data_7HMS
# 
_entry.id   7HMS 
# 
_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   7HMS         pdb_00007hms 10.2210/pdb7hms/pdb 
WWPDB D_1001407670 ?            ?                   
# 
_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                        7HMS 
_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 '2-[(methylsulfonyl)methyl]-1H-benzimidazole' 210.253   1   ?        ? ? ? 
3 non-polymer syn 1,2-ETHANEDIOL                                62.068    1   ?        ? ? ? 
4 non-polymer syn 'SULFATE ION'                                 96.063    1   ?        ? ? ? 
5 water       nat water                                         18.015    146 ?        ? ? ? 
# 
_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 '2-[(methylsulfonyl)methyl]-1H-benzimidazole' T6J 
3 1,2-ETHANEDIOL                                EDO 
4 'SULFATE ION'                                 SO4 
5 water                                         HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   HIS n 
1 3   HIS n 
1 4   HIS n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   MET n 
1 9   VAL n 
1 10  HIS n 
1 11  ILE n 
1 12  THR n 
1 13  LEU n 
1 14  ASP n 
1 15  ARG n 
1 16  ASN n 
1 17  THR n 
1 18  ALA n 
1 19  ASN n 
1 20  SER n 
1 21  TRP n 
1 22  LEU n 
1 23  ILE n 
1 24  ILE n 
1 25  SER n 
1 26  LYS n 
1 27  ASP n 
1 28  ARG n 
1 29  ARG n 
1 30  GLN n 
1 31  VAL n 
1 32  ARG n 
1 33  MET n 
1 34  GLY n 
1 35  ASP n 
1 36  THR n 
1 37  HIS n 
1 38  GLN n 
1 39  ASN n 
1 40  VAL n 
1 41  SER n 
1 42  ASP n 
1 43  ASN n 
1 44  LYS n 
1 45  GLU n 
1 46  ARG n 
1 47  PHE n 
1 48  SER n 
1 49  ASN n 
1 50  TYR n 
1 51  PRO n 
1 52  MET n 
1 53  VAL n 
1 54  LEU n 
1 55  GLY n 
1 56  ALA n 
1 57  GLN n 
1 58  ARG n 
1 59  PHE n 
1 60  SER n 
1 61  SER n 
1 62  GLY n 
1 63  LYS n 
1 64  MET n 
1 65  TYR n 
1 66  TRP n 
1 67  GLU n 
1 68  VAL n 
1 69  ASP n 
1 70  VAL n 
1 71  THR n 
1 72  GLN n 
1 73  LYS n 
1 74  GLU n 
1 75  ALA n 
1 76  TRP n 
1 77  ASP n 
1 78  LEU n 
1 79  GLY n 
1 80  VAL n 
1 81  CYS n 
1 82  ARG n 
1 83  ASP n 
1 84  SER n 
1 85  VAL n 
1 86  GLN n 
1 87  ARG n 
1 88  LYS n 
1 89  GLY n 
1 90  GLN n 
1 91  PHE n 
1 92  SER n 
1 93  LEU n 
1 94  SER n 
1 95  PRO n 
1 96  GLU n 
1 97  ASN n 
1 98  GLY n 
1 99  PHE n 
1 100 TRP n 
1 101 THR n 
1 102 ILE n 
1 103 TRP n 
1 104 LEU n 
1 105 TRP n 
1 106 GLN n 
1 107 ASP n 
1 108 SER n 
1 109 TYR n 
1 110 GLU n 
1 111 ALA n 
1 112 GLY n 
1 113 THR n 
1 114 SER n 
1 115 PRO n 
1 116 GLN n 
1 117 THR n 
1 118 THR n 
1 119 LEU n 
1 120 HIS n 
1 121 ILE n 
1 122 GLN n 
1 123 VAL n 
1 124 PRO n 
1 125 PRO n 
1 126 CYS n 
1 127 GLN n 
1 128 ILE n 
1 129 GLY n 
1 130 ILE n 
1 131 PHE n 
1 132 VAL n 
1 133 ASP n 
1 134 TYR n 
1 135 GLU n 
1 136 ALA n 
1 137 GLY n 
1 138 VAL n 
1 139 VAL n 
1 140 SER n 
1 141 PHE n 
1 142 TYR n 
1 143 ASN n 
1 144 ILE n 
1 145 THR n 
1 146 ASP n 
1 147 HIS n 
1 148 GLY n 
1 149 SER n 
1 150 LEU n 
1 151 ILE n 
1 152 TYR n 
1 153 THR n 
1 154 PHE n 
1 155 SER n 
1 156 GLU n 
1 157 CYS n 
1 158 VAL n 
1 159 PHE n 
1 160 ALA n 
1 161 GLY n 
1 162 PRO n 
1 163 LEU n 
1 164 ARG n 
1 165 PRO n 
1 166 PHE n 
1 167 PHE n 
1 168 ASN n 
1 169 VAL n 
1 170 GLY n 
1 171 PHE n 
1 172 ASN n 
1 173 TYR n 
1 174 SER n 
1 175 GLY n 
1 176 GLY n 
1 177 ASN n 
1 178 ALA n 
1 179 ALA n 
1 180 PRO n 
1 181 LEU n 
1 182 LYS n 
1 183 LEU n 
1 184 CYS n 
1 185 PRO n 
1 186 LEU n 
1 187 LYS n 
1 188 MET n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   188 
_entity_src_gen.gene_src_common_name               'house mouse' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'Trim21, Ro52, Ssa1' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Mus musculus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     10090 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE                                       ?                 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE                                      ?                 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE                                    ?                 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'                               ?                 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE                                      ?                 'C3 H7 N O2 S'   121.158 
EDO non-polymer         . 1,2-ETHANEDIOL                                'ETHYLENE GLYCOL' 'C2 H6 O2'       62.068  
GLN 'L-peptide linking' y GLUTAMINE                                     ?                 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'                               ?                 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE                                       ?                 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE                                     ?                 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER                                         ?                 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE                                    ?                 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE                                       ?                 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE                                        ?                 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE                                    ?                 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE                                 ?                 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE                                       ?                 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE                                        ?                 'C3 H7 N O3'     105.093 
SO4 non-polymer         . 'SULFATE ION'                                 ?                 'O4 S -2'        96.063  
T6J non-polymer         . '2-[(methylsulfonyl)methyl]-1H-benzimidazole' ?                 'C9 H10 N2 O2 S' 210.253 
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        T6J 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   T6J 
_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 T6J 1   201 302 T6J LIG B . 
C 3 EDO 1   202 305 EDO EDO B . 
D 4 SO4 1   203 1   SO4 SO4 B . 
E 5 HOH 1   301 107 HOH HOH B . 
E 5 HOH 2   302 11  HOH HOH B . 
E 5 HOH 3   303 29  HOH HOH B . 
E 5 HOH 4   304 2   HOH HOH B . 
E 5 HOH 5   305 12  HOH HOH B . 
E 5 HOH 6   306 26  HOH HOH B . 
E 5 HOH 7   307 33  HOH HOH B . 
E 5 HOH 8   308 99  HOH HOH B . 
E 5 HOH 9   309 9   HOH HOH B . 
E 5 HOH 10  310 1   HOH HOH B . 
E 5 HOH 11  311 21  HOH HOH B . 
E 5 HOH 12  312 40  HOH HOH B . 
E 5 HOH 13  313 27  HOH HOH B . 
E 5 HOH 14  314 102 HOH HOH B . 
E 5 HOH 15  315 4   HOH HOH B . 
E 5 HOH 16  316 63  HOH HOH B . 
E 5 HOH 17  317 51  HOH HOH B . 
E 5 HOH 18  318 16  HOH HOH B . 
E 5 HOH 19  319 95  HOH HOH B . 
E 5 HOH 20  320 90  HOH HOH B . 
E 5 HOH 21  321 25  HOH HOH B . 
E 5 HOH 22  322 5   HOH HOH B . 
E 5 HOH 23  323 264 HOH HOH B . 
E 5 HOH 24  324 34  HOH HOH B . 
E 5 HOH 25  325 70  HOH HOH B . 
E 5 HOH 26  326 31  HOH HOH B . 
E 5 HOH 27  327 10  HOH HOH B . 
E 5 HOH 28  328 11  HOH HOH B . 
E 5 HOH 29  329 27  HOH HOH B . 
E 5 HOH 30  330 129 HOH HOH B . 
E 5 HOH 31  331 80  HOH HOH B . 
E 5 HOH 32  332 16  HOH HOH B . 
E 5 HOH 33  333 36  HOH HOH B . 
E 5 HOH 34  334 39  HOH HOH B . 
E 5 HOH 35  335 66  HOH HOH B . 
E 5 HOH 36  336 100 HOH HOH B . 
E 5 HOH 37  337 26  HOH HOH B . 
E 5 HOH 38  338 22  HOH HOH B . 
E 5 HOH 39  339 184 HOH HOH B . 
E 5 HOH 40  340 72  HOH HOH B . 
E 5 HOH 41  341 214 HOH HOH B . 
E 5 HOH 42  342 20  HOH HOH B . 
E 5 HOH 43  343 18  HOH HOH B . 
E 5 HOH 44  344 68  HOH HOH B . 
E 5 HOH 45  345 28  HOH HOH B . 
E 5 HOH 46  346 7   HOH HOH B . 
E 5 HOH 47  347 2   HOH HOH B . 
E 5 HOH 48  348 6   HOH HOH B . 
E 5 HOH 49  349 58  HOH HOH B . 
E 5 HOH 50  350 50  HOH HOH B . 
E 5 HOH 51  351 55  HOH HOH B . 
E 5 HOH 52  352 59  HOH HOH B . 
E 5 HOH 53  353 137 HOH HOH B . 
E 5 HOH 54  354 1   HOH HOH B . 
E 5 HOH 55  355 10  HOH HOH B . 
E 5 HOH 56  356 29  HOH HOH B . 
E 5 HOH 57  357 62  HOH HOH B . 
E 5 HOH 58  358 3   HOH HOH B . 
E 5 HOH 59  359 17  HOH HOH B . 
E 5 HOH 60  360 267 HOH HOH B . 
E 5 HOH 61  361 126 HOH HOH B . 
E 5 HOH 62  362 81  HOH HOH B . 
E 5 HOH 63  363 86  HOH HOH B . 
E 5 HOH 64  364 172 HOH HOH B . 
E 5 HOH 65  365 19  HOH HOH B . 
E 5 HOH 66  366 8   HOH HOH B . 
E 5 HOH 67  367 85  HOH HOH B . 
E 5 HOH 68  368 76  HOH HOH B . 
E 5 HOH 69  369 33  HOH HOH B . 
E 5 HOH 70  370 157 HOH HOH B . 
E 5 HOH 71  371 4   HOH HOH B . 
E 5 HOH 72  372 304 HOH HOH B . 
E 5 HOH 73  373 47  HOH HOH B . 
E 5 HOH 74  374 15  HOH HOH B . 
E 5 HOH 75  375 61  HOH HOH B . 
E 5 HOH 76  376 89  HOH HOH B . 
E 5 HOH 77  377 14  HOH HOH B . 
E 5 HOH 78  378 13  HOH HOH B . 
E 5 HOH 79  379 43  HOH HOH B . 
E 5 HOH 80  380 32  HOH HOH B . 
E 5 HOH 81  381 71  HOH HOH B . 
E 5 HOH 82  382 93  HOH HOH B . 
E 5 HOH 83  383 3   HOH HOH B . 
E 5 HOH 84  384 25  HOH HOH B . 
E 5 HOH 85  385 116 HOH HOH B . 
E 5 HOH 86  386 48  HOH HOH B . 
E 5 HOH 87  387 211 HOH HOH B . 
E 5 HOH 88  388 154 HOH HOH B . 
E 5 HOH 89  389 32  HOH HOH B . 
E 5 HOH 90  390 156 HOH HOH B . 
E 5 HOH 91  391 24  HOH HOH B . 
E 5 HOH 92  392 257 HOH HOH B . 
E 5 HOH 93  393 73  HOH HOH B . 
E 5 HOH 94  394 82  HOH HOH B . 
E 5 HOH 95  395 303 HOH HOH B . 
E 5 HOH 96  396 45  HOH HOH B . 
E 5 HOH 97  397 103 HOH HOH B . 
E 5 HOH 98  398 281 HOH HOH B . 
E 5 HOH 99  399 57  HOH HOH B . 
E 5 HOH 100 400 22  HOH HOH B . 
E 5 HOH 101 401 64  HOH HOH B . 
E 5 HOH 102 402 23  HOH HOH B . 
E 5 HOH 103 403 8   HOH HOH B . 
E 5 HOH 104 404 125 HOH HOH B . 
E 5 HOH 105 405 60  HOH HOH B . 
E 5 HOH 106 406 56  HOH HOH B . 
E 5 HOH 107 407 5   HOH HOH B . 
E 5 HOH 108 408 42  HOH HOH B . 
E 5 HOH 109 409 20  HOH HOH B . 
E 5 HOH 110 410 97  HOH HOH B . 
E 5 HOH 111 411 12  HOH HOH B . 
E 5 HOH 112 412 7   HOH HOH B . 
E 5 HOH 113 413 49  HOH HOH B . 
E 5 HOH 114 414 54  HOH HOH B . 
E 5 HOH 115 415 69  HOH HOH B . 
E 5 HOH 116 416 38  HOH HOH B . 
E 5 HOH 117 417 120 HOH HOH B . 
E 5 HOH 118 418 15  HOH HOH B . 
E 5 HOH 119 419 140 HOH HOH B . 
E 5 HOH 120 420 30  HOH HOH B . 
E 5 HOH 121 421 18  HOH HOH B . 
E 5 HOH 122 422 263 HOH HOH B . 
E 5 HOH 123 423 53  HOH HOH B . 
E 5 HOH 124 424 41  HOH HOH B . 
E 5 HOH 125 425 197 HOH HOH B . 
E 5 HOH 126 426 44  HOH HOH B . 
E 5 HOH 127 427 19  HOH HOH B . 
E 5 HOH 128 428 133 HOH HOH B . 
E 5 HOH 129 429 112 HOH HOH B . 
E 5 HOH 130 430 30  HOH HOH B . 
E 5 HOH 131 431 266 HOH HOH B . 
E 5 HOH 132 432 114 HOH HOH B . 
E 5 HOH 133 433 115 HOH HOH B . 
E 5 HOH 134 434 23  HOH HOH B . 
E 5 HOH 135 435 21  HOH HOH B . 
E 5 HOH 136 436 13  HOH HOH B . 
E 5 HOH 137 437 98  HOH HOH B . 
E 5 HOH 138 438 46  HOH HOH B . 
E 5 HOH 139 439 205 HOH HOH B . 
E 5 HOH 140 440 104 HOH HOH B . 
E 5 HOH 141 441 166 HOH HOH B . 
E 5 HOH 142 442 127 HOH HOH B . 
E 5 HOH 143 443 14  HOH HOH B . 
E 5 HOH 144 444 270 HOH HOH B . 
E 5 HOH 145 445 131 HOH HOH B . 
E 5 HOH 146 446 259 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           7HMS 
_cell.length_a           95.442 
_cell.length_b           95.442 
_cell.length_c           45.856 
_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                         7HMS 
_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          7HMS 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.42 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   49.13 
_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   2024-05-24 
_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   0.92124 
_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        0.92124 
_diffrn_source.pdbx_synchrotron_site       Diamond 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HMS 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             67.480 
_reflns.d_resolution_high            1.150 
_reflns.number_obs                   62571 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         84.700 
_reflns.pdbx_Rmerge_I_obs            0.041 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        26.500 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              9.400 
_reflns.pdbx_Rrim_I_all              0.043 
_reflns.pdbx_Rpim_I_all              0.012 
_reflns.pdbx_CC_half                 0.999 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     590480 
_reflns.pdbx_scaling_rejects         0 
_reflns.pdbx_chi_squared             ? 
_reflns.Rmerge_F_all                 ? 
_reflns.Rmerge_F_obs                 ? 
_reflns.observed_criterion_F_max     ? 
_reflns.observed_criterion_F_min     ? 
_reflns.observed_criterion_I_max     ? 
_reflns.observed_criterion_I_min     ? 
_reflns.pdbx_d_res_high_opt          ? 
_reflns.pdbx_d_res_low_opt           ? 
_reflns.details                      ? 
# 
loop_
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_ordinal 
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.number_measured_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_unique_obs 
_reflns_shell.pdbx_rejects 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_redundancy 
_reflns_shell.percent_possible_obs 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.Rmerge_I_all 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.percent_possible_all 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_CC_half 
1 1 1.150 1.170  ? 335  328 ? 0.348 ? ? ? 1.000  ? 0.600   ? ? ? ? ? ? 9.200  0.492 0.348 0.120 
1 2 6.280 67.480 ? 6244 490 ? 0.038 ? ? ? 12.700 ? 108.600 ? ? ? ? ? ? 99.900 0.040 0.012 0.999 
# 
_refine.entry_id                                 7HMS 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.1500 
_refine.ls_d_res_low                             67.4900 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    84.5500 
_refine.ls_number_reflns_obs                     59536 
_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                          0.1785 
_refine.ls_R_factor_R_work                       0.1777 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.1944 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.8000 
_refine.ls_number_reflns_R_free                  3034 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               14.4640 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.0900 
_refine.aniso_B[2][2]                            0.0900 
_refine.aniso_B[3][3]                            -0.1800 
_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          0.9610 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.overall_SU_R_free                        ? 
_refine.pdbx_overall_ESU_R                       0.0430 
_refine.pdbx_overall_ESU_R_Free                  0.0440 
_refine.overall_SU_ML                            0.0310 
_refine.overall_SU_B                             0.6990 
_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                                61.980 
_refine.B_iso_min                                7.370 
_refine.pdbx_overall_phase_error                 ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.pdbx_diffrn_id                           1 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.ls_R_factor_R_free_error_details         ? 
# 
_refine_hist.cycle_id                         final 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.d_res_high                       1.1500 
_refine_hist.d_res_low                        67.4900 
_refine_hist.pdbx_number_atoms_ligand         23 
_refine_hist.number_atoms_solvent             146 
_refine_hist.number_atoms_total               1662 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           29.85 
_refine_hist.pdbx_B_iso_mean_solvent          25.19 
_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       2126 0.013  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1662 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2647 1.906  1.657  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3834 1.453  1.594  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 247  7.328  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 113  27.532 21.150 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 291  11.762 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   22.902 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         223  0.087  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2355 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     541  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            988  1.230  1.273  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         984  1.213  1.263  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1177 1.921  1.910  ? ? 
# 
_refine_ls_shell.d_res_high                       1.1460 
_refine_ls_shell.d_res_low                        1.1760 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               13.1700 
_refine_ls_shell.number_reflns_R_work             679 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3170 
_refine_ls_shell.R_factor_R_free                  0.3910 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             35 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                714 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HMS 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z126932614' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HMS 
_struct_keywords.text            'SGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, TRIM21, LIGASE' 
_struct_keywords.pdbx_keywords   LIGASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
E N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    RO52_MOUSE 
_struct_ref.pdbx_db_accession          Q62191 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;VHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGVCRDSVQRK
GQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFAGPLRPFFN
VGFNYSGGNAAPLKLCPLKM
;
_struct_ref.pdbx_align_begin           291 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              7HMS 
_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 7HMS MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HMS HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HMS HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HMS HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HMS HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HMS HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HMS HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HMS MET B 8 ? UNP Q62191 ? ? 'expression tag'        14 8 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 4  ? MET A 8  ? HIS B 10  MET B 14  5 ? 5 
HELX_P HELX_P2 AA2 ASP A 14 ? ALA A 18 ? ASP B 20  ALA B 24  5 ? 5 
HELX_P HELX_P3 AA3 SER A 94 ? ASN A 97 ? SER B 100 ASN B 103 5 ? 4 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           114 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            120 
_struct_mon_prot_cis.auth_asym_id           B 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    115 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     121 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    B 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -0.21 
# 
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                   7HMS 
_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                130.86 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            19.06 
_pdbx_validate_rmsd_angle.angle_standard_deviation   2.10 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    ASP 
_pdbx_validate_torsion.auth_asym_id    B 
_pdbx_validate_torsion.auth_seq_id     152 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -102.99 
_pdbx_validate_torsion.psi             51.84 
# 
_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     432 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   E 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
_phasing.method   MR 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 B MET 7   ? A MET 1   
2 1 Y 1 B LYS 193 ? A LYS 187 
3 1 Y 1 B MET 194 ? A MET 188 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
EDO C1   C N N 88  
EDO O1   O N N 89  
EDO C2   C N N 90  
EDO O2   O N N 91  
EDO H11  H N N 92  
EDO H12  H N N 93  
EDO HO1  H N N 94  
EDO H21  H N N 95  
EDO H22  H N N 96  
EDO HO2  H N N 97  
GLN N    N N N 98  
GLN CA   C N S 99  
GLN C    C N N 100 
GLN O    O N N 101 
GLN CB   C N N 102 
GLN CG   C N N 103 
GLN CD   C N N 104 
GLN OE1  O N N 105 
GLN NE2  N N N 106 
GLN OXT  O N N 107 
GLN H    H N N 108 
GLN H2   H N N 109 
GLN HA   H N N 110 
GLN HB2  H N N 111 
GLN HB3  H N N 112 
GLN HG2  H N N 113 
GLN HG3  H N N 114 
GLN HE21 H N N 115 
GLN HE22 H N N 116 
GLN HXT  H N N 117 
GLU N    N N N 118 
GLU CA   C N S 119 
GLU C    C N N 120 
GLU O    O N N 121 
GLU CB   C N N 122 
GLU CG   C N N 123 
GLU CD   C N N 124 
GLU OE1  O N N 125 
GLU OE2  O N N 126 
GLU OXT  O N N 127 
GLU H    H N N 128 
GLU H2   H N N 129 
GLU HA   H N N 130 
GLU HB2  H N N 131 
GLU HB3  H N N 132 
GLU HG2  H N N 133 
GLU HG3  H N N 134 
GLU HE2  H N N 135 
GLU HXT  H N N 136 
GLY N    N N N 137 
GLY CA   C N N 138 
GLY C    C N N 139 
GLY O    O N N 140 
GLY OXT  O N N 141 
GLY H    H N N 142 
GLY H2   H N N 143 
GLY HA2  H N N 144 
GLY HA3  H N N 145 
GLY HXT  H N N 146 
HIS N    N N N 147 
HIS CA   C N S 148 
HIS C    C N N 149 
HIS O    O N N 150 
HIS CB   C N N 151 
HIS CG   C Y N 152 
HIS ND1  N Y N 153 
HIS CD2  C Y N 154 
HIS CE1  C Y N 155 
HIS NE2  N Y N 156 
HIS OXT  O N N 157 
HIS H    H N N 158 
HIS H2   H N N 159 
HIS HA   H N N 160 
HIS HB2  H N N 161 
HIS HB3  H N N 162 
HIS HD1  H N N 163 
HIS HD2  H N N 164 
HIS HE1  H N N 165 
HIS HE2  H N N 166 
HIS HXT  H N N 167 
HOH O    O N N 168 
HOH H1   H N N 169 
HOH H2   H N N 170 
ILE N    N N N 171 
ILE CA   C N S 172 
ILE C    C N N 173 
ILE O    O N N 174 
ILE CB   C N S 175 
ILE CG1  C N N 176 
ILE CG2  C N N 177 
ILE CD1  C N N 178 
ILE OXT  O N N 179 
ILE H    H N N 180 
ILE H2   H N N 181 
ILE HA   H N N 182 
ILE HB   H N N 183 
ILE HG12 H N N 184 
ILE HG13 H N N 185 
ILE HG21 H N N 186 
ILE HG22 H N N 187 
ILE HG23 H N N 188 
ILE HD11 H N N 189 
ILE HD12 H N N 190 
ILE HD13 H N N 191 
ILE HXT  H N N 192 
LEU N    N N N 193 
LEU CA   C N S 194 
LEU C    C N N 195 
LEU O    O N N 196 
LEU CB   C N N 197 
LEU CG   C N N 198 
LEU CD1  C N N 199 
LEU CD2  C N N 200 
LEU OXT  O N N 201 
LEU H    H N N 202 
LEU H2   H N N 203 
LEU HA   H N N 204 
LEU HB2  H N N 205 
LEU HB3  H N N 206 
LEU HG   H N N 207 
LEU HD11 H N N 208 
LEU HD12 H N N 209 
LEU HD13 H N N 210 
LEU HD21 H N N 211 
LEU HD22 H N N 212 
LEU HD23 H N N 213 
LEU HXT  H N N 214 
LYS N    N N N 215 
LYS CA   C N S 216 
LYS C    C N N 217 
LYS O    O N N 218 
LYS CB   C N N 219 
LYS CG   C N N 220 
LYS CD   C N N 221 
LYS CE   C N N 222 
LYS NZ   N N N 223 
LYS OXT  O N N 224 
LYS H    H N N 225 
LYS H2   H N N 226 
LYS HA   H N N 227 
LYS HB2  H N N 228 
LYS HB3  H N N 229 
LYS HG2  H N N 230 
LYS HG3  H N N 231 
LYS HD2  H N N 232 
LYS HD3  H N N 233 
LYS HE2  H N N 234 
LYS HE3  H N N 235 
LYS HZ1  H N N 236 
LYS HZ2  H N N 237 
LYS HZ3  H N N 238 
LYS HXT  H N N 239 
MET N    N N N 240 
MET CA   C N S 241 
MET C    C N N 242 
MET O    O N N 243 
MET CB   C N N 244 
MET CG   C N N 245 
MET SD   S N N 246 
MET CE   C N N 247 
MET OXT  O N N 248 
MET H    H N N 249 
MET H2   H N N 250 
MET HA   H N N 251 
MET HB2  H N N 252 
MET HB3  H N N 253 
MET HG2  H N N 254 
MET HG3  H N N 255 
MET HE1  H N N 256 
MET HE2  H N N 257 
MET HE3  H N N 258 
MET HXT  H N N 259 
PHE N    N N N 260 
PHE CA   C N S 261 
PHE C    C N N 262 
PHE O    O N N 263 
PHE CB   C N N 264 
PHE CG   C Y N 265 
PHE CD1  C Y N 266 
PHE CD2  C Y N 267 
PHE CE1  C Y N 268 
PHE CE2  C Y N 269 
PHE CZ   C Y N 270 
PHE OXT  O N N 271 
PHE H    H N N 272 
PHE H2   H N N 273 
PHE HA   H N N 274 
PHE HB2  H N N 275 
PHE HB3  H N N 276 
PHE HD1  H N N 277 
PHE HD2  H N N 278 
PHE HE1  H N N 279 
PHE HE2  H N N 280 
PHE HZ   H N N 281 
PHE HXT  H N N 282 
PRO N    N N N 283 
PRO CA   C N S 284 
PRO C    C N N 285 
PRO O    O N N 286 
PRO CB   C N N 287 
PRO CG   C N N 288 
PRO CD   C N N 289 
PRO OXT  O N N 290 
PRO H    H N N 291 
PRO HA   H N N 292 
PRO HB2  H N N 293 
PRO HB3  H N N 294 
PRO HG2  H N N 295 
PRO HG3  H N N 296 
PRO HD2  H N N 297 
PRO HD3  H N N 298 
PRO HXT  H N N 299 
SER N    N N N 300 
SER CA   C N S 301 
SER C    C N N 302 
SER O    O N N 303 
SER CB   C N N 304 
SER OG   O N N 305 
SER OXT  O N N 306 
SER H    H N N 307 
SER H2   H N N 308 
SER HA   H N N 309 
SER HB2  H N N 310 
SER HB3  H N N 311 
SER HG   H N N 312 
SER HXT  H N N 313 
SO4 S    S N N 314 
SO4 O1   O N N 315 
SO4 O2   O N N 316 
SO4 O3   O N N 317 
SO4 O4   O N N 318 
T6J N1   N Y N 319 
T6J C4   C Y N 320 
T6J C5   C Y N 321 
T6J C6   C Y N 322 
T6J C7   C Y N 323 
T6J C8   C Y N 324 
T6J N    N Y N 325 
T6J C    C N N 326 
T6J O    O N N 327 
T6J C1   C N N 328 
T6J C2   C Y N 329 
T6J C3   C Y N 330 
T6J O1   O N N 331 
T6J S    S N N 332 
T6J H9   H N N 333 
T6J H5   H N N 334 
T6J H6   H N N 335 
T6J H7   H N N 336 
T6J H8   H N N 337 
T6J H1   H N N 338 
T6J H    H N N 339 
T6J H2   H N N 340 
T6J H4   H N N 341 
T6J H3   H N N 342 
THR N    N N N 343 
THR CA   C N S 344 
THR C    C N N 345 
THR O    O N N 346 
THR CB   C N R 347 
THR OG1  O N N 348 
THR CG2  C N N 349 
THR OXT  O N N 350 
THR H    H N N 351 
THR H2   H N N 352 
THR HA   H N N 353 
THR HB   H N N 354 
THR HG1  H N N 355 
THR HG21 H N N 356 
THR HG22 H N N 357 
THR HG23 H N N 358 
THR HXT  H N N 359 
TRP N    N N N 360 
TRP CA   C N S 361 
TRP C    C N N 362 
TRP O    O N N 363 
TRP CB   C N N 364 
TRP CG   C Y N 365 
TRP CD1  C Y N 366 
TRP CD2  C Y N 367 
TRP NE1  N Y N 368 
TRP CE2  C Y N 369 
TRP CE3  C Y N 370 
TRP CZ2  C Y N 371 
TRP CZ3  C Y N 372 
TRP CH2  C Y N 373 
TRP OXT  O N N 374 
TRP H    H N N 375 
TRP H2   H N N 376 
TRP HA   H N N 377 
TRP HB2  H N N 378 
TRP HB3  H N N 379 
TRP HD1  H N N 380 
TRP HE1  H N N 381 
TRP HE3  H N N 382 
TRP HZ2  H N N 383 
TRP HZ3  H N N 384 
TRP HH2  H N N 385 
TRP HXT  H N N 386 
TYR N    N N N 387 
TYR CA   C N S 388 
TYR C    C N N 389 
TYR O    O N N 390 
TYR CB   C N N 391 
TYR CG   C Y N 392 
TYR CD1  C Y N 393 
TYR CD2  C Y N 394 
TYR CE1  C Y N 395 
TYR CE2  C Y N 396 
TYR CZ   C Y N 397 
TYR OH   O N N 398 
TYR OXT  O N N 399 
TYR H    H N N 400 
TYR H2   H N N 401 
TYR HA   H N N 402 
TYR HB2  H N N 403 
TYR HB3  H N N 404 
TYR HD1  H N N 405 
TYR HD2  H N N 406 
TYR HE1  H N N 407 
TYR HE2  H N N 408 
TYR HH   H N N 409 
TYR HXT  H N N 410 
VAL N    N N N 411 
VAL CA   C N S 412 
VAL C    C N N 413 
VAL O    O N N 414 
VAL CB   C N N 415 
VAL CG1  C N N 416 
VAL CG2  C N N 417 
VAL OXT  O N N 418 
VAL H    H N N 419 
VAL H2   H N N 420 
VAL HA   H N N 421 
VAL HB   H N N 422 
VAL HG11 H N N 423 
VAL HG12 H N N 424 
VAL HG13 H N N 425 
VAL HG21 H N N 426 
VAL HG22 H N N 427 
VAL HG23 H N N 428 
VAL HXT  H N N 429 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
EDO C1  O1   sing N N 83  
EDO C1  C2   sing N N 84  
EDO C1  H11  sing N N 85  
EDO C1  H12  sing N N 86  
EDO O1  HO1  sing N N 87  
EDO C2  O2   sing N N 88  
EDO C2  H21  sing N N 89  
EDO C2  H22  sing N N 90  
EDO O2  HO2  sing N N 91  
GLN N   CA   sing N N 92  
GLN N   H    sing N N 93  
GLN N   H2   sing N N 94  
GLN CA  C    sing N N 95  
GLN CA  CB   sing N N 96  
GLN CA  HA   sing N N 97  
GLN C   O    doub N N 98  
GLN C   OXT  sing N N 99  
GLN CB  CG   sing N N 100 
GLN CB  HB2  sing N N 101 
GLN CB  HB3  sing N N 102 
GLN CG  CD   sing N N 103 
GLN CG  HG2  sing N N 104 
GLN CG  HG3  sing N N 105 
GLN CD  OE1  doub N N 106 
GLN CD  NE2  sing N N 107 
GLN NE2 HE21 sing N N 108 
GLN NE2 HE22 sing N N 109 
GLN OXT HXT  sing N N 110 
GLU N   CA   sing N N 111 
GLU N   H    sing N N 112 
GLU N   H2   sing N N 113 
GLU CA  C    sing N N 114 
GLU CA  CB   sing N N 115 
GLU CA  HA   sing N N 116 
GLU C   O    doub N N 117 
GLU C   OXT  sing N N 118 
GLU CB  CG   sing N N 119 
GLU CB  HB2  sing N N 120 
GLU CB  HB3  sing N N 121 
GLU CG  CD   sing N N 122 
GLU CG  HG2  sing N N 123 
GLU CG  HG3  sing N N 124 
GLU CD  OE1  doub N N 125 
GLU CD  OE2  sing N N 126 
GLU OE2 HE2  sing N N 127 
GLU OXT HXT  sing N N 128 
GLY N   CA   sing N N 129 
GLY N   H    sing N N 130 
GLY N   H2   sing N N 131 
GLY CA  C    sing N N 132 
GLY CA  HA2  sing N N 133 
GLY CA  HA3  sing N N 134 
GLY C   O    doub N N 135 
GLY C   OXT  sing N N 136 
GLY OXT HXT  sing N N 137 
HIS N   CA   sing N N 138 
HIS N   H    sing N N 139 
HIS N   H2   sing N N 140 
HIS CA  C    sing N N 141 
HIS CA  CB   sing N N 142 
HIS CA  HA   sing N N 143 
HIS C   O    doub N N 144 
HIS C   OXT  sing N N 145 
HIS CB  CG   sing N N 146 
HIS CB  HB2  sing N N 147 
HIS CB  HB3  sing N N 148 
HIS CG  ND1  sing Y N 149 
HIS CG  CD2  doub Y N 150 
HIS ND1 CE1  doub Y N 151 
HIS ND1 HD1  sing N N 152 
HIS CD2 NE2  sing Y N 153 
HIS CD2 HD2  sing N N 154 
HIS CE1 NE2  sing Y N 155 
HIS CE1 HE1  sing N N 156 
HIS NE2 HE2  sing N N 157 
HIS OXT HXT  sing N N 158 
HOH O   H1   sing N N 159 
HOH O   H2   sing N N 160 
ILE N   CA   sing N N 161 
ILE N   H    sing N N 162 
ILE N   H2   sing N N 163 
ILE CA  C    sing N N 164 
ILE CA  CB   sing N N 165 
ILE CA  HA   sing N N 166 
ILE C   O    doub N N 167 
ILE C   OXT  sing N N 168 
ILE CB  CG1  sing N N 169 
ILE CB  CG2  sing N N 170 
ILE CB  HB   sing N N 171 
ILE CG1 CD1  sing N N 172 
ILE CG1 HG12 sing N N 173 
ILE CG1 HG13 sing N N 174 
ILE CG2 HG21 sing N N 175 
ILE CG2 HG22 sing N N 176 
ILE CG2 HG23 sing N N 177 
ILE CD1 HD11 sing N N 178 
ILE CD1 HD12 sing N N 179 
ILE CD1 HD13 sing N N 180 
ILE OXT HXT  sing N N 181 
LEU N   CA   sing N N 182 
LEU N   H    sing N N 183 
LEU N   H2   sing N N 184 
LEU CA  C    sing N N 185 
LEU CA  CB   sing N N 186 
LEU CA  HA   sing N N 187 
LEU C   O    doub N N 188 
LEU C   OXT  sing N N 189 
LEU CB  CG   sing N N 190 
LEU CB  HB2  sing N N 191 
LEU CB  HB3  sing N N 192 
LEU CG  CD1  sing N N 193 
LEU CG  CD2  sing N N 194 
LEU CG  HG   sing N N 195 
LEU CD1 HD11 sing N N 196 
LEU CD1 HD12 sing N N 197 
LEU CD1 HD13 sing N N 198 
LEU CD2 HD21 sing N N 199 
LEU CD2 HD22 sing N N 200 
LEU CD2 HD23 sing N N 201 
LEU OXT HXT  sing N N 202 
LYS N   CA   sing N N 203 
LYS N   H    sing N N 204 
LYS N   H2   sing N N 205 
LYS CA  C    sing N N 206 
LYS CA  CB   sing N N 207 
LYS CA  HA   sing N N 208 
LYS C   O    doub N N 209 
LYS C   OXT  sing N N 210 
LYS CB  CG   sing N N 211 
LYS CB  HB2  sing N N 212 
LYS CB  HB3  sing N N 213 
LYS CG  CD   sing N N 214 
LYS CG  HG2  sing N N 215 
LYS CG  HG3  sing N N 216 
LYS CD  CE   sing N N 217 
LYS CD  HD2  sing N N 218 
LYS CD  HD3  sing N N 219 
LYS CE  NZ   sing N N 220 
LYS CE  HE2  sing N N 221 
LYS CE  HE3  sing N N 222 
LYS NZ  HZ1  sing N N 223 
LYS NZ  HZ2  sing N N 224 
LYS NZ  HZ3  sing N N 225 
LYS OXT HXT  sing N N 226 
MET N   CA   sing N N 227 
MET N   H    sing N N 228 
MET N   H2   sing N N 229 
MET CA  C    sing N N 230 
MET CA  CB   sing N N 231 
MET CA  HA   sing N N 232 
MET C   O    doub N N 233 
MET C   OXT  sing N N 234 
MET CB  CG   sing N N 235 
MET CB  HB2  sing N N 236 
MET CB  HB3  sing N N 237 
MET CG  SD   sing N N 238 
MET CG  HG2  sing N N 239 
MET CG  HG3  sing N N 240 
MET SD  CE   sing N N 241 
MET CE  HE1  sing N N 242 
MET CE  HE2  sing N N 243 
MET CE  HE3  sing N N 244 
MET OXT HXT  sing N N 245 
PHE N   CA   sing N N 246 
PHE N   H    sing N N 247 
PHE N   H2   sing N N 248 
PHE CA  C    sing N N 249 
PHE CA  CB   sing N N 250 
PHE CA  HA   sing N N 251 
PHE C   O    doub N N 252 
PHE C   OXT  sing N N 253 
PHE CB  CG   sing N N 254 
PHE CB  HB2  sing N N 255 
PHE CB  HB3  sing N N 256 
PHE CG  CD1  doub Y N 257 
PHE CG  CD2  sing Y N 258 
PHE CD1 CE1  sing Y N 259 
PHE CD1 HD1  sing N N 260 
PHE CD2 CE2  doub Y N 261 
PHE CD2 HD2  sing N N 262 
PHE CE1 CZ   doub Y N 263 
PHE CE1 HE1  sing N N 264 
PHE CE2 CZ   sing Y N 265 
PHE CE2 HE2  sing N N 266 
PHE CZ  HZ   sing N N 267 
PHE OXT HXT  sing N N 268 
PRO N   CA   sing N N 269 
PRO N   CD   sing N N 270 
PRO N   H    sing N N 271 
PRO CA  C    sing N N 272 
PRO CA  CB   sing N N 273 
PRO CA  HA   sing N N 274 
PRO C   O    doub N N 275 
PRO C   OXT  sing N N 276 
PRO CB  CG   sing N N 277 
PRO CB  HB2  sing N N 278 
PRO CB  HB3  sing N N 279 
PRO CG  CD   sing N N 280 
PRO CG  HG2  sing N N 281 
PRO CG  HG3  sing N N 282 
PRO CD  HD2  sing N N 283 
PRO CD  HD3  sing N N 284 
PRO OXT HXT  sing N N 285 
SER N   CA   sing N N 286 
SER N   H    sing N N 287 
SER N   H2   sing N N 288 
SER CA  C    sing N N 289 
SER CA  CB   sing N N 290 
SER CA  HA   sing N N 291 
SER C   O    doub N N 292 
SER C   OXT  sing N N 293 
SER CB  OG   sing N N 294 
SER CB  HB2  sing N N 295 
SER CB  HB3  sing N N 296 
SER OG  HG   sing N N 297 
SER OXT HXT  sing N N 298 
SO4 S   O1   doub N N 299 
SO4 S   O2   doub N N 300 
SO4 S   O3   sing N N 301 
SO4 S   O4   sing N N 302 
T6J C   S    sing N N 303 
T6J O   S    doub N N 304 
T6J S   O1   doub N N 305 
T6J C1  S    sing N N 306 
T6J C2  C1   sing N N 307 
T6J C2  N    doub Y N 308 
T6J N   C3   sing Y N 309 
T6J C3  C4   sing Y N 310 
T6J C4  C5   doub Y N 311 
T6J C5  C6   sing Y N 312 
T6J C6  C7   doub Y N 313 
T6J C7  C8   sing Y N 314 
T6J C3  C8   doub Y N 315 
T6J C8  N1   sing Y N 316 
T6J N1  C2   sing Y N 317 
T6J N1  H9   sing N N 318 
T6J C4  H5   sing N N 319 
T6J C5  H6   sing N N 320 
T6J C6  H7   sing N N 321 
T6J C7  H8   sing N N 322 
T6J C   H1   sing N N 323 
T6J C   H    sing N N 324 
T6J C   H2   sing N N 325 
T6J C1  H4   sing N N 326 
T6J C1  H3   sing N N 327 
THR N   CA   sing N N 328 
THR N   H    sing N N 329 
THR N   H2   sing N N 330 
THR CA  C    sing N N 331 
THR CA  CB   sing N N 332 
THR CA  HA   sing N N 333 
THR C   O    doub N N 334 
THR C   OXT  sing N N 335 
THR CB  OG1  sing N N 336 
THR CB  CG2  sing N N 337 
THR CB  HB   sing N N 338 
THR OG1 HG1  sing N N 339 
THR CG2 HG21 sing N N 340 
THR CG2 HG22 sing N N 341 
THR CG2 HG23 sing N N 342 
THR OXT HXT  sing N N 343 
TRP N   CA   sing N N 344 
TRP N   H    sing N N 345 
TRP N   H2   sing N N 346 
TRP CA  C    sing N N 347 
TRP CA  CB   sing N N 348 
TRP CA  HA   sing N N 349 
TRP C   O    doub N N 350 
TRP C   OXT  sing N N 351 
TRP CB  CG   sing N N 352 
TRP CB  HB2  sing N N 353 
TRP CB  HB3  sing N N 354 
TRP CG  CD1  doub Y N 355 
TRP CG  CD2  sing Y N 356 
TRP CD1 NE1  sing Y N 357 
TRP CD1 HD1  sing N N 358 
TRP CD2 CE2  doub Y N 359 
TRP CD2 CE3  sing Y N 360 
TRP NE1 CE2  sing Y N 361 
TRP NE1 HE1  sing N N 362 
TRP CE2 CZ2  sing Y N 363 
TRP CE3 CZ3  doub Y N 364 
TRP CE3 HE3  sing N N 365 
TRP CZ2 CH2  doub Y N 366 
TRP CZ2 HZ2  sing N N 367 
TRP CZ3 CH2  sing Y N 368 
TRP CZ3 HZ3  sing N N 369 
TRP CH2 HH2  sing N N 370 
TRP OXT HXT  sing N N 371 
TYR N   CA   sing N N 372 
TYR N   H    sing N N 373 
TYR N   H2   sing N N 374 
TYR CA  C    sing N N 375 
TYR CA  CB   sing N N 376 
TYR CA  HA   sing N N 377 
TYR C   O    doub N N 378 
TYR C   OXT  sing N N 379 
TYR CB  CG   sing N N 380 
TYR CB  HB2  sing N N 381 
TYR CB  HB3  sing N N 382 
TYR CG  CD1  doub Y N 383 
TYR CG  CD2  sing Y N 384 
TYR CD1 CE1  sing Y N 385 
TYR CD1 HD1  sing N N 386 
TYR CD2 CE2  doub Y N 387 
TYR CD2 HD2  sing N N 388 
TYR CE1 CZ   doub Y N 389 
TYR CE1 HE1  sing N N 390 
TYR CE2 CZ   sing Y N 391 
TYR CE2 HE2  sing N N 392 
TYR CZ  OH   sing N N 393 
TYR OH  HH   sing N N 394 
TYR OXT HXT  sing N N 395 
VAL N   CA   sing N N 396 
VAL N   H    sing N N 397 
VAL N   H2   sing N N 398 
VAL CA  C    sing N N 399 
VAL CA  CB   sing N N 400 
VAL CA  HA   sing N N 401 
VAL C   O    doub N N 402 
VAL C   OXT  sing N N 403 
VAL CB  CG1  sing N N 404 
VAL CB  CG2  sing N N 405 
VAL CB  HB   sing N N 406 
VAL CG1 HG11 sing N N 407 
VAL CG1 HG12 sing N N 408 
VAL CG1 HG13 sing N N 409 
VAL CG2 HG21 sing N N 410 
VAL CG2 HG22 sing N N 411 
VAL CG2 HG23 sing N N 412 
VAL OXT HXT  sing N N 413 
# 
_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                    7HMS 
_atom_sites.fract_transf_matrix[1][1]   0.010478 
_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]   0.010478 
_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]   0.021807 
_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   ? -13.421 -12.421 -9.954  1.00 46.27 ? 8   HIS B N   1 
ATOM   2    C CA  . HIS A 1 2   ? -12.883 -13.228 -11.108 1.00 43.02 ? 8   HIS B CA  1 
ATOM   3    C C   . HIS A 1 2   ? -11.723 -12.473 -11.771 1.00 42.03 ? 8   HIS B C   1 
ATOM   4    O O   . HIS A 1 2   ? -11.518 -11.278 -11.438 1.00 42.70 ? 8   HIS B O   1 
ATOM   5    C CB  . HIS A 1 2   ? -14.000 -13.549 -12.123 1.00 37.11 ? 8   HIS B CB  1 
ATOM   6    C CG  . HIS A 1 2   ? -14.561 -12.349 -12.813 1.00 34.81 ? 8   HIS B CG  1 
ATOM   7    N ND1 . HIS A 1 2   ? -13.959 -11.788 -13.929 1.00 34.03 ? 8   HIS B ND1 1 
ATOM   8    C CD2 . HIS A 1 2   ? -15.659 -11.601 -12.562 1.00 31.82 ? 8   HIS B CD2 1 
ATOM   9    C CE1 . HIS A 1 2   ? -14.661 -10.738 -14.326 1.00 33.88 ? 8   HIS B CE1 1 
ATOM   10   N NE2 . HIS A 1 2   ? -15.701 -10.583 -13.489 1.00 29.82 ? 8   HIS B NE2 1 
ATOM   11   N N   . HIS A 1 3   ? -11.036 -13.126 -12.712 1.00 38.10 ? 9   HIS B N   1 
ATOM   12   C CA  . HIS A 1 3   ? -9.865  -12.579 -13.450 1.00 38.18 ? 9   HIS B CA  1 
ATOM   13   C C   . HIS A 1 3   ? -10.076 -12.699 -14.968 1.00 33.15 ? 9   HIS B C   1 
ATOM   14   O O   . HIS A 1 3   ? -9.082  -12.925 -15.695 1.00 33.84 ? 9   HIS B O   1 
ATOM   15   C CB  . HIS A 1 3   ? -8.596  -13.253 -12.895 1.00 45.66 ? 9   HIS B CB  1 
ATOM   16   C CG  . HIS A 1 3   ? -8.498  -13.089 -11.411 1.00 54.15 ? 9   HIS B CG  1 
ATOM   17   N ND1 . HIS A 1 3   ? -8.125  -11.887 -10.820 1.00 56.22 ? 9   HIS B ND1 1 
ATOM   18   C CD2 . HIS A 1 3   ? -8.785  -13.934 -10.394 1.00 59.60 ? 9   HIS B CD2 1 
ATOM   19   C CE1 . HIS A 1 3   ? -8.158  -12.010 -9.507  1.00 58.50 ? 9   HIS B CE1 1 
ATOM   20   N NE2 . HIS A 1 3   ? -8.550  -13.261 -9.219  1.00 61.98 ? 9   HIS B NE2 1 
ATOM   21   N N   . HIS A 1 4   ? -11.312 -12.478 -15.451 1.00 27.78 ? 10  HIS B N   1 
ATOM   22   C CA  . HIS A 1 4   ? -11.707 -12.686 -16.874 1.00 23.55 ? 10  HIS B CA  1 
ATOM   23   C C   . HIS A 1 4   ? -11.659 -11.354 -17.628 1.00 24.30 ? 10  HIS B C   1 
ATOM   24   O O   . HIS A 1 4   ? -11.815 -11.357 -18.868 1.00 21.97 ? 10  HIS B O   1 
ATOM   25   C CB  . HIS A 1 4   ? -13.114 -13.311 -16.993 1.00 23.83 ? 10  HIS B CB  1 
ATOM   26   C CG  . HIS A 1 4   ? -13.247 -14.680 -16.424 1.00 25.69 ? 10  HIS B CG  1 
ATOM   27   N ND1 . HIS A 1 4   ? -12.340 -15.700 -16.680 1.00 24.70 ? 10  HIS B ND1 1 
ATOM   28   C CD2 . HIS A 1 4   ? -14.194 -15.210 -15.619 1.00 25.65 ? 10  HIS B CD2 1 
ATOM   29   C CE1 . HIS A 1 4   ? -12.735 -16.794 -16.056 1.00 28.47 ? 10  HIS B CE1 1 
ATOM   30   N NE2 . HIS A 1 4   ? -13.863 -16.515 -15.409 1.00 29.19 ? 10  HIS B NE2 1 
ATOM   31   N N   . HIS A 1 5   ? -11.437 -10.240 -16.927 1.00 25.89 ? 11  HIS B N   1 
ATOM   32   C CA  . HIS A 1 5   ? -11.586 -8.874  -17.489 1.00 26.03 ? 11  HIS B CA  1 
ATOM   33   C C   . HIS A 1 5   ? -10.716 -8.675  -18.735 1.00 24.42 ? 11  HIS B C   1 
ATOM   34   O O   . HIS A 1 5   ? -11.170 -7.983  -19.655 1.00 26.15 ? 11  HIS B O   1 
ATOM   35   C CB  . HIS A 1 5   ? -11.292 -7.803  -16.419 1.00 31.87 ? 11  HIS B CB  1 
ATOM   36   C CG  . HIS A 1 5   ? -12.153 -7.947  -15.217 1.00 36.32 ? 11  HIS B CG  1 
ATOM   37   N ND1 . HIS A 1 5   ? -11.790 -8.750  -14.140 1.00 41.97 ? 11  HIS B ND1 1 
ATOM   38   C CD2 . HIS A 1 5   ? -13.364 -7.421  -14.916 1.00 38.98 ? 11  HIS B CD2 1 
ATOM   39   C CE1 . HIS A 1 5   ? -12.738 -8.698  -13.218 1.00 42.77 ? 11  HIS B CE1 1 
ATOM   40   N NE2 . HIS A 1 5   ? -13.723 -7.894  -13.675 1.00 40.08 ? 11  HIS B NE2 1 
ATOM   41   N N   . HIS A 1 6   ? -9.526  -9.288  -18.799 1.00 23.45 ? 12  HIS B N   1 
ATOM   42   C CA  . HIS A 1 6   ? -8.560  -9.133  -19.918 1.00 24.86 ? 12  HIS B CA  1 
ATOM   43   C C   . HIS A 1 6   ? -9.070  -9.748  -21.225 1.00 23.45 ? 12  HIS B C   1 
ATOM   44   O O   . HIS A 1 6   ? -8.468  -9.500  -22.271 1.00 25.96 ? 12  HIS B O   1 
ATOM   45   C CB  . HIS A 1 6   ? -7.193  -9.698  -19.517 1.00 29.43 ? 12  HIS B CB  1 
ATOM   46   C CG  . HIS A 1 6   ? -7.190  -11.138 -19.148 1.00 26.96 ? 12  HIS B CG  1 
ATOM   47   N ND1 . HIS A 1 6   ? -6.600  -12.109 -19.950 1.00 34.51 ? 12  HIS B ND1 1 
ATOM   48   C CD2 . HIS A 1 6   ? -7.630  -11.776 -18.046 1.00 29.46 ? 12  HIS B CD2 1 
ATOM   49   C CE1 . HIS A 1 6   ? -6.697  -13.278 -19.364 1.00 28.51 ? 12  HIS B CE1 1 
ATOM   50   N NE2 . HIS A 1 6   ? -7.338  -13.112 -18.202 1.00 33.94 ? 12  HIS B NE2 1 
ATOM   51   N N   . HIS A 1 7   ? -10.126 -10.568 -21.196 1.00 20.24 ? 13  HIS B N   1 
ATOM   52   C CA  . HIS A 1 7   ? -10.791 -11.102 -22.418 1.00 17.64 ? 13  HIS B CA  1 
ATOM   53   C C   . HIS A 1 7   ? -11.912 -10.175 -22.873 1.00 15.92 ? 13  HIS B C   1 
ATOM   54   O O   . HIS A 1 7   ? -12.714 -10.627 -23.694 1.00 15.17 ? 13  HIS B O   1 
ATOM   55   C CB  . HIS A 1 7   ? -11.338 -12.492 -22.156 1.00 16.89 ? 13  HIS B CB  1 
ATOM   56   C CG  . HIS A 1 7   ? -10.272 -13.476 -21.782 1.00 17.83 ? 13  HIS B CG  1 
ATOM   57   N ND1 . HIS A 1 7   ? -9.236  -13.794 -22.646 1.00 19.05 ? 13  HIS B ND1 1 
ATOM   58   C CD2 . HIS A 1 7   ? -10.109 -14.170 -20.650 1.00 19.14 ? 13  HIS B CD2 1 
ATOM   59   C CE1 . HIS A 1 7   ? -8.459  -14.661 -22.031 1.00 18.58 ? 13  HIS B CE1 1 
ATOM   60   N NE2 . HIS A 1 7   ? -8.945  -14.904 -20.821 1.00 20.29 ? 13  HIS B NE2 1 
ATOM   61   N N   . MET A 1 8   ? -11.966 -8.950  -22.364 1.00 15.87 ? 14  MET B N   1 
ATOM   62   C CA  . MET A 1 8   ? -13.012 -7.972  -22.744 1.00 18.07 ? 14  MET B CA  1 
ATOM   63   C C   . MET A 1 8   ? -13.098 -7.846  -24.259 1.00 17.98 ? 14  MET B C   1 
ATOM   64   O O   . MET A 1 8   ? -12.040 -7.699  -24.978 1.00 20.56 ? 14  MET B O   1 
ATOM   65   C CB  . MET A 1 8   ? -12.696 -6.594  -22.158 1.00 21.80 ? 14  MET B CB  1 
ATOM   66   C CG  . MET A 1 8   ? -13.744 -5.526  -22.442 1.00 27.44 ? 14  MET B CG  1 
ATOM   67   S SD  . MET A 1 8   ? -15.288 -5.759  -21.499 1.00 38.20 ? 14  MET B SD  1 
ATOM   68   C CE  . MET A 1 8   ? -14.786 -5.118  -19.909 1.00 32.63 ? 14  MET B CE  1 
ATOM   69   N N   . VAL A 1 9   ? -14.316 -7.810  -24.780 1.00 15.91 ? 15  VAL B N   1 
ATOM   70   C CA  . VAL A 1 9   ? -14.618 -7.605  -26.218 1.00 16.69 ? 15  VAL B CA  1 
ATOM   71   C C   . VAL A 1 9   ? -15.600 -6.431  -26.308 1.00 16.88 ? 15  VAL B C   1 
ATOM   72   O O   . VAL A 1 9   ? -16.474 -6.272  -25.423 1.00 16.60 ? 15  VAL B O   1 
ATOM   73   C CB  . VAL A 1 9   ? -15.149 -8.861  -26.922 1.00 17.74 ? 15  VAL B CB  1 
ATOM   74   C CG1 . VAL A 1 9   ? -14.053 -9.892  -27.094 1.00 20.89 ? 15  VAL B CG1 1 
ATOM   75   C CG2 . VAL A 1 9   ? -16.335 -9.505  -26.235 1.00 18.39 ? 15  VAL B CG2 1 
ATOM   76   N N   . HIS A 1 10  ? -15.523 -5.655  -27.379 1.00 16.77 ? 16  HIS B N   1 
ATOM   77   C CA  . HIS A 1 10  ? -16.407 -4.496  -27.628 1.00 16.72 ? 16  HIS B CA  1 
ATOM   78   C C   . HIS A 1 10  ? -17.613 -4.990  -28.405 1.00 17.69 ? 16  HIS B C   1 
ATOM   79   O O   . HIS A 1 10  ? -17.489 -5.382  -29.555 1.00 20.62 ? 16  HIS B O   1 
ATOM   80   C CB  . HIS A 1 10  ? -15.663 -3.412  -28.401 1.00 17.69 ? 16  HIS B CB  1 
ATOM   81   C CG  . HIS A 1 10  ? -16.438 -2.154  -28.598 1.00 22.46 ? 16  HIS B CG  1 
ATOM   82   N ND1 . HIS A 1 10  ? -16.523 -1.193  -27.625 1.00 25.49 ? 16  HIS B ND1 1 
ATOM   83   C CD2 . HIS A 1 10  ? -17.153 -1.714  -29.651 1.00 25.73 ? 16  HIS B CD2 1 
ATOM   84   C CE1 . HIS A 1 10  ? -17.265 -0.188  -28.073 1.00 23.46 ? 16  HIS B CE1 1 
ATOM   85   N NE2 . HIS A 1 10  ? -17.667 -0.495  -29.314 1.00 28.86 ? 16  HIS B NE2 1 
ATOM   86   N N   . ILE A 1 11  ? -18.735 -5.114  -27.719 1.00 14.09 ? 17  ILE B N   1 
ATOM   87   C CA  . ILE A 1 11  ? -19.980 -5.631  -28.328 1.00 13.87 ? 17  ILE B CA  1 
ATOM   88   C C   . ILE A 1 11  ? -20.790 -4.442  -28.885 1.00 13.86 ? 17  ILE B C   1 
ATOM   89   O O   . ILE A 1 11  ? -20.857 -3.422  -28.210 1.00 13.75 ? 17  ILE B O   1 
ATOM   90   C CB  . ILE A 1 11  ? -20.795 -6.448  -27.300 1.00 13.69 ? 17  ILE B CB  1 
ATOM   91   C CG1 . ILE A 1 11  ? -20.014 -7.671  -26.797 1.00 14.76 ? 17  ILE B CG1 1 
ATOM   92   C CG2 . ILE A 1 11  ? -22.138 -6.845  -27.904 1.00 13.95 ? 17  ILE B CG2 1 
ATOM   93   C CD1 . ILE A 1 11  ? -19.425 -8.566  -27.865 1.00 15.25 ? 17  ILE B CD1 1 
ATOM   94   N N   . THR A 1 12  ? -21.398 -4.645  -30.027 1.00 13.20 ? 18  THR B N   1 
ATOM   95   C CA  . THR A 1 12  ? -22.375 -3.660  -30.584 1.00 14.07 ? 18  THR B CA  1 
ATOM   96   C C   . THR A 1 12  ? -23.635 -4.418  -30.953 1.00 14.26 ? 18  THR B C   1 
ATOM   97   O O   . THR A 1 12  ? -23.591 -5.630  -31.219 1.00 15.73 ? 18  THR B O   1 
ATOM   98   C CB  . THR A 1 12  ? -21.795 -2.878  -31.773 1.00 16.02 ? 18  THR B CB  1 
ATOM   99   O OG1 . THR A 1 12  ? -21.433 -3.804  -32.787 1.00 18.28 ? 18  THR B OG1 1 
ATOM   100  C CG2 . THR A 1 12  ? -20.643 -1.957  -31.399 1.00 17.94 ? 18  THR B CG2 1 
ATOM   101  N N   . LEU A 1 13  ? -24.779 -3.711  -30.923 1.00 12.70 ? 19  LEU B N   1 
ATOM   102  C CA  . LEU A 1 13  ? -26.086 -4.358  -31.203 1.00 12.23 ? 19  LEU B CA  1 
ATOM   103  C C   . LEU A 1 13  ? -26.368 -4.360  -32.695 1.00 12.22 ? 19  LEU B C   1 
ATOM   104  O O   . LEU A 1 13  ? -26.057 -3.332  -33.367 1.00 14.74 ? 19  LEU B O   1 
ATOM   105  C CB  . LEU A 1 13  ? -27.148 -3.592  -30.443 1.00 12.36 ? 19  LEU B CB  1 
ATOM   106  C CG  . LEU A 1 13  ? -26.948 -3.670  -28.943 1.00 11.98 ? 19  LEU B CG  1 
ATOM   107  C CD1 . LEU A 1 13  ? -27.938 -2.779  -28.193 1.00 14.55 ? 19  LEU B CD1 1 
ATOM   108  C CD2 . LEU A 1 13  ? -26.975 -5.121  -28.432 1.00 14.50 ? 19  LEU B CD2 1 
ATOM   109  N N   . ASP A 1 14  ? -26.964 -5.385  -33.205 1.00 11.18 ? 20  ASP B N   1 
ATOM   110  C CA  . ASP A 1 14  ? -27.357 -5.541  -34.622 1.00 12.12 ? 20  ASP B CA  1 
ATOM   111  C C   . ASP A 1 14  ? -28.864 -5.177  -34.781 1.00 12.58 ? 20  ASP B C   1 
ATOM   112  O O   . ASP A 1 14  ? -29.735 -5.990  -34.498 1.00 12.04 ? 20  ASP B O   1 
ATOM   113  C CB  . ASP A 1 14  ? -27.075 -6.958  -35.121 1.00 12.61 ? 20  ASP B CB  1 
ATOM   114  C CG  . ASP A 1 14  ? -27.431 -7.241  -36.566 1.00 16.14 ? 20  ASP B CG  1 
ATOM   115  O OD1 . ASP A 1 14  ? -28.081 -6.358  -37.170 1.00 16.01 ? 20  ASP B OD1 1 
ATOM   116  O OD2 . ASP A 1 14  ? -27.147 -8.350  -37.080 1.00 15.88 ? 20  ASP B OD2 1 
ATOM   117  N N   A ARG A 1 15  ? -29.106 -3.932  -35.237 0.25 14.34 ? 21  ARG B N   1 
ATOM   118  N N   B ARG A 1 15  ? -29.122 -3.947  -35.251 0.25 14.13 ? 21  ARG B N   1 
ATOM   119  C CA  A ARG A 1 15  ? -30.438 -3.325  -35.546 0.25 15.69 ? 21  ARG B CA  1 
ATOM   120  C CA  B ARG A 1 15  ? -30.488 -3.375  -35.419 0.25 15.19 ? 21  ARG B CA  1 
ATOM   121  C C   A ARG A 1 15  ? -31.348 -4.284  -36.301 0.25 14.88 ? 21  ARG B C   1 
ATOM   122  C C   B ARG A 1 15  ? -31.359 -4.265  -36.311 0.25 14.24 ? 21  ARG B C   1 
ATOM   123  O O   A ARG A 1 15  ? -32.578 -4.272  -36.064 0.25 15.62 ? 21  ARG B O   1 
ATOM   124  O O   B ARG A 1 15  ? -32.588 -4.226  -36.140 0.25 13.24 ? 21  ARG B O   1 
ATOM   125  C CB  A ARG A 1 15  ? -30.290 -2.111  -36.478 0.25 17.70 ? 21  ARG B CB  1 
ATOM   126  C CB  B ARG A 1 15  ? -30.423 -1.963  -36.030 0.25 17.92 ? 21  ARG B CB  1 
ATOM   127  C CG  A ARG A 1 15  ? -29.247 -1.103  -36.034 0.25 20.08 ? 21  ARG B CG  1 
ATOM   128  C CG  B ARG A 1 15  ? -29.756 -0.905  -35.164 0.25 19.79 ? 21  ARG B CG  1 
ATOM   129  C CD  A ARG A 1 15  ? -29.305 0.203   -36.809 0.25 20.15 ? 21  ARG B CD  1 
ATOM   130  C CD  B ARG A 1 15  ? -28.378 -0.489  -35.668 0.25 23.24 ? 21  ARG B CD  1 
ATOM   131  N NE  A ARG A 1 15  ? -28.742 1.249   -35.975 0.25 20.16 ? 21  ARG B NE  1 
ATOM   132  N NE  B ARG A 1 15  ? -28.370 0.567   -36.683 0.25 24.50 ? 21  ARG B NE  1 
ATOM   133  C CZ  A ARG A 1 15  ? -29.411 1.811   -34.987 0.25 19.41 ? 21  ARG B CZ  1 
ATOM   134  C CZ  B ARG A 1 15  ? -27.932 0.430   -37.937 0.25 27.24 ? 21  ARG B CZ  1 
ATOM   135  N NH1 A ARG A 1 15  ? -30.659 1.448   -34.773 0.25 21.18 ? 21  ARG B NH1 1 
ATOM   136  N NH1 B ARG A 1 15  ? -27.450 -0.723  -38.370 0.25 27.78 ? 21  ARG B NH1 1 
ATOM   137  N NH2 A ARG A 1 15  ? -28.850 2.723   -34.222 0.25 21.05 ? 21  ARG B NH2 1 
ATOM   138  N NH2 B ARG A 1 15  ? -27.975 1.458   -38.764 0.25 29.20 ? 21  ARG B NH2 1 
ATOM   139  N N   . ASN A 1 16  ? -30.773 -5.012  -37.250 1.00 14.08 ? 22  ASN B N   1 
ATOM   140  C CA  . ASN A 1 16  ? -31.556 -5.836  -38.174 1.00 15.14 ? 22  ASN B CA  1 
ATOM   141  C C   . ASN A 1 16  ? -32.228 -7.006  -37.468 1.00 13.53 ? 22  ASN B C   1 
ATOM   142  O O   . ASN A 1 16  ? -33.196 -7.520  -37.970 1.00 13.86 ? 22  ASN B O   1 
ATOM   143  C CB  . ASN A 1 16  ? -30.702 -6.269  -39.372 1.00 19.27 ? 22  ASN B CB  1 
ATOM   144  C CG  . ASN A 1 16  ? -30.426 -5.120  -40.327 1.00 25.68 ? 22  ASN B CG  1 
ATOM   145  O OD1 . ASN A 1 16  ? -31.143 -4.117  -40.355 1.00 33.25 ? 22  ASN B OD1 1 
ATOM   146  N ND2 . ASN A 1 16  ? -29.343 -5.239  -41.074 1.00 36.17 ? 22  ASN B ND2 1 
ATOM   147  N N   . THR A 1 17  ? -31.700 -7.423  -36.291 1.00 11.91 ? 23  THR B N   1 
ATOM   148  C CA  . THR A 1 17  ? -32.247 -8.540  -35.516 1.00 11.44 ? 23  THR B CA  1 
ATOM   149  C C   . THR A 1 17  ? -33.279 -8.075  -34.505 1.00 10.80 ? 23  THR B C   1 
ATOM   150  O O   . THR A 1 17  ? -33.945 -8.922  -33.889 1.00 11.29 ? 23  THR B O   1 
ATOM   151  C CB  . THR A 1 17  ? -31.149 -9.338  -34.787 1.00 11.87 ? 23  THR B CB  1 
ATOM   152  O OG1 . THR A 1 17  ? -30.585 -8.558  -33.744 1.00 12.01 ? 23  THR B OG1 1 
ATOM   153  C CG2 . THR A 1 17  ? -30.107 -9.868  -35.759 1.00 12.03 ? 23  THR B CG2 1 
ATOM   154  N N   . ALA A 1 18  ? -33.368 -6.778  -34.314 1.00 11.02 ? 24  ALA B N   1 
ATOM   155  C CA  . ALA A 1 18  ? -34.162 -6.231  -33.187 1.00 11.06 ? 24  ALA B CA  1 
ATOM   156  C C   . ALA A 1 18  ? -35.657 -6.429  -33.412 1.00 11.00 ? 24  ALA B C   1 
ATOM   157  O O   . ALA A 1 18  ? -36.170 -6.149  -34.536 1.00 12.43 ? 24  ALA B O   1 
ATOM   158  C CB  . ALA A 1 18  ? -33.856 -4.787  -32.996 1.00 11.50 ? 24  ALA B CB  1 
ATOM   159  N N   . ASN A 1 19  ? -36.404 -6.749  -32.390 1.00 11.02 ? 25  ASN B N   1 
ATOM   160  C CA  . ASN A 1 19  ? -37.869 -6.555  -32.407 1.00 11.27 ? 25  ASN B CA  1 
ATOM   161  C C   . ASN A 1 19  ? -38.144 -5.112  -32.857 1.00 11.03 ? 25  ASN B C   1 
ATOM   162  O O   . ASN A 1 19  ? -37.433 -4.177  -32.512 1.00 10.81 ? 25  ASN B O   1 
ATOM   163  C CB  . ASN A 1 19  ? -38.403 -6.880  -31.021 1.00 11.62 ? 25  ASN B CB  1 
ATOM   164  C CG  . ASN A 1 19  ? -39.880 -6.623  -30.933 1.00 13.01 ? 25  ASN B CG  1 
ATOM   165  O OD1 . ASN A 1 19  ? -40.307 -5.512  -30.654 1.00 13.58 ? 25  ASN B OD1 1 
ATOM   166  N ND2 . ASN A 1 19  ? -40.652 -7.616  -31.250 1.00 16.80 ? 25  ASN B ND2 1 
ATOM   167  N N   . SER A 1 20  ? -39.220 -4.954  -33.615 1.00 11.25 ? 26  SER B N   1 
ATOM   168  C CA  . SER A 1 20  ? -39.600 -3.667  -34.252 1.00 11.57 ? 26  SER B CA  1 
ATOM   169  C C   . SER A 1 20  ? -39.983 -2.576  -33.260 1.00 11.64 ? 26  SER B C   1 
ATOM   170  O O   . SER A 1 20  ? -40.071 -1.415  -33.724 1.00 12.65 ? 26  SER B O   1 
ATOM   171  C CB  . SER A 1 20  ? -40.717 -3.869  -35.243 1.00 12.95 ? 26  SER B CB  1 
ATOM   172  O OG  . SER A 1 20  ? -41.848 -4.374  -34.577 1.00 15.41 ? 26  SER B OG  1 
ATOM   173  N N   . TRP A 1 21  ? -40.224 -2.900  -31.974 0.36 11.73 ? 27  TRP B N   1 
ATOM   174  C CA  . TRP A 1 21  ? -40.509 -1.938  -30.862 0.36 12.38 ? 27  TRP B CA  1 
ATOM   175  C C   . TRP A 1 21  ? -39.209 -1.301  -30.331 0.36 11.68 ? 27  TRP B C   1 
ATOM   176  O O   . TRP A 1 21  ? -39.303 -0.298  -29.640 0.36 11.75 ? 27  TRP B O   1 
ATOM   177  C CB  . TRP A 1 21  ? -41.238 -2.597  -29.672 0.36 13.44 ? 27  TRP B CB  1 
ATOM   178  C CG  . TRP A 1 21  ? -42.698 -2.949  -29.786 0.36 15.05 ? 27  TRP B CG  1 
ATOM   179  C CD1 . TRP A 1 21  ? -43.227 -4.096  -30.299 0.36 15.85 ? 27  TRP B CD1 1 
ATOM   180  C CD2 . TRP A 1 21  ? -43.818 -2.217  -29.240 0.36 15.89 ? 27  TRP B CD2 1 
ATOM   181  N NE1 . TRP A 1 21  ? -44.590 -4.104  -30.158 0.36 16.36 ? 27  TRP B NE1 1 
ATOM   182  C CE2 . TRP A 1 21  ? -44.985 -2.968  -29.510 0.36 16.25 ? 27  TRP B CE2 1 
ATOM   183  C CE3 . TRP A 1 21  ? -43.953 -0.999  -28.563 0.36 15.87 ? 27  TRP B CE3 1 
ATOM   184  C CZ2 . TRP A 1 21  ? -46.261 -2.536  -29.136 0.36 16.34 ? 27  TRP B CZ2 1 
ATOM   185  C CZ3 . TRP A 1 21  ? -45.214 -0.570  -28.197 0.36 16.42 ? 27  TRP B CZ3 1 
ATOM   186  C CH2 . TRP A 1 21  ? -46.348 -1.336  -28.469 0.36 16.37 ? 27  TRP B CH2 1 
ATOM   187  N N   . LEU A 1 22  ? -38.032 -1.898  -30.572 1.00 10.95 ? 28  LEU B N   1 
ATOM   188  C CA  . LEU A 1 22  ? -36.801 -1.498  -29.853 1.00 11.12 ? 28  LEU B CA  1 
ATOM   189  C C   . LEU A 1 22  ? -36.185 -0.268  -30.510 1.00 10.86 ? 28  LEU B C   1 
ATOM   190  O O   . LEU A 1 22  ? -36.190 -0.111  -31.711 1.00 11.86 ? 28  LEU B O   1 
ATOM   191  C CB  . LEU A 1 22  ? -35.783 -2.637  -29.841 1.00 10.52 ? 28  LEU B CB  1 
ATOM   192  C CG  . LEU A 1 22  ? -36.241 -3.892  -29.101 1.00 11.23 ? 28  LEU B CG  1 
ATOM   193  C CD1 . LEU A 1 22  ? -35.153 -4.955  -29.091 1.00 11.29 ? 28  LEU B CD1 1 
ATOM   194  C CD2 . LEU A 1 22  ? -36.641 -3.609  -27.698 1.00 12.09 ? 28  LEU B CD2 1 
ATOM   195  N N   . ILE A 1 23  ? -35.554 0.507   -29.668 1.00 10.89 ? 29  ILE B N   1 
ATOM   196  C CA  . ILE A 1 23  ? -34.745 1.695   -30.052 1.00 12.59 ? 29  ILE B CA  1 
ATOM   197  C C   . ILE A 1 23  ? -33.300 1.448   -29.625 1.00 12.37 ? 29  ILE B C   1 
ATOM   198  O O   . ILE A 1 23  ? -33.026 1.374   -28.411 1.00 12.66 ? 29  ILE B O   1 
ATOM   199  C CB  . ILE A 1 23  ? -35.282 2.959   -29.432 1.00 12.58 ? 29  ILE B CB  1 
ATOM   200  C CG1 . ILE A 1 23  ? -36.756 3.228   -29.820 1.00 13.27 ? 29  ILE B CG1 1 
ATOM   201  C CG2 . ILE A 1 23  ? -34.403 4.161   -29.849 1.00 14.59 ? 29  ILE B CG2 1 
ATOM   202  C CD1 . ILE A 1 23  ? -37.392 4.347   -29.111 1.00 14.88 ? 29  ILE B CD1 1 
ATOM   203  N N   . ILE A 1 24  ? -32.465 1.258   -30.630 1.00 14.40 ? 30  ILE B N   1 
ATOM   204  C CA  . ILE A 1 24  ? -30.992 1.077   -30.440 1.00 14.58 ? 30  ILE B CA  1 
ATOM   205  C C   . ILE A 1 24  ? -30.300 2.415   -30.612 1.00 15.18 ? 30  ILE B C   1 
ATOM   206  O O   . ILE A 1 24  ? -30.580 3.149   -31.628 1.00 17.36 ? 30  ILE B O   1 
ATOM   207  C CB  . ILE A 1 24  ? -30.476 0.014   -31.382 1.00 15.92 ? 30  ILE B CB  1 
ATOM   208  C CG1 . ILE A 1 24  ? -31.030 -1.334  -30.970 1.00 18.87 ? 30  ILE B CG1 1 
ATOM   209  C CG2 . ILE A 1 24  ? -28.945 -0.049  -31.367 1.00 15.61 ? 30  ILE B CG2 1 
ATOM   210  C CD1 . ILE A 1 24  ? -30.785 -2.344  -31.897 1.00 21.54 ? 30  ILE B CD1 1 
ATOM   211  N N   . SER A 1 25  ? -29.469 2.831   -29.702 1.00 14.77 ? 31  SER B N   1 
ATOM   212  C CA  . SER A 1 25  ? -28.766 4.119   -29.775 1.00 15.71 ? 31  SER B CA  1 
ATOM   213  C C   . SER A 1 25  ? -27.822 4.186   -30.987 1.00 14.09 ? 31  SER B C   1 
ATOM   214  O O   . SER A 1 25  ? -27.455 3.205   -31.571 1.00 14.42 ? 31  SER B O   1 
ATOM   215  C CB  . SER A 1 25  ? -28.032 4.350   -28.525 1.00 15.91 ? 31  SER B CB  1 
ATOM   216  O OG  . SER A 1 25  ? -27.039 3.324   -28.335 1.00 15.83 ? 31  SER B OG  1 
ATOM   217  N N   . LYS A 1 26  ? -27.479 5.425   -31.363 1.00 17.47 ? 32  LYS B N   1 
ATOM   218  C CA  . LYS A 1 26  ? -26.576 5.678   -32.515 1.00 17.83 ? 32  LYS B CA  1 
ATOM   219  C C   . LYS A 1 26  ? -25.262 4.900   -32.378 1.00 15.40 ? 32  LYS B C   1 
ATOM   220  O O   . LYS A 1 26  ? -24.824 4.380   -33.392 1.00 18.00 ? 32  LYS B O   1 
ATOM   221  C CB  . LYS A 1 26  ? -26.279 7.178   -32.607 1.00 21.79 ? 32  LYS B CB  1 
ATOM   222  C CG  . LYS A 1 26  ? -25.320 7.574   -33.708 1.00 23.57 ? 32  LYS B CG  1 
ATOM   223  C CD  . LYS A 1 26  ? -25.442 9.035   -33.997 1.00 23.87 ? 32  LYS B CD  1 
ATOM   224  C CE  . LYS A 1 26  ? -25.383 9.845   -32.736 1.00 27.82 ? 32  LYS B CE  1 
ATOM   225  N NZ  . LYS A 1 26  ? -25.278 11.271  -33.099 1.00 28.14 ? 32  LYS B NZ  1 
ATOM   226  N N   . ASP A 1 27  ? -24.687 4.856   -31.178 1.00 16.32 ? 33  ASP B N   1 
ATOM   227  C CA  . ASP A 1 27  ? -23.405 4.126   -30.963 1.00 15.89 ? 33  ASP B CA  1 
ATOM   228  C C   . ASP A 1 27  ? -23.629 2.608   -30.933 1.00 13.73 ? 33  ASP B C   1 
ATOM   229  O O   . ASP A 1 27  ? -22.620 1.879   -30.798 1.00 15.14 ? 33  ASP B O   1 
ATOM   230  C CB  . ASP A 1 27  ? -22.660 4.608   -29.732 1.00 17.17 ? 33  ASP B CB  1 
ATOM   231  C CG  . ASP A 1 27  ? -23.336 4.376   -28.397 1.00 17.70 ? 33  ASP B CG  1 
ATOM   232  O OD1 . ASP A 1 27  ? -24.415 3.714   -28.380 1.00 17.64 ? 33  ASP B OD1 1 
ATOM   233  O OD2 . ASP A 1 27  ? -22.756 4.812   -27.396 1.00 20.41 ? 33  ASP B OD2 1 
ATOM   234  N N   . ARG A 1 28  ? -24.852 2.112   -31.023 1.00 13.29 ? 34  ARG B N   1 
ATOM   235  C CA  . ARG A 1 28  ? -25.184 0.669   -31.006 1.00 13.49 ? 34  ARG B CA  1 
ATOM   236  C C   . ARG A 1 28  ? -24.750 0.030   -29.682 1.00 11.27 ? 34  ARG B C   1 
ATOM   237  O O   . ARG A 1 28  ? -24.598 -1.220  -29.656 1.00 12.45 ? 34  ARG B O   1 
ATOM   238  C CB  . ARG A 1 28  ? -24.644 -0.021  -32.255 1.00 17.00 ? 34  ARG B CB  1 
ATOM   239  C CG  . ARG A 1 28  ? -25.275 0.567   -33.516 1.00 22.68 ? 34  ARG B CG  1 
ATOM   240  C CD  . ARG A 1 28  ? -24.823 -0.007  -34.825 1.00 29.98 ? 34  ARG B CD  1 
ATOM   241  N NE  . ARG A 1 28  ? -23.389 -0.157  -34.934 1.00 38.24 ? 34  ARG B NE  1 
ATOM   242  C CZ  . ARG A 1 28  ? -22.717 -1.308  -34.813 1.00 50.07 ? 34  ARG B CZ  1 
ATOM   243  N NH1 . ARG A 1 28  ? -23.342 -2.464  -34.581 1.00 50.31 ? 34  ARG B NH1 1 
ATOM   244  N NH2 . ARG A 1 28  ? -21.397 -1.294  -34.941 1.00 55.23 ? 34  ARG B NH2 1 
ATOM   245  N N   . ARG A 1 29  ? -24.733 0.766   -28.635 1.00 10.49 ? 35  ARG B N   1 
ATOM   246  C CA  . ARG A 1 29  ? -24.339 0.243   -27.308 1.00 12.19 ? 35  ARG B CA  1 
ATOM   247  C C   . ARG A 1 29  ? -25.473 0.216   -26.288 1.00 12.13 ? 35  ARG B C   1 
ATOM   248  O O   . ARG A 1 29  ? -25.277 -0.344  -25.195 1.00 13.43 ? 35  ARG B O   1 
ATOM   249  C CB  . ARG A 1 29  ? -23.159 1.038   -26.718 1.00 12.92 ? 35  ARG B CB  1 
ATOM   250  C CG  . ARG A 1 29  ? -21.906 0.962   -27.574 1.00 14.58 ? 35  ARG B CG  1 
ATOM   251  C CD  . ARG A 1 29  ? -21.071 -0.261  -27.328 1.00 15.81 ? 35  ARG B CD  1 
ATOM   252  N NE  . ARG A 1 29  ? -20.317 -0.090  -26.091 1.00 16.53 ? 35  ARG B NE  1 
ATOM   253  C CZ  . ARG A 1 29  ? -19.583 -1.039  -25.492 1.00 15.83 ? 35  ARG B CZ  1 
ATOM   254  N NH1 . ARG A 1 29  ? -19.488 -2.219  -26.029 1.00 16.05 ? 35  ARG B NH1 1 
ATOM   255  N NH2 . ARG A 1 29  ? -18.949 -0.763  -24.380 1.00 18.12 ? 35  ARG B NH2 1 
ATOM   256  N N   . GLN A 1 30  ? -26.623 0.801   -26.577 1.00 11.94 ? 36  GLN B N   1 
ATOM   257  C CA  . GLN A 1 30  ? -27.795 0.815   -25.689 1.00 12.64 ? 36  GLN B CA  1 
ATOM   258  C C   . GLN A 1 30  ? -29.035 0.416   -26.453 1.00 11.02 ? 36  GLN B C   1 
ATOM   259  O O   . GLN A 1 30  ? -29.173 0.684   -27.669 1.00 12.26 ? 36  GLN B O   1 
ATOM   260  C CB  . GLN A 1 30  ? -28.034 2.200   -25.084 1.00 14.91 ? 36  GLN B CB  1 
ATOM   261  C CG  . GLN A 1 30  ? -26.800 2.819   -24.488 1.00 17.24 ? 36  GLN B CG  1 
ATOM   262  C CD  . GLN A 1 30  ? -27.141 4.065   -23.700 1.00 20.51 ? 36  GLN B CD  1 
ATOM   263  O OE1 . GLN A 1 30  ? -28.306 4.313   -23.343 1.00 22.32 ? 36  GLN B OE1 1 
ATOM   264  N NE2 . GLN A 1 30  ? -26.136 4.884   -23.475 1.00 25.35 ? 36  GLN B NE2 1 
ATOM   265  N N   . VAL A 1 31  ? -29.986 -0.171  -25.725 1.00 10.91 ? 37  VAL B N   1 
ATOM   266  C CA  . VAL A 1 31  ? -31.293 -0.554  -26.317 1.00 10.93 ? 37  VAL B CA  1 
ATOM   267  C C   . VAL A 1 31  ? -32.376 -0.376  -25.261 1.00 11.50 ? 37  VAL B C   1 
ATOM   268  O O   . VAL A 1 31  ? -32.192 -0.745  -24.109 1.00 10.68 ? 37  VAL B O   1 
ATOM   269  C CB  . VAL A 1 31  ? -31.241 -1.961  -26.908 1.00 10.30 ? 37  VAL B CB  1 
ATOM   270  C CG1 . VAL A 1 31  ? -30.840 -3.048  -25.897 1.00 10.47 ? 37  VAL B CG1 1 
ATOM   271  C CG2 . VAL A 1 31  ? -32.567 -2.330  -27.541 1.00 10.95 ? 37  VAL B CG2 1 
ATOM   272  N N   . ARG A 1 32  ? -33.511 0.162   -25.681 1.00 11.36 ? 38  ARG B N   1 
ATOM   273  C CA  . ARG A 1 32  ? -34.674 0.263   -24.793 1.00 11.94 ? 38  ARG B CA  1 
ATOM   274  C C   . ARG A 1 32  ? -35.944 -0.017  -25.607 1.00 11.79 ? 38  ARG B C   1 
ATOM   275  O O   . ARG A 1 32  ? -35.974 0.034   -26.835 1.00 11.45 ? 38  ARG B O   1 
ATOM   276  C CB  . ARG A 1 32  ? -34.781 1.618   -24.113 1.00 14.11 ? 38  ARG B CB  1 
ATOM   277  C CG  . ARG A 1 32  ? -35.026 2.737   -25.097 1.00 16.05 ? 38  ARG B CG  1 
ATOM   278  C CD  . ARG A 1 32  ? -34.930 4.088   -24.394 1.00 19.34 ? 38  ARG B CD  1 
ATOM   279  N NE  . ARG A 1 32  ? -35.221 5.182   -25.307 1.00 24.18 ? 38  ARG B NE  1 
ATOM   280  C CZ  . ARG A 1 32  ? -36.423 5.684   -25.524 1.00 21.03 ? 38  ARG B CZ  1 
ATOM   281  N NH1 . ARG A 1 32  ? -37.500 5.184   -24.959 1.00 23.79 ? 38  ARG B NH1 1 
ATOM   282  N NH2 . ARG A 1 32  ? -36.535 6.705   -26.373 1.00 26.00 ? 38  ARG B NH2 1 
ATOM   283  N N   . MET A 1 33  ? -36.991 -0.301  -24.832 0.36 11.82 ? 39  MET B N   1 
ATOM   284  C CA  . MET A 1 33  ? -38.374 -0.453  -25.339 0.36 12.39 ? 39  MET B CA  1 
ATOM   285  C C   . MET A 1 33  ? -38.892 0.903   -25.810 0.36 12.16 ? 39  MET B C   1 
ATOM   286  O O   . MET A 1 33  ? -38.846 1.901   -25.070 0.36 11.57 ? 39  MET B O   1 
ATOM   287  C CB  . MET A 1 33  ? -39.327 -0.983  -24.270 0.36 12.58 ? 39  MET B CB  1 
ATOM   288  C CG  . MET A 1 33  ? -40.761 -1.071  -24.771 0.36 12.84 ? 39  MET B CG  1 
ATOM   289  S SD  . MET A 1 33  ? -40.961 -2.374  -26.022 0.36 14.03 ? 39  MET B SD  1 
ATOM   290  C CE  . MET A 1 33  ? -40.907 -3.761  -24.887 0.36 15.37 ? 39  MET B CE  1 
ATOM   291  N N   . GLY A 1 34  ? -39.359 0.940   -27.038 1.00 12.99 ? 40  GLY B N   1 
ATOM   292  C CA  . GLY A 1 34  ? -40.150 2.114   -27.467 1.00 15.00 ? 40  GLY B CA  1 
ATOM   293  C C   . GLY A 1 34  ? -41.619 1.954   -27.077 1.00 16.47 ? 40  GLY B C   1 
ATOM   294  O O   . GLY A 1 34  ? -42.042 0.902   -26.618 1.00 17.29 ? 40  GLY B O   1 
ATOM   295  N N   . ASP A 1 35  ? -42.372 3.058   -27.174 1.00 20.65 ? 41  ASP B N   1 
ATOM   296  C CA  . ASP A 1 35  ? -43.812 3.012   -26.747 1.00 23.42 ? 41  ASP B CA  1 
ATOM   297  C C   . ASP A 1 35  ? -44.684 2.668   -27.978 1.00 21.01 ? 41  ASP B C   1 
ATOM   298  O O   . ASP A 1 35  ? -45.928 2.513   -27.803 1.00 20.98 ? 41  ASP B O   1 
ATOM   299  C CB  . ASP A 1 35  ? -44.218 4.268   -25.943 1.00 27.98 ? 41  ASP B CB  1 
ATOM   300  C CG  . ASP A 1 35  ? -43.771 4.312   -24.468 1.00 38.14 ? 41  ASP B CG  1 
ATOM   301  O OD1 . ASP A 1 35  ? -43.538 3.229   -23.864 1.00 42.22 ? 41  ASP B OD1 1 
ATOM   302  O OD2 . ASP A 1 35  ? -43.688 5.428   -23.894 1.00 38.32 ? 41  ASP B OD2 1 
ATOM   303  N N   . THR A 1 36  ? -44.104 2.358   -29.125 1.00 16.26 ? 42  THR B N   1 
ATOM   304  C CA  . THR A 1 36  ? -44.815 2.009   -30.385 1.00 16.74 ? 42  THR B CA  1 
ATOM   305  C C   . THR A 1 36  ? -43.889 1.272   -31.357 1.00 13.78 ? 42  THR B C   1 
ATOM   306  O O   . THR A 1 36  ? -42.582 1.255   -31.156 1.00 13.53 ? 42  THR B O   1 
ATOM   307  C CB  . THR A 1 36  ? -45.338 3.352   -30.873 1.00 18.24 ? 42  THR B CB  1 
ATOM   308  O OG1 . THR A 1 36  ? -46.245 3.036   -31.898 1.00 19.78 ? 42  THR B OG1 1 
ATOM   309  C CG2 . THR A 1 36  ? -44.222 4.269   -31.328 1.00 19.53 ? 42  THR B CG2 1 
ATOM   310  N N   . HIS A 1 37  ? -44.371 0.817   -32.507 1.00 13.94 ? 43  HIS B N   1 
ATOM   311  C CA  . HIS A 1 37  ? -43.541 0.316   -33.631 1.00 13.24 ? 43  HIS B CA  1 
ATOM   312  C C   . HIS A 1 37  ? -42.578 1.412   -34.080 1.00 15.09 ? 43  HIS B C   1 
ATOM   313  O O   . HIS A 1 37  ? -43.001 2.586   -34.294 1.00 14.53 ? 43  HIS B O   1 
ATOM   314  C CB  . HIS A 1 37  ? -44.476 -0.184  -34.750 1.00 12.88 ? 43  HIS B CB  1 
ATOM   315  C CG  . HIS A 1 37  ? -43.852 -0.844  -35.914 1.00 12.58 ? 43  HIS B CG  1 
ATOM   316  N ND1 . HIS A 1 37  ? -43.047 -0.202  -36.848 1.00 13.56 ? 43  HIS B ND1 1 
ATOM   317  C CD2 . HIS A 1 37  ? -43.965 -2.126  -36.364 1.00 12.84 ? 43  HIS B CD2 1 
ATOM   318  C CE1 . HIS A 1 37  ? -42.721 -1.051  -37.800 1.00 12.48 ? 43  HIS B CE1 1 
ATOM   319  N NE2 . HIS A 1 37  ? -43.272 -2.293  -37.522 1.00 13.30 ? 43  HIS B NE2 1 
ATOM   320  N N   . GLN A 1 38  ? -41.313 1.069   -34.307 1.00 12.92 ? 44  GLN B N   1 
ATOM   321  C CA  . GLN A 1 38  ? -40.255 2.066   -34.572 1.00 12.74 ? 44  GLN B CA  1 
ATOM   322  C C   . GLN A 1 38  ? -40.052 2.322   -36.075 1.00 14.16 ? 44  GLN B C   1 
ATOM   323  O O   . GLN A 1 38  ? -39.016 2.907   -36.467 1.00 15.51 ? 44  GLN B O   1 
ATOM   324  C CB  . GLN A 1 38  ? -38.960 1.663   -33.863 1.00 13.08 ? 44  GLN B CB  1 
ATOM   325  C CG  . GLN A 1 38  ? -39.088 1.744   -32.382 1.00 12.47 ? 44  GLN B CG  1 
ATOM   326  C CD  . GLN A 1 38  ? -39.560 3.087   -31.888 1.00 12.98 ? 44  GLN B CD  1 
ATOM   327  O OE1 . GLN A 1 38  ? -40.501 3.239   -31.079 1.00 15.30 ? 44  GLN B OE1 1 
ATOM   328  N NE2 . GLN A 1 38  ? -38.915 4.133   -32.370 1.00 12.11 ? 44  GLN B NE2 1 
ATOM   329  N N   . ASN A 1 39  ? -41.020 1.965   -36.903 1.00 13.66 ? 45  ASN B N   1 
ATOM   330  C CA  . ASN A 1 39  ? -41.099 2.428   -38.313 1.00 12.54 ? 45  ASN B CA  1 
ATOM   331  C C   . ASN A 1 39  ? -40.005 1.806   -39.142 1.00 13.72 ? 45  ASN B C   1 
ATOM   332  O O   . ASN A 1 39  ? -39.531 2.408   -40.119 1.00 15.39 ? 45  ASN B O   1 
ATOM   333  C CB  . ASN A 1 39  ? -41.117 3.966   -38.436 1.00 12.68 ? 45  ASN B CB  1 
ATOM   334  C CG  . ASN A 1 39  ? -41.772 4.400   -39.741 1.00 12.50 ? 45  ASN B CG  1 
ATOM   335  O OD1 . ASN A 1 39  ? -42.646 3.730   -40.299 1.00 12.04 ? 45  ASN B OD1 1 
ATOM   336  N ND2 . ASN A 1 39  ? -41.333 5.550   -40.278 1.00 12.27 ? 45  ASN B ND2 1 
ATOM   337  N N   . VAL A 1 40  ? -39.684 0.543   -38.903 1.00 15.42 ? 46  VAL B N   1 
ATOM   338  C CA  . VAL A 1 40  ? -38.714 -0.289  -39.673 1.00 16.70 ? 46  VAL B CA  1 
ATOM   339  C C   . VAL A 1 40  ? -39.476 -1.342  -40.504 1.00 15.05 ? 46  VAL B C   1 
ATOM   340  O O   . VAL A 1 40  ? -40.544 -1.740  -40.078 1.00 15.51 ? 46  VAL B O   1 
ATOM   341  C CB  . VAL A 1 40  ? -37.697 -0.958  -38.719 1.00 17.86 ? 46  VAL B CB  1 
ATOM   342  C CG1 . VAL A 1 40  ? -36.804 0.085   -38.059 1.00 20.78 ? 46  VAL B CG1 1 
ATOM   343  C CG2 . VAL A 1 40  ? -38.352 -1.842  -37.656 1.00 18.36 ? 46  VAL B CG2 1 
ATOM   344  N N   . SER A 1 41  ? -38.900 -1.831  -41.594 1.00 16.40 ? 47  SER B N   1 
ATOM   345  C CA  . SER A 1 41  ? -39.466 -2.948  -42.374 1.00 17.45 ? 47  SER B CA  1 
ATOM   346  C C   . SER A 1 41  ? -39.288 -4.247  -41.603 1.00 15.99 ? 47  SER B C   1 
ATOM   347  O O   . SER A 1 41  ? -38.315 -4.396  -40.798 1.00 15.43 ? 47  SER B O   1 
ATOM   348  C CB  . SER A 1 41  ? -38.843 -3.050  -43.753 1.00 19.27 ? 47  SER B CB  1 
ATOM   349  O OG  . SER A 1 41  ? -37.440 -3.223  -43.676 1.00 22.42 ? 47  SER B OG  1 
ATOM   350  N N   . ASP A 1 42  ? -40.113 -5.231  -41.873 1.00 16.39 ? 48  ASP B N   1 
ATOM   351  C CA  . ASP A 1 42  ? -39.973 -6.571  -41.269 1.00 16.65 ? 48  ASP B CA  1 
ATOM   352  C C   . ASP A 1 42  ? -38.932 -7.341  -42.070 1.00 18.23 ? 48  ASP B C   1 
ATOM   353  O O   . ASP A 1 42  ? -38.645 -7.008  -43.251 1.00 18.63 ? 48  ASP B O   1 
ATOM   354  C CB  . ASP A 1 42  ? -41.321 -7.266  -41.206 1.00 18.74 ? 48  ASP B CB  1 
ATOM   355  C CG  . ASP A 1 42  ? -41.216 -8.538  -40.405 1.00 23.01 ? 48  ASP B CG  1 
ATOM   356  O OD1 . ASP A 1 42  ? -40.520 -8.546  -39.310 1.00 18.03 ? 48  ASP B OD1 1 
ATOM   357  O OD2 . ASP A 1 42  ? -41.707 -9.553  -40.980 1.00 30.74 ? 48  ASP B OD2 1 
ATOM   358  N N   . ASN A 1 43  ? -38.317 -8.343  -41.426 1.00 16.18 ? 49  ASN B N   1 
ATOM   359  C CA  . ASN A 1 43  ? -37.336 -9.227  -42.088 1.00 17.51 ? 49  ASN B CA  1 
ATOM   360  C C   . ASN A 1 43  ? -37.261 -10.509 -41.272 1.00 18.20 ? 49  ASN B C   1 
ATOM   361  O O   . ASN A 1 43  ? -37.864 -10.591 -40.174 1.00 18.08 ? 49  ASN B O   1 
ATOM   362  C CB  . ASN A 1 43  ? -36.021 -8.508  -42.262 1.00 16.70 ? 49  ASN B CB  1 
ATOM   363  C CG  . ASN A 1 43  ? -35.276 -8.329  -40.958 1.00 17.15 ? 49  ASN B CG  1 
ATOM   364  O OD1 . ASN A 1 43  ? -35.141 -9.290  -40.194 1.00 17.93 ? 49  ASN B OD1 1 
ATOM   365  N ND2 . ASN A 1 43  ? -34.812 -7.163  -40.658 1.00 15.54 ? 49  ASN B ND2 1 
ATOM   366  N N   . LYS A 1 44  ? -36.659 -11.536 -41.850 1.00 18.71 ? 50  LYS B N   1 
ATOM   367  C CA  . LYS A 1 44  ? -36.701 -12.887 -41.242 1.00 19.25 ? 50  LYS B CA  1 
ATOM   368  C C   . LYS A 1 44  ? -35.792 -12.942 -39.999 1.00 16.35 ? 50  LYS B C   1 
ATOM   369  O O   . LYS A 1 44  ? -35.983 -13.871 -39.219 1.00 17.84 ? 50  LYS B O   1 
ATOM   370  C CB  . LYS A 1 44  ? -36.240 -13.948 -42.248 1.00 22.90 ? 50  LYS B CB  1 
ATOM   371  C CG  . LYS A 1 44  ? -34.799 -13.811 -42.685 1.00 26.01 ? 50  LYS B CG  1 
ATOM   372  C CD  . LYS A 1 44  ? -34.320 -14.980 -43.534 1.00 34.18 ? 50  LYS B CD  1 
ATOM   373  C CE  . LYS A 1 44  ? -32.877 -14.824 -43.947 1.00 39.36 ? 50  LYS B CE  1 
ATOM   374  N NZ  . LYS A 1 44  ? -32.519 -15.842 -44.964 1.00 44.77 ? 50  LYS B NZ  1 
ATOM   375  N N   . GLU A 1 45  ? -34.900 -11.987 -39.827 1.00 15.65 ? 51  GLU B N   1 
ATOM   376  C CA  . GLU A 1 45  ? -33.991 -11.962 -38.640 1.00 15.46 ? 51  GLU B CA  1 
ATOM   377  C C   . GLU A 1 45  ? -34.700 -11.435 -37.381 1.00 14.89 ? 51  GLU B C   1 
ATOM   378  O O   . GLU A 1 45  ? -34.223 -11.738 -36.248 1.00 15.66 ? 51  GLU B O   1 
ATOM   379  C CB  . GLU A 1 45  ? -32.762 -11.123 -38.908 1.00 17.64 ? 51  GLU B CB  1 
ATOM   380  C CG  . GLU A 1 45  ? -31.914 -11.564 -40.097 1.00 22.43 ? 51  GLU B CG  1 
ATOM   381  C CD  . GLU A 1 45  ? -30.738 -10.617 -40.286 1.00 30.46 ? 51  GLU B CD  1 
ATOM   382  O OE1 . GLU A 1 45  ? -30.694 -9.913  -41.330 1.00 40.19 ? 51  GLU B OE1 1 
ATOM   383  O OE2 . GLU A 1 45  ? -29.879 -10.528 -39.382 1.00 35.08 ? 51  GLU B OE2 1 
ATOM   384  N N   . ARG A 1 46  ? -35.713 -10.572 -37.486 1.00 13.48 ? 52  ARG B N   1 
ATOM   385  C CA  . ARG A 1 46  ? -36.247 -9.885  -36.280 1.00 12.37 ? 52  ARG B CA  1 
ATOM   386  C C   . ARG A 1 46  ? -36.953 -10.832 -35.347 1.00 12.65 ? 52  ARG B C   1 
ATOM   387  O O   . ARG A 1 46  ? -37.799 -11.624 -35.746 1.00 13.45 ? 52  ARG B O   1 
ATOM   388  C CB  . ARG A 1 46  ? -37.250 -8.799  -36.681 1.00 11.98 ? 52  ARG B CB  1 
ATOM   389  C CG  . ARG A 1 46  ? -36.662 -7.686  -37.508 1.00 13.80 ? 52  ARG B CG  1 
ATOM   390  C CD  . ARG A 1 46  ? -37.568 -6.422  -37.454 1.00 13.18 ? 52  ARG B CD  1 
ATOM   391  N NE  . ARG A 1 46  ? -37.055 -5.403  -38.331 1.00 14.75 ? 52  ARG B NE  1 
ATOM   392  C CZ  . ARG A 1 46  ? -35.974 -4.673  -38.114 1.00 14.31 ? 52  ARG B CZ  1 
ATOM   393  N NH1 . ARG A 1 46  ? -35.346 -4.692  -36.939 1.00 13.17 ? 52  ARG B NH1 1 
ATOM   394  N NH2 . ARG A 1 46  ? -35.502 -3.862  -39.062 1.00 16.40 ? 52  ARG B NH2 1 
ATOM   395  N N   . PHE A 1 47  ? -36.673 -10.738 -34.065 1.00 11.58 ? 53  PHE B N   1 
ATOM   396  C CA  . PHE A 1 47  ? -37.467 -11.438 -33.047 1.00 11.63 ? 53  PHE B CA  1 
ATOM   397  C C   . PHE A 1 47  ? -38.885 -10.849 -33.042 1.00 13.07 ? 53  PHE B C   1 
ATOM   398  O O   . PHE A 1 47  ? -39.041 -9.649  -32.794 1.00 12.98 ? 53  PHE B O   1 
ATOM   399  C CB  . PHE A 1 47  ? -36.847 -11.321 -31.670 1.00 10.69 ? 53  PHE B CB  1 
ATOM   400  C CG  . PHE A 1 47  ? -35.613 -12.175 -31.539 1.00 10.56 ? 53  PHE B CG  1 
ATOM   401  C CD1 . PHE A 1 47  ? -35.725 -13.527 -31.274 1.00 10.98 ? 53  PHE B CD1 1 
ATOM   402  C CD2 . PHE A 1 47  ? -34.343 -11.628 -31.605 1.00 11.08 ? 53  PHE B CD2 1 
ATOM   403  C CE1 . PHE A 1 47  ? -34.600 -14.332 -31.117 1.00 11.70 ? 53  PHE B CE1 1 
ATOM   404  C CE2 . PHE A 1 47  ? -33.205 -12.443 -31.444 1.00 11.58 ? 53  PHE B CE2 1 
ATOM   405  C CZ  . PHE A 1 47  ? -33.365 -13.790 -31.200 1.00 10.56 ? 53  PHE B CZ  1 
ATOM   406  N N   . SER A 1 48  ? -39.909 -11.642 -33.264 1.00 13.64 ? 54  SER B N   1 
ATOM   407  C CA  . SER A 1 48  ? -41.303 -11.122 -33.448 1.00 14.05 ? 54  SER B CA  1 
ATOM   408  C C   . SER A 1 48  ? -42.037 -11.049 -32.128 1.00 14.22 ? 54  SER B C   1 
ATOM   409  O O   . SER A 1 48  ? -42.853 -10.073 -31.942 1.00 16.68 ? 54  SER B O   1 
ATOM   410  C CB  . SER A 1 48  ? -42.047 -11.995 -34.464 1.00 15.28 ? 54  SER B CB  1 
ATOM   411  O OG  . SER A 1 48  ? -42.180 -13.330 -34.022 1.00 15.27 ? 54  SER B OG  1 
ATOM   412  N N   . ASN A 1 49  ? -41.898 -11.971 -31.221 1.00 13.37 ? 55  ASN B N   1 
ATOM   413  C CA  . ASN A 1 49  ? -42.836 -12.114 -30.090 1.00 14.91 ? 55  ASN B CA  1 
ATOM   414  C C   . ASN A 1 49  ? -42.321 -11.437 -28.817 1.00 13.43 ? 55  ASN B C   1 
ATOM   415  O O   . ASN A 1 49  ? -43.088 -11.311 -27.858 1.00 15.10 ? 55  ASN B O   1 
ATOM   416  C CB  . ASN A 1 49  ? -43.116 -13.576 -29.744 1.00 16.47 ? 55  ASN B CB  1 
ATOM   417  C CG  . ASN A 1 49  ? -44.024 -14.283 -30.741 1.00 18.25 ? 55  ASN B CG  1 
ATOM   418  O OD1 . ASN A 1 49  ? -43.821 -14.178 -31.941 1.00 20.33 ? 55  ASN B OD1 1 
ATOM   419  N ND2 . ASN A 1 49  ? -44.993 -15.031 -30.219 1.00 21.95 ? 55  ASN B ND2 1 
ATOM   420  N N   . TYR A 1 50  ? -41.022 -11.111 -28.748 1.00 11.92 ? 56  TYR B N   1 
ATOM   421  C CA  . TYR A 1 50  ? -40.404 -10.620 -27.490 1.00 11.38 ? 56  TYR B CA  1 
ATOM   422  C C   . TYR A 1 50  ? -39.464 -9.473  -27.815 1.00 10.06 ? 56  TYR B C   1 
ATOM   423  O O   . TYR A 1 50  ? -38.952 -9.396  -28.917 1.00 10.59 ? 56  TYR B O   1 
ATOM   424  C CB  . TYR A 1 50  ? -39.606 -11.755 -26.843 1.00 11.58 ? 56  TYR B CB  1 
ATOM   425  C CG  . TYR A 1 50  ? -40.316 -13.092 -26.755 1.00 12.34 ? 56  TYR B CG  1 
ATOM   426  C CD1 . TYR A 1 50  ? -41.324 -13.282 -25.818 1.00 14.54 ? 56  TYR B CD1 1 
ATOM   427  C CD2 . TYR A 1 50  ? -40.018 -14.164 -27.577 1.00 13.26 ? 56  TYR B CD2 1 
ATOM   428  C CE1 . TYR A 1 50  ? -41.976 -14.510 -25.684 1.00 16.12 ? 56  TYR B CE1 1 
ATOM   429  C CE2 . TYR A 1 50  ? -40.715 -15.360 -27.516 1.00 13.50 ? 56  TYR B CE2 1 
ATOM   430  C CZ  . TYR A 1 50  ? -41.681 -15.541 -26.548 1.00 14.38 ? 56  TYR B CZ  1 
ATOM   431  O OH  . TYR A 1 50  ? -42.289 -16.774 -26.493 1.00 16.00 ? 56  TYR B OH  1 
ATOM   432  N N   . PRO A 1 51  ? -39.145 -8.617  -26.821 1.00 10.40 ? 57  PRO B N   1 
ATOM   433  C CA  . PRO A 1 51  ? -38.296 -7.444  -27.049 1.00 10.36 ? 57  PRO B CA  1 
ATOM   434  C C   . PRO A 1 51  ? -36.779 -7.762  -27.040 1.00 9.25  ? 57  PRO B C   1 
ATOM   435  O O   . PRO A 1 51  ? -36.005 -7.224  -26.260 1.00 9.58  ? 57  PRO B O   1 
ATOM   436  C CB  . PRO A 1 51  ? -38.691 -6.461  -25.900 1.00 12.32 ? 57  PRO B CB  1 
ATOM   437  C CG  . PRO A 1 51  ? -39.859 -7.098  -25.201 1.00 13.95 ? 57  PRO B CG  1 
ATOM   438  C CD  . PRO A 1 51  ? -39.771 -8.567  -25.498 1.00 11.29 ? 57  PRO B CD  1 
ATOM   439  N N   . MET A 1 52  ? -36.393 -8.626  -27.989 1.00 9.36  ? 58  MET B N   1 
ATOM   440  C CA  . MET A 1 52  ? -35.050 -9.228  -28.071 1.00 8.53  ? 58  MET B CA  1 
ATOM   441  C C   . MET A 1 52  ? -34.270 -8.645  -29.221 1.00 8.77  ? 58  MET B C   1 
ATOM   442  O O   . MET A 1 52  ? -34.788 -8.156  -30.259 1.00 9.80  ? 58  MET B O   1 
ATOM   443  C CB  . MET A 1 52  ? -35.166 -10.735 -28.245 1.00 9.12  ? 58  MET B CB  1 
ATOM   444  C CG  . MET A 1 52  ? -35.715 -11.436 -27.051 1.00 9.03  ? 58  MET B CG  1 
ATOM   445  S SD  . MET A 1 52  ? -36.206 -13.139 -27.464 1.00 10.76 ? 58  MET B SD  1 
ATOM   446  C CE  . MET A 1 52  ? -36.816 -13.760 -25.903 1.00 11.72 ? 58  MET B CE  1 
ATOM   447  N N   . VAL A 1 53  ? -32.938 -8.689  -29.072 1.00 8.90  ? 59  VAL B N   1 
ATOM   448  C CA  . VAL A 1 53  ? -31.957 -8.226  -30.087 1.00 9.60  ? 59  VAL B CA  1 
ATOM   449  C C   . VAL A 1 53  ? -30.656 -9.011  -29.869 1.00 9.87  ? 59  VAL B C   1 
ATOM   450  O O   . VAL A 1 53  ? -30.353 -9.403  -28.718 1.00 9.85  ? 59  VAL B O   1 
ATOM   451  C CB  . VAL A 1 53  ? -31.745 -6.698  -30.031 1.00 9.75  ? 59  VAL B CB  1 
ATOM   452  C CG1 . VAL A 1 53  ? -31.223 -6.240  -28.693 1.00 10.28 ? 59  VAL B CG1 1 
ATOM   453  C CG2 . VAL A 1 53  ? -30.869 -6.195  -31.170 1.00 10.18 ? 59  VAL B CG2 1 
ATOM   454  N N   . LEU A 1 54  ? -29.887 -9.184  -30.926 1.00 9.12  ? 60  LEU B N   1 
ATOM   455  C CA  . LEU A 1 54  ? -28.566 -9.851  -30.860 1.00 9.12  ? 60  LEU B CA  1 
ATOM   456  C C   . LEU A 1 54  ? -27.447 -8.855  -30.991 1.00 10.26 ? 60  LEU B C   1 
ATOM   457  O O   . LEU A 1 54  ? -27.561 -7.778  -31.693 1.00 11.38 ? 60  LEU B O   1 
ATOM   458  C CB  . LEU A 1 54  ? -28.395 -10.903 -31.951 1.00 10.36 ? 60  LEU B CB  1 
ATOM   459  C CG  . LEU A 1 54  ? -29.460 -11.961 -31.984 1.00 10.45 ? 60  LEU B CG  1 
ATOM   460  C CD1 . LEU A 1 54  ? -29.183 -13.043 -33.025 1.00 12.22 ? 60  LEU B CD1 1 
ATOM   461  C CD2 . LEU A 1 54  ? -29.665 -12.612 -30.628 1.00 10.68 ? 60  LEU B CD2 1 
ATOM   462  N N   . GLY A 1 55  ? -26.288 -9.180  -30.411 1.00 9.94  ? 61  GLY B N   1 
ATOM   463  C CA  . GLY A 1 55  ? -25.025 -8.502  -30.780 1.00 10.22 ? 61  GLY B CA  1 
ATOM   464  C C   . GLY A 1 55  ? -24.615 -8.845  -32.219 1.00 10.33 ? 61  GLY B C   1 
ATOM   465  O O   . GLY A 1 55  ? -24.943 -9.882  -32.721 1.00 11.07 ? 61  GLY B O   1 
ATOM   466  N N   . ALA A 1 56  ? -23.870 -7.940  -32.847 1.00 12.06 ? 62  ALA B N   1 
ATOM   467  C CA  . ALA A 1 56  ? -23.349 -8.142  -34.220 1.00 13.37 ? 62  ALA B CA  1 
ATOM   468  C C   . ALA A 1 56  ? -22.228 -9.184  -34.243 1.00 13.69 ? 62  ALA B C   1 
ATOM   469  O O   . ALA A 1 56  ? -22.079 -9.902  -35.243 1.00 16.76 ? 62  ALA B O   1 
ATOM   470  C CB  . ALA A 1 56  ? -22.853 -6.840  -34.754 1.00 14.69 ? 62  ALA B CB  1 
ATOM   471  N N   . GLN A 1 57  ? -21.466 -9.251  -33.179 1.00 12.88 ? 63  GLN B N   1 
ATOM   472  C CA  . GLN A 1 57  ? -20.274 -10.139 -33.141 1.00 13.28 ? 63  GLN B CA  1 
ATOM   473  C C   . GLN A 1 57  ? -20.691 -11.609 -33.129 1.00 13.71 ? 63  GLN B C   1 
ATOM   474  O O   . GLN A 1 57  ? -21.706 -12.014 -32.495 1.00 13.89 ? 63  GLN B O   1 
ATOM   475  C CB  . GLN A 1 57  ? -19.432 -9.799  -31.912 1.00 15.43 ? 63  GLN B CB  1 
ATOM   476  C CG  . GLN A 1 57  ? -18.743 -8.451  -31.999 1.00 17.56 ? 63  GLN B CG  1 
ATOM   477  C CD  . GLN A 1 57  ? -19.693 -7.272  -31.875 1.00 17.23 ? 63  GLN B CD  1 
ATOM   478  O OE1 . GLN A 1 57  ? -20.662 -7.321  -31.118 1.00 16.22 ? 63  GLN B OE1 1 
ATOM   479  N NE2 . GLN A 1 57  ? -19.435 -6.195  -32.574 1.00 19.26 ? 63  GLN B NE2 1 
ATOM   480  N N   . ARG A 1 58  ? -19.946 -12.459 -33.842 1.00 14.41 ? 64  ARG B N   1 
ATOM   481  C CA  . ARG A 1 58  ? -20.099 -13.915 -33.840 1.00 13.76 ? 64  ARG B CA  1 
ATOM   482  C C   . ARG A 1 58  ? -18.846 -14.551 -33.270 1.00 12.99 ? 64  ARG B C   1 
ATOM   483  O O   . ARG A 1 58  ? -17.741 -14.133 -33.657 1.00 16.35 ? 64  ARG B O   1 
ATOM   484  C CB  . ARG A 1 58  ? -20.253 -14.492 -35.268 1.00 17.60 ? 64  ARG B CB  1 
ATOM   485  C CG  . ARG A 1 58  ? -21.628 -14.417 -35.934 1.00 25.61 ? 64  ARG B CG  1 
ATOM   486  C CD  . ARG A 1 58  ? -22.249 -13.056 -35.735 1.00 25.00 ? 64  ARG B CD  1 
ATOM   487  N NE  . ARG A 1 58  ? -23.016 -12.207 -36.654 1.00 29.67 ? 64  ARG B NE  1 
ATOM   488  C CZ  . ARG A 1 58  ? -23.741 -12.587 -37.695 1.00 27.00 ? 64  ARG B CZ  1 
ATOM   489  N NH1 . ARG A 1 58  ? -24.383 -11.668 -38.405 1.00 30.89 ? 64  ARG B NH1 1 
ATOM   490  N NH2 . ARG A 1 58  ? -23.777 -13.847 -38.062 1.00 30.98 ? 64  ARG B NH2 1 
ATOM   491  N N   . PHE A 1 59  ? -18.997 -15.481 -32.367 1.00 11.88 ? 65  PHE B N   1 
ATOM   492  C CA  . PHE A 1 59  ? -17.837 -16.151 -31.735 1.00 12.67 ? 65  PHE B CA  1 
ATOM   493  C C   . PHE A 1 59  ? -17.901 -17.633 -32.006 1.00 11.59 ? 65  PHE B C   1 
ATOM   494  O O   . PHE A 1 59  ? -18.896 -18.285 -31.797 1.00 11.83 ? 65  PHE B O   1 
ATOM   495  C CB  . PHE A 1 59  ? -17.870 -15.904 -30.217 1.00 14.50 ? 65  PHE B CB  1 
ATOM   496  C CG  . PHE A 1 59  ? -17.884 -14.432 -29.831 1.00 16.30 ? 65  PHE B CG  1 
ATOM   497  C CD1 . PHE A 1 59  ? -16.881 -13.617 -30.326 1.00 18.74 ? 65  PHE B CD1 1 
ATOM   498  C CD2 . PHE A 1 59  ? -18.885 -13.851 -29.078 1.00 22.98 ? 65  PHE B CD2 1 
ATOM   499  C CE1 . PHE A 1 59  ? -16.818 -12.262 -30.038 1.00 21.57 ? 65  PHE B CE1 1 
ATOM   500  C CE2 . PHE A 1 59  ? -18.802 -12.486 -28.749 1.00 18.51 ? 65  PHE B CE2 1 
ATOM   501  C CZ  . PHE A 1 59  ? -17.812 -11.714 -29.288 1.00 20.51 ? 65  PHE B CZ  1 
ATOM   502  N N   A SER A 1 60  ? -16.775 -18.196 -32.467 0.25 12.01 ? 66  SER B N   1 
ATOM   503  N N   B SER A 1 60  ? -16.768 -18.183 -32.465 0.25 11.89 ? 66  SER B N   1 
ATOM   504  C CA  A SER A 1 60  ? -16.664 -19.646 -32.779 0.25 12.66 ? 66  SER B CA  1 
ATOM   505  C CA  B SER A 1 60  ? -16.596 -19.629 -32.760 0.25 12.39 ? 66  SER B CA  1 
ATOM   506  C C   A SER A 1 60  ? -15.445 -20.299 -32.104 0.25 12.62 ? 66  SER B C   1 
ATOM   507  C C   B SER A 1 60  ? -15.316 -20.179 -32.136 0.25 12.62 ? 66  SER B C   1 
ATOM   508  O O   A SER A 1 60  ? -15.291 -21.535 -32.262 0.25 12.33 ? 66  SER B O   1 
ATOM   509  O O   B SER A 1 60  ? -14.890 -21.268 -32.525 0.25 11.41 ? 66  SER B O   1 
ATOM   510  C CB  A SER A 1 60  ? -16.710 -19.878 -34.284 0.25 13.11 ? 66  SER B CB  1 
ATOM   511  C CB  B SER A 1 60  ? -16.564 -19.868 -34.233 0.25 12.78 ? 66  SER B CB  1 
ATOM   512  O OG  A SER A 1 60  ? -18.050 -19.708 -34.782 0.25 13.88 ? 66  SER B OG  1 
ATOM   513  O OG  B SER A 1 60  ? -15.526 -19.103 -34.785 0.25 13.71 ? 66  SER B OG  1 
ATOM   514  N N   A SER A 1 61  ? -14.661 -19.518 -31.344 0.25 12.10 ? 67  SER B N   1 
ATOM   515  N N   B SER A 1 61  ? -14.688 -19.428 -31.245 0.25 12.63 ? 67  SER B N   1 
ATOM   516  C CA  A SER A 1 61  ? -13.450 -19.964 -30.596 0.25 12.51 ? 67  SER B CA  1 
ATOM   517  C CA  B SER A 1 61  ? -13.415 -19.854 -30.625 0.25 13.81 ? 67  SER B CA  1 
ATOM   518  C C   A SER A 1 61  ? -13.151 -18.973 -29.464 0.25 13.17 ? 67  SER B C   1 
ATOM   519  C C   B SER A 1 61  ? -13.050 -18.875 -29.519 0.25 13.81 ? 67  SER B C   1 
ATOM   520  O O   A SER A 1 61  ? -13.751 -17.903 -29.451 0.25 13.71 ? 67  SER B O   1 
ATOM   521  O O   B SER A 1 61  ? -13.481 -17.709 -29.601 0.25 13.88 ? 67  SER B O   1 
ATOM   522  C CB  A SER A 1 61  ? -12.232 -20.065 -31.515 0.25 12.91 ? 67  SER B CB  1 
ATOM   523  C CB  B SER A 1 61  ? -12.315 -19.907 -31.670 0.25 14.88 ? 67  SER B CB  1 
ATOM   524  O OG  A SER A 1 61  ? -11.815 -18.780 -31.958 0.25 13.88 ? 67  SER B OG  1 
ATOM   525  O OG  B SER A 1 61  ? -11.162 -20.537 -31.148 0.25 17.95 ? 67  SER B OG  1 
ATOM   526  N N   . GLY A 1 62  ? -12.210 -19.312 -28.589 1.00 14.14 ? 68  GLY B N   1 
ATOM   527  C CA  . GLY A 1 62  ? -11.612 -18.347 -27.663 1.00 15.40 ? 68  GLY B CA  1 
ATOM   528  C C   . GLY A 1 62  ? -12.442 -18.056 -26.421 1.00 12.51 ? 68  GLY B C   1 
ATOM   529  O O   . GLY A 1 62  ? -13.448 -18.721 -26.165 1.00 13.74 ? 68  GLY B O   1 
ATOM   530  N N   . LYS A 1 63  ? -11.940 -17.072 -25.714 1.00 12.37 ? 69  LYS B N   1 
ATOM   531  C CA  . LYS A 1 63  ? -12.516 -16.600 -24.454 1.00 12.90 ? 69  LYS B CA  1 
ATOM   532  C C   . LYS A 1 63  ? -12.959 -15.172 -24.705 1.00 12.46 ? 69  LYS B C   1 
ATOM   533  O O   . LYS A 1 63  ? -12.198 -14.365 -25.212 1.00 14.23 ? 69  LYS B O   1 
ATOM   534  C CB  . LYS A 1 63  ? -11.473 -16.720 -23.352 1.00 14.13 ? 69  LYS B CB  1 
ATOM   535  C CG  . LYS A 1 63  ? -11.081 -18.145 -23.013 1.00 14.58 ? 69  LYS B CG  1 
ATOM   536  C CD  . LYS A 1 63  ? -9.981  -18.210 -21.926 1.00 16.95 ? 69  LYS B CD  1 
ATOM   537  C CE  . LYS A 1 63  ? -9.611  -19.624 -21.548 1.00 19.72 ? 69  LYS B CE  1 
ATOM   538  N NZ  . LYS A 1 63  ? -8.535  -19.648 -20.519 1.00 22.06 ? 69  LYS B NZ  1 
ATOM   539  N N   . MET A 1 64  ? -14.163 -14.826 -24.257 1.00 11.88 ? 70  MET B N   1 
ATOM   540  C CA  . MET A 1 64  ? -14.794 -13.503 -24.475 1.00 11.78 ? 70  MET B CA  1 
ATOM   541  C C   . MET A 1 64  ? -15.442 -13.046 -23.177 1.00 11.10 ? 70  MET B C   1 
ATOM   542  O O   . MET A 1 64  ? -16.010 -13.878 -22.464 1.00 12.01 ? 70  MET B O   1 
ATOM   543  C CB  . MET A 1 64  ? -15.909 -13.573 -25.509 1.00 11.95 ? 70  MET B CB  1 
ATOM   544  C CG  . MET A 1 64  ? -15.463 -13.765 -26.951 1.00 13.07 ? 70  MET B CG  1 
ATOM   545  S SD  . MET A 1 64  ? -14.727 -15.315 -27.472 1.00 14.80 ? 70  MET B SD  1 
ATOM   546  C CE  . MET A 1 64  ? -15.936 -16.517 -26.997 1.00 14.97 ? 70  MET B CE  1 
ATOM   547  N N   . TYR A 1 65  ? -15.415 -11.765 -22.883 1.00 11.50 ? 71  TYR B N   1 
ATOM   548  C CA  . TYR A 1 65  ? -16.030 -11.179 -21.658 1.00 11.34 ? 71  TYR B CA  1 
ATOM   549  C C   . TYR A 1 65  ? -16.662 -9.851  -22.030 1.00 12.07 ? 71  TYR B C   1 
ATOM   550  O O   . TYR A 1 65  ? -16.012 -9.030  -22.750 1.00 12.56 ? 71  TYR B O   1 
ATOM   551  C CB  . TYR A 1 65  ? -14.974 -10.990 -20.560 1.00 12.51 ? 71  TYR B CB  1 
ATOM   552  C CG  . TYR A 1 65  ? -15.488 -10.381 -19.278 1.00 12.24 ? 71  TYR B CG  1 
ATOM   553  C CD1 . TYR A 1 65  ? -16.238 -11.134 -18.386 1.00 12.26 ? 71  TYR B CD1 1 
ATOM   554  C CD2 . TYR A 1 65  ? -15.294 -9.031  -18.996 1.00 12.87 ? 71  TYR B CD2 1 
ATOM   555  C CE1 . TYR A 1 65  ? -16.764 -10.565 -17.224 1.00 13.21 ? 71  TYR B CE1 1 
ATOM   556  C CE2 . TYR A 1 65  ? -15.822 -8.458  -17.849 1.00 12.71 ? 71  TYR B CE2 1 
ATOM   557  C CZ  . TYR A 1 65  ? -16.531 -9.220  -16.957 1.00 12.78 ? 71  TYR B CZ  1 
ATOM   558  O OH  . TYR A 1 65  ? -17.064 -8.652  -15.836 1.00 14.06 ? 71  TYR B OH  1 
ATOM   559  N N   . TRP A 1 66  ? -17.860 -9.587  -21.527 1.00 10.47 ? 72  TRP B N   1 
ATOM   560  C CA  . TRP A 1 66  ? -18.451 -8.230  -21.632 1.00 11.18 ? 72  TRP B CA  1 
ATOM   561  C C   . TRP A 1 66  ? -19.345 -7.976  -20.423 1.00 11.17 ? 72  TRP B C   1 
ATOM   562  O O   . TRP A 1 66  ? -19.670 -8.894  -19.679 1.00 11.64 ? 72  TRP B O   1 
ATOM   563  C CB  . TRP A 1 66  ? -19.173 -8.032  -22.985 1.00 10.57 ? 72  TRP B CB  1 
ATOM   564  C CG  . TRP A 1 66  ? -20.336 -8.923  -23.243 1.00 10.46 ? 72  TRP B CG  1 
ATOM   565  C CD1 . TRP A 1 66  ? -21.664 -8.627  -23.058 1.00 10.18 ? 72  TRP B CD1 1 
ATOM   566  C CD2 . TRP A 1 66  ? -20.339 -10.249 -23.767 1.00 10.98 ? 72  TRP B CD2 1 
ATOM   567  N NE1 . TRP A 1 66  ? -22.468 -9.656  -23.452 1.00 10.75 ? 72  TRP B NE1 1 
ATOM   568  C CE2 . TRP A 1 66  ? -21.670 -10.687 -23.894 1.00 11.01 ? 72  TRP B CE2 1 
ATOM   569  C CE3 . TRP A 1 66  ? -19.322 -11.116 -24.205 1.00 12.71 ? 72  TRP B CE3 1 
ATOM   570  C CZ2 . TRP A 1 66  ? -22.021 -11.935 -24.392 1.00 11.38 ? 72  TRP B CZ2 1 
ATOM   571  C CZ3 . TRP A 1 66  ? -19.655 -12.364 -24.698 1.00 14.65 ? 72  TRP B CZ3 1 
ATOM   572  C CH2 . TRP A 1 66  ? -20.983 -12.778 -24.776 1.00 13.09 ? 72  TRP B CH2 1 
ATOM   573  N N   . GLU A 1 67  ? -19.743 -6.717  -20.270 1.00 10.95 ? 73  GLU B N   1 
ATOM   574  C CA  . GLU A 1 67  ? -20.597 -6.273  -19.146 1.00 10.44 ? 73  GLU B CA  1 
ATOM   575  C C   . GLU A 1 67  ? -21.815 -5.494  -19.639 1.00 10.09 ? 73  GLU B C   1 
ATOM   576  O O   . GLU A 1 67  ? -21.725 -4.779  -20.617 1.00 10.65 ? 73  GLU B O   1 
ATOM   577  C CB  . GLU A 1 67  ? -19.806 -5.424  -18.151 1.00 12.43 ? 73  GLU B CB  1 
ATOM   578  C CG  . GLU A 1 67  ? -18.732 -6.228  -17.422 1.00 14.92 ? 73  GLU B CG  1 
ATOM   579  C CD  . GLU A 1 67  ? -17.883 -5.485  -16.413 1.00 16.94 ? 73  GLU B CD  1 
ATOM   580  O OE1 . GLU A 1 67  ? -18.085 -4.244  -16.262 1.00 22.17 ? 73  GLU B OE1 1 
ATOM   581  O OE2 . GLU A 1 67  ? -17.012 -6.143  -15.743 1.00 16.28 ? 73  GLU B OE2 1 
ATOM   582  N N   . VAL A 1 68  ? -22.904 -5.683  -18.918 1.00 10.13 ? 74  VAL B N   1 
ATOM   583  C CA  . VAL A 1 68  ? -24.179 -5.047  -19.275 1.00 9.93  ? 74  VAL B CA  1 
ATOM   584  C C   . VAL A 1 68  ? -24.750 -4.390  -18.034 1.00 10.16 ? 74  VAL B C   1 
ATOM   585  O O   . VAL A 1 68  ? -24.868 -5.006  -16.965 1.00 11.56 ? 74  VAL B O   1 
ATOM   586  C CB  . VAL A 1 68  ? -25.185 -6.069  -19.829 1.00 9.92  ? 74  VAL B CB  1 
ATOM   587  C CG1 . VAL A 1 68  ? -26.426 -5.359  -20.297 1.00 11.34 ? 74  VAL B CG1 1 
ATOM   588  C CG2 . VAL A 1 68  ? -24.569 -6.934  -20.910 1.00 10.83 ? 74  VAL B CG2 1 
ATOM   589  N N   . ASP A 1 69  ? -25.185 -3.134  -18.193 1.00 10.56 ? 75  ASP B N   1 
ATOM   590  C CA  . ASP A 1 69  ? -25.860 -2.334  -17.152 1.00 11.40 ? 75  ASP B CA  1 
ATOM   591  C C   . ASP A 1 69  ? -27.349 -2.630  -17.197 1.00 10.21 ? 75  ASP B C   1 
ATOM   592  O O   . ASP A 1 69  ? -27.972 -2.483  -18.305 1.00 10.74 ? 75  ASP B O   1 
ATOM   593  C CB  . ASP A 1 69  ? -25.583 -0.831  -17.326 1.00 13.04 ? 75  ASP B CB  1 
ATOM   594  C CG  . ASP A 1 69  ? -25.946 -0.026  -16.092 1.00 14.95 ? 75  ASP B CG  1 
ATOM   595  O OD1 . ASP A 1 69  ? -27.073 -0.047  -15.701 1.00 14.93 ? 75  ASP B OD1 1 
ATOM   596  O OD2 . ASP A 1 69  ? -25.017 0.424   -15.383 1.00 19.15 ? 75  ASP B OD2 1 
ATOM   597  N N   . VAL A 1 70  ? -27.929 -3.013  -16.059 1.00 10.23 ? 76  VAL B N   1 
ATOM   598  C CA  . VAL A 1 70  ? -29.374 -3.360  -15.896 1.00 10.94 ? 76  VAL B CA  1 
ATOM   599  C C   . VAL A 1 70  ? -30.068 -2.459  -14.846 1.00 11.08 ? 76  VAL B C   1 
ATOM   600  O O   . VAL A 1 70  ? -31.138 -2.808  -14.344 1.00 11.78 ? 76  VAL B O   1 
ATOM   601  C CB  . VAL A 1 70  ? -29.524 -4.865  -15.546 1.00 10.33 ? 76  VAL B CB  1 
ATOM   602  C CG1 . VAL A 1 70  ? -28.974 -5.794  -16.661 1.00 10.33 ? 76  VAL B CG1 1 
ATOM   603  C CG2 . VAL A 1 70  ? -28.895 -5.248  -14.222 1.00 10.88 ? 76  VAL B CG2 1 
ATOM   604  N N   . THR A 1 71  ? -29.441 -1.344  -14.505 1.00 11.53 ? 77  THR B N   1 
ATOM   605  C CA  . THR A 1 71  ? -29.930 -0.428  -13.444 1.00 12.71 ? 77  THR B CA  1 
ATOM   606  C C   . THR A 1 71  ? -31.424 -0.129  -13.643 1.00 12.51 ? 77  THR B C   1 
ATOM   607  O O   . THR A 1 71  ? -31.853 0.266   -14.725 1.00 13.19 ? 77  THR B O   1 
ATOM   608  C CB  . THR A 1 71  ? -29.134 0.878   -13.452 1.00 13.22 ? 77  THR B CB  1 
ATOM   609  O OG1 . THR A 1 71  ? -27.751 0.619   -13.201 1.00 15.27 ? 77  THR B OG1 1 
ATOM   610  C CG2 . THR A 1 71  ? -29.693 1.847   -12.432 1.00 15.53 ? 77  THR B CG2 1 
ATOM   611  N N   . GLN A 1 72  ? -32.148 -0.312  -12.546 1.00 15.73 ? 78  GLN B N   1 
ATOM   612  C CA  . GLN A 1 72  ? -33.585 0.027   -12.336 1.00 17.43 ? 78  GLN B CA  1 
ATOM   613  C C   . GLN A 1 72  ? -34.532 -0.748  -13.241 1.00 18.66 ? 78  GLN B C   1 
ATOM   614  O O   . GLN A 1 72  ? -35.754 -0.450  -13.276 1.00 22.61 ? 78  GLN B O   1 
ATOM   615  C CB  . GLN A 1 72  ? -33.829 1.524   -12.472 1.00 24.17 ? 78  GLN B CB  1 
ATOM   616  C CG  . GLN A 1 72  ? -33.632 2.104   -13.862 1.00 31.21 ? 78  GLN B CG  1 
ATOM   617  C CD  . GLN A 1 72  ? -34.631 3.202   -14.148 1.00 35.76 ? 78  GLN B CD  1 
ATOM   618  O OE1 . GLN A 1 72  ? -34.282 4.264   -14.660 1.00 39.05 ? 78  GLN B OE1 1 
ATOM   619  N NE2 . GLN A 1 72  ? -35.896 2.921   -13.863 1.00 40.65 ? 78  GLN B NE2 1 
ATOM   620  N N   . LYS A 1 73  ? -34.090 -1.798  -13.904 1.00 13.72 ? 79  LYS B N   1 
ATOM   621  C CA  . LYS A 1 73  ? -35.030 -2.656  -14.618 1.00 11.58 ? 79  LYS B CA  1 
ATOM   622  C C   . LYS A 1 73  ? -35.712 -3.687  -13.724 1.00 10.81 ? 79  LYS B C   1 
ATOM   623  O O   . LYS A 1 73  ? -35.081 -4.212  -12.762 1.00 12.71 ? 79  LYS B O   1 
ATOM   624  C CB  . LYS A 1 73  ? -34.306 -3.343  -15.768 1.00 11.56 ? 79  LYS B CB  1 
ATOM   625  C CG  . LYS A 1 73  ? -33.864 -2.353  -16.880 1.00 11.45 ? 79  LYS B CG  1 
ATOM   626  C CD  . LYS A 1 73  ? -33.327 -2.994  -18.136 1.00 12.09 ? 79  LYS B CD  1 
ATOM   627  C CE  . LYS A 1 73  ? -34.381 -3.750  -18.909 1.00 10.94 ? 79  LYS B CE  1 
ATOM   628  N NZ  . LYS A 1 73  ? -35.598 -2.926  -19.212 1.00 10.10 ? 79  LYS B NZ  1 
ATOM   629  N N   . GLU A 1 74  ? -36.948 -4.002  -14.039 1.00 9.96  ? 80  GLU B N   1 
ATOM   630  C CA  . GLU A 1 74  ? -37.750 -5.012  -13.343 1.00 10.20 ? 80  GLU B CA  1 
ATOM   631  C C   . GLU A 1 74  ? -37.698 -6.370  -14.041 1.00 10.17 ? 80  GLU B C   1 
ATOM   632  O O   . GLU A 1 74  ? -38.081 -7.374  -13.455 1.00 10.62 ? 80  GLU B O   1 
ATOM   633  C CB  . GLU A 1 74  ? -39.228 -4.579  -13.314 1.00 11.11 ? 80  GLU B CB  1 
ATOM   634  C CG  . GLU A 1 74  ? -39.539 -3.329  -12.509 1.00 12.96 ? 80  GLU B CG  1 
ATOM   635  C CD  . GLU A 1 74  ? -41.002 -2.882  -12.631 1.00 12.92 ? 80  GLU B CD  1 
ATOM   636  O OE1 . GLU A 1 74  ? -41.402 -2.051  -11.798 1.00 16.11 ? 80  GLU B OE1 1 
ATOM   637  O OE2 . GLU A 1 74  ? -41.724 -3.416  -13.493 1.00 14.06 ? 80  GLU B OE2 1 
ATOM   638  N N   . ALA A 1 75  ? -37.332 -6.426  -15.326 1.00 9.42  ? 81  ALA B N   1 
ATOM   639  C CA  . ALA A 1 75  ? -37.324 -7.688  -16.082 1.00 9.59  ? 81  ALA B CA  1 
ATOM   640  C C   . ALA A 1 75  ? -36.348 -7.542  -17.235 1.00 10.03 ? 81  ALA B C   1 
ATOM   641  O O   . ALA A 1 75  ? -36.286 -6.472  -17.892 1.00 10.12 ? 81  ALA B O   1 
ATOM   642  C CB  . ALA A 1 75  ? -38.701 -7.986  -16.613 1.00 10.55 ? 81  ALA B CB  1 
ATOM   643  N N   . TRP A 1 76  ? -35.618 -8.626  -17.529 1.00 9.24  ? 82  TRP B N   1 
ATOM   644  C CA  . TRP A 1 76  ? -34.641 -8.691  -18.649 1.00 8.60  ? 82  TRP B CA  1 
ATOM   645  C C   . TRP A 1 76  ? -34.140 -10.123 -18.730 1.00 9.13  ? 82  TRP B C   1 
ATOM   646  O O   . TRP A 1 76  ? -34.252 -10.895 -17.752 1.00 9.46  ? 82  TRP B O   1 
ATOM   647  C CB  . TRP A 1 76  ? -33.471 -7.728  -18.446 1.00 9.53  ? 82  TRP B CB  1 
ATOM   648  C CG  . TRP A 1 76  ? -32.808 -7.755  -17.107 1.00 9.73  ? 82  TRP B CG  1 
ATOM   649  C CD1 . TRP A 1 76  ? -33.002 -6.897  -16.075 1.00 10.31 ? 82  TRP B CD1 1 
ATOM   650  C CD2 . TRP A 1 76  ? -31.825 -8.693  -16.573 1.00 9.57  ? 82  TRP B CD2 1 
ATOM   651  N NE1 . TRP A 1 76  ? -32.231 -7.173  -15.000 1.00 9.94  ? 82  TRP B NE1 1 
ATOM   652  C CE2 . TRP A 1 76  ? -31.502 -8.313  -15.265 1.00 10.10 ? 82  TRP B CE2 1 
ATOM   653  C CE3 . TRP A 1 76  ? -31.188 -9.856  -17.087 1.00 10.49 ? 82  TRP B CE3 1 
ATOM   654  C CZ2 . TRP A 1 76  ? -30.578 -8.969  -14.464 1.00 10.22 ? 82  TRP B CZ2 1 
ATOM   655  C CZ3 . TRP A 1 76  ? -30.288 -10.545 -16.290 1.00 10.93 ? 82  TRP B CZ3 1 
ATOM   656  C CH2 . TRP A 1 76  ? -29.984 -10.084 -14.994 1.00 11.25 ? 82  TRP B CH2 1 
ATOM   657  N N   . ASP A 1 77  ? -33.598 -10.463 -19.888 1.00 8.88  ? 83  ASP B N   1 
ATOM   658  C CA  . ASP A 1 77  ? -32.825 -11.722 -20.095 1.00 8.97  ? 83  ASP B CA  1 
ATOM   659  C C   . ASP A 1 77  ? -31.475 -11.327 -20.684 1.00 8.73  ? 83  ASP B C   1 
ATOM   660  O O   . ASP A 1 77  ? -31.440 -10.435 -21.555 1.00 9.11  ? 83  ASP B O   1 
ATOM   661  C CB  . ASP A 1 77  ? -33.508 -12.696 -21.046 1.00 11.05 ? 83  ASP B CB  1 
ATOM   662  C CG  . ASP A 1 77  ? -35.005 -12.905 -20.933 1.00 13.06 ? 83  ASP B CG  1 
ATOM   663  O OD1 . ASP A 1 77  ? -35.451 -12.911 -19.823 1.00 17.01 ? 83  ASP B OD1 1 
ATOM   664  O OD2 . ASP A 1 77  ? -35.671 -13.098 -21.999 1.00 14.79 ? 83  ASP B OD2 1 
ATOM   665  N N   . LEU A 1 78  ? -30.407 -12.025 -20.308 1.00 8.13  ? 84  LEU B N   1 
ATOM   666  C CA  . LEU A 1 78  ? -29.052 -11.777 -20.845 1.00 8.55  ? 84  LEU B CA  1 
ATOM   667  C C   . LEU A 1 78  ? -28.334 -13.102 -21.042 1.00 8.19  ? 84  LEU B C   1 
ATOM   668  O O   . LEU A 1 78  ? -28.451 -13.996 -20.217 1.00 8.46  ? 84  LEU B O   1 
ATOM   669  C CB  . LEU A 1 78  ? -28.230 -10.921 -19.893 1.00 8.91  ? 84  LEU B CB  1 
ATOM   670  C CG  . LEU A 1 78  ? -28.587 -9.445  -19.774 1.00 10.20 ? 84  LEU B CG  1 
ATOM   671  C CD1 . LEU A 1 78  ? -27.782 -8.805  -18.648 1.00 11.12 ? 84  LEU B CD1 1 
ATOM   672  C CD2 . LEU A 1 78  ? -28.399 -8.731  -21.095 1.00 10.59 ? 84  LEU B CD2 1 
ATOM   673  N N   . GLY A 1 79  ? -27.491 -13.153 -22.071 1.00 7.64  ? 85  GLY B N   1 
ATOM   674  C CA  . GLY A 1 79  ? -26.514 -14.256 -22.184 1.00 8.31  ? 85  GLY B CA  1 
ATOM   675  C C   . GLY A 1 79  ? -25.991 -14.317 -23.605 1.00 7.72  ? 85  GLY B C   1 
ATOM   676  O O   . GLY A 1 79  ? -25.600 -13.295 -24.204 1.00 8.28  ? 85  GLY B O   1 
ATOM   677  N N   A VAL A 1 80  ? -25.920 -15.548 -24.116 0.25 7.90  ? 86  VAL B N   1 
ATOM   678  N N   B VAL A 1 80  ? -25.984 -15.519 -24.152 0.25 8.34  ? 86  VAL B N   1 
ATOM   679  C CA  A VAL A 1 80  ? -25.550 -15.841 -25.530 0.25 7.76  ? 86  VAL B CA  1 
ATOM   680  C CA  B VAL A 1 80  ? -25.411 -15.766 -25.498 0.25 8.43  ? 86  VAL B CA  1 
ATOM   681  C C   A VAL A 1 80  ? -26.549 -16.807 -26.143 0.25 8.15  ? 86  VAL B C   1 
ATOM   682  C C   B VAL A 1 80  ? -26.299 -16.856 -26.126 0.25 8.76  ? 86  VAL B C   1 
ATOM   683  O O   A VAL A 1 80  ? -27.292 -17.543 -25.454 0.25 8.22  ? 86  VAL B O   1 
ATOM   684  O O   B VAL A 1 80  ? -26.849 -17.662 -25.372 0.25 9.16  ? 86  VAL B O   1 
ATOM   685  C CB  A VAL A 1 80  ? -24.144 -16.452 -25.689 0.25 7.98  ? 86  VAL B CB  1 
ATOM   686  C CB  B VAL A 1 80  ? -23.915 -16.129 -25.329 0.25 9.18  ? 86  VAL B CB  1 
ATOM   687  C CG1 A VAL A 1 80  ? -23.120 -15.409 -25.316 0.25 7.78  ? 86  VAL B CG1 1 
ATOM   688  C CG1 B VAL A 1 80  ? -23.739 -17.478 -24.644 0.25 9.06  ? 86  VAL B CG1 1 
ATOM   689  C CG2 A VAL A 1 80  ? -23.959 -17.728 -24.876 0.25 7.93  ? 86  VAL B CG2 1 
ATOM   690  C CG2 B VAL A 1 80  ? -23.143 -16.041 -26.626 0.25 9.85  ? 86  VAL B CG2 1 
ATOM   691  N N   . CYS A 1 81  ? -26.480 -16.867 -27.459 1.00 8.77  ? 87  CYS B N   1 
ATOM   692  C CA  . CYS A 1 81  ? -27.293 -17.851 -28.143 1.00 9.72  ? 87  CYS B CA  1 
ATOM   693  C C   . CYS A 1 81  ? -26.632 -18.268 -29.458 1.00 9.20  ? 87  CYS B C   1 
ATOM   694  O O   . CYS A 1 81  ? -25.760 -17.560 -29.988 1.00 9.41  ? 87  CYS B O   1 
ATOM   695  C CB  . CYS A 1 81  ? -28.707 -17.321 -28.420 1.00 10.75 ? 87  CYS B CB  1 
ATOM   696  S SG  . CYS A 1 81  ? -28.798 -15.915 -29.557 1.00 10.72 ? 87  CYS B SG  1 
ATOM   697  N N   A ARG A 1 82  ? -27.064 -19.392 -29.982 0.25 9.78  ? 88  ARG B N   1 
ATOM   698  N N   B ARG A 1 82  ? -27.037 -19.424 -29.971 0.25 8.96  ? 88  ARG B N   1 
ATOM   699  C CA  A ARG A 1 82  ? -26.628 -19.771 -31.340 0.25 10.40 ? 88  ARG B CA  1 
ATOM   700  C CA  B ARG A 1 82  ? -26.607 -19.892 -31.320 0.25 9.08  ? 88  ARG B CA  1 
ATOM   701  C C   A ARG A 1 82  ? -27.064 -18.720 -32.352 0.25 9.87  ? 88  ARG B C   1 
ATOM   702  C C   B ARG A 1 82  ? -27.119 -18.907 -32.387 0.25 9.39  ? 88  ARG B C   1 
ATOM   703  O O   A ARG A 1 82  ? -28.115 -18.076 -32.240 0.25 9.10  ? 88  ARG B O   1 
ATOM   704  O O   B ARG A 1 82  ? -28.311 -18.483 -32.305 0.25 9.53  ? 88  ARG B O   1 
ATOM   705  C CB  A ARG A 1 82  ? -27.250 -21.102 -31.730 0.25 11.92 ? 88  ARG B CB  1 
ATOM   706  C CB  B ARG A 1 82  ? -27.145 -21.307 -31.573 0.25 9.20  ? 88  ARG B CB  1 
ATOM   707  C CG  A ARG A 1 82  ? -26.792 -22.207 -30.805 0.25 13.47 ? 88  ARG B CG  1 
ATOM   708  C CG  B ARG A 1 82  ? -26.440 -22.041 -32.708 0.25 8.73  ? 88  ARG B CG  1 
ATOM   709  C CD  A ARG A 1 82  ? -27.330 -23.532 -31.273 0.25 15.05 ? 88  ARG B CD  1 
ATOM   710  C CD  B ARG A 1 82  ? -27.010 -23.419 -32.983 0.25 9.20  ? 88  ARG B CD  1 
ATOM   711  N NE  A ARG A 1 82  ? -26.983 -24.605 -30.354 0.25 14.88 ? 88  ARG B NE  1 
ATOM   712  N NE  B ARG A 1 82  ? -26.855 -24.246 -31.815 0.25 9.09  ? 88  ARG B NE  1 
ATOM   713  C CZ  A ARG A 1 82  ? -27.797 -25.586 -30.031 0.25 15.84 ? 88  ARG B CZ  1 
ATOM   714  C CZ  B ARG A 1 82  ? -27.859 -24.815 -31.155 0.25 8.97  ? 88  ARG B CZ  1 
ATOM   715  N NH1 A ARG A 1 82  ? -29.011 -25.623 -30.544 0.25 16.34 ? 88  ARG B NH1 1 
ATOM   716  N NH1 B ARG A 1 82  ? -29.092 -24.762 -31.607 0.25 9.81  ? 88  ARG B NH1 1 
ATOM   717  N NH2 A ARG A 1 82  ? -27.390 -26.521 -29.197 0.25 17.19 ? 88  ARG B NH2 1 
ATOM   718  N NH2 B ARG A 1 82  ? -27.600 -25.469 -30.041 0.25 8.91  ? 88  ARG B NH2 1 
ATOM   719  N N   . ASP A 1 83  ? -26.287 -18.608 -33.403 1.00 10.43 ? 89  ASP B N   1 
ATOM   720  C CA  . ASP A 1 83  ? -26.672 -17.694 -34.498 1.00 11.57 ? 89  ASP B CA  1 
ATOM   721  C C   . ASP A 1 83  ? -27.975 -18.185 -35.096 1.00 12.18 ? 89  ASP B C   1 
ATOM   722  O O   . ASP A 1 83  ? -28.728 -17.311 -35.616 1.00 15.78 ? 89  ASP B O   1 
ATOM   723  C CB  . ASP A 1 83  ? -25.556 -17.642 -35.542 1.00 12.75 ? 89  ASP B CB  1 
ATOM   724  C CG  . ASP A 1 83  ? -25.187 -18.922 -36.240 1.00 14.75 ? 89  ASP B CG  1 
ATOM   725  O OD1 . ASP A 1 83  ? -25.633 -20.012 -35.835 1.00 16.30 ? 89  ASP B OD1 1 
ATOM   726  O OD2 . ASP A 1 83  ? -24.400 -18.787 -37.235 1.00 17.83 ? 89  ASP B OD2 1 
ATOM   727  N N   . SER A 1 84  ? -28.304 -19.461 -35.102 1.00 11.04 ? 90  SER B N   1 
ATOM   728  C CA  . SER A 1 84  ? -29.486 -19.977 -35.819 1.00 13.45 ? 90  SER B CA  1 
ATOM   729  C C   . SER A 1 84  ? -30.719 -20.203 -34.937 1.00 11.65 ? 90  SER B C   1 
ATOM   730  O O   . SER A 1 84  ? -31.607 -20.924 -35.333 1.00 13.50 ? 90  SER B O   1 
ATOM   731  C CB  . SER A 1 84  ? -29.120 -21.218 -36.536 1.00 15.51 ? 90  SER B CB  1 
ATOM   732  O OG  . SER A 1 84  ? -28.659 -22.163 -35.637 1.00 15.38 ? 90  SER B OG  1 
ATOM   733  N N   . VAL A 1 85  ? -30.777 -19.571 -33.766 1.00 11.08 ? 91  VAL B N   1 
ATOM   734  C CA  . VAL A 1 85  ? -31.996 -19.684 -32.939 1.00 11.31 ? 91  VAL B CA  1 
ATOM   735  C C   . VAL A 1 85  ? -33.218 -19.187 -33.734 1.00 11.42 ? 91  VAL B C   1 
ATOM   736  O O   . VAL A 1 85  ? -33.128 -18.254 -34.547 1.00 12.19 ? 91  VAL B O   1 
ATOM   737  C CB  . VAL A 1 85  ? -31.905 -18.925 -31.597 1.00 11.05 ? 91  VAL B CB  1 
ATOM   738  C CG1 . VAL A 1 85  ? -30.876 -19.600 -30.690 1.00 10.86 ? 91  VAL B CG1 1 
ATOM   739  C CG2 . VAL A 1 85  ? -31.676 -17.443 -31.738 1.00 10.87 ? 91  VAL B CG2 1 
ATOM   740  N N   . GLN A 1 86  ? -34.339 -19.816 -33.439 1.00 12.49 ? 92  GLN B N   1 
ATOM   741  C CA  . GLN A 1 86  ? -35.687 -19.369 -33.895 1.00 13.77 ? 92  GLN B CA  1 
ATOM   742  C C   . GLN A 1 86  ? -35.908 -17.887 -33.576 1.00 12.75 ? 92  GLN B C   1 
ATOM   743  O O   . GLN A 1 86  ? -35.625 -17.442 -32.486 1.00 14.03 ? 92  GLN B O   1 
ATOM   744  C CB  . GLN A 1 86  ? -36.705 -20.249 -33.167 1.00 16.24 ? 92  GLN B CB  1 
ATOM   745  C CG  . GLN A 1 86  ? -38.196 -19.976 -33.431 1.00 19.68 ? 92  GLN B CG  1 
ATOM   746  C CD  . GLN A 1 86  ? -39.101 -20.831 -32.546 1.00 21.94 ? 92  GLN B CD  1 
ATOM   747  O OE1 . GLN A 1 86  ? -38.686 -21.819 -31.894 1.00 23.83 ? 92  GLN B OE1 1 
ATOM   748  N NE2 . GLN A 1 86  ? -40.381 -20.468 -32.468 1.00 24.02 ? 92  GLN B NE2 1 
ATOM   749  N N   . ARG A 1 87  ? -36.485 -17.175 -34.530 1.00 12.21 ? 93  ARG B N   1 
ATOM   750  C CA  . ARG A 1 87  ? -36.775 -15.721 -34.398 1.00 11.90 ? 93  ARG B CA  1 
ATOM   751  C C   . ARG A 1 87  ? -38.285 -15.487 -34.266 1.00 12.51 ? 93  ARG B C   1 
ATOM   752  O O   . ARG A 1 87  ? -38.670 -14.471 -33.643 1.00 13.27 ? 93  ARG B O   1 
ATOM   753  C CB  . ARG A 1 87  ? -36.255 -14.903 -35.559 1.00 13.04 ? 93  ARG B CB  1 
ATOM   754  C CG  . ARG A 1 87  ? -34.784 -15.111 -35.875 1.00 12.48 ? 93  ARG B CG  1 
ATOM   755  C CD  . ARG A 1 87  ? -33.859 -14.833 -34.667 1.00 12.46 ? 93  ARG B CD  1 
ATOM   756  N NE  . ARG A 1 87  ? -32.491 -15.296 -34.986 1.00 14.25 ? 93  ARG B NE  1 
ATOM   757  C CZ  . ARG A 1 87  ? -31.601 -14.581 -35.627 1.00 13.35 ? 93  ARG B CZ  1 
ATOM   758  N NH1 . ARG A 1 87  ? -31.882 -13.358 -36.009 1.00 15.12 ? 93  ARG B NH1 1 
ATOM   759  N NH2 . ARG A 1 87  ? -30.421 -15.084 -35.934 1.00 15.96 ? 93  ARG B NH2 1 
ATOM   760  N N   . LYS A 1 88  ? -39.135 -16.331 -34.858 1.00 12.82 ? 94  LYS B N   1 
ATOM   761  C CA  . LYS A 1 88  ? -40.600 -16.070 -34.986 1.00 13.01 ? 94  LYS B CA  1 
ATOM   762  C C   . LYS A 1 88  ? -41.377 -16.964 -34.057 1.00 14.25 ? 94  LYS B C   1 
ATOM   763  O O   . LYS A 1 88  ? -41.010 -18.160 -33.927 1.00 16.62 ? 94  LYS B O   1 
ATOM   764  C CB  . LYS A 1 88  ? -41.026 -16.268 -36.445 1.00 14.34 ? 94  LYS B CB  1 
ATOM   765  C CG  . LYS A 1 88  ? -40.224 -15.501 -37.458 1.00 15.81 ? 94  LYS B CG  1 
ATOM   766  C CD  . LYS A 1 88  ? -40.189 -13.996 -37.187 1.00 16.06 ? 94  LYS B CD  1 
ATOM   767  C CE  . LYS A 1 88  ? -39.433 -13.323 -38.290 1.00 16.63 ? 94  LYS B CE  1 
ATOM   768  N NZ  . LYS A 1 88  ? -39.299 -11.848 -38.145 1.00 17.37 ? 94  LYS B NZ  1 
ATOM   769  N N   . GLY A 1 89  ? -42.459 -16.481 -33.479 1.00 14.76 ? 95  GLY B N   1 
ATOM   770  C CA  . GLY A 1 89  ? -43.330 -17.311 -32.650 1.00 15.20 ? 95  GLY B CA  1 
ATOM   771  C C   . GLY A 1 89  ? -42.845 -17.444 -31.228 1.00 16.40 ? 95  GLY B C   1 
ATOM   772  O O   . GLY A 1 89  ? -41.854 -16.715 -30.803 1.00 16.65 ? 95  GLY B O   1 
ATOM   773  N N   . GLN A 1 90  ? -43.485 -18.335 -30.505 1.00 16.73 ? 96  GLN B N   1 
ATOM   774  C CA  . GLN A 1 90  ? -43.218 -18.546 -29.078 1.00 18.49 ? 96  GLN B CA  1 
ATOM   775  C C   . GLN A 1 90  ? -42.151 -19.608 -28.895 1.00 18.18 ? 96  GLN B C   1 
ATOM   776  O O   . GLN A 1 90  ? -42.062 -20.533 -29.693 1.00 19.09 ? 96  GLN B O   1 
ATOM   777  C CB  . GLN A 1 90  ? -44.509 -18.979 -28.378 1.00 21.78 ? 96  GLN B CB  1 
ATOM   778  C CG  . GLN A 1 90  ? -45.554 -17.889 -28.459 1.00 28.12 ? 96  GLN B CG  1 
ATOM   779  C CD  . GLN A 1 90  ? -46.904 -18.343 -27.992 1.00 37.27 ? 96  GLN B CD  1 
ATOM   780  O OE1 . GLN A 1 90  ? -47.167 -18.393 -26.791 1.00 46.29 ? 96  GLN B OE1 1 
ATOM   781  N NE2 . GLN A 1 90  ? -47.749 -18.691 -28.955 1.00 42.62 ? 96  GLN B NE2 1 
ATOM   782  N N   . PHE A 1 91  ? -41.283 -19.411 -27.909 1.00 15.33 ? 97  PHE B N   1 
ATOM   783  C CA  . PHE A 1 91  ? -40.247 -20.402 -27.560 1.00 14.82 ? 97  PHE B CA  1 
ATOM   784  C C   . PHE A 1 91  ? -39.738 -20.117 -26.163 1.00 14.56 ? 97  PHE B C   1 
ATOM   785  O O   . PHE A 1 91  ? -39.869 -19.021 -25.649 1.00 16.10 ? 97  PHE B O   1 
ATOM   786  C CB  . PHE A 1 91  ? -39.063 -20.375 -28.534 1.00 14.82 ? 97  PHE B CB  1 
ATOM   787  C CG  . PHE A 1 91  ? -38.434 -19.012 -28.696 1.00 13.82 ? 97  PHE B CG  1 
ATOM   788  C CD1 . PHE A 1 91  ? -37.427 -18.583 -27.827 1.00 14.69 ? 97  PHE B CD1 1 
ATOM   789  C CD2 . PHE A 1 91  ? -38.794 -18.159 -29.728 1.00 13.82 ? 97  PHE B CD2 1 
ATOM   790  C CE1 . PHE A 1 91  ? -36.827 -17.339 -27.965 1.00 13.76 ? 97  PHE B CE1 1 
ATOM   791  C CE2 . PHE A 1 91  ? -38.203 -16.906 -29.873 1.00 14.12 ? 97  PHE B CE2 1 
ATOM   792  C CZ  . PHE A 1 91  ? -37.206 -16.517 -29.003 1.00 14.19 ? 97  PHE B CZ  1 
ATOM   793  N N   A SER A 1 92  ? -39.179 -21.131 -25.509 0.25 14.95 ? 98  SER B N   1 
ATOM   794  N N   B SER A 1 92  ? -39.147 -21.153 -25.574 0.25 14.28 ? 98  SER B N   1 
ATOM   795  C CA  A SER A 1 92  ? -38.533 -20.977 -24.181 0.25 15.01 ? 98  SER B CA  1 
ATOM   796  C CA  B SER A 1 92  ? -38.479 -21.121 -24.251 0.25 14.12 ? 98  SER B CA  1 
ATOM   797  C C   A SER A 1 92  ? -37.022 -20.825 -24.356 0.25 13.30 ? 98  SER B C   1 
ATOM   798  C C   B SER A 1 92  ? -36.996 -20.770 -24.431 0.25 12.81 ? 98  SER B C   1 
ATOM   799  O O   A SER A 1 92  ? -36.429 -21.457 -25.247 0.25 12.83 ? 98  SER B O   1 
ATOM   800  O O   B SER A 1 92  ? -36.395 -21.134 -25.483 0.25 12.71 ? 98  SER B O   1 
ATOM   801  C CB  A SER A 1 92  ? -38.811 -22.134 -23.283 0.25 17.43 ? 98  SER B CB  1 
ATOM   802  C CB  B SER A 1 92  ? -38.649 -22.445 -23.542 0.25 14.99 ? 98  SER B CB  1 
ATOM   803  O OG  A SER A 1 92  ? -38.550 -23.332 -23.985 0.25 20.60 ? 98  SER B OG  1 
ATOM   804  O OG  B SER A 1 92  ? -40.019 -22.641 -23.183 0.25 17.24 ? 98  SER B OG  1 
ATOM   805  N N   . LEU A 1 93  ? -36.421 -20.056 -23.459 1.00 12.31 ? 99  LEU B N   1 
ATOM   806  C CA  . LEU A 1 93  ? -34.967 -19.895 -23.400 1.00 12.60 ? 99  LEU B CA  1 
ATOM   807  C C   . LEU A 1 93  ? -34.384 -21.088 -22.690 1.00 12.55 ? 99  LEU B C   1 
ATOM   808  O O   . LEU A 1 93  ? -34.485 -21.229 -21.477 1.00 14.84 ? 99  LEU B O   1 
ATOM   809  C CB  . LEU A 1 93  ? -34.603 -18.612 -22.664 1.00 12.98 ? 99  LEU B CB  1 
ATOM   810  C CG  . LEU A 1 93  ? -35.128 -17.329 -23.294 1.00 14.39 ? 99  LEU B CG  1 
ATOM   811  C CD1 . LEU A 1 93  ? -34.765 -16.099 -22.455 1.00 15.08 ? 99  LEU B CD1 1 
ATOM   812  C CD2 . LEU A 1 93  ? -34.587 -17.134 -24.691 1.00 15.83 ? 99  LEU B CD2 1 
ATOM   813  N N   . SER A 1 94  ? -33.691 -21.965 -23.421 1.00 11.78 ? 100 SER B N   1 
ATOM   814  C CA  . SER A 1 94  ? -33.108 -23.208 -22.883 1.00 12.23 ? 100 SER B CA  1 
ATOM   815  C C   . SER A 1 94  ? -31.903 -23.567 -23.734 1.00 10.84 ? 100 SER B C   1 
ATOM   816  O O   . SER A 1 94  ? -31.903 -23.243 -24.926 1.00 10.69 ? 100 SER B O   1 
ATOM   817  C CB  . SER A 1 94  ? -34.093 -24.372 -22.871 1.00 13.71 ? 100 SER B CB  1 
ATOM   818  O OG  . SER A 1 94  ? -34.432 -24.711 -24.206 1.00 16.46 ? 100 SER B OG  1 
ATOM   819  N N   . PRO A 1 95  ? -30.950 -24.324 -23.217 1.00 10.80 ? 101 PRO B N   1 
ATOM   820  C CA  . PRO A 1 95  ? -29.874 -24.844 -24.060 1.00 12.21 ? 101 PRO B CA  1 
ATOM   821  C C   . PRO A 1 95  ? -30.389 -25.737 -25.185 1.00 11.80 ? 101 PRO B C   1 
ATOM   822  O O   . PRO A 1 95  ? -29.833 -25.613 -26.314 1.00 12.27 ? 101 PRO B O   1 
ATOM   823  C CB  . PRO A 1 95  ? -28.976 -25.613 -23.083 1.00 12.48 ? 101 PRO B CB  1 
ATOM   824  C CG  . PRO A 1 95  ? -29.233 -24.886 -21.759 1.00 13.62 ? 101 PRO B CG  1 
ATOM   825  C CD  . PRO A 1 95  ? -30.707 -24.564 -21.797 1.00 12.18 ? 101 PRO B CD  1 
ATOM   826  N N   . GLU A 1 96  ? -31.469 -26.473 -24.995 1.00 12.59 ? 102 GLU B N   1 
ATOM   827  C CA  . GLU A 1 96  ? -32.032 -27.301 -26.087 1.00 15.07 ? 102 GLU B CA  1 
ATOM   828  C C   . GLU A 1 96  ? -32.421 -26.408 -27.265 1.00 14.43 ? 102 GLU B C   1 
ATOM   829  O O   . GLU A 1 96  ? -32.395 -26.852 -28.436 1.00 15.42 ? 102 GLU B O   1 
ATOM   830  C CB  . GLU A 1 96  ? -33.190 -28.119 -25.527 1.00 18.88 ? 102 GLU B CB  1 
ATOM   831  C CG  . GLU A 1 96  ? -32.801 -28.939 -24.314 1.00 27.21 ? 102 GLU B CG  1 
ATOM   832  C CD  . GLU A 1 96  ? -33.182 -28.360 -22.954 1.00 31.61 ? 102 GLU B CD  1 
ATOM   833  O OE1 . GLU A 1 96  ? -32.375 -27.547 -22.347 1.00 20.42 ? 102 GLU B OE1 1 
ATOM   834  O OE2 . GLU A 1 96  ? -34.280 -28.791 -22.458 1.00 40.11 ? 102 GLU B OE2 1 
ATOM   835  N N   . ASN A 1 97  ? -32.884 -25.181 -27.014 1.00 12.44 ? 103 ASN B N   1 
ATOM   836  C CA  . ASN A 1 97  ? -33.296 -24.244 -28.074 1.00 12.65 ? 103 ASN B CA  1 
ATOM   837  C C   . ASN A 1 97  ? -32.145 -23.331 -28.487 1.00 11.41 ? 103 ASN B C   1 
ATOM   838  O O   . ASN A 1 97  ? -32.354 -22.464 -29.345 1.00 12.12 ? 103 ASN B O   1 
ATOM   839  C CB  . ASN A 1 97  ? -34.513 -23.408 -27.633 1.00 13.45 ? 103 ASN B CB  1 
ATOM   840  C CG  . ASN A 1 97  ? -35.794 -24.189 -27.622 1.00 15.77 ? 103 ASN B CG  1 
ATOM   841  O OD1 . ASN A 1 97  ? -35.888 -25.278 -28.223 1.00 18.50 ? 103 ASN B OD1 1 
ATOM   842  N ND2 . ASN A 1 97  ? -36.764 -23.713 -26.859 1.00 16.70 ? 103 ASN B ND2 1 
ATOM   843  N N   . GLY A 1 98  ? -30.939 -23.507 -27.971 1.00 10.19 ? 104 GLY B N   1 
ATOM   844  C CA  . GLY A 1 98  ? -29.767 -22.729 -28.379 1.00 9.80  ? 104 GLY B CA  1 
ATOM   845  C C   . GLY A 1 98  ? -29.512 -21.441 -27.606 1.00 8.33  ? 104 GLY B C   1 
ATOM   846  O O   . GLY A 1 98  ? -28.866 -20.551 -28.103 1.00 9.22  ? 104 GLY B O   1 
ATOM   847  N N   . PHE A 1 99  ? -29.974 -21.402 -26.327 1.00 9.04  ? 105 PHE B N   1 
ATOM   848  C CA  . PHE A 1 99  ? -29.783 -20.216 -25.444 1.00 8.81  ? 105 PHE B CA  1 
ATOM   849  C C   . PHE A 1 99  ? -29.077 -20.578 -24.136 1.00 8.38  ? 105 PHE B C   1 
ATOM   850  O O   . PHE A 1 99  ? -29.524 -21.558 -23.510 1.00 9.69  ? 105 PHE B O   1 
ATOM   851  C CB  . PHE A 1 99  ? -31.126 -19.563 -25.091 1.00 9.21  ? 105 PHE B CB  1 
ATOM   852  C CG  . PHE A 1 99  ? -31.910 -19.037 -26.276 1.00 9.77  ? 105 PHE B CG  1 
ATOM   853  C CD1 . PHE A 1 99  ? -32.817 -19.853 -26.930 1.00 10.10 ? 105 PHE B CD1 1 
ATOM   854  C CD2 . PHE A 1 99  ? -31.786 -17.743 -26.738 1.00 9.73  ? 105 PHE B CD2 1 
ATOM   855  C CE1 . PHE A 1 99  ? -33.547 -19.398 -28.033 1.00 10.76 ? 105 PHE B CE1 1 
ATOM   856  C CE2 . PHE A 1 99  ? -32.525 -17.294 -27.817 1.00 10.48 ? 105 PHE B CE2 1 
ATOM   857  C CZ  . PHE A 1 99  ? -33.406 -18.116 -28.448 1.00 10.28 ? 105 PHE B CZ  1 
ATOM   858  N N   . TRP A 1 100 ? -28.147 -19.745 -23.722 1.00 7.79  ? 106 TRP B N   1 
ATOM   859  C CA  . TRP A 1 100 ? -27.469 -19.838 -22.408 1.00 8.17  ? 106 TRP B CA  1 
ATOM   860  C C   . TRP A 1 100 ? -27.611 -18.472 -21.742 1.00 7.37  ? 106 TRP B C   1 
ATOM   861  O O   . TRP A 1 100 ? -26.883 -17.546 -22.042 1.00 8.43  ? 106 TRP B O   1 
ATOM   862  C CB  . TRP A 1 100 ? -26.012 -20.288 -22.564 1.00 8.52  ? 106 TRP B CB  1 
ATOM   863  C CG  . TRP A 1 100 ? -25.903 -21.658 -23.173 1.00 8.51  ? 106 TRP B CG  1 
ATOM   864  C CD1 . TRP A 1 100 ? -25.810 -22.862 -22.530 1.00 10.05 ? 106 TRP B CD1 1 
ATOM   865  C CD2 . TRP A 1 100 ? -25.939 -21.984 -24.584 1.00 9.07  ? 106 TRP B CD2 1 
ATOM   866  N NE1 . TRP A 1 100 ? -25.856 -23.910 -23.432 1.00 10.04 ? 106 TRP B NE1 1 
ATOM   867  C CE2 . TRP A 1 100 ? -25.898 -23.390 -24.693 1.00 10.07 ? 106 TRP B CE2 1 
ATOM   868  C CE3 . TRP A 1 100 ? -26.004 -21.229 -25.761 1.00 9.59  ? 106 TRP B CE3 1 
ATOM   869  C CZ2 . TRP A 1 100 ? -25.965 -24.033 -25.949 1.00 11.10 ? 106 TRP B CZ2 1 
ATOM   870  C CZ3 . TRP A 1 100 ? -26.040 -21.890 -26.988 1.00 11.01 ? 106 TRP B CZ3 1 
ATOM   871  C CH2 . TRP A 1 100 ? -26.073 -23.249 -27.057 1.00 11.59 ? 106 TRP B CH2 1 
ATOM   872  N N   . THR A 1 101 ? -28.597 -18.378 -20.837 1.00 7.90  ? 107 THR B N   1 
ATOM   873  C CA  . THR A 1 101 ? -29.119 -17.082 -20.351 1.00 8.08  ? 107 THR B CA  1 
ATOM   874  C C   . THR A 1 101 ? -29.450 -17.151 -18.852 1.00 7.70  ? 107 THR B C   1 
ATOM   875  O O   . THR A 1 101 ? -29.732 -18.222 -18.318 1.00 8.40  ? 107 THR B O   1 
ATOM   876  C CB  . THR A 1 101 ? -30.376 -16.643 -21.126 1.00 8.79  ? 107 THR B CB  1 
ATOM   877  O OG1 . THR A 1 101 ? -31.446 -17.548 -20.909 1.00 9.58  ? 107 THR B OG1 1 
ATOM   878  C CG2 . THR A 1 101 ? -30.103 -16.420 -22.602 1.00 9.01  ? 107 THR B CG2 1 
ATOM   879  N N   . ILE A 1 102 ? -29.498 -15.971 -18.265 1.00 8.29  ? 108 ILE B N   1 
ATOM   880  C CA  . ILE A 1 102 ? -30.142 -15.752 -16.925 1.00 8.39  ? 108 ILE B CA  1 
ATOM   881  C C   . ILE A 1 102 ? -31.156 -14.628 -17.110 1.00 8.32  ? 108 ILE B C   1 
ATOM   882  O O   . ILE A 1 102 ? -31.101 -13.844 -18.100 1.00 8.91  ? 108 ILE B O   1 
ATOM   883  C CB  . ILE A 1 102 ? -29.126 -15.434 -15.818 1.00 9.08  ? 108 ILE B CB  1 
ATOM   884  C CG1 . ILE A 1 102 ? -28.427 -14.090 -16.021 1.00 9.66  ? 108 ILE B CG1 1 
ATOM   885  C CG2 . ILE A 1 102 ? -28.124 -16.583 -15.711 1.00 9.67  ? 108 ILE B CG2 1 
ATOM   886  C CD1 . ILE A 1 102 ? -27.618 -13.601 -14.817 1.00 10.61 ? 108 ILE B CD1 1 
ATOM   887  N N   . TRP A 1 103 ? -32.026 -14.479 -16.133 1.00 8.52  ? 109 TRP B N   1 
ATOM   888  C CA  . TRP A 1 103 ? -33.056 -13.431 -16.183 1.00 9.05  ? 109 TRP B CA  1 
ATOM   889  C C   . TRP A 1 103 ? -33.438 -12.939 -14.818 1.00 9.27  ? 109 TRP B C   1 
ATOM   890  O O   . TRP A 1 103 ? -33.262 -13.624 -13.789 1.00 9.61  ? 109 TRP B O   1 
ATOM   891  C CB  . TRP A 1 103 ? -34.243 -13.848 -16.977 1.00 11.67 ? 109 TRP B CB  1 
ATOM   892  C CG  . TRP A 1 103 ? -35.007 -14.987 -16.477 1.00 13.75 ? 109 TRP B CG  1 
ATOM   893  C CD1 . TRP A 1 103 ? -35.907 -14.997 -15.458 1.00 14.23 ? 109 TRP B CD1 1 
ATOM   894  C CD2 . TRP A 1 103 ? -35.115 -16.233 -17.145 1.00 13.82 ? 109 TRP B CD2 1 
ATOM   895  N NE1 . TRP A 1 103 ? -36.530 -16.203 -15.407 1.00 17.21 ? 109 TRP B NE1 1 
ATOM   896  C CE2 . TRP A 1 103 ? -36.075 -16.987 -16.431 1.00 15.16 ? 109 TRP B CE2 1 
ATOM   897  C CE3 . TRP A 1 103 ? -34.480 -16.776 -18.251 1.00 15.47 ? 109 TRP B CE3 1 
ATOM   898  C CZ2 . TRP A 1 103 ? -36.411 -18.291 -16.798 1.00 18.44 ? 109 TRP B CZ2 1 
ATOM   899  C CZ3 . TRP A 1 103 ? -34.841 -18.045 -18.627 1.00 16.88 ? 109 TRP B CZ3 1 
ATOM   900  C CH2 . TRP A 1 103 ? -35.775 -18.774 -17.917 1.00 17.02 ? 109 TRP B CH2 1 
ATOM   901  N N   . LEU A 1 104 ? -34.068 -11.753 -14.820 1.00 9.01  ? 110 LEU B N   1 
ATOM   902  C CA  . LEU A 1 104 ? -34.844 -11.208 -13.688 1.00 8.94  ? 110 LEU B CA  1 
ATOM   903  C C   . LEU A 1 104 ? -36.291 -11.176 -14.114 1.00 8.90  ? 110 LEU B C   1 
ATOM   904  O O   . LEU A 1 104 ? -36.616 -10.692 -15.191 1.00 9.68  ? 110 LEU B O   1 
ATOM   905  C CB  . LEU A 1 104 ? -34.385 -9.801  -13.397 1.00 9.81  ? 110 LEU B CB  1 
ATOM   906  C CG  . LEU A 1 104 ? -35.211 -9.023  -12.365 1.00 10.66 ? 110 LEU B CG  1 
ATOM   907  C CD1 . LEU A 1 104 ? -35.242 -9.675  -10.991 1.00 10.97 ? 110 LEU B CD1 1 
ATOM   908  C CD2 . LEU A 1 104 ? -34.720 -7.594  -12.279 1.00 12.17 ? 110 LEU B CD2 1 
ATOM   909  N N   . TRP A 1 105 ? -37.182 -11.630 -13.223 1.00 10.42 ? 111 TRP B N   1 
ATOM   910  C CA  . TRP A 1 105 ? -38.636 -11.608 -13.459 1.00 11.46 ? 111 TRP B CA  1 
ATOM   911  C C   . TRP A 1 105 ? -39.324 -11.652 -12.103 1.00 12.43 ? 111 TRP B C   1 
ATOM   912  O O   . TRP A 1 105 ? -39.050 -12.559 -11.298 1.00 13.12 ? 111 TRP B O   1 
ATOM   913  C CB  . TRP A 1 105 ? -39.019 -12.834 -14.278 1.00 15.35 ? 111 TRP B CB  1 
ATOM   914  C CG  . TRP A 1 105 ? -40.464 -13.093 -14.385 1.00 18.02 ? 111 TRP B CG  1 
ATOM   915  C CD1 . TRP A 1 105 ? -41.226 -14.085 -13.826 1.00 20.06 ? 111 TRP B CD1 1 
ATOM   916  C CD2 . TRP A 1 105 ? -41.303 -12.301 -15.199 1.00 18.83 ? 111 TRP B CD2 1 
ATOM   917  N NE1 . TRP A 1 105 ? -42.503 -13.930 -14.244 1.00 20.21 ? 111 TRP B NE1 1 
ATOM   918  C CE2 . TRP A 1 105 ? -42.593 -12.853 -15.085 1.00 17.30 ? 111 TRP B CE2 1 
ATOM   919  C CE3 . TRP A 1 105 ? -41.107 -11.187 -16.016 1.00 17.66 ? 111 TRP B CE3 1 
ATOM   920  C CZ2 . TRP A 1 105 ? -43.692 -12.336 -15.758 1.00 21.98 ? 111 TRP B CZ2 1 
ATOM   921  C CZ3 . TRP A 1 105 ? -42.201 -10.649 -16.650 1.00 23.79 ? 111 TRP B CZ3 1 
ATOM   922  C CH2 . TRP A 1 105 ? -43.478 -11.201 -16.510 1.00 23.59 ? 111 TRP B CH2 1 
ATOM   923  N N   . GLN A 1 106 ? -40.203 -10.670 -11.824 1.00 11.64 ? 112 GLN B N   1 
ATOM   924  C CA  . GLN A 1 106 ? -41.056 -10.695 -10.590 1.00 11.89 ? 112 GLN B CA  1 
ATOM   925  C C   . GLN A 1 106 ? -40.156 -10.879 -9.398  1.00 13.14 ? 112 GLN B C   1 
ATOM   926  O O   . GLN A 1 106 ? -40.510 -11.716 -8.491  1.00 15.04 ? 112 GLN B O   1 
ATOM   927  C CB  . GLN A 1 106 ? -42.166 -11.718 -10.730 1.00 12.93 ? 112 GLN B CB  1 
ATOM   928  C CG  . GLN A 1 106 ? -43.094 -11.356 -11.863 1.00 14.37 ? 112 GLN B CG  1 
ATOM   929  C CD  . GLN A 1 106 ? -44.353 -12.184 -11.943 1.00 15.53 ? 112 GLN B CD  1 
ATOM   930  O OE1 . GLN A 1 106 ? -45.284 -11.848 -12.691 1.00 18.66 ? 112 GLN B OE1 1 
ATOM   931  N NE2 . GLN A 1 106 ? -44.429 -13.269 -11.190 1.00 15.50 ? 112 GLN B NE2 1 
ATOM   932  N N   . ASP A 1 107 ? -39.143 -10.076 -9.272  1.00 13.64 ? 113 ASP B N   1 
ATOM   933  C CA  . ASP A 1 107 ? -38.340 -9.976  -8.059  1.00 17.28 ? 113 ASP B CA  1 
ATOM   934  C C   . ASP A 1 107 ? -37.519 -11.247 -7.788  1.00 18.50 ? 113 ASP B C   1 
ATOM   935  O O   . ASP A 1 107 ? -36.906 -11.305 -6.685  1.00 24.67 ? 113 ASP B O   1 
ATOM   936  C CB  . ASP A 1 107 ? -39.304 -9.670  -6.909  1.00 20.77 ? 113 ASP B CB  1 
ATOM   937  C CG  . ASP A 1 107 ? -38.637 -9.090  -5.710  1.00 28.14 ? 113 ASP B CG  1 
ATOM   938  O OD1 . ASP A 1 107 ? -37.699 -8.258  -5.869  1.00 31.63 ? 113 ASP B OD1 1 
ATOM   939  O OD2 . ASP A 1 107 ? -39.119 -9.442  -4.594  1.00 35.87 ? 113 ASP B OD2 1 
ATOM   940  N N   . SER A 1 108 ? -37.355 -12.147 -8.754  1.00 14.36 ? 114 SER B N   1 
ATOM   941  C CA  . SER A 1 108 ? -36.464 -13.330 -8.597  1.00 15.58 ? 114 SER B CA  1 
ATOM   942  C C   . SER A 1 108 ? -35.568 -13.446 -9.827  1.00 12.90 ? 114 SER B C   1 
ATOM   943  O O   . SER A 1 108 ? -35.964 -13.112 -10.993 1.00 12.93 ? 114 SER B O   1 
ATOM   944  C CB  . SER A 1 108 ? -37.283 -14.540 -8.227  1.00 18.40 ? 114 SER B CB  1 
ATOM   945  O OG  . SER A 1 108 ? -37.963 -15.079 -9.314  1.00 27.64 ? 114 SER B OG  1 
ATOM   946  N N   . TYR A 1 109 ? -34.383 -13.953 -9.591  1.00 11.44 ? 115 TYR B N   1 
ATOM   947  C CA  . TYR A 1 109 ? -33.377 -14.245 -10.646 1.00 10.81 ? 115 TYR B CA  1 
ATOM   948  C C   . TYR A 1 109 ? -33.341 -15.735 -10.907 1.00 10.33 ? 115 TYR B C   1 
ATOM   949  O O   . TYR A 1 109 ? -33.345 -16.550 -9.942  1.00 11.36 ? 115 TYR B O   1 
ATOM   950  C CB  . TYR A 1 109 ? -32.026 -13.726 -10.213 1.00 10.96 ? 115 TYR B CB  1 
ATOM   951  C CG  . TYR A 1 109 ? -31.960 -12.219 -9.992  1.00 11.38 ? 115 TYR B CG  1 
ATOM   952  C CD1 . TYR A 1 109 ? -32.224 -11.672 -8.732  1.00 12.09 ? 115 TYR B CD1 1 
ATOM   953  C CD2 . TYR A 1 109 ? -31.597 -11.347 -11.003 1.00 11.17 ? 115 TYR B CD2 1 
ATOM   954  C CE1 . TYR A 1 109 ? -32.144 -10.301 -8.511  1.00 12.88 ? 115 TYR B CE1 1 
ATOM   955  C CE2 . TYR A 1 109 ? -31.529 -9.978  -10.796 1.00 11.50 ? 115 TYR B CE2 1 
ATOM   956  C CZ  . TYR A 1 109 ? -31.777 -9.459  -9.539  1.00 11.66 ? 115 TYR B CZ  1 
ATOM   957  O OH  . TYR A 1 109 ? -31.776 -8.092  -9.298  1.00 12.97 ? 115 TYR B OH  1 
ATOM   958  N N   A GLU A 1 110 ? -33.286 -16.136 -12.183 0.25 10.52 ? 116 GLU B N   1 
ATOM   959  N N   B GLU A 1 110 ? -33.354 -16.131 -12.190 0.25 10.09 ? 116 GLU B N   1 
ATOM   960  C CA  A GLU A 1 110 ? -33.297 -17.571 -12.558 0.25 10.92 ? 116 GLU B CA  1 
ATOM   961  C CA  B GLU A 1 110 ? -33.330 -17.550 -12.619 0.25 10.17 ? 116 GLU B CA  1 
ATOM   962  C C   A GLU A 1 110 ? -32.379 -17.805 -13.758 0.25 9.64  ? 116 GLU B C   1 
ATOM   963  C C   B GLU A 1 110 ? -32.242 -17.734 -13.687 0.25 9.07  ? 116 GLU B C   1 
ATOM   964  O O   A GLU A 1 110 ? -32.301 -16.958 -14.648 0.25 9.17  ? 116 GLU B O   1 
ATOM   965  O O   B GLU A 1 110 ? -31.876 -16.760 -14.410 0.25 8.20  ? 116 GLU B O   1 
ATOM   966  C CB  A GLU A 1 110 ? -34.713 -18.038 -12.864 0.25 12.73 ? 116 GLU B CB  1 
ATOM   967  C CB  B GLU A 1 110 ? -34.691 -17.982 -13.164 0.25 11.28 ? 116 GLU B CB  1 
ATOM   968  C CG  A GLU A 1 110 ? -35.669 -17.911 -11.676 0.25 15.13 ? 116 GLU B CG  1 
ATOM   969  C CG  B GLU A 1 110 ? -35.840 -17.894 -12.153 0.25 13.50 ? 116 GLU B CG  1 
ATOM   970  C CD  A GLU A 1 110 ? -37.093 -18.289 -12.032 0.25 17.36 ? 116 GLU B CD  1 
ATOM   971  C CD  B GLU A 1 110 ? -35.977 -19.082 -11.204 0.25 13.79 ? 116 GLU B CD  1 
ATOM   972  O OE1 A GLU A 1 110 ? -37.517 -17.980 -13.161 0.25 20.20 ? 116 GLU B OE1 1 
ATOM   973  O OE1 B GLU A 1 110 ? -35.496 -20.200 -11.544 0.25 17.32 ? 116 GLU B OE1 1 
ATOM   974  O OE2 A GLU A 1 110 ? -37.774 -18.902 -11.180 0.25 19.07 ? 116 GLU B OE2 1 
ATOM   975  O OE2 B GLU A 1 110 ? -36.617 -18.914 -10.156 0.25 18.58 ? 116 GLU B OE2 1 
ATOM   976  N N   . ALA A 1 111 ? -31.728 -18.967 -13.782 1.00 9.29  ? 117 ALA B N   1 
ATOM   977  C CA  . ALA A 1 111 ? -30.974 -19.412 -14.969 1.00 9.52  ? 117 ALA B CA  1 
ATOM   978  C C   . ALA A 1 111 ? -31.903 -20.152 -15.906 1.00 9.38  ? 117 ALA B C   1 
ATOM   979  O O   . ALA A 1 111 ? -32.765 -20.947 -15.493 1.00 9.82  ? 117 ALA B O   1 
ATOM   980  C CB  . ALA A 1 111 ? -29.794 -20.308 -14.593 1.00 9.46  ? 117 ALA B CB  1 
ATOM   981  N N   . GLY A 1 112 ? -31.727 -19.897 -17.216 1.00 9.65  ? 118 GLY B N   1 
ATOM   982  C CA  . GLY A 1 112 ? -32.530 -20.469 -18.299 1.00 10.67 ? 118 GLY B CA  1 
ATOM   983  C C   . GLY A 1 112 ? -32.139 -21.883 -18.607 1.00 10.79 ? 118 GLY B C   1 
ATOM   984  O O   . GLY A 1 112 ? -31.862 -22.260 -19.735 1.00 13.29 ? 118 GLY B O   1 
ATOM   985  N N   . THR A 1 113 ? -32.102 -22.779 -17.636 1.00 13.20 ? 119 THR B N   1 
ATOM   986  C CA  . THR A 1 113 ? -32.114 -24.232 -17.834 1.00 14.19 ? 119 THR B CA  1 
ATOM   987  C C   . THR A 1 113 ? -33.547 -24.695 -18.082 1.00 14.12 ? 119 THR B C   1 
ATOM   988  O O   . THR A 1 113 ? -34.470 -23.915 -17.900 1.00 16.52 ? 119 THR B O   1 
ATOM   989  C CB  . THR A 1 113 ? -31.502 -24.861 -16.603 1.00 12.22 ? 119 THR B CB  1 
ATOM   990  O OG1 . THR A 1 113 ? -32.209 -24.420 -15.424 1.00 12.31 ? 119 THR B OG1 1 
ATOM   991  C CG2 . THR A 1 113 ? -30.069 -24.519 -16.392 1.00 13.73 ? 119 THR B CG2 1 
ATOM   992  N N   . SER A 1 114 ? -33.736 -25.976 -18.419 1.00 17.86 ? 120 SER B N   1 
ATOM   993  C CA  . SER A 1 114 ? -35.088 -26.537 -18.573 1.00 20.49 ? 120 SER B CA  1 
ATOM   994  C C   . SER A 1 114 ? -35.254 -27.736 -17.638 1.00 22.32 ? 120 SER B C   1 
ATOM   995  O O   . SER A 1 114 ? -34.613 -28.769 -17.818 1.00 23.52 ? 120 SER B O   1 
ATOM   996  C CB  . SER A 1 114 ? -35.374 -26.876 -20.037 1.00 25.40 ? 120 SER B CB  1 
ATOM   997  O OG  . SER A 1 114 ? -36.722 -27.343 -20.192 1.00 29.19 ? 120 SER B OG  1 
ATOM   998  N N   . PRO A 1 115 ? -36.012 -27.598 -16.533 1.00 19.31 ? 121 PRO B N   1 
ATOM   999  C CA  . PRO A 1 115 ? -36.696 -26.380 -16.144 1.00 20.02 ? 121 PRO B CA  1 
ATOM   1000 C C   . PRO A 1 115 ? -35.707 -25.375 -15.524 1.00 15.37 ? 121 PRO B C   1 
ATOM   1001 O O   . PRO A 1 115 ? -34.555 -25.693 -15.240 1.00 14.99 ? 121 PRO B O   1 
ATOM   1002 C CB  . PRO A 1 115 ? -37.715 -26.854 -15.116 1.00 23.12 ? 121 PRO B CB  1 
ATOM   1003 C CG  . PRO A 1 115 ? -36.991 -27.961 -14.428 1.00 22.70 ? 121 PRO B CG  1 
ATOM   1004 C CD  . PRO A 1 115 ? -36.191 -28.660 -15.516 1.00 22.02 ? 121 PRO B CD  1 
ATOM   1005 N N   . GLN A 1 116 ? -36.166 -24.156 -15.336 1.00 14.54 ? 122 GLN B N   1 
ATOM   1006 C CA  . GLN A 1 116 ? -35.316 -23.044 -14.849 1.00 13.94 ? 122 GLN B CA  1 
ATOM   1007 C C   . GLN A 1 116 ? -34.774 -23.311 -13.430 1.00 12.21 ? 122 GLN B C   1 
ATOM   1008 O O   . GLN A 1 116 ? -35.422 -24.059 -12.656 1.00 13.90 ? 122 GLN B O   1 
ATOM   1009 C CB  . GLN A 1 116 ? -36.041 -21.700 -14.944 1.00 17.73 ? 122 GLN B CB  1 
ATOM   1010 C CG  . GLN A 1 116 ? -37.141 -21.502 -13.937 1.00 25.26 ? 122 GLN B CG  1 
ATOM   1011 C CD  . GLN A 1 116 ? -38.513 -21.574 -14.549 1.00 35.47 ? 122 GLN B CD  1 
ATOM   1012 O OE1 . GLN A 1 116 ? -38.808 -22.431 -15.390 1.00 44.11 ? 122 GLN B OE1 1 
ATOM   1013 N NE2 . GLN A 1 116 ? -39.371 -20.680 -14.088 1.00 41.89 ? 122 GLN B NE2 1 
ATOM   1014 N N   . THR A 1 117 ? -33.657 -22.700 -13.137 1.00 10.74 ? 123 THR B N   1 
ATOM   1015 C CA  . THR A 1 117 ? -32.955 -22.887 -11.858 1.00 10.95 ? 123 THR B CA  1 
ATOM   1016 C C   . THR A 1 117 ? -32.963 -21.582 -11.080 1.00 10.70 ? 123 THR B C   1 
ATOM   1017 O O   . THR A 1 117 ? -32.485 -20.554 -11.569 1.00 11.66 ? 123 THR B O   1 
ATOM   1018 C CB  . THR A 1 117 ? -31.519 -23.364 -12.114 1.00 10.46 ? 123 THR B CB  1 
ATOM   1019 O OG1 . THR A 1 117 ? -31.548 -24.599 -12.830 1.00 11.71 ? 123 THR B OG1 1 
ATOM   1020 C CG2 . THR A 1 117 ? -30.753 -23.582 -10.831 1.00 11.75 ? 123 THR B CG2 1 
ATOM   1021 N N   . THR A 1 118 ? -33.358 -21.639 -9.813  1.00 11.21 ? 124 THR B N   1 
ATOM   1022 C CA  . THR A 1 118 ? -33.318 -20.493 -8.889  1.00 12.17 ? 124 THR B CA  1 
ATOM   1023 C C   . THR A 1 118 ? -31.899 -20.015 -8.646  1.00 11.29 ? 124 THR B C   1 
ATOM   1024 O O   . THR A 1 118 ? -30.982 -20.876 -8.388  1.00 13.47 ? 124 THR B O   1 
ATOM   1025 C CB  . THR A 1 118 ? -33.950 -20.942 -7.556  1.00 15.19 ? 124 THR B CB  1 
ATOM   1026 O OG1 . THR A 1 118 ? -35.315 -21.265 -7.823  1.00 18.22 ? 124 THR B OG1 1 
ATOM   1027 C CG2 . THR A 1 118 ? -33.707 -19.912 -6.469  1.00 17.75 ? 124 THR B CG2 1 
ATOM   1028 N N   . LEU A 1 119 ? -31.647 -18.725 -8.745  1.00 10.64 ? 125 LEU B N   1 
ATOM   1029 C CA  . LEU A 1 119 ? -30.363 -18.128 -8.433  1.00 10.10 ? 125 LEU B CA  1 
ATOM   1030 C C   . LEU A 1 119 ? -30.440 -17.525 -7.033  1.00 11.77 ? 125 LEU B C   1 
ATOM   1031 O O   . LEU A 1 119 ? -31.574 -17.269 -6.524  1.00 16.16 ? 125 LEU B O   1 
ATOM   1032 C CB  . LEU A 1 119 ? -29.927 -17.059 -9.444  1.00 10.46 ? 125 LEU B CB  1 
ATOM   1033 C CG  . LEU A 1 119 ? -29.860 -17.571 -10.889 1.00 9.73  ? 125 LEU B CG  1 
ATOM   1034 C CD1 . LEU A 1 119 ? -29.611 -16.453 -11.891 1.00 10.89 ? 125 LEU B CD1 1 
ATOM   1035 C CD2 . LEU A 1 119 ? -28.797 -18.659 -11.043 1.00 10.85 ? 125 LEU B CD2 1 
ATOM   1036 N N   . HIS A 1 120 ? -29.315 -17.398 -6.382  1.00 11.16 ? 126 HIS B N   1 
ATOM   1037 C CA  . HIS A 1 120 ? -29.182 -16.945 -4.959  1.00 11.87 ? 126 HIS B CA  1 
ATOM   1038 C C   . HIS A 1 120 ? -28.367 -15.667 -4.988  1.00 13.78 ? 126 HIS B C   1 
ATOM   1039 O O   . HIS A 1 120 ? -27.109 -15.706 -5.083  1.00 18.03 ? 126 HIS B O   1 
ATOM   1040 C CB  . HIS A 1 120 ? -28.513 -18.038 -4.085  1.00 12.89 ? 126 HIS B CB  1 
ATOM   1041 C CG  . HIS A 1 120 ? -29.271 -19.313 -4.056  1.00 13.08 ? 126 HIS B CG  1 
ATOM   1042 N ND1 . HIS A 1 120 ? -28.946 -20.371 -4.893  1.00 14.62 ? 126 HIS B ND1 1 
ATOM   1043 C CD2 . HIS A 1 120 ? -30.317 -19.716 -3.338  1.00 14.99 ? 126 HIS B CD2 1 
ATOM   1044 C CE1 . HIS A 1 120 ? -29.787 -21.350 -4.681  1.00 15.67 ? 126 HIS B CE1 1 
ATOM   1045 N NE2 . HIS A 1 120 ? -30.633 -21.010 -3.707  1.00 14.80 ? 126 HIS B NE2 1 
ATOM   1046 N N   . ILE A 1 121 ? -29.021 -14.528 -5.071  1.00 16.03 ? 127 ILE B N   1 
ATOM   1047 C CA  . ILE A 1 121 ? -28.346 -13.212 -5.205  1.00 17.72 ? 127 ILE B CA  1 
ATOM   1048 C C   . ILE A 1 121 ? -28.767 -12.361 -3.975  1.00 17.99 ? 127 ILE B C   1 
ATOM   1049 O O   . ILE A 1 121 ? -29.967 -12.140 -3.746  1.00 24.50 ? 127 ILE B O   1 
ATOM   1050 C CB  . ILE A 1 121 ? -28.688 -12.551 -6.566  1.00 18.42 ? 127 ILE B CB  1 
ATOM   1051 C CG1 . ILE A 1 121 ? -28.190 -13.404 -7.753  1.00 17.76 ? 127 ILE B CG1 1 
ATOM   1052 C CG2 . ILE A 1 121 ? -28.167 -11.112 -6.561  1.00 22.86 ? 127 ILE B CG2 1 
ATOM   1053 C CD1 . ILE A 1 121 ? -28.397 -12.818 -9.143  1.00 18.38 ? 127 ILE B CD1 1 
ATOM   1054 N N   . GLN A 1 122 ? -27.805 -12.015 -3.141  1.00 20.23 ? 128 GLN B N   1 
ATOM   1055 C CA  . GLN A 1 122 ? -28.038 -11.195 -1.914  1.00 22.22 ? 128 GLN B CA  1 
ATOM   1056 C C   . GLN A 1 122 ? -28.008 -9.705  -2.280  1.00 20.89 ? 128 GLN B C   1 
ATOM   1057 O O   . GLN A 1 122 ? -28.772 -8.912  -1.656  1.00 21.32 ? 128 GLN B O   1 
ATOM   1058 C CB  . GLN A 1 122 ? -26.956 -11.523 -0.873  1.00 25.18 ? 128 GLN B CB  1 
ATOM   1059 C CG  . GLN A 1 122 ? -27.050 -10.728 0.432   1.00 31.00 ? 128 GLN B CG  1 
ATOM   1060 C CD  . GLN A 1 122 ? -28.322 -10.994 1.209   1.00 35.80 ? 128 GLN B CD  1 
ATOM   1061 O OE1 . GLN A 1 122 ? -28.959 -12.035 1.066   1.00 44.36 ? 128 GLN B OE1 1 
ATOM   1062 N NE2 . GLN A 1 122 ? -28.710 -10.043 2.047   1.00 38.89 ? 128 GLN B NE2 1 
ATOM   1063 N N   . VAL A 1 123 ? -27.193 -9.313  -3.251  1.00 18.21 ? 129 VAL B N   1 
ATOM   1064 C CA  . VAL A 1 123 ? -27.006 -7.885  -3.665  1.00 17.17 ? 129 VAL B CA  1 
ATOM   1065 C C   . VAL A 1 123 ? -27.565 -7.715  -5.074  1.00 16.41 ? 129 VAL B C   1 
ATOM   1066 O O   . VAL A 1 123 ? -26.937 -8.203  -6.029  1.00 15.13 ? 129 VAL B O   1 
ATOM   1067 C CB  . VAL A 1 123 ? -25.530 -7.491  -3.623  1.00 18.45 ? 129 VAL B CB  1 
ATOM   1068 C CG1 . VAL A 1 123 ? -25.310 -6.063  -4.146  1.00 19.90 ? 129 VAL B CG1 1 
ATOM   1069 C CG2 . VAL A 1 123 ? -24.972 -7.631  -2.208  1.00 20.88 ? 129 VAL B CG2 1 
ATOM   1070 N N   . PRO A 1 124 ? -28.786 -7.180  -5.279  1.00 15.12 ? 130 PRO B N   1 
ATOM   1071 C CA  . PRO A 1 124 ? -29.314 -7.065  -6.647  1.00 15.06 ? 130 PRO B CA  1 
ATOM   1072 C C   . PRO A 1 124 ? -28.330 -6.379  -7.556  1.00 14.57 ? 130 PRO B C   1 
ATOM   1073 O O   . PRO A 1 124 ? -27.815 -5.311  -7.284  1.00 15.15 ? 130 PRO B O   1 
ATOM   1074 C CB  . PRO A 1 124 ? -30.559 -6.174  -6.456  1.00 18.25 ? 130 PRO B CB  1 
ATOM   1075 C CG  . PRO A 1 124 ? -31.016 -6.561  -5.043  1.00 19.67 ? 130 PRO B CG  1 
ATOM   1076 C CD  . PRO A 1 124 ? -29.743 -6.670  -4.265  1.00 18.42 ? 130 PRO B CD  1 
ATOM   1077 N N   . PRO A 1 125 ? -27.955 -7.005  -8.688  1.00 13.12 ? 131 PRO B N   1 
ATOM   1078 C CA  . PRO A 1 125 ? -26.956 -6.411  -9.546  1.00 12.87 ? 131 PRO B CA  1 
ATOM   1079 C C   . PRO A 1 125 ? -27.475 -5.201  -10.328 1.00 12.72 ? 131 PRO B C   1 
ATOM   1080 O O   . PRO A 1 125 ? -28.565 -5.241  -10.865 1.00 13.60 ? 131 PRO B O   1 
ATOM   1081 C CB  . PRO A 1 125 ? -26.549 -7.573  -10.481 1.00 13.75 ? 131 PRO B CB  1 
ATOM   1082 C CG  . PRO A 1 125 ? -27.687 -8.509  -10.425 1.00 15.14 ? 131 PRO B CG  1 
ATOM   1083 C CD  . PRO A 1 125 ? -28.278 -8.400  -9.053  1.00 14.26 ? 131 PRO B CD  1 
ATOM   1084 N N   . CYS A 1 126 ? -26.596 -4.225  -10.459 1.00 12.58 ? 132 CYS B N   1 
ATOM   1085 C CA  . CYS A 1 126 ? -26.791 -3.120  -11.427 1.00 13.10 ? 132 CYS B CA  1 
ATOM   1086 C C   . CYS A 1 126 ? -25.985 -3.342  -12.708 1.00 12.42 ? 132 CYS B C   1 
ATOM   1087 O O   . CYS A 1 126 ? -26.285 -2.754  -13.743 1.00 11.80 ? 132 CYS B O   1 
ATOM   1088 C CB  . CYS A 1 126 ? -26.402 -1.791  -10.815 1.00 14.96 ? 132 CYS B CB  1 
ATOM   1089 S SG  . CYS A 1 126 ? -27.364 -1.342  -9.344  1.00 21.63 ? 132 CYS B SG  1 
ATOM   1090 N N   A GLN A 1 127 ? -24.899 -4.128  -12.654 0.25 12.16 ? 133 GLN B N   1 
ATOM   1091 N N   B GLN A 1 127 ? -25.024 -4.260  -12.626 0.25 12.85 ? 133 GLN B N   1 
ATOM   1092 C CA  A GLN A 1 127 ? -24.173 -4.572  -13.882 0.25 12.57 ? 133 GLN B CA  1 
ATOM   1093 C CA  B GLN A 1 127 ? -24.149 -4.613  -13.765 0.25 13.95 ? 133 GLN B CA  1 
ATOM   1094 C C   A GLN A 1 127 ? -23.793 -6.052  -13.755 0.25 11.44 ? 133 GLN B C   1 
ATOM   1095 C C   B GLN A 1 127 ? -23.903 -6.122  -13.713 0.25 12.22 ? 133 GLN B C   1 
ATOM   1096 O O   A GLN A 1 127 ? -23.356 -6.480  -12.658 0.25 10.45 ? 133 GLN B O   1 
ATOM   1097 O O   B GLN A 1 127 ? -23.787 -6.679  -12.603 0.25 11.09 ? 133 GLN B O   1 
ATOM   1098 C CB  A GLN A 1 127 ? -22.883 -3.798  -14.192 0.25 13.60 ? 133 GLN B CB  1 
ATOM   1099 C CB  B GLN A 1 127 ? -22.863 -3.787  -13.721 0.25 16.45 ? 133 GLN B CB  1 
ATOM   1100 C CG  A GLN A 1 127 ? -23.046 -2.297  -14.398 0.25 14.51 ? 133 GLN B CG  1 
ATOM   1101 C CG  B GLN A 1 127 ? -23.091 -2.285  -13.807 0.25 18.26 ? 133 GLN B CG  1 
ATOM   1102 C CD  A GLN A 1 127 ? -22.947 -1.541  -13.096 0.25 15.99 ? 133 GLN B CD  1 
ATOM   1103 C CD  B GLN A 1 127 ? -21.890 -1.536  -14.327 0.25 20.61 ? 133 GLN B CD  1 
ATOM   1104 O OE1 A GLN A 1 127 ? -22.189 -1.909  -12.199 0.25 16.41 ? 133 GLN B OE1 1 
ATOM   1105 O OE1 B GLN A 1 127 ? -20.762 -2.026  -14.298 0.25 24.62 ? 133 GLN B OE1 1 
ATOM   1106 N NE2 A GLN A 1 127 ? -23.736 -0.481  -12.969 0.25 16.66 ? 133 GLN B NE2 1 
ATOM   1107 N NE2 B GLN A 1 127 ? -22.129 -0.333  -14.811 0.25 22.97 ? 133 GLN B NE2 1 
ATOM   1108 N N   . ILE A 1 128 ? -23.946 -6.755  -14.885 1.00 11.38 ? 134 ILE B N   1 
ATOM   1109 C CA  . ILE A 1 128 ? -23.738 -8.221  -15.044 1.00 11.08 ? 134 ILE B CA  1 
ATOM   1110 C C   . ILE A 1 128 ? -22.514 -8.386  -15.947 1.00 10.82 ? 134 ILE B C   1 
ATOM   1111 O O   . ILE A 1 128 ? -22.449 -7.792  -17.048 1.00 10.99 ? 134 ILE B O   1 
ATOM   1112 C CB  . ILE A 1 128 ? -24.991 -8.852  -15.674 1.00 11.52 ? 134 ILE B CB  1 
ATOM   1113 C CG1 . ILE A 1 128 ? -26.296 -8.679  -14.868 1.00 13.87 ? 134 ILE B CG1 1 
ATOM   1114 C CG2 . ILE A 1 128 ? -24.733 -10.334 -15.975 1.00 12.20 ? 134 ILE B CG2 1 
ATOM   1115 C CD1 . ILE A 1 128 ? -26.306 -9.448  -13.610 1.00 13.84 ? 134 ILE B CD1 1 
ATOM   1116 N N   . GLY A 1 129 ? -21.562 -9.257  -15.563 1.00 10.75 ? 135 GLY B N   1 
ATOM   1117 C CA  . GLY A 1 129 ? -20.459 -9.705  -16.428 1.00 10.15 ? 135 GLY B CA  1 
ATOM   1118 C C   . GLY A 1 129 ? -20.770 -11.062 -17.009 1.00 10.25 ? 135 GLY B C   1 
ATOM   1119 O O   . GLY A 1 129 ? -21.304 -11.922 -16.328 1.00 10.57 ? 135 GLY B O   1 
ATOM   1120 N N   . ILE A 1 130 ? -20.479 -11.226 -18.297 1.00 10.29 ? 136 ILE B N   1 
ATOM   1121 C CA  . ILE A 1 130 ? -20.743 -12.486 -19.049 1.00 10.19 ? 136 ILE B CA  1 
ATOM   1122 C C   . ILE A 1 130 ? -19.423 -12.960 -19.637 1.00 10.28 ? 136 ILE B C   1 
ATOM   1123 O O   . ILE A 1 130 ? -18.736 -12.207 -20.343 1.00 10.48 ? 136 ILE B O   1 
ATOM   1124 C CB  . ILE A 1 130 ? -21.786 -12.251 -20.149 1.00 10.84 ? 136 ILE B CB  1 
ATOM   1125 C CG1 . ILE A 1 130 ? -23.075 -11.703 -19.536 1.00 11.47 ? 136 ILE B CG1 1 
ATOM   1126 C CG2 . ILE A 1 130 ? -22.040 -13.536 -20.931 1.00 12.22 ? 136 ILE B CG2 1 
ATOM   1127 C CD1 . ILE A 1 130 ? -24.107 -11.330 -20.514 1.00 14.25 ? 136 ILE B CD1 1 
ATOM   1128 N N   . PHE A 1 131 ? -19.063 -14.188 -19.292 1.00 10.05 ? 137 PHE B N   1 
ATOM   1129 C CA  . PHE A 1 131 ? -17.816 -14.839 -19.760 1.00 9.91  ? 137 PHE B CA  1 
ATOM   1130 C C   . PHE A 1 131 ? -18.190 -16.084 -20.540 1.00 9.39  ? 137 PHE B C   1 
ATOM   1131 O O   . PHE A 1 131 ? -18.972 -16.913 -20.080 1.00 10.23 ? 137 PHE B O   1 
ATOM   1132 C CB  . PHE A 1 131 ? -16.957 -15.243 -18.571 1.00 11.15 ? 137 PHE B CB  1 
ATOM   1133 C CG  . PHE A 1 131 ? -15.700 -15.987 -18.944 1.00 11.87 ? 137 PHE B CG  1 
ATOM   1134 C CD1 . PHE A 1 131 ? -14.693 -15.367 -19.624 1.00 13.36 ? 137 PHE B CD1 1 
ATOM   1135 C CD2 . PHE A 1 131 ? -15.527 -17.314 -18.596 1.00 13.67 ? 137 PHE B CD2 1 
ATOM   1136 C CE1 . PHE A 1 131 ? -13.545 -16.074 -19.974 1.00 15.60 ? 137 PHE B CE1 1 
ATOM   1137 C CE2 . PHE A 1 131 ? -14.385 -18.026 -18.956 1.00 15.79 ? 137 PHE B CE2 1 
ATOM   1138 C CZ  . PHE A 1 131 ? -13.407 -17.383 -19.641 1.00 14.98 ? 137 PHE B CZ  1 
ATOM   1139 N N   . VAL A 1 132 ? -17.626 -16.210 -21.739 1.00 10.00 ? 138 VAL B N   1 
ATOM   1140 C CA  . VAL A 1 132 ? -17.768 -17.386 -22.625 1.00 10.35 ? 138 VAL B CA  1 
ATOM   1141 C C   . VAL A 1 132 ? -16.384 -17.972 -22.901 1.00 9.41  ? 138 VAL B C   1 
ATOM   1142 O O   . VAL A 1 132 ? -15.497 -17.264 -23.371 1.00 11.13 ? 138 VAL B O   1 
ATOM   1143 C CB  . VAL A 1 132 ? -18.499 -17.036 -23.918 1.00 10.74 ? 138 VAL B CB  1 
ATOM   1144 C CG1 . VAL A 1 132 ? -18.629 -18.275 -24.798 1.00 12.29 ? 138 VAL B CG1 1 
ATOM   1145 C CG2 . VAL A 1 132 ? -19.864 -16.410 -23.639 1.00 12.59 ? 138 VAL B CG2 1 
ATOM   1146 N N   . ASP A 1 133 ? -16.257 -19.251 -22.621 1.00 9.52  ? 139 ASP B N   1 
ATOM   1147 C CA  . ASP A 1 133 ? -15.059 -20.031 -23.054 1.00 11.23 ? 139 ASP B CA  1 
ATOM   1148 C C   . ASP A 1 133 ? -15.564 -21.050 -24.065 1.00 10.14 ? 139 ASP B C   1 
ATOM   1149 O O   . ASP A 1 133 ? -16.189 -22.049 -23.721 1.00 10.37 ? 139 ASP B O   1 
ATOM   1150 C CB  . ASP A 1 133 ? -14.338 -20.666 -21.887 1.00 12.25 ? 139 ASP B CB  1 
ATOM   1151 C CG  . ASP A 1 133 ? -13.069 -21.444 -22.263 1.00 14.08 ? 139 ASP B CG  1 
ATOM   1152 O OD1 . ASP A 1 133 ? -12.939 -21.877 -23.424 1.00 14.82 ? 139 ASP B OD1 1 
ATOM   1153 O OD2 . ASP A 1 133 ? -12.240 -21.590 -21.326 1.00 18.09 ? 139 ASP B OD2 1 
ATOM   1154 N N   . TYR A 1 134 ? -15.330 -20.761 -25.348 1.00 10.68 ? 140 TYR B N   1 
ATOM   1155 C CA  . TYR A 1 134 ? -15.922 -21.582 -26.426 1.00 11.07 ? 140 TYR B CA  1 
ATOM   1156 C C   . TYR A 1 134 ? -15.441 -23.036 -26.367 1.00 11.36 ? 140 TYR B C   1 
ATOM   1157 O O   . TYR A 1 134 ? -16.180 -23.975 -26.343 1.00 12.45 ? 140 TYR B O   1 
ATOM   1158 C CB  . TYR A 1 134 ? -15.680 -20.977 -27.811 1.00 11.03 ? 140 TYR B CB  1 
ATOM   1159 C CG  . TYR A 1 134 ? -16.609 -21.585 -28.842 1.00 11.31 ? 140 TYR B CG  1 
ATOM   1160 C CD1 . TYR A 1 134 ? -16.403 -22.851 -29.375 1.00 11.64 ? 140 TYR B CD1 1 
ATOM   1161 C CD2 . TYR A 1 134 ? -17.746 -20.899 -29.268 1.00 11.33 ? 140 TYR B CD2 1 
ATOM   1162 C CE1 . TYR A 1 134 ? -17.297 -23.434 -30.248 1.00 11.41 ? 140 TYR B CE1 1 
ATOM   1163 C CE2 . TYR A 1 134 ? -18.654 -21.463 -30.155 1.00 11.33 ? 140 TYR B CE2 1 
ATOM   1164 C CZ  . TYR A 1 134 ? -18.447 -22.740 -30.652 1.00 10.88 ? 140 TYR B CZ  1 
ATOM   1165 O OH  . TYR A 1 134 ? -19.331 -23.337 -31.501 1.00 11.56 ? 140 TYR B OH  1 
ATOM   1166 N N   . GLU A 1 135 ? -14.141 -23.176 -26.265 1.00 12.94 ? 141 GLU B N   1 
ATOM   1167 C CA  . GLU A 1 135 ? -13.499 -24.519 -26.289 1.00 14.12 ? 141 GLU B CA  1 
ATOM   1168 C C   . GLU A 1 135 ? -13.913 -25.331 -25.081 1.00 13.70 ? 141 GLU B C   1 
ATOM   1169 O O   . GLU A 1 135 ? -14.275 -26.514 -25.234 1.00 15.23 ? 141 GLU B O   1 
ATOM   1170 C CB  . GLU A 1 135 ? -11.983 -24.411 -26.415 1.00 16.09 ? 141 GLU B CB  1 
ATOM   1171 C CG  . GLU A 1 135 ? -11.578 -24.273 -27.895 1.00 21.97 ? 141 GLU B CG  1 
ATOM   1172 C CD  . GLU A 1 135 ? -11.880 -22.930 -28.466 1.00 23.49 ? 141 GLU B CD  1 
ATOM   1173 O OE1 . GLU A 1 135 ? -12.090 -22.844 -29.632 1.00 24.19 ? 141 GLU B OE1 1 
ATOM   1174 O OE2 . GLU A 1 135 ? -11.906 -21.945 -27.677 1.00 25.40 ? 141 GLU B OE2 1 
ATOM   1175 N N   . ALA A 1 136 ? -13.963 -24.735 -23.902 1.00 12.38 ? 142 ALA B N   1 
ATOM   1176 C CA  . ALA A 1 136 ? -14.315 -25.440 -22.674 1.00 13.22 ? 142 ALA B CA  1 
ATOM   1177 C C   . ALA A 1 136 ? -15.811 -25.733 -22.617 1.00 13.50 ? 142 ALA B C   1 
ATOM   1178 O O   . ALA A 1 136 ? -16.228 -26.601 -21.833 1.00 15.47 ? 142 ALA B O   1 
ATOM   1179 C CB  . ALA A 1 136 ? -13.873 -24.645 -21.473 1.00 14.85 ? 142 ALA B CB  1 
ATOM   1180 N N   . GLY A 1 137 ? -16.661 -25.046 -23.376 1.00 11.46 ? 143 GLY B N   1 
ATOM   1181 C CA  . GLY A 1 137 ? -18.113 -25.194 -23.263 1.00 10.70 ? 143 GLY B CA  1 
ATOM   1182 C C   . GLY A 1 137 ? -18.671 -24.581 -21.967 1.00 9.60  ? 143 GLY B C   1 
ATOM   1183 O O   . GLY A 1 137 ? -19.439 -25.270 -21.285 1.00 10.93 ? 143 GLY B O   1 
ATOM   1184 N N   . VAL A 1 138 ? -18.258 -23.363 -21.679 1.00 10.46 ? 144 VAL B N   1 
ATOM   1185 C CA  . VAL A 1 138 ? -18.654 -22.654 -20.418 1.00 10.62 ? 144 VAL B CA  1 
ATOM   1186 C C   . VAL A 1 138 ? -19.255 -21.297 -20.777 1.00 9.90  ? 144 VAL B C   1 
ATOM   1187 O O   . VAL A 1 138 ? -18.659 -20.512 -21.528 1.00 10.54 ? 144 VAL B O   1 
ATOM   1188 C CB  . VAL A 1 138 ? -17.412 -22.486 -19.522 1.00 11.16 ? 144 VAL B CB  1 
ATOM   1189 C CG1 . VAL A 1 138 ? -17.679 -21.539 -18.335 1.00 12.06 ? 144 VAL B CG1 1 
ATOM   1190 C CG2 . VAL A 1 138 ? -16.940 -23.854 -19.049 1.00 12.93 ? 144 VAL B CG2 1 
ATOM   1191 N N   . VAL A 1 139 ? -20.342 -20.984 -20.056 1.00 9.82  ? 145 VAL B N   1 
ATOM   1192 C CA  . VAL A 1 139 ? -20.894 -19.601 -19.991 1.00 9.52  ? 145 VAL B CA  1 
ATOM   1193 C C   . VAL A 1 139 ? -21.107 -19.245 -18.508 1.00 8.77  ? 145 VAL B C   1 
ATOM   1194 O O   . VAL A 1 139 ? -21.885 -19.952 -17.866 1.00 9.61  ? 145 VAL B O   1 
ATOM   1195 C CB  . VAL A 1 139 ? -22.214 -19.483 -20.766 1.00 8.99  ? 145 VAL B CB  1 
ATOM   1196 C CG1 . VAL A 1 139 ? -22.705 -18.044 -20.766 1.00 9.55  ? 145 VAL B CG1 1 
ATOM   1197 C CG2 . VAL A 1 139 ? -22.087 -20.018 -22.187 1.00 9.22  ? 145 VAL B CG2 1 
ATOM   1198 N N   . SER A 1 140 ? -20.446 -18.216 -18.041 1.00 8.73  ? 146 SER B N   1 
ATOM   1199 C CA  . SER A 1 140 ? -20.562 -17.794 -16.630 1.00 9.62  ? 146 SER B CA  1 
ATOM   1200 C C   . SER A 1 140 ? -21.032 -16.345 -16.541 1.00 9.27  ? 146 SER B C   1 
ATOM   1201 O O   . SER A 1 140 ? -20.733 -15.525 -17.389 1.00 9.76  ? 146 SER B O   1 
ATOM   1202 C CB  . SER A 1 140 ? -19.248 -17.977 -15.892 1.00 9.59  ? 146 SER B CB  1 
ATOM   1203 O OG  . SER A 1 140 ? -18.859 -19.354 -15.823 1.00 10.99 ? 146 SER B OG  1 
ATOM   1204 N N   . PHE A 1 141 ? -21.708 -16.081 -15.432 1.00 8.56  ? 147 PHE B N   1 
ATOM   1205 C CA  . PHE A 1 141 ? -22.342 -14.795 -15.124 1.00 9.08  ? 147 PHE B CA  1 
ATOM   1206 C C   . PHE A 1 141 ? -21.802 -14.320 -13.778 1.00 9.15  ? 147 PHE B C   1 
ATOM   1207 O O   . PHE A 1 141 ? -21.834 -15.099 -12.783 1.00 9.53  ? 147 PHE B O   1 
ATOM   1208 C CB  . PHE A 1 141 ? -23.887 -14.900 -15.102 1.00 8.99  ? 147 PHE B CB  1 
ATOM   1209 C CG  . PHE A 1 141 ? -24.469 -15.296 -16.438 1.00 8.66  ? 147 PHE B CG  1 
ATOM   1210 C CD1 . PHE A 1 141 ? -24.523 -16.625 -16.837 1.00 8.89  ? 147 PHE B CD1 1 
ATOM   1211 C CD2 . PHE A 1 141 ? -24.975 -14.324 -17.295 1.00 8.85  ? 147 PHE B CD2 1 
ATOM   1212 C CE1 . PHE A 1 141 ? -25.031 -16.964 -18.091 1.00 8.76  ? 147 PHE B CE1 1 
ATOM   1213 C CE2 . PHE A 1 141 ? -25.452 -14.685 -18.555 1.00 9.04  ? 147 PHE B CE2 1 
ATOM   1214 C CZ  . PHE A 1 141 ? -25.514 -16.006 -18.935 1.00 8.63  ? 147 PHE B CZ  1 
ATOM   1215 N N   . TYR A 1 142 ? -21.519 -13.026 -13.683 1.00 9.29  ? 148 TYR B N   1 
ATOM   1216 C CA  . TYR A 1 142 ? -20.873 -12.410 -12.503 1.00 10.51 ? 148 TYR B CA  1 
ATOM   1217 C C   . TYR A 1 142 ? -21.640 -11.159 -12.106 1.00 10.96 ? 148 TYR B C   1 
ATOM   1218 O O   . TYR A 1 142 ? -22.116 -10.348 -12.940 1.00 11.26 ? 148 TYR B O   1 
ATOM   1219 C CB  . TYR A 1 142 ? -19.411 -12.091 -12.777 1.00 10.93 ? 148 TYR B CB  1 
ATOM   1220 C CG  . TYR A 1 142 ? -18.584 -13.317 -13.044 1.00 11.53 ? 148 TYR B CG  1 
ATOM   1221 C CD1 . TYR A 1 142 ? -18.089 -14.113 -12.029 1.00 12.60 ? 148 TYR B CD1 1 
ATOM   1222 C CD2 . TYR A 1 142 ? -18.402 -13.770 -14.348 1.00 12.25 ? 148 TYR B CD2 1 
ATOM   1223 C CE1 . TYR A 1 142 ? -17.425 -15.309 -12.289 1.00 12.71 ? 148 TYR B CE1 1 
ATOM   1224 C CE2 . TYR A 1 142 ? -17.712 -14.941 -14.635 1.00 12.91 ? 148 TYR B CE2 1 
ATOM   1225 C CZ  . TYR A 1 142 ? -17.201 -15.701 -13.602 1.00 12.99 ? 148 TYR B CZ  1 
ATOM   1226 O OH  . TYR A 1 142 ? -16.530 -16.887 -13.871 1.00 14.78 ? 148 TYR B OH  1 
ATOM   1227 N N   . ASN A 1 143 ? -21.695 -10.943 -10.794 1.00 12.09 ? 149 ASN B N   1 
ATOM   1228 C CA  . ASN A 1 143 ? -22.394 -9.785  -10.156 1.00 11.55 ? 149 ASN B CA  1 
ATOM   1229 C C   . ASN A 1 143 ? -21.364 -8.677  -9.986  1.00 11.48 ? 149 ASN B C   1 
ATOM   1230 O O   . ASN A 1 143 ? -20.610 -8.678  -8.959  1.00 13.73 ? 149 ASN B O   1 
ATOM   1231 C CB  . ASN A 1 143 ? -23.010 -10.203 -8.837  1.00 11.70 ? 149 ASN B CB  1 
ATOM   1232 C CG  . ASN A 1 143 ? -23.867 -9.104  -8.211  1.00 12.23 ? 149 ASN B CG  1 
ATOM   1233 O OD1 . ASN A 1 143 ? -23.701 -7.935  -8.547  1.00 13.76 ? 149 ASN B OD1 1 
ATOM   1234 N ND2 . ASN A 1 143 ? -24.724 -9.508  -7.339  1.00 13.29 ? 149 ASN B ND2 1 
ATOM   1235 N N   . ILE A 1 144 ? -21.290 -7.696  -10.884 1.00 13.30 ? 150 ILE B N   1 
ATOM   1236 C CA  . ILE A 1 144 ? -20.240 -6.658  -10.816 1.00 14.09 ? 150 ILE B CA  1 
ATOM   1237 C C   . ILE A 1 144 ? -20.504 -5.773  -9.590  1.00 15.50 ? 150 ILE B C   1 
ATOM   1238 O O   . ILE A 1 144 ? -19.507 -5.285  -8.998  1.00 17.39 ? 150 ILE B O   1 
ATOM   1239 C CB  . ILE A 1 144 ? -20.211 -5.852  -12.125 1.00 14.52 ? 150 ILE B CB  1 
ATOM   1240 C CG1 . ILE A 1 144 ? -20.013 -6.757  -13.355 1.00 15.88 ? 150 ILE B CG1 1 
ATOM   1241 C CG2 . ILE A 1 144 ? -19.182 -4.729  -12.090 1.00 16.85 ? 150 ILE B CG2 1 
ATOM   1242 C CD1 . ILE A 1 144 ? -18.956 -7.807  -13.185 1.00 19.68 ? 150 ILE B CD1 1 
ATOM   1243 N N   . THR A 1 145 ? -21.735 -5.569  -9.198  1.00 14.70 ? 151 THR B N   1 
ATOM   1244 C CA  . THR A 1 145 ? -22.134 -4.700  -8.040  1.00 15.50 ? 151 THR B CA  1 
ATOM   1245 C C   . THR A 1 145 ? -21.578 -5.338  -6.769  1.00 18.55 ? 151 THR B C   1 
ATOM   1246 O O   . THR A 1 145 ? -21.148 -4.588  -5.863  1.00 22.21 ? 151 THR B O   1 
ATOM   1247 C CB  . THR A 1 145 ? -23.663 -4.557  -8.010  1.00 14.65 ? 151 THR B CB  1 
ATOM   1248 O OG1 . THR A 1 145 ? -24.077 -4.088  -9.283  1.00 15.35 ? 151 THR B OG1 1 
ATOM   1249 C CG2 . THR A 1 145 ? -24.095 -3.599  -6.917  1.00 16.21 ? 151 THR B CG2 1 
ATOM   1250 N N   . ASP A 1 146 ? -21.507 -6.663  -6.675  1.00 17.02 ? 152 ASP B N   1 
ATOM   1251 C CA  . ASP A 1 146 ? -20.987 -7.419  -5.498  1.00 18.48 ? 152 ASP B CA  1 
ATOM   1252 C C   . ASP A 1 146 ? -19.568 -7.947  -5.763  1.00 18.77 ? 152 ASP B C   1 
ATOM   1253 O O   . ASP A 1 146 ? -19.364 -9.158  -5.603  1.00 19.51 ? 152 ASP B O   1 
ATOM   1254 C CB  . ASP A 1 146 ? -22.001 -8.465  -5.120  1.00 18.41 ? 152 ASP B CB  1 
ATOM   1255 C CG  . ASP A 1 146 ? -21.628 -9.244  -3.890  1.00 21.71 ? 152 ASP B CG  1 
ATOM   1256 O OD1 . ASP A 1 146 ? -21.211 -8.598  -2.914  1.00 24.47 ? 152 ASP B OD1 1 
ATOM   1257 O OD2 . ASP A 1 146 ? -21.761 -10.462 -3.934  1.00 21.78 ? 152 ASP B OD2 1 
ATOM   1258 N N   . HIS A 1 147 ? -18.647 -7.096  -6.186  1.00 20.40 ? 153 HIS B N   1 
ATOM   1259 C CA  . HIS A 1 147 ? -17.200 -7.415  -6.291  1.00 23.43 ? 153 HIS B CA  1 
ATOM   1260 C C   . HIS A 1 147 ? -17.016 -8.631  -7.206  1.00 21.77 ? 153 HIS B C   1 
ATOM   1261 O O   . HIS A 1 147 ? -16.127 -9.432  -6.968  1.00 24.39 ? 153 HIS B O   1 
ATOM   1262 C CB  . HIS A 1 147 ? -16.569 -7.744  -4.930  1.00 29.26 ? 153 HIS B CB  1 
ATOM   1263 C CG  . HIS A 1 147 ? -16.838 -6.783  -3.818  1.00 38.08 ? 153 HIS B CG  1 
ATOM   1264 N ND1 . HIS A 1 147 ? -16.250 -5.532  -3.761  1.00 44.63 ? 153 HIS B ND1 1 
ATOM   1265 C CD2 . HIS A 1 147 ? -17.581 -6.915  -2.695  1.00 43.32 ? 153 HIS B CD2 1 
ATOM   1266 C CE1 . HIS A 1 147 ? -16.647 -4.915  -2.662  1.00 48.43 ? 153 HIS B CE1 1 
ATOM   1267 N NE2 . HIS A 1 147 ? -17.462 -5.748  -1.984  1.00 46.34 ? 153 HIS B NE2 1 
ATOM   1268 N N   . GLY A 1 148 ? -17.859 -8.783  -8.225  1.00 18.43 ? 154 GLY B N   1 
ATOM   1269 C CA  . GLY A 1 148 ? -17.620 -9.836  -9.237  1.00 15.72 ? 154 GLY B CA  1 
ATOM   1270 C C   . GLY A 1 148 ? -18.045 -11.205 -8.779  1.00 14.02 ? 154 GLY B C   1 
ATOM   1271 O O   . GLY A 1 148 ? -17.530 -12.137 -9.368  1.00 15.13 ? 154 GLY B O   1 
ATOM   1272 N N   . SER A 1 149 ? -18.876 -11.356 -7.790  1.00 13.39 ? 155 SER B N   1 
ATOM   1273 C CA  . SER A 1 149 ? -19.221 -12.687 -7.271  1.00 12.31 ? 155 SER B CA  1 
ATOM   1274 C C   . SER A 1 149 ? -19.902 -13.527 -8.367  1.00 12.06 ? 155 SER B C   1 
ATOM   1275 O O   . SER A 1 149 ? -20.722 -12.996 -9.179  1.00 12.32 ? 155 SER B O   1 
ATOM   1276 C CB  . SER A 1 149 ? -20.074 -12.572 -6.030  1.00 13.60 ? 155 SER B CB  1 
ATOM   1277 O OG  . SER A 1 149 ? -21.277 -11.823 -6.227  1.00 14.34 ? 155 SER B OG  1 
ATOM   1278 N N   . LEU A 1 150 ? -19.718 -14.824 -8.344  1.00 11.25 ? 156 LEU B N   1 
ATOM   1279 C CA  . LEU A 1 150 ? -20.346 -15.730 -9.330  1.00 10.71 ? 156 LEU B CA  1 
ATOM   1280 C C   . LEU A 1 150 ? -21.841 -15.795 -9.085  1.00 10.44 ? 156 LEU B C   1 
ATOM   1281 O O   . LEU A 1 150 ? -22.350 -16.020 -7.963  1.00 10.83 ? 156 LEU B O   1 
ATOM   1282 C CB  . LEU A 1 150 ? -19.712 -17.119 -9.168  1.00 11.06 ? 156 LEU B CB  1 
ATOM   1283 C CG  . LEU A 1 150 ? -20.287 -18.177 -10.136 1.00 10.79 ? 156 LEU B CG  1 
ATOM   1284 C CD1 . LEU A 1 150 ? -19.921 -17.891 -11.583 1.00 10.98 ? 156 LEU B CD1 1 
ATOM   1285 C CD2 . LEU A 1 150 ? -19.746 -19.576 -9.762  1.00 12.08 ? 156 LEU B CD2 1 
ATOM   1286 N N   . ILE A 1 151 ? -22.602 -15.640 -10.180 1.00 9.95  ? 157 ILE B N   1 
ATOM   1287 C CA  . ILE A 1 151 ? -24.053 -15.862 -10.211 1.00 9.96  ? 157 ILE B CA  1 
ATOM   1288 C C   . ILE A 1 151 ? -24.403 -17.283 -10.669 1.00 9.05  ? 157 ILE B C   1 
ATOM   1289 O O   . ILE A 1 151 ? -25.199 -17.980 -10.080 1.00 9.27  ? 157 ILE B O   1 
ATOM   1290 C CB  . ILE A 1 151 ? -24.744 -14.793 -11.087 1.00 10.33 ? 157 ILE B CB  1 
ATOM   1291 C CG1 . ILE A 1 151 ? -24.586 -13.397 -10.493 1.00 10.99 ? 157 ILE B CG1 1 
ATOM   1292 C CG2 . ILE A 1 151 ? -26.207 -15.143 -11.282 1.00 10.67 ? 157 ILE B CG2 1 
ATOM   1293 C CD1 . ILE A 1 151 ? -24.971 -12.273 -11.445 1.00 11.19 ? 157 ILE B CD1 1 
ATOM   1294 N N   . TYR A 1 152 ? -23.821 -17.701 -11.817 1.00 8.94  ? 158 TYR B N   1 
ATOM   1295 C CA  . TYR A 1 152 ? -24.202 -19.000 -12.407 1.00 9.22  ? 158 TYR B CA  1 
ATOM   1296 C C   . TYR A 1 152 ? -23.160 -19.391 -13.451 1.00 8.79  ? 158 TYR B C   1 
ATOM   1297 O O   . TYR A 1 152 ? -22.688 -18.531 -14.188 1.00 9.22  ? 158 TYR B O   1 
ATOM   1298 C CB  . TYR A 1 152 ? -25.587 -18.935 -13.107 1.00 9.05  ? 158 TYR B CB  1 
ATOM   1299 C CG  . TYR A 1 152 ? -26.116 -20.286 -13.448 1.00 9.06  ? 158 TYR B CG  1 
ATOM   1300 C CD1 . TYR A 1 152 ? -26.738 -21.096 -12.505 1.00 9.33  ? 158 TYR B CD1 1 
ATOM   1301 C CD2 . TYR A 1 152 ? -25.986 -20.814 -14.734 1.00 9.14  ? 158 TYR B CD2 1 
ATOM   1302 C CE1 . TYR A 1 152 ? -27.169 -22.367 -12.801 1.00 9.85  ? 158 TYR B CE1 1 
ATOM   1303 C CE2 . TYR A 1 152 ? -26.426 -22.082 -15.037 1.00 9.92  ? 158 TYR B CE2 1 
ATOM   1304 C CZ  . TYR A 1 152 ? -26.999 -22.866 -14.076 1.00 9.49  ? 158 TYR B CZ  1 
ATOM   1305 O OH  . TYR A 1 152 ? -27.392 -24.156 -14.362 1.00 11.97 ? 158 TYR B OH  1 
ATOM   1306 N N   . THR A 1 153 ? -22.872 -20.701 -13.531 1.00 8.84  ? 159 THR B N   1 
ATOM   1307 C CA  . THR A 1 153 ? -22.053 -21.316 -14.607 1.00 9.01  ? 159 THR B CA  1 
ATOM   1308 C C   . THR A 1 153 ? -22.827 -22.414 -15.291 1.00 8.79  ? 159 THR B C   1 
ATOM   1309 O O   . THR A 1 153 ? -23.205 -23.395 -14.675 1.00 10.01 ? 159 THR B O   1 
ATOM   1310 C CB  . THR A 1 153 ? -20.708 -21.851 -14.069 1.00 9.61  ? 159 THR B CB  1 
ATOM   1311 O OG1 . THR A 1 153 ? -19.955 -20.719 -13.655 1.00 10.54 ? 159 THR B OG1 1 
ATOM   1312 C CG2 . THR A 1 153 ? -19.966 -22.671 -15.113 1.00 10.81 ? 159 THR B CG2 1 
ATOM   1313 N N   . PHE A 1 154 ? -23.042 -22.237 -16.612 1.00 9.06  ? 160 PHE B N   1 
ATOM   1314 C CA  . PHE A 1 154 ? -23.423 -23.349 -17.518 1.00 9.05  ? 160 PHE B CA  1 
ATOM   1315 C C   . PHE A 1 154 ? -22.099 -24.021 -17.945 1.00 9.41  ? 160 PHE B C   1 
ATOM   1316 O O   . PHE A 1 154 ? -21.244 -23.378 -18.521 1.00 9.86  ? 160 PHE B O   1 
ATOM   1317 C CB  . PHE A 1 154 ? -24.091 -22.855 -18.798 1.00 9.61  ? 160 PHE B CB  1 
ATOM   1318 C CG  . PHE A 1 154 ? -25.462 -22.231 -18.635 1.00 8.31  ? 160 PHE B CG  1 
ATOM   1319 C CD1 . PHE A 1 154 ? -25.648 -20.883 -18.367 1.00 7.79  ? 160 PHE B CD1 1 
ATOM   1320 C CD2 . PHE A 1 154 ? -26.580 -22.988 -18.834 1.00 8.84  ? 160 PHE B CD2 1 
ATOM   1321 C CE1 . PHE A 1 154 ? -26.934 -20.351 -18.289 1.00 8.49  ? 160 PHE B CE1 1 
ATOM   1322 C CE2 . PHE A 1 154 ? -27.863 -22.449 -18.761 1.00 9.34  ? 160 PHE B CE2 1 
ATOM   1323 C CZ  . PHE A 1 154 ? -28.018 -21.118 -18.485 1.00 8.36  ? 160 PHE B CZ  1 
ATOM   1324 N N   . SER A 1 155 ? -21.990 -25.314 -17.655 1.00 10.47 ? 161 SER B N   1 
ATOM   1325 C CA  . SER A 1 155 ? -20.843 -26.110 -18.125 1.00 11.38 ? 161 SER B CA  1 
ATOM   1326 C C   . SER A 1 155 ? -21.368 -27.248 -18.970 1.00 11.00 ? 161 SER B C   1 
ATOM   1327 O O   . SER A 1 155 ? -22.550 -27.512 -19.062 1.00 12.57 ? 161 SER B O   1 
ATOM   1328 C CB  . SER A 1 155 ? -20.017 -26.533 -16.961 1.00 13.02 ? 161 SER B CB  1 
ATOM   1329 O OG  . SER A 1 155 ? -20.703 -27.441 -16.167 1.00 16.06 ? 161 SER B OG  1 
ATOM   1330 N N   . GLU A 1 156 ? -20.427 -27.913 -19.657 1.00 13.39 ? 162 GLU B N   1 
ATOM   1331 C CA  . GLU A 1 156 ? -20.779 -28.993 -20.629 1.00 14.28 ? 162 GLU B CA  1 
ATOM   1332 C C   . GLU A 1 156 ? -21.735 -28.443 -21.688 1.00 12.45 ? 162 GLU B C   1 
ATOM   1333 O O   . GLU A 1 156 ? -22.658 -29.159 -22.156 1.00 13.97 ? 162 GLU B O   1 
ATOM   1334 C CB  . GLU A 1 156 ? -21.409 -30.199 -19.932 1.00 17.09 ? 162 GLU B CB  1 
ATOM   1335 C CG  . GLU A 1 156 ? -20.694 -30.720 -18.696 1.00 22.36 ? 162 GLU B CG  1 
ATOM   1336 C CD  . GLU A 1 156 ? -21.335 -32.024 -18.280 1.00 31.99 ? 162 GLU B CD  1 
ATOM   1337 O OE1 . GLU A 1 156 ? -22.413 -31.993 -17.631 1.00 33.50 ? 162 GLU B OE1 1 
ATOM   1338 O OE2 . GLU A 1 156 ? -20.841 -33.067 -18.744 1.00 38.67 ? 162 GLU B OE2 1 
ATOM   1339 N N   . CYS A 1 157 ? -21.513 -27.188 -22.066 1.00 12.00 ? 163 CYS B N   1 
ATOM   1340 C CA  . CYS A 1 157 ? -22.359 -26.561 -23.105 1.00 11.26 ? 163 CYS B CA  1 
ATOM   1341 C C   . CYS A 1 157 ? -22.091 -27.224 -24.468 1.00 11.78 ? 163 CYS B C   1 
ATOM   1342 O O   . CYS A 1 157 ? -20.897 -27.424 -24.812 1.00 13.88 ? 163 CYS B O   1 
ATOM   1343 C CB  . CYS A 1 157 ? -22.157 -25.045 -23.236 1.00 10.44 ? 163 CYS B CB  1 
ATOM   1344 S SG  . CYS A 1 157 ? -22.604 -24.122 -21.749 1.00 11.04 ? 163 CYS B SG  1 
ATOM   1345 N N   . VAL A 1 158 ? -23.145 -27.445 -25.215 1.00 11.51 ? 164 VAL B N   1 
ATOM   1346 C CA  . VAL A 1 158 ? -23.003 -27.969 -26.599 1.00 12.43 ? 164 VAL B CA  1 
ATOM   1347 C C   . VAL A 1 158 ? -23.478 -26.827 -27.498 1.00 11.26 ? 164 VAL B C   1 
ATOM   1348 O O   . VAL A 1 158 ? -24.649 -26.766 -27.862 1.00 12.65 ? 164 VAL B O   1 
ATOM   1349 C CB  . VAL A 1 158 ? -23.725 -29.337 -26.730 1.00 14.79 ? 164 VAL B CB  1 
ATOM   1350 C CG1 . VAL A 1 158 ? -23.603 -29.831 -28.179 1.00 15.58 ? 164 VAL B CG1 1 
ATOM   1351 C CG2 . VAL A 1 158 ? -23.169 -30.368 -25.734 1.00 15.97 ? 164 VAL B CG2 1 
ATOM   1352 N N   . PHE A 1 159 ? -22.606 -25.894 -27.847 1.00 10.77 ? 165 PHE B N   1 
ATOM   1353 C CA  . PHE A 1 159 ? -22.961 -24.657 -28.576 1.00 11.22 ? 165 PHE B CA  1 
ATOM   1354 C C   . PHE A 1 159 ? -23.511 -25.026 -29.941 1.00 11.32 ? 165 PHE B C   1 
ATOM   1355 O O   . PHE A 1 159 ? -24.526 -24.437 -30.381 1.00 13.02 ? 165 PHE B O   1 
ATOM   1356 C CB  . PHE A 1 159 ? -21.789 -23.701 -28.613 1.00 10.50 ? 165 PHE B CB  1 
ATOM   1357 C CG  . PHE A 1 159 ? -21.352 -23.198 -27.251 1.00 10.50 ? 165 PHE B CG  1 
ATOM   1358 C CD1 . PHE A 1 159 ? -22.293 -22.689 -26.335 1.00 10.14 ? 165 PHE B CD1 1 
ATOM   1359 C CD2 . PHE A 1 159 ? -20.029 -23.195 -26.875 1.00 11.27 ? 165 PHE B CD2 1 
ATOM   1360 C CE1 . PHE A 1 159 ? -21.880 -22.223 -25.080 1.00 10.39 ? 165 PHE B CE1 1 
ATOM   1361 C CE2 . PHE A 1 159 ? -19.618 -22.732 -25.635 1.00 11.13 ? 165 PHE B CE2 1 
ATOM   1362 C CZ  . PHE A 1 159 ? -20.534 -22.198 -24.751 1.00 10.79 ? 165 PHE B CZ  1 
ATOM   1363 N N   . ALA A 1 160 ? -22.807 -25.896 -30.692 1.00 11.63 ? 166 ALA B N   1 
ATOM   1364 C CA  . ALA A 1 160 ? -23.268 -26.475 -31.979 1.00 12.13 ? 166 ALA B CA  1 
ATOM   1365 C C   . ALA A 1 160 ? -23.421 -25.396 -33.038 1.00 11.89 ? 166 ALA B C   1 
ATOM   1366 O O   . ALA A 1 160 ? -24.238 -25.612 -33.997 1.00 13.00 ? 166 ALA B O   1 
ATOM   1367 C CB  . ALA A 1 160 ? -24.479 -27.284 -31.778 1.00 12.55 ? 166 ALA B CB  1 
ATOM   1368 N N   . GLY A 1 161 ? -22.665 -24.336 -32.964 1.00 12.15 ? 167 GLY B N   1 
ATOM   1369 C CA  . GLY A 1 161 ? -22.698 -23.269 -33.971 1.00 12.41 ? 167 GLY B CA  1 
ATOM   1370 C C   . GLY A 1 161 ? -21.971 -22.051 -33.468 1.00 11.65 ? 167 GLY B C   1 
ATOM   1371 O O   . GLY A 1 161 ? -21.573 -22.011 -32.265 1.00 11.98 ? 167 GLY B O   1 
ATOM   1372 N N   . PRO A 1 162 ? -21.854 -21.019 -34.285 1.00 10.74 ? 168 PRO B N   1 
ATOM   1373 C CA  . PRO A 1 162 ? -21.388 -19.719 -33.831 1.00 11.15 ? 168 PRO B CA  1 
ATOM   1374 C C   . PRO A 1 162 ? -22.348 -19.159 -32.763 1.00 10.66 ? 168 PRO B C   1 
ATOM   1375 O O   . PRO A 1 162 ? -23.556 -19.390 -32.837 1.00 11.11 ? 168 PRO B O   1 
ATOM   1376 C CB  . PRO A 1 162 ? -21.378 -18.812 -35.073 1.00 11.74 ? 168 PRO B CB  1 
ATOM   1377 C CG  . PRO A 1 162 ? -21.486 -19.840 -36.232 1.00 11.75 ? 168 PRO B CG  1 
ATOM   1378 C CD  . PRO A 1 162 ? -22.279 -20.968 -35.705 1.00 10.73 ? 168 PRO B CD  1 
ATOM   1379 N N   . LEU A 1 163 ? -21.767 -18.416 -31.848 1.00 10.18 ? 169 LEU B N   1 
ATOM   1380 C CA  . LEU A 1 163 ? -22.540 -17.734 -30.761 1.00 9.68  ? 169 LEU B CA  1 
ATOM   1381 C C   . LEU A 1 163 ? -22.643 -16.245 -31.027 1.00 10.33 ? 169 LEU B C   1 
ATOM   1382 O O   . LEU A 1 163 ? -21.701 -15.612 -31.479 1.00 11.80 ? 169 LEU B O   1 
ATOM   1383 C CB  . LEU A 1 163 ? -21.863 -17.975 -29.402 1.00 10.69 ? 169 LEU B CB  1 
ATOM   1384 C CG  . LEU A 1 163 ? -21.888 -19.401 -28.856 1.00 11.72 ? 169 LEU B CG  1 
ATOM   1385 C CD1 . LEU A 1 163 ? -21.046 -19.467 -27.594 1.00 11.26 ? 169 LEU B CD1 1 
ATOM   1386 C CD2 . LEU A 1 163 ? -23.302 -19.890 -28.620 1.00 11.84 ? 169 LEU B CD2 1 
ATOM   1387 N N   . ARG A 1 164 ? -23.769 -15.675 -30.595 1.00 9.65  ? 170 ARG B N   1 
ATOM   1388 C CA  . ARG A 1 164 ? -24.002 -14.229 -30.587 1.00 10.01 ? 170 ARG B CA  1 
ATOM   1389 C C   . ARG A 1 164 ? -24.409 -13.745 -29.198 1.00 8.87  ? 170 ARG B C   1 
ATOM   1390 O O   . ARG A 1 164 ? -25.182 -14.419 -28.520 1.00 9.21  ? 170 ARG B O   1 
ATOM   1391 C CB  . ARG A 1 164 ? -25.052 -13.853 -31.630 1.00 10.72 ? 170 ARG B CB  1 
ATOM   1392 C CG  . ARG A 1 164 ? -24.575 -14.197 -33.055 1.00 12.70 ? 170 ARG B CG  1 
ATOM   1393 C CD  . ARG A 1 164 ? -25.543 -13.820 -34.166 1.00 13.38 ? 170 ARG B CD  1 
ATOM   1394 N NE  . ARG A 1 164 ? -25.594 -12.378 -34.253 1.00 13.69 ? 170 ARG B NE  1 
ATOM   1395 C CZ  . ARG A 1 164 ? -26.300 -11.761 -35.185 1.00 13.90 ? 170 ARG B CZ  1 
ATOM   1396 N NH1 . ARG A 1 164 ? -26.905 -12.448 -36.121 1.00 14.76 ? 170 ARG B NH1 1 
ATOM   1397 N NH2 . ARG A 1 164 ? -26.348 -10.463 -35.187 1.00 13.67 ? 170 ARG B NH2 1 
ATOM   1398 N N   . PRO A 1 165 ? -23.967 -12.557 -28.776 1.00 8.55  ? 171 PRO B N   1 
ATOM   1399 C CA  . PRO A 1 165 ? -24.520 -11.962 -27.550 1.00 8.63  ? 171 PRO B CA  1 
ATOM   1400 C C   . PRO A 1 165 ? -26.044 -11.795 -27.714 1.00 8.54  ? 171 PRO B C   1 
ATOM   1401 O O   . PRO A 1 165 ? -26.543 -11.451 -28.770 1.00 9.30  ? 171 PRO B O   1 
ATOM   1402 C CB  . PRO A 1 165 ? -23.817 -10.619 -27.441 1.00 9.13  ? 171 PRO B CB  1 
ATOM   1403 C CG  . PRO A 1 165 ? -22.519 -10.785 -28.282 1.00 10.77 ? 171 PRO B CG  1 
ATOM   1404 C CD  . PRO A 1 165 ? -22.959 -11.699 -29.392 1.00 10.73 ? 171 PRO B CD  1 
ATOM   1405 N N   . PHE A 1 166 ? -26.757 -12.080 -26.626 1.00 8.13  ? 172 PHE B N   1 
ATOM   1406 C CA  . PHE A 1 166 ? -28.224 -12.105 -26.594 1.00 8.36  ? 172 PHE B CA  1 
ATOM   1407 C C   . PHE A 1 166 ? -28.750 -11.165 -25.496 1.00 7.59  ? 172 PHE B C   1 
ATOM   1408 O O   . PHE A 1 166 ? -28.255 -11.150 -24.367 1.00 8.14  ? 172 PHE B O   1 
ATOM   1409 C CB  . PHE A 1 166 ? -28.718 -13.526 -26.330 1.00 8.88  ? 172 PHE B CB  1 
ATOM   1410 C CG  . PHE A 1 166 ? -30.213 -13.626 -26.144 1.00 8.48  ? 172 PHE B CG  1 
ATOM   1411 C CD1 . PHE A 1 166 ? -31.062 -13.636 -27.238 1.00 9.81  ? 172 PHE B CD1 1 
ATOM   1412 C CD2 . PHE A 1 166 ? -30.777 -13.678 -24.883 1.00 10.11 ? 172 PHE B CD2 1 
ATOM   1413 C CE1 . PHE A 1 166 ? -32.433 -13.667 -27.072 1.00 10.10 ? 172 PHE B CE1 1 
ATOM   1414 C CE2 . PHE A 1 166 ? -32.157 -13.678 -24.731 1.00 10.09 ? 172 PHE B CE2 1 
ATOM   1415 C CZ  . PHE A 1 166 ? -32.975 -13.691 -25.829 1.00 10.51 ? 172 PHE B CZ  1 
ATOM   1416 N N   . PHE A 1 167 ? -29.823 -10.421 -25.836 1.00 7.79  ? 173 PHE B N   1 
ATOM   1417 C CA  . PHE A 1 167 ? -30.441 -9.399  -24.960 1.00 8.18  ? 173 PHE B CA  1 
ATOM   1418 C C   . PHE A 1 167 ? -31.957 -9.461  -25.077 1.00 8.48  ? 173 PHE B C   1 
ATOM   1419 O O   . PHE A 1 167 ? -32.488 -9.528  -26.188 1.00 9.07  ? 173 PHE B O   1 
ATOM   1420 C CB  . PHE A 1 167 ? -29.993 -7.975  -25.328 1.00 8.71  ? 173 PHE B CB  1 
ATOM   1421 C CG  . PHE A 1 167 ? -28.491 -7.832  -25.454 1.00 8.62  ? 173 PHE B CG  1 
ATOM   1422 C CD1 . PHE A 1 167 ? -27.840 -8.142  -26.629 1.00 8.63  ? 173 PHE B CD1 1 
ATOM   1423 C CD2 . PHE A 1 167 ? -27.735 -7.360  -24.398 1.00 9.95  ? 173 PHE B CD2 1 
ATOM   1424 C CE1 . PHE A 1 167 ? -26.448 -8.068  -26.729 1.00 9.25  ? 173 PHE B CE1 1 
ATOM   1425 C CE2 . PHE A 1 167 ? -26.351 -7.240  -24.503 1.00 10.55 ? 173 PHE B CE2 1 
ATOM   1426 C CZ  . PHE A 1 167 ? -25.725 -7.564  -25.674 1.00 9.98  ? 173 PHE B CZ  1 
ATOM   1427 N N   . ASN A 1 168 ? -32.632 -9.283  -23.947 1.00 8.72  ? 174 ASN B N   1 
ATOM   1428 C CA  . ASN A 1 168 ? -34.090 -9.029  -23.903 1.00 8.41  ? 174 ASN B CA  1 
ATOM   1429 C C   . ASN A 1 168 ? -34.297 -7.897  -22.919 1.00 8.02  ? 174 ASN B C   1 
ATOM   1430 O O   . ASN A 1 168 ? -33.983 -8.043  -21.720 1.00 8.79  ? 174 ASN B O   1 
ATOM   1431 C CB  . ASN A 1 168 ? -34.857 -10.274 -23.479 1.00 8.68  ? 174 ASN B CB  1 
ATOM   1432 C CG  . ASN A 1 168 ? -36.356 -10.105 -23.563 1.00 9.54  ? 174 ASN B CG  1 
ATOM   1433 O OD1 . ASN A 1 168 ? -36.882 -9.035  -23.874 1.00 10.89 ? 174 ASN B OD1 1 
ATOM   1434 N ND2 . ASN A 1 168 ? -37.091 -11.166 -23.318 1.00 11.45 ? 174 ASN B ND2 1 
ATOM   1435 N N   . VAL A 1 169 ? -34.819 -6.754  -23.383 1.00 8.69  ? 175 VAL B N   1 
ATOM   1436 C CA  . VAL A 1 169 ? -35.086 -5.604  -22.488 1.00 9.42  ? 175 VAL B CA  1 
ATOM   1437 C C   . VAL A 1 169 ? -36.327 -5.839  -21.637 1.00 8.97  ? 175 VAL B C   1 
ATOM   1438 O O   . VAL A 1 169 ? -36.567 -5.037  -20.703 1.00 10.27 ? 175 VAL B O   1 
ATOM   1439 C CB  . VAL A 1 169 ? -35.205 -4.255  -23.234 1.00 9.89  ? 175 VAL B CB  1 
ATOM   1440 C CG1 . VAL A 1 169 ? -33.921 -3.898  -23.945 1.00 10.99 ? 175 VAL B CG1 1 
ATOM   1441 C CG2 . VAL A 1 169 ? -36.376 -4.221  -24.205 1.00 10.36 ? 175 VAL B CG2 1 
ATOM   1442 N N   . GLY A 1 170 ? -37.129 -6.849  -21.967 1.00 10.00 ? 176 GLY B N   1 
ATOM   1443 C CA  . GLY A 1 170 ? -38.400 -7.113  -21.263 1.00 10.61 ? 176 GLY B CA  1 
ATOM   1444 C C   . GLY A 1 170 ? -39.510 -6.193  -21.691 1.00 10.49 ? 176 GLY B C   1 
ATOM   1445 O O   . GLY A 1 170 ? -39.317 -5.134  -22.276 1.00 10.18 ? 176 GLY B O   1 
ATOM   1446 N N   . PHE A 1 171 ? -40.700 -6.633  -21.290 0.36 10.52 ? 177 PHE B N   1 
ATOM   1447 C CA  . PHE A 1 171 ? -41.971 -5.914  -21.506 0.36 9.98  ? 177 PHE B CA  1 
ATOM   1448 C C   . PHE A 1 171 ? -42.022 -4.717  -20.553 0.36 10.07 ? 177 PHE B C   1 
ATOM   1449 O O   . PHE A 1 171 ? -41.282 -4.704  -19.558 0.36 9.93  ? 177 PHE B O   1 
ATOM   1450 C CB  . PHE A 1 171 ? -43.131 -6.897  -21.355 0.36 9.84  ? 177 PHE B CB  1 
ATOM   1451 C CG  . PHE A 1 171 ? -43.220 -7.918  -22.464 0.36 9.78  ? 177 PHE B CG  1 
ATOM   1452 C CD1 . PHE A 1 171 ? -43.542 -7.515  -23.747 0.36 9.80  ? 177 PHE B CD1 1 
ATOM   1453 C CD2 . PHE A 1 171 ? -42.970 -9.263  -22.243 0.36 10.10 ? 177 PHE B CD2 1 
ATOM   1454 C CE1 . PHE A 1 171 ? -43.634 -8.428  -24.782 0.36 10.02 ? 177 PHE B CE1 1 
ATOM   1455 C CE2 . PHE A 1 171 ? -43.061 -10.180 -23.283 0.36 9.85  ? 177 PHE B CE2 1 
ATOM   1456 C CZ  . PHE A 1 171 ? -43.392 -9.755  -24.554 0.36 9.69  ? 177 PHE B CZ  1 
ATOM   1457 N N   . ASN A 1 172 ? -42.864 -3.729  -20.858 1.00 10.54 ? 178 ASN B N   1 
ATOM   1458 C CA  . ASN A 1 172 ? -43.061 -2.617  -19.918 1.00 9.70  ? 178 ASN B CA  1 
ATOM   1459 C C   . ASN A 1 172 ? -44.570 -2.478  -19.685 1.00 10.35 ? 178 ASN B C   1 
ATOM   1460 O O   . ASN A 1 172 ? -45.086 -1.338  -19.737 1.00 12.03 ? 178 ASN B O   1 
ATOM   1461 C CB  . ASN A 1 172 ? -42.415 -1.336  -20.412 1.00 10.76 ? 178 ASN B CB  1 
ATOM   1462 C CG  . ASN A 1 172 ? -42.423 -0.269  -19.357 1.00 10.71 ? 178 ASN B CG  1 
ATOM   1463 O OD1 . ASN A 1 172 ? -42.460 -0.511  -18.166 1.00 10.72 ? 178 ASN B OD1 1 
ATOM   1464 N ND2 . ASN A 1 172 ? -42.400 0.964   -19.815 1.00 12.54 ? 178 ASN B ND2 1 
ATOM   1465 N N   . TYR A 1 173 ? -45.251 -3.535  -19.333 1.00 10.41 ? 179 TYR B N   1 
ATOM   1466 C CA  . TYR A 1 173 ? -46.689 -3.454  -18.947 1.00 9.98  ? 179 TYR B CA  1 
ATOM   1467 C C   . TYR A 1 173 ? -46.833 -2.642  -17.671 1.00 10.57 ? 179 TYR B C   1 
ATOM   1468 O O   . TYR A 1 173 ? -47.908 -1.958  -17.474 1.00 11.87 ? 179 TYR B O   1 
ATOM   1469 C CB  . TYR A 1 173 ? -47.290 -4.850  -18.724 1.00 10.77 ? 179 TYR B CB  1 
ATOM   1470 C CG  . TYR A 1 173 ? -47.371 -5.723  -19.955 1.00 12.77 ? 179 TYR B CG  1 
ATOM   1471 C CD1 . TYR A 1 173 ? -48.378 -5.542  -20.898 1.00 15.43 ? 179 TYR B CD1 1 
ATOM   1472 C CD2 . TYR A 1 173 ? -46.512 -6.807  -20.119 1.00 14.25 ? 179 TYR B CD2 1 
ATOM   1473 C CE1 . TYR A 1 173 ? -48.432 -6.323  -22.054 1.00 17.31 ? 179 TYR B CE1 1 
ATOM   1474 C CE2 . TYR A 1 173 ? -46.571 -7.601  -21.272 1.00 15.19 ? 179 TYR B CE2 1 
ATOM   1475 C CZ  . TYR A 1 173 ? -47.507 -7.331  -22.233 1.00 17.34 ? 179 TYR B CZ  1 
ATOM   1476 O OH  . TYR A 1 173 ? -47.625 -8.128  -23.351 1.00 23.28 ? 179 TYR B OH  1 
ATOM   1477 N N   . SER A 1 174 ? -45.891 -2.649  -16.740 1.00 10.40 ? 180 SER B N   1 
ATOM   1478 C CA  . SER A 1 174 ? -46.003 -2.035  -15.408 1.00 11.81 ? 180 SER B CA  1 
ATOM   1479 C C   . SER A 1 174 ? -45.715 -0.529  -15.454 1.00 11.17 ? 180 SER B C   1 
ATOM   1480 O O   . SER A 1 174 ? -46.026 0.183   -14.477 1.00 13.21 ? 180 SER B O   1 
ATOM   1481 C CB  . SER A 1 174 ? -45.057 -2.659  -14.444 1.00 11.99 ? 180 SER B CB  1 
ATOM   1482 O OG  . SER A 1 174 ? -43.703 -2.384  -14.888 1.00 12.08 ? 180 SER B OG  1 
ATOM   1483 N N   . GLY A 1 175 ? -45.060 -0.038  -16.489 1.00 10.44 ? 181 GLY B N   1 
ATOM   1484 C CA  . GLY A 1 175 ? -44.533 1.331   -16.468 1.00 11.54 ? 181 GLY B CA  1 
ATOM   1485 C C   . GLY A 1 175 ? -43.301 1.467   -15.612 1.00 11.87 ? 181 GLY B C   1 
ATOM   1486 O O   . GLY A 1 175 ? -42.821 2.608   -15.437 1.00 14.50 ? 181 GLY B O   1 
ATOM   1487 N N   . GLY A 1 176 ? -42.760 0.403   -15.045 1.00 10.91 ? 182 GLY B N   1 
ATOM   1488 C CA  . GLY A 1 176 ? -41.548 0.438   -14.220 1.00 11.29 ? 182 GLY B CA  1 
ATOM   1489 C C   . GLY A 1 176 ? -40.344 -0.215  -14.914 1.00 10.89 ? 182 GLY B C   1 
ATOM   1490 O O   . GLY A 1 176 ? -39.294 -0.297  -14.237 1.00 12.84 ? 182 GLY B O   1 
ATOM   1491 N N   . ASN A 1 177 ? -40.426 -0.599  -16.164 1.00 9.49  ? 183 ASN B N   1 
ATOM   1492 C CA  . ASN A 1 177 ? -39.341 -1.333  -16.844 1.00 9.33  ? 183 ASN B CA  1 
ATOM   1493 C C   . ASN A 1 177 ? -38.896 -0.625  -18.116 1.00 9.75  ? 183 ASN B C   1 
ATOM   1494 O O   . ASN A 1 177 ? -38.328 -1.285  -18.985 1.00 11.17 ? 183 ASN B O   1 
ATOM   1495 C CB  . ASN A 1 177 ? -39.739 -2.771  -17.144 1.00 9.42  ? 183 ASN B CB  1 
ATOM   1496 C CG  . ASN A 1 177 ? -38.518 -3.648  -17.425 1.00 9.02  ? 183 ASN B CG  1 
ATOM   1497 O OD1 . ASN A 1 177 ? -37.466 -3.449  -16.814 1.00 9.87  ? 183 ASN B OD1 1 
ATOM   1498 N ND2 . ASN A 1 177 ? -38.688 -4.563  -18.364 1.00 9.23  ? 183 ASN B ND2 1 
ATOM   1499 N N   . ALA A 1 178 ? -38.987 0.705   -18.195 1.00 10.32 ? 184 ALA B N   1 
ATOM   1500 C CA  . ALA A 1 178 ? -38.592 1.443   -19.413 1.00 11.23 ? 184 ALA B CA  1 
ATOM   1501 C C   . ALA A 1 178 ? -37.074 1.589   -19.546 1.00 11.47 ? 184 ALA B C   1 
ATOM   1502 O O   . ALA A 1 178 ? -36.625 1.866   -20.653 1.00 12.93 ? 184 ALA B O   1 
ATOM   1503 C CB  . ALA A 1 178 ? -39.237 2.851   -19.404 1.00 12.13 ? 184 ALA B CB  1 
ATOM   1504 N N   . ALA A 1 179 ? -36.326 1.429   -18.477 1.00 10.32 ? 185 ALA B N   1 
ATOM   1505 C CA  . ALA A 1 179 ? -34.873 1.724   -18.534 1.00 10.64 ? 185 ALA B CA  1 
ATOM   1506 C C   . ALA A 1 179 ? -34.178 0.841   -19.568 1.00 10.73 ? 185 ALA B C   1 
ATOM   1507 O O   . ALA A 1 179 ? -34.550 -0.331  -19.818 1.00 10.39 ? 185 ALA B O   1 
ATOM   1508 C CB  . ALA A 1 179 ? -34.245 1.571   -17.182 1.00 11.19 ? 185 ALA B CB  1 
ATOM   1509 N N   . PRO A 1 180 ? -33.086 1.333   -20.157 1.00 10.96 ? 186 PRO B N   1 
ATOM   1510 C CA  . PRO A 1 180 ? -32.347 0.564   -21.167 1.00 10.88 ? 186 PRO B CA  1 
ATOM   1511 C C   . PRO A 1 180 ? -31.431 -0.548  -20.593 1.00 9.97  ? 186 PRO B C   1 
ATOM   1512 O O   . PRO A 1 180 ? -31.076 -0.517  -19.441 1.00 11.15 ? 186 PRO B O   1 
ATOM   1513 C CB  . PRO A 1 180 ? -31.444 1.643   -21.824 1.00 11.99 ? 186 PRO B CB  1 
ATOM   1514 C CG  . PRO A 1 180 ? -31.187 2.613   -20.723 1.00 14.70 ? 186 PRO B CG  1 
ATOM   1515 C CD  . PRO A 1 180 ? -32.520 2.682   -19.982 1.00 13.18 ? 186 PRO B CD  1 
ATOM   1516 N N   . LEU A 1 181 ? -31.052 -1.480  -21.466 1.00 10.15 ? 187 LEU B N   1 
ATOM   1517 C CA  . LEU A 1 181 ? -29.802 -2.264  -21.283 1.00 10.05 ? 187 LEU B CA  1 
ATOM   1518 C C   . LEU A 1 181 ? -28.683 -1.462  -21.926 1.00 10.38 ? 187 LEU B C   1 
ATOM   1519 O O   . LEU A 1 181 ? -28.846 -0.966  -23.073 1.00 12.86 ? 187 LEU B O   1 
ATOM   1520 C CB  . LEU A 1 181 ? -29.942 -3.615  -21.931 1.00 10.15 ? 187 LEU B CB  1 
ATOM   1521 C CG  . LEU A 1 181 ? -30.971 -4.550  -21.297 1.00 10.94 ? 187 LEU B CG  1 
ATOM   1522 C CD1 . LEU A 1 181 ? -31.167 -5.813  -22.114 1.00 11.44 ? 187 LEU B CD1 1 
ATOM   1523 C CD2 . LEU A 1 181 ? -30.626 -4.942  -19.873 1.00 11.60 ? 187 LEU B CD2 1 
ATOM   1524 N N   . LYS A 1 182 ? -27.543 -1.371  -21.258 1.00 10.02 ? 188 LYS B N   1 
ATOM   1525 C CA  . LYS A 1 182 ? -26.396 -0.612  -21.811 1.00 11.12 ? 188 LYS B CA  1 
ATOM   1526 C C   . LYS A 1 182 ? -25.156 -1.501  -21.770 1.00 11.06 ? 188 LYS B C   1 
ATOM   1527 O O   . LYS A 1 182 ? -24.801 -2.023  -20.683 1.00 12.04 ? 188 LYS B O   1 
ATOM   1528 C CB  . LYS A 1 182 ? -26.109 0.688   -21.042 1.00 13.02 ? 188 LYS B CB  1 
ATOM   1529 C CG  . LYS A 1 182 ? -27.269 1.642   -20.833 1.00 16.32 ? 188 LYS B CG  1 
ATOM   1530 C CD  . LYS A 1 182 ? -26.844 2.973   -20.187 1.00 20.08 ? 188 LYS B CD  1 
ATOM   1531 C CE  . LYS A 1 182 ? -27.980 3.827   -19.676 1.00 24.18 ? 188 LYS B CE  1 
ATOM   1532 N NZ  . LYS A 1 182 ? -27.419 4.981   -18.928 1.00 30.18 ? 188 LYS B NZ  1 
ATOM   1533 N N   . LEU A 1 183 ? -24.408 -1.555  -22.837 1.00 10.85 ? 189 LEU B N   1 
ATOM   1534 C CA  . LEU A 1 183 ? -23.073 -2.211  -22.841 1.00 11.44 ? 189 LEU B CA  1 
ATOM   1535 C C   . LEU A 1 183 ? -22.079 -1.260  -22.196 1.00 13.28 ? 189 LEU B C   1 
ATOM   1536 O O   . LEU A 1 183 ? -21.906 -0.108  -22.728 1.00 16.51 ? 189 LEU B O   1 
ATOM   1537 C CB  . LEU A 1 183 ? -22.715 -2.590  -24.271 1.00 12.67 ? 189 LEU B CB  1 
ATOM   1538 C CG  . LEU A 1 183 ? -23.463 -3.837  -24.743 1.00 13.66 ? 189 LEU B CG  1 
ATOM   1539 C CD1 . LEU A 1 183 ? -23.656 -3.907  -26.245 1.00 16.99 ? 189 LEU B CD1 1 
ATOM   1540 C CD2 . LEU A 1 183 ? -22.821 -5.117  -24.179 1.00 11.88 ? 189 LEU B CD2 1 
ATOM   1541 N N   . CYS A 1 184 ? -21.471 -1.701  -21.114 1.00 14.37 ? 190 CYS B N   1 
ATOM   1542 C CA  . CYS A 1 184 ? -20.542 -0.862  -20.292 1.00 16.96 ? 190 CYS B CA  1 
ATOM   1543 C C   . CYS A 1 184 ? -19.172 -0.778  -20.934 1.00 18.85 ? 190 CYS B C   1 
ATOM   1544 O O   . CYS A 1 184 ? -18.681 -1.733  -21.505 1.00 20.27 ? 190 CYS B O   1 
ATOM   1545 C CB  . CYS A 1 184 ? -20.224 -1.516  -18.959 1.00 18.58 ? 190 CYS B CB  1 
ATOM   1546 S SG  . CYS A 1 184 ? -21.647 -2.066  -18.034 1.00 19.93 ? 190 CYS B SG  1 
ATOM   1547 N N   . PRO A 1 185 ? -18.483 0.377   -20.805 1.00 24.63 ? 191 PRO B N   1 
ATOM   1548 C CA  . PRO A 1 185 ? -17.181 0.560   -21.419 1.00 29.63 ? 191 PRO B CA  1 
ATOM   1549 C C   . PRO A 1 185 ? -16.193 -0.354  -20.691 1.00 27.96 ? 191 PRO B C   1 
ATOM   1550 O O   . PRO A 1 185 ? -16.358 -0.595  -19.495 1.00 30.02 ? 191 PRO B O   1 
ATOM   1551 C CB  . PRO A 1 185 ? -16.923 2.072   -21.252 1.00 28.50 ? 191 PRO B CB  1 
ATOM   1552 C CG  . PRO A 1 185 ? -17.711 2.443   -20.033 1.00 29.25 ? 191 PRO B CG  1 
ATOM   1553 C CD  . PRO A 1 185 ? -18.954 1.584   -20.109 1.00 26.67 ? 191 PRO B CD  1 
ATOM   1554 N N   . LEU A 1 186 ? -15.208 -0.821  -21.459 1.00 34.70 ? 192 LEU B N   1 
ATOM   1555 C CA  . LEU A 1 186 ? -13.964 -1.520  -21.037 1.00 36.13 ? 192 LEU B CA  1 
ATOM   1556 C C   . LEU A 1 186 ? -13.171 -0.654  -20.055 1.00 42.22 ? 192 LEU B C   1 
ATOM   1557 O O   . LEU A 1 186 ? -12.263 -1.187  -19.395 1.00 45.50 ? 192 LEU B O   1 
ATOM   1558 C CB  . LEU A 1 186 ? -13.126 -1.791  -22.290 1.00 36.43 ? 192 LEU B CB  1 
HETATM 1559 N N1  . T6J B 2 .   ? -45.524 -5.171  -26.734 0.36 18.39 ? 201 T6J B N1  1 
HETATM 1560 C C4  . T6J B 2 .   ? -42.458 -6.534  -27.962 0.36 18.10 ? 201 T6J B C4  1 
HETATM 1561 C C5  . T6J B 2 .   ? -42.835 -7.700  -28.633 0.36 18.24 ? 201 T6J B C5  1 
HETATM 1562 C C6  . T6J B 2 .   ? -44.177 -8.083  -28.692 0.36 18.54 ? 201 T6J B C6  1 
HETATM 1563 C C7  . T6J B 2 .   ? -45.152 -7.298  -28.092 0.36 18.46 ? 201 T6J B C7  1 
HETATM 1564 C C8  . T6J B 2 .   ? -44.784 -6.110  -27.406 0.36 18.35 ? 201 T6J B C8  1 
HETATM 1565 N N   . T6J B 2 .   ? -43.451 -4.575  -26.623 0.36 18.92 ? 201 T6J B N   1 
HETATM 1566 C C   . T6J B 2 .   ? -46.463 -4.448  -23.205 0.36 18.18 ? 201 T6J B C   1 
HETATM 1567 O O   . T6J B 2 .   ? -43.888 -3.992  -23.197 0.36 17.57 ? 201 T6J B O   1 
HETATM 1568 C C1  . T6J B 2 .   ? -45.057 -3.008  -25.455 0.36 18.99 ? 201 T6J B C1  1 
HETATM 1569 C C2  . T6J B 2 .   ? -44.689 -4.247  -26.263 0.36 19.18 ? 201 T6J B C2  1 
HETATM 1570 C C3  . T6J B 2 .   ? -43.469 -5.728  -27.337 0.36 18.66 ? 201 T6J B C3  1 
HETATM 1571 O O1  . T6J B 2 .   ? -45.114 -2.133  -22.882 0.36 19.95 ? 201 T6J B O1  1 
HETATM 1572 S S   . T6J B 2 .   ? -45.107 -3.369  -23.673 0.36 18.15 ? 201 T6J B S   1 
HETATM 1573 C C1  . EDO C 3 .   ? -50.497 -16.939 -33.274 1.00 34.77 ? 202 EDO B C1  1 
HETATM 1574 O O1  . EDO C 3 .   ? -49.180 -16.445 -33.158 1.00 28.94 ? 202 EDO B O1  1 
HETATM 1575 C C2  . EDO C 3 .   ? -51.130 -17.073 -31.956 1.00 34.62 ? 202 EDO B C2  1 
HETATM 1576 O O2  . EDO C 3 .   ? -51.165 -15.823 -31.293 1.00 42.31 ? 202 EDO B O2  1 
HETATM 1577 S S   . SO4 D 4 .   ? -40.455 -24.612 -26.262 1.00 34.52 ? 203 SO4 B S   1 
HETATM 1578 O O1  . SO4 D 4 .   ? -39.728 -23.658 -27.059 1.00 22.66 ? 203 SO4 B O1  1 
HETATM 1579 O O2  . SO4 D 4 .   ? -41.331 -25.382 -27.097 1.00 40.95 ? 203 SO4 B O2  1 
HETATM 1580 O O3  . SO4 D 4 .   ? -39.500 -25.493 -25.622 1.00 40.86 ? 203 SO4 B O3  1 
HETATM 1581 O O4  . SO4 D 4 .   ? -41.235 -23.947 -25.240 1.00 36.50 ? 203 SO4 B O4  1 
HETATM 1582 O O   . HOH E 5 .   ? -33.767 4.923   -16.831 1.00 32.47 ? 301 HOH B O   1 
HETATM 1583 O O   . HOH E 5 .   ? -26.891 -28.480 -27.892 1.00 18.47 ? 302 HOH B O   1 
HETATM 1584 O O   . HOH E 5 .   ? -38.678 -15.319 -11.641 1.00 28.95 ? 303 HOH B O   1 
HETATM 1585 O O   . HOH E 5 .   ? -45.635 3.674   -34.185 1.00 17.38 ? 304 HOH B O   1 
HETATM 1586 O O   . HOH E 5 .   ? -22.711 -1.800  -9.793  1.00 25.41 ? 305 HOH B O   1 
HETATM 1587 O O   . HOH E 5 .   ? -40.144 -1.123  -9.853  1.00 28.26 ? 306 HOH B O   1 
HETATM 1588 O O   . HOH E 5 .   ? -29.560 -12.464 -37.781 1.00 21.04 ? 307 HOH B O   1 
HETATM 1589 O O   . HOH E 5 .   ? -44.916 7.524   -24.610 1.00 40.08 ? 308 HOH B O   1 
HETATM 1590 O O   . HOH E 5 .   ? -36.220 5.413   -15.824 1.00 23.48 ? 309 HOH B O   1 
HETATM 1591 O O   . HOH E 5 .   ? -13.454 -23.521 -31.673 1.00 13.40 ? 310 HOH B O   1 
HETATM 1592 O O   . HOH E 5 .   ? -18.722 -21.935 -35.835 1.00 14.65 ? 311 HOH B O   1 
HETATM 1593 O O   . HOH E 5 .   ? -38.323 0.503   -11.983 1.00 32.99 ? 312 HOH B O   1 
HETATM 1594 O O   . HOH E 5 .   ? -37.935 2.891   -22.848 1.00 18.17 ? 313 HOH B O   1 
HETATM 1595 O O   . HOH E 5 .   ? -24.531 -30.982 -21.989 1.00 30.41 ? 314 HOH B O   1 
HETATM 1596 O O   . HOH E 5 .   ? -47.147 -17.055 -31.618 1.00 19.87 ? 315 HOH B O   1 
HETATM 1597 O O   . HOH E 5 .   ? -32.972 1.004   -33.615 1.00 18.01 ? 316 HOH B O   1 
HETATM 1598 O O   . HOH E 5 .   ? -26.382 3.431   -35.291 1.00 29.81 ? 317 HOH B O   1 
HETATM 1599 O O   . HOH E 5 .   ? -15.610 -5.370  -13.648 1.00 27.65 ? 318 HOH B O   1 
HETATM 1600 O O   . HOH E 5 .   ? -36.899 -16.339 -39.389 1.00 25.86 ? 319 HOH B O   1 
HETATM 1601 O O   . HOH E 5 .   ? -35.885 -22.523 -19.653 1.00 22.97 ? 320 HOH B O   1 
HETATM 1602 O O   . HOH E 5 .   ? -35.713 -19.224 -30.541 1.00 27.04 ? 321 HOH B O   1 
HETATM 1603 O O   . HOH E 5 .   ? -45.504 0.088   -11.883 1.00 20.00 ? 322 HOH B O   1 
HETATM 1604 O O   . HOH E 5 .   ? -43.843 -0.442  -24.476 1.00 28.25 ? 323 HOH B O   1 
HETATM 1605 O O   . HOH E 5 .   ? -12.667 -21.291 -18.726 1.00 24.77 ? 324 HOH B O   1 
HETATM 1606 O O   . HOH E 5 .   ? -25.965 -22.646 -35.879 1.00 24.76 ? 325 HOH B O   1 
HETATM 1607 O O   . HOH E 5 .   ? -36.639 -23.084 -30.739 1.00 30.20 ? 326 HOH B O   1 
HETATM 1608 O O   . HOH E 5 .   ? -19.414 -29.694 -15.532 1.00 26.36 ? 327 HOH B O   1 
HETATM 1609 O O   . HOH E 5 .   ? -30.849 -6.688  -11.379 1.00 13.39 ? 328 HOH B O   1 
HETATM 1610 O O   . HOH E 5 .   ? -45.201 -12.383 -26.598 1.00 30.55 ? 329 HOH B O   1 
HETATM 1611 O O   . HOH E 5 .   ? -47.086 1.534   -25.582 1.00 34.36 ? 330 HOH B O   1 
HETATM 1612 O O   . HOH E 5 .   ? -9.061  -13.477 -25.316 1.00 29.99 ? 331 HOH B O   1 
HETATM 1613 O O   . HOH E 5 .   ? -37.322 -25.521 -11.419 1.00 36.33 ? 332 HOH B O   1 
HETATM 1614 O O   . HOH E 5 .   ? -36.770 -25.977 -23.746 1.00 30.60 ? 333 HOH B O   1 
HETATM 1615 O O   . HOH E 5 .   ? -17.603 -21.331 -12.464 1.00 15.60 ? 334 HOH B O   1 
HETATM 1616 O O   . HOH E 5 .   ? -38.366 3.820   -42.119 1.00 27.87 ? 335 HOH B O   1 
HETATM 1617 O O   . HOH E 5 .   ? -49.739 -1.911  -19.474 1.00 25.61 ? 336 HOH B O   1 
HETATM 1618 O O   . HOH E 5 .   ? -26.495 -25.718 -16.393 1.00 15.37 ? 337 HOH B O   1 
HETATM 1619 O O   . HOH E 5 .   ? -38.721 -2.510  -21.376 1.00 13.75 ? 338 HOH B O   1 
HETATM 1620 O O   . HOH E 5 .   ? -9.414  -18.732 -30.119 1.00 41.42 ? 339 HOH B O   1 
HETATM 1621 O O   . HOH E 5 .   ? -32.928 -18.109 -37.252 1.00 29.14 ? 340 HOH B O   1 
HETATM 1622 O O   . HOH E 5 .   ? -21.370 -6.007  -2.108  1.00 41.38 ? 341 HOH B O   1 
HETATM 1623 O O   . HOH E 5 .   ? -38.568 -7.656  -10.795 1.00 13.35 ? 342 HOH B O   1 
HETATM 1624 O O   . HOH E 5 .   ? -16.152 -19.615 -15.712 1.00 23.27 ? 343 HOH B O   1 
HETATM 1625 O O   . HOH E 5 .   ? -43.010 -15.350 -10.158 1.00 17.61 ? 344 HOH B O   1 
HETATM 1626 O O   . HOH E 5 .   ? -38.002 -14.391 -21.420 1.00 30.89 ? 345 HOH B O   1 
HETATM 1627 O O   . HOH E 5 .   ? -18.534 -4.615  -24.723 1.00 16.03 ? 346 HOH B O   1 
HETATM 1628 O O   . HOH E 5 .   ? -30.845 -20.317 -21.373 1.00 10.81 ? 347 HOH B O   1 
HETATM 1629 O O   . HOH E 5 .   ? -36.306 -1.866  -33.812 1.00 15.35 ? 348 HOH B O   1 
HETATM 1630 O O   . HOH E 5 .   ? -17.606 -27.590 -19.671 1.00 16.54 ? 349 HOH B O   1 
HETATM 1631 O O   . HOH E 5 .   ? -34.092 -22.033 -31.435 1.00 16.69 ? 350 HOH B O   1 
HETATM 1632 O O   . HOH E 5 .   ? -16.790 -5.595  -9.326  1.00 28.95 ? 351 HOH B O   1 
HETATM 1633 O O   . HOH E 5 .   ? -42.281 -3.912  -39.524 1.00 20.45 ? 352 HOH B O   1 
HETATM 1634 O O   . HOH E 5 .   ? -45.842 -14.708 -27.613 1.00 34.56 ? 353 HOH B O   1 
HETATM 1635 O O   . HOH E 5 .   ? -40.297 -14.391 -31.415 1.00 13.08 ? 354 HOH B O   1 
HETATM 1636 O O   . HOH E 5 .   ? -28.390 -21.614 -8.985  1.00 15.23 ? 355 HOH B O   1 
HETATM 1637 O O   . HOH E 5 .   ? -19.383 -4.338  -22.112 1.00 13.84 ? 356 HOH B O   1 
HETATM 1638 O O   . HOH E 5 .   ? -30.769 1.129   -17.130 1.00 21.42 ? 357 HOH B O   1 
HETATM 1639 O O   . HOH E 5 .   ? -27.178 -20.277 -7.035  1.00 15.56 ? 358 HOH B O   1 
HETATM 1640 O O   . HOH E 5 .   ? -19.237 -29.258 -23.542 1.00 21.53 ? 359 HOH B O   1 
HETATM 1641 O O   . HOH E 5 .   ? -23.908 1.256   -10.802 1.00 30.29 ? 360 HOH B O   1 
HETATM 1642 O O   . HOH E 5 .   ? -41.025 -9.372  -36.695 1.00 26.90 ? 361 HOH B O   1 
HETATM 1643 O O   . HOH E 5 .   ? -30.220 -23.919 -34.134 1.00 19.43 ? 362 HOH B O   1 
HETATM 1644 O O   . HOH E 5 .   ? -23.394 4.360   -24.716 1.00 23.57 ? 363 HOH B O   1 
HETATM 1645 O O   . HOH E 5 .   ? -18.044 -4.399  -5.747  1.00 39.14 ? 364 HOH B O   1 
HETATM 1646 O O   . HOH E 5 .   ? -26.568 2.006   -11.075 1.00 22.87 ? 365 HOH B O   1 
HETATM 1647 O O   . HOH E 5 .   ? -32.297 -4.971  -12.991 1.00 11.35 ? 366 HOH B O   1 
HETATM 1648 O O   . HOH E 5 .   ? -41.815 1.415   -22.589 1.00 35.59 ? 367 HOH B O   1 
HETATM 1649 O O   . HOH E 5 .   ? -10.283 -23.555 -21.775 1.00 27.28 ? 368 HOH B O   1 
HETATM 1650 O O   . HOH E 5 .   ? -33.922 -21.846 -36.632 1.00 35.86 ? 369 HOH B O   1 
HETATM 1651 O O   . HOH E 5 .   ? -17.889 -19.884 -37.583 1.00 23.07 ? 370 HOH B O   1 
HETATM 1652 O O   . HOH E 5 .   ? -42.541 -5.817  -12.276 1.00 17.41 ? 371 HOH B O   1 
HETATM 1653 O O   . HOH E 5 .   ? -36.485 -0.977  -22.148 1.00 12.66 ? 372 HOH B O   1 
HETATM 1654 O O   . HOH E 5 .   ? -26.746 -17.647 -7.753  1.00 14.79 ? 373 HOH B O   1 
HETATM 1655 O O   . HOH E 5 .   ? -40.796 -14.515 -8.575  1.00 25.74 ? 374 HOH B O   1 
HETATM 1656 O O   . HOH E 5 .   ? -20.962 -16.422 -5.543  1.00 14.74 ? 375 HOH B O   1 
HETATM 1657 O O   . HOH E 5 .   ? -10.829 -21.179 -25.186 1.00 27.13 ? 376 HOH B O   1 
HETATM 1658 O O   . HOH E 5 .   ? -35.510 -4.699  -42.236 1.00 21.54 ? 377 HOH B O   1 
HETATM 1659 O O   . HOH E 5 .   ? -41.083 -6.046  -38.094 1.00 25.38 ? 378 HOH B O   1 
HETATM 1660 O O   . HOH E 5 .   ? -19.795 1.787   -30.554 1.00 31.68 ? 379 HOH B O   1 
HETATM 1661 O O   . HOH E 5 .   ? -9.408  -20.793 -28.929 1.00 33.03 ? 380 HOH B O   1 
HETATM 1662 O O   . HOH E 5 .   ? -23.366 2.304   -23.072 1.00 26.11 ? 381 HOH B O   1 
HETATM 1663 O O   . HOH E 5 .   ? -25.878 -14.187 -3.020  1.00 25.71 ? 382 HOH B O   1 
HETATM 1664 O O   . HOH E 5 .   ? -37.031 0.782   -15.599 1.00 15.09 ? 383 HOH B O   1 
HETATM 1665 O O   . HOH E 5 .   ? -33.574 -1.874  -38.370 1.00 24.22 ? 384 HOH B O   1 
HETATM 1666 O O   . HOH E 5 .   ? -35.501 -17.155 -8.171  1.00 36.13 ? 385 HOH B O   1 
HETATM 1667 O O   . HOH E 5 .   ? -23.806 -21.047 -38.883 1.00 20.72 ? 386 HOH B O   1 
HETATM 1668 O O   . HOH E 5 .   ? -13.379 -20.977 -35.128 1.00 26.28 ? 387 HOH B O   1 
HETATM 1669 O O   . HOH E 5 .   ? -52.420 -14.163 -29.316 1.00 39.58 ? 388 HOH B O   1 
HETATM 1670 O O   . HOH E 5 .   ? -24.078 -12.354 -6.572  1.00 16.37 ? 389 HOH B O   1 
HETATM 1671 O O   . HOH E 5 .   ? -35.901 -3.791  -10.037 1.00 40.77 ? 390 HOH B O   1 
HETATM 1672 O O   . HOH E 5 .   ? -45.728 -19.699 -31.688 1.00 20.95 ? 391 HOH B O   1 
HETATM 1673 O O   . HOH E 5 .   ? -30.979 4.041   -24.381 1.00 20.96 ? 392 HOH B O   1 
HETATM 1674 O O   . HOH E 5 .   ? -27.797 -27.589 -25.817 1.00 28.97 ? 393 HOH B O   1 
HETATM 1675 O O   . HOH E 5 .   ? -41.633 -9.799  -43.849 1.00 32.98 ? 394 HOH B O   1 
HETATM 1676 O O   . HOH E 5 .   ? -25.333 -10.477 -23.605 1.00 11.65 ? 395 HOH B O   1 
HETATM 1677 O O   . HOH E 5 .   ? -36.434 -0.464  -42.250 1.00 36.30 ? 396 HOH B O   1 
HETATM 1678 O O   . HOH E 5 .   ? -16.025 -11.948 -5.534  1.00 39.44 ? 397 HOH B O   1 
HETATM 1679 O O   . HOH E 5 .   ? -39.830 6.285   -26.291 1.00 35.10 ? 398 HOH B O   1 
HETATM 1680 O O   . HOH E 5 .   ? -25.089 -11.079 -4.208  1.00 20.95 ? 399 HOH B O   1 
HETATM 1681 O O   . HOH E 5 .   ? -41.242 5.386   -28.507 1.00 26.49 ? 400 HOH B O   1 
HETATM 1682 O O   . HOH E 5 .   ? -15.033 -19.766 -37.579 1.00 21.91 ? 401 HOH B O   1 
HETATM 1683 O O   . HOH E 5 .   ? -41.415 -8.496  -13.339 1.00 19.45 ? 402 HOH B O   1 
HETATM 1684 O O   . HOH E 5 .   ? -31.490 3.345   -26.906 1.00 19.78 ? 403 HOH B O   1 
HETATM 1685 O O   . HOH E 5 .   ? -12.686 -18.428 -34.767 1.00 33.10 ? 404 HOH B O   1 
HETATM 1686 O O   . HOH E 5 .   ? -18.368 -17.351 -36.480 1.00 24.37 ? 405 HOH B O   1 
HETATM 1687 O O   . HOH E 5 .   ? -24.874 -15.010 -6.878  1.00 13.53 ? 406 HOH B O   1 
HETATM 1688 O O   . HOH E 5 .   ? -41.107 -8.808  -19.372 1.00 15.03 ? 407 HOH B O   1 
HETATM 1689 O O   . HOH E 5 .   ? -14.448 -16.463 -32.962 1.00 26.93 ? 408 HOH B O   1 
HETATM 1690 O O   . HOH E 5 .   ? -29.034 7.675   -30.293 1.00 29.50 ? 409 HOH B O   1 
HETATM 1691 O O   . HOH E 5 .   ? -33.371 -14.930 -7.012  1.00 19.55 ? 410 HOH B O   1 
HETATM 1692 O O   . HOH E 5 .   ? -25.707 -27.002 -23.845 1.00 15.60 ? 411 HOH B O   1 
HETATM 1693 O O   . HOH E 5 .   ? -18.185 -16.055 -6.154  1.00 19.70 ? 412 HOH B O   1 
HETATM 1694 O O   . HOH E 5 .   ? -9.351  -15.947 -26.567 1.00 24.72 ? 413 HOH B O   1 
HETATM 1695 O O   . HOH E 5 .   ? -13.282 -6.233  -29.208 1.00 28.43 ? 414 HOH B O   1 
HETATM 1696 O O   . HOH E 5 .   ? -34.276 -7.205  -7.984  1.00 24.50 ? 415 HOH B O   1 
HETATM 1697 O O   . HOH E 5 .   ? -42.403 -5.108  -43.758 1.00 20.60 ? 416 HOH B O   1 
HETATM 1698 O O   . HOH E 5 .   ? -39.936 -11.828 -22.703 1.00 30.30 ? 417 HOH B O   1 
HETATM 1699 O O   . HOH E 5 .   ? -17.949 -11.169 -35.664 1.00 23.81 ? 418 HOH B O   1 
HETATM 1700 O O   . HOH E 5 .   ? -16.142 -14.695 -8.656  1.00 28.23 ? 419 HOH B O   1 
HETATM 1701 O O   . HOH E 5 .   ? -39.896 2.674   -16.118 1.00 15.52 ? 420 HOH B O   1 
HETATM 1702 O O   . HOH E 5 .   ? -40.815 6.357   -33.117 1.00 27.64 ? 421 HOH B O   1 
HETATM 1703 O O   . HOH E 5 .   ? -38.791 3.733   -13.579 1.00 34.63 ? 422 HOH B O   1 
HETATM 1704 O O   . HOH E 5 .   ? -43.239 3.712   -18.848 1.00 19.53 ? 423 HOH B O   1 
HETATM 1705 O O   . HOH E 5 .   ? -40.454 -7.468  -34.791 1.00 21.18 ? 424 HOH B O   1 
HETATM 1706 O O   . HOH E 5 .   ? -34.736 -9.032  -6.027  1.00 40.15 ? 425 HOH B O   1 
HETATM 1707 O O   . HOH E 5 .   ? -25.258 7.010   -29.069 1.00 28.30 ? 426 HOH B O   1 
HETATM 1708 O O   . HOH E 5 .   ? -19.959 2.294   -24.103 1.00 36.75 ? 427 HOH B O   1 
HETATM 1709 O O   . HOH E 5 .   ? -30.888 -17.440 -42.786 1.00 33.43 ? 428 HOH B O   1 
HETATM 1710 O O   . HOH E 5 .   ? -24.387 -4.341  -36.973 1.00 33.79 ? 429 HOH B O   1 
HETATM 1711 O O   . HOH E 5 .   ? -16.132 -7.468  -11.364 1.00 25.09 ? 430 HOH B O   1 
HETATM 1712 O O   . HOH E 5 .   ? -32.796 -23.591 -33.535 1.00 31.91 ? 431 HOH B O   1 
HETATM 1713 O O   . HOH E 5 .   ? -47.721 0.000   -32.952 0.50 24.94 ? 432 HOH B O   1 
HETATM 1714 O O   . HOH E 5 .   ? -36.721 -6.614  -8.958  1.00 25.60 ? 433 HOH B O   1 
HETATM 1715 O O   . HOH E 5 .   ? -8.439  -23.054 -30.278 1.00 28.14 ? 434 HOH B O   1 
HETATM 1716 O O   . HOH E 5 .   ? -21.780 6.950   -32.321 1.00 28.29 ? 435 HOH B O   1 
HETATM 1717 O O   . HOH E 5 .   ? -26.273 -28.251 -21.522 1.00 34.53 ? 436 HOH B O   1 
HETATM 1718 O O   . HOH E 5 .   ? -40.134 5.164   -22.117 1.00 26.75 ? 437 HOH B O   1 
HETATM 1719 O O   . HOH E 5 .   ? -45.923 -4.282  -33.980 1.00 20.25 ? 438 HOH B O   1 
HETATM 1720 O O   . HOH E 5 .   ? -36.616 2.124   -43.125 1.00 36.38 ? 439 HOH B O   1 
HETATM 1721 O O   . HOH E 5 .   ? -22.878 3.462   -20.709 1.00 34.04 ? 440 HOH B O   1 
HETATM 1722 O O   . HOH E 5 .   ? -38.837 -16.617 -40.941 1.00 34.34 ? 441 HOH B O   1 
HETATM 1723 O O   . HOH E 5 .   ? -15.936 -22.274 -14.563 1.00 26.03 ? 442 HOH B O   1 
HETATM 1724 O O   . HOH E 5 .   ? -28.339 -27.702 -16.897 1.00 21.61 ? 443 HOH B O   1 
HETATM 1725 O O   . HOH E 5 .   ? -26.344 -31.073 -24.004 1.00 24.63 ? 444 HOH B O   1 
HETATM 1726 O O   . HOH E 5 .   ? -16.073 -26.863 -17.227 1.00 29.85 ? 445 HOH B O   1 
HETATM 1727 O O   . HOH E 5 .   ? -42.231 -13.108 -22.392 1.00 30.30 ? 446 HOH B O   1 
# 
