL B CG1 1 
ATOM   1359 C CG2 . VAL A 1 158 ? -23.327 -30.314 -25.740 1.00 20.08 ? 164 VAL B CG2 1 
ATOM   1360 N N   . PHE A 1 159 ? -22.622 -25.849 -27.785 1.00 13.97 ? 165 PHE B N   1 
ATOM   1361 C CA  . PHE A 1 159 ? -22.948 -24.622 -28.548 1.00 15.02 ? 165 PHE B CA  1 
ATOM   1362 C C   . PHE A 1 159 ? -23.513 -25.005 -29.917 1.00 17.21 ? 165 PHE B C   1 
ATOM   1363 O O   . PHE A 1 159 ? -24.535 -24.440 -30.352 1.00 15.93 ? 165 PHE B O   1 
ATOM   1364 C CB  . PHE A 1 159 ? -21.771 -23.660 -28.561 1.00 15.40 ? 165 PHE B CB  1 
ATOM   1365 C CG  . PHE A 1 159 ? -21.323 -23.168 -27.197 1.00 13.56 ? 165 PHE B CG  1 
ATOM   1366 C CD1 . PHE A 1 159 ? -22.254 -22.680 -26.267 1.00 13.74 ? 165 PHE B CD1 1 
ATOM   1367 C CD2 . PHE A 1 159 ? -19.993 -23.199 -26.833 1.00 15.87 ? 165 PHE B CD2 1 
ATOM   1368 C CE1 . PHE A 1 159 ? -21.837 -22.216 -25.018 1.00 14.70 ? 165 PHE B CE1 1 
ATOM   1369 C CE2 . PHE A 1 159 ? -19.573 -22.720 -25.604 1.00 15.35 ? 165 PHE B CE2 1 
ATOM   1370 C CZ  . PHE A 1 159 ? -20.497 -22.213 -24.691 1.00 14.00 ? 165 PHE B CZ  1 
ATOM   1371 N N   . ALA A 1 160 ? -22.815 -25.888 -30.632 1.00 15.23 ? 166 ALA B N   1 
ATOM   1372 C CA  . ALA A 1 160 ? -23.291 -26.472 -31.906 1.00 16.31 ? 166 ALA B CA  1 
ATOM   1373 C C   . ALA A 1 160 ? -23.397 -25.393 -32.997 1.00 15.04 ? 166 ALA B C   1 
ATOM   1374 O O   . ALA A 1 160 ? -24.215 -25.585 -33.951 1.00 16.41 ? 166 ALA B O   1 
ATOM   1375 C CB  . ALA A 1 160 ? -24.555 -27.239 -31.705 1.00 16.85 ? 166 ALA B CB  1 
ATOM   1376 N N   . GLY A 1 161 ? -22.619 -24.345 -32.918 1.00 15.85 ? 167 GLY B N   1 
ATOM   1377 C CA  . GLY A 1 161 ? -22.620 -23.251 -33.896 1.00 17.13 ? 167 GLY B CA  1 
ATOM   1378 C C   . GLY A 1 161 ? -21.932 -22.013 -33.381 1.00 15.59 ? 167 GLY B C   1 
ATOM   1379 O O   . GLY A 1 161 ? -21.521 -21.954 -32.198 1.00 15.31 ? 167 GLY B O   1 
ATOM   1380 N N   . PRO A 1 162 ? -21.826 -20.986 -34.218 1.00 14.35 ? 168 PRO B N   1 
ATOM   1381 C CA  . PRO A 1 162 ? -21.355 -19.696 -33.777 1.00 13.47 ? 168 PRO B CA  1 
ATOM   1382 C C   . PRO A 1 162 ? -22.318 -19.133 -32.723 1.00 13.94 ? 168 PRO B C   1 
ATOM   1383 O O   . PRO A 1 162 ? -23.529 -19.375 -32.785 1.00 14.44 ? 168 PRO B O   1 
ATOM   1384 C CB  . PRO A 1 162 ? -21.346 -18.804 -35.025 1.00 14.05 ? 168 PRO B CB  1 
ATOM   1385 C CG  . PRO A 1 162 ? -21.481 -19.813 -36.203 1.00 13.95 ? 168 PRO B CG  1 
ATOM   1386 C CD  . PRO A 1 162 ? -22.231 -20.966 -35.636 1.00 14.37 ? 168 PRO B CD  1 
ATOM   1387 N N   . LEU A 1 163 ? -21.733 -18.392 -31.802 1.00 13.36 ? 169 LEU B N   1 
ATOM   1388 C CA  . LEU A 1 163 ? -22.507 -17.737 -30.698 1.00 12.91 ? 169 LEU B CA  1 
ATOM   1389 C C   . LEU A 1 163 ? -22.620 -16.243 -30.947 1.00 14.16 ? 169 LEU B C   1 
ATOM   1390 O O   . LEU A 1 163 ? -21.677 -15.597 -31.422 1.00 14.70 ? 169 LEU B O   1 
ATOM   1391 C CB  . LEU A 1 163 ? -21.808 -17.968 -29.359 1.00 13.64 ? 169 LEU B CB  1 
ATOM   1392 C CG  . LEU A 1 163 ? -21.860 -19.389 -28.790 1.00 14.32 ? 169 LEU B CG  1 
ATOM   1393 C CD1 . LEU A 1 163 ? -21.013 -19.466 -27.537 1.00 14.72 ? 169 LEU B CD1 1 
ATOM   1394 C CD2 . LEU A 1 163 ? -23.288 -19.877 -28.547 1.00 15.53 ? 169 LEU B CD2 1 
ATOM   1395 N N   . ARG A 1 164 ? -23.774 -15.685 -30.545 1.00 12.97 ? 170 ARG B N   1 
ATOM   1396 C CA  . ARG A 1 164 ? -23.982 -14.221 -30.530 1.00 12.64 ? 170 ARG B CA  1 
ATOM   1397 C C   . ARG A 1 164 ? -24.406 -13.731 -29.147 1.00 11.47 ? 170 ARG B C   1 
ATOM   1398 O O   . ARG A 1 164 ? -25.151 -14.426 -28.434 1.00 11.98 ? 170 ARG B O   1 
ATOM   1399 C CB  . ARG A 1 164 ? -25.051 -13.845 -31.557 1.00 13.60 ? 170 ARG B CB  1 
ATOM   1400 C CG  . ARG A 1 164 ? -24.539 -14.213 -32.959 1.00 16.37 ? 170 ARG B CG  1 
ATOM   1401 C CD  . ARG A 1 164 ? -25.484 -13.857 -34.051 1.00 18.68 ? 170 ARG B CD  1 
ATOM   1402 N NE  . ARG A 1 164 ? -25.512 -12.416 -34.190 1.00 18.23 ? 170 ARG B NE  1 
ATOM   1403 C CZ  . ARG A 1 164 ? -26.210 -11.791 -35.127 1.00 18.53 ? 170 ARG B CZ  1 
ATOM   1404 N NH1 . ARG A 1 164 ? -26.850 -12.474 -36.043 1.00 19.05 ? 170 ARG B NH1 1 
ATOM   1405 N NH2 . ARG A 1 164 ? -26.243 -10.475 -35.108 1.00 17.16 ? 170 ARG B NH2 1 
ATOM   1406 N N   . PRO A 1 165 ? -23.928 -12.548 -28.689 1.00 11.52 ? 171 PRO B N   1 
ATOM   1407 C CA  . PRO A 1 165 ? -24.468 -11.956 -27.466 1.00 11.09 ? 171 PRO B CA  1 
ATOM   1408 C C   . PRO A 1 165 ? -25.977 -11.789 -27.627 1.00 10.81 ? 171 PRO B C   1 
ATOM   1409 O O   . PRO A 1 165 ? -26.494 -11.438 -28.685 1.00 11.94 ? 171 PRO B O   1 
ATOM   1410 C CB  . PRO A 1 165 ? -23.784 -10.599 -27.380 1.00 11.64 ? 171 PRO B CB  1 
ATOM   1411 C CG  . PRO A 1 165 ? -22.490 -10.785 -28.196 1.00 12.14 ? 171 PRO B CG  1 
ATOM   1412 C CD  . PRO A 1 165 ? -22.950 -11.663 -29.345 1.00 13.08 ? 171 PRO B CD  1 
ATOM   1413 N N   . PHE A 1 166 ? -26.727 -12.050 -26.539 1.00 10.36 ? 172 PHE B N   1 
ATOM   1414 C CA  . PHE A 1 166 ? -28.206 -12.089 -26.531 1.00 10.73 ? 172 PHE B CA  1 
ATOM   1415 C C   . PHE A 1 166 ? -28.734 -11.146 -25.442 1.00 10.72 ? 172 PHE B C   1 
ATOM   1416 O O   . PHE A 1 166 ? -28.231 -11.138 -24.312 1.00 10.59 ? 172 PHE B O   1 
ATOM   1417 C CB  . PHE A 1 166 ? -28.684 -13.514 -26.283 1.00 11.26 ? 172 PHE B CB  1 
ATOM   1418 C CG  . PHE A 1 166 ? -30.184 -13.604 -26.100 1.00 11.66 ? 172 PHE B CG  1 
ATOM   1419 C CD1 . PHE A 1 166 ? -31.038 -13.590 -27.190 1.00 12.15 ? 172 PHE B CD1 1 
ATOM   1420 C CD2 . PHE A 1 166 ? -30.766 -13.628 -24.838 1.00 12.23 ? 172 PHE B CD2 1 
ATOM   1421 C CE1 . PHE A 1 166 ? -32.416 -13.642 -27.004 1.00 12.50 ? 172 PHE B CE1 1 
ATOM   1422 C CE2 . PHE A 1 166 ? -32.134 -13.665 -24.667 1.00 11.86 ? 172 PHE B CE2 1 
ATOM   1423 C CZ  . PHE A 1 166 ? -32.966 -13.696 -25.753 1.00 12.30 ? 172 PHE B CZ  1 
ATOM   1424 N N   . PHE A 1 167 ? -29.799 -10.391 -25.783 1.00 10.83 ? 173 PHE B N   1 
ATOM   1425 C CA  . PHE A 1 167 ? -30.382 -9.375  -24.880 1.00 10.12 ? 173 PHE B CA  1 
ATOM   1426 C C   . PHE A 1 167 ? -31.899 -9.447  -24.982 1.00 10.64 ? 173 PHE B C   1 
ATOM   1427 O O   . PHE A 1 167 ? -32.432 -9.488  -26.119 1.00 11.77 ? 173 PHE B O   1 
ATOM   1428 C CB  . PHE A 1 167 ? -29.956 -7.955  -25.280 1.00 11.11 ? 173 PHE B CB  1 
ATOM   1429 C CG  . PHE A 1 167 ? -28.451 -7.793  -25.381 1.00 11.21 ? 173 PHE B CG  1 
ATOM   1430 C CD1 . PHE A 1 167 ? -27.776 -8.119  -26.557 1.00 11.29 ? 173 PHE B CD1 1 
ATOM   1431 C CD2 . PHE A 1 167 ? -27.667 -7.360  -24.311 1.00 12.58 ? 173 PHE B CD2 1 
ATOM   1432 C CE1 . PHE A 1 167 ? -26.382 -8.066  -26.659 1.00 11.04 ? 173 PHE B CE1 1 
ATOM   1433 C CE2 . PHE A 1 167 ? -26.291 -7.235  -24.442 1.00 12.75 ? 173 PHE B CE2 1 
ATOM   1434 C CZ  . PHE A 1 167 ? -25.648 -7.567  -25.630 1.00 12.78 ? 173 PHE B CZ  1 
ATOM   1435 N N   . ASN A 1 168 ? -32.599 -9.248  -23.871 1.00 10.88 ? 174 ASN B N   1 
ATOM   1436 C CA  . ASN A 1 168 ? -34.058 -9.004  -23.846 1.00 10.50 ? 174 ASN B CA  1 
ATOM   1437 C C   . ASN A 1 168 ? -34.281 -7.871  -22.831 1.00 11.37 ? 174 ASN B C   1 
ATOM   1438 O O   . ASN A 1 168 ? -33.953 -8.025  -21.642 1.00 12.51 ? 174 ASN B O   1 
ATOM   1439 C CB  . ASN A 1 168 ? -34.839 -10.256 -23.426 1.00 11.76 ? 174 ASN B CB  1 
ATOM   1440 C CG  . ASN A 1 168 ? -36.343 -10.061 -23.521 1.00 13.57 ? 174 ASN B CG  1 
ATOM   1441 O OD1 . ASN A 1 168 ? -36.831 -8.986  -23.836 1.00 13.62 ? 174 ASN B OD1 1 
ATOM   1442 N ND2 . ASN A 1 168 ? -37.068 -11.134 -23.280 1.00 15.15 ? 174 ASN B ND2 1 
ATOM   1443 N N   . VAL A 1 169 ? -34.785 -6.720  -23.308 1.00 11.38 ? 175 VAL B N   1 
ATOM   1444 C CA  . VAL A 1 169 ? -35.046 -5.565  -22.409 1.00 10.88 ? 175 VAL B CA  1 
ATOM   1445 C C   . VAL A 1 169 ? -36.305 -5.806  -21.579 1.00 12.00 ? 175 VAL B C   1 
ATOM   1446 O O   . VAL A 1 169 ? -36.554 -4.976  -20.676 1.00 12.36 ? 175 VAL B O   1 
ATOM   1447 C CB  . VAL A 1 169 ? -35.143 -4.210  -23.155 1.00 12.31 ? 175 VAL B CB  1 
ATOM   1448 C CG1 . VAL A 1 169 ? -33.843 -3.881  -23.822 1.00 13.82 ? 175 VAL B CG1 1 
ATOM   1449 C CG2 . VAL A 1 169 ? -36.278 -4.175  -24.165 1.00 12.91 ? 175 VAL B CG2 1 
ATOM   1450 N N   . GLY A 1 170 ? -37.117 -6.805  -21.959 1.00 12.07 ? 176 GLY B N   1 
ATOM   1451 C CA  . GLY A 1 170 ? -38.407 -7.054  -21.262 1.00 12.95 ? 176 GLY B CA  1 
ATOM   1452 C C   . GLY A 1 170 ? -39.503 -6.105  -21.677 1.00 13.83 ? 176 GLY B C   1 
ATOM   1453 O O   . GLY A 1 170 ? -39.266 -5.055  -22.284 1.00 12.35 ? 176 GLY B O   1 
ATOM   1454 N N   . PHE A 1 171 ? -40.726 -6.550  -21.441 1.00 13.98 ? 177 PHE B N   1 
ATOM   1455 C CA  . PHE A 1 171 ? -41.933 -5.714  -21.625 1.00 13.23 ? 177 PHE B CA  1 
ATOM   1456 C C   . PHE A 1 171 ? -41.985 -4.641  -20.561 1.00 12.69 ? 177 PHE B C   1 
ATOM   1457 O O   . PHE A 1 171 ? -41.261 -4.686  -19.577 1.00 12.45 ? 177 PHE B O   1 
ATOM   1458 C CB  . PHE A 1 171 ? -43.211 -6.562  -21.688 1.00 14.23 ? 177 PHE B CB  1 
ATOM   1459 C CG  . PHE A 1 171 ? -43.311 -7.465  -22.889 1.00 14.51 ? 177 PHE B CG  1 
ATOM   1460 C CD1 . PHE A 1 171 ? -43.710 -6.952  -24.114 1.00 16.70 ? 177 PHE B CD1 1 
ATOM   1461 C CD2 . PHE A 1 171 ? -43.070 -8.824  -22.789 1.00 15.56 ? 177 PHE B CD2 1 
ATOM   1462 C CE1 . PHE A 1 171 ? -43.776 -7.785  -25.233 1.00 17.69 ? 177 PHE B CE1 1 
ATOM   1463 C CE2 . PHE A 1 171 ? -43.163 -9.638  -23.916 1.00 17.26 ? 177 PHE B CE2 1 
ATOM   1464 C CZ  . PHE A 1 171 ? -43.581 -9.124  -25.094 1.00 17.43 ? 177 PHE B CZ  1 
ATOM   1465 N N   . ASN A 1 172 ? -42.834 -3.669  -20.810 1.00 13.08 ? 178 ASN B N   1 
ATOM   1466 C CA  . ASN A 1 172 ? -43.036 -2.569  -19.835 1.00 11.53 ? 178 ASN B CA  1 
ATOM   1467 C C   . ASN A 1 172 ? -44.554 -2.405  -19.643 1.00 12.73 ? 178 ASN B C   1 
ATOM   1468 O O   . ASN A 1 172 ? -45.064 -1.261  -19.699 1.00 15.25 ? 178 ASN B O   1 
ATOM   1469 C CB  . ASN A 1 172 ? -42.364 -1.288  -20.290 1.00 12.43 ? 178 ASN B CB  1 
ATOM   1470 C CG  . ASN A 1 172 ? -42.423 -0.203  -19.239 1.00 13.46 ? 178 ASN B CG  1 
ATOM   1471 O OD1 . ASN A 1 172 ? -42.446 -0.440  -18.041 1.00 13.84 ? 178 ASN B OD1 1 
ATOM   1472 N ND2 . ASN A 1 172 ? -42.369 1.034   -19.723 1.00 15.52 ? 178 ASN B ND2 1 
ATOM   1473 N N   . TYR A 1 173 ? -45.234 -3.462  -19.242 1.00 13.42 ? 179 TYR B N   1 
ATOM   1474 C CA  . TYR A 1 173 ? -46.669 -3.399  -18.850 1.00 12.53 ? 179 TYR B CA  1 
ATOM   1475 C C   . TYR A 1 173 ? -46.827 -2.571  -17.593 1.00 13.76 ? 179 TYR B C   1 
ATOM   1476 O O   . TYR A 1 173 ? -47.909 -1.947  -17.374 1.00 15.18 ? 179 TYR B O   1 
ATOM   1477 C CB  . TYR A 1 173 ? -47.229 -4.807  -18.628 1.00 13.30 ? 179 TYR B CB  1 
ATOM   1478 C CG  . TYR A 1 173 ? -47.326 -5.661  -19.870 1.00 15.75 ? 179 TYR B CG  1 
ATOM   1479 C CD1 . TYR A 1 173 ? -48.293 -5.398  -20.829 1.00 19.30 ? 179 TYR B CD1 1 
ATOM   1480 C CD2 . TYR A 1 173 ? -46.473 -6.730  -20.082 1.00 18.63 ? 179 TYR B CD2 1 
ATOM   1481 C CE1 . TYR A 1 173 ? -48.374 -6.124  -22.009 1.00 21.15 ? 179 TYR B CE1 1 
ATOM   1482 C CE2 . TYR A 1 173 ? -46.544 -7.468  -21.270 1.00 18.36 ? 179 TYR B CE2 1 
ATOM   1483 C CZ  . TYR A 1 173 ? -47.495 -7.164  -22.215 1.00 20.74 ? 179 TYR B CZ  1 
ATOM   1484 O OH  . TYR A 1 173 ? -47.621 -7.927  -23.364 1.00 25.43 ? 179 TYR B OH  1 
ATOM   1485 N N   . SER A 1 174 ? -45.871 -2.606  -16.682 1.00 13.17 ? 180 SER B N   1 
ATOM   1486 C CA  . SER A 1 174 ? -45.956 -2.012  -15.321 1.00 13.95 ? 180 SER B CA  1 
ATOM   1487 C C   . SER A 1 174 ? -45.673 -0.504  -15.355 1.00 13.97 ? 180 SER B C   1 
ATOM   1488 O O   . SER A 1 174 ? -45.982 0.176   -14.329 1.00 15.85 ? 180 SER B O   1 
ATOM   1489 C CB  . SER A 1 174 ? -44.996 -2.630  -14.340 1.00 14.43 ? 180 SER B CB  1 
ATOM   1490 O OG  . SER A 1 174 ? -43.656 -2.364  -14.781 1.00 14.78 ? 180 SER B OG  1 
ATOM   1491 N N   . GLY A 1 175 ? -45.013 0.015   -16.386 1.00 13.64 ? 181 GLY B N   1 
ATOM   1492 C CA  . GLY A 1 175 ? -44.505 1.396   -16.321 1.00 13.46 ? 181 GLY B CA  1 
ATOM   1493 C C   . GLY A 1 175 ? -43.241 1.524   -15.501 1.00 14.32 ? 181 GLY B C   1 
ATOM   1494 O O   . GLY A 1 175 ? -42.755 2.640   -15.381 1.00 16.77 ? 181 GLY B O   1 
ATOM   1495 N N   . GLY A 1 176 ? -42.710 0.433   -14.933 1.00 13.78 ? 182 GLY B N   1 
ATOM   1496 C CA  . GLY A 1 176 ? -41.495 0.438   -14.105 1.00 13.63 ? 182 GLY B CA  1 
ATOM   1497 C C   . GLY A 1 176 ? -40.277 -0.171  -14.813 1.00 14.14 ? 182 GLY B C   1 
ATOM   1498 O O   . GLY A 1 176 ? -39.222 -0.234  -14.130 1.00 15.56 ? 182 GLY B O   1 
ATOM   1499 N N   . ASN A 1 177 ? -40.408 -0.608  -16.054 1.00 12.30 ? 183 ASN B N   1 
ATOM   1500 C CA  . ASN A 1 177 ? -39.316 -1.291  -16.761 1.00 11.72 ? 183 ASN B CA  1 
ATOM   1501 C C   . ASN A 1 177 ? -38.875 -0.579  -18.047 1.00 12.45 ? 183 ASN B C   1 
ATOM   1502 O O   . ASN A 1 177 ? -38.317 -1.242  -18.929 1.00 13.00 ? 183 ASN B O   1 
ATOM   1503 C CB  . ASN A 1 177 ? -39.685 -2.730  -17.086 1.00 12.11 ? 183 ASN B CB  1 
ATOM   1504 C CG  . ASN A 1 177 ? -38.470 -3.590  -17.376 1.00 11.99 ? 183 ASN B CG  1 
ATOM   1505 O OD1 . ASN A 1 177 ? -37.445 -3.421  -16.734 1.00 12.64 ? 183 ASN B OD1 1 
ATOM   1506 N ND2 . ASN A 1 177 ? -38.639 -4.516  -18.300 1.00 12.01 ? 183 ASN B ND2 1 
ATOM   1507 N N   . ALA A 1 178 ? -38.963 0.734   -18.130 1.00 12.89 ? 184 ALA B N   1 
ATOM   1508 C CA  . ALA A 1 178 ? -38.574 1.470   -19.353 1.00 13.91 ? 184 ALA B CA  1 
ATOM   1509 C C   . ALA A 1 178 ? -37.067 1.595   -19.522 1.00 13.44 ? 184 ALA B C   1 
ATOM   1510 O O   . ALA A 1 178 ? -36.613 1.881   -20.655 1.00 15.53 ? 184 ALA B O   1 
ATOM   1511 C CB  . ALA A 1 178 ? -39.180 2.886   -19.335 1.00 14.34 ? 184 ALA B CB  1 
ATOM   1512 N N   . ALA A 1 179 ? -36.305 1.447   -18.452 1.00 13.48 ? 185 ALA B N   1 
ATOM   1513 C CA  . ALA A 1 179 ? -34.853 1.750   -18.514 1.00 13.53 ? 185 ALA B CA  1 
ATOM   1514 C C   . ALA A 1 179 ? -34.138 0.855   -19.524 1.00 13.14 ? 185 ALA B C   1 
ATOM   1515 O O   . ALA A 1 179 ? -34.523 -0.298  -19.761 1.00 13.01 ? 185 ALA B O   1 
ATOM   1516 C CB  . ALA A 1 179 ? -34.194 1.593   -17.158 1.00 13.17 ? 185 ALA B CB  1 
ATOM   1517 N N   . PRO A 1 180 ? -33.035 1.357   -20.118 1.00 12.94 ? 186 PRO B N   1 
ATOM   1518 C CA  . PRO A 1 180 ? -32.295 0.589   -21.115 1.00 12.91 ? 186 PRO B CA  1 
ATOM   1519 C C   . PRO A 1 180 ? -31.390 -0.516  -20.514 1.00 12.19 ? 186 PRO B C   1 
ATOM   1520 O O   . PRO A 1 180 ? -31.046 -0.462  -19.329 1.00 13.37 ? 186 PRO B O   1 
ATOM   1521 C CB  . PRO A 1 180 ? -31.411 1.678   -21.776 1.00 14.52 ? 186 PRO B CB  1 
ATOM   1522 C CG  . PRO A 1 180 ? -31.163 2.670   -20.694 1.00 15.76 ? 186 PRO B CG  1 
ATOM   1523 C CD  . PRO A 1 180 ? -32.487 2.717   -19.921 1.00 15.75 ? 186 PRO B CD  1 
ATOM   1524 N N   . LEU A 1 181 ? -31.005 -1.453  -21.380 1.00 12.63 ? 187 LEU B N   1 
ATOM   1525 C CA  . LEU A 1 181 ? -29.756 -2.230  -21.211 1.00 12.54 ? 187 LEU B CA  1 
ATOM   1526 C C   . LEU A 1 181 ? -28.630 -1.427  -21.871 1.00 12.17 ? 187 LEU B C   1 
ATOM   1527 O O   . LEU A 1 181 ? -28.819 -0.917  -23.004 1.00 15.06 ? 187 LEU B O   1 
ATOM   1528 C CB  . LEU A 1 181 ? -29.917 -3.590  -21.862 1.00 12.10 ? 187 LEU B CB  1 
ATOM   1529 C CG  . LEU A 1 181 ? -30.944 -4.542  -21.219 1.00 13.37 ? 187 LEU B CG  1 
ATOM   1530 C CD1 . LEU A 1 181 ? -31.101 -5.812  -22.050 1.00 14.55 ? 187 LEU B CD1 1 
ATOM   1531 C CD2 . LEU A 1 181 ? -30.571 -4.930  -19.789 1.00 15.88 ? 187 LEU B CD2 1 
ATOM   1532 N N   . LYS A 1 182 ? -27.489 -1.338  -21.180 1.00 13.46 ? 188 LYS B N   1 
ATOM   1533 C CA  . LYS A 1 182 ? -26.327 -0.590  -21.739 1.00 13.94 ? 188 LYS B CA  1 
ATOM   1534 C C   . LYS A 1 182 ? -25.095 -1.469  -21.707 1.00 14.23 ? 188 LYS B C   1 
ATOM   1535 O O   . LYS A 1 182 ? -24.755 -2.009  -20.594 1.00 15.04 ? 188 LYS B O   1 
ATOM   1536 C CB  . LYS A 1 182 ? -26.072 0.700   -20.951 1.00 16.09 ? 188 LYS B CB  1 
ATOM   1537 C CG  . LYS A 1 182 ? -27.245 1.636   -20.707 1.00 19.39 ? 188 LYS B CG  1 
ATOM   1538 C CD  . LYS A 1 182 ? -26.794 2.988   -20.145 1.00 23.88 ? 188 LYS B CD  1 
ATOM   1539 C CE  . LYS A 1 182 ? -27.927 3.857   -19.652 1.00 28.20 ? 188 LYS B CE  1 
ATOM   1540 N NZ  . LYS A 1 182 ? -27.389 5.080   -19.009 1.00 33.95 ? 188 LYS B NZ  1 
ATOM   1541 N N   . LEU A 1 183 ? -24.369 -1.529  -22.803 1.00 14.67 ? 189 LEU B N   1 
ATOM   1542 C CA  . LEU A 1 183 ? -23.037 -2.185  -22.797 1.00 15.63 ? 189 LEU B CA  1 
ATOM   1543 C C   . LEU A 1 183 ? -22.042 -1.237  -22.142 1.00 16.61 ? 189 LEU B C   1 
ATOM   1544 O O   . LEU A 1 183 ? -21.873 -0.114  -22.671 1.00 20.57 ? 189 LEU B O   1 
ATOM   1545 C CB  . LEU A 1 183 ? -22.665 -2.601  -24.220 1.00 16.09 ? 189 LEU B CB  1 
ATOM   1546 C CG  . LEU A 1 183 ? -23.426 -3.839  -24.688 1.00 16.80 ? 189 LEU B CG  1 
ATOM   1547 C CD1 . LEU A 1 183 ? -23.617 -3.963  -26.203 1.00 20.94 ? 189 LEU B CD1 1 
ATOM   1548 C CD2 . LEU A 1 183 ? -22.790 -5.105  -24.095 1.00 15.80 ? 189 LEU B CD2 1 
ATOM   1549 N N   . CYS A 1 184 ? -21.355 -1.703  -21.109 1.00 18.40 ? 190 CYS B N   1 
ATOM   1550 C CA  . CYS A 1 184 ? -20.464 -0.857  -20.251 1.00 21.26 ? 190 CYS B CA  1 
ATOM   1551 C C   . CYS A 1 184 ? -19.103 -0.780  -20.905 1.00 23.17 ? 190 CYS B C   1 
ATOM   1552 O O   . CYS A 1 184 ? -18.625 -1.742  -21.482 1.00 23.37 ? 190 CYS B O   1 
ATOM   1553 C CB  . CYS A 1 184 ? -20.162 -1.489  -18.914 1.00 23.48 ? 190 CYS B CB  1 
ATOM   1554 S SG  . CYS A 1 184 ? -21.608 -1.964  -17.970 1.00 25.11 ? 190 CYS B SG  1 
ATOM   1555 N N   . PRO A 1 185 ? -18.395 0.361   -20.765 1.00 28.57 ? 191 PRO B N   1 
ATOM   1556 C CA  . PRO A 1 185 ? -17.074 0.510   -21.348 1.00 33.67 ? 191 PRO B CA  1 
ATOM   1557 C C   . PRO A 1 185 ? -16.061 -0.404  -20.654 1.00 33.31 ? 191 PRO B C   1 
ATOM   1558 O O   . PRO A 1 185 ? -16.205 -0.680  -19.459 1.00 35.17 ? 191 PRO B O   1 
ATOM   1559 C CB  . PRO A 1 185 ? -16.789 2.016   -21.175 1.00 33.70 ? 191 PRO B CB  1 
ATOM   1560 C CG  . PRO A 1 185 ? -17.616 2.413   -19.994 1.00 33.88 ? 191 PRO B CG  1 
ATOM   1561 C CD  . PRO A 1 185 ? -18.881 1.590   -20.114 1.00 30.66 ? 191 PRO B CD  1 
ATOM   1562 N N   . LEU A 1 186 ? -15.099 -0.849  -21.462 1.00 40.88 ? 192 LEU B N   1 
ATOM   1563 C CA  . LEU A 1 186 ? -13.838 -1.556  -21.118 1.00 43.90 ? 192 LEU B CA  1 
ATOM   1564 C C   . LEU A 1 186 ? -12.962 -0.655  -20.249 1.00 48.83 ? 192 LEU B C   1 
ATOM   1565 O O   . LEU A 1 186 ? -12.303 -1.190  -19.353 1.00 57.91 ? 192 LEU B O   1 
ATOM   1566 C CB  . LEU A 1 186 ? -13.121 -1.880  -22.432 1.00 42.57 ? 192 LEU B CB  1 
HETATM 1567 C C1  . EDO B 2 .   ? -45.598 -3.498  -22.983 1.00 27.65 ? 201 EDO B C1  1 
HETATM 1568 O O1  . EDO B 2 .   ? -44.240 -3.162  -23.180 1.00 21.38 ? 201 EDO B O1  1 
HETATM 1569 C C2  . EDO B 2 .   ? -46.411 -3.902  -24.164 1.00 36.45 ? 201 EDO B C2  1 
HETATM 1570 O O2  . EDO B 2 .   ? -46.062 -3.200  -25.341 1.00 44.51 ? 201 EDO B O2  1 
HETATM 1571 C C01 . JFP C 3 .   ? -25.607 -26.440 -20.235 0.49 25.47 ? 202 JFP B C01 1 
HETATM 1572 C C02 . JFP C 3 .   ? -25.483 -27.807 -20.819 0.49 26.34 ? 202 JFP B C02 1 
HETATM 1573 C C03 . JFP C 3 .   ? -26.094 -27.917 -22.201 0.49 26.42 ? 202 JFP B C03 1 
HETATM 1574 O O04 . JFP C 3 .   ? -25.693 -27.250 -23.155 0.49 23.95 ? 202 JFP B O04 1 
HETATM 1575 N N05 . JFP C 3 .   ? -27.104 -28.832 -22.321 0.49 27.29 ? 202 JFP B N05 1 
HETATM 1576 C C06 . JFP C 3 .   ? -27.852 -29.054 -23.467 0.49 27.39 ? 202 JFP B C06 1 
HETATM 1577 N N07 . JFP C 3 .   ? -28.953 -29.758 -23.449 0.49 28.53 ? 202 JFP B N07 1 
HETATM 1578 C C08 . JFP C 3 .   ? -29.295 -30.121 -24.749 0.49 28.73 ? 202 JFP B C08 1 
HETATM 1579 C C09 . JFP C 3 .   ? -28.707 -29.375 -25.693 0.49 26.20 ? 202 JFP B C09 1 
HETATM 1580 S S10 . JFP C 3 .   ? -27.425 -28.435 -25.026 0.49 23.60 ? 202 JFP B S10 1 
HETATM 1581 C C11 . JFP C 3 .   ? -30.215 -31.280 -24.974 0.49 30.16 ? 202 JFP B C11 1 
HETATM 1582 C C1  . EDO D 2 .   ? -50.568 -16.918 -33.151 1.00 42.44 ? 203 EDO B C1  1 
HETATM 1583 O O1  . EDO D 2 .   ? -49.226 -16.484 -33.103 1.00 36.58 ? 203 EDO B O1  1 
HETATM 1584 C C2  . EDO D 2 .   ? -51.121 -17.175 -31.816 1.00 43.82 ? 203 EDO B C2  1 
HETATM 1585 O O2  . EDO D 2 .   ? -51.230 -15.997 -31.070 1.00 50.74 ? 203 EDO B O2  1 
HETATM 1586 S S   . SO4 E 4 .   ? -40.425 -24.589 -26.268 1.00 42.14 ? 204 SO4 B S   1 
HETATM 1587 O O1  . SO4 E 4 .   ? -39.742 -23.632 -27.083 1.00 26.29 ? 204 SO4 B O1  1 
HETATM 1588 O O2  . SO4 E 4 .   ? -41.290 -25.395 -27.079 1.00 47.22 ? 204 SO4 B O2  1 
HETATM 1589 O O3  . SO4 E 4 .   ? -39.446 -25.440 -25.619 1.00 47.78 ? 204 SO4 B O3  1 
HETATM 1590 O O4  . SO4 E 4 .   ? -41.204 -23.927 -25.246 1.00 44.73 ? 204 SO4 B O4  1 
HETATM 1591 O O   . HOH F 5 .   ? -26.852 -28.447 -27.967 1.00 27.25 ? 301 HOH B O   1 
HETATM 1592 O O   . HOH F 5 .   ? -29.531 -12.422 -37.734 1.00 24.56 ? 302 HOH B O   1 
HETATM 1593 O O   . HOH F 5 .   ? -45.656 3.695   -34.073 1.00 21.07 ? 303 HOH B O   1 
HETATM 1594 O O   . HOH F 5 .   ? -18.669 -21.953 -35.706 1.00 18.98 ? 304 HOH B O   1 
HETATM 1595 O O   . HOH F 5 .   ? -38.519 0.669   -11.906 1.00 36.81 ? 305 HOH B O   1 
HETATM 1596 O O   . HOH F 5 .   ? -47.023 -16.667 -31.912 1.00 26.94 ? 306 HOH B O   1 
HETATM 1597 O O   . HOH F 5 .   ? -44.997 7.420   -24.576 1.00 38.56 ? 307 HOH B O   1 
HETATM 1598 O O   . HOH F 5 .   ? -22.705 -1.807  -9.772  1.00 28.21 ? 308 HOH B O   1 
HETATM 1599 O O   . HOH F 5 .   ? -13.473 -23.522 -31.547 1.00 16.85 ? 309 HOH B O   1 
HETATM 1600 O O   . HOH F 5 .   ? -40.074 -1.095  -9.748  1.00 30.20 ? 310 HOH B O   1 
HETATM 1601 O O   . HOH F 5 .   ? -32.942 1.126   -33.487 1.00 21.16 ? 311 HOH B O   1 
HETATM 1602 O O   . HOH F 5 .   ? -15.560 -5.424  -13.652 1.00 32.25 ? 312 HOH B O   1 
HETATM 1603 O O   . HOH F 5 .   ? -38.035 2.790   -22.711 1.00 20.90 ? 313 HOH B O   1 
HETATM 1604 O O   . HOH F 5 .   ? -36.252 5.474   -15.779 1.00 26.55 ? 314 HOH B O   1 
HETATM 1605 O O   . HOH F 5 .   ? -45.457 0.103   -11.785 1.00 20.55 ? 315 HOH B O   1 
HETATM 1606 O O   . HOH F 5 .   ? -26.169 3.460   -35.241 1.00 33.46 ? 316 HOH B O   1 
HETATM 1607 O O   . HOH F 5 .   ? -38.570 -15.315 -11.773 1.00 34.55 ? 317 HOH B O   1 
HETATM 1608 O O   . HOH F 5 .   ? -35.723 -19.150 -30.466 1.00 39.70 ? 318 HOH B O   1 
HETATM 1609 O O   . HOH F 5 .   ? -35.908 -22.461 -19.498 1.00 27.00 ? 319 HOH B O   1 
HETATM 1610 O O   . HOH F 5 .   ? -19.425 -29.760 -15.568 1.00 29.70 ? 320 HOH B O   1 
HETATM 1611 O O   . HOH F 5 .   ? -35.485 -17.154 -8.119  1.00 43.93 ? 321 HOH B O   1 
HETATM 1612 O O   . HOH F 5 .   ? -9.499  -18.614 -30.186 1.00 47.78 ? 322 HOH B O   1 
HETATM 1613 O O   . HOH F 5 .   ? -36.650 -23.016 -30.711 1.00 32.19 ? 323 HOH B O   1 
HETATM 1614 O O   . HOH F 5 .   ? -12.702 -21.264 -18.670 1.00 29.17 ? 324 HOH B O   1 
HETATM 1615 O O   . HOH F 5 .   ? -33.772 5.049   -17.066 1.00 43.23 ? 325 HOH B O   1 
HETATM 1616 O O   . HOH F 5 .   ? -24.504 -31.030 -21.971 1.00 34.84 ? 326 HOH B O   1 
HETATM 1617 O O   . HOH F 5 .   ? -47.187 1.272   -25.567 1.00 34.78 ? 327 HOH B O   1 
HETATM 1618 O O   . HOH F 5 .   ? -37.249 -25.510 -11.357 1.00 38.79 ? 328 HOH B O   1 
HETATM 1619 O O   . HOH F 5 .   ? -49.688 -1.764  -19.350 1.00 27.79 ? 329 HOH B O   1 
HETATM 1620 O O   . HOH F 5 .   ? -25.959 -22.655 -35.761 1.00 30.02 ? 330 HOH B O   1 
HETATM 1621 O O   . HOH F 5 .   ? -26.498 1.961   -11.094 1.00 37.60 ? 331 HOH B O   1 
HETATM 1622 O O   . HOH F 5 .   ? -30.744 -6.663  -11.287 1.00 16.17 ? 332 HOH B O   1 
HETATM 1623 O O   . HOH F 5 .   ? -30.692 1.110   -16.978 1.00 30.12 ? 333 HOH B O   1 
HETATM 1624 O O   . HOH F 5 .   ? -17.577 -21.310 -12.389 1.00 19.20 ? 334 HOH B O   1 
HETATM 1625 O O   . HOH F 5 .   ? -13.557 -20.965 -35.203 1.00 33.31 ? 335 HOH B O   1 
HETATM 1626 O O   . HOH F 5 .   ? -42.969 -15.338 -10.085 1.00 25.27 ? 336 HOH B O   1 
HETATM 1627 O O   . HOH F 5 .   ? -16.156 -19.543 -15.615 1.00 26.18 ? 337 HOH B O   1 
HETATM 1628 O O   . HOH F 5 .   ? -38.357 3.730   -42.096 1.00 29.03 ? 338 HOH B O   1 
HETATM 1629 O O   . HOH F 5 .   ? -18.466 -4.615  -24.693 1.00 19.61 ? 339 HOH B O   1 
HETATM 1630 O O   . HOH F 5 .   ? -30.825 -20.333 -21.296 1.00 13.53 ? 340 HOH B O   1 
HETATM 1631 O O   . HOH F 5 .   ? -8.971  -13.521 -25.238 1.00 34.93 ? 341 HOH B O   1 
HETATM 1632 O O   . HOH F 5 .   ? -38.517 -7.609  -10.721 1.00 16.97 ? 342 HOH B O   1 
HETATM 1633 O O   . HOH F 5 .   ? -40.993 -9.276  -36.683 1.00 29.47 ? 343 HOH B O   1 
HETATM 1634 O O   . HOH F 5 .   ? -19.350 -4.302  -22.046 1.00 17.57 ? 344 HOH B O   1 
HETATM 1635 O O   . HOH F 5 .   ? -17.555 -27.638 -19.620 1.00 20.13 ? 345 HOH B O   1 
HETATM 1636 O O   . HOH F 5 .   ? -32.798 -18.264 -37.201 1.00 35.91 ? 346 HOH B O   1 
HETATM 1637 O O   . HOH F 5 .   ? -45.186 -12.289 -26.609 1.00 35.15 ? 347 HOH B O   1 
HETATM 1638 O O   . HOH F 5 .   ? -38.750 -2.469  -21.325 1.00 15.78 ? 348 HOH B O   1 
HETATM 1639 O O   . HOH F 5 .   ? -24.285 -4.139  -36.741 1.00 39.19 ? 349 HOH B O   1 
HETATM 1640 O O   . HOH F 5 .   ? -36.801 -26.033 -23.815 1.00 36.26 ? 350 HOH B O   1 
HETATM 1641 O O   . HOH F 5 .   ? -41.722 1.498   -22.516 1.00 31.84 ? 351 HOH B O   1 
HETATM 1642 O O   . HOH F 5 .   ? -23.211 4.393   -24.614 1.00 26.17 ? 352 HOH B O   1 
HETATM 1643 O O   . HOH F 5 .   ? -16.660 -5.569  -9.366  1.00 34.95 ? 353 HOH B O   1 
HETATM 1644 O O   . HOH F 5 .   ? -10.913 -21.157 -25.119 1.00 29.81 ? 354 HOH B O   1 
HETATM 1645 O O   . HOH F 5 .   ? -26.495 -25.671 -16.367 1.00 18.83 ? 355 HOH B O   1 
HETATM 1646 O O   . HOH F 5 .   ? -25.581 -14.246 -3.175  1.00 34.43 ? 356 HOH B O   1 
HETATM 1647 O O   . HOH F 5 .   ? -23.888 1.251   -10.799 1.00 37.58 ? 357 HOH B O   1 
HETATM 1648 O O   . HOH F 5 .   ? -30.217 -23.912 -33.969 1.00 24.34 ? 358 HOH B O   1 
HETATM 1649 O O   . HOH F 5 .   ? -41.442 -7.804  -3.433  1.00 45.71 ? 359 HOH B O   1 
HETATM 1650 O O   . HOH F 5 .   ? -34.099 -21.967 -31.340 1.00 19.34 ? 360 HOH B O   1 
HETATM 1651 O O   . HOH F 5 .   ? -17.866 -19.827 -37.489 1.00 27.20 ? 361 HOH B O   1 
HETATM 1652 O O   . HOH F 5 .   ? -40.714 -14.492 -8.443  1.00 29.47 ? 362 HOH B O   1 
HETATM 1653 O O   . HOH F 5 .   ? -26.700 -17.633 -7.738  1.00 17.29 ? 363 HOH B O   1 
HETATM 1654 O O   . HOH F 5 .   ? -45.686 -14.680 -27.591 1.00 34.81 ? 364 HOH B O   1 
HETATM 1655 O O   . HOH F 5 .   ? -36.230 -1.791  -33.795 1.00 21.31 ? 365 HOH B O   1 
HETATM 1656 O O   . HOH F 5 .   ? -19.346 -26.121 -31.806 1.00 19.86 ? 366 HOH B O   1 
HETATM 1657 O O   . HOH F 5 .   ? -20.910 -16.337 -5.490  1.00 19.27 ? 367 HOH B O   1 
HETATM 1658 O O   . HOH F 5 .   ? -15.052 -19.762 -37.468 1.00 27.83 ? 368 HOH B O   1 
HETATM 1659 O O   . HOH F 5 .   ? -10.293 -23.493 -21.834 1.00 30.27 ? 369 HOH B O   1 
HETATM 1660 O O   . HOH F 5 .   ? -37.968 -14.506 -21.340 1.00 35.84 ? 370 HOH B O   1 
HETATM 1661 O O   . HOH F 5 .   ? -40.280 -14.338 -31.368 1.00 15.89 ? 371 HOH B O   1 
HETATM 1662 O O   . HOH F 5 .   ? -27.145 -20.253 -6.949  1.00 18.37 ? 372 HOH B O   1 
HETATM 1663 O O   . HOH F 5 .   ? -42.535 -5.806  -12.271 1.00 21.59 ? 373 HOH B O   1 
HETATM 1664 O O   . HOH F 5 .   ? -43.847 -0.628  -24.327 1.00 30.15 ? 374 HOH B O   1 
HETATM 1665 O O   . HOH F 5 .   ? -19.760 1.724   -30.539 1.00 31.44 ? 375 HOH B O   1 
HETATM 1666 O O   . HOH F 5 .   ? -42.192 -3.923  -39.368 1.00 22.22 ? 376 HOH B O   1 
HETATM 1667 O O   . HOH F 5 .   ? -41.000 -5.953  -38.055 1.00 29.55 ? 377 HOH B O   1 
HETATM 1668 O O   . HOH F 5 .   ? -9.323  -20.741 -28.867 1.00 40.44 ? 378 HOH B O   1 
HETATM 1669 O O   . HOH F 5 .   ? -36.480 -0.978  -22.053 1.00 14.68 ? 379 HOH B O   1 
HETATM 1670 O O   . HOH F 5 .   ? -35.838 -3.605  -10.062 1.00 45.44 ? 380 HOH B O   1 
HETATM 1671 O O   . HOH F 5 .   ? -23.221 2.354   -23.021 1.00 29.71 ? 381 HOH B O   1 
HETATM 1672 O O   . HOH F 5 .   ? -35.487 -4.610  -42.125 1.00 24.73 ? 382 HOH B O   1 
HETATM 1673 O O   . HOH F 5 .   ? -23.964 -12.350 -6.561  1.00 19.48 ? 383 HOH B O   1 
HETATM 1674 O O   . HOH F 5 .   ? -32.280 -4.989  -12.894 1.00 14.84 ? 384 HOH B O   1 
HETATM 1675 O O   . HOH F 5 .   ? -36.974 0.824   -15.538 1.00 17.43 ? 385 HOH B O   1 
HETATM 1676 O O   . HOH F 5 .   ? -17.889 -4.308  -5.947  1.00 41.89 ? 386 HOH B O   1 
HETATM 1677 O O   . HOH F 5 .   ? -34.040 -21.828 -36.413 1.00 43.16 ? 387 HOH B O   1 
HETATM 1678 O O   . HOH F 5 .   ? -33.449 -1.865  -38.417 1.00 28.26 ? 388 HOH B O   1 
HETATM 1679 O O   . HOH F 5 .   ? -33.353 -14.877 -6.977  1.00 23.22 ? 389 HOH B O   1 
HETATM 1680 O O   . HOH F 5 .   ? -21.070 -5.828  -2.111  1.00 42.99 ? 390 HOH B O   1 
HETATM 1681 O O   . HOH F 5 .   ? -45.575 -19.735 -31.755 1.00 36.26 ? 391 HOH B O   1 
HETATM 1682 O O   . HOH F 5 .   ? -19.040 -29.075 -23.421 1.00 27.05 ? 392 HOH B O   1 
HETATM 1683 O O   . HOH F 5 .   ? -41.456 -8.512  -13.267 1.00 20.69 ? 393 HOH B O   1 
HETATM 1684 O O   . HOH F 5 .   ? -12.578 -18.514 -34.697 1.00 40.00 ? 394 HOH B O   1 
HETATM 1685 O O   . HOH F 5 .   ? -23.713 -20.991 -38.827 1.00 23.61 ? 395 HOH B O   1 
HETATM 1686 O O   . HOH F 5 .   ? -25.302 -10.479 -23.529 1.00 14.19 ? 396 HOH B O   1 
HETATM 1687 O O   . HOH F 5 .   ? -45.900 -4.308  -33.905 1.00 22.09 ? 397 HOH B O   1 
HETATM 1688 O O   . HOH F 5 .   ? -28.784 7.797   -30.097 1.00 31.52 ? 398 HOH B O   1 
HETATM 1689 O O   . HOH F 5 .   ? -36.472 -0.197  -42.165 1.00 34.69 ? 399 HOH B O   1 
HETATM 1690 O O   . HOH F 5 .   ? -39.912 2.722   -16.060 1.00 16.82 ? 400 HOH B O   1 
HETATM 1691 O O   . HOH F 5 .   ? -18.305 -17.303 -36.307 1.00 27.11 ? 401 HOH B O   1 
HETATM 1692 O O   . HOH F 5 .   ? -9.296  -16.022 -26.445 1.00 29.80 ? 402 HOH B O   1 
HETATM 1693 O O   . HOH F 5 .   ? -14.406 -16.510 -33.007 1.00 33.13 ? 403 HOH B O   1 
HETATM 1694 O O   . HOH F 5 .   ? -52.435 -14.166 -29.117 1.00 44.12 ? 404 HOH B O   1 
HETATM 1695 O O   . HOH F 5 .   ? -31.510 3.485   -26.794 1.00 26.17 ? 405 HOH B O   1 
HETATM 1696 O O   . HOH F 5 .   ? -24.846 -15.003 -6.813  1.00 18.20 ? 406 HOH B O   1 
HETATM 1697 O O   . HOH F 5 .   ? -40.773 6.354   -33.066 1.00 28.65 ? 407 HOH B O   1 
HETATM 1698 O O   . HOH F 5 .   ? -13.247 -6.278  -29.205 1.00 32.01 ? 408 HOH B O   1 
HETATM 1699 O O   . HOH F 5 .   ? -18.013 -16.006 -6.088  1.00 22.99 ? 409 HOH B O   1 
HETATM 1700 O O   . HOH F 5 .   ? -17.905 -11.149 -35.572 1.00 27.24 ? 410 HOH B O   1 
HETATM 1701 O O   . HOH F 5 .   ? -24.815 -11.085 -4.170  1.00 25.25 ? 411 HOH B O   1 
HETATM 1702 O O   . HOH F 5 .   ? -38.677 3.958   -13.624 1.00 35.40 ? 412 HOH B O   1 
HETATM 1703 O O   . HOH F 5 .   ? -39.999 -11.479 -22.743 1.00 32.51 ? 413 HOH B O   1 
HETATM 1704 O O   . HOH F 5 .   ? -15.843 -12.135 -5.761  1.00 48.40 ? 414 HOH B O   1 
HETATM 1705 O O   . HOH F 5 .   ? -42.391 -5.023  -43.689 1.00 23.13 ? 415 HOH B O   1 
HETATM 1706 O O   . HOH F 5 .   ? -31.012 4.070   -24.351 1.00 26.15 ? 416 HOH B O   1 
HETATM 1707 O O   . HOH F 5 .   ? -40.339 -7.462  -34.616 1.00 23.13 ? 417 HOH B O   1 
HETATM 1708 O O   . HOH F 5 .   ? -41.280 5.358   -28.439 1.00 30.91 ? 418 HOH B O   1 
HETATM 1709 O O   . HOH F 5 .   ? -43.314 3.773   -18.781 1.00 21.37 ? 419 HOH B O   1 
HETATM 1710 O O   . HOH F 5 .   ? -16.023 -14.725 -8.608  1.00 33.62 ? 420 HOH B O   1 
HETATM 1711 O O   . HOH F 5 .   ? -34.272 -7.169  -7.852  1.00 31.75 ? 421 HOH B O   1 
HETATM 1712 O O   . HOH F 5 .   ? -41.079 -8.799  -19.323 1.00 14.97 ? 422 HOH B O   1 
HETATM 1713 O O   . HOH F 5 .   ? -41.517 -9.779  -43.869 1.00 38.02 ? 423 HOH B O   1 
HETATM 1714 O O   . HOH F 5 .   ? -25.120 7.042   -28.883 1.00 31.06 ? 424 HOH B O   1 
HETATM 1715 O O   . HOH F 5 .   ? -19.856 2.313   -23.967 1.00 39.93 ? 425 HOH B O   1 
HETATM 1716 O O   . HOH F 5 .   ? -34.516 -8.920  -6.067  1.00 43.82 ? 426 HOH B O   1 
HETATM 1717 O O   . HOH F 5 .   ? -16.010 -7.346  -11.318 1.00 31.12 ? 427 HOH B O   1 
HETATM 1718 O O   . HOH F 5 .   ? -32.805 -23.564 -33.431 1.00 34.77 ? 428 HOH B O   1 
HETATM 1719 O O   . HOH F 5 .   ? -47.700 0.000   -32.763 0.50 25.70 ? 429 HOH B O   1 
HETATM 1720 O O   . HOH F 5 .   ? -30.810 -17.377 -42.648 1.00 35.19 ? 430 HOH B O   1 
HETATM 1721 O O   . HOH F 5 .   ? -36.652 -6.575  -8.977  1.00 33.68 ? 431 HOH B O   1 
HETATM 1722 O O   . HOH F 5 .   ? -8.399  -23.039 -30.192 1.00 30.85 ? 432 HOH B O   1 
HETATM 1723 O O   . HOH F 5 .   ? -21.622 6.915   -32.288 1.00 32.58 ? 433 HOH B O   1 
HETATM 1724 O O   . HOH F 5 .   ? -40.117 5.061   -22.084 1.00 32.53 ? 434 HOH B O   1 
HETATM 1725 O O   . HOH F 5 .   ? -22.833 3.376   -20.580 1.00 41.36 ? 435 HOH B O   1 
HETATM 1726 O O   . HOH F 5 .   ? -15.883 -22.235 -14.608 1.00 30.27 ? 436 HOH B O   1 
HETATM 1727 O O   . HOH F 5 .   ? -36.781 2.133   -43.434 1.00 40.63 ? 437 HOH B O   1 
HETATM 1728 O O   . HOH F 5 .   ? -28.313 -27.693 -16.880 1.00 24.24 ? 438 HOH B O   1 
HETATM 1729 O O   . HOH F 5 .   ? -16.049 -26.962 -17.088 1.00 38.52 ? 439 HOH B O   1 
HETATM 1730 O O   . HOH F 5 .   ? -42.115 -12.921 -22.489 1.00 32.24 ? 440 HOH B O   1 
# 
