data_7HNG
# 
_entry.id   7HNG 
# 
_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   7HNG         pdb_00007hng 10.2210/pdb7hng/pdb 
WWPDB D_1001407694 ?            ?                   
# 
_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                        7HNG 
_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 '4-[(furan-2-yl)methyl]-1lambda~6~,4-thiazinane-1,1-dione' 215.269   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    145 ?        ? ? ? 
# 
_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 '4-[(furan-2-yl)methyl]-1lambda~6~,4-thiazinane-1,1-dione' O3D 
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 
O3D non-polymer         . '4-[(furan-2-yl)methyl]-1lambda~6~,4-thiazinane-1,1-dione' ?                 'C9 H13 N O3 S'  215.269 
PHE 'L-peptide linking' y PHENYLALANINE                                              ?                 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE                                                    ?                 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE                                                     ?                 'C3 H7 N O3'     105.093 
SO4 non-polymer         . 'SULFATE ION'                                              ?                 'O4 S -2'        96.063  
THR 'L-peptide linking' y THREONINE                                                  ?                 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN                                                 ?                 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE                                                   ?                 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE                                                     ?                 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   MET 1   7   ?   ?   ?   B . n 
A 1 2   HIS 2   8   8   HIS HIS B . n 
A 1 3   HIS 3   9   9   HIS HIS B . n 
A 1 4   HIS 4   10  10  HIS HIS B . n 
A 1 5   HIS 5   11  11  HIS HIS B . n 
A 1 6   HIS 6   12  12  HIS HIS B . n 
A 1 7   HIS 7   13  13  HIS HIS B . n 
A 1 8   MET 8   14  14  MET MET B . n 
A 1 9   VAL 9   15  15  VAL VAL B . n 
A 1 10  HIS 10  16  16  HIS HIS B . n 
A 1 11  ILE 11  17  17  ILE ILE B . n 
A 1 12  THR 12  18  18  THR THR B . n 
A 1 13  LEU 13  19  19  LEU LEU B . n 
A 1 14  ASP 14  20  20  ASP ASP B . n 
A 1 15  ARG 15  21  21  ARG ARG B . n 
A 1 16  ASN 16  22  22  ASN ASN B . n 
A 1 17  THR 17  23  23  THR THR B . n 
A 1 18  ALA 18  24  24  ALA ALA B . n 
A 1 19  ASN 19  25  25  ASN ASN B . n 
A 1 20  SER 20  26  26  SER SER B . n 
A 1 21  TRP 21  27  27  TRP TRP B . n 
A 1 22  LEU 22  28  28  LEU LEU B . n 
A 1 23  ILE 23  29  29  ILE ILE B . n 
A 1 24  ILE 24  30  30  ILE ILE B . n 
A 1 25  SER 25  31  31  SER SER B . n 
A 1 26  LYS 26  32  32  LYS LYS B . n 
A 1 27  ASP 27  33  33  ASP ASP B . n 
A 1 28  ARG 28  34  34  ARG ARG B . n 
A 1 29  ARG 29  35  35  ARG ARG B . n 
A 1 30  GLN 30  36  36  GLN GLN B . n 
A 1 31  VAL 31  37  37  VAL VAL B . n 
A 1 32  ARG 32  38  38  ARG ARG B . n 
A 1 33  MET 33  39  39  MET MET B . n 
A 1 34  GLY 34  40  40  GLY GLY B . n 
A 1 35  ASP 35  41  41  ASP ASP B . n 
A 1 36  THR 36  42  42  THR THR B . n 
A 1 37  HIS 37  43  43  HIS HIS B . n 
A 1 38  GLN 38  44  44  GLN GLN B . n 
A 1 39  ASN 39  45  45  ASN ASN B . n 
A 1 40  VAL 40  46  46  VAL VAL B . n 
A 1 41  SER 41  47  47  SER SER B . n 
A 1 42  ASP 42  48  48  ASP ASP B . n 
A 1 43  ASN 43  49  49  ASN ASN B . n 
A 1 44  LYS 44  50  50  LYS LYS B . n 
A 1 45  GLU 45  51  51  GLU GLU B . n 
A 1 46  ARG 46  52  52  ARG ARG B . n 
A 1 47  PHE 47  53  53  PHE PHE B . n 
A 1 48  SER 48  54  54  SER SER B . n 
A 1 49  ASN 49  55  55  ASN ASN B . n 
A 1 50  TYR 50  56  56  TYR TYR B . n 
A 1 51  PRO 51  57  57  PRO PRO B . n 
A 1 52  MET 52  58  58  MET MET B . n 
A 1 53  VAL 53  59  59  VAL VAL B . n 
A 1 54  LEU 54  60  60  LEU LEU B . n 
A 1 55  GLY 55  61  61  GLY GLY B . n 
A 1 56  ALA 56  62  62  ALA ALA B . n 
A 1 57  GLN 57  63  63  GLN GLN B . n 
A 1 58  ARG 58  64  64  ARG ARG B . n 
A 1 59  PHE 59  65  65  PHE PHE B . n 
A 1 60  SER 60  66  66  SER SER B . n 
A 1 61  SER 61  67  67  SER SER B . n 
A 1 62  GLY 62  68  68  GLY GLY B . n 
A 1 63  LYS 63  69  69  LYS LYS B . n 
A 1 64  MET 64  70  70  MET MET B . n 
A 1 65  TYR 65  71  71  TYR TYR B . n 
A 1 66  TRP 66  72  72  TRP TRP B . n 
A 1 67  GLU 67  73  73  GLU GLU B . n 
A 1 68  VAL 68  74  74  VAL VAL B . n 
A 1 69  ASP 69  75  75  ASP ASP B . n 
A 1 70  VAL 70  76  76  VAL VAL B . n 
A 1 71  THR 71  77  77  THR THR B . n 
A 1 72  GLN 72  78  78  GLN GLN B . n 
A 1 73  LYS 73  79  79  LYS LYS B . n 
A 1 74  GLU 74  80  80  GLU GLU B . n 
A 1 75  ALA 75  81  81  ALA ALA B . n 
A 1 76  TRP 76  82  82  TRP TRP B . n 
A 1 77  ASP 77  83  83  ASP ASP B . n 
A 1 78  LEU 78  84  84  LEU LEU B . n 
A 1 79  GLY 79  85  85  GLY GLY B . n 
A 1 80  VAL 80  86  86  VAL VAL B . n 
A 1 81  CYS 81  87  87  CYS CYS B . n 
A 1 82  ARG 82  88  88  ARG ARG B . n 
A 1 83  ASP 83  89  89  ASP ASP B . n 
A 1 84  SER 84  90  90  SER SER B . n 
A 1 85  VAL 85  91  91  VAL VAL B . n 
A 1 86  GLN 86  92  92  GLN GLN B . n 
A 1 87  ARG 87  93  93  ARG ARG B . n 
A 1 88  LYS 88  94  94  LYS LYS B . n 
A 1 89  GLY 89  95  95  GLY GLY B . n 
A 1 90  GLN 90  96  96  GLN GLN B . n 
A 1 91  PHE 91  97  97  PHE PHE B . n 
A 1 92  SER 92  98  98  SER SER B . n 
A 1 93  LEU 93  99  99  LEU LEU B . n 
A 1 94  SER 94  100 100 SER SER B . n 
A 1 95  PRO 95  101 101 PRO PRO B . n 
A 1 96  GLU 96  102 102 GLU GLU B . n 
A 1 97  ASN 97  103 103 ASN ASN B . n 
A 1 98  GLY 98  104 104 GLY GLY B . n 
A 1 99  PHE 99  105 105 PHE PHE B . n 
A 1 100 TRP 100 106 106 TRP TRP B . n 
A 1 101 THR 101 107 107 THR THR B . n 
A 1 102 ILE 102 108 108 ILE ILE B . n 
A 1 103 TRP 103 109 109 TRP TRP B . n 
A 1 104 LEU 104 110 110 LEU LEU B . n 
A 1 105 TRP 105 111 111 TRP TRP B . n 
A 1 106 GLN 106 112 112 GLN GLN B . n 
A 1 107 ASP 107 113 113 ASP ASP B . n 
A 1 108 SER 108 114 114 SER SER B . n 
A 1 109 TYR 109 115 115 TYR TYR B . n 
A 1 110 GLU 110 116 116 GLU GLU B . n 
A 1 111 ALA 111 117 117 ALA ALA B . n 
A 1 112 GLY 112 118 118 GLY GLY B . n 
A 1 113 THR 113 119 119 THR THR B . n 
A 1 114 SER 114 120 120 SER SER B . n 
A 1 115 PRO 115 121 121 PRO PRO B . n 
A 1 116 GLN 116 122 122 GLN GLN B . n 
A 1 117 THR 117 123 123 THR THR B . n 
A 1 118 THR 118 124 124 THR THR B . n 
A 1 119 LEU 119 125 125 LEU LEU B . n 
A 1 120 HIS 120 126 126 HIS HIS B . n 
A 1 121 ILE 121 127 127 ILE ILE B . n 
A 1 122 GLN 122 128 128 GLN GLN B . n 
A 1 123 VAL 123 129 129 VAL VAL B . n 
A 1 124 PRO 124 130 130 PRO PRO B . n 
A 1 125 PRO 125 131 131 PRO PRO B . n 
A 1 126 CYS 126 132 132 CYS CYS B . n 
A 1 127 GLN 127 133 133 GLN GLN B . n 
A 1 128 ILE 128 134 134 ILE ILE B . n 
A 1 129 GLY 129 135 135 GLY GLY B . n 
A 1 130 ILE 130 136 136 ILE ILE B . n 
A 1 131 PHE 131 137 137 PHE PHE B . n 
A 1 132 VAL 132 138 138 VAL VAL B . n 
A 1 133 ASP 133 139 139 ASP ASP B . n 
A 1 134 TYR 134 140 140 TYR TYR B . n 
A 1 135 GLU 135 141 141 GLU GLU B . n 
A 1 136 ALA 136 142 142 ALA ALA B . n 
A 1 137 GLY 137 143 143 GLY GLY B . n 
A 1 138 VAL 138 144 144 VAL VAL B . n 
A 1 139 VAL 139 145 145 VAL VAL B . n 
A 1 140 SER 140 146 146 SER SER B . n 
A 1 141 PHE 141 147 147 PHE PHE B . n 
A 1 142 TYR 142 148 148 TYR TYR B . n 
A 1 143 ASN 143 149 149 ASN ASN B . n 
A 1 144 ILE 144 150 150 ILE ILE B . n 
A 1 145 THR 145 151 151 THR THR B . n 
A 1 146 ASP 146 152 152 ASP ASP B . n 
A 1 147 HIS 147 153 153 HIS HIS B . n 
A 1 148 GLY 148 154 154 GLY GLY B . n 
A 1 149 SER 149 155 155 SER SER B . n 
A 1 150 LEU 150 156 156 LEU LEU B . n 
A 1 151 ILE 151 157 157 ILE ILE B . n 
A 1 152 TYR 152 158 158 TYR TYR B . n 
A 1 153 THR 153 159 159 THR THR B . n 
A 1 154 PHE 154 160 160 PHE PHE B . n 
A 1 155 SER 155 161 161 SER SER B . n 
A 1 156 GLU 156 162 162 GLU GLU B . n 
A 1 157 CYS 157 163 163 CYS CYS B . n 
A 1 158 VAL 158 164 164 VAL VAL B . n 
A 1 159 PHE 159 165 165 PHE PHE B . n 
A 1 160 ALA 160 166 166 ALA ALA B . n 
A 1 161 GLY 161 167 167 GLY GLY B . n 
A 1 162 PRO 162 168 168 PRO PRO B . n 
A 1 163 LEU 163 169 169 LEU LEU B . n 
A 1 164 ARG 164 170 170 ARG ARG B . n 
A 1 165 PRO 165 171 171 PRO PRO B . n 
A 1 166 PHE 166 172 172 PHE PHE B . n 
A 1 167 PHE 167 173 173 PHE PHE B . n 
A 1 168 ASN 168 174 174 ASN ASN B . n 
A 1 169 VAL 169 175 175 VAL VAL B . n 
A 1 170 GLY 170 176 176 GLY GLY B . n 
A 1 171 PHE 171 177 177 PHE PHE B . n 
A 1 172 ASN 172 178 178 ASN ASN B . n 
A 1 173 TYR 173 179 179 TYR TYR B . n 
A 1 174 SER 174 180 180 SER SER B . n 
A 1 175 GLY 175 181 181 GLY GLY B . n 
A 1 176 GLY 176 182 182 GLY GLY B . n 
A 1 177 ASN 177 183 183 ASN ASN B . n 
A 1 178 ALA 178 184 184 ALA ALA B . n 
A 1 179 ALA 179 185 185 ALA ALA B . n 
A 1 180 PRO 180 186 186 PRO PRO B . n 
A 1 181 LEU 181 187 187 LEU LEU B . n 
A 1 182 LYS 182 188 188 LYS LYS B . n 
A 1 183 LEU 183 189 189 LEU LEU B . n 
A 1 184 CYS 184 190 190 CYS CYS B . n 
A 1 185 PRO 185 191 191 PRO PRO B . n 
A 1 186 LEU 186 192 192 LEU LEU B . n 
A 1 187 LYS 187 193 ?   ?   ?   B . n 
A 1 188 MET 188 194 ?   ?   ?   B . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        O3D 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   O3D 
_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 O3D 1   201 201 O3D 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 12  HOH HOH B . 
E 5 HOH 2   302 11  HOH HOH B . 
E 5 HOH 3   303 9   HOH HOH B . 
E 5 HOH 4   304 26  HOH HOH B . 
E 5 HOH 5   305 2   HOH HOH B . 
E 5 HOH 6   306 29  HOH HOH B . 
E 5 HOH 7   307 40  HOH HOH B . 
E 5 HOH 8   308 66  HOH HOH B . 
E 5 HOH 9   309 5   HOH HOH B . 
E 5 HOH 10  310 21  HOH HOH B . 
E 5 HOH 11  311 63  HOH HOH B . 
E 5 HOH 12  312 16  HOH HOH B . 
E 5 HOH 13  313 1   HOH HOH B . 
E 5 HOH 14  314 214 HOH HOH B . 
E 5 HOH 15  315 51  HOH HOH B . 
E 5 HOH 16  316 33  HOH HOH B . 
E 5 HOH 17  317 36  HOH HOH B . 
E 5 HOH 18  318 102 HOH HOH B . 
E 5 HOH 19  319 19  HOH HOH B . 
E 5 HOH 20  320 90  HOH HOH B . 
E 5 HOH 21  321 28  HOH HOH B . 
E 5 HOH 22  322 10  HOH HOH B . 
E 5 HOH 23  323 184 HOH HOH B . 
E 5 HOH 24  324 18  HOH HOH B . 
E 5 HOH 25  325 99  HOH HOH B . 
E 5 HOH 26  326 39  HOH HOH B . 
E 5 HOH 27  327 70  HOH HOH B . 
E 5 HOH 28  328 95  HOH HOH B . 
E 5 HOH 29  329 11  HOH HOH B . 
E 5 HOH 30  330 58  HOH HOH B . 
E 5 HOH 31  331 27  HOH HOH B . 
E 5 HOH 32  332 25  HOH HOH B . 
E 5 HOH 33  333 281 HOH HOH B . 
E 5 HOH 34  334 2   HOH HOH B . 
E 5 HOH 35  335 20  HOH HOH B . 
E 5 HOH 36  336 34  HOH HOH B . 
E 5 HOH 37  337 31  HOH HOH B . 
E 5 HOH 38  338 89  HOH HOH B . 
E 5 HOH 39  339 76  HOH HOH B . 
E 5 HOH 40  340 50  HOH HOH B . 
E 5 HOH 41  341 26  HOH HOH B . 
E 5 HOH 42  342 7   HOH HOH B . 
E 5 HOH 43  343 263 HOH HOH B . 
E 5 HOH 44  344 3   HOH HOH B . 
E 5 HOH 45  345 81  HOH HOH B . 
E 5 HOH 46  346 22  HOH HOH B . 
E 5 HOH 47  347 86  HOH HOH B . 
E 5 HOH 48  348 4   HOH HOH B . 
E 5 HOH 49  349 68  HOH HOH B . 
E 5 HOH 50  350 267 HOH HOH B . 
E 5 HOH 51  351 43  HOH HOH B . 
E 5 HOH 52  352 55  HOH HOH B . 
E 5 HOH 53  353 16  HOH HOH B . 
E 5 HOH 54  354 1   HOH HOH B . 
E 5 HOH 55  355 211 HOH HOH B . 
E 5 HOH 56  356 59  HOH HOH B . 
E 5 HOH 57  357 29  HOH HOH B . 
E 5 HOH 58  358 14  HOH HOH B . 
E 5 HOH 59  359 64  HOH HOH B . 
E 5 HOH 60  360 6   HOH HOH B . 
E 5 HOH 61  361 27  HOH HOH B . 
E 5 HOH 62  362 4   HOH HOH B . 
E 5 HOH 63  363 71  HOH HOH B . 
E 5 HOH 64  364 100 HOH HOH B . 
E 5 HOH 65  365 62  HOH HOH B . 
E 5 HOH 66  366 157 HOH HOH B . 
E 5 HOH 67  367 264 HOH HOH B . 
E 5 HOH 68  368 47  HOH HOH B . 
E 5 HOH 69  369 93  HOH HOH B . 
E 5 HOH 70  370 156 HOH HOH B . 
E 5 HOH 71  371 80  HOH HOH B . 
E 5 HOH 72  372 125 HOH HOH B . 
E 5 HOH 73  373 32  HOH HOH B . 
E 5 HOH 74  374 72  HOH HOH B . 
E 5 HOH 75  375 61  HOH HOH B . 
E 5 HOH 76  376 10  HOH HOH B . 
E 5 HOH 77  377 112 HOH HOH B . 
E 5 HOH 78  378 33  HOH HOH B . 
E 5 HOH 79  379 17  HOH HOH B . 
E 5 HOH 80  380 15  HOH HOH B . 
E 5 HOH 81  381 126 HOH HOH B . 
E 5 HOH 82  382 8   HOH HOH B . 
E 5 HOH 83  383 42  HOH HOH B . 
E 5 HOH 84  384 137 HOH HOH B . 
E 5 HOH 85  385 304 HOH HOH B . 
E 5 HOH 86  386 22  HOH HOH B . 
E 5 HOH 87  387 3   HOH HOH B . 
E 5 HOH 88  388 23  HOH HOH B . 
E 5 HOH 89  389 32  HOH HOH B . 
E 5 HOH 90  390 172 HOH HOH B . 
E 5 HOH 91  391 46  HOH HOH B . 
E 5 HOH 92  392 48  HOH HOH B . 
E 5 HOH 93  393 60  HOH HOH B . 
E 5 HOH 94  394 73  HOH HOH B . 
E 5 HOH 95  395 257 HOH HOH B . 
E 5 HOH 96  396 303 HOH HOH B . 
E 5 HOH 97  397 12  HOH HOH B . 
E 5 HOH 98  398 24  HOH HOH B . 
E 5 HOH 99  399 120 HOH HOH B . 
E 5 HOH 100 400 97  HOH HOH B . 
E 5 HOH 101 401 13  HOH HOH B . 
E 5 HOH 102 402 45  HOH HOH B . 
E 5 HOH 103 403 30  HOH HOH B . 
E 5 HOH 104 404 103 HOH HOH B . 
E 5 HOH 105 405 8   HOH HOH B . 
E 5 HOH 106 406 57  HOH HOH B . 
E 5 HOH 107 407 54  HOH HOH B . 
E 5 HOH 108 408 49  HOH HOH B . 
E 5 HOH 109 409 56  HOH HOH B . 
E 5 HOH 110 410 114 HOH HOH B . 
E 5 HOH 111 411 18  HOH HOH B . 
E 5 HOH 112 412 38  HOH HOH B . 
E 5 HOH 113 413 7   HOH HOH B . 
E 5 HOH 114 414 25  HOH HOH B . 
E 5 HOH 115 415 5   HOH HOH B . 
E 5 HOH 116 416 20  HOH HOH B . 
E 5 HOH 117 417 53  HOH HOH B . 
E 5 HOH 118 418 133 HOH HOH B . 
E 5 HOH 119 419 15  HOH HOH B . 
E 5 HOH 120 420 140 HOH HOH B . 
E 5 HOH 121 421 85  HOH HOH B . 
E 5 HOH 122 422 41  HOH HOH B . 
E 5 HOH 123 423 69  HOH HOH B . 
E 5 HOH 124 424 197 HOH HOH B . 
E 5 HOH 125 425 19  HOH HOH B . 
E 5 HOH 126 426 154 HOH HOH B . 
E 5 HOH 127 427 44  HOH HOH B . 
E 5 HOH 128 428 30  HOH HOH B . 
E 5 HOH 129 429 129 HOH HOH B . 
E 5 HOH 130 430 266 HOH HOH B . 
E 5 HOH 131 431 115 HOH HOH B . 
E 5 HOH 132 432 23  HOH HOH B . 
E 5 HOH 133 433 13  HOH HOH B . 
E 5 HOH 134 434 21  HOH HOH B . 
E 5 HOH 135 435 205 HOH HOH B . 
E 5 HOH 136 436 107 HOH HOH B . 
E 5 HOH 137 437 98  HOH HOH B . 
E 5 HOH 138 438 82  HOH HOH B . 
E 5 HOH 139 439 104 HOH HOH B . 
E 5 HOH 140 440 127 HOH HOH B . 
E 5 HOH 141 441 14  HOH HOH B . 
E 5 HOH 142 442 166 HOH HOH B . 
E 5 HOH 143 443 131 HOH HOH B . 
E 5 HOH 144 444 270 HOH HOH B . 
E 5 HOH 145 445 259 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           7HNG 
_cell.length_a           95.436 
_cell.length_b           95.436 
_cell.length_c           45.898 
_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                         7HNG 
_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          7HNG 
_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   49.17 
_exptl_crystal.size_max              ? 
_exptl_crystal.size_mid              ? 
_exptl_crystal.size_min              ? 
_exptl_crystal.size_rad              ? 
_exptl_crystal.description           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.pH              8 
_exptl_crystal_grow.temp            293 
_exptl_crystal_grow.pdbx_details    '4 % PEG 400, 2 M AmmSO4, 0.1 M HEPES pH 8' 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           100 
_diffrn.crystal_id             1 
_diffrn.ambient_temp_details   ? 
# 
_diffrn_detector.detector               PIXEL 
_diffrn_detector.type                   'DECTRIS EIGER2 XE 9M' 
_diffrn_detector.pdbx_collection_date   2024-07-03 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.92134 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'DIAMOND BEAMLINE I04-1' 
_diffrn_source.pdbx_wavelength_list        0.92134 
_diffrn_source.pdbx_synchrotron_site       Diamond 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HNG 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             41.360 
_reflns.d_resolution_high            1.340 
_reflns.number_obs                   45816 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         98.700 
_reflns.pdbx_Rmerge_I_obs            0.122 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        9.800 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              11.900 
_reflns.pdbx_Rrim_I_all              0.127 
_reflns.pdbx_Rpim_I_all              0.035 
_reflns.pdbx_CC_half                 0.998 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     547453 
_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 1.340 1.360  ? 12521 2054 ? 1.635 ? ? ? 6.100  ? 0.500  ? ? ? ? ? ? 88.000 1.806 0.726 0.277 
1 2 7.220 41.360 ? 3968  326  ? 0.066 ? ? ? 12.200 ? 47.300 ? ? ? ? ? ? 99.600 0.069 0.021 0.994 
# 
_refine.entry_id                                 7HNG 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.3400 
_refine.ls_d_res_low                             41.4000 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    98.2700 
_refine.ls_number_reflns_obs                     43486 
_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                          0.1773 
_refine.ls_R_factor_R_work                       0.1760 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.2022 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.8000 
_refine.ls_number_reflns_R_free                  2204 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               17.2400 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.0800 
_refine.aniso_B[2][2]                            0.0800 
_refine.aniso_B[3][3]                            -0.1700 
_refine.aniso_B[1][2]                            0.0000 
_refine.aniso_B[1][3]                            -0.0000 
_refine.aniso_B[2][3]                            -0.0000 
_refine.correlation_coeff_Fo_to_Fc               0.9680 
_refine.correlation_coeff_Fo_to_Fc_free          0.9550 
_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                       0.0560 
_refine.pdbx_overall_ESU_R_Free                  0.0590 
_refine.overall_SU_ML                            0.0500 
_refine.overall_SU_B                             1.3140 
_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                                72.900 
_refine.B_iso_min                                9.650 
_refine.pdbx_overall_phase_error                 ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.pdbx_diffrn_id                           1 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.ls_R_factor_R_free_error_details         ? 
# 
_refine_hist.cycle_id                         final 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.d_res_high                       1.3400 
_refine_hist.d_res_low                        41.4000 
_refine_hist.pdbx_number_atoms_ligand         23 
_refine_hist.number_atoms_solvent             145 
_refine_hist.number_atoms_total               1661 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           30.50 
_refine_hist.pdbx_B_iso_mean_solvent          28.76 
_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       2056 0.011  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1638 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2567 1.689  1.640  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3785 1.430  1.580  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 241  7.027  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 110  26.503 21.182 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 288  12.853 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   22.314 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         224  0.086  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2275 0.010  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     513  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            970  1.373  1.563  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         965  1.358  1.549  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1153 2.178  2.330  ? ? 
# 
_refine_ls_shell.d_res_high                       1.3400 
_refine_ls_shell.d_res_low                        1.3750 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               85.0600 
_refine_ls_shell.number_reflns_R_work             2787 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3250 
_refine_ls_shell.R_factor_R_free                  0.3630 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             122 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                2909 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HNG 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1568344634' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HNG 
_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              7HNG 
_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 7HNG MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HNG HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HNG HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HNG HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HNG HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HNG HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HNG HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HNG 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       -2.68 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 7 ? 
AA2 ? 6 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 LEU A 22  ? ILE A 24  ? LEU B 28  ILE B 30  
AA1 2 GLN A 30  ? MET A 33  ? GLN B 36  MET B 39  
AA1 3 LEU A 181 ? LEU A 183 ? LEU B 187 LEU B 189 
AA1 4 LYS A 63  ? ASP A 69  ? LYS B 69  ASP B 75  
AA1 5 GLN A 127 ? ASP A 133 ? GLN B 133 ASP B 139 
AA1 6 VAL A 138 ? ASN A 143 ? VAL B 144 ASN B 149 
AA1 7 SER A 149 ? PHE A 154 ? SER B 155 PHE B 160 
AA2 1 MET A 52  ? LEU A 54  ? MET B 58  LEU B 60  
AA2 2 LEU A 163 ? ASN A 168 ? LEU B 169 ASN B 174 
AA2 3 TRP A 76  ? ARG A 82  ? TRP B 82  ARG B 88  
AA2 4 PHE A 99  ? TRP A 105 ? PHE B 105 TRP B 111 
AA2 5 SER A 108 ? ALA A 111 ? SER B 114 ALA B 117 
AA2 6 THR A 117 ? THR A 118 ? THR B 123 THR B 124 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N ILE A 23  ? N ILE B 29  O ARG A 32  ? O ARG B 38  
AA1 2 3 N VAL A 31  ? N VAL B 37  O LEU A 181 ? O LEU B 187 
AA1 3 4 O LYS A 182 ? O LYS B 188 N ASP A 69  ? N ASP B 75  
AA1 4 5 N TRP A 66  ? N TRP B 72  O ILE A 130 ? O ILE B 136 
AA1 5 6 N PHE A 131 ? N PHE B 137 O SER A 140 ? O SER B 146 
AA1 6 7 N VAL A 139 ? N VAL B 145 O PHE A 154 ? O PHE B 160 
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                   7HNG 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_symm_contact.id 
_pdbx_validate_symm_contact.PDB_model_num 
_pdbx_validate_symm_contact.auth_atom_id_1 
_pdbx_validate_symm_contact.auth_asym_id_1 
_pdbx_validate_symm_contact.auth_comp_id_1 
_pdbx_validate_symm_contact.auth_seq_id_1 
_pdbx_validate_symm_contact.PDB_ins_code_1 
_pdbx_validate_symm_contact.label_alt_id_1 
_pdbx_validate_symm_contact.site_symmetry_1 
_pdbx_validate_symm_contact.auth_atom_id_2 
_pdbx_validate_symm_contact.auth_asym_id_2 
_pdbx_validate_symm_contact.auth_comp_id_2 
_pdbx_validate_symm_contact.auth_seq_id_2 
_pdbx_validate_symm_contact.PDB_ins_code_2 
_pdbx_validate_symm_contact.label_alt_id_2 
_pdbx_validate_symm_contact.site_symmetry_2 
_pdbx_validate_symm_contact.dist 
1 1 O B HOH 410 ? ? 1_555 O B HOH 410 ? ? 2_455 0.68 
2 1 O B HOH 305 ? ? 1_555 O B HOH 309 ? ? 7_454 2.14 
# 
_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                125.30 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            13.50 
_pdbx_validate_rmsd_angle.angle_standard_deviation   2.10 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASN B 45  ? ? 72.01   36.00 
2 1 GLN B 78  ? ? 59.27   13.98 
3 1 ASP B 152 ? ? -104.46 52.63 
# 
_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 
O3D N1   N N N 260 
O3D C4   C Y N 261 
O3D C5   C Y N 262 
O3D C6   C Y N 263 
O3D C7   C Y N 264 
O3D C8   C N N 265 
O3D C1   C N N 266 
O3D C2   C N N 267 
O3D C3   C N N 268 
O3D C9   C N N 269 
O3D O1   O N N 270 
O3D O2   O N N 271 
O3D O3   O Y N 272 
O3D S1   S N N 273 
O3D H2   H N N 274 
O3D H3   H N N 275 
O3D H4   H N N 276 
O3D H5   H N N 277 
O3D H6   H N N 278 
O3D H7   H N N 279 
O3D H8   H N N 280 
O3D H9   H N N 281 
O3D H10  H N N 282 
O3D H11  H N N 283 
O3D H12  H N N 284 
O3D H13  H N N 285 
O3D H14  H N N 286 
PHE N    N N N 287 
PHE CA   C N S 288 
PHE C    C N N 289 
PHE O    O N N 290 
PHE CB   C N N 291 
PHE CG   C Y N 292 
PHE CD1  C Y N 293 
PHE CD2  C Y N 294 
PHE CE1  C Y N 295 
PHE CE2  C Y N 296 
PHE CZ   C Y N 297 
PHE OXT  O N N 298 
PHE H    H N N 299 
PHE H2   H N N 300 
PHE HA   H N N 301 
PHE HB2  H N N 302 
PHE HB3  H N N 303 
PHE HD1  H N N 304 
PHE HD2  H N N 305 
PHE HE1  H N N 306 
PHE HE2  H N N 307 
PHE HZ   H N N 308 
PHE HXT  H N N 309 
PRO N    N N N 310 
PRO CA   C N S 311 
PRO C    C N N 312 
PRO O    O N N 313 
PRO CB   C N N 314 
PRO CG   C N N 315 
PRO CD   C N N 316 
PRO OXT  O N N 317 
PRO H    H N N 318 
PRO HA   H N N 319 
PRO HB2  H N N 320 
PRO HB3  H N N 321 
PRO HG2  H N N 322 
PRO HG3  H N N 323 
PRO HD2  H N N 324 
PRO HD3  H N N 325 
PRO HXT  H N N 326 
SER N    N N N 327 
SER CA   C N S 328 
SER C    C N N 329 
SER O    O N N 330 
SER CB   C N N 331 
SER OG   O N N 332 
SER OXT  O N N 333 
SER H    H N N 334 
SER H2   H N N 335 
SER HA   H N N 336 
SER HB2  H N N 337 
SER HB3  H N N 338 
SER HG   H N N 339 
SER HXT  H N N 340 
SO4 S    S N N 341 
SO4 O1   O N N 342 
SO4 O2   O N N 343 
SO4 O3   O N N 344 
SO4 O4   O N N 345 
THR N    N N N 346 
THR CA   C N S 347 
THR C    C N N 348 
THR O    O N N 349 
THR CB   C N R 350 
THR OG1  O N N 351 
THR CG2  C N N 352 
THR OXT  O N N 353 
THR H    H N N 354 
THR H2   H N N 355 
THR HA   H N N 356 
THR HB   H N N 357 
THR HG1  H N N 358 
THR HG21 H N N 359 
THR HG22 H N N 360 
THR HG23 H N N 361 
THR HXT  H N N 362 
TRP N    N N N 363 
TRP CA   C N S 364 
TRP C    C N N 365 
TRP O    O N N 366 
TRP CB   C N N 367 
TRP CG   C Y N 368 
TRP CD1  C Y N 369 
TRP CD2  C Y N 370 
TRP NE1  N Y N 371 
TRP CE2  C Y N 372 
TRP CE3  C Y N 373 
TRP CZ2  C Y N 374 
TRP CZ3  C Y N 375 
TRP CH2  C Y N 376 
TRP OXT  O N N 377 
TRP H    H N N 378 
TRP H2   H N N 379 
TRP HA   H N N 380 
TRP HB2  H N N 381 
TRP HB3  H N N 382 
TRP HD1  H N N 383 
TRP HE1  H N N 384 
TRP HE3  H N N 385 
TRP HZ2  H N N 386 
TRP HZ3  H N N 387 
TRP HH2  H N N 388 
TRP HXT  H N N 389 
TYR N    N N N 390 
TYR CA   C N S 391 
TYR C    C N N 392 
TYR O    O N N 393 
TYR CB   C N N 394 
TYR CG   C Y N 395 
TYR CD1  C Y N 396 
TYR CD2  C Y N 397 
TYR CE1  C Y N 398 
TYR CE2  C Y N 399 
TYR CZ   C Y N 400 
TYR OH   O N N 401 
TYR OXT  O N N 402 
TYR H    H N N 403 
TYR H2   H N N 404 
TYR HA   H N N 405 
TYR HB2  H N N 406 
TYR HB3  H N N 407 
TYR HD1  H N N 408 
TYR HD2  H N N 409 
TYR HE1  H N N 410 
TYR HE2  H N N 411 
TYR HH   H N N 412 
TYR HXT  H N N 413 
VAL N    N N N 414 
VAL CA   C N S 415 
VAL C    C N N 416 
VAL O    O N N 417 
VAL CB   C N N 418 
VAL CG1  C N N 419 
VAL CG2  C N N 420 
VAL OXT  O N N 421 
VAL H    H N N 422 
VAL H2   H N N 423 
VAL HA   H N N 424 
VAL HB   H N N 425 
VAL HG11 H N N 426 
VAL HG12 H N N 427 
VAL HG13 H N N 428 
VAL HG21 H N N 429 
VAL HG22 H N N 430 
VAL HG23 H N N 431 
VAL HXT  H N N 432 
# 
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 
O3D C7  C6   doub Y N 246 
O3D C7  O3   sing Y N 247 
O3D C6  C5   sing Y N 248 
O3D O3  C4   sing Y N 249 
O3D C5  C4   doub Y N 250 
O3D C4  C3   sing N N 251 
O3D C3  N1   sing N N 252 
O3D N1  C2   sing N N 253 
O3D N1  C8   sing N N 254 
O3D C2  C1   sing N N 255 
O3D C8  C9   sing N N 256 
O3D C1  S1   sing N N 257 
O3D O1  S1   doub N N 258 
O3D C9  S1   sing N N 259 
O3D S1  O2   doub N N 260 
O3D C5  H2   sing N N 261 
O3D C6  H3   sing N N 262 
O3D C7  H4   sing N N 263 
O3D C8  H5   sing N N 264 
O3D C8  H6   sing N N 265 
O3D C1  H7   sing N N 266 
O3D C1  H8   sing N N 267 
O3D C2  H9   sing N N 268 
O3D C2  H10  sing N N 269 
O3D C3  H11  sing N N 270 
O3D C3  H12  sing N N 271 
O3D C9  H13  sing N N 272 
O3D C9  H14  sing N N 273 
PHE N   CA   sing N N 274 
PHE N   H    sing N N 275 
PHE N   H2   sing N N 276 
PHE CA  C    sing N N 277 
PHE CA  CB   sing N N 278 
PHE CA  HA   sing N N 279 
PHE C   O    doub N N 280 
PHE C   OXT  sing N N 281 
PHE CB  CG   sing N N 282 
PHE CB  HB2  sing N N 283 
PHE CB  HB3  sing N N 284 
PHE CG  CD1  doub Y N 285 
PHE CG  CD2  sing Y N 286 
PHE CD1 CE1  sing Y N 287 
PHE CD1 HD1  sing N N 288 
PHE CD2 CE2  doub Y N 289 
PHE CD2 HD2  sing N N 290 
PHE CE1 CZ   doub Y N 291 
PHE CE1 HE1  sing N N 292 
PHE CE2 CZ   sing Y N 293 
PHE CE2 HE2  sing N N 294 
PHE CZ  HZ   sing N N 295 
PHE OXT HXT  sing N N 296 
PRO N   CA   sing N N 297 
PRO N   CD   sing N N 298 
PRO N   H    sing N N 299 
PRO CA  C    sing N N 300 
PRO CA  CB   sing N N 301 
PRO CA  HA   sing N N 302 
PRO C   O    doub N N 303 
PRO C   OXT  sing N N 304 
PRO CB  CG   sing N N 305 
PRO CB  HB2  sing N N 306 
PRO CB  HB3  sing N N 307 
PRO CG  CD   sing N N 308 
PRO CG  HG2  sing N N 309 
PRO CG  HG3  sing N N 310 
PRO CD  HD2  sing N N 311 
PRO CD  HD3  sing N N 312 
PRO OXT HXT  sing N N 313 
SER N   CA   sing N N 314 
SER N   H    sing N N 315 
SER N   H2   sing N N 316 
SER CA  C    sing N N 317 
SER CA  CB   sing N N 318 
SER CA  HA   sing N N 319 
SER C   O    doub N N 320 
SER C   OXT  sing N N 321 
SER CB  OG   sing N N 322 
SER CB  HB2  sing N N 323 
SER CB  HB3  sing N N 324 
SER OG  HG   sing N N 325 
SER OXT HXT  sing N N 326 
SO4 S   O1   doub N N 327 
SO4 S   O2   doub N N 328 
SO4 S   O3   sing N N 329 
SO4 S   O4   sing N N 330 
THR N   CA   sing N N 331 
THR N   H    sing N N 332 
THR N   H2   sing N N 333 
THR CA  C    sing N N 334 
THR CA  CB   sing N N 335 
THR CA  HA   sing N N 336 
THR C   O    doub N N 337 
THR C   OXT  sing N N 338 
THR CB  OG1  sing N N 339 
THR CB  CG2  sing N N 340 
THR CB  HB   sing N N 341 
THR OG1 HG1  sing N N 342 
THR CG2 HG21 sing N N 343 
THR CG2 HG22 sing N N 344 
THR CG2 HG23 sing N N 345 
THR OXT HXT  sing N N 346 
TRP N   CA   sing N N 347 
TRP N   H    sing N N 348 
TRP N   H2   sing N N 349 
TRP CA  C    sing N N 350 
TRP CA  CB   sing N N 351 
TRP CA  HA   sing N N 352 
TRP C   O    doub N N 353 
TRP C   OXT  sing N N 354 
TRP CB  CG   sing N N 355 
TRP CB  HB2  sing N N 356 
TRP CB  HB3  sing N N 357 
TRP CG  CD1  doub Y N 358 
TRP CG  CD2  sing Y N 359 
TRP CD1 NE1  sing Y N 360 
TRP CD1 HD1  sing N N 361 
TRP CD2 CE2  doub Y N 362 
TRP CD2 CE3  sing Y N 363 
TRP NE1 CE2  sing Y N 364 
TRP NE1 HE1  sing N N 365 
TRP CE2 CZ2  sing Y N 366 
TRP CE3 CZ3  doub Y N 367 
TRP CE3 HE3  sing N N 368 
TRP CZ2 CH2  doub Y N 369 
TRP CZ2 HZ2  sing N N 370 
TRP CZ3 CH2  sing Y N 371 
TRP CZ3 HZ3  sing N N 372 
TRP CH2 HH2  sing N N 373 
TRP OXT HXT  sing N N 374 
TYR N   CA   sing N N 375 
TYR N   H    sing N N 376 
TYR N   H2   sing N N 377 
TYR CA  C    sing N N 378 
TYR CA  CB   sing N N 379 
TYR CA  HA   sing N N 380 
TYR C   O    doub N N 381 
TYR C   OXT  sing N N 382 
TYR CB  CG   sing N N 383 
TYR CB  HB2  sing N N 384 
TYR CB  HB3  sing N N 385 
TYR CG  CD1  doub Y N 386 
TYR CG  CD2  sing Y N 387 
TYR CD1 CE1  sing Y N 388 
TYR CD1 HD1  sing N N 389 
TYR CD2 CE2  doub Y N 390 
TYR CD2 HD2  sing N N 391 
TYR CE1 CZ   doub Y N 392 
TYR CE1 HE1  sing N N 393 
TYR CE2 CZ   sing Y N 394 
TYR CE2 HE2  sing N N 395 
TYR CZ  OH   sing N N 396 
TYR OH  HH   sing N N 397 
TYR OXT HXT  sing N N 398 
VAL N   CA   sing N N 399 
VAL N   H    sing N N 400 
VAL N   H2   sing N N 401 
VAL CA  C    sing N N 402 
VAL CA  CB   sing N N 403 
VAL CA  HA   sing N N 404 
VAL C   O    doub N N 405 
VAL C   OXT  sing N N 406 
VAL CB  CG1  sing N N 407 
VAL CB  CG2  sing N N 408 
VAL CB  HB   sing N N 409 
VAL CG1 HG11 sing N N 410 
VAL CG1 HG12 sing N N 411 
VAL CG1 HG13 sing N N 412 
VAL CG2 HG21 sing N N 413 
VAL CG2 HG22 sing N N 414 
VAL CG2 HG23 sing N N 415 
VAL OXT HXT  sing N N 416 
# 
_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                    7HNG 
_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]   0.021787 
_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   ? -13.310 -12.569 -9.991  1.00 60.39 ? 8   HIS B N   1 
ATOM   2    C CA  . HIS A 1 2   ? -12.780 -13.309 -11.187 1.00 55.54 ? 8   HIS B CA  1 
ATOM   3    C C   . HIS A 1 2   ? -11.654 -12.502 -11.845 1.00 55.74 ? 8   HIS B C   1 
ATOM   4    O O   . HIS A 1 2   ? -11.481 -11.308 -11.485 1.00 56.53 ? 8   HIS B O   1 
ATOM   5    C CB  . HIS A 1 2   ? -13.912 -13.606 -12.184 1.00 49.26 ? 8   HIS B CB  1 
ATOM   6    C CG  . HIS A 1 2   ? -14.533 -12.388 -12.787 1.00 45.21 ? 8   HIS B CG  1 
ATOM   7    N ND1 . HIS A 1 2   ? -13.990 -11.758 -13.893 1.00 42.82 ? 8   HIS B ND1 1 
ATOM   8    C CD2 . HIS A 1 2   ? -15.639 -11.681 -12.459 1.00 42.97 ? 8   HIS B CD2 1 
ATOM   9    C CE1 . HIS A 1 2   ? -14.731 -10.713 -14.213 1.00 42.75 ? 8   HIS B CE1 1 
ATOM   10   N NE2 . HIS A 1 2   ? -15.748 -10.636 -13.355 1.00 40.01 ? 8   HIS B NE2 1 
ATOM   11   N N   . HIS A 1 3   ? -10.960 -13.117 -12.807 1.00 48.87 ? 9   HIS B N   1 
ATOM   12   C CA  . HIS A 1 3   ? -9.821  -12.529 -13.562 1.00 50.38 ? 9   HIS B CA  1 
ATOM   13   C C   . HIS A 1 3   ? -10.049 -12.696 -15.072 1.00 45.55 ? 9   HIS B C   1 
ATOM   14   O O   . HIS A 1 3   ? -9.065  -12.990 -15.784 1.00 46.62 ? 9   HIS B O   1 
ATOM   15   C CB  . HIS A 1 3   ? -8.509  -13.152 -13.051 1.00 57.62 ? 9   HIS B CB  1 
ATOM   16   C CG  . HIS A 1 3   ? -8.358  -13.035 -11.569 1.00 66.62 ? 9   HIS B CG  1 
ATOM   17   N ND1 . HIS A 1 3   ? -7.785  -11.924 -10.964 1.00 68.35 ? 9   HIS B ND1 1 
ATOM   18   C CD2 . HIS A 1 3   ? -8.741  -13.856 -10.564 1.00 71.11 ? 9   HIS B CD2 1 
ATOM   19   C CE1 . HIS A 1 3   ? -7.804  -12.078 -9.655  1.00 71.66 ? 9   HIS B CE1 1 
ATOM   20   N NE2 . HIS A 1 3   ? -8.381  -13.258 -9.383  1.00 72.90 ? 9   HIS B NE2 1 
ATOM   21   N N   . HIS A 1 4   ? -11.291 -12.477 -15.547 1.00 35.57 ? 10  HIS B N   1 
ATOM   22   C CA  . HIS A 1 4   ? -11.718 -12.672 -16.962 1.00 32.06 ? 10  HIS B CA  1 
ATOM   23   C C   . HIS A 1 4   ? -11.688 -11.346 -17.723 1.00 32.03 ? 10  HIS B C   1 
ATOM   24   O O   . HIS A 1 4   ? -11.869 -11.370 -18.959 1.00 28.73 ? 10  HIS B O   1 
ATOM   25   C CB  . HIS A 1 4   ? -13.138 -13.263 -17.038 1.00 29.73 ? 10  HIS B CB  1 
ATOM   26   C CG  . HIS A 1 4   ? -13.249 -14.629 -16.457 1.00 29.44 ? 10  HIS B CG  1 
ATOM   27   N ND1 . HIS A 1 4   ? -12.341 -15.638 -16.747 1.00 29.37 ? 10  HIS B ND1 1 
ATOM   28   C CD2 . HIS A 1 4   ? -14.166 -15.167 -15.626 1.00 27.69 ? 10  HIS B CD2 1 
ATOM   29   C CE1 . HIS A 1 4   ? -12.698 -16.733 -16.109 1.00 33.66 ? 10  HIS B CE1 1 
ATOM   30   N NE2 . HIS A 1 4   ? -13.814 -16.467 -15.423 1.00 30.76 ? 10  HIS B NE2 1 
ATOM   31   N N   . HIS A 1 5   ? -11.485 -10.228 -17.018 1.00 32.48 ? 11  HIS B N   1 
ATOM   32   C CA  . HIS A 1 5   ? -11.589 -8.846  -17.561 1.00 33.97 ? 11  HIS B CA  1 
ATOM   33   C C   . HIS A 1 5   ? -10.705 -8.667  -18.803 1.00 32.86 ? 11  HIS B C   1 
ATOM   34   O O   . HIS A 1 5   ? -11.136 -7.951  -19.731 1.00 34.70 ? 11  HIS B O   1 
ATOM   35   C CB  . HIS A 1 5   ? -11.255 -7.802  -16.474 1.00 39.71 ? 11  HIS B CB  1 
ATOM   36   C CG  . HIS A 1 5   ? -12.144 -7.883  -15.281 1.00 47.80 ? 11  HIS B CG  1 
ATOM   37   N ND1 . HIS A 1 5   ? -11.803 -8.627  -14.157 1.00 53.81 ? 11  HIS B ND1 1 
ATOM   38   C CD2 . HIS A 1 5   ? -13.353 -7.331  -15.021 1.00 51.03 ? 11  HIS B CD2 1 
ATOM   39   C CE1 . HIS A 1 5   ? -12.768 -8.528  -13.255 1.00 55.50 ? 11  HIS B CE1 1 
ATOM   40   N NE2 . HIS A 1 5   ? -13.735 -7.739  -13.763 1.00 50.27 ? 11  HIS B NE2 1 
ATOM   41   N N   . HIS A 1 6   ? -9.541  -9.325  -18.853 1.00 29.41 ? 12  HIS B N   1 
ATOM   42   C CA  . HIS A 1 6   ? -8.546  -9.218  -19.959 1.00 29.85 ? 12  HIS B CA  1 
ATOM   43   C C   . HIS A 1 6   ? -9.057  -9.808  -21.276 1.00 27.13 ? 12  HIS B C   1 
ATOM   44   O O   . HIS A 1 6   ? -8.440  -9.555  -22.323 1.00 30.43 ? 12  HIS B O   1 
ATOM   45   C CB  . HIS A 1 6   ? -7.195  -9.834  -19.557 1.00 34.05 ? 12  HIS B CB  1 
ATOM   46   C CG  . HIS A 1 6   ? -7.214  -11.271 -19.160 1.00 33.32 ? 12  HIS B CG  1 
ATOM   47   N ND1 . HIS A 1 6   ? -6.592  -12.253 -19.916 1.00 38.14 ? 12  HIS B ND1 1 
ATOM   48   C CD2 . HIS A 1 6   ? -7.721  -11.898 -18.076 1.00 35.28 ? 12  HIS B CD2 1 
ATOM   49   C CE1 . HIS A 1 6   ? -6.725  -13.416 -19.323 1.00 34.66 ? 12  HIS B CE1 1 
ATOM   50   N NE2 . HIS A 1 6   ? -7.423  -13.233 -18.197 1.00 39.83 ? 12  HIS B NE2 1 
ATOM   51   N N   . HIS A 1 7   ? -10.122 -10.602 -21.256 1.00 23.33 ? 13  HIS B N   1 
ATOM   52   C CA  . HIS A 1 7   ? -10.768 -11.163 -22.474 1.00 21.40 ? 13  HIS B CA  1 
ATOM   53   C C   . HIS A 1 7   ? -11.885 -10.243 -22.944 1.00 20.13 ? 13  HIS B C   1 
ATOM   54   O O   . HIS A 1 7   ? -12.733 -10.695 -23.742 1.00 18.44 ? 13  HIS B O   1 
ATOM   55   C CB  . HIS A 1 7   ? -11.322 -12.545 -22.193 1.00 20.95 ? 13  HIS B CB  1 
ATOM   56   C CG  . HIS A 1 7   ? -10.263 -13.513 -21.779 1.00 21.45 ? 13  HIS B CG  1 
ATOM   57   N ND1 . HIS A 1 7   ? -9.228  -13.866 -22.635 1.00 23.66 ? 13  HIS B ND1 1 
ATOM   58   C CD2 . HIS A 1 7   ? -10.109 -14.205 -20.638 1.00 23.46 ? 13  HIS B CD2 1 
ATOM   59   C CE1 . HIS A 1 7   ? -8.454  -14.726 -22.010 1.00 22.10 ? 13  HIS B CE1 1 
ATOM   60   N NE2 . HIS A 1 7   ? -8.958  -14.956 -20.793 1.00 25.63 ? 13  HIS B NE2 1 
ATOM   61   N N   . MET A 1 8   ? -11.923 -9.013  -22.449 1.00 20.99 ? 14  MET B N   1 
ATOM   62   C CA  . MET A 1 8   ? -12.960 -8.012  -22.812 1.00 23.49 ? 14  MET B CA  1 
ATOM   63   C C   . MET A 1 8   ? -13.050 -7.878  -24.338 1.00 23.25 ? 14  MET B C   1 
ATOM   64   O O   . MET A 1 8   ? -12.000 -7.758  -25.047 1.00 24.44 ? 14  MET B O   1 
ATOM   65   C CB  . MET A 1 8   ? -12.630 -6.653  -22.185 1.00 28.99 ? 14  MET B CB  1 
ATOM   66   C CG  . MET A 1 8   ? -13.658 -5.542  -22.453 1.00 33.99 ? 14  MET B CG  1 
ATOM   67   S SD  . MET A 1 8   ? -15.273 -5.771  -21.611 1.00 43.81 ? 14  MET B SD  1 
ATOM   68   C CE  . MET A 1 8   ? -14.882 -5.196  -19.960 1.00 36.50 ? 14  MET B CE  1 
ATOM   69   N N   . VAL A 1 9   ? -14.281 -7.841  -24.855 1.00 18.97 ? 15  VAL B N   1 
ATOM   70   C CA  . VAL A 1 9   ? -14.593 -7.632  -26.292 1.00 19.62 ? 15  VAL B CA  1 
ATOM   71   C C   . VAL A 1 9   ? -15.581 -6.459  -26.379 1.00 19.74 ? 15  VAL B C   1 
ATOM   72   O O   . VAL A 1 9   ? -16.427 -6.286  -25.481 1.00 19.79 ? 15  VAL B O   1 
ATOM   73   C CB  . VAL A 1 9   ? -15.118 -8.902  -26.986 1.00 20.11 ? 15  VAL B CB  1 
ATOM   74   C CG1 . VAL A 1 9   ? -14.022 -9.944  -27.134 1.00 22.49 ? 15  VAL B CG1 1 
ATOM   75   C CG2 . VAL A 1 9   ? -16.314 -9.525  -26.303 1.00 20.36 ? 15  VAL B CG2 1 
ATOM   76   N N   . HIS A 1 10  ? -15.520 -5.709  -27.461 1.00 19.97 ? 16  HIS B N   1 
ATOM   77   C CA  . HIS A 1 10  ? -16.400 -4.535  -27.694 1.00 19.60 ? 16  HIS B CA  1 
ATOM   78   C C   . HIS A 1 10  ? -17.632 -5.030  -28.454 1.00 19.92 ? 16  HIS B C   1 
ATOM   79   O O   . HIS A 1 10  ? -17.493 -5.468  -29.594 1.00 22.50 ? 16  HIS B O   1 
ATOM   80   C CB  . HIS A 1 10  ? -15.669 -3.460  -28.487 1.00 20.59 ? 16  HIS B CB  1 
ATOM   81   C CG  . HIS A 1 10  ? -16.461 -2.211  -28.738 1.00 25.34 ? 16  HIS B CG  1 
ATOM   82   N ND1 . HIS A 1 10  ? -16.615 -1.219  -27.781 1.00 29.45 ? 16  HIS B ND1 1 
ATOM   83   C CD2 . HIS A 1 10  ? -17.112 -1.782  -29.842 1.00 27.99 ? 16  HIS B CD2 1 
ATOM   84   C CE1 . HIS A 1 10  ? -17.338 -0.228  -28.287 1.00 25.32 ? 16  HIS B CE1 1 
ATOM   85   N NE2 . HIS A 1 10  ? -17.686 -0.576  -29.547 1.00 29.41 ? 16  HIS B NE2 1 
ATOM   86   N N   . ILE A 1 11  ? -18.756 -5.150  -27.774 1.00 16.07 ? 17  ILE B N   1 
ATOM   87   C CA  . ILE A 1 11  ? -19.988 -5.701  -28.400 1.00 16.44 ? 17  ILE B CA  1 
ATOM   88   C C   . ILE A 1 11  ? -20.802 -4.512  -28.942 1.00 16.91 ? 17  ILE B C   1 
ATOM   89   O O   . ILE A 1 11  ? -20.845 -3.484  -28.291 1.00 16.01 ? 17  ILE B O   1 
ATOM   90   C CB  . ILE A 1 11  ? -20.805 -6.508  -27.366 1.00 16.07 ? 17  ILE B CB  1 
ATOM   91   C CG1 . ILE A 1 11  ? -20.029 -7.719  -26.831 1.00 16.87 ? 17  ILE B CG1 1 
ATOM   92   C CG2 . ILE A 1 11  ? -22.145 -6.911  -27.964 1.00 15.67 ? 17  ILE B CG2 1 
ATOM   93   C CD1 . ILE A 1 11  ? -19.430 -8.626  -27.870 1.00 16.60 ? 17  ILE B CD1 1 
ATOM   94   N N   . THR A 1 12  ? -21.427 -4.704  -30.078 1.00 15.41 ? 18  THR B N   1 
ATOM   95   C CA  . THR A 1 12  ? -22.403 -3.741  -30.665 1.00 15.85 ? 18  THR B CA  1 
ATOM   96   C C   . THR A 1 12  ? -23.678 -4.512  -31.006 1.00 15.85 ? 18  THR B C   1 
ATOM   97   O O   . THR A 1 12  ? -23.630 -5.721  -31.290 1.00 17.62 ? 18  THR B O   1 
ATOM   98   C CB  . THR A 1 12  ? -21.825 -2.991  -31.867 1.00 17.63 ? 18  THR B CB  1 
ATOM   99   O OG1 . THR A 1 12  ? -21.471 -3.909  -32.884 1.00 18.68 ? 18  THR B OG1 1 
ATOM   100  C CG2 . THR A 1 12  ? -20.622 -2.134  -31.537 1.00 20.66 ? 18  THR B CG2 1 
ATOM   101  N N   . LEU A 1 13  ? -24.809 -3.815  -30.964 1.00 14.53 ? 19  LEU B N   1 
ATOM   102  C CA  . LEU A 1 13  ? -26.118 -4.448  -31.240 1.00 15.43 ? 19  LEU B CA  1 
ATOM   103  C C   . LEU A 1 13  ? -26.402 -4.453  -32.736 1.00 15.65 ? 19  LEU B C   1 
ATOM   104  O O   . LEU A 1 13  ? -26.083 -3.444  -33.408 1.00 17.33 ? 19  LEU B O   1 
ATOM   105  C CB  . LEU A 1 13  ? -27.160 -3.670  -30.444 1.00 15.15 ? 19  LEU B CB  1 
ATOM   106  C CG  . LEU A 1 13  ? -26.943 -3.734  -28.940 1.00 16.42 ? 19  LEU B CG  1 
ATOM   107  C CD1 . LEU A 1 13  ? -27.894 -2.824  -28.177 1.00 17.10 ? 19  LEU B CD1 1 
ATOM   108  C CD2 . LEU A 1 13  ? -27.039 -5.171  -28.414 1.00 18.16 ? 19  LEU B CD2 1 
ATOM   109  N N   . ASP A 1 14  ? -27.053 -5.482  -33.225 1.00 14.66 ? 20  ASP B N   1 
ATOM   110  C CA  . ASP A 1 14  ? -27.417 -5.628  -34.645 1.00 15.76 ? 20  ASP B CA  1 
ATOM   111  C C   . ASP A 1 14  ? -28.903 -5.233  -34.815 1.00 16.32 ? 20  ASP B C   1 
ATOM   112  O O   . ASP A 1 14  ? -29.764 -6.047  -34.508 1.00 14.47 ? 20  ASP B O   1 
ATOM   113  C CB  . ASP A 1 14  ? -27.093 -7.034  -35.143 1.00 15.50 ? 20  ASP B CB  1 
ATOM   114  C CG  . ASP A 1 14  ? -27.463 -7.319  -36.584 1.00 20.20 ? 20  ASP B CG  1 
ATOM   115  O OD1 . ASP A 1 14  ? -28.133 -6.458  -37.164 1.00 18.32 ? 20  ASP B OD1 1 
ATOM   116  O OD2 . ASP A 1 14  ? -27.096 -8.402  -37.096 1.00 17.82 ? 20  ASP B OD2 1 
ATOM   117  N N   A ARG A 1 15  ? -29.140 -3.999  -35.303 0.25 17.21 ? 21  ARG B N   1 
ATOM   118  N N   B ARG A 1 15  ? -29.171 -4.012  -35.298 0.25 17.74 ? 21  ARG B N   1 
ATOM   119  C CA  A ARG A 1 15  ? -30.469 -3.390  -35.622 0.25 18.58 ? 21  ARG B CA  1 
ATOM   120  C CA  B ARG A 1 15  ? -30.543 -3.456  -35.483 0.25 19.33 ? 21  ARG B CA  1 
ATOM   121  C C   A ARG A 1 15  ? -31.378 -4.388  -36.338 0.25 17.28 ? 21  ARG B C   1 
ATOM   122  C C   B ARG A 1 15  ? -31.405 -4.387  -36.347 0.25 17.78 ? 21  ARG B C   1 
ATOM   123  O O   A ARG A 1 15  ? -32.575 -4.427  -36.026 0.25 17.36 ? 21  ARG B O   1 
ATOM   124  O O   B ARG A 1 15  ? -32.619 -4.409  -36.123 0.25 17.86 ? 21  ARG B O   1 
ATOM   125  C CB  A ARG A 1 15  ? -30.336 -2.183  -36.569 0.25 19.06 ? 21  ARG B CB  1 
ATOM   126  C CB  B ARG A 1 15  ? -30.483 -2.056  -36.115 0.25 21.09 ? 21  ARG B CB  1 
ATOM   127  C CG  A ARG A 1 15  ? -29.229 -1.202  -36.218 0.25 20.98 ? 21  ARG B CG  1 
ATOM   128  C CG  B ARG A 1 15  ? -29.829 -0.993  -35.244 0.25 23.21 ? 21  ARG B CG  1 
ATOM   129  C CD  A ARG A 1 15  ? -29.363 0.157   -36.894 0.25 20.68 ? 21  ARG B CD  1 
ATOM   130  C CD  B ARG A 1 15  ? -28.386 -0.699  -35.638 0.25 26.71 ? 21  ARG B CD  1 
ATOM   131  N NE  A ARG A 1 15  ? -28.796 1.194   -36.045 0.25 19.49 ? 21  ARG B NE  1 
ATOM   132  N NE  B ARG A 1 15  ? -28.231 0.375   -36.621 0.25 28.26 ? 21  ARG B NE  1 
ATOM   133  C CZ  A ARG A 1 15  ? -29.467 1.718   -35.038 0.25 18.12 ? 21  ARG B CZ  1 
ATOM   134  C CZ  B ARG A 1 15  ? -27.853 0.222   -37.891 0.25 30.58 ? 21  ARG B CZ  1 
ATOM   135  N NH1 A ARG A 1 15  ? -30.704 1.315   -34.831 0.25 19.21 ? 21  ARG B NH1 1 
ATOM   136  N NH1 B ARG A 1 15  ? -27.566 -0.971  -38.383 0.25 31.93 ? 21  ARG B NH1 1 
ATOM   137  N NH2 A ARG A 1 15  ? -28.922 2.621   -34.252 0.25 19.11 ? 21  ARG B NH2 1 
ATOM   138  N NH2 B ARG A 1 15  ? -27.753 1.281   -38.671 0.25 32.70 ? 21  ARG B NH2 1 
ATOM   139  N N   . ASN A 1 16  ? -30.814 -5.142  -37.277 1.00 17.50 ? 22  ASN B N   1 
ATOM   140  C CA  . ASN A 1 16  ? -31.585 -5.989  -38.212 1.00 18.55 ? 22  ASN B CA  1 
ATOM   141  C C   . ASN A 1 16  ? -32.248 -7.146  -37.468 1.00 15.63 ? 22  ASN B C   1 
ATOM   142  O O   . ASN A 1 16  ? -33.235 -7.662  -37.951 1.00 15.95 ? 22  ASN B O   1 
ATOM   143  C CB  . ASN A 1 16  ? -30.707 -6.425  -39.392 1.00 23.02 ? 22  ASN B CB  1 
ATOM   144  C CG  . ASN A 1 16  ? -30.428 -5.290  -40.362 1.00 30.55 ? 22  ASN B CG  1 
ATOM   145  O OD1 . ASN A 1 16  ? -31.140 -4.289  -40.397 1.00 36.07 ? 22  ASN B OD1 1 
ATOM   146  N ND2 . ASN A 1 16  ? -29.386 -5.440  -41.159 1.00 40.36 ? 22  ASN B ND2 1 
ATOM   147  N N   . THR A 1 17  ? -31.680 -7.574  -36.317 1.00 14.52 ? 23  THR B N   1 
ATOM   148  C CA  . THR A 1 17  ? -32.235 -8.681  -35.515 1.00 14.89 ? 23  THR B CA  1 
ATOM   149  C C   . THR A 1 17  ? -33.270 -8.188  -34.521 1.00 13.55 ? 23  THR B C   1 
ATOM   150  O O   . THR A 1 17  ? -33.948 -9.043  -33.912 1.00 13.45 ? 23  THR B O   1 
ATOM   151  C CB  . THR A 1 17  ? -31.147 -9.477  -34.775 1.00 13.69 ? 23  THR B CB  1 
ATOM   152  O OG1 . THR A 1 17  ? -30.577 -8.650  -33.765 1.00 13.92 ? 23  THR B OG1 1 
ATOM   153  C CG2 . THR A 1 17  ? -30.120 -9.996  -35.765 1.00 14.47 ? 23  THR B CG2 1 
ATOM   154  N N   . ALA A 1 18  ? -33.402 -6.885  -34.318 1.00 13.99 ? 24  ALA B N   1 
ATOM   155  C CA  . ALA A 1 18  ? -34.202 -6.364  -33.193 1.00 13.03 ? 24  ALA B CA  1 
ATOM   156  C C   . ALA A 1 18  ? -35.692 -6.585  -33.448 1.00 13.29 ? 24  ALA B C   1 
ATOM   157  O O   . ALA A 1 18  ? -36.190 -6.304  -34.568 1.00 13.79 ? 24  ALA B O   1 
ATOM   158  C CB  . ALA A 1 18  ? -33.891 -4.909  -32.990 1.00 14.59 ? 24  ALA B CB  1 
ATOM   159  N N   . ASN A 1 19  ? -36.436 -6.894  -32.403 1.00 13.47 ? 25  ASN B N   1 
ATOM   160  C CA  . ASN A 1 19  ? -37.902 -6.678  -32.411 1.00 13.58 ? 25  ASN B CA  1 
ATOM   161  C C   . ASN A 1 19  ? -38.180 -5.240  -32.910 1.00 13.58 ? 25  ASN B C   1 
ATOM   162  O O   . ASN A 1 19  ? -37.474 -4.275  -32.553 1.00 12.97 ? 25  ASN B O   1 
ATOM   163  C CB  . ASN A 1 19  ? -38.444 -6.972  -31.010 1.00 13.95 ? 25  ASN B CB  1 
ATOM   164  C CG  . ASN A 1 19  ? -39.923 -6.722  -30.969 1.00 16.54 ? 25  ASN B CG  1 
ATOM   165  O OD1 . ASN A 1 19  ? -40.347 -5.584  -30.764 1.00 15.91 ? 25  ASN B OD1 1 
ATOM   166  N ND2 . ASN A 1 19  ? -40.699 -7.751  -31.205 1.00 18.65 ? 25  ASN B ND2 1 
ATOM   167  N N   . SER A 1 20  ? -39.242 -5.091  -33.682 1.00 13.78 ? 26  SER B N   1 
ATOM   168  C CA  . SER A 1 20  ? -39.569 -3.820  -34.367 1.00 14.08 ? 26  SER B CA  1 
ATOM   169  C C   . SER A 1 20  ? -39.928 -2.706  -33.399 1.00 14.45 ? 26  SER B C   1 
ATOM   170  O O   . SER A 1 20  ? -40.004 -1.565  -33.896 1.00 15.26 ? 26  SER B O   1 
ATOM   171  C CB  . SER A 1 20  ? -40.670 -4.021  -35.369 1.00 15.31 ? 26  SER B CB  1 
ATOM   172  O OG  . SER A 1 20  ? -41.829 -4.496  -34.706 1.00 19.97 ? 26  SER B OG  1 
ATOM   173  N N   . TRP A 1 21  ? -40.164 -2.942  -32.110 1.00 12.88 ? 27  TRP B N   1 
ATOM   174  C CA  . TRP A 1 21  ? -40.453 -1.883  -31.111 1.00 13.91 ? 27  TRP B CA  1 
ATOM   175  C C   . TRP A 1 21  ? -39.204 -1.389  -30.412 1.00 14.40 ? 27  TRP B C   1 
ATOM   176  O O   . TRP A 1 21  ? -39.315 -0.455  -29.639 1.00 13.92 ? 27  TRP B O   1 
ATOM   177  C CB  . TRP A 1 21  ? -41.449 -2.373  -30.102 1.00 14.50 ? 27  TRP B CB  1 
ATOM   178  C CG  . TRP A 1 21  ? -42.829 -2.524  -30.655 1.00 15.79 ? 27  TRP B CG  1 
ATOM   179  C CD1 . TRP A 1 21  ? -43.203 -3.109  -31.834 1.00 17.55 ? 27  TRP B CD1 1 
ATOM   180  C CD2 . TRP A 1 21  ? -44.026 -2.023  -30.040 1.00 17.35 ? 27  TRP B CD2 1 
ATOM   181  N NE1 . TRP A 1 21  ? -44.574 -3.041  -31.970 1.00 21.78 ? 27  TRP B NE1 1 
ATOM   182  C CE2 . TRP A 1 21  ? -45.094 -2.388  -30.886 1.00 17.46 ? 27  TRP B CE2 1 
ATOM   183  C CE3 . TRP A 1 21  ? -44.287 -1.294  -28.886 1.00 18.04 ? 27  TRP B CE3 1 
ATOM   184  C CZ2 . TRP A 1 21  ? -46.423 -2.028  -30.585 1.00 21.51 ? 27  TRP B CZ2 1 
ATOM   185  C CZ3 . TRP A 1 21  ? -45.604 -0.955  -28.576 1.00 19.34 ? 27  TRP B CZ3 1 
ATOM   186  C CH2 . TRP A 1 21  ? -46.647 -1.390  -29.388 1.00 21.60 ? 27  TRP B CH2 1 
ATOM   187  N N   . LEU A 1 22  ? -38.031 -1.995  -30.678 1.00 13.34 ? 28  LEU B N   1 
ATOM   188  C CA  . LEU A 1 22  ? -36.815 -1.579  -29.949 1.00 13.15 ? 28  LEU B CA  1 
ATOM   189  C C   . LEU A 1 22  ? -36.175 -0.358  -30.611 1.00 13.19 ? 28  LEU B C   1 
ATOM   190  O O   . LEU A 1 22  ? -36.154 -0.223  -31.827 1.00 13.26 ? 28  LEU B O   1 
ATOM   191  C CB  . LEU A 1 22  ? -35.801 -2.733  -29.886 1.00 12.20 ? 28  LEU B CB  1 
ATOM   192  C CG  . LEU A 1 22  ? -36.276 -3.970  -29.147 1.00 13.50 ? 28  LEU B CG  1 
ATOM   193  C CD1 . LEU A 1 22  ? -35.206 -5.056  -29.109 1.00 13.68 ? 28  LEU B CD1 1 
ATOM   194  C CD2 . LEU A 1 22  ? -36.725 -3.649  -27.755 1.00 14.41 ? 28  LEU B CD2 1 
ATOM   195  N N   . ILE A 1 23  ? -35.565 0.436   -29.756 1.00 12.73 ? 29  ILE B N   1 
ATOM   196  C CA  . ILE A 1 23  ? -34.740 1.599   -30.160 1.00 13.50 ? 29  ILE B CA  1 
ATOM   197  C C   . ILE A 1 23  ? -33.315 1.324   -29.718 1.00 13.96 ? 29  ILE B C   1 
ATOM   198  O O   . ILE A 1 23  ? -33.046 1.282   -28.515 1.00 13.96 ? 29  ILE B O   1 
ATOM   199  C CB  . ILE A 1 23  ? -35.269 2.908   -29.568 1.00 14.15 ? 29  ILE B CB  1 
ATOM   200  C CG1 . ILE A 1 23  ? -36.731 3.184   -29.958 1.00 15.13 ? 29  ILE B CG1 1 
ATOM   201  C CG2 . ILE A 1 23  ? -34.374 4.071   -30.041 1.00 14.91 ? 29  ILE B CG2 1 
ATOM   202  C CD1 . ILE A 1 23  ? -37.382 4.275   -29.207 1.00 15.61 ? 29  ILE B CD1 1 
ATOM   203  N N   . ILE A 1 24  ? -32.452 1.171   -30.727 1.00 15.97 ? 30  ILE B N   1 
ATOM   204  C CA  . ILE A 1 24  ? -30.995 0.980   -30.539 1.00 16.86 ? 30  ILE B CA  1 
ATOM   205  C C   . ILE A 1 24  ? -30.323 2.326   -30.750 1.00 17.30 ? 30  ILE B C   1 
ATOM   206  O O   . ILE A 1 24  ? -30.578 2.987   -31.821 1.00 18.23 ? 30  ILE B O   1 
ATOM   207  C CB  . ILE A 1 24  ? -30.464 -0.099  -31.479 1.00 16.70 ? 30  ILE B CB  1 
ATOM   208  C CG1 . ILE A 1 24  ? -30.962 -1.470  -31.046 1.00 19.27 ? 30  ILE B CG1 1 
ATOM   209  C CG2 . ILE A 1 24  ? -28.943 -0.068  -31.504 1.00 17.25 ? 30  ILE B CG2 1 
ATOM   210  C CD1 . ILE A 1 24  ? -30.684 -2.506  -31.961 1.00 23.14 ? 30  ILE B CD1 1 
ATOM   211  N N   . SER A 1 25  ? -29.465 2.723   -29.833 1.00 16.28 ? 31  SER B N   1 
ATOM   212  C CA  . SER A 1 25  ? -28.786 4.028   -29.868 1.00 16.81 ? 31  SER B CA  1 
ATOM   213  C C   . SER A 1 25  ? -27.849 4.100   -31.083 1.00 16.53 ? 31  SER B C   1 
ATOM   214  O O   . SER A 1 25  ? -27.447 3.072   -31.668 1.00 16.58 ? 31  SER B O   1 
ATOM   215  C CB  . SER A 1 25  ? -28.057 4.262   -28.583 1.00 16.95 ? 31  SER B CB  1 
ATOM   216  O OG  . SER A 1 25  ? -27.072 3.247   -28.420 1.00 16.96 ? 31  SER B OG  1 
ATOM   217  N N   . LYS A 1 26  ? -27.511 5.334   -31.469 1.00 19.46 ? 32  LYS B N   1 
ATOM   218  C CA  . LYS A 1 26  ? -26.631 5.601   -32.635 1.00 20.02 ? 32  LYS B CA  1 
ATOM   219  C C   . LYS A 1 26  ? -25.316 4.817   -32.524 1.00 18.47 ? 32  LYS B C   1 
ATOM   220  O O   . LYS A 1 26  ? -24.863 4.293   -33.545 1.00 20.10 ? 32  LYS B O   1 
ATOM   221  C CB  . LYS A 1 26  ? -26.419 7.116   -32.704 1.00 24.99 ? 32  LYS B CB  1 
ATOM   222  C CG  . LYS A 1 26  ? -25.423 7.574   -33.746 1.00 29.67 ? 32  LYS B CG  1 
ATOM   223  C CD  . LYS A 1 26  ? -25.500 9.068   -33.908 1.00 30.13 ? 32  LYS B CD  1 
ATOM   224  C CE  . LYS A 1 26  ? -25.436 9.838   -32.609 1.00 34.03 ? 32  LYS B CE  1 
ATOM   225  N NZ  . LYS A 1 26  ? -25.382 11.291  -32.899 1.00 36.13 ? 32  LYS B NZ  1 
ATOM   226  N N   . ASP A 1 27  ? -24.749 4.747   -31.323 1.00 19.39 ? 33  ASP B N   1 
ATOM   227  C CA  . ASP A 1 27  ? -23.455 4.049   -31.066 1.00 18.75 ? 33  ASP B CA  1 
ATOM   228  C C   . ASP A 1 27  ? -23.650 2.529   -31.012 1.00 18.10 ? 33  ASP B C   1 
ATOM   229  O O   . ASP A 1 27  ? -22.627 1.793   -30.929 1.00 18.02 ? 33  ASP B O   1 
ATOM   230  C CB  . ASP A 1 27  ? -22.751 4.582   -29.823 1.00 18.73 ? 33  ASP B CB  1 
ATOM   231  C CG  . ASP A 1 27  ? -23.419 4.324   -28.503 1.00 19.84 ? 33  ASP B CG  1 
ATOM   232  O OD1 . ASP A 1 27  ? -24.485 3.655   -28.494 1.00 19.91 ? 33  ASP B OD1 1 
ATOM   233  O OD2 . ASP A 1 27  ? -22.853 4.766   -27.488 1.00 22.54 ? 33  ASP B OD2 1 
ATOM   234  N N   . ARG A 1 28  ? -24.887 2.048   -31.087 1.00 16.54 ? 34  ARG B N   1 
ATOM   235  C CA  . ARG A 1 28  ? -25.197 0.598   -31.092 1.00 16.25 ? 34  ARG B CA  1 
ATOM   236  C C   . ARG A 1 28  ? -24.758 -0.049  -29.764 1.00 13.53 ? 34  ARG B C   1 
ATOM   237  O O   . ARG A 1 28  ? -24.568 -1.274  -29.732 1.00 14.72 ? 34  ARG B O   1 
ATOM   238  C CB  . ARG A 1 28  ? -24.639 -0.099  -32.347 1.00 18.91 ? 34  ARG B CB  1 
ATOM   239  C CG  . ARG A 1 28  ? -25.210 0.478   -33.641 1.00 24.02 ? 34  ARG B CG  1 
ATOM   240  C CD  . ARG A 1 28  ? -24.810 -0.218  -34.917 1.00 33.73 ? 34  ARG B CD  1 
ATOM   241  N NE  . ARG A 1 28  ? -23.392 -0.512  -35.017 1.00 44.87 ? 34  ARG B NE  1 
ATOM   242  C CZ  . ARG A 1 28  ? -22.829 -1.734  -34.958 1.00 59.47 ? 34  ARG B CZ  1 
ATOM   243  N NH1 . ARG A 1 28  ? -23.552 -2.837  -34.771 1.00 55.38 ? 34  ARG B NH1 1 
ATOM   244  N NH2 . ARG A 1 28  ? -21.513 -1.842  -35.088 1.00 61.63 ? 34  ARG B NH2 1 
ATOM   245  N N   . ARG A 1 29  ? -24.724 0.720   -28.688 1.00 12.72 ? 35  ARG B N   1 
ATOM   246  C CA  . ARG A 1 29  ? -24.340 0.206   -27.359 1.00 14.77 ? 35  ARG B CA  1 
ATOM   247  C C   . ARG A 1 29  ? -25.509 0.171   -26.382 1.00 15.26 ? 35  ARG B C   1 
ATOM   248  O O   . ARG A 1 29  ? -25.317 -0.394  -25.283 1.00 15.72 ? 35  ARG B O   1 
ATOM   249  C CB  . ARG A 1 29  ? -23.164 0.993   -26.784 1.00 15.52 ? 35  ARG B CB  1 
ATOM   250  C CG  . ARG A 1 29  ? -21.930 0.857   -27.654 1.00 17.19 ? 35  ARG B CG  1 
ATOM   251  C CD  . ARG A 1 29  ? -21.082 -0.360  -27.383 1.00 18.83 ? 35  ARG B CD  1 
ATOM   252  N NE  . ARG A 1 29  ? -20.322 -0.157  -26.158 1.00 20.52 ? 35  ARG B NE  1 
ATOM   253  C CZ  . ARG A 1 29  ? -19.584 -1.100  -25.565 1.00 20.21 ? 35  ARG B CZ  1 
ATOM   254  N NH1 . ARG A 1 29  ? -19.479 -2.288  -26.115 1.00 21.37 ? 35  ARG B NH1 1 
ATOM   255  N NH2 . ARG A 1 29  ? -18.924 -0.802  -24.458 1.00 21.32 ? 35  ARG B NH2 1 
ATOM   256  N N   . GLN A 1 30  ? -26.670 0.742   -26.696 1.00 14.01 ? 36  GLN B N   1 
ATOM   257  C CA  . GLN A 1 30  ? -27.828 0.789   -25.770 1.00 14.07 ? 36  GLN B CA  1 
ATOM   258  C C   . GLN A 1 30  ? -29.078 0.367   -26.524 1.00 13.84 ? 36  GLN B C   1 
ATOM   259  O O   . GLN A 1 30  ? -29.199 0.601   -27.769 1.00 13.75 ? 36  GLN B O   1 
ATOM   260  C CB  . GLN A 1 30  ? -28.081 2.164   -25.161 1.00 16.50 ? 36  GLN B CB  1 
ATOM   261  C CG  . GLN A 1 30  ? -26.842 2.782   -24.561 1.00 18.71 ? 36  GLN B CG  1 
ATOM   262  C CD  . GLN A 1 30  ? -27.182 4.026   -23.782 1.00 22.41 ? 36  GLN B CD  1 
ATOM   263  O OE1 . GLN A 1 30  ? -28.326 4.282   -23.430 1.00 23.94 ? 36  GLN B OE1 1 
ATOM   264  N NE2 . GLN A 1 30  ? -26.164 4.820   -23.531 1.00 26.43 ? 36  GLN B NE2 1 
ATOM   265  N N   . VAL A 1 31  ? -30.008 -0.243  -25.811 1.00 12.19 ? 37  VAL B N   1 
ATOM   266  C CA  . VAL A 1 31  ? -31.298 -0.667  -26.400 1.00 13.18 ? 37  VAL B CA  1 
ATOM   267  C C   . VAL A 1 31  ? -32.400 -0.455  -25.369 1.00 12.93 ? 37  VAL B C   1 
ATOM   268  O O   . VAL A 1 31  ? -32.218 -0.788  -24.212 1.00 13.00 ? 37  VAL B O   1 
ATOM   269  C CB  . VAL A 1 31  ? -31.268 -2.074  -26.998 1.00 12.20 ? 37  VAL B CB  1 
ATOM   270  C CG1 . VAL A 1 31  ? -30.838 -3.145  -25.990 1.00 12.10 ? 37  VAL B CG1 1 
ATOM   271  C CG2 . VAL A 1 31  ? -32.624 -2.423  -27.625 1.00 13.01 ? 37  VAL B CG2 1 
ATOM   272  N N   . ARG A 1 32  ? -33.532 0.067   -25.802 1.00 13.77 ? 38  ARG B N   1 
ATOM   273  C CA  . ARG A 1 32  ? -34.713 0.194   -24.922 1.00 13.28 ? 38  ARG B CA  1 
ATOM   274  C C   . ARG A 1 32  ? -35.996 -0.072  -25.708 1.00 14.02 ? 38  ARG B C   1 
ATOM   275  O O   . ARG A 1 32  ? -36.014 -0.021  -26.961 1.00 13.08 ? 38  ARG B O   1 
ATOM   276  C CB  . ARG A 1 32  ? -34.792 1.570   -24.267 1.00 15.11 ? 38  ARG B CB  1 
ATOM   277  C CG  . ARG A 1 32  ? -35.058 2.681   -25.264 1.00 17.14 ? 38  ARG B CG  1 
ATOM   278  C CD  . ARG A 1 32  ? -34.867 4.044   -24.600 1.00 20.90 ? 38  ARG B CD  1 
ATOM   279  N NE  . ARG A 1 32  ? -35.069 5.128   -25.567 1.00 25.09 ? 38  ARG B NE  1 
ATOM   280  C CZ  . ARG A 1 32  ? -36.230 5.716   -25.782 1.00 24.22 ? 38  ARG B CZ  1 
ATOM   281  N NH1 . ARG A 1 32  ? -37.317 5.306   -25.169 1.00 24.95 ? 38  ARG B NH1 1 
ATOM   282  N NH2 . ARG A 1 32  ? -36.313 6.695   -26.674 1.00 27.02 ? 38  ARG B NH2 1 
ATOM   283  N N   A MET A 1 33  ? -37.058 -0.341  -24.956 0.32 13.52 ? 39  MET B N   1 
ATOM   284  N N   B MET A 1 33  ? -37.073 -0.360  -24.980 0.25 15.36 ? 39  MET B N   1 
ATOM   285  C CA  A MET A 1 33  ? -38.432 -0.524  -25.489 0.32 14.50 ? 39  MET B CA  1 
ATOM   286  C CA  B MET A 1 33  ? -38.420 -0.611  -25.563 0.25 17.30 ? 39  MET B CA  1 
ATOM   287  C C   A MET A 1 33  ? -38.967 0.832   -25.956 0.32 14.61 ? 39  MET B C   1 
ATOM   288  C C   B MET A 1 33  ? -39.059 0.733   -25.931 0.25 16.40 ? 39  MET B C   1 
ATOM   289  O O   A MET A 1 33  ? -38.940 1.804   -25.162 0.32 15.20 ? 39  MET B O   1 
ATOM   290  O O   B MET A 1 33  ? -39.225 1.576   -25.028 0.25 16.95 ? 39  MET B O   1 
ATOM   291  C CB  A MET A 1 33  ? -39.345 -1.078  -24.391 0.32 14.51 ? 39  MET B CB  1 
ATOM   292  C CB  B MET A 1 33  ? -39.316 -1.335  -24.554 0.25 19.91 ? 39  MET B CB  1 
ATOM   293  C CG  A MET A 1 33  ? -40.811 -1.138  -24.806 0.32 14.48 ? 39  MET B CG  1 
ATOM   294  C CG  B MET A 1 33  ? -40.668 -1.748  -25.123 0.25 22.19 ? 39  MET B CG  1 
ATOM   295  S SD  A MET A 1 33  ? -41.097 -2.321  -26.159 0.32 14.88 ? 39  MET B SD  1 
ATOM   296  S SD  B MET A 1 33  ? -40.671 -3.493  -25.567 0.25 28.22 ? 39  MET B SD  1 
ATOM   297  C CE  A MET A 1 33  ? -41.373 -3.818  -25.208 0.32 17.87 ? 39  MET B CE  1 
ATOM   298  C CE  B MET A 1 33  ? -41.942 -3.538  -26.823 0.25 26.38 ? 39  MET B CE  1 
ATOM   299  N N   . GLY A 1 34  ? -39.416 0.901   -27.206 1.00 15.31 ? 40  GLY B N   1 
ATOM   300  C CA  . GLY A 1 34  ? -40.086 2.111   -27.710 1.00 15.85 ? 40  GLY B CA  1 
ATOM   301  C C   . GLY A 1 34  ? -41.554 2.094   -27.367 1.00 17.27 ? 40  GLY B C   1 
ATOM   302  O O   . GLY A 1 34  ? -42.046 1.076   -26.896 1.00 16.94 ? 40  GLY B O   1 
ATOM   303  N N   . ASP A 1 35  ? -42.224 3.225   -27.643 1.00 19.46 ? 41  ASP B N   1 
ATOM   304  C CA  . ASP A 1 35  ? -43.660 3.429   -27.319 1.00 23.04 ? 41  ASP B CA  1 
ATOM   305  C C   . ASP A 1 35  ? -44.546 2.739   -28.356 1.00 21.43 ? 41  ASP B C   1 
ATOM   306  O O   . ASP A 1 35  ? -45.766 2.508   -28.061 1.00 23.92 ? 41  ASP B O   1 
ATOM   307  C CB  . ASP A 1 35  ? -44.018 4.924   -27.368 1.00 25.34 ? 41  ASP B CB  1 
ATOM   308  C CG  . ASP A 1 35  ? -43.295 5.757   -26.325 1.00 31.29 ? 41  ASP B CG  1 
ATOM   309  O OD1 . ASP A 1 35  ? -42.792 5.169   -25.361 1.00 35.16 ? 41  ASP B OD1 1 
ATOM   310  O OD2 . ASP A 1 35  ? -43.243 7.003   -26.501 1.00 38.07 ? 41  ASP B OD2 1 
ATOM   311  N N   . THR A 1 36  ? -43.990 2.414   -29.506 1.00 18.45 ? 42  THR B N   1 
ATOM   312  C CA  . THR A 1 36  ? -44.748 1.875   -30.665 1.00 16.75 ? 42  THR B CA  1 
ATOM   313  C C   . THR A 1 36  ? -43.796 1.097   -31.561 1.00 16.51 ? 42  THR B C   1 
ATOM   314  O O   . THR A 1 36  ? -42.528 1.115   -31.339 1.00 15.28 ? 42  THR B O   1 
ATOM   315  C CB  . THR A 1 36  ? -45.430 3.047   -31.405 1.00 17.99 ? 42  THR B CB  1 
ATOM   316  O OG1 . THR A 1 36  ? -46.331 2.551   -32.383 1.00 23.26 ? 42  THR B OG1 1 
ATOM   317  C CG2 . THR A 1 36  ? -44.420 3.889   -32.147 1.00 17.26 ? 42  THR B CG2 1 
ATOM   318  N N   . HIS A 1 37  ? -44.299 0.597   -32.679 1.00 17.75 ? 43  HIS B N   1 
ATOM   319  C CA  . HIS A 1 37  ? -43.473 0.107   -33.811 1.00 17.02 ? 43  HIS B CA  1 
ATOM   320  C C   . HIS A 1 37  ? -42.515 1.213   -34.227 1.00 18.90 ? 43  HIS B C   1 
ATOM   321  O O   . HIS A 1 37  ? -42.993 2.372   -34.447 1.00 19.18 ? 43  HIS B O   1 
ATOM   322  C CB  . HIS A 1 37  ? -44.421 -0.356  -34.923 1.00 16.17 ? 43  HIS B CB  1 
ATOM   323  C CG  . HIS A 1 37  ? -43.798 -1.008  -36.105 1.00 15.42 ? 43  HIS B CG  1 
ATOM   324  N ND1 . HIS A 1 37  ? -43.005 -0.341  -37.027 1.00 15.48 ? 43  HIS B ND1 1 
ATOM   325  C CD2 . HIS A 1 37  ? -43.931 -2.272  -36.538 1.00 16.24 ? 43  HIS B CD2 1 
ATOM   326  C CE1 . HIS A 1 37  ? -42.651 -1.206  -37.962 1.00 16.31 ? 43  HIS B CE1 1 
ATOM   327  N NE2 . HIS A 1 37  ? -43.234 -2.419  -37.683 1.00 15.59 ? 43  HIS B NE2 1 
ATOM   328  N N   . GLN A 1 38  ? -41.231 0.897   -34.430 1.00 16.61 ? 44  GLN B N   1 
ATOM   329  C CA  . GLN A 1 38  ? -40.198 1.911   -34.719 1.00 15.49 ? 44  GLN B CA  1 
ATOM   330  C C   . GLN A 1 38  ? -39.980 2.140   -36.226 1.00 17.49 ? 44  GLN B C   1 
ATOM   331  O O   . GLN A 1 38  ? -38.953 2.734   -36.641 1.00 17.51 ? 44  GLN B O   1 
ATOM   332  C CB  . GLN A 1 38  ? -38.925 1.535   -33.976 1.00 16.02 ? 44  GLN B CB  1 
ATOM   333  C CG  . GLN A 1 38  ? -39.058 1.666   -32.485 1.00 15.82 ? 44  GLN B CG  1 
ATOM   334  C CD  . GLN A 1 38  ? -39.556 3.018   -32.041 1.00 16.18 ? 44  GLN B CD  1 
ATOM   335  O OE1 . GLN A 1 38  ? -40.536 3.169   -31.289 1.00 18.40 ? 44  GLN B OE1 1 
ATOM   336  N NE2 . GLN A 1 38  ? -38.896 4.050   -32.544 1.00 14.64 ? 44  GLN B NE2 1 
ATOM   337  N N   . ASN A 1 39  ? -40.948 1.793   -37.056 1.00 16.77 ? 45  ASN B N   1 
ATOM   338  C CA  . ASN A 1 39  ? -41.009 2.313   -38.456 1.00 15.70 ? 45  ASN B CA  1 
ATOM   339  C C   . ASN A 1 39  ? -39.928 1.689   -39.332 1.00 17.99 ? 45  ASN B C   1 
ATOM   340  O O   . ASN A 1 39  ? -39.448 2.319   -40.302 1.00 19.33 ? 45  ASN B O   1 
ATOM   341  C CB  . ASN A 1 39  ? -41.083 3.854   -38.505 1.00 17.56 ? 45  ASN B CB  1 
ATOM   342  C CG  . ASN A 1 39  ? -41.674 4.349   -39.818 1.00 17.69 ? 45  ASN B CG  1 
ATOM   343  O OD1 . ASN A 1 39  ? -42.547 3.705   -40.404 1.00 16.14 ? 45  ASN B OD1 1 
ATOM   344  N ND2 . ASN A 1 39  ? -41.250 5.536   -40.274 1.00 17.37 ? 45  ASN B ND2 1 
ATOM   345  N N   . VAL A 1 40  ? -39.637 0.405   -39.088 1.00 18.58 ? 46  VAL B N   1 
ATOM   346  C CA  . VAL A 1 40  ? -38.651 -0.419  -39.837 1.00 18.53 ? 46  VAL B CA  1 
ATOM   347  C C   . VAL A 1 40  ? -39.418 -1.489  -40.636 1.00 16.33 ? 46  VAL B C   1 
ATOM   348  O O   . VAL A 1 40  ? -40.500 -1.912  -40.190 1.00 16.73 ? 46  VAL B O   1 
ATOM   349  C CB  . VAL A 1 40  ? -37.634 -1.033  -38.850 1.00 20.69 ? 46  VAL B CB  1 
ATOM   350  C CG1 . VAL A 1 40  ? -36.762 0.041   -38.210 1.00 23.82 ? 46  VAL B CG1 1 
ATOM   351  C CG2 . VAL A 1 40  ? -38.300 -1.862  -37.759 1.00 22.22 ? 46  VAL B CG2 1 
ATOM   352  N N   . SER A 1 41  ? -38.849 -1.987  -41.739 1.00 18.51 ? 47  SER B N   1 
ATOM   353  C CA  . SER A 1 41  ? -39.401 -3.143  -42.485 1.00 18.64 ? 47  SER B CA  1 
ATOM   354  C C   . SER A 1 41  ? -39.207 -4.437  -41.695 1.00 19.50 ? 47  SER B C   1 
ATOM   355  O O   . SER A 1 41  ? -38.288 -4.530  -40.861 1.00 18.31 ? 47  SER B O   1 
ATOM   356  C CB  . SER A 1 41  ? -38.779 -3.277  -43.857 1.00 22.58 ? 47  SER B CB  1 
ATOM   357  O OG  . SER A 1 41  ? -37.394 -3.547  -43.765 1.00 24.36 ? 47  SER B OG  1 
ATOM   358  N N   . ASP A 1 42  ? -40.092 -5.401  -41.899 1.00 17.42 ? 48  ASP B N   1 
ATOM   359  C CA  . ASP A 1 42  ? -39.955 -6.738  -41.286 1.00 16.38 ? 48  ASP B CA  1 
ATOM   360  C C   . ASP A 1 42  ? -38.902 -7.504  -42.063 1.00 18.46 ? 48  ASP B C   1 
ATOM   361  O O   . ASP A 1 42  ? -38.615 -7.201  -43.238 1.00 18.65 ? 48  ASP B O   1 
ATOM   362  C CB  . ASP A 1 42  ? -41.275 -7.513  -41.287 1.00 19.63 ? 48  ASP B CB  1 
ATOM   363  C CG  . ASP A 1 42  ? -41.386 -8.531  -40.147 1.00 23.86 ? 48  ASP B CG  1 
ATOM   364  O OD1 . ASP A 1 42  ? -40.437 -8.647  -39.334 1.00 18.72 ? 48  ASP B OD1 1 
ATOM   365  O OD2 . ASP A 1 42  ? -42.489 -9.113  -39.971 1.00 31.14 ? 48  ASP B OD2 1 
ATOM   366  N N   . ASN A 1 43  ? -38.312 -8.507  -41.413 1.00 15.88 ? 49  ASN B N   1 
ATOM   367  C CA  . ASN A 1 43  ? -37.331 -9.412  -42.048 1.00 18.02 ? 49  ASN B CA  1 
ATOM   368  C C   . ASN A 1 43  ? -37.289 -10.706 -41.229 1.00 18.33 ? 49  ASN B C   1 
ATOM   369  O O   . ASN A 1 43  ? -37.854 -10.749 -40.135 1.00 18.20 ? 49  ASN B O   1 
ATOM   370  C CB  . ASN A 1 43  ? -35.992 -8.723  -42.246 1.00 17.26 ? 49  ASN B CB  1 
ATOM   371  C CG  . ASN A 1 43  ? -35.260 -8.507  -40.930 1.00 18.36 ? 49  ASN B CG  1 
ATOM   372  O OD1 . ASN A 1 43  ? -35.069 -9.455  -40.173 1.00 20.22 ? 49  ASN B OD1 1 
ATOM   373  N ND2 . ASN A 1 43  ? -34.869 -7.308  -40.632 1.00 17.94 ? 49  ASN B ND2 1 
ATOM   374  N N   . LYS A 1 44  ? -36.720 -11.767 -41.792 1.00 19.68 ? 50  LYS B N   1 
ATOM   375  C CA  . LYS A 1 44  ? -36.741 -13.090 -41.140 1.00 21.20 ? 50  LYS B CA  1 
ATOM   376  C C   . LYS A 1 44  ? -35.823 -13.117 -39.908 1.00 18.12 ? 50  LYS B C   1 
ATOM   377  O O   . LYS A 1 44  ? -35.987 -14.078 -39.123 1.00 19.62 ? 50  LYS B O   1 
ATOM   378  C CB  . LYS A 1 44  ? -36.277 -14.148 -42.147 1.00 23.53 ? 50  LYS B CB  1 
ATOM   379  C CG  . LYS A 1 44  ? -34.854 -13.973 -42.641 1.00 28.10 ? 50  LYS B CG  1 
ATOM   380  C CD  . LYS A 1 44  ? -34.318 -15.233 -43.319 1.00 36.79 ? 50  LYS B CD  1 
ATOM   381  C CE  . LYS A 1 44  ? -32.855 -15.137 -43.681 1.00 41.59 ? 50  LYS B CE  1 
ATOM   382  N NZ  . LYS A 1 44  ? -32.553 -16.044 -44.814 1.00 45.08 ? 50  LYS B NZ  1 
ATOM   383  N N   . GLU A 1 45  ? -34.932 -12.143 -39.737 1.00 18.04 ? 51  GLU B N   1 
ATOM   384  C CA  . GLU A 1 45  ? -34.027 -12.112 -38.551 1.00 17.87 ? 51  GLU B CA  1 
ATOM   385  C C   . GLU A 1 45  ? -34.770 -11.593 -37.319 1.00 17.02 ? 51  GLU B C   1 
ATOM   386  O O   . GLU A 1 45  ? -34.319 -11.907 -36.178 1.00 16.53 ? 51  GLU B O   1 
ATOM   387  C CB  . GLU A 1 45  ? -32.799 -11.252 -38.812 1.00 20.25 ? 51  GLU B CB  1 
ATOM   388  C CG  . GLU A 1 45  ? -31.976 -11.674 -40.029 1.00 23.57 ? 51  GLU B CG  1 
ATOM   389  C CD  . GLU A 1 45  ? -30.743 -10.828 -40.255 1.00 32.01 ? 51  GLU B CD  1 
ATOM   390  O OE1 . GLU A 1 45  ? -30.539 -10.383 -41.406 1.00 46.15 ? 51  GLU B OE1 1 
ATOM   391  O OE2 . GLU A 1 45  ? -29.988 -10.599 -39.298 1.00 37.85 ? 51  GLU B OE2 1 
ATOM   392  N N   . ARG A 1 46  ? -35.764 -10.712 -37.449 1.00 15.45 ? 52  ARG B N   1 
ATOM   393  C CA  . ARG A 1 46  ? -36.302 -10.028 -36.252 1.00 14.60 ? 52  ARG B CA  1 
ATOM   394  C C   . ARG A 1 46  ? -37.013 -10.978 -35.298 1.00 14.52 ? 52  ARG B C   1 
ATOM   395  O O   . ARG A 1 46  ? -37.891 -11.783 -35.700 1.00 15.24 ? 52  ARG B O   1 
ATOM   396  C CB  . ARG A 1 46  ? -37.279 -8.916  -36.647 1.00 14.59 ? 52  ARG B CB  1 
ATOM   397  C CG  . ARG A 1 46  ? -36.698 -7.809  -37.492 1.00 15.93 ? 52  ARG B CG  1 
ATOM   398  C CD  . ARG A 1 46  ? -37.614 -6.575  -37.447 1.00 14.63 ? 52  ARG B CD  1 
ATOM   399  N NE  . ARG A 1 46  ? -37.102 -5.585  -38.355 1.00 16.19 ? 52  ARG B NE  1 
ATOM   400  C CZ  . ARG A 1 46  ? -36.010 -4.861  -38.138 1.00 16.57 ? 52  ARG B CZ  1 
ATOM   401  N NH1 . ARG A 1 46  ? -35.391 -4.877  -36.964 1.00 15.97 ? 52  ARG B NH1 1 
ATOM   402  N NH2 . ARG A 1 46  ? -35.533 -4.068  -39.086 1.00 19.81 ? 52  ARG B NH2 1 
ATOM   403  N N   . PHE A 1 47  ? -36.731 -10.852 -33.997 1.00 13.01 ? 53  PHE B N   1 
ATOM   404  C CA  . PHE A 1 47  ? -37.537 -11.549 -32.974 1.00 13.49 ? 53  PHE B CA  1 
ATOM   405  C C   . PHE A 1 47  ? -38.957 -10.970 -32.957 1.00 15.46 ? 53  PHE B C   1 
ATOM   406  O O   . PHE A 1 47  ? -39.103 -9.766  -32.711 1.00 16.39 ? 53  PHE B O   1 
ATOM   407  C CB  . PHE A 1 47  ? -36.869 -11.450 -31.617 1.00 13.57 ? 53  PHE B CB  1 
ATOM   408  C CG  . PHE A 1 47  ? -35.647 -12.317 -31.504 1.00 13.14 ? 53  PHE B CG  1 
ATOM   409  C CD1 . PHE A 1 47  ? -35.761 -13.659 -31.198 1.00 13.80 ? 53  PHE B CD1 1 
ATOM   410  C CD2 . PHE A 1 47  ? -34.387 -11.755 -31.601 1.00 13.85 ? 53  PHE B CD2 1 
ATOM   411  C CE1 . PHE A 1 47  ? -34.628 -14.459 -31.064 1.00 13.44 ? 53  PHE B CE1 1 
ATOM   412  C CE2 . PHE A 1 47  ? -33.260 -12.563 -31.462 1.00 13.82 ? 53  PHE B CE2 1 
ATOM   413  C CZ  . PHE A 1 47  ? -33.390 -13.898 -31.203 1.00 12.43 ? 53  PHE B CZ  1 
ATOM   414  N N   . SER A 1 48  ? -39.985 -11.779 -33.201 1.00 16.24 ? 54  SER B N   1 
ATOM   415  C CA  . SER A 1 48  ? -41.357 -11.229 -33.383 1.00 17.44 ? 54  SER B CA  1 
ATOM   416  C C   . SER A 1 48  ? -42.103 -11.104 -32.071 1.00 16.15 ? 54  SER B C   1 
ATOM   417  O O   . SER A 1 48  ? -42.870 -10.119 -31.910 1.00 18.42 ? 54  SER B O   1 
ATOM   418  C CB  . SER A 1 48  ? -42.150 -12.068 -34.363 1.00 17.02 ? 54  SER B CB  1 
ATOM   419  O OG  . SER A 1 48  ? -42.218 -13.413 -33.941 1.00 18.13 ? 54  SER B OG  1 
ATOM   420  N N   . ASN A 1 49  ? -41.965 -12.047 -31.162 1.00 15.02 ? 55  ASN B N   1 
ATOM   421  C CA  . ASN A 1 49  ? -42.876 -12.177 -29.999 1.00 17.33 ? 55  ASN B CA  1 
ATOM   422  C C   . ASN A 1 49  ? -42.342 -11.481 -28.755 1.00 17.05 ? 55  ASN B C   1 
ATOM   423  O O   . ASN A 1 49  ? -43.115 -11.308 -27.774 1.00 18.56 ? 55  ASN B O   1 
ATOM   424  C CB  . ASN A 1 49  ? -43.219 -13.626 -29.690 1.00 17.71 ? 55  ASN B CB  1 
ATOM   425  C CG  . ASN A 1 49  ? -44.155 -14.252 -30.708 1.00 19.64 ? 55  ASN B CG  1 
ATOM   426  O OD1 . ASN A 1 49  ? -43.956 -14.122 -31.910 1.00 20.93 ? 55  ASN B OD1 1 
ATOM   427  N ND2 . ASN A 1 49  ? -45.099 -15.031 -30.194 1.00 23.20 ? 55  ASN B ND2 1 
ATOM   428  N N   . TYR A 1 50  ? -41.044 -11.149 -28.732 1.00 14.91 ? 56  TYR B N   1 
ATOM   429  C CA  . TYR A 1 50  ? -40.426 -10.685 -27.480 1.00 13.65 ? 56  TYR B CA  1 
ATOM   430  C C   . TYR A 1 50  ? -39.482 -9.543  -27.800 1.00 12.73 ? 56  TYR B C   1 
ATOM   431  O O   . TYR A 1 50  ? -38.957 -9.484  -28.920 1.00 14.25 ? 56  TYR B O   1 
ATOM   432  C CB  . TYR A 1 50  ? -39.630 -11.814 -26.822 1.00 13.73 ? 56  TYR B CB  1 
ATOM   433  C CG  . TYR A 1 50  ? -40.344 -13.136 -26.717 1.00 14.77 ? 56  TYR B CG  1 
ATOM   434  C CD1 . TYR A 1 50  ? -41.301 -13.338 -25.744 1.00 16.65 ? 56  TYR B CD1 1 
ATOM   435  C CD2 . TYR A 1 50  ? -40.041 -14.197 -27.560 1.00 15.78 ? 56  TYR B CD2 1 
ATOM   436  C CE1 . TYR A 1 50  ? -41.988 -14.546 -25.637 1.00 19.32 ? 56  TYR B CE1 1 
ATOM   437  C CE2 . TYR A 1 50  ? -40.739 -15.393 -27.493 1.00 17.47 ? 56  TYR B CE2 1 
ATOM   438  C CZ  . TYR A 1 50  ? -41.694 -15.578 -26.508 1.00 17.50 ? 56  TYR B CZ  1 
ATOM   439  O OH  . TYR A 1 50  ? -42.348 -16.793 -26.433 1.00 18.89 ? 56  TYR B OH  1 
ATOM   440  N N   . PRO A 1 51  ? -39.170 -8.681  -26.821 1.00 12.82 ? 57  PRO B N   1 
ATOM   441  C CA  . PRO A 1 51  ? -38.313 -7.511  -27.074 1.00 13.06 ? 57  PRO B CA  1 
ATOM   442  C C   . PRO A 1 51  ? -36.807 -7.832  -27.042 1.00 12.56 ? 57  PRO B C   1 
ATOM   443  O O   . PRO A 1 51  ? -36.043 -7.301  -26.241 1.00 12.69 ? 57  PRO B O   1 
ATOM   444  C CB  . PRO A 1 51  ? -38.697 -6.519  -25.937 1.00 15.46 ? 57  PRO B CB  1 
ATOM   445  C CG  . PRO A 1 51  ? -39.805 -7.194  -25.141 1.00 15.47 ? 57  PRO B CG  1 
ATOM   446  C CD  . PRO A 1 51  ? -39.768 -8.647  -25.496 1.00 13.94 ? 57  PRO B CD  1 
ATOM   447  N N   . MET A 1 52  ? -36.413 -8.723  -27.967 1.00 12.81 ? 58  MET B N   1 
ATOM   448  C CA  . MET A 1 52  ? -35.050 -9.304  -28.039 1.00 12.06 ? 58  MET B CA  1 
ATOM   449  C C   . MET A 1 52  ? -34.248 -8.735  -29.206 1.00 11.45 ? 58  MET B C   1 
ATOM   450  O O   . MET A 1 52  ? -34.797 -8.232  -30.237 1.00 11.95 ? 58  MET B O   1 
ATOM   451  C CB  . MET A 1 52  ? -35.139 -10.822 -28.204 1.00 12.05 ? 58  MET B CB  1 
ATOM   452  C CG  . MET A 1 52  ? -35.732 -11.491 -27.020 1.00 11.98 ? 58  MET B CG  1 
ATOM   453  S SD  . MET A 1 52  ? -36.230 -13.198 -27.430 1.00 13.30 ? 58  MET B SD  1 
ATOM   454  C CE  . MET A 1 52  ? -36.811 -13.798 -25.857 1.00 13.38 ? 58  MET B CE  1 
ATOM   455  N N   . VAL A 1 53  ? -32.926 -8.736  -29.050 1.00 11.04 ? 59  VAL B N   1 
ATOM   456  C CA  . VAL A 1 53  ? -31.961 -8.293  -30.100 1.00 11.52 ? 59  VAL B CA  1 
ATOM   457  C C   . VAL A 1 53  ? -30.662 -9.076  -29.880 1.00 12.22 ? 59  VAL B C   1 
ATOM   458  O O   . VAL A 1 53  ? -30.374 -9.471  -28.714 1.00 11.72 ? 59  VAL B O   1 
ATOM   459  C CB  . VAL A 1 53  ? -31.780 -6.755  -30.071 1.00 11.91 ? 59  VAL B CB  1 
ATOM   460  C CG1 . VAL A 1 53  ? -31.216 -6.279  -28.735 1.00 12.65 ? 59  VAL B CG1 1 
ATOM   461  C CG2 . VAL A 1 53  ? -30.901 -6.246  -31.213 1.00 12.38 ? 59  VAL B CG2 1 
ATOM   462  N N   . LEU A 1 54  ? -29.887 -9.273  -30.935 1.00 12.44 ? 60  LEU B N   1 
ATOM   463  C CA  . LEU A 1 54  ? -28.565 -9.940  -30.891 1.00 11.65 ? 60  LEU B CA  1 
ATOM   464  C C   . LEU A 1 54  ? -27.443 -8.922  -31.028 1.00 12.16 ? 60  LEU B C   1 
ATOM   465  O O   . LEU A 1 54  ? -27.587 -7.860  -31.728 1.00 13.08 ? 60  LEU B O   1 
ATOM   466  C CB  . LEU A 1 54  ? -28.407 -11.002 -31.979 1.00 12.05 ? 60  LEU B CB  1 
ATOM   467  C CG  . LEU A 1 54  ? -29.490 -12.059 -32.013 1.00 12.29 ? 60  LEU B CG  1 
ATOM   468  C CD1 . LEU A 1 54  ? -29.146 -13.158 -33.006 1.00 13.41 ? 60  LEU B CD1 1 
ATOM   469  C CD2 . LEU A 1 54  ? -29.714 -12.678 -30.620 1.00 13.13 ? 60  LEU B CD2 1 
ATOM   470  N N   . GLY A 1 55  ? -26.291 -9.217  -30.438 1.00 11.82 ? 61  GLY B N   1 
ATOM   471  C CA  . GLY A 1 55  ? -25.032 -8.535  -30.804 1.00 12.36 ? 61  GLY B CA  1 
ATOM   472  C C   . GLY A 1 55  ? -24.636 -8.863  -32.239 1.00 13.00 ? 61  GLY B C   1 
ATOM   473  O O   . GLY A 1 55  ? -24.977 -9.949  -32.731 1.00 13.70 ? 61  GLY B O   1 
ATOM   474  N N   . ALA A 1 56  ? -23.868 -7.981  -32.859 1.00 14.15 ? 62  ALA B N   1 
ATOM   475  C CA  . ALA A 1 56  ? -23.380 -8.182  -34.237 1.00 15.73 ? 62  ALA B CA  1 
ATOM   476  C C   . ALA A 1 56  ? -22.279 -9.237  -34.269 1.00 15.86 ? 62  ALA B C   1 
ATOM   477  O O   . ALA A 1 56  ? -22.161 -9.958  -35.269 1.00 19.66 ? 62  ALA B O   1 
ATOM   478  C CB  . ALA A 1 56  ? -22.875 -6.879  -34.750 1.00 16.79 ? 62  ALA B CB  1 
ATOM   479  N N   . GLN A 1 57  ? -21.501 -9.322  -33.201 1.00 15.03 ? 63  GLN B N   1 
ATOM   480  C CA  . GLN A 1 57  ? -20.306 -10.211 -33.180 1.00 15.71 ? 63  GLN B CA  1 
ATOM   481  C C   . GLN A 1 57  ? -20.731 -11.686 -33.172 1.00 17.50 ? 63  GLN B C   1 
ATOM   482  O O   . GLN A 1 57  ? -21.737 -12.065 -32.525 1.00 16.63 ? 63  GLN B O   1 
ATOM   483  C CB  . GLN A 1 57  ? -19.447 -9.891  -31.957 1.00 17.51 ? 63  GLN B CB  1 
ATOM   484  C CG  . GLN A 1 57  ? -18.748 -8.543  -32.019 1.00 19.33 ? 63  GLN B CG  1 
ATOM   485  C CD  . GLN A 1 57  ? -19.720 -7.370  -31.940 1.00 18.44 ? 63  GLN B CD  1 
ATOM   486  O OE1 . GLN A 1 57  ? -20.677 -7.387  -31.158 1.00 17.58 ? 63  GLN B OE1 1 
ATOM   487  N NE2 . GLN A 1 57  ? -19.440 -6.306  -32.659 1.00 21.46 ? 63  GLN B NE2 1 
ATOM   488  N N   . ARG A 1 58  ? -20.015 -12.546 -33.905 1.00 16.83 ? 64  ARG B N   1 
ATOM   489  C CA  . ARG A 1 58  ? -20.151 -14.007 -33.877 1.00 17.75 ? 64  ARG B CA  1 
ATOM   490  C C   . ARG A 1 58  ? -18.887 -14.621 -33.282 1.00 15.77 ? 64  ARG B C   1 
ATOM   491  O O   . ARG A 1 58  ? -17.771 -14.191 -33.648 1.00 17.70 ? 64  ARG B O   1 
ATOM   492  C CB  . ARG A 1 58  ? -20.274 -14.574 -35.301 1.00 20.87 ? 64  ARG B CB  1 
ATOM   493  C CG  . ARG A 1 58  ? -21.646 -14.481 -35.965 1.00 29.64 ? 64  ARG B CG  1 
ATOM   494  C CD  . ARG A 1 58  ? -22.279 -13.121 -35.775 1.00 28.97 ? 64  ARG B CD  1 
ATOM   495  N NE  . ARG A 1 58  ? -23.110 -12.431 -36.760 1.00 35.73 ? 64  ARG B NE  1 
ATOM   496  C CZ  . ARG A 1 58  ? -23.767 -12.955 -37.787 1.00 33.67 ? 64  ARG B CZ  1 
ATOM   497  N NH1 . ARG A 1 58  ? -24.480 -12.153 -38.560 1.00 39.17 ? 64  ARG B NH1 1 
ATOM   498  N NH2 . ARG A 1 58  ? -23.719 -14.244 -38.052 1.00 36.49 ? 64  ARG B NH2 1 
ATOM   499  N N   . PHE A 1 59  ? -19.017 -15.559 -32.368 1.00 15.34 ? 65  PHE B N   1 
ATOM   500  C CA  . PHE A 1 59  ? -17.850 -16.199 -31.710 1.00 15.35 ? 65  PHE B CA  1 
ATOM   501  C C   . PHE A 1 59  ? -17.895 -17.690 -31.987 1.00 14.06 ? 65  PHE B C   1 
ATOM   502  O O   . PHE A 1 59  ? -18.920 -18.334 -31.733 1.00 13.23 ? 65  PHE B O   1 
ATOM   503  C CB  . PHE A 1 59  ? -17.904 -15.920 -30.194 1.00 17.54 ? 65  PHE B CB  1 
ATOM   504  C CG  . PHE A 1 59  ? -17.909 -14.447 -29.861 1.00 19.02 ? 65  PHE B CG  1 
ATOM   505  C CD1 . PHE A 1 59  ? -16.905 -13.624 -30.350 1.00 21.28 ? 65  PHE B CD1 1 
ATOM   506  C CD2 . PHE A 1 59  ? -18.875 -13.890 -29.057 1.00 25.30 ? 65  PHE B CD2 1 
ATOM   507  C CE1 . PHE A 1 59  ? -16.873 -12.264 -30.066 1.00 24.58 ? 65  PHE B CE1 1 
ATOM   508  C CE2 . PHE A 1 59  ? -18.821 -12.532 -28.754 1.00 20.45 ? 65  PHE B CE2 1 
ATOM   509  C CZ  . PHE A 1 59  ? -17.856 -11.730 -29.291 1.00 22.18 ? 65  PHE B CZ  1 
ATOM   510  N N   A SER A 1 60  ? -16.794 -18.272 -32.479 0.25 14.50 ? 66  SER B N   1 
ATOM   511  N N   B SER A 1 60  ? -16.790 -18.254 -32.498 0.25 15.00 ? 66  SER B N   1 
ATOM   512  C CA  A SER A 1 60  ? -16.705 -19.729 -32.754 0.25 14.56 ? 66  SER B CA  1 
ATOM   513  C CA  B SER A 1 60  ? -16.645 -19.701 -32.804 0.25 15.44 ? 66  SER B CA  1 
ATOM   514  C C   A SER A 1 60  ? -15.479 -20.351 -32.063 0.25 14.36 ? 66  SER B C   1 
ATOM   515  C C   B SER A 1 60  ? -15.382 -20.275 -32.158 0.25 15.38 ? 66  SER B C   1 
ATOM   516  O O   A SER A 1 60  ? -15.310 -21.592 -32.149 0.25 14.92 ? 66  SER B O   1 
ATOM   517  O O   B SER A 1 60  ? -14.970 -21.386 -32.546 0.25 15.73 ? 66  SER B O   1 
ATOM   518  C CB  A SER A 1 60  ? -16.750 -19.976 -34.252 0.25 14.76 ? 66  SER B CB  1 
ATOM   519  C CB  B SER A 1 60  ? -16.598 -19.915 -34.288 0.25 15.61 ? 66  SER B CB  1 
ATOM   520  O OG  A SER A 1 60  ? -18.083 -19.775 -34.750 0.25 14.75 ? 66  SER B OG  1 
ATOM   521  O OG  B SER A 1 60  ? -15.542 -19.167 -34.841 0.25 16.64 ? 66  SER B OG  1 
ATOM   522  N N   A SER A 1 61  ? -14.692 -19.538 -31.348 0.25 14.38 ? 67  SER B N   1 
ATOM   523  N N   B SER A 1 61  ? -14.762 -19.536 -31.241 0.25 15.80 ? 67  SER B N   1 
ATOM   524  C CA  A SER A 1 61  ? -13.490 -19.976 -30.598 0.25 15.45 ? 67  SER B CA  1 
ATOM   525  C CA  B SER A 1 61  ? -13.483 -19.935 -30.617 0.25 17.11 ? 67  SER B CA  1 
ATOM   526  C C   A SER A 1 61  ? -13.161 -18.966 -29.498 0.25 15.70 ? 67  SER B C   1 
ATOM   527  C C   B SER A 1 61  ? -13.081 -18.916 -29.555 0.25 16.59 ? 67  SER B C   1 
ATOM   528  O O   A SER A 1 61  ? -13.743 -17.868 -29.508 0.25 16.34 ? 67  SER B O   1 
ATOM   529  O O   B SER A 1 61  ? -13.505 -17.744 -29.678 0.25 16.59 ? 67  SER B O   1 
ATOM   530  C CB  A SER A 1 61  ? -12.317 -20.144 -31.546 0.25 15.91 ? 67  SER B CB  1 
ATOM   531  C CB  B SER A 1 61  ? -12.424 -20.057 -31.687 0.25 18.33 ? 67  SER B CB  1 
ATOM   532  O OG  A SER A 1 61  ? -11.808 -18.880 -31.934 0.25 16.12 ? 67  SER B OG  1 
ATOM   533  O OG  B SER A 1 61  ? -11.214 -20.525 -31.128 0.25 20.98 ? 67  SER B OG  1 
ATOM   534  N N   . GLY A 1 62  ? -12.252 -19.334 -28.595 1.00 16.68 ? 68  GLY B N   1 
ATOM   535  C CA  . GLY A 1 62  ? -11.633 -18.371 -27.681 1.00 17.56 ? 68  GLY B CA  1 
ATOM   536  C C   . GLY A 1 62  ? -12.462 -18.061 -26.453 1.00 15.25 ? 68  GLY B C   1 
ATOM   537  O O   . GLY A 1 62  ? -13.463 -18.756 -26.171 1.00 15.88 ? 68  GLY B O   1 
ATOM   538  N N   . LYS A 1 63  ? -11.943 -17.089 -25.737 1.00 15.60 ? 69  LYS B N   1 
ATOM   539  C CA  . LYS A 1 63  ? -12.506 -16.594 -24.478 1.00 15.27 ? 69  LYS B CA  1 
ATOM   540  C C   . LYS A 1 63  ? -12.955 -15.159 -24.736 1.00 15.00 ? 69  LYS B C   1 
ATOM   541  O O   . LYS A 1 63  ? -12.169 -14.356 -25.246 1.00 16.94 ? 69  LYS B O   1 
ATOM   542  C CB  . LYS A 1 63  ? -11.471 -16.729 -23.372 1.00 16.75 ? 69  LYS B CB  1 
ATOM   543  C CG  . LYS A 1 63  ? -11.104 -18.165 -22.991 1.00 17.88 ? 69  LYS B CG  1 
ATOM   544  C CD  . LYS A 1 63  ? -9.961  -18.252 -21.958 1.00 19.68 ? 69  LYS B CD  1 
ATOM   545  C CE  . LYS A 1 63  ? -9.596  -19.661 -21.545 1.00 23.47 ? 69  LYS B CE  1 
ATOM   546  N NZ  . LYS A 1 63  ? -8.516  -19.629 -20.533 1.00 27.53 ? 69  LYS B NZ  1 
ATOM   547  N N   . MET A 1 64  ? -14.150 -14.824 -24.278 1.00 14.09 ? 70  MET B N   1 
ATOM   548  C CA  . MET A 1 64  ? -14.785 -13.502 -24.483 1.00 13.68 ? 70  MET B CA  1 
ATOM   549  C C   . MET A 1 64  ? -15.441 -13.043 -23.190 1.00 13.28 ? 70  MET B C   1 
ATOM   550  O O   . MET A 1 64  ? -16.024 -13.868 -22.476 1.00 14.36 ? 70  MET B O   1 
ATOM   551  C CB  . MET A 1 64  ? -15.891 -13.604 -25.524 1.00 13.88 ? 70  MET B CB  1 
ATOM   552  C CG  . MET A 1 64  ? -15.433 -13.788 -26.952 1.00 14.88 ? 70  MET B CG  1 
ATOM   553  S SD  . MET A 1 64  ? -14.717 -15.355 -27.493 1.00 17.62 ? 70  MET B SD  1 
ATOM   554  C CE  . MET A 1 64  ? -15.951 -16.541 -27.020 1.00 15.62 ? 70  MET B CE  1 
ATOM   555  N N   . TYR A 1 65  ? -15.426 -11.756 -22.932 1.00 13.80 ? 71  TYR B N   1 
ATOM   556  C CA  . TYR A 1 65  ? -16.024 -11.179 -21.708 1.00 14.17 ? 71  TYR B CA  1 
ATOM   557  C C   . TYR A 1 65  ? -16.655 -9.855  -22.095 1.00 14.64 ? 71  TYR B C   1 
ATOM   558  O O   . TYR A 1 65  ? -15.999 -9.061  -22.846 1.00 15.54 ? 71  TYR B O   1 
ATOM   559  C CB  . TYR A 1 65  ? -14.966 -10.989 -20.618 1.00 15.09 ? 71  TYR B CB  1 
ATOM   560  C CG  . TYR A 1 65  ? -15.489 -10.400 -19.337 1.00 14.52 ? 71  TYR B CG  1 
ATOM   561  C CD1 . TYR A 1 65  ? -16.224 -11.166 -18.440 1.00 15.10 ? 71  TYR B CD1 1 
ATOM   562  C CD2 . TYR A 1 65  ? -15.316 -9.051  -19.070 1.00 15.75 ? 71  TYR B CD2 1 
ATOM   563  C CE1 . TYR A 1 65  ? -16.756 -10.603 -17.281 1.00 16.02 ? 71  TYR B CE1 1 
ATOM   564  C CE2 . TYR A 1 65  ? -15.833 -8.482  -17.918 1.00 14.86 ? 71  TYR B CE2 1 
ATOM   565  C CZ  . TYR A 1 65  ? -16.546 -9.252  -17.034 1.00 14.65 ? 71  TYR B CZ  1 
ATOM   566  O OH  . TYR A 1 65  ? -17.006 -8.618  -15.910 1.00 16.62 ? 71  TYR B OH  1 
ATOM   567  N N   . TRP A 1 66  ? -17.839 -9.583  -21.586 1.00 12.95 ? 72  TRP B N   1 
ATOM   568  C CA  . TRP A 1 66  ? -18.444 -8.235  -21.701 1.00 12.81 ? 72  TRP B CA  1 
ATOM   569  C C   . TRP A 1 66  ? -19.353 -7.953  -20.500 1.00 12.87 ? 72  TRP B C   1 
ATOM   570  O O   . TRP A 1 66  ? -19.666 -8.884  -19.721 1.00 13.82 ? 72  TRP B O   1 
ATOM   571  C CB  . TRP A 1 66  ? -19.179 -8.038  -23.046 1.00 12.22 ? 72  TRP B CB  1 
ATOM   572  C CG  . TRP A 1 66  ? -20.349 -8.930  -23.302 1.00 12.33 ? 72  TRP B CG  1 
ATOM   573  C CD1 . TRP A 1 66  ? -21.675 -8.645  -23.085 1.00 12.60 ? 72  TRP B CD1 1 
ATOM   574  C CD2 . TRP A 1 66  ? -20.328 -10.249 -23.864 1.00 13.02 ? 72  TRP B CD2 1 
ATOM   575  N NE1 . TRP A 1 66  ? -22.466 -9.683  -23.500 1.00 12.77 ? 72  TRP B NE1 1 
ATOM   576  C CE2 . TRP A 1 66  ? -21.662 -10.708 -23.933 1.00 13.91 ? 72  TRP B CE2 1 
ATOM   577  C CE3 . TRP A 1 66  ? -19.312 -11.115 -24.276 1.00 15.78 ? 72  TRP B CE3 1 
ATOM   578  C CZ2 . TRP A 1 66  ? -22.005 -11.934 -24.466 1.00 15.43 ? 72  TRP B CZ2 1 
ATOM   579  C CZ3 . TRP A 1 66  ? -19.645 -12.350 -24.758 1.00 18.10 ? 72  TRP B CZ3 1 
ATOM   580  C CH2 . TRP A 1 66  ? -20.972 -12.768 -24.842 1.00 15.53 ? 72  TRP B CH2 1 
ATOM   581  N N   . GLU A 1 67  ? -19.772 -6.693  -20.340 1.00 13.35 ? 73  GLU B N   1 
ATOM   582  C CA  . GLU A 1 67  ? -20.590 -6.254  -19.178 1.00 13.00 ? 73  GLU B CA  1 
ATOM   583  C C   . GLU A 1 67  ? -21.797 -5.483  -19.659 1.00 13.18 ? 73  GLU B C   1 
ATOM   584  O O   . GLU A 1 67  ? -21.703 -4.812  -20.684 1.00 13.69 ? 73  GLU B O   1 
ATOM   585  C CB  . GLU A 1 67  ? -19.766 -5.396  -18.216 1.00 14.65 ? 73  GLU B CB  1 
ATOM   586  C CG  . GLU A 1 67  ? -18.689 -6.230  -17.537 1.00 16.91 ? 73  GLU B CG  1 
ATOM   587  C CD  . GLU A 1 67  ? -17.806 -5.470  -16.556 1.00 21.18 ? 73  GLU B CD  1 
ATOM   588  O OE1 . GLU A 1 67  ? -17.960 -4.205  -16.511 1.00 24.92 ? 73  GLU B OE1 1 
ATOM   589  O OE2 . GLU A 1 67  ? -17.007 -6.141  -15.780 1.00 19.68 ? 73  GLU B OE2 1 
ATOM   590  N N   . VAL A 1 68  ? -22.915 -5.709  -18.980 1.00 13.08 ? 74  VAL B N   1 
ATOM   591  C CA  . VAL A 1 68  ? -24.193 -5.054  -19.332 1.00 12.70 ? 74  VAL B CA  1 
ATOM   592  C C   . VAL A 1 68  ? -24.759 -4.359  -18.096 1.00 12.50 ? 74  VAL B C   1 
ATOM   593  O O   . VAL A 1 68  ? -24.860 -4.985  -17.030 1.00 13.73 ? 74  VAL B O   1 
ATOM   594  C CB  . VAL A 1 68  ? -25.224 -6.054  -19.888 1.00 12.34 ? 74  VAL B CB  1 
ATOM   595  C CG1 . VAL A 1 68  ? -26.467 -5.327  -20.364 1.00 13.96 ? 74  VAL B CG1 1 
ATOM   596  C CG2 . VAL A 1 68  ? -24.598 -6.946  -20.947 1.00 13.17 ? 74  VAL B CG2 1 
ATOM   597  N N   . ASP A 1 69  ? -25.223 -3.125  -18.280 1.00 12.64 ? 75  ASP B N   1 
ATOM   598  C CA  . ASP A 1 69  ? -25.864 -2.311  -17.212 1.00 14.64 ? 75  ASP B CA  1 
ATOM   599  C C   . ASP A 1 69  ? -27.347 -2.615  -17.245 1.00 12.55 ? 75  ASP B C   1 
ATOM   600  O O   . ASP A 1 69  ? -27.979 -2.513  -18.369 1.00 13.06 ? 75  ASP B O   1 
ATOM   601  C CB  . ASP A 1 69  ? -25.600 -0.808  -17.376 1.00 16.09 ? 75  ASP B CB  1 
ATOM   602  C CG  . ASP A 1 69  ? -25.981 0.008   -16.137 1.00 19.03 ? 75  ASP B CG  1 
ATOM   603  O OD1 . ASP A 1 69  ? -27.122 -0.017  -15.770 1.00 18.35 ? 75  ASP B OD1 1 
ATOM   604  O OD2 . ASP A 1 69  ? -25.061 0.517   -15.454 1.00 24.48 ? 75  ASP B OD2 1 
ATOM   605  N N   . VAL A 1 70  ? -27.931 -2.989  -16.109 1.00 13.40 ? 76  VAL B N   1 
ATOM   606  C CA  . VAL A 1 70  ? -29.365 -3.349  -15.943 1.00 13.65 ? 76  VAL B CA  1 
ATOM   607  C C   . VAL A 1 70  ? -30.044 -2.426  -14.907 1.00 14.32 ? 76  VAL B C   1 
ATOM   608  O O   . VAL A 1 70  ? -31.141 -2.778  -14.417 1.00 14.28 ? 76  VAL B O   1 
ATOM   609  C CB  . VAL A 1 70  ? -29.530 -4.854  -15.597 1.00 13.80 ? 76  VAL B CB  1 
ATOM   610  C CG1 . VAL A 1 70  ? -28.964 -5.769  -16.703 1.00 13.46 ? 76  VAL B CG1 1 
ATOM   611  C CG2 . VAL A 1 70  ? -28.920 -5.242  -14.257 1.00 14.47 ? 76  VAL B CG2 1 
ATOM   612  N N   . THR A 1 71  ? -29.410 -1.309  -14.564 1.00 15.03 ? 77  THR B N   1 
ATOM   613  C CA  . THR A 1 71  ? -29.886 -0.394  -13.494 1.00 16.30 ? 77  THR B CA  1 
ATOM   614  C C   . THR A 1 71  ? -31.372 -0.064  -13.688 1.00 17.03 ? 77  THR B C   1 
ATOM   615  O O   . THR A 1 71  ? -31.811 0.285   -14.811 1.00 16.32 ? 77  THR B O   1 
ATOM   616  C CB  . THR A 1 71  ? -29.077 0.901   -13.492 1.00 16.90 ? 77  THR B CB  1 
ATOM   617  O OG1 . THR A 1 71  ? -27.710 0.610   -13.216 1.00 19.30 ? 77  THR B OG1 1 
ATOM   618  C CG2 . THR A 1 71  ? -29.638 1.817   -12.422 1.00 18.56 ? 77  THR B CG2 1 
ATOM   619  N N   . GLN A 1 72  ? -32.095 -0.210  -12.575 1.00 21.70 ? 78  GLN B N   1 
ATOM   620  C CA  . GLN A 1 72  ? -33.532 0.075   -12.338 1.00 25.45 ? 78  GLN B CA  1 
ATOM   621  C C   . GLN A 1 72  ? -34.471 -0.722  -13.252 1.00 25.37 ? 78  GLN B C   1 
ATOM   622  O O   . GLN A 1 72  ? -35.700 -0.433  -13.261 1.00 29.63 ? 78  GLN B O   1 
ATOM   623  C CB  . GLN A 1 72  ? -33.735 1.583   -12.389 1.00 33.49 ? 78  GLN B CB  1 
ATOM   624  C CG  . GLN A 1 72  ? -33.613 2.192   -13.778 1.00 38.48 ? 78  GLN B CG  1 
ATOM   625  C CD  . GLN A 1 72  ? -34.684 3.221   -14.042 1.00 39.93 ? 78  GLN B CD  1 
ATOM   626  O OE1 . GLN A 1 72  ? -34.441 4.242   -14.682 1.00 37.10 ? 78  GLN B OE1 1 
ATOM   627  N NE2 . GLN A 1 72  ? -35.894 2.916   -13.592 1.00 45.45 ? 78  GLN B NE2 1 
ATOM   628  N N   . LYS A 1 73  ? -34.010 -1.762  -13.948 1.00 16.32 ? 79  LYS B N   1 
ATOM   629  C CA  . LYS A 1 73  ? -34.988 -2.589  -14.658 1.00 14.91 ? 79  LYS B CA  1 
ATOM   630  C C   . LYS A 1 73  ? -35.673 -3.636  -13.757 1.00 13.33 ? 79  LYS B C   1 
ATOM   631  O O   . LYS A 1 73  ? -35.025 -4.193  -12.818 1.00 14.84 ? 79  LYS B O   1 
ATOM   632  C CB  . LYS A 1 73  ? -34.276 -3.289  -15.825 1.00 14.84 ? 79  LYS B CB  1 
ATOM   633  C CG  . LYS A 1 73  ? -33.796 -2.315  -16.907 1.00 14.75 ? 79  LYS B CG  1 
ATOM   634  C CD  . LYS A 1 73  ? -33.306 -2.925  -18.200 1.00 15.56 ? 79  LYS B CD  1 
ATOM   635  C CE  . LYS A 1 73  ? -34.378 -3.690  -18.924 1.00 15.02 ? 79  LYS B CE  1 
ATOM   636  N NZ  . LYS A 1 73  ? -35.558 -2.843  -19.272 1.00 13.89 ? 79  LYS B NZ  1 
ATOM   637  N N   . GLU A 1 74  ? -36.914 -3.959  -14.071 1.00 12.89 ? 80  GLU B N   1 
ATOM   638  C CA  . GLU A 1 74  ? -37.742 -4.969  -13.362 1.00 13.43 ? 80  GLU B CA  1 
ATOM   639  C C   . GLU A 1 74  ? -37.649 -6.337  -14.049 1.00 13.61 ? 80  GLU B C   1 
ATOM   640  O O   . GLU A 1 74  ? -38.039 -7.329  -13.456 1.00 14.09 ? 80  GLU B O   1 
ATOM   641  C CB  . GLU A 1 74  ? -39.224 -4.576  -13.335 1.00 15.05 ? 80  GLU B CB  1 
ATOM   642  C CG  . GLU A 1 74  ? -39.487 -3.324  -12.533 1.00 16.38 ? 80  GLU B CG  1 
ATOM   643  C CD  . GLU A 1 74  ? -40.948 -2.872  -12.663 1.00 16.05 ? 80  GLU B CD  1 
ATOM   644  O OE1 . GLU A 1 74  ? -41.325 -1.991  -11.865 1.00 20.37 ? 80  GLU B OE1 1 
ATOM   645  O OE2 . GLU A 1 74  ? -41.717 -3.423  -13.513 1.00 18.95 ? 80  GLU B OE2 1 
ATOM   646  N N   . ALA A 1 75  ? -37.283 -6.382  -15.327 1.00 12.67 ? 81  ALA B N   1 
ATOM   647  C CA  . ALA A 1 75  ? -37.291 -7.632  -16.108 1.00 12.24 ? 81  ALA B CA  1 
ATOM   648  C C   . ALA A 1 75  ? -36.279 -7.513  -17.237 1.00 12.79 ? 81  ALA B C   1 
ATOM   649  O O   . ALA A 1 75  ? -36.214 -6.464  -17.889 1.00 12.98 ? 81  ALA B O   1 
ATOM   650  C CB  . ALA A 1 75  ? -38.649 -7.981  -16.656 1.00 12.99 ? 81  ALA B CB  1 
ATOM   651  N N   . TRP A 1 76  ? -35.595 -8.612  -17.533 1.00 11.43 ? 82  TRP B N   1 
ATOM   652  C CA  . TRP A 1 76  ? -34.608 -8.683  -18.644 1.00 11.90 ? 82  TRP B CA  1 
ATOM   653  C C   . TRP A 1 76  ? -34.080 -10.100 -18.729 1.00 12.22 ? 82  TRP B C   1 
ATOM   654  O O   . TRP A 1 76  ? -34.201 -10.857 -17.760 1.00 12.20 ? 82  TRP B O   1 
ATOM   655  C CB  . TRP A 1 76  ? -33.440 -7.719  -18.441 1.00 12.18 ? 82  TRP B CB  1 
ATOM   656  C CG  . TRP A 1 76  ? -32.742 -7.740  -17.121 1.00 12.23 ? 82  TRP B CG  1 
ATOM   657  C CD1 . TRP A 1 76  ? -32.984 -6.888  -16.097 1.00 13.90 ? 82  TRP B CD1 1 
ATOM   658  C CD2 . TRP A 1 76  ? -31.831 -8.718  -16.573 1.00 12.06 ? 82  TRP B CD2 1 
ATOM   659  N NE1 . TRP A 1 76  ? -32.213 -7.172  -15.009 1.00 13.06 ? 82  TRP B NE1 1 
ATOM   660  C CE2 . TRP A 1 76  ? -31.484 -8.306  -15.280 1.00 13.24 ? 82  TRP B CE2 1 
ATOM   661  C CE3 . TRP A 1 76  ? -31.184 -9.849  -17.110 1.00 12.63 ? 82  TRP B CE3 1 
ATOM   662  C CZ2 . TRP A 1 76  ? -30.599 -8.986  -14.456 1.00 13.21 ? 82  TRP B CZ2 1 
ATOM   663  C CZ3 . TRP A 1 76  ? -30.297 -10.523 -16.298 1.00 12.87 ? 82  TRP B CZ3 1 
ATOM   664  C CH2 . TRP A 1 76  ? -29.984 -10.077 -15.005 1.00 14.11 ? 82  TRP B CH2 1 
ATOM   665  N N   . ASP A 1 77  ? -33.583 -10.466 -19.902 1.00 11.84 ? 83  ASP B N   1 
ATOM   666  C CA  . ASP A 1 77  ? -32.831 -11.735 -20.118 1.00 12.49 ? 83  ASP B CA  1 
ATOM   667  C C   . ASP A 1 77  ? -31.459 -11.339 -20.696 1.00 11.79 ? 83  ASP B C   1 
ATOM   668  O O   . ASP A 1 77  ? -31.418 -10.444 -21.565 1.00 11.69 ? 83  ASP B O   1 
ATOM   669  C CB  . ASP A 1 77  ? -33.521 -12.686 -21.081 1.00 13.60 ? 83  ASP B CB  1 
ATOM   670  C CG  . ASP A 1 77  ? -35.018 -12.924 -20.915 1.00 16.52 ? 83  ASP B CG  1 
ATOM   671  O OD1 . ASP A 1 77  ? -35.471 -12.886 -19.788 1.00 21.13 ? 83  ASP B OD1 1 
ATOM   672  O OD2 . ASP A 1 77  ? -35.674 -13.143 -21.958 1.00 19.78 ? 83  ASP B OD2 1 
ATOM   673  N N   . LEU A 1 78  ? -30.383 -12.035 -20.328 1.00 10.18 ? 84  LEU B N   1 
ATOM   674  C CA  . LEU A 1 78  ? -29.027 -11.775 -20.874 1.00 10.41 ? 84  LEU B CA  1 
ATOM   675  C C   . LEU A 1 78  ? -28.315 -13.108 -21.059 1.00 10.71 ? 84  LEU B C   1 
ATOM   676  O O   . LEU A 1 78  ? -28.421 -14.001 -20.202 1.00 10.89 ? 84  LEU B O   1 
ATOM   677  C CB  . LEU A 1 78  ? -28.173 -10.913 -19.954 1.00 11.00 ? 84  LEU B CB  1 
ATOM   678  C CG  . LEU A 1 78  ? -28.602 -9.462  -19.788 1.00 12.12 ? 84  LEU B CG  1 
ATOM   679  C CD1 . LEU A 1 78  ? -27.781 -8.825  -18.676 1.00 13.00 ? 84  LEU B CD1 1 
ATOM   680  C CD2 . LEU A 1 78  ? -28.400 -8.746  -21.098 1.00 12.76 ? 84  LEU B CD2 1 
ATOM   681  N N   . GLY A 1 79  ? -27.484 -13.169 -22.098 1.00 9.80  ? 85  GLY B N   1 
ATOM   682  C CA  . GLY A 1 79  ? -26.527 -14.281 -22.211 1.00 11.19 ? 85  GLY B CA  1 
ATOM   683  C C   . GLY A 1 79  ? -25.995 -14.362 -23.617 1.00 10.47 ? 85  GLY B C   1 
ATOM   684  O O   . GLY A 1 79  ? -25.622 -13.346 -24.220 1.00 10.36 ? 85  GLY B O   1 
ATOM   685  N N   A VAL A 1 80  ? -25.896 -15.596 -24.127 0.25 10.06 ? 86  VAL B N   1 
ATOM   686  N N   B VAL A 1 80  ? -26.004 -15.576 -24.162 0.25 10.78 ? 86  VAL B N   1 
ATOM   687  C CA  A VAL A 1 80  ? -25.516 -15.896 -25.536 0.25 10.24 ? 86  VAL B CA  1 
ATOM   688  C CA  B VAL A 1 80  ? -25.471 -15.860 -25.518 0.25 11.42 ? 86  VAL B CA  1 
ATOM   689  C C   A VAL A 1 80  ? -26.544 -16.849 -26.142 0.25 10.35 ? 86  VAL B C   1 
ATOM   690  C C   B VAL A 1 80  ? -26.364 -16.944 -26.139 0.25 11.11 ? 86  VAL B C   1 
ATOM   691  O O   A VAL A 1 80  ? -27.302 -17.542 -25.418 0.25 10.33 ? 86  VAL B O   1 
ATOM   692  O O   B VAL A 1 80  ? -26.920 -17.778 -25.400 0.25 11.00 ? 86  VAL B O   1 
ATOM   693  C CB  A VAL A 1 80  ? -24.111 -16.514 -25.662 0.25 10.14 ? 86  VAL B CB  1 
ATOM   694  C CB  B VAL A 1 80  ? -23.981 -16.246 -25.416 0.25 12.40 ? 86  VAL B CB  1 
ATOM   695  C CG1 A VAL A 1 80  ? -23.042 -15.474 -25.394 0.25 9.65  ? 86  VAL B CG1 1 
ATOM   696  C CG1 B VAL A 1 80  ? -23.788 -17.599 -24.750 0.25 12.39 ? 86  VAL B CG1 1 
ATOM   697  C CG2 A VAL A 1 80  ? -23.938 -17.715 -24.744 0.25 10.15 ? 86  VAL B CG2 1 
ATOM   698  C CG2 B VAL A 1 80  ? -23.278 -16.186 -26.756 0.25 13.06 ? 86  VAL B CG2 1 
ATOM   699  N N   . CYS A 1 81  ? -26.525 -16.931 -27.460 1.00 10.87 ? 87  CYS B N   1 
ATOM   700  C CA  . CYS A 1 81  ? -27.331 -17.924 -28.150 1.00 11.70 ? 87  CYS B CA  1 
ATOM   701  C C   . CYS A 1 81  ? -26.663 -18.339 -29.449 1.00 11.32 ? 87  CYS B C   1 
ATOM   702  O O   . CYS A 1 81  ? -25.751 -17.635 -29.978 1.00 11.75 ? 87  CYS B O   1 
ATOM   703  C CB  . CYS A 1 81  ? -28.733 -17.381 -28.392 1.00 13.02 ? 87  CYS B CB  1 
ATOM   704  S SG  . CYS A 1 81  ? -28.818 -15.997 -29.561 1.00 13.20 ? 87  CYS B SG  1 
ATOM   705  N N   A ARG A 1 82  ? -27.094 -19.475 -29.971 0.25 12.14 ? 88  ARG B N   1 
ATOM   706  N N   B ARG A 1 82  ? -27.085 -19.477 -29.971 0.25 10.93 ? 88  ARG B N   1 
ATOM   707  C CA  A ARG A 1 82  ? -26.684 -19.910 -31.326 0.25 13.31 ? 88  ARG B CA  1 
ATOM   708  C CA  B ARG A 1 82  ? -26.624 -19.947 -31.301 0.25 11.20 ? 88  ARG B CA  1 
ATOM   709  C C   A ARG A 1 82  ? -27.091 -18.853 -32.352 0.25 12.57 ? 88  ARG B C   1 
ATOM   710  C C   B ARG A 1 82  ? -27.135 -18.985 -32.389 0.25 11.55 ? 88  ARG B C   1 
ATOM   711  O O   A ARG A 1 82  ? -28.135 -18.205 -32.198 0.25 12.41 ? 88  ARG B O   1 
ATOM   712  O O   B ARG A 1 82  ? -28.313 -18.538 -32.305 0.25 11.50 ? 88  ARG B O   1 
ATOM   713  C CB  A ARG A 1 82  ? -27.350 -21.235 -31.687 0.25 14.86 ? 88  ARG B CB  1 
ATOM   714  C CB  B ARG A 1 82  ? -27.127 -21.375 -31.522 0.25 10.97 ? 88  ARG B CB  1 
ATOM   715  C CG  A ARG A 1 82  ? -26.775 -22.400 -30.910 0.25 16.61 ? 88  ARG B CG  1 
ATOM   716  C CG  B ARG A 1 82  ? -26.442 -22.087 -32.677 0.25 10.71 ? 88  ARG B CG  1 
ATOM   717  C CD  A ARG A 1 82  ? -27.323 -23.739 -31.354 0.25 18.61 ? 88  ARG B CD  1 
ATOM   718  C CD  B ARG A 1 82  ? -27.009 -23.459 -32.934 0.25 10.55 ? 88  ARG B CD  1 
ATOM   719  N NE  A ARG A 1 82  ? -27.019 -24.757 -30.361 0.25 18.13 ? 88  ARG B NE  1 
ATOM   720  N NE  B ARG A 1 82  ? -26.861 -24.291 -31.767 0.25 10.48 ? 88  ARG B NE  1 
ATOM   721  C CZ  A ARG A 1 82  ? -27.860 -25.705 -29.999 0.25 18.41 ? 88  ARG B CZ  1 
ATOM   722  C CZ  B ARG A 1 82  ? -27.865 -24.893 -31.124 0.25 10.18 ? 88  ARG B CZ  1 
ATOM   723  N NH1 A ARG A 1 82  ? -29.063 -25.762 -30.538 0.25 18.16 ? 88  ARG B NH1 1 
ATOM   724  N NH1 B ARG A 1 82  ? -29.093 -24.840 -31.580 0.25 11.58 ? 88  ARG B NH1 1 
ATOM   725  N NH2 A ARG A 1 82  ? -27.490 -26.597 -29.101 0.25 20.13 ? 88  ARG B NH2 1 
ATOM   726  N NH2 B ARG A 1 82  ? -27.613 -25.558 -30.014 0.25 9.88  ? 88  ARG B NH2 1 
ATOM   727  N N   . ASP A 1 83  ? -26.311 -18.727 -33.413 1.00 12.30 ? 89  ASP B N   1 
ATOM   728  C CA  . ASP A 1 83  ? -26.719 -17.808 -34.504 1.00 13.46 ? 89  ASP B CA  1 
ATOM   729  C C   . ASP A 1 83  ? -28.024 -18.297 -35.115 1.00 15.54 ? 89  ASP B C   1 
ATOM   730  O O   . ASP A 1 83  ? -28.741 -17.431 -35.694 1.00 19.10 ? 89  ASP B O   1 
ATOM   731  C CB  . ASP A 1 83  ? -25.584 -17.686 -35.511 1.00 16.10 ? 89  ASP B CB  1 
ATOM   732  C CG  . ASP A 1 83  ? -25.183 -18.936 -36.249 1.00 18.19 ? 89  ASP B CG  1 
ATOM   733  O OD1 . ASP A 1 83  ? -25.647 -20.038 -35.917 1.00 21.59 ? 89  ASP B OD1 1 
ATOM   734  O OD2 . ASP A 1 83  ? -24.366 -18.755 -37.185 1.00 20.71 ? 89  ASP B OD2 1 
ATOM   735  N N   . SER A 1 84  ? -28.351 -19.590 -35.098 1.00 13.41 ? 90  SER B N   1 
ATOM   736  C CA  . SER A 1 84  ? -29.510 -20.186 -35.795 1.00 15.41 ? 90  SER B CA  1 
ATOM   737  C C   . SER A 1 84  ? -30.756 -20.322 -34.902 1.00 14.24 ? 90  SER B C   1 
ATOM   738  O O   . SER A 1 84  ? -31.691 -21.044 -35.280 1.00 15.71 ? 90  SER B O   1 
ATOM   739  C CB  . SER A 1 84  ? -29.093 -21.504 -36.387 1.00 15.87 ? 90  SER B CB  1 
ATOM   740  O OG  . SER A 1 84  ? -28.621 -22.355 -35.400 1.00 17.91 ? 90  SER B OG  1 
ATOM   741  N N   . VAL A 1 85  ? -30.824 -19.659 -33.737 1.00 13.39 ? 91  VAL B N   1 
ATOM   742  C CA  . VAL A 1 85  ? -32.039 -19.786 -32.894 1.00 14.17 ? 91  VAL B CA  1 
ATOM   743  C C   . VAL A 1 85  ? -33.279 -19.318 -33.682 1.00 13.82 ? 91  VAL B C   1 
ATOM   744  O O   . VAL A 1 85  ? -33.203 -18.364 -34.497 1.00 14.38 ? 91  VAL B O   1 
ATOM   745  C CB  . VAL A 1 85  ? -31.918 -19.048 -31.541 1.00 13.69 ? 91  VAL B CB  1 
ATOM   746  C CG1 . VAL A 1 85  ? -30.885 -19.686 -30.638 1.00 13.57 ? 91  VAL B CG1 1 
ATOM   747  C CG2 . VAL A 1 85  ? -31.712 -17.568 -31.667 1.00 13.34 ? 91  VAL B CG2 1 
ATOM   748  N N   . GLN A 1 86  ? -34.400 -19.917 -33.329 1.00 15.89 ? 92  GLN B N   1 
ATOM   749  C CA  . GLN A 1 86  ? -35.748 -19.499 -33.808 1.00 17.29 ? 92  GLN B CA  1 
ATOM   750  C C   . GLN A 1 86  ? -35.982 -18.016 -33.499 1.00 15.80 ? 92  GLN B C   1 
ATOM   751  O O   . GLN A 1 86  ? -35.658 -17.557 -32.423 1.00 15.85 ? 92  GLN B O   1 
ATOM   752  C CB  . GLN A 1 86  ? -36.780 -20.372 -33.088 1.00 19.84 ? 92  GLN B CB  1 
ATOM   753  C CG  . GLN A 1 86  ? -38.256 -20.064 -33.331 1.00 22.79 ? 92  GLN B CG  1 
ATOM   754  C CD  . GLN A 1 86  ? -39.162 -20.888 -32.424 1.00 23.82 ? 92  GLN B CD  1 
ATOM   755  O OE1 . GLN A 1 86  ? -38.733 -21.852 -31.769 1.00 27.46 ? 92  GLN B OE1 1 
ATOM   756  N NE2 . GLN A 1 86  ? -40.445 -20.530 -32.326 1.00 24.59 ? 92  GLN B NE2 1 
ATOM   757  N N   . ARG A 1 87  ? -36.580 -17.297 -34.434 1.00 14.69 ? 93  ARG B N   1 
ATOM   758  C CA  . ARG A 1 87  ? -36.843 -15.844 -34.305 1.00 15.18 ? 93  ARG B CA  1 
ATOM   759  C C   . ARG A 1 87  ? -38.349 -15.600 -34.172 1.00 15.55 ? 93  ARG B C   1 
ATOM   760  O O   . ARG A 1 87  ? -38.706 -14.584 -33.556 1.00 15.42 ? 93  ARG B O   1 
ATOM   761  C CB  . ARG A 1 87  ? -36.306 -15.057 -35.502 1.00 15.97 ? 93  ARG B CB  1 
ATOM   762  C CG  . ARG A 1 87  ? -34.822 -15.244 -35.817 1.00 15.43 ? 93  ARG B CG  1 
ATOM   763  C CD  . ARG A 1 87  ? -33.926 -15.024 -34.597 1.00 15.43 ? 93  ARG B CD  1 
ATOM   764  N NE  . ARG A 1 87  ? -32.557 -15.466 -34.931 1.00 16.15 ? 93  ARG B NE  1 
ATOM   765  C CZ  . ARG A 1 87  ? -31.631 -14.735 -35.548 1.00 16.60 ? 93  ARG B CZ  1 
ATOM   766  N NH1 . ARG A 1 87  ? -31.870 -13.493 -35.933 1.00 17.65 ? 93  ARG B NH1 1 
ATOM   767  N NH2 . ARG A 1 87  ? -30.486 -15.283 -35.858 1.00 17.91 ? 93  ARG B NH2 1 
ATOM   768  N N   . LYS A 1 88  ? -39.188 -16.434 -34.794 1.00 15.87 ? 94  LYS B N   1 
ATOM   769  C CA  . LYS A 1 88  ? -40.644 -16.150 -34.902 1.00 15.63 ? 94  LYS B CA  1 
ATOM   770  C C   . LYS A 1 88  ? -41.454 -17.065 -33.990 1.00 17.04 ? 94  LYS B C   1 
ATOM   771  O O   . LYS A 1 88  ? -41.065 -18.246 -33.827 1.00 19.34 ? 94  LYS B O   1 
ATOM   772  C CB  . LYS A 1 88  ? -41.126 -16.330 -36.340 1.00 17.18 ? 94  LYS B CB  1 
ATOM   773  C CG  . LYS A 1 88  ? -40.274 -15.628 -37.364 1.00 18.12 ? 94  LYS B CG  1 
ATOM   774  C CD  . LYS A 1 88  ? -40.208 -14.130 -37.163 1.00 18.95 ? 94  LYS B CD  1 
ATOM   775  C CE  . LYS A 1 88  ? -39.458 -13.470 -38.294 1.00 18.41 ? 94  LYS B CE  1 
ATOM   776  N NZ  . LYS A 1 88  ? -39.298 -12.011 -38.106 1.00 19.69 ? 94  LYS B NZ  1 
ATOM   777  N N   . GLY A 1 89  ? -42.519 -16.546 -33.415 1.00 16.61 ? 95  GLY B N   1 
ATOM   778  C CA  . GLY A 1 89  ? -43.395 -17.333 -32.557 1.00 16.87 ? 95  GLY B CA  1 
ATOM   779  C C   . GLY A 1 89  ? -42.899 -17.493 -31.137 1.00 17.95 ? 95  GLY B C   1 
ATOM   780  O O   . GLY A 1 89  ? -41.954 -16.743 -30.703 1.00 17.38 ? 95  GLY B O   1 
ATOM   781  N N   . GLN A 1 90  ? -43.546 -18.383 -30.397 1.00 18.42 ? 96  GLN B N   1 
ATOM   782  C CA  . GLN A 1 90  ? -43.265 -18.604 -28.972 1.00 20.95 ? 96  GLN B CA  1 
ATOM   783  C C   . GLN A 1 90  ? -42.192 -19.664 -28.799 1.00 18.49 ? 96  GLN B C   1 
ATOM   784  O O   . GLN A 1 90  ? -42.127 -20.600 -29.575 1.00 19.63 ? 96  GLN B O   1 
ATOM   785  C CB  . GLN A 1 90  ? -44.559 -19.038 -28.267 1.00 25.22 ? 96  GLN B CB  1 
ATOM   786  C CG  . GLN A 1 90  ? -45.591 -17.939 -28.273 1.00 30.60 ? 96  GLN B CG  1 
ATOM   787  C CD  . GLN A 1 90  ? -46.946 -18.486 -27.930 1.00 41.67 ? 96  GLN B CD  1 
ATOM   788  O OE1 . GLN A 1 90  ? -47.251 -18.708 -26.761 1.00 51.97 ? 96  GLN B OE1 1 
ATOM   789  N NE2 . GLN A 1 90  ? -47.741 -18.739 -28.961 1.00 45.96 ? 96  GLN B NE2 1 
ATOM   790  N N   . PHE A 1 91  ? -41.302 -19.471 -27.830 1.00 17.12 ? 97  PHE B N   1 
ATOM   791  C CA  . PHE A 1 91  ? -40.271 -20.470 -27.478 1.00 17.05 ? 97  PHE B CA  1 
ATOM   792  C C   . PHE A 1 91  ? -39.755 -20.173 -26.068 1.00 16.82 ? 97  PHE B C   1 
ATOM   793  O O   . PHE A 1 91  ? -39.909 -19.060 -25.555 1.00 18.27 ? 97  PHE B O   1 
ATOM   794  C CB  . PHE A 1 91  ? -39.116 -20.417 -28.484 1.00 16.95 ? 97  PHE B CB  1 
ATOM   795  C CG  . PHE A 1 91  ? -38.481 -19.060 -28.636 1.00 16.39 ? 97  PHE B CG  1 
ATOM   796  C CD1 . PHE A 1 91  ? -37.475 -18.651 -27.767 1.00 17.60 ? 97  PHE B CD1 1 
ATOM   797  C CD2 . PHE A 1 91  ? -38.858 -18.211 -29.656 1.00 16.81 ? 97  PHE B CD2 1 
ATOM   798  C CE1 . PHE A 1 91  ? -36.864 -17.415 -27.940 1.00 15.21 ? 97  PHE B CE1 1 
ATOM   799  C CE2 . PHE A 1 91  ? -38.218 -16.995 -29.853 1.00 16.48 ? 97  PHE B CE2 1 
ATOM   800  C CZ  . PHE A 1 91  ? -37.246 -16.594 -28.977 1.00 16.30 ? 97  PHE B CZ  1 
ATOM   801  N N   A SER A 1 92  ? -39.172 -21.182 -25.426 0.25 17.54 ? 98  SER B N   1 
ATOM   802  N N   B SER A 1 92  ? -39.185 -21.200 -25.437 0.25 16.69 ? 98  SER B N   1 
ATOM   803  C CA  A SER A 1 92  ? -38.528 -21.051 -24.098 0.25 18.18 ? 98  SER B CA  1 
ATOM   804  C CA  B SER A 1 92  ? -38.508 -21.112 -24.123 0.25 16.78 ? 98  SER B CA  1 
ATOM   805  C C   A SER A 1 92  ? -37.020 -20.874 -24.274 0.25 16.37 ? 98  SER B C   1 
ATOM   806  C C   B SER A 1 92  ? -37.025 -20.798 -24.340 0.25 15.62 ? 98  SER B C   1 
ATOM   807  O O   A SER A 1 92  ? -36.426 -21.491 -25.182 0.25 16.00 ? 98  SER B O   1 
ATOM   808  O O   B SER A 1 92  ? -36.460 -21.207 -25.389 0.25 15.38 ? 98  SER B O   1 
ATOM   809  C CB  A SER A 1 92  ? -38.812 -22.235 -23.232 0.25 20.63 ? 98  SER B CB  1 
ATOM   810  C CB  B SER A 1 92  ? -38.669 -22.382 -23.327 0.25 17.87 ? 98  SER B CB  1 
ATOM   811  O OG  A SER A 1 92  ? -38.764 -23.414 -24.014 0.25 23.94 ? 98  SER B OG  1 
ATOM   812  O OG  B SER A 1 92  ? -40.043 -22.629 -23.045 0.25 18.78 ? 98  SER B OG  1 
ATOM   813  N N   . LEU A 1 93  ? -36.423 -20.094 -23.383 1.00 15.49 ? 99  LEU B N   1 
ATOM   814  C CA  . LEU A 1 93  ? -34.969 -19.911 -23.335 1.00 15.59 ? 99  LEU B CA  1 
ATOM   815  C C   . LEU A 1 93  ? -34.367 -21.119 -22.637 1.00 15.62 ? 99  LEU B C   1 
ATOM   816  O O   . LEU A 1 93  ? -34.486 -21.259 -21.422 1.00 18.30 ? 99  LEU B O   1 
ATOM   817  C CB  . LEU A 1 93  ? -34.651 -18.620 -22.590 1.00 15.32 ? 99  LEU B CB  1 
ATOM   818  C CG  . LEU A 1 93  ? -35.103 -17.329 -23.265 1.00 17.77 ? 99  LEU B CG  1 
ATOM   819  C CD1 . LEU A 1 93  ? -34.713 -16.127 -22.418 1.00 18.44 ? 99  LEU B CD1 1 
ATOM   820  C CD2 . LEU A 1 93  ? -34.524 -17.153 -24.647 1.00 18.01 ? 99  LEU B CD2 1 
ATOM   821  N N   . SER A 1 94  ? -33.704 -22.010 -23.367 1.00 14.62 ? 100 SER B N   1 
ATOM   822  C CA  . SER A 1 94  ? -33.098 -23.228 -22.800 1.00 14.36 ? 100 SER B CA  1 
ATOM   823  C C   . SER A 1 94  ? -31.926 -23.618 -23.688 1.00 13.32 ? 100 SER B C   1 
ATOM   824  O O   . SER A 1 94  ? -31.914 -23.293 -24.880 1.00 13.48 ? 100 SER B O   1 
ATOM   825  C CB  . SER A 1 94  ? -34.075 -24.392 -22.745 1.00 15.31 ? 100 SER B CB  1 
ATOM   826  O OG  . SER A 1 94  ? -34.432 -24.788 -24.073 1.00 19.08 ? 100 SER B OG  1 
ATOM   827  N N   . PRO A 1 95  ? -30.969 -24.370 -23.155 1.00 12.96 ? 101 PRO B N   1 
ATOM   828  C CA  . PRO A 1 95  ? -29.883 -24.905 -23.982 1.00 13.57 ? 101 PRO B CA  1 
ATOM   829  C C   . PRO A 1 95  ? -30.384 -25.770 -25.136 1.00 13.19 ? 101 PRO B C   1 
ATOM   830  O O   . PRO A 1 95  ? -29.830 -25.675 -26.244 1.00 14.35 ? 101 PRO B O   1 
ATOM   831  C CB  . PRO A 1 95  ? -29.028 -25.671 -22.974 1.00 14.73 ? 101 PRO B CB  1 
ATOM   832  C CG  . PRO A 1 95  ? -29.266 -24.890 -21.678 1.00 15.97 ? 101 PRO B CG  1 
ATOM   833  C CD  . PRO A 1 95  ? -30.750 -24.628 -21.723 1.00 15.05 ? 101 PRO B CD  1 
ATOM   834  N N   . GLU A 1 96  ? -31.466 -26.512 -24.923 1.00 14.14 ? 102 GLU B N   1 
ATOM   835  C CA  . GLU A 1 96  ? -32.032 -27.373 -26.004 1.00 17.18 ? 102 GLU B CA  1 
ATOM   836  C C   . GLU A 1 96  ? -32.459 -26.508 -27.191 1.00 16.94 ? 102 GLU B C   1 
ATOM   837  O O   . GLU A 1 96  ? -32.390 -26.958 -28.365 1.00 18.62 ? 102 GLU B O   1 
ATOM   838  C CB  . GLU A 1 96  ? -33.192 -28.197 -25.452 1.00 22.38 ? 102 GLU B CB  1 
ATOM   839  C CG  . GLU A 1 96  ? -32.798 -28.998 -24.233 1.00 30.50 ? 102 GLU B CG  1 
ATOM   840  C CD  . GLU A 1 96  ? -33.230 -28.401 -22.896 1.00 36.39 ? 102 GLU B CD  1 
ATOM   841  O OE1 . GLU A 1 96  ? -32.402 -27.637 -22.240 1.00 25.77 ? 102 GLU B OE1 1 
ATOM   842  O OE2 . GLU A 1 96  ? -34.379 -28.765 -22.470 1.00 43.46 ? 102 GLU B OE2 1 
ATOM   843  N N   . ASN A 1 97  ? -32.905 -25.280 -26.949 1.00 15.53 ? 103 ASN B N   1 
ATOM   844  C CA  . ASN A 1 97  ? -33.317 -24.339 -28.025 1.00 14.91 ? 103 ASN B CA  1 
ATOM   845  C C   . ASN A 1 97  ? -32.153 -23.436 -28.454 1.00 13.90 ? 103 ASN B C   1 
ATOM   846  O O   . ASN A 1 97  ? -32.381 -22.545 -29.280 1.00 14.95 ? 103 ASN B O   1 
ATOM   847  C CB  . ASN A 1 97  ? -34.513 -23.496 -27.561 1.00 16.22 ? 103 ASN B CB  1 
ATOM   848  C CG  . ASN A 1 97  ? -35.812 -24.266 -27.542 1.00 19.55 ? 103 ASN B CG  1 
ATOM   849  O OD1 . ASN A 1 97  ? -35.926 -25.326 -28.192 1.00 21.30 ? 103 ASN B OD1 1 
ATOM   850  N ND2 . ASN A 1 97  ? -36.780 -23.783 -26.770 1.00 19.81 ? 103 ASN B ND2 1 
ATOM   851  N N   . GLY A 1 98  ? -30.953 -23.588 -27.890 1.00 13.03 ? 104 GLY B N   1 
ATOM   852  C CA  . GLY A 1 98  ? -29.786 -22.805 -28.314 1.00 12.20 ? 104 GLY B CA  1 
ATOM   853  C C   . GLY A 1 98  ? -29.530 -21.522 -27.540 1.00 10.96 ? 104 GLY B C   1 
ATOM   854  O O   . GLY A 1 98  ? -28.856 -20.637 -28.076 1.00 12.12 ? 104 GLY B O   1 
ATOM   855  N N   . PHE A 1 99  ? -29.977 -21.442 -26.280 1.00 12.29 ? 105 PHE B N   1 
ATOM   856  C CA  . PHE A 1 99  ? -29.789 -20.238 -25.443 1.00 11.75 ? 105 PHE B CA  1 
ATOM   857  C C   . PHE A 1 99  ? -29.091 -20.593 -24.132 1.00 10.59 ? 105 PHE B C   1 
ATOM   858  O O   . PHE A 1 99  ? -29.554 -21.587 -23.487 1.00 12.33 ? 105 PHE B O   1 
ATOM   859  C CB  . PHE A 1 99  ? -31.133 -19.588 -25.086 1.00 12.13 ? 105 PHE B CB  1 
ATOM   860  C CG  . PHE A 1 99  ? -31.939 -19.101 -26.269 1.00 11.52 ? 105 PHE B CG  1 
ATOM   861  C CD1 . PHE A 1 99  ? -32.837 -19.956 -26.905 1.00 11.93 ? 105 PHE B CD1 1 
ATOM   862  C CD2 . PHE A 1 99  ? -31.818 -17.802 -26.730 1.00 11.65 ? 105 PHE B CD2 1 
ATOM   863  C CE1 . PHE A 1 99  ? -33.570 -19.519 -27.990 1.00 12.87 ? 105 PHE B CE1 1 
ATOM   864  C CE2 . PHE A 1 99  ? -32.576 -17.355 -27.797 1.00 12.26 ? 105 PHE B CE2 1 
ATOM   865  C CZ  . PHE A 1 99  ? -33.461 -18.214 -28.403 1.00 12.32 ? 105 PHE B CZ  1 
ATOM   866  N N   . TRP A 1 100 ? -28.147 -19.762 -23.712 1.00 10.43 ? 106 TRP B N   1 
ATOM   867  C CA  . TRP A 1 100 ? -27.460 -19.856 -22.394 1.00 10.52 ? 106 TRP B CA  1 
ATOM   868  C C   . TRP A 1 100 ? -27.615 -18.498 -21.699 1.00 9.78  ? 106 TRP B C   1 
ATOM   869  O O   . TRP A 1 100 ? -26.854 -17.555 -22.051 1.00 10.29 ? 106 TRP B O   1 
ATOM   870  C CB  . TRP A 1 100 ? -26.006 -20.310 -22.569 1.00 11.21 ? 106 TRP B CB  1 
ATOM   871  C CG  . TRP A 1 100 ? -25.928 -21.698 -23.158 1.00 10.90 ? 106 TRP B CG  1 
ATOM   872  C CD1 . TRP A 1 100 ? -25.810 -22.888 -22.495 1.00 11.87 ? 106 TRP B CD1 1 
ATOM   873  C CD2 . TRP A 1 100 ? -25.954 -22.034 -24.563 1.00 11.39 ? 106 TRP B CD2 1 
ATOM   874  N NE1 . TRP A 1 100 ? -25.830 -23.943 -23.402 1.00 12.52 ? 106 TRP B NE1 1 
ATOM   875  C CE2 . TRP A 1 100 ? -25.900 -23.435 -24.667 1.00 12.37 ? 106 TRP B CE2 1 
ATOM   876  C CE3 . TRP A 1 100 ? -26.015 -21.260 -25.716 1.00 11.86 ? 106 TRP B CE3 1 
ATOM   877  C CZ2 . TRP A 1 100 ? -25.940 -24.090 -25.912 1.00 12.80 ? 106 TRP B CZ2 1 
ATOM   878  C CZ3 . TRP A 1 100 ? -26.043 -21.909 -26.941 1.00 12.96 ? 106 TRP B CZ3 1 
ATOM   879  C CH2 . TRP A 1 100 ? -26.022 -23.282 -27.026 1.00 12.77 ? 106 TRP B CH2 1 
ATOM   880  N N   . THR A 1 101 ? -28.618 -18.405 -20.812 1.00 10.54 ? 107 THR B N   1 
ATOM   881  C CA  . THR A 1 101 ? -29.115 -17.099 -20.335 1.00 10.59 ? 107 THR B CA  1 
ATOM   882  C C   . THR A 1 101 ? -29.434 -17.147 -18.847 1.00 10.47 ? 107 THR B C   1 
ATOM   883  O O   . THR A 1 101 ? -29.704 -18.239 -18.317 1.00 10.73 ? 107 THR B O   1 
ATOM   884  C CB  . THR A 1 101 ? -30.356 -16.662 -21.103 1.00 10.65 ? 107 THR B CB  1 
ATOM   885  O OG1 . THR A 1 101 ? -31.424 -17.570 -20.895 1.00 10.99 ? 107 THR B OG1 1 
ATOM   886  C CG2 . THR A 1 101 ? -30.069 -16.486 -22.580 1.00 10.50 ? 107 THR B CG2 1 
ATOM   887  N N   . ILE A 1 102 ? -29.494 -15.957 -18.246 1.00 10.10 ? 108 ILE B N   1 
ATOM   888  C CA  . ILE A 1 102 ? -30.129 -15.736 -16.914 1.00 10.67 ? 108 ILE B CA  1 
ATOM   889  C C   . ILE A 1 102 ? -31.145 -14.624 -17.110 1.00 10.83 ? 108 ILE B C   1 
ATOM   890  O O   . ILE A 1 102 ? -31.069 -13.872 -18.108 1.00 10.83 ? 108 ILE B O   1 
ATOM   891  C CB  . ILE A 1 102 ? -29.103 -15.416 -15.808 1.00 11.47 ? 108 ILE B CB  1 
ATOM   892  C CG1 . ILE A 1 102 ? -28.399 -14.084 -16.009 1.00 12.15 ? 108 ILE B CG1 1 
ATOM   893  C CG2 . ILE A 1 102 ? -28.105 -16.560 -15.673 1.00 12.12 ? 108 ILE B CG2 1 
ATOM   894  C CD1 . ILE A 1 102 ? -27.593 -13.579 -14.820 1.00 13.51 ? 108 ILE B CD1 1 
ATOM   895  N N   . TRP A 1 103 ? -31.990 -14.450 -16.101 1.00 10.84 ? 109 TRP B N   1 
ATOM   896  C CA  . TRP A 1 103 ? -32.999 -13.388 -16.180 1.00 11.23 ? 109 TRP B CA  1 
ATOM   897  C C   . TRP A 1 103 ? -33.452 -12.936 -14.818 1.00 11.68 ? 109 TRP B C   1 
ATOM   898  O O   . TRP A 1 103 ? -33.248 -13.610 -13.799 1.00 12.44 ? 109 TRP B O   1 
ATOM   899  C CB  . TRP A 1 103 ? -34.154 -13.809 -17.041 1.00 14.83 ? 109 TRP B CB  1 
ATOM   900  C CG  . TRP A 1 103 ? -34.960 -14.945 -16.529 1.00 16.43 ? 109 TRP B CG  1 
ATOM   901  C CD1 . TRP A 1 103 ? -35.867 -14.943 -15.502 1.00 18.34 ? 109 TRP B CD1 1 
ATOM   902  C CD2 . TRP A 1 103 ? -35.066 -16.218 -17.163 1.00 17.47 ? 109 TRP B CD2 1 
ATOM   903  N NE1 . TRP A 1 103 ? -36.501 -16.150 -15.440 1.00 21.34 ? 109 TRP B NE1 1 
ATOM   904  C CE2 . TRP A 1 103 ? -36.058 -16.946 -16.456 1.00 18.99 ? 109 TRP B CE2 1 
ATOM   905  C CE3 . TRP A 1 103 ? -34.446 -16.786 -18.279 1.00 19.34 ? 109 TRP B CE3 1 
ATOM   906  C CZ2 . TRP A 1 103 ? -36.410 -18.250 -16.795 1.00 21.44 ? 109 TRP B CZ2 1 
ATOM   907  C CZ3 . TRP A 1 103 ? -34.818 -18.063 -18.618 1.00 20.50 ? 109 TRP B CZ3 1 
ATOM   908  C CH2 . TRP A 1 103 ? -35.791 -18.764 -17.912 1.00 19.30 ? 109 TRP B CH2 1 
ATOM   909  N N   . LEU A 1 104 ? -34.048 -11.740 -14.850 1.00 11.59 ? 110 LEU B N   1 
ATOM   910  C CA  . LEU A 1 104 ? -34.834 -11.206 -13.727 1.00 12.04 ? 110 LEU B CA  1 
ATOM   911  C C   . LEU A 1 104 ? -36.288 -11.199 -14.161 1.00 11.54 ? 110 LEU B C   1 
ATOM   912  O O   . LEU A 1 104 ? -36.602 -10.697 -15.222 1.00 11.91 ? 110 LEU B O   1 
ATOM   913  C CB  . LEU A 1 104 ? -34.361 -9.805  -13.386 1.00 12.58 ? 110 LEU B CB  1 
ATOM   914  C CG  . LEU A 1 104 ? -35.196 -9.015  -12.384 1.00 12.89 ? 110 LEU B CG  1 
ATOM   915  C CD1 . LEU A 1 104 ? -35.210 -9.692  -11.028 1.00 13.56 ? 110 LEU B CD1 1 
ATOM   916  C CD2 . LEU A 1 104 ? -34.706 -7.580  -12.280 1.00 14.65 ? 110 LEU B CD2 1 
ATOM   917  N N   . TRP A 1 105 ? -37.192 -11.639 -13.279 1.00 13.42 ? 111 TRP B N   1 
ATOM   918  C CA  . TRP A 1 105 ? -38.637 -11.634 -13.538 1.00 15.08 ? 111 TRP B CA  1 
ATOM   919  C C   . TRP A 1 105 ? -39.377 -11.686 -12.210 1.00 14.68 ? 111 TRP B C   1 
ATOM   920  O O   . TRP A 1 105 ? -39.042 -12.565 -11.400 1.00 14.52 ? 111 TRP B O   1 
ATOM   921  C CB  . TRP A 1 105 ? -38.973 -12.852 -14.398 1.00 18.32 ? 111 TRP B CB  1 
ATOM   922  C CG  . TRP A 1 105 ? -40.411 -13.124 -14.529 1.00 24.09 ? 111 TRP B CG  1 
ATOM   923  C CD1 . TRP A 1 105 ? -41.171 -14.101 -13.937 1.00 25.55 ? 111 TRP B CD1 1 
ATOM   924  C CD2 . TRP A 1 105 ? -41.266 -12.328 -15.308 1.00 24.97 ? 111 TRP B CD2 1 
ATOM   925  N NE1 . TRP A 1 105 ? -42.447 -13.987 -14.356 1.00 27.70 ? 111 TRP B NE1 1 
ATOM   926  C CE2 . TRP A 1 105 ? -42.544 -12.904 -15.180 1.00 23.27 ? 111 TRP B CE2 1 
ATOM   927  C CE3 . TRP A 1 105 ? -41.066 -11.211 -16.099 1.00 22.36 ? 111 TRP B CE3 1 
ATOM   928  C CZ2 . TRP A 1 105 ? -43.635 -12.389 -15.841 1.00 31.48 ? 111 TRP B CZ2 1 
ATOM   929  C CZ3 . TRP A 1 105 ? -42.154 -10.689 -16.739 1.00 30.58 ? 111 TRP B CZ3 1 
ATOM   930  C CH2 . TRP A 1 105 ? -43.416 -11.259 -16.590 1.00 29.76 ? 111 TRP B CH2 1 
ATOM   931  N N   . GLN A 1 106 ? -40.260 -10.712 -11.960 1.00 14.25 ? 112 GLN B N   1 
ATOM   932  C CA  . GLN A 1 106 ? -41.094 -10.740 -10.726 1.00 14.81 ? 112 GLN B CA  1 
ATOM   933  C C   . GLN A 1 106 ? -40.234 -10.926 -9.495  1.00 14.65 ? 112 GLN B C   1 
ATOM   934  O O   . GLN A 1 106 ? -40.581 -11.773 -8.570  1.00 16.35 ? 112 GLN B O   1 
ATOM   935  C CB  . GLN A 1 106 ? -42.217 -11.771 -10.902 1.00 15.64 ? 112 GLN B CB  1 
ATOM   936  C CG  . GLN A 1 106 ? -43.183 -11.406 -12.012 1.00 16.51 ? 112 GLN B CG  1 
ATOM   937  C CD  . GLN A 1 106 ? -44.449 -12.221 -12.083 1.00 19.14 ? 112 GLN B CD  1 
ATOM   938  O OE1 . GLN A 1 106 ? -45.414 -11.858 -12.782 1.00 21.64 ? 112 GLN B OE1 1 
ATOM   939  N NE2 . GLN A 1 106 ? -44.480 -13.305 -11.342 1.00 17.09 ? 112 GLN B NE2 1 
ATOM   940  N N   . ASP A 1 107 ? -39.203 -10.115 -9.360  1.00 14.88 ? 113 ASP B N   1 
ATOM   941  C CA  . ASP A 1 107 ? -38.394 -10.017 -8.139  1.00 17.94 ? 113 ASP B CA  1 
ATOM   942  C C   . ASP A 1 107 ? -37.608 -11.304 -7.849  1.00 19.59 ? 113 ASP B C   1 
ATOM   943  O O   . ASP A 1 107 ? -37.105 -11.467 -6.726  1.00 25.63 ? 113 ASP B O   1 
ATOM   944  C CB  . ASP A 1 107 ? -39.354 -9.781  -6.975  1.00 21.26 ? 113 ASP B CB  1 
ATOM   945  C CG  . ASP A 1 107 ? -38.713 -9.125  -5.801  1.00 29.07 ? 113 ASP B CG  1 
ATOM   946  O OD1 . ASP A 1 107 ? -37.808 -8.288  -6.019  1.00 33.64 ? 113 ASP B OD1 1 
ATOM   947  O OD2 . ASP A 1 107 ? -39.196 -9.414  -4.664  1.00 38.52 ? 113 ASP B OD2 1 
ATOM   948  N N   . SER A 1 108 ? -37.420 -12.171 -8.826  1.00 16.04 ? 114 SER B N   1 
ATOM   949  C CA  . SER A 1 108 ? -36.543 -13.371 -8.664  1.00 16.99 ? 114 SER B CA  1 
ATOM   950  C C   . SER A 1 108 ? -35.581 -13.472 -9.857  1.00 15.26 ? 114 SER B C   1 
ATOM   951  O O   . SER A 1 108 ? -35.943 -13.124 -11.019 1.00 14.90 ? 114 SER B O   1 
ATOM   952  C CB  . SER A 1 108 ? -37.368 -14.597 -8.403  1.00 22.40 ? 114 SER B CB  1 
ATOM   953  O OG  . SER A 1 108 ? -37.921 -15.135 -9.573  1.00 32.30 ? 114 SER B OG  1 
ATOM   954  N N   . TYR A 1 109 ? -34.391 -13.953 -9.587  1.00 14.15 ? 115 TYR B N   1 
ATOM   955  C CA  . TYR A 1 109 ? -33.359 -14.204 -10.634 1.00 13.20 ? 115 TYR B CA  1 
ATOM   956  C C   . TYR A 1 109 ? -33.308 -15.696 -10.886 1.00 13.32 ? 115 TYR B C   1 
ATOM   957  O O   . TYR A 1 109 ? -33.313 -16.492 -9.928  1.00 13.73 ? 115 TYR B O   1 
ATOM   958  C CB  . TYR A 1 109 ? -32.005 -13.675 -10.182 1.00 12.63 ? 115 TYR B CB  1 
ATOM   959  C CG  . TYR A 1 109 ? -31.958 -12.169 -9.967  1.00 13.37 ? 115 TYR B CG  1 
ATOM   960  C CD1 . TYR A 1 109 ? -32.194 -11.617 -8.716  1.00 14.43 ? 115 TYR B CD1 1 
ATOM   961  C CD2 . TYR A 1 109 ? -31.586 -11.312 -10.987 1.00 13.21 ? 115 TYR B CD2 1 
ATOM   962  C CE1 . TYR A 1 109 ? -32.106 -10.249 -8.498  1.00 15.25 ? 115 TYR B CE1 1 
ATOM   963  C CE2 . TYR A 1 109 ? -31.523 -9.934  -10.793 1.00 14.28 ? 115 TYR B CE2 1 
ATOM   964  C CZ  . TYR A 1 109 ? -31.779 -9.405  -9.537  1.00 14.97 ? 115 TYR B CZ  1 
ATOM   965  O OH  . TYR A 1 109 ? -31.783 -8.047  -9.299  1.00 15.77 ? 115 TYR B OH  1 
ATOM   966  N N   A GLU A 1 110 ? -33.255 -16.103 -12.154 0.25 13.59 ? 116 GLU B N   1 
ATOM   967  N N   B GLU A 1 110 ? -33.280 -16.082 -12.163 0.25 12.87 ? 116 GLU B N   1 
ATOM   968  C CA  A GLU A 1 110 ? -33.249 -17.539 -12.535 0.25 14.22 ? 116 GLU B CA  1 
ATOM   969  C CA  B GLU A 1 110 ? -33.307 -17.497 -12.620 0.25 12.98 ? 116 GLU B CA  1 
ATOM   970  C C   A GLU A 1 110 ? -32.351 -17.774 -13.749 0.25 12.63 ? 116 GLU B C   1 
ATOM   971  C C   B GLU A 1 110 ? -32.224 -17.710 -13.692 0.25 11.76 ? 116 GLU B C   1 
ATOM   972  O O   A GLU A 1 110 ? -32.328 -16.936 -14.649 0.25 12.78 ? 116 GLU B O   1 
ATOM   973  O O   B GLU A 1 110 ? -31.850 -16.751 -14.396 0.25 11.28 ? 116 GLU B O   1 
ATOM   974  C CB  A GLU A 1 110 ? -34.658 -18.044 -12.829 0.25 16.08 ? 116 GLU B CB  1 
ATOM   975  C CB  B GLU A 1 110 ? -34.693 -17.882 -13.150 0.25 13.92 ? 116 GLU B CB  1 
ATOM   976  C CG  A GLU A 1 110 ? -35.548 -18.084 -11.591 0.25 18.18 ? 116 GLU B CG  1 
ATOM   977  C CG  B GLU A 1 110 ? -35.838 -17.726 -12.139 0.25 15.53 ? 116 GLU B CG  1 
ATOM   978  C CD  A GLU A 1 110 ? -37.011 -18.263 -11.928 0.25 20.80 ? 116 GLU B CD  1 
ATOM   979  C CD  B GLU A 1 110 ? -36.016 -18.879 -11.154 0.25 16.55 ? 116 GLU B CD  1 
ATOM   980  O OE1 A GLU A 1 110 ? -37.425 -17.757 -12.982 0.25 22.88 ? 116 GLU B OE1 1 
ATOM   981  O OE1 B GLU A 1 110 ? -35.562 -20.003 -11.446 0.25 19.84 ? 116 GLU B OE1 1 
ATOM   982  O OE2 A GLU A 1 110 ? -37.732 -18.906 -11.138 0.25 21.87 ? 116 GLU B OE2 1 
ATOM   983  O OE2 B GLU A 1 110 ? -36.636 -18.655 -10.106 0.25 21.84 ? 116 GLU B OE2 1 
ATOM   984  N N   . ALA A 1 111 ? -31.692 -18.932 -13.780 1.00 12.09 ? 117 ALA B N   1 
ATOM   985  C CA  . ALA A 1 111 ? -30.932 -19.380 -14.953 1.00 11.69 ? 117 ALA B CA  1 
ATOM   986  C C   . ALA A 1 111 ? -31.858 -20.160 -15.872 1.00 11.63 ? 117 ALA B C   1 
ATOM   987  O O   . ALA A 1 111 ? -32.714 -20.955 -15.436 1.00 12.89 ? 117 ALA B O   1 
ATOM   988  C CB  . ALA A 1 111 ? -29.764 -20.274 -14.554 1.00 12.12 ? 117 ALA B CB  1 
ATOM   989  N N   . GLY A 1 112 ? -31.686 -19.918 -17.186 1.00 11.99 ? 118 GLY B N   1 
ATOM   990  C CA  . GLY A 1 112 ? -32.514 -20.490 -18.260 1.00 12.92 ? 118 GLY B CA  1 
ATOM   991  C C   . GLY A 1 112 ? -32.163 -21.924 -18.568 1.00 13.09 ? 118 GLY B C   1 
ATOM   992  O O   . GLY A 1 112 ? -31.896 -22.265 -19.704 1.00 15.57 ? 118 GLY B O   1 
ATOM   993  N N   . THR A 1 113 ? -32.161 -22.782 -17.569 1.00 14.78 ? 119 THR B N   1 
ATOM   994  C CA  . THR A 1 113 ? -32.132 -24.250 -17.737 1.00 16.39 ? 119 THR B CA  1 
ATOM   995  C C   . THR A 1 113 ? -33.570 -24.732 -17.979 1.00 16.92 ? 119 THR B C   1 
ATOM   996  O O   . THR A 1 113 ? -34.499 -23.910 -17.821 1.00 19.27 ? 119 THR B O   1 
ATOM   997  C CB  . THR A 1 113 ? -31.478 -24.872 -16.515 1.00 14.29 ? 119 THR B CB  1 
ATOM   998  O OG1 . THR A 1 113 ? -32.203 -24.397 -15.365 1.00 14.44 ? 119 THR B OG1 1 
ATOM   999  C CG2 . THR A 1 113 ? -30.040 -24.518 -16.318 1.00 15.75 ? 119 THR B CG2 1 
ATOM   1000 N N   . SER A 1 114 ? -33.769 -25.996 -18.355 1.00 20.43 ? 120 SER B N   1 
ATOM   1001 C CA  . SER A 1 114 ? -35.133 -26.548 -18.511 1.00 22.35 ? 120 SER B CA  1 
ATOM   1002 C C   . SER A 1 114 ? -35.307 -27.720 -17.542 1.00 23.35 ? 120 SER B C   1 
ATOM   1003 O O   . SER A 1 114 ? -34.684 -28.763 -17.710 1.00 25.74 ? 120 SER B O   1 
ATOM   1004 C CB  . SER A 1 114 ? -35.405 -26.948 -19.958 1.00 28.25 ? 120 SER B CB  1 
ATOM   1005 O OG  . SER A 1 114 ? -36.782 -27.331 -20.114 1.00 31.59 ? 120 SER B OG  1 
ATOM   1006 N N   . PRO A 1 115 ? -36.063 -27.581 -16.439 1.00 22.62 ? 121 PRO B N   1 
ATOM   1007 C CA  . PRO A 1 115 ? -36.716 -26.350 -16.037 1.00 22.28 ? 121 PRO B CA  1 
ATOM   1008 C C   . PRO A 1 115 ? -35.726 -25.352 -15.420 1.00 18.57 ? 121 PRO B C   1 
ATOM   1009 O O   . PRO A 1 115 ? -34.572 -25.683 -15.155 1.00 17.60 ? 121 PRO B O   1 
ATOM   1010 C CB  . PRO A 1 115 ? -37.716 -26.813 -14.984 1.00 25.71 ? 121 PRO B CB  1 
ATOM   1011 C CG  . PRO A 1 115 ? -36.986 -27.938 -14.299 1.00 24.11 ? 121 PRO B CG  1 
ATOM   1012 C CD  . PRO A 1 115 ? -36.236 -28.641 -15.422 1.00 24.62 ? 121 PRO B CD  1 
ATOM   1013 N N   . GLN A 1 116 ? -36.177 -24.121 -15.247 1.00 19.02 ? 122 GLN B N   1 
ATOM   1014 C CA  . GLN A 1 116 ? -35.310 -23.010 -14.791 1.00 18.00 ? 122 GLN B CA  1 
ATOM   1015 C C   . GLN A 1 116 ? -34.777 -23.260 -13.375 1.00 15.10 ? 122 GLN B C   1 
ATOM   1016 O O   . GLN A 1 116 ? -35.426 -23.993 -12.580 1.00 16.82 ? 122 GLN B O   1 
ATOM   1017 C CB  . GLN A 1 116 ? -36.026 -21.660 -14.889 1.00 21.55 ? 122 GLN B CB  1 
ATOM   1018 C CG  . GLN A 1 116 ? -37.069 -21.437 -13.821 1.00 28.85 ? 122 GLN B CG  1 
ATOM   1019 C CD  . GLN A 1 116 ? -38.464 -21.510 -14.374 1.00 39.85 ? 122 GLN B CD  1 
ATOM   1020 O OE1 . GLN A 1 116 ? -38.814 -22.420 -15.136 1.00 48.54 ? 122 GLN B OE1 1 
ATOM   1021 N NE2 . GLN A 1 116 ? -39.269 -20.546 -13.965 1.00 46.03 ? 122 GLN B NE2 1 
ATOM   1022 N N   . THR A 1 117 ? -33.627 -22.668 -13.082 1.00 13.48 ? 123 THR B N   1 
ATOM   1023 C CA  . THR A 1 117 ? -32.922 -22.850 -11.805 1.00 13.17 ? 123 THR B CA  1 
ATOM   1024 C C   . THR A 1 117 ? -32.953 -21.531 -11.034 1.00 13.44 ? 123 THR B C   1 
ATOM   1025 O O   . THR A 1 117 ? -32.475 -20.501 -11.557 1.00 14.06 ? 123 THR B O   1 
ATOM   1026 C CB  . THR A 1 117 ? -31.483 -23.319 -12.060 1.00 12.90 ? 123 THR B CB  1 
ATOM   1027 O OG1 . THR A 1 117 ? -31.529 -24.542 -12.803 1.00 14.40 ? 123 THR B OG1 1 
ATOM   1028 C CG2 . THR A 1 117 ? -30.732 -23.477 -10.759 1.00 14.22 ? 123 THR B CG2 1 
ATOM   1029 N N   . THR A 1 118 ? -33.354 -21.571 -9.765  1.00 14.22 ? 124 THR B N   1 
ATOM   1030 C CA  . THR A 1 118 ? -33.299 -20.423 -8.841  1.00 14.89 ? 124 THR B CA  1 
ATOM   1031 C C   . THR A 1 118 ? -31.873 -19.951 -8.584  1.00 14.24 ? 124 THR B C   1 
ATOM   1032 O O   . THR A 1 118 ? -30.974 -20.808 -8.304  1.00 16.53 ? 124 THR B O   1 
ATOM   1033 C CB  . THR A 1 118 ? -33.883 -20.858 -7.491  1.00 17.55 ? 124 THR B CB  1 
ATOM   1034 O OG1 . THR A 1 118 ? -35.251 -21.188 -7.709  1.00 21.26 ? 124 THR B OG1 1 
ATOM   1035 C CG2 . THR A 1 118 ? -33.635 -19.820 -6.420  1.00 20.15 ? 124 THR B CG2 1 
ATOM   1036 N N   . LEU A 1 119 ? -31.624 -18.658 -8.692  1.00 12.50 ? 125 LEU B N   1 
ATOM   1037 C CA  . LEU A 1 119 ? -30.323 -18.043 -8.407  1.00 12.21 ? 125 LEU B CA  1 
ATOM   1038 C C   . LEU A 1 119 ? -30.409 -17.455 -6.995  1.00 15.00 ? 125 LEU B C   1 
ATOM   1039 O O   . LEU A 1 119 ? -31.543 -17.126 -6.532  1.00 20.60 ? 125 LEU B O   1 
ATOM   1040 C CB  . LEU A 1 119 ? -29.938 -16.989 -9.464  1.00 13.06 ? 125 LEU B CB  1 
ATOM   1041 C CG  . LEU A 1 119 ? -29.831 -17.547 -10.887 1.00 12.72 ? 125 LEU B CG  1 
ATOM   1042 C CD1 . LEU A 1 119 ? -29.597 -16.441 -11.893 1.00 13.12 ? 125 LEU B CD1 1 
ATOM   1043 C CD2 . LEU A 1 119 ? -28.724 -18.604 -10.972 1.00 13.68 ? 125 LEU B CD2 1 
ATOM   1044 N N   . HIS A 1 120 ? -29.282 -17.366 -6.319  1.00 14.30 ? 126 HIS B N   1 
ATOM   1045 C CA  . HIS A 1 120 ? -29.185 -16.897 -4.915  1.00 14.33 ? 126 HIS B CA  1 
ATOM   1046 C C   . HIS A 1 120 ? -28.375 -15.616 -4.971  1.00 15.78 ? 126 HIS B C   1 
ATOM   1047 O O   . HIS A 1 120 ? -27.132 -15.677 -4.961  1.00 22.04 ? 126 HIS B O   1 
ATOM   1048 C CB  . HIS A 1 120 ? -28.527 -17.997 -4.062  1.00 15.75 ? 126 HIS B CB  1 
ATOM   1049 C CG  . HIS A 1 120 ? -29.273 -19.290 -4.039  1.00 15.56 ? 126 HIS B CG  1 
ATOM   1050 N ND1 . HIS A 1 120 ? -28.928 -20.370 -4.862  1.00 18.09 ? 126 HIS B ND1 1 
ATOM   1051 C CD2 . HIS A 1 120 ? -30.336 -19.697 -3.329  1.00 18.14 ? 126 HIS B CD2 1 
ATOM   1052 C CE1 . HIS A 1 120 ? -29.788 -21.348 -4.633  1.00 19.69 ? 126 HIS B CE1 1 
ATOM   1053 N NE2 . HIS A 1 120 ? -30.620 -20.990 -3.671  1.00 17.73 ? 126 HIS B NE2 1 
ATOM   1054 N N   . ILE A 1 121 ? -29.037 -14.473 -5.125  1.00 18.16 ? 127 ILE B N   1 
ATOM   1055 C CA  . ILE A 1 121 ? -28.339 -13.169 -5.254  1.00 19.82 ? 127 ILE B CA  1 
ATOM   1056 C C   . ILE A 1 121 ? -28.664 -12.309 -4.003  1.00 20.80 ? 127 ILE B C   1 
ATOM   1057 O O   . ILE A 1 121 ? -29.835 -12.031 -3.767  1.00 26.98 ? 127 ILE B O   1 
ATOM   1058 C CB  . ILE A 1 121 ? -28.770 -12.527 -6.589  1.00 21.30 ? 127 ILE B CB  1 
ATOM   1059 C CG1 . ILE A 1 121 ? -28.229 -13.372 -7.767  1.00 19.83 ? 127 ILE B CG1 1 
ATOM   1060 C CG2 . ILE A 1 121 ? -28.335 -11.066 -6.600  1.00 26.04 ? 127 ILE B CG2 1 
ATOM   1061 C CD1 . ILE A 1 121 ? -28.354 -12.757 -9.141  1.00 21.83 ? 127 ILE B CD1 1 
ATOM   1062 N N   . GLN A 1 122 ? -27.661 -11.990 -3.199  1.00 24.59 ? 128 GLN B N   1 
ATOM   1063 C CA  . GLN A 1 122 ? -27.869 -11.179 -1.959  1.00 27.80 ? 128 GLN B CA  1 
ATOM   1064 C C   . GLN A 1 122 ? -27.878 -9.686  -2.332  1.00 23.92 ? 128 GLN B C   1 
ATOM   1065 O O   . GLN A 1 122 ? -28.655 -8.913  -1.694  1.00 24.61 ? 128 GLN B O   1 
ATOM   1066 C CB  . GLN A 1 122 ? -26.789 -11.532 -0.928  1.00 32.43 ? 128 GLN B CB  1 
ATOM   1067 C CG  . GLN A 1 122 ? -26.901 -10.768 0.393   1.00 41.20 ? 128 GLN B CG  1 
ATOM   1068 C CD  . GLN A 1 122 ? -28.139 -11.095 1.203   1.00 47.71 ? 128 GLN B CD  1 
ATOM   1069 O OE1 . GLN A 1 122 ? -28.926 -11.980 0.868   1.00 52.46 ? 128 GLN B OE1 1 
ATOM   1070 N NE2 . GLN A 1 122 ? -28.341 -10.348 2.277   1.00 53.72 ? 128 GLN B NE2 1 
ATOM   1071 N N   . VAL A 1 123 ? -27.086 -9.301  -3.330  1.00 20.98 ? 129 VAL B N   1 
ATOM   1072 C CA  . VAL A 1 123 ? -26.925 -7.880  -3.756  1.00 19.45 ? 129 VAL B CA  1 
ATOM   1073 C C   . VAL A 1 123 ? -27.510 -7.714  -5.157  1.00 19.76 ? 129 VAL B C   1 
ATOM   1074 O O   . VAL A 1 123 ? -26.902 -8.204  -6.102  1.00 17.99 ? 129 VAL B O   1 
ATOM   1075 C CB  . VAL A 1 123 ? -25.451 -7.445  -3.724  1.00 20.45 ? 129 VAL B CB  1 
ATOM   1076 C CG1 . VAL A 1 123 ? -25.247 -6.019  -4.246  1.00 21.58 ? 129 VAL B CG1 1 
ATOM   1077 C CG2 . VAL A 1 123 ? -24.864 -7.569  -2.318  1.00 22.97 ? 129 VAL B CG2 1 
ATOM   1078 N N   . PRO A 1 124 ? -28.714 -7.134  -5.341  1.00 17.94 ? 130 PRO B N   1 
ATOM   1079 C CA  . PRO A 1 124 ? -29.306 -6.997  -6.681  1.00 17.93 ? 130 PRO B CA  1 
ATOM   1080 C C   . PRO A 1 124 ? -28.316 -6.329  -7.614  1.00 17.63 ? 130 PRO B C   1 
ATOM   1081 O O   . PRO A 1 124 ? -27.814 -5.267  -7.327  1.00 17.09 ? 130 PRO B O   1 
ATOM   1082 C CB  . PRO A 1 124 ? -30.529 -6.105  -6.417  1.00 20.46 ? 130 PRO B CB  1 
ATOM   1083 C CG  . PRO A 1 124 ? -30.944 -6.539  -5.005  1.00 21.98 ? 130 PRO B CG  1 
ATOM   1084 C CD  . PRO A 1 124 ? -29.643 -6.662  -4.285  1.00 20.95 ? 130 PRO B CD  1 
ATOM   1085 N N   . PRO A 1 125 ? -27.904 -6.976  -8.727  1.00 15.58 ? 131 PRO B N   1 
ATOM   1086 C CA  . PRO A 1 125 ? -26.899 -6.399  -9.594  1.00 15.26 ? 131 PRO B CA  1 
ATOM   1087 C C   . PRO A 1 125 ? -27.404 -5.181  -10.382 1.00 15.12 ? 131 PRO B C   1 
ATOM   1088 O O   . PRO A 1 125 ? -28.508 -5.233  -10.902 1.00 16.38 ? 131 PRO B O   1 
ATOM   1089 C CB  . PRO A 1 125 ? -26.507 -7.534  -10.549 1.00 17.13 ? 131 PRO B CB  1 
ATOM   1090 C CG  . PRO A 1 125 ? -27.617 -8.533  -10.444 1.00 18.15 ? 131 PRO B CG  1 
ATOM   1091 C CD  . PRO A 1 125 ? -28.302 -8.341  -9.115  1.00 16.78 ? 131 PRO B CD  1 
ATOM   1092 N N   . CYS A 1 126 ? -26.537 -4.203  -10.537 1.00 15.16 ? 132 CYS B N   1 
ATOM   1093 C CA  . CYS A 1 126 ? -26.756 -3.077  -11.488 1.00 16.64 ? 132 CYS B CA  1 
ATOM   1094 C C   . CYS A 1 126 ? -25.969 -3.326  -12.777 1.00 15.07 ? 132 CYS B C   1 
ATOM   1095 O O   . CYS A 1 126 ? -26.289 -2.730  -13.813 1.00 14.06 ? 132 CYS B O   1 
ATOM   1096 C CB  . CYS A 1 126 ? -26.330 -1.744  -10.906 1.00 19.38 ? 132 CYS B CB  1 
ATOM   1097 S SG  . CYS A 1 126 ? -27.366 -1.304  -9.482  1.00 25.70 ? 132 CYS B SG  1 
ATOM   1098 N N   A GLN A 1 127 ? -24.922 -4.161  -12.733 0.25 15.33 ? 133 GLN B N   1 
ATOM   1099 N N   B GLN A 1 127 ? -24.988 -4.228  -12.709 0.25 15.75 ? 133 GLN B N   1 
ATOM   1100 C CA  A GLN A 1 127 ? -24.156 -4.565  -13.945 0.25 15.74 ? 133 GLN B CA  1 
ATOM   1101 C CA  B GLN A 1 127 ? -24.122 -4.592  -13.855 0.25 16.56 ? 133 GLN B CA  1 
ATOM   1102 C C   A GLN A 1 127 ? -23.760 -6.039  -13.834 0.25 15.64 ? 133 GLN B C   1 
ATOM   1103 C C   B GLN A 1 127 ? -23.862 -6.099  -13.793 0.25 16.19 ? 133 GLN B C   1 
ATOM   1104 O O   A GLN A 1 127 ? -23.341 -6.476  -12.739 0.25 13.83 ? 133 GLN B O   1 
ATOM   1105 O O   B GLN A 1 127 ? -23.720 -6.651  -12.674 0.25 13.86 ? 133 GLN B O   1 
ATOM   1106 C CB  A GLN A 1 127 ? -22.883 -3.748  -14.179 0.25 17.34 ? 133 GLN B CB  1 
ATOM   1107 C CB  B GLN A 1 127 ? -22.834 -3.768  -13.839 0.25 19.00 ? 133 GLN B CB  1 
ATOM   1108 C CG  A GLN A 1 127 ? -23.122 -2.267  -14.428 0.25 18.65 ? 133 GLN B CG  1 
ATOM   1109 C CG  B GLN A 1 127 ? -23.079 -2.270  -13.938 0.25 21.11 ? 133 GLN B CG  1 
ATOM   1110 C CD  A GLN A 1 127 ? -22.978 -1.491  -13.143 0.25 20.64 ? 133 GLN B CD  1 
ATOM   1111 C CD  B GLN A 1 127 ? -21.852 -1.497  -14.355 0.25 22.54 ? 133 GLN B CD  1 
ATOM   1112 O OE1 A GLN A 1 127 ? -22.203 -1.866  -12.264 0.25 21.14 ? 133 GLN B OE1 1 
ATOM   1113 O OE1 B GLN A 1 127 ? -20.738 -2.016  -14.381 0.25 26.78 ? 133 GLN B OE1 1 
ATOM   1114 N NE2 A GLN A 1 127 ? -23.734 -0.407  -13.019 0.25 21.06 ? 133 GLN B NE2 1 
ATOM   1115 N NE2 B GLN A 1 127 ? -22.054 -0.237  -14.691 0.25 25.26 ? 133 GLN B NE2 1 
ATOM   1116 N N   . ILE A 1 128 ? -23.903 -6.744  -14.957 1.00 14.57 ? 134 ILE B N   1 
ATOM   1117 C CA  . ILE A 1 128 ? -23.696 -8.205  -15.102 1.00 14.49 ? 134 ILE B CA  1 
ATOM   1118 C C   . ILE A 1 128 ? -22.495 -8.386  -16.019 1.00 14.07 ? 134 ILE B C   1 
ATOM   1119 O O   . ILE A 1 128 ? -22.425 -7.776  -17.116 1.00 13.29 ? 134 ILE B O   1 
ATOM   1120 C CB  . ILE A 1 128 ? -24.958 -8.853  -15.705 1.00 14.45 ? 134 ILE B CB  1 
ATOM   1121 C CG1 . ILE A 1 128 ? -26.221 -8.643  -14.859 1.00 17.57 ? 134 ILE B CG1 1 
ATOM   1122 C CG2 . ILE A 1 128 ? -24.670 -10.329 -16.001 1.00 15.37 ? 134 ILE B CG2 1 
ATOM   1123 C CD1 . ILE A 1 128 ? -26.275 -9.447  -13.623 1.00 16.07 ? 134 ILE B CD1 1 
ATOM   1124 N N   . GLY A 1 129 ? -21.539 -9.229  -15.613 1.00 13.60 ? 135 GLY B N   1 
ATOM   1125 C CA  . GLY A 1 129 ? -20.448 -9.675  -16.486 1.00 13.33 ? 135 GLY B CA  1 
ATOM   1126 C C   . GLY A 1 129 ? -20.758 -11.050 -17.061 1.00 13.07 ? 135 GLY B C   1 
ATOM   1127 O O   . GLY A 1 129 ? -21.326 -11.915 -16.373 1.00 13.00 ? 135 GLY B O   1 
ATOM   1128 N N   . ILE A 1 130 ? -20.505 -11.211 -18.358 1.00 13.30 ? 136 ILE B N   1 
ATOM   1129 C CA  . ILE A 1 130 ? -20.744 -12.475 -19.090 1.00 12.71 ? 136 ILE B CA  1 
ATOM   1130 C C   . ILE A 1 130 ? -19.427 -12.958 -19.666 1.00 13.05 ? 136 ILE B C   1 
ATOM   1131 O O   . ILE A 1 130 ? -18.750 -12.203 -20.394 1.00 13.03 ? 136 ILE B O   1 
ATOM   1132 C CB  . ILE A 1 130 ? -21.802 -12.283 -20.190 1.00 14.19 ? 136 ILE B CB  1 
ATOM   1133 C CG1 . ILE A 1 130 ? -23.106 -11.782 -19.572 1.00 15.48 ? 136 ILE B CG1 1 
ATOM   1134 C CG2 . ILE A 1 130 ? -22.005 -13.567 -21.005 1.00 14.03 ? 136 ILE B CG2 1 
ATOM   1135 C CD1 . ILE A 1 130 ? -24.155 -11.363 -20.540 1.00 18.41 ? 136 ILE B CD1 1 
ATOM   1136 N N   . PHE A 1 131 ? -19.064 -14.168 -19.293 1.00 12.65 ? 137 PHE B N   1 
ATOM   1137 C CA  . PHE A 1 131 ? -17.826 -14.846 -19.760 1.00 12.98 ? 137 PHE B CA  1 
ATOM   1138 C C   . PHE A 1 131 ? -18.199 -16.087 -20.568 1.00 12.43 ? 137 PHE B C   1 
ATOM   1139 O O   . PHE A 1 131 ? -18.988 -16.923 -20.098 1.00 12.75 ? 137 PHE B O   1 
ATOM   1140 C CB  . PHE A 1 131 ? -16.947 -15.256 -18.576 1.00 14.11 ? 137 PHE B CB  1 
ATOM   1141 C CG  . PHE A 1 131 ? -15.701 -16.017 -18.970 1.00 14.53 ? 137 PHE B CG  1 
ATOM   1142 C CD1 . PHE A 1 131 ? -14.680 -15.382 -19.653 1.00 16.43 ? 137 PHE B CD1 1 
ATOM   1143 C CD2 . PHE A 1 131 ? -15.522 -17.340 -18.609 1.00 16.54 ? 137 PHE B CD2 1 
ATOM   1144 C CE1 . PHE A 1 131 ? -13.527 -16.080 -20.000 1.00 19.19 ? 137 PHE B CE1 1 
ATOM   1145 C CE2 . PHE A 1 131 ? -14.376 -18.042 -18.973 1.00 17.83 ? 137 PHE B CE2 1 
ATOM   1146 C CZ  . PHE A 1 131 ? -13.371 -17.394 -19.635 1.00 16.58 ? 137 PHE B CZ  1 
ATOM   1147 N N   . VAL A 1 132 ? -17.610 -16.222 -21.766 1.00 12.84 ? 138 VAL B N   1 
ATOM   1148 C CA  . VAL A 1 132 ? -17.768 -17.409 -22.644 1.00 13.04 ? 138 VAL B CA  1 
ATOM   1149 C C   . VAL A 1 132 ? -16.398 -18.002 -22.953 1.00 12.18 ? 138 VAL B C   1 
ATOM   1150 O O   . VAL A 1 132 ? -15.498 -17.285 -23.400 1.00 13.76 ? 138 VAL B O   1 
ATOM   1151 C CB  . VAL A 1 132 ? -18.518 -17.082 -23.952 1.00 12.90 ? 138 VAL B CB  1 
ATOM   1152 C CG1 . VAL A 1 132 ? -18.668 -18.336 -24.822 1.00 14.53 ? 138 VAL B CG1 1 
ATOM   1153 C CG2 . VAL A 1 132 ? -19.867 -16.445 -23.644 1.00 14.09 ? 138 VAL B CG2 1 
ATOM   1154 N N   . ASP A 1 133 ? -16.218 -19.267 -22.624 1.00 13.07 ? 139 ASP B N   1 
ATOM   1155 C CA  . ASP A 1 133 ? -15.045 -20.066 -23.089 1.00 13.94 ? 139 ASP B CA  1 
ATOM   1156 C C   . ASP A 1 133 ? -15.561 -21.091 -24.090 1.00 13.53 ? 139 ASP B C   1 
ATOM   1157 O O   . ASP A 1 133 ? -16.221 -22.072 -23.734 1.00 13.39 ? 139 ASP B O   1 
ATOM   1158 C CB  . ASP A 1 133 ? -14.322 -20.681 -21.907 1.00 13.83 ? 139 ASP B CB  1 
ATOM   1159 C CG  . ASP A 1 133 ? -13.044 -21.411 -22.303 1.00 17.01 ? 139 ASP B CG  1 
ATOM   1160 O OD1 . ASP A 1 133 ? -12.947 -21.850 -23.465 1.00 17.15 ? 139 ASP B OD1 1 
ATOM   1161 O OD2 . ASP A 1 133 ? -12.222 -21.614 -21.375 1.00 19.95 ? 139 ASP B OD2 1 
ATOM   1162 N N   . TYR A 1 134 ? -15.333 -20.827 -25.376 1.00 13.80 ? 140 TYR B N   1 
ATOM   1163 C CA  . TYR A 1 134 ? -15.955 -21.639 -26.448 1.00 13.07 ? 140 TYR B CA  1 
ATOM   1164 C C   . TYR A 1 134 ? -15.434 -23.090 -26.388 1.00 14.04 ? 140 TYR B C   1 
ATOM   1165 O O   . TYR A 1 134 ? -16.196 -24.028 -26.292 1.00 15.50 ? 140 TYR B O   1 
ATOM   1166 C CB  . TYR A 1 134 ? -15.704 -21.029 -27.828 1.00 13.72 ? 140 TYR B CB  1 
ATOM   1167 C CG  . TYR A 1 134 ? -16.647 -21.624 -28.836 1.00 13.43 ? 140 TYR B CG  1 
ATOM   1168 C CD1 . TYR A 1 134 ? -16.466 -22.908 -29.327 1.00 13.28 ? 140 TYR B CD1 1 
ATOM   1169 C CD2 . TYR A 1 134 ? -17.782 -20.944 -29.270 1.00 13.96 ? 140 TYR B CD2 1 
ATOM   1170 C CE1 . TYR A 1 134 ? -17.376 -23.505 -30.183 1.00 13.88 ? 140 TYR B CE1 1 
ATOM   1171 C CE2 . TYR A 1 134 ? -18.712 -21.539 -30.110 1.00 13.22 ? 140 TYR B CE2 1 
ATOM   1172 C CZ  . TYR A 1 134 ? -18.466 -22.796 -30.643 1.00 12.66 ? 140 TYR B CZ  1 
ATOM   1173 O OH  . TYR A 1 134 ? -19.378 -23.422 -31.441 1.00 13.51 ? 140 TYR B OH  1 
ATOM   1174 N N   . GLU A 1 135 ? -14.136 -23.226 -26.288 1.00 15.43 ? 141 GLU B N   1 
ATOM   1175 C CA  . GLU A 1 135 ? -13.509 -24.568 -26.295 1.00 16.01 ? 141 GLU B CA  1 
ATOM   1176 C C   . GLU A 1 135 ? -13.940 -25.356 -25.074 1.00 15.46 ? 141 GLU B C   1 
ATOM   1177 O O   . GLU A 1 135 ? -14.276 -26.568 -25.225 1.00 18.11 ? 141 GLU B O   1 
ATOM   1178 C CB  . GLU A 1 135 ? -11.994 -24.466 -26.439 1.00 18.60 ? 141 GLU B CB  1 
ATOM   1179 C CG  . GLU A 1 135 ? -11.554 -24.299 -27.906 1.00 23.70 ? 141 GLU B CG  1 
ATOM   1180 C CD  . GLU A 1 135 ? -11.867 -22.945 -28.459 1.00 25.12 ? 141 GLU B CD  1 
ATOM   1181 O OE1 . GLU A 1 135 ? -12.029 -22.839 -29.646 1.00 26.53 ? 141 GLU B OE1 1 
ATOM   1182 O OE2 . GLU A 1 135 ? -11.957 -21.983 -27.656 1.00 25.50 ? 141 GLU B OE2 1 
ATOM   1183 N N   . ALA A 1 136 ? -13.957 -24.748 -23.891 1.00 14.69 ? 142 ALA B N   1 
ATOM   1184 C CA  . ALA A 1 136 ? -14.320 -25.431 -22.635 1.00 15.73 ? 142 ALA B CA  1 
ATOM   1185 C C   . ALA A 1 136 ? -15.822 -25.729 -22.548 1.00 15.99 ? 142 ALA B C   1 
ATOM   1186 O O   . ALA A 1 136 ? -16.229 -26.603 -21.763 1.00 17.63 ? 142 ALA B O   1 
ATOM   1187 C CB  . ALA A 1 136 ? -13.859 -24.614 -21.462 1.00 17.15 ? 142 ALA B CB  1 
ATOM   1188 N N   . GLY A 1 137 ? -16.663 -25.064 -23.340 1.00 13.17 ? 143 GLY B N   1 
ATOM   1189 C CA  . GLY A 1 137 ? -18.102 -25.239 -23.234 1.00 12.93 ? 143 GLY B CA  1 
ATOM   1190 C C   . GLY A 1 137 ? -18.637 -24.594 -21.957 1.00 12.44 ? 143 GLY B C   1 
ATOM   1191 O O   . GLY A 1 137 ? -19.441 -25.272 -21.262 1.00 12.78 ? 143 GLY B O   1 
ATOM   1192 N N   . VAL A 1 138 ? -18.255 -23.359 -21.665 1.00 12.79 ? 144 VAL B N   1 
ATOM   1193 C CA  . VAL A 1 138 ? -18.641 -22.656 -20.403 1.00 12.16 ? 144 VAL B CA  1 
ATOM   1194 C C   . VAL A 1 138 ? -19.259 -21.302 -20.743 1.00 12.22 ? 144 VAL B C   1 
ATOM   1195 O O   . VAL A 1 138 ? -18.655 -20.514 -21.529 1.00 13.28 ? 144 VAL B O   1 
ATOM   1196 C CB  . VAL A 1 138 ? -17.403 -22.480 -19.517 1.00 13.55 ? 144 VAL B CB  1 
ATOM   1197 C CG1 . VAL A 1 138 ? -17.624 -21.541 -18.334 1.00 14.09 ? 144 VAL B CG1 1 
ATOM   1198 C CG2 . VAL A 1 138 ? -16.917 -23.837 -19.056 1.00 14.74 ? 144 VAL B CG2 1 
ATOM   1199 N N   . VAL A 1 139 ? -20.336 -20.984 -20.033 1.00 12.08 ? 145 VAL B N   1 
ATOM   1200 C CA  . VAL A 1 139 ? -20.893 -19.603 -19.981 1.00 11.02 ? 145 VAL B CA  1 
ATOM   1201 C C   . VAL A 1 139 ? -21.106 -19.229 -18.509 1.00 10.47 ? 145 VAL B C   1 
ATOM   1202 O O   . VAL A 1 139 ? -21.881 -19.947 -17.809 1.00 11.97 ? 145 VAL B O   1 
ATOM   1203 C CB  . VAL A 1 139 ? -22.212 -19.475 -20.767 1.00 11.53 ? 145 VAL B CB  1 
ATOM   1204 C CG1 . VAL A 1 139 ? -22.685 -18.026 -20.786 1.00 11.40 ? 145 VAL B CG1 1 
ATOM   1205 C CG2 . VAL A 1 139 ? -22.079 -20.039 -22.172 1.00 12.02 ? 145 VAL B CG2 1 
ATOM   1206 N N   . SER A 1 140 ? -20.414 -18.206 -18.044 1.00 11.72 ? 146 SER B N   1 
ATOM   1207 C CA  . SER A 1 140 ? -20.524 -17.777 -16.634 1.00 11.81 ? 146 SER B CA  1 
ATOM   1208 C C   . SER A 1 140 ? -21.031 -16.343 -16.549 1.00 11.54 ? 146 SER B C   1 
ATOM   1209 O O   . SER A 1 140 ? -20.699 -15.506 -17.398 1.00 12.37 ? 146 SER B O   1 
ATOM   1210 C CB  . SER A 1 140 ? -19.211 -17.946 -15.910 1.00 12.63 ? 146 SER B CB  1 
ATOM   1211 O OG  . SER A 1 140 ? -18.805 -19.323 -15.812 1.00 13.28 ? 146 SER B OG  1 
ATOM   1212 N N   . PHE A 1 141 ? -21.708 -16.063 -15.437 1.00 10.95 ? 147 PHE B N   1 
ATOM   1213 C CA  . PHE A 1 141 ? -22.339 -14.765 -15.129 1.00 11.51 ? 147 PHE B CA  1 
ATOM   1214 C C   . PHE A 1 141 ? -21.799 -14.278 -13.793 1.00 11.64 ? 147 PHE B C   1 
ATOM   1215 O O   . PHE A 1 141 ? -21.799 -15.082 -12.814 1.00 11.91 ? 147 PHE B O   1 
ATOM   1216 C CB  . PHE A 1 141 ? -23.873 -14.873 -15.119 1.00 11.24 ? 147 PHE B CB  1 
ATOM   1217 C CG  . PHE A 1 141 ? -24.435 -15.271 -16.451 1.00 10.89 ? 147 PHE B CG  1 
ATOM   1218 C CD1 . PHE A 1 141 ? -24.481 -16.614 -16.827 1.00 10.96 ? 147 PHE B CD1 1 
ATOM   1219 C CD2 . PHE A 1 141 ? -24.943 -14.308 -17.322 1.00 11.65 ? 147 PHE B CD2 1 
ATOM   1220 C CE1 . PHE A 1 141 ? -24.995 -16.985 -18.073 1.00 10.81 ? 147 PHE B CE1 1 
ATOM   1221 C CE2 . PHE A 1 141 ? -25.451 -14.701 -18.558 1.00 11.20 ? 147 PHE B CE2 1 
ATOM   1222 C CZ  . PHE A 1 141 ? -25.487 -16.033 -18.922 1.00 10.83 ? 147 PHE B CZ  1 
ATOM   1223 N N   . TYR A 1 142 ? -21.446 -13.001 -13.752 1.00 12.33 ? 148 TYR B N   1 
ATOM   1224 C CA  . TYR A 1 142 ? -20.817 -12.366 -12.563 1.00 12.83 ? 148 TYR B CA  1 
ATOM   1225 C C   . TYR A 1 142 ? -21.598 -11.120 -12.151 1.00 14.48 ? 148 TYR B C   1 
ATOM   1226 O O   . TYR A 1 142 ? -22.064 -10.340 -12.981 1.00 14.71 ? 148 TYR B O   1 
ATOM   1227 C CB  . TYR A 1 142 ? -19.359 -12.062 -12.835 1.00 13.00 ? 148 TYR B CB  1 
ATOM   1228 C CG  . TYR A 1 142 ? -18.547 -13.312 -13.105 1.00 14.04 ? 148 TYR B CG  1 
ATOM   1229 C CD1 . TYR A 1 142 ? -18.068 -14.092 -12.074 1.00 14.10 ? 148 TYR B CD1 1 
ATOM   1230 C CD2 . TYR A 1 142 ? -18.339 -13.767 -14.393 1.00 14.54 ? 148 TYR B CD2 1 
ATOM   1231 C CE1 . TYR A 1 142 ? -17.396 -15.282 -12.308 1.00 15.18 ? 148 TYR B CE1 1 
ATOM   1232 C CE2 . TYR A 1 142 ? -17.687 -14.967 -14.650 1.00 14.83 ? 148 TYR B CE2 1 
ATOM   1233 C CZ  . TYR A 1 142 ? -17.150 -15.700 -13.609 1.00 15.25 ? 148 TYR B CZ  1 
ATOM   1234 O OH  . TYR A 1 142 ? -16.504 -16.892 -13.855 1.00 17.97 ? 148 TYR B OH  1 
ATOM   1235 N N   . ASN A 1 143 ? -21.633 -10.866 -10.845 1.00 15.29 ? 149 ASN B N   1 
ATOM   1236 C CA  . ASN A 1 143 ? -22.351 -9.700  -10.236 1.00 14.86 ? 149 ASN B CA  1 
ATOM   1237 C C   . ASN A 1 143 ? -21.332 -8.588  -10.035 1.00 14.83 ? 149 ASN B C   1 
ATOM   1238 O O   . ASN A 1 143 ? -20.573 -8.617  -9.037  1.00 15.51 ? 149 ASN B O   1 
ATOM   1239 C CB  . ASN A 1 143 ? -22.992 -10.128 -8.931  1.00 14.83 ? 149 ASN B CB  1 
ATOM   1240 C CG  . ASN A 1 143 ? -23.799 -9.032  -8.248  1.00 14.35 ? 149 ASN B CG  1 
ATOM   1241 O OD1 . ASN A 1 143 ? -23.633 -7.871  -8.607  1.00 16.12 ? 149 ASN B OD1 1 
ATOM   1242 N ND2 . ASN A 1 143 ? -24.703 -9.424  -7.390  1.00 15.68 ? 149 ASN B ND2 1 
ATOM   1243 N N   . ILE A 1 144 ? -21.243 -7.627  -10.942 1.00 15.70 ? 150 ILE B N   1 
ATOM   1244 C CA  . ILE A 1 144 ? -20.170 -6.610  -10.897 1.00 16.26 ? 150 ILE B CA  1 
ATOM   1245 C C   . ILE A 1 144 ? -20.429 -5.711  -9.673  1.00 17.89 ? 150 ILE B C   1 
ATOM   1246 O O   . ILE A 1 144 ? -19.429 -5.224  -9.086  1.00 20.24 ? 150 ILE B O   1 
ATOM   1247 C CB  . ILE A 1 144 ? -20.164 -5.815  -12.208 1.00 17.73 ? 150 ILE B CB  1 
ATOM   1248 C CG1 . ILE A 1 144 ? -19.959 -6.724  -13.426 1.00 17.82 ? 150 ILE B CG1 1 
ATOM   1249 C CG2 . ILE A 1 144 ? -19.134 -4.702  -12.135 1.00 20.07 ? 150 ILE B CG2 1 
ATOM   1250 C CD1 . ILE A 1 144 ? -18.888 -7.745  -13.243 1.00 21.74 ? 150 ILE B CD1 1 
ATOM   1251 N N   . THR A 1 145 ? -21.682 -5.512  -9.289  1.00 17.29 ? 151 THR B N   1 
ATOM   1252 C CA  . THR A 1 145 ? -22.086 -4.667  -8.108  1.00 18.23 ? 151 THR B CA  1 
ATOM   1253 C C   . THR A 1 145 ? -21.547 -5.285  -6.817  1.00 21.28 ? 151 THR B C   1 
ATOM   1254 O O   . THR A 1 145 ? -21.167 -4.508  -5.901  1.00 24.89 ? 151 THR B O   1 
ATOM   1255 C CB  . THR A 1 145 ? -23.613 -4.522  -8.075  1.00 17.76 ? 151 THR B CB  1 
ATOM   1256 O OG1 . THR A 1 145 ? -23.968 -4.043  -9.372  1.00 17.72 ? 151 THR B OG1 1 
ATOM   1257 C CG2 . THR A 1 145 ? -24.044 -3.514  -7.037  1.00 19.32 ? 151 THR B CG2 1 
ATOM   1258 N N   . ASP A 1 146 ? -21.453 -6.606  -6.742  1.00 19.82 ? 152 ASP B N   1 
ATOM   1259 C CA  . ASP A 1 146 ? -20.948 -7.392  -5.570  1.00 19.25 ? 152 ASP B CA  1 
ATOM   1260 C C   . ASP A 1 146 ? -19.525 -7.926  -5.831  1.00 19.90 ? 152 ASP B C   1 
ATOM   1261 O O   . ASP A 1 146 ? -19.304 -9.114  -5.649  1.00 21.52 ? 152 ASP B O   1 
ATOM   1262 C CB  . ASP A 1 146 ? -21.999 -8.403  -5.174  1.00 19.81 ? 152 ASP B CB  1 
ATOM   1263 C CG  . ASP A 1 146 ? -21.631 -9.165  -3.920  1.00 24.58 ? 152 ASP B CG  1 
ATOM   1264 O OD1 . ASP A 1 146 ? -21.209 -8.491  -2.963  1.00 24.96 ? 152 ASP B OD1 1 
ATOM   1265 O OD2 . ASP A 1 146 ? -21.714 -10.407 -3.945  1.00 23.22 ? 152 ASP B OD2 1 
ATOM   1266 N N   . HIS A 1 147 ? -18.594 -7.064  -6.212  1.00 22.31 ? 153 HIS B N   1 
ATOM   1267 C CA  . HIS A 1 147 ? -17.148 -7.377  -6.314  1.00 26.30 ? 153 HIS B CA  1 
ATOM   1268 C C   . HIS A 1 147 ? -16.956 -8.556  -7.278  1.00 25.00 ? 153 HIS B C   1 
ATOM   1269 O O   . HIS A 1 147 ? -16.016 -9.323  -7.109  1.00 27.23 ? 153 HIS B O   1 
ATOM   1270 C CB  . HIS A 1 147 ? -16.555 -7.746  -4.948  1.00 30.37 ? 153 HIS B CB  1 
ATOM   1271 C CG  . HIS A 1 147 ? -16.786 -6.758  -3.848  1.00 38.18 ? 153 HIS B CG  1 
ATOM   1272 N ND1 . HIS A 1 147 ? -16.205 -5.501  -3.842  1.00 46.61 ? 153 HIS B ND1 1 
ATOM   1273 C CD2 . HIS A 1 147 ? -17.473 -6.868  -2.687  1.00 43.90 ? 153 HIS B CD2 1 
ATOM   1274 C CE1 . HIS A 1 147 ? -16.559 -4.859  -2.740  1.00 47.84 ? 153 HIS B CE1 1 
ATOM   1275 N NE2 . HIS A 1 147 ? -17.338 -5.682  -2.011  1.00 47.46 ? 153 HIS B NE2 1 
ATOM   1276 N N   . GLY A 1 148 ? -17.838 -8.727  -8.260  1.00 20.15 ? 154 GLY B N   1 
ATOM   1277 C CA  . GLY A 1 148 ? -17.586 -9.768  -9.278  1.00 18.74 ? 154 GLY B CA  1 
ATOM   1278 C C   . GLY A 1 148 ? -18.004 -11.156 -8.844  1.00 16.77 ? 154 GLY B C   1 
ATOM   1279 O O   . GLY A 1 148 ? -17.451 -12.109 -9.420  1.00 17.36 ? 154 GLY B O   1 
ATOM   1280 N N   . SER A 1 149 ? -18.857 -11.305 -7.846  1.00 16.27 ? 155 SER B N   1 
ATOM   1281 C CA  . SER A 1 149 ? -19.211 -12.627 -7.287  1.00 14.94 ? 155 SER B CA  1 
ATOM   1282 C C   . SER A 1 149 ? -19.895 -13.479 -8.361  1.00 15.17 ? 155 SER B C   1 
ATOM   1283 O O   . SER A 1 149 ? -20.652 -12.937 -9.196  1.00 16.30 ? 155 SER B O   1 
ATOM   1284 C CB  . SER A 1 149 ? -20.049 -12.533 -6.058  1.00 15.95 ? 155 SER B CB  1 
ATOM   1285 O OG  . SER A 1 149 ? -21.231 -11.763 -6.232  1.00 17.06 ? 155 SER B OG  1 
ATOM   1286 N N   . LEU A 1 150 ? -19.666 -14.766 -8.338  1.00 14.21 ? 156 LEU B N   1 
ATOM   1287 C CA  . LEU A 1 150 ? -20.325 -15.672 -9.320  1.00 13.21 ? 156 LEU B CA  1 
ATOM   1288 C C   . LEU A 1 150 ? -21.818 -15.735 -9.078  1.00 12.65 ? 156 LEU B C   1 
ATOM   1289 O O   . LEU A 1 150 ? -22.310 -15.981 -7.954  1.00 13.64 ? 156 LEU B O   1 
ATOM   1290 C CB  . LEU A 1 150 ? -19.727 -17.080 -9.198  1.00 13.31 ? 156 LEU B CB  1 
ATOM   1291 C CG  . LEU A 1 150 ? -20.273 -18.154 -10.151 1.00 13.44 ? 156 LEU B CG  1 
ATOM   1292 C CD1 . LEU A 1 150 ? -19.904 -17.859 -11.585 1.00 13.99 ? 156 LEU B CD1 1 
ATOM   1293 C CD2 . LEU A 1 150 ? -19.710 -19.546 -9.735  1.00 13.84 ? 156 LEU B CD2 1 
ATOM   1294 N N   . ILE A 1 151 ? -22.578 -15.583 -10.177 1.00 11.53 ? 157 ILE B N   1 
ATOM   1295 C CA  . ILE A 1 151 ? -24.026 -15.815 -10.210 1.00 12.37 ? 157 ILE B CA  1 
ATOM   1296 C C   . ILE A 1 151 ? -24.352 -17.240 -10.674 1.00 11.21 ? 157 ILE B C   1 
ATOM   1297 O O   . ILE A 1 151 ? -25.191 -17.929 -10.069 1.00 12.02 ? 157 ILE B O   1 
ATOM   1298 C CB  . ILE A 1 151 ? -24.703 -14.741 -11.109 1.00 12.49 ? 157 ILE B CB  1 
ATOM   1299 C CG1 . ILE A 1 151 ? -24.537 -13.347 -10.533 1.00 13.35 ? 157 ILE B CG1 1 
ATOM   1300 C CG2 . ILE A 1 151 ? -26.165 -15.102 -11.332 1.00 12.50 ? 157 ILE B CG2 1 
ATOM   1301 C CD1 . ILE A 1 151 ? -24.979 -12.213 -11.486 1.00 14.43 ? 157 ILE B CD1 1 
ATOM   1302 N N   . TYR A 1 152 ? -23.782 -17.661 -11.812 1.00 11.76 ? 158 TYR B N   1 
ATOM   1303 C CA  . TYR A 1 152 ? -24.172 -18.958 -12.398 1.00 11.17 ? 158 TYR B CA  1 
ATOM   1304 C C   . TYR A 1 152 ? -23.138 -19.353 -13.453 1.00 10.80 ? 158 TYR B C   1 
ATOM   1305 O O   . TYR A 1 152 ? -22.660 -18.499 -14.207 1.00 11.09 ? 158 TYR B O   1 
ATOM   1306 C CB  . TYR A 1 152 ? -25.551 -18.916 -13.114 1.00 11.54 ? 158 TYR B CB  1 
ATOM   1307 C CG  . TYR A 1 152 ? -26.092 -20.272 -13.448 1.00 11.05 ? 158 TYR B CG  1 
ATOM   1308 C CD1 . TYR A 1 152 ? -26.696 -21.077 -12.483 1.00 12.09 ? 158 TYR B CD1 1 
ATOM   1309 C CD2 . TYR A 1 152 ? -25.942 -20.821 -14.712 1.00 11.27 ? 158 TYR B CD2 1 
ATOM   1310 C CE1 . TYR A 1 152 ? -27.124 -22.352 -12.769 1.00 12.86 ? 158 TYR B CE1 1 
ATOM   1311 C CE2 . TYR A 1 152 ? -26.403 -22.089 -15.010 1.00 11.95 ? 158 TYR B CE2 1 
ATOM   1312 C CZ  . TYR A 1 152 ? -26.971 -22.878 -14.038 1.00 12.66 ? 158 TYR B CZ  1 
ATOM   1313 O OH  . TYR A 1 152 ? -27.381 -24.152 -14.297 1.00 14.67 ? 158 TYR B OH  1 
ATOM   1314 N N   . THR A 1 153 ? -22.832 -20.654 -13.517 1.00 11.48 ? 159 THR B N   1 
ATOM   1315 C CA  . THR A 1 153 ? -21.999 -21.257 -14.588 1.00 11.85 ? 159 THR B CA  1 
ATOM   1316 C C   . THR A 1 153 ? -22.803 -22.357 -15.275 1.00 11.84 ? 159 THR B C   1 
ATOM   1317 O O   . THR A 1 153 ? -23.191 -23.358 -14.644 1.00 12.74 ? 159 THR B O   1 
ATOM   1318 C CB  . THR A 1 153 ? -20.671 -21.798 -14.041 1.00 12.78 ? 159 THR B CB  1 
ATOM   1319 O OG1 . THR A 1 153 ? -19.876 -20.695 -13.638 1.00 12.39 ? 159 THR B OG1 1 
ATOM   1320 C CG2 . THR A 1 153 ? -19.922 -22.645 -15.061 1.00 12.79 ? 159 THR B CG2 1 
ATOM   1321 N N   . PHE A 1 154 ? -23.016 -22.206 -16.588 1.00 11.81 ? 160 PHE B N   1 
ATOM   1322 C CA  . PHE A 1 154 ? -23.399 -23.324 -17.493 1.00 11.53 ? 160 PHE B CA  1 
ATOM   1323 C C   . PHE A 1 154 ? -22.112 -24.028 -17.944 1.00 11.24 ? 160 PHE B C   1 
ATOM   1324 O O   . PHE A 1 154 ? -21.223 -23.388 -18.530 1.00 11.46 ? 160 PHE B O   1 
ATOM   1325 C CB  . PHE A 1 154 ? -24.064 -22.829 -18.778 1.00 11.72 ? 160 PHE B CB  1 
ATOM   1326 C CG  . PHE A 1 154 ? -25.448 -22.239 -18.617 1.00 10.14 ? 160 PHE B CG  1 
ATOM   1327 C CD1 . PHE A 1 154 ? -25.612 -20.889 -18.357 1.00 10.49 ? 160 PHE B CD1 1 
ATOM   1328 C CD2 . PHE A 1 154 ? -26.599 -22.990 -18.826 1.00 10.83 ? 160 PHE B CD2 1 
ATOM   1329 C CE1 . PHE A 1 154 ? -26.873 -20.334 -18.274 1.00 10.68 ? 160 PHE B CE1 1 
ATOM   1330 C CE2 . PHE A 1 154 ? -27.865 -22.429 -18.725 1.00 11.66 ? 160 PHE B CE2 1 
ATOM   1331 C CZ  . PHE A 1 154 ? -27.989 -21.089 -18.465 1.00 10.61 ? 160 PHE B CZ  1 
ATOM   1332 N N   . SER A 1 155 ? -21.978 -25.297 -17.604 1.00 13.10 ? 161 SER B N   1 
ATOM   1333 C CA  . SER A 1 155 ? -20.850 -26.107 -18.068 1.00 14.15 ? 161 SER B CA  1 
ATOM   1334 C C   . SER A 1 155 ? -21.349 -27.240 -18.952 1.00 14.28 ? 161 SER B C   1 
ATOM   1335 O O   . SER A 1 155 ? -22.535 -27.524 -19.031 1.00 15.22 ? 161 SER B O   1 
ATOM   1336 C CB  . SER A 1 155 ? -20.021 -26.551 -16.902 1.00 16.82 ? 161 SER B CB  1 
ATOM   1337 O OG  . SER A 1 155 ? -20.668 -27.497 -16.126 1.00 19.46 ? 161 SER B OG  1 
ATOM   1338 N N   . GLU A 1 156 ? -20.387 -27.892 -19.621 1.00 15.81 ? 162 GLU B N   1 
ATOM   1339 C CA  . GLU A 1 156 ? -20.714 -28.967 -20.593 1.00 17.82 ? 162 GLU B CA  1 
ATOM   1340 C C   . GLU A 1 156 ? -21.685 -28.437 -21.648 1.00 16.77 ? 162 GLU B C   1 
ATOM   1341 O O   . GLU A 1 156 ? -22.631 -29.167 -22.082 1.00 17.25 ? 162 GLU B O   1 
ATOM   1342 C CB  . GLU A 1 156 ? -21.368 -30.181 -19.942 1.00 22.01 ? 162 GLU B CB  1 
ATOM   1343 C CG  . GLU A 1 156 ? -20.663 -30.692 -18.707 1.00 28.32 ? 162 GLU B CG  1 
ATOM   1344 C CD  . GLU A 1 156 ? -21.311 -31.979 -18.235 1.00 37.83 ? 162 GLU B CD  1 
ATOM   1345 O OE1 . GLU A 1 156 ? -22.326 -31.914 -17.502 1.00 42.28 ? 162 GLU B OE1 1 
ATOM   1346 O OE2 . GLU A 1 156 ? -20.872 -33.042 -18.711 1.00 43.24 ? 162 GLU B OE2 1 
ATOM   1347 N N   . CYS A 1 157 ? -21.483 -27.185 -22.057 1.00 15.74 ? 163 CYS B N   1 
ATOM   1348 C CA  . CYS A 1 157 ? -22.379 -26.578 -23.060 1.00 14.10 ? 163 CYS B CA  1 
ATOM   1349 C C   . CYS A 1 157 ? -22.130 -27.245 -24.430 1.00 14.78 ? 163 CYS B C   1 
ATOM   1350 O O   . CYS A 1 157 ? -20.946 -27.441 -24.797 1.00 16.85 ? 163 CYS B O   1 
ATOM   1351 C CB  . CYS A 1 157 ? -22.192 -25.072 -23.207 1.00 13.10 ? 163 CYS B CB  1 
ATOM   1352 S SG  . CYS A 1 157 ? -22.614 -24.136 -21.705 1.00 13.85 ? 163 CYS B SG  1 
ATOM   1353 N N   . VAL A 1 158 ? -23.190 -27.478 -25.178 1.00 13.55 ? 164 VAL B N   1 
ATOM   1354 C CA  . VAL A 1 158 ? -23.052 -28.001 -26.562 1.00 14.02 ? 164 VAL B CA  1 
ATOM   1355 C C   . VAL A 1 158 ? -23.502 -26.867 -27.483 1.00 13.05 ? 164 VAL B C   1 
ATOM   1356 O O   . VAL A 1 158 ? -24.662 -26.801 -27.868 1.00 15.26 ? 164 VAL B O   1 
ATOM   1357 C CB  . VAL A 1 158 ? -23.793 -29.344 -26.683 1.00 16.35 ? 164 VAL B CB  1 
ATOM   1358 C CG1 . VAL A 1 158 ? -23.643 -29.855 -28.124 1.00 17.88 ? 164 VAL B CG1 1 
ATOM   1359 C CG2 . VAL A 1 158 ? -23.229 -30.357 -25.693 1.00 17.58 ? 164 VAL B CG2 1 
ATOM   1360 N N   . PHE A 1 159 ? -22.590 -25.958 -27.823 1.00 12.54 ? 165 PHE B N   1 
ATOM   1361 C CA  . PHE A 1 159 ? -22.953 -24.731 -28.566 1.00 13.24 ? 165 PHE B CA  1 
ATOM   1362 C C   . PHE A 1 159 ? -23.527 -25.108 -29.933 1.00 14.73 ? 165 PHE B C   1 
ATOM   1363 O O   . PHE A 1 159 ? -24.509 -24.497 -30.389 1.00 15.00 ? 165 PHE B O   1 
ATOM   1364 C CB  . PHE A 1 159 ? -21.789 -23.759 -28.577 1.00 12.96 ? 165 PHE B CB  1 
ATOM   1365 C CG  . PHE A 1 159 ? -21.363 -23.261 -27.213 1.00 12.06 ? 165 PHE B CG  1 
ATOM   1366 C CD1 . PHE A 1 159 ? -22.290 -22.757 -26.311 1.00 12.35 ? 165 PHE B CD1 1 
ATOM   1367 C CD2 . PHE A 1 159 ? -20.030 -23.254 -26.849 1.00 13.18 ? 165 PHE B CD2 1 
ATOM   1368 C CE1 . PHE A 1 159 ? -21.872 -22.306 -25.059 1.00 13.31 ? 165 PHE B CE1 1 
ATOM   1369 C CE2 . PHE A 1 159 ? -19.613 -22.750 -25.631 1.00 13.93 ? 165 PHE B CE2 1 
ATOM   1370 C CZ  . PHE A 1 159 ? -20.539 -22.249 -24.745 1.00 13.01 ? 165 PHE B CZ  1 
ATOM   1371 N N   . ALA A 1 160 ? -22.834 -26.003 -30.637 1.00 14.40 ? 166 ALA B N   1 
ATOM   1372 C CA  . ALA A 1 160 ? -23.305 -26.572 -31.926 1.00 13.96 ? 166 ALA B CA  1 
ATOM   1373 C C   . ALA A 1 160 ? -23.449 -25.503 -33.017 1.00 14.08 ? 166 ALA B C   1 
ATOM   1374 O O   . ALA A 1 160 ? -24.264 -25.713 -33.954 1.00 15.18 ? 166 ALA B O   1 
ATOM   1375 C CB  . ALA A 1 160 ? -24.535 -27.381 -31.767 1.00 15.17 ? 166 ALA B CB  1 
ATOM   1376 N N   . GLY A 1 161 ? -22.685 -24.441 -32.944 1.00 13.97 ? 167 GLY B N   1 
ATOM   1377 C CA  . GLY A 1 161 ? -22.730 -23.330 -33.911 1.00 15.08 ? 167 GLY B CA  1 
ATOM   1378 C C   . GLY A 1 161 ? -22.020 -22.089 -33.415 1.00 14.08 ? 167 GLY B C   1 
ATOM   1379 O O   . GLY A 1 161 ? -21.583 -22.033 -32.244 1.00 13.91 ? 167 GLY B O   1 
ATOM   1380 N N   . PRO A 1 162 ? -21.907 -21.045 -34.242 1.00 13.44 ? 168 PRO B N   1 
ATOM   1381 C CA  . PRO A 1 162 ? -21.387 -19.751 -33.816 1.00 12.73 ? 168 PRO B CA  1 
ATOM   1382 C C   . PRO A 1 162 ? -22.353 -19.186 -32.758 1.00 12.88 ? 168 PRO B C   1 
ATOM   1383 O O   . PRO A 1 162 ? -23.554 -19.470 -32.803 1.00 13.56 ? 168 PRO B O   1 
ATOM   1384 C CB  . PRO A 1 162 ? -21.392 -18.865 -35.068 1.00 13.35 ? 168 PRO B CB  1 
ATOM   1385 C CG  . PRO A 1 162 ? -21.522 -19.887 -36.207 1.00 13.20 ? 168 PRO B CG  1 
ATOM   1386 C CD  . PRO A 1 162 ? -22.295 -21.034 -35.664 1.00 12.89 ? 168 PRO B CD  1 
ATOM   1387 N N   . LEU A 1 163 ? -21.788 -18.475 -31.802 1.00 12.96 ? 169 LEU B N   1 
ATOM   1388 C CA  . LEU A 1 163 ? -22.573 -17.799 -30.736 1.00 11.85 ? 169 LEU B CA  1 
ATOM   1389 C C   . LEU A 1 163 ? -22.689 -16.310 -31.021 1.00 13.13 ? 169 LEU B C   1 
ATOM   1390 O O   . LEU A 1 163 ? -21.723 -15.663 -31.469 1.00 13.44 ? 169 LEU B O   1 
ATOM   1391 C CB  . LEU A 1 163 ? -21.898 -18.017 -29.381 1.00 12.80 ? 169 LEU B CB  1 
ATOM   1392 C CG  . LEU A 1 163 ? -21.885 -19.441 -28.836 1.00 13.15 ? 169 LEU B CG  1 
ATOM   1393 C CD1 . LEU A 1 163 ? -21.061 -19.496 -27.574 1.00 13.90 ? 169 LEU B CD1 1 
ATOM   1394 C CD2 . LEU A 1 163 ? -23.295 -19.962 -28.584 1.00 13.89 ? 169 LEU B CD2 1 
ATOM   1395 N N   . ARG A 1 164 ? -23.803 -15.737 -30.598 1.00 12.52 ? 170 ARG B N   1 
ATOM   1396 C CA  . ARG A 1 164 ? -24.033 -14.287 -30.589 1.00 11.88 ? 170 ARG B CA  1 
ATOM   1397 C C   . ARG A 1 164 ? -24.446 -13.808 -29.200 1.00 10.89 ? 170 ARG B C   1 
ATOM   1398 O O   . ARG A 1 164 ? -25.213 -14.499 -28.514 1.00 11.24 ? 170 ARG B O   1 
ATOM   1399 C CB  . ARG A 1 164 ? -25.090 -13.937 -31.623 1.00 13.04 ? 170 ARG B CB  1 
ATOM   1400 C CG  . ARG A 1 164 ? -24.597 -14.334 -33.019 1.00 14.63 ? 170 ARG B CG  1 
ATOM   1401 C CD  . ARG A 1 164 ? -25.484 -13.919 -34.156 1.00 17.49 ? 170 ARG B CD  1 
ATOM   1402 N NE  . ARG A 1 164 ? -25.575 -12.485 -34.267 1.00 16.43 ? 170 ARG B NE  1 
ATOM   1403 C CZ  . ARG A 1 164 ? -26.290 -11.855 -35.191 1.00 16.43 ? 170 ARG B CZ  1 
ATOM   1404 N NH1 . ARG A 1 164 ? -26.951 -12.544 -36.103 1.00 16.93 ? 170 ARG B NH1 1 
ATOM   1405 N NH2 . ARG A 1 164 ? -26.333 -10.548 -35.187 1.00 15.81 ? 170 ARG B NH2 1 
ATOM   1406 N N   . PRO A 1 165 ? -23.995 -12.615 -28.795 1.00 10.81 ? 171 PRO B N   1 
ATOM   1407 C CA  . PRO A 1 165 ? -24.525 -12.008 -27.569 1.00 10.90 ? 171 PRO B CA  1 
ATOM   1408 C C   . PRO A 1 165 ? -26.049 -11.861 -27.710 1.00 10.55 ? 171 PRO B C   1 
ATOM   1409 O O   . PRO A 1 165 ? -26.572 -11.528 -28.768 1.00 11.40 ? 171 PRO B O   1 
ATOM   1410 C CB  . PRO A 1 165 ? -23.812 -10.667 -27.454 1.00 11.63 ? 171 PRO B CB  1 
ATOM   1411 C CG  . PRO A 1 165 ? -22.564 -10.805 -28.322 1.00 13.20 ? 171 PRO B CG  1 
ATOM   1412 C CD  . PRO A 1 165 ? -22.969 -11.761 -29.417 1.00 12.42 ? 171 PRO B CD  1 
ATOM   1413 N N   . PHE A 1 166 ? -26.782 -12.098 -26.612 1.00 10.19 ? 172 PHE B N   1 
ATOM   1414 C CA  . PHE A 1 166 ? -28.255 -12.154 -26.604 1.00 11.02 ? 172 PHE B CA  1 
ATOM   1415 C C   . PHE A 1 166 ? -28.803 -11.216 -25.522 1.00 10.11 ? 172 PHE B C   1 
ATOM   1416 O O   . PHE A 1 166 ? -28.257 -11.173 -24.402 1.00 10.29 ? 172 PHE B O   1 
ATOM   1417 C CB  . PHE A 1 166 ? -28.733 -13.570 -26.345 1.00 11.09 ? 172 PHE B CB  1 
ATOM   1418 C CG  . PHE A 1 166 ? -30.226 -13.667 -26.158 1.00 11.05 ? 172 PHE B CG  1 
ATOM   1419 C CD1 . PHE A 1 166 ? -31.080 -13.660 -27.248 1.00 12.16 ? 172 PHE B CD1 1 
ATOM   1420 C CD2 . PHE A 1 166 ? -30.798 -13.672 -24.891 1.00 11.71 ? 172 PHE B CD2 1 
ATOM   1421 C CE1 . PHE A 1 166 ? -32.453 -13.748 -27.068 1.00 12.34 ? 172 PHE B CE1 1 
ATOM   1422 C CE2 . PHE A 1 166 ? -32.178 -13.729 -24.712 1.00 11.86 ? 172 PHE B CE2 1 
ATOM   1423 C CZ  . PHE A 1 166 ? -33.002 -13.756 -25.812 1.00 12.33 ? 172 PHE B CZ  1 
ATOM   1424 N N   . PHE A 1 167 ? -29.837 -10.441 -25.861 1.00 10.07 ? 173 PHE B N   1 
ATOM   1425 C CA  . PHE A 1 167 ? -30.433 -9.418  -24.969 1.00 10.47 ? 173 PHE B CA  1 
ATOM   1426 C C   . PHE A 1 167 ? -31.945 -9.495  -25.061 1.00 11.25 ? 173 PHE B C   1 
ATOM   1427 O O   . PHE A 1 167 ? -32.483 -9.578  -26.182 1.00 11.09 ? 173 PHE B O   1 
ATOM   1428 C CB  . PHE A 1 167 ? -29.972 -8.004  -25.338 1.00 11.38 ? 173 PHE B CB  1 
ATOM   1429 C CG  . PHE A 1 167 ? -28.477 -7.873  -25.481 1.00 10.70 ? 173 PHE B CG  1 
ATOM   1430 C CD1 . PHE A 1 167 ? -27.830 -8.212  -26.652 1.00 10.77 ? 173 PHE B CD1 1 
ATOM   1431 C CD2 . PHE A 1 167 ? -27.700 -7.394  -24.444 1.00 11.87 ? 173 PHE B CD2 1 
ATOM   1432 C CE1 . PHE A 1 167 ? -26.450 -8.120  -26.778 1.00 11.36 ? 173 PHE B CE1 1 
ATOM   1433 C CE2 . PHE A 1 167 ? -26.334 -7.256  -24.585 1.00 11.97 ? 173 PHE B CE2 1 
ATOM   1434 C CZ  . PHE A 1 167 ? -25.709 -7.638  -25.749 1.00 12.54 ? 173 PHE B CZ  1 
ATOM   1435 N N   . ASN A 1 168 ? -32.623 -9.293  -23.936 1.00 11.80 ? 174 ASN B N   1 
ATOM   1436 C CA  . ASN A 1 168 ? -34.080 -9.034  -23.897 1.00 11.30 ? 174 ASN B CA  1 
ATOM   1437 C C   . ASN A 1 168 ? -34.300 -7.877  -22.923 1.00 11.04 ? 174 ASN B C   1 
ATOM   1438 O O   . ASN A 1 168 ? -33.960 -8.029  -21.752 1.00 11.84 ? 174 ASN B O   1 
ATOM   1439 C CB  . ASN A 1 168 ? -34.866 -10.291 -23.483 1.00 12.13 ? 174 ASN B CB  1 
ATOM   1440 C CG  . ASN A 1 168 ? -36.364 -10.138 -23.562 1.00 14.21 ? 174 ASN B CG  1 
ATOM   1441 O OD1 . ASN A 1 168 ? -36.884 -9.057  -23.843 1.00 14.33 ? 174 ASN B OD1 1 
ATOM   1442 N ND2 . ASN A 1 168 ? -37.081 -11.225 -23.297 1.00 14.99 ? 174 ASN B ND2 1 
ATOM   1443 N N   . VAL A 1 169 ? -34.850 -6.754  -23.404 1.00 10.87 ? 175 VAL B N   1 
ATOM   1444 C CA  . VAL A 1 169 ? -35.106 -5.592  -22.506 1.00 11.25 ? 175 VAL B CA  1 
ATOM   1445 C C   . VAL A 1 169 ? -36.318 -5.868  -21.604 1.00 12.57 ? 175 VAL B C   1 
ATOM   1446 O O   . VAL A 1 169 ? -36.561 -5.037  -20.691 1.00 13.03 ? 175 VAL B O   1 
ATOM   1447 C CB  . VAL A 1 169 ? -35.257 -4.266  -23.276 1.00 12.46 ? 175 VAL B CB  1 
ATOM   1448 C CG1 . VAL A 1 169 ? -33.983 -3.932  -24.019 1.00 12.50 ? 175 VAL B CG1 1 
ATOM   1449 C CG2 . VAL A 1 169 ? -36.459 -4.246  -24.216 1.00 12.01 ? 175 VAL B CG2 1 
ATOM   1450 N N   . GLY A 1 170 ? -37.100 -6.880  -21.955 1.00 12.72 ? 176 GLY B N   1 
ATOM   1451 C CA  . GLY A 1 170 ? -38.342 -7.185  -21.216 1.00 14.88 ? 176 GLY B CA  1 
ATOM   1452 C C   . GLY A 1 170 ? -39.501 -6.291  -21.601 1.00 14.76 ? 176 GLY B C   1 
ATOM   1453 O O   . GLY A 1 170 ? -39.333 -5.232  -22.197 1.00 14.32 ? 176 GLY B O   1 
ATOM   1454 N N   . PHE A 1 171 ? -40.687 -6.744  -21.189 0.57 15.56 ? 177 PHE B N   1 
ATOM   1455 C CA  . PHE A 1 171 ? -41.979 -6.055  -21.395 0.57 15.43 ? 177 PHE B CA  1 
ATOM   1456 C C   . PHE A 1 171 ? -42.031 -4.833  -20.474 0.57 14.69 ? 177 PHE B C   1 
ATOM   1457 O O   . PHE A 1 171 ? -41.240 -4.755  -19.521 0.57 13.51 ? 177 PHE B O   1 
ATOM   1458 C CB  . PHE A 1 171 ? -43.121 -7.048  -21.148 0.57 16.17 ? 177 PHE B CB  1 
ATOM   1459 C CG  . PHE A 1 171 ? -43.265 -8.143  -22.176 0.57 17.02 ? 177 PHE B CG  1 
ATOM   1460 C CD1 . PHE A 1 171 ? -43.520 -7.836  -23.498 0.57 18.05 ? 177 PHE B CD1 1 
ATOM   1461 C CD2 . PHE A 1 171 ? -43.198 -9.483  -21.822 0.57 18.76 ? 177 PHE B CD2 1 
ATOM   1462 C CE1 . PHE A 1 171 ? -43.688 -8.835  -24.443 0.57 17.92 ? 177 PHE B CE1 1 
ATOM   1463 C CE2 . PHE A 1 171 ? -43.357 -10.481 -22.776 0.57 19.02 ? 177 PHE B CE2 1 
ATOM   1464 C CZ  . PHE A 1 171 ? -43.598 -10.151 -24.085 0.57 18.39 ? 177 PHE B CZ  1 
ATOM   1465 N N   . ASN A 1 172 ? -42.917 -3.887  -20.769 1.00 14.64 ? 178 ASN B N   1 
ATOM   1466 C CA  . ASN A 1 172 ? -43.100 -2.722  -19.875 1.00 13.26 ? 178 ASN B CA  1 
ATOM   1467 C C   . ASN A 1 172 ? -44.602 -2.541  -19.632 1.00 13.77 ? 178 ASN B C   1 
ATOM   1468 O O   . ASN A 1 172 ? -45.097 -1.375  -19.708 1.00 15.79 ? 178 ASN B O   1 
ATOM   1469 C CB  . ASN A 1 172 ? -42.441 -1.474  -20.447 1.00 13.95 ? 178 ASN B CB  1 
ATOM   1470 C CG  . ASN A 1 172 ? -42.426 -0.346  -19.450 1.00 14.02 ? 178 ASN B CG  1 
ATOM   1471 O OD1 . ASN A 1 172 ? -42.357 -0.569  -18.248 1.00 13.97 ? 178 ASN B OD1 1 
ATOM   1472 N ND2 . ASN A 1 172 ? -42.470 0.880   -19.931 1.00 15.53 ? 178 ASN B ND2 1 
ATOM   1473 N N   . TYR A 1 173 ? -45.322 -3.613  -19.342 1.00 14.99 ? 179 TYR B N   1 
ATOM   1474 C CA  . TYR A 1 173 ? -46.747 -3.507  -18.929 1.00 14.40 ? 179 TYR B CA  1 
ATOM   1475 C C   . TYR A 1 173 ? -46.881 -2.650  -17.666 1.00 15.49 ? 179 TYR B C   1 
ATOM   1476 O O   . TYR A 1 173 ? -47.939 -1.983  -17.504 1.00 16.30 ? 179 TYR B O   1 
ATOM   1477 C CB  . TYR A 1 173 ? -47.346 -4.902  -18.696 1.00 15.32 ? 179 TYR B CB  1 
ATOM   1478 C CG  . TYR A 1 173 ? -47.470 -5.782  -19.916 1.00 15.74 ? 179 TYR B CG  1 
ATOM   1479 C CD1 . TYR A 1 173 ? -48.502 -5.601  -20.830 1.00 17.29 ? 179 TYR B CD1 1 
ATOM   1480 C CD2 . TYR A 1 173 ? -46.599 -6.849  -20.106 1.00 16.79 ? 179 TYR B CD2 1 
ATOM   1481 C CE1 . TYR A 1 173 ? -48.610 -6.388  -21.969 1.00 19.09 ? 179 TYR B CE1 1 
ATOM   1482 C CE2 . TYR A 1 173 ? -46.698 -7.637  -21.249 1.00 18.85 ? 179 TYR B CE2 1 
ATOM   1483 C CZ  . TYR A 1 173 ? -47.710 -7.422  -22.160 1.00 19.00 ? 179 TYR B CZ  1 
ATOM   1484 O OH  . TYR A 1 173 ? -47.825 -8.221  -23.287 1.00 23.80 ? 179 TYR B OH  1 
ATOM   1485 N N   . SER A 1 174 ? -45.916 -2.664  -16.751 1.00 13.52 ? 180 SER B N   1 
ATOM   1486 C CA  . SER A 1 174 ? -45.995 -2.049  -15.408 1.00 14.94 ? 180 SER B CA  1 
ATOM   1487 C C   . SER A 1 174 ? -45.681 -0.549  -15.462 1.00 14.76 ? 180 SER B C   1 
ATOM   1488 O O   . SER A 1 174 ? -45.901 0.128   -14.433 1.00 15.60 ? 180 SER B O   1 
ATOM   1489 C CB  . SER A 1 174 ? -45.033 -2.682  -14.438 1.00 15.00 ? 180 SER B CB  1 
ATOM   1490 O OG  . SER A 1 174 ? -43.694 -2.425  -14.878 1.00 15.63 ? 180 SER B OG  1 
ATOM   1491 N N   . GLY A 1 175 ? -45.046 -0.062  -16.530 1.00 13.58 ? 181 GLY B N   1 
ATOM   1492 C CA  . GLY A 1 175 ? -44.480 1.297   -16.527 1.00 13.81 ? 181 GLY B CA  1 
ATOM   1493 C C   . GLY A 1 175 ? -43.248 1.459   -15.688 1.00 14.72 ? 181 GLY B C   1 
ATOM   1494 O O   . GLY A 1 175 ? -42.748 2.593   -15.579 1.00 17.58 ? 181 GLY B O   1 
ATOM   1495 N N   . GLY A 1 176 ? -42.712 0.363   -15.142 1.00 13.94 ? 182 GLY B N   1 
ATOM   1496 C CA  . GLY A 1 176 ? -41.518 0.452   -14.303 1.00 14.04 ? 182 GLY B CA  1 
ATOM   1497 C C   . GLY A 1 176 ? -40.298 -0.204  -14.965 1.00 14.88 ? 182 GLY B C   1 
ATOM   1498 O O   . GLY A 1 176 ? -39.251 -0.251  -14.302 1.00 15.81 ? 182 GLY B O   1 
ATOM   1499 N N   . ASN A 1 177 ? -40.422 -0.611  -16.220 1.00 12.60 ? 183 ASN B N   1 
ATOM   1500 C CA  . ASN A 1 177 ? -39.322 -1.327  -16.908 1.00 12.69 ? 183 ASN B CA  1 
ATOM   1501 C C   . ASN A 1 177 ? -38.860 -0.641  -18.206 1.00 12.87 ? 183 ASN B C   1 
ATOM   1502 O O   . ASN A 1 177 ? -38.306 -1.313  -19.067 1.00 13.40 ? 183 ASN B O   1 
ATOM   1503 C CB  . ASN A 1 177 ? -39.688 -2.774  -17.202 1.00 13.80 ? 183 ASN B CB  1 
ATOM   1504 C CG  . ASN A 1 177 ? -38.463 -3.629  -17.476 1.00 12.75 ? 183 ASN B CG  1 
ATOM   1505 O OD1 . ASN A 1 177 ? -37.421 -3.402  -16.853 1.00 13.34 ? 183 ASN B OD1 1 
ATOM   1506 N ND2 . ASN A 1 177 ? -38.623 -4.578  -18.365 1.00 12.85 ? 183 ASN B ND2 1 
ATOM   1507 N N   . ALA A 1 178 ? -38.993 0.664   -18.329 1.00 13.47 ? 184 ALA B N   1 
ATOM   1508 C CA  . ALA A 1 178 ? -38.595 1.373   -19.574 1.00 13.73 ? 184 ALA B CA  1 
ATOM   1509 C C   . ALA A 1 178 ? -37.083 1.535   -19.714 1.00 14.24 ? 184 ALA B C   1 
ATOM   1510 O O   . ALA A 1 178 ? -36.655 1.839   -20.858 1.00 15.62 ? 184 ALA B O   1 
ATOM   1511 C CB  . ALA A 1 178 ? -39.252 2.762   -19.561 1.00 14.09 ? 184 ALA B CB  1 
ATOM   1512 N N   . ALA A 1 179 ? -36.314 1.409   -18.635 1.00 14.23 ? 185 ALA B N   1 
ATOM   1513 C CA  . ALA A 1 179 ? -34.869 1.736   -18.683 1.00 13.03 ? 185 ALA B CA  1 
ATOM   1514 C C   . ALA A 1 179 ? -34.186 0.841   -19.715 1.00 13.65 ? 185 ALA B C   1 
ATOM   1515 O O   . ALA A 1 179 ? -34.582 -0.301  -19.945 1.00 13.75 ? 185 ALA B O   1 
ATOM   1516 C CB  . ALA A 1 179 ? -34.236 1.620   -17.328 1.00 13.23 ? 185 ALA B CB  1 
ATOM   1517 N N   . PRO A 1 180 ? -33.080 1.334   -20.307 1.00 13.51 ? 186 PRO B N   1 
ATOM   1518 C CA  . PRO A 1 180 ? -32.348 0.557   -21.302 1.00 12.69 ? 186 PRO B CA  1 
ATOM   1519 C C   . PRO A 1 180 ? -31.437 -0.528  -20.703 1.00 11.86 ? 186 PRO B C   1 
ATOM   1520 O O   . PRO A 1 180 ? -31.065 -0.463  -19.525 1.00 13.93 ? 186 PRO B O   1 
ATOM   1521 C CB  . PRO A 1 180 ? -31.466 1.636   -21.966 1.00 13.83 ? 186 PRO B CB  1 
ATOM   1522 C CG  . PRO A 1 180 ? -31.227 2.649   -20.883 1.00 16.83 ? 186 PRO B CG  1 
ATOM   1523 C CD  . PRO A 1 180 ? -32.558 2.697   -20.144 1.00 16.13 ? 186 PRO B CD  1 
ATOM   1524 N N   . LEU A 1 181 ? -31.055 -1.485  -21.560 1.00 12.81 ? 187 LEU B N   1 
ATOM   1525 C CA  . LEU A 1 181 ? -29.825 -2.271  -21.368 1.00 12.33 ? 187 LEU B CA  1 
ATOM   1526 C C   . LEU A 1 181 ? -28.686 -1.471  -22.018 1.00 12.43 ? 187 LEU B C   1 
ATOM   1527 O O   . LEU A 1 181 ? -28.873 -0.982  -23.174 1.00 14.69 ? 187 LEU B O   1 
ATOM   1528 C CB  . LEU A 1 181 ? -29.999 -3.629  -22.015 1.00 12.69 ? 187 LEU B CB  1 
ATOM   1529 C CG  . LEU A 1 181 ? -31.023 -4.585  -21.394 1.00 13.38 ? 187 LEU B CG  1 
ATOM   1530 C CD1 . LEU A 1 181 ? -31.109 -5.873  -22.202 1.00 14.26 ? 187 LEU B CD1 1 
ATOM   1531 C CD2 . LEU A 1 181 ? -30.652 -4.920  -19.944 1.00 14.89 ? 187 LEU B CD2 1 
ATOM   1532 N N   . LYS A 1 182 ? -27.546 -1.343  -21.343 1.00 12.51 ? 188 LYS B N   1 
ATOM   1533 C CA  . LYS A 1 182 ? -26.360 -0.621  -21.882 1.00 13.57 ? 188 LYS B CA  1 
ATOM   1534 C C   . LYS A 1 182 ? -25.141 -1.521  -21.847 1.00 13.52 ? 188 LYS B C   1 
ATOM   1535 O O   . LYS A 1 182 ? -24.792 -2.036  -20.748 1.00 14.17 ? 188 LYS B O   1 
ATOM   1536 C CB  . LYS A 1 182 ? -26.075 0.663   -21.100 1.00 15.73 ? 188 LYS B CB  1 
ATOM   1537 C CG  . LYS A 1 182 ? -27.247 1.592   -20.910 1.00 19.45 ? 188 LYS B CG  1 
ATOM   1538 C CD  . LYS A 1 182 ? -26.854 2.892   -20.250 1.00 24.30 ? 188 LYS B CD  1 
ATOM   1539 C CE  . LYS A 1 182 ? -28.027 3.768   -19.858 1.00 29.03 ? 188 LYS B CE  1 
ATOM   1540 N NZ  . LYS A 1 182 ? -27.561 4.856   -18.961 1.00 33.95 ? 188 LYS B NZ  1 
ATOM   1541 N N   . LEU A 1 183 ? -24.399 -1.579  -22.934 1.00 15.03 ? 189 LEU B N   1 
ATOM   1542 C CA  . LEU A 1 183 ? -23.063 -2.239  -22.936 1.00 14.89 ? 189 LEU B CA  1 
ATOM   1543 C C   . LEU A 1 183 ? -22.062 -1.273  -22.294 1.00 16.63 ? 189 LEU B C   1 
ATOM   1544 O O   . LEU A 1 183 ? -21.939 -0.127  -22.794 1.00 19.43 ? 189 LEU B O   1 
ATOM   1545 C CB  . LEU A 1 183 ? -22.717 -2.628  -24.375 1.00 15.52 ? 189 LEU B CB  1 
ATOM   1546 C CG  . LEU A 1 183 ? -23.458 -3.888  -24.841 1.00 16.24 ? 189 LEU B CG  1 
ATOM   1547 C CD1 . LEU A 1 183 ? -23.625 -3.980  -26.350 1.00 21.58 ? 189 LEU B CD1 1 
ATOM   1548 C CD2 . LEU A 1 183 ? -22.804 -5.149  -24.243 1.00 14.25 ? 189 LEU B CD2 1 
ATOM   1549 N N   . CYS A 1 184 ? -21.445 -1.697  -21.187 1.00 17.50 ? 190 CYS B N   1 
ATOM   1550 C CA  . CYS A 1 184 ? -20.534 -0.843  -20.355 1.00 19.88 ? 190 CYS B CA  1 
ATOM   1551 C C   . CYS A 1 184 ? -19.172 -0.761  -21.016 1.00 22.72 ? 190 CYS B C   1 
ATOM   1552 O O   . CYS A 1 184 ? -18.678 -1.719  -21.573 1.00 22.13 ? 190 CYS B O   1 
ATOM   1553 C CB  . CYS A 1 184 ? -20.236 -1.410  -18.981 1.00 21.22 ? 190 CYS B CB  1 
ATOM   1554 S SG  . CYS A 1 184 ? -21.665 -2.024  -18.098 1.00 23.07 ? 190 CYS B SG  1 
ATOM   1555 N N   . PRO A 1 185 ? -18.485 0.390   -20.906 1.00 27.82 ? 191 PRO B N   1 
ATOM   1556 C CA  . PRO A 1 185 ? -17.164 0.528   -21.494 1.00 32.02 ? 191 PRO B CA  1 
ATOM   1557 C C   . PRO A 1 185 ? -16.172 -0.400  -20.782 1.00 31.54 ? 191 PRO B C   1 
ATOM   1558 O O   . PRO A 1 185 ? -16.356 -0.685  -19.593 1.00 32.01 ? 191 PRO B O   1 
ATOM   1559 C CB  . PRO A 1 185 ? -16.877 2.032   -21.317 1.00 31.12 ? 191 PRO B CB  1 
ATOM   1560 C CG  . PRO A 1 185 ? -17.699 2.428   -20.123 1.00 31.60 ? 191 PRO B CG  1 
ATOM   1561 C CD  . PRO A 1 185 ? -18.969 1.617   -20.249 1.00 28.92 ? 191 PRO B CD  1 
ATOM   1562 N N   . LEU A 1 186 ? -15.209 -0.870  -21.575 1.00 37.43 ? 192 LEU B N   1 
ATOM   1563 C CA  . LEU A 1 186 ? -13.944 -1.563  -21.215 1.00 41.04 ? 192 LEU B CA  1 
ATOM   1564 C C   . LEU A 1 186 ? -13.150 -0.732  -20.200 1.00 45.73 ? 192 LEU B C   1 
ATOM   1565 O O   . LEU A 1 186 ? -12.365 -1.318  -19.435 1.00 50.81 ? 192 LEU B O   1 
ATOM   1566 C CB  . LEU A 1 186 ? -13.143 -1.734  -22.511 1.00 39.01 ? 192 LEU B CB  1 
HETATM 1567 N N1  . O3D B 2 .   ? -45.992 -4.463  -26.389 0.57 17.72 ? 201 O3D B N1  1 
HETATM 1568 C C4  . O3D B 2 .   ? -44.747 -5.917  -28.022 0.57 19.87 ? 201 O3D B C4  1 
HETATM 1569 C C5  . O3D B 2 .   ? -43.584 -5.583  -28.611 0.57 21.03 ? 201 O3D B C5  1 
HETATM 1570 C C6  . O3D B 2 .   ? -42.762 -6.748  -28.630 0.57 21.98 ? 201 O3D B C6  1 
HETATM 1571 C C7  . O3D B 2 .   ? -43.496 -7.737  -28.039 0.57 21.87 ? 201 O3D B C7  1 
HETATM 1572 C C8  . O3D B 2 .   ? -46.120 -5.384  -25.248 0.57 17.69 ? 201 O3D B C8  1 
HETATM 1573 C C1  . O3D B 2 .   ? -44.982 -2.630  -25.115 0.57 16.73 ? 201 O3D B C1  1 
HETATM 1574 C C2  . O3D B 2 .   ? -44.796 -3.637  -26.219 0.57 17.11 ? 201 O3D B C2  1 
HETATM 1575 C C3  . O3D B 2 .   ? -45.978 -5.150  -27.690 0.57 19.97 ? 201 O3D B C3  1 
HETATM 1576 C C9  . O3D B 2 .   ? -46.494 -4.624  -23.980 0.57 17.66 ? 201 O3D B C9  1 
HETATM 1577 O O1  . O3D B 2 .   ? -44.035 -4.238  -23.237 0.57 15.59 ? 201 O3D B O1  1 
HETATM 1578 O O2  . O3D B 2 .   ? -45.663 -2.534  -22.584 0.57 18.95 ? 201 O3D B O2  1 
HETATM 1579 O O3  . O3D B 2 .   ? -44.725 -7.235  -27.675 0.57 22.34 ? 201 O3D B O3  1 
HETATM 1580 S S1  . O3D B 2 .   ? -45.214 -3.475  -23.569 0.57 16.23 ? 201 O3D B S1  1 
HETATM 1581 C C1  . EDO C 3 .   ? -50.346 -17.027 -33.372 1.00 40.11 ? 202 EDO B C1  1 
HETATM 1582 O O1  . EDO C 3 .   ? -49.117 -16.356 -33.307 1.00 33.92 ? 202 EDO B O1  1 
HETATM 1583 C C2  . EDO C 3 .   ? -51.011 -17.005 -32.066 1.00 39.59 ? 202 EDO B C2  1 
HETATM 1584 O O2  . EDO C 3 .   ? -51.291 -15.680 -31.706 1.00 46.28 ? 202 EDO B O2  1 
HETATM 1585 S S   . SO4 D 4 .   ? -40.445 -24.665 -26.171 1.00 40.28 ? 203 SO4 B S   1 
HETATM 1586 O O1  . SO4 D 4 .   ? -39.738 -23.711 -26.984 1.00 25.29 ? 203 SO4 B O1  1 
HETATM 1587 O O2  . SO4 D 4 .   ? -41.356 -25.395 -26.993 1.00 43.34 ? 203 SO4 B O2  1 
HETATM 1588 O O3  . SO4 D 4 .   ? -39.482 -25.594 -25.593 1.00 44.90 ? 203 SO4 B O3  1 
HETATM 1589 O O4  . SO4 D 4 .   ? -41.165 -24.007 -25.099 1.00 41.88 ? 203 SO4 B O4  1 
HETATM 1590 O O   . HOH E 5 .   ? -22.603 -1.750  -9.946  1.00 26.81 ? 301 HOH B O   1 
HETATM 1591 O O   . HOH E 5 .   ? -26.884 -28.517 -27.858 1.00 21.72 ? 302 HOH B O   1 
HETATM 1592 O O   . HOH E 5 .   ? -36.201 5.381   -15.893 1.00 26.38 ? 303 HOH B O   1 
HETATM 1593 O O   . HOH E 5 .   ? -40.124 -1.203  -9.874  1.00 32.33 ? 304 HOH B O   1 
HETATM 1594 O O   . HOH E 5 .   ? -46.341 3.843   -34.472 1.00 34.48 ? 305 HOH B O   1 
HETATM 1595 O O   . HOH E 5 .   ? -38.834 -15.350 -11.853 1.00 31.51 ? 306 HOH B O   1 
HETATM 1596 O O   . HOH E 5 .   ? -38.255 0.643   -12.218 1.00 36.28 ? 307 HOH B O   1 
HETATM 1597 O O   . HOH E 5 .   ? -37.906 3.840   -41.549 1.00 36.08 ? 308 HOH B O   1 
HETATM 1598 O O   . HOH E 5 .   ? -44.895 0.406   -12.134 1.00 43.46 ? 309 HOH B O   1 
HETATM 1599 O O   . HOH E 5 .   ? -18.734 -22.008 -35.807 1.00 17.42 ? 310 HOH B O   1 
HETATM 1600 O O   . HOH E 5 .   ? -32.986 0.972   -33.719 1.00 19.24 ? 311 HOH B O   1 
HETATM 1601 O O   . HOH E 5 .   ? -15.643 -5.363  -13.746 1.00 33.02 ? 312 HOH B O   1 
HETATM 1602 O O   . HOH E 5 .   ? -13.508 -23.608 -31.615 1.00 16.70 ? 313 HOH B O   1 
HETATM 1603 O O   . HOH E 5 .   ? -21.158 -6.069  -2.053  1.00 38.34 ? 314 HOH B O   1 
HETATM 1604 O O   . HOH E 5 .   ? -26.468 3.412   -35.384 1.00 30.22 ? 315 HOH B O   1 
HETATM 1605 O O   . HOH E 5 .   ? -29.739 -12.686 -37.743 1.00 24.55 ? 316 HOH B O   1 
HETATM 1606 O O   . HOH E 5 .   ? -36.693 -26.081 -23.807 1.00 35.29 ? 317 HOH B O   1 
HETATM 1607 O O   . HOH E 5 .   ? -24.473 -31.033 -21.977 1.00 33.15 ? 318 HOH B O   1 
HETATM 1608 O O   . HOH E 5 .   ? -26.628 1.959   -11.237 1.00 32.66 ? 319 HOH B O   1 
HETATM 1609 O O   . HOH E 5 .   ? -35.885 -22.484 -19.563 1.00 24.97 ? 320 HOH B O   1 
HETATM 1610 O O   . HOH E 5 .   ? -37.873 -14.479 -21.408 1.00 32.92 ? 321 HOH B O   1 
HETATM 1611 O O   . HOH E 5 .   ? -19.385 -29.725 -15.532 1.00 28.70 ? 322 HOH B O   1 
HETATM 1612 O O   . HOH E 5 .   ? -9.565  -18.653 -30.217 1.00 47.34 ? 323 HOH B O   1 
HETATM 1613 O O   . HOH E 5 .   ? -16.168 -19.647 -15.729 1.00 25.30 ? 324 HOH B O   1 
HETATM 1614 O O   . HOH E 5 .   ? -45.287 7.334   -24.834 1.00 45.88 ? 325 HOH B O   1 
HETATM 1615 O O   . HOH E 5 .   ? -17.562 -21.240 -12.434 1.00 17.15 ? 326 HOH B O   1 
HETATM 1616 O O   . HOH E 5 .   ? -26.019 -22.720 -35.863 1.00 25.80 ? 327 HOH B O   1 
HETATM 1617 O O   . HOH E 5 .   ? -36.970 -16.558 -39.259 1.00 25.06 ? 328 HOH B O   1 
HETATM 1618 O O   . HOH E 5 .   ? -30.822 -6.660  -11.379 1.00 15.72 ? 329 HOH B O   1 
HETATM 1619 O O   . HOH E 5 .   ? -17.531 -27.589 -19.639 1.00 19.15 ? 330 HOH B O   1 
HETATM 1620 O O   . HOH E 5 .   ? -37.826 2.952   -22.999 1.00 21.72 ? 331 HOH B O   1 
HETATM 1621 O O   . HOH E 5 .   ? -35.852 -19.388 -30.438 1.00 35.96 ? 332 HOH B O   1 
HETATM 1622 O O   . HOH E 5 .   ? -41.113 -8.087  -3.284  1.00 39.49 ? 333 HOH B O   1 
HETATM 1623 O O   . HOH E 5 .   ? -30.844 -20.359 -21.322 1.00 12.67 ? 334 HOH B O   1 
HETATM 1624 O O   . HOH E 5 .   ? -38.636 -7.672  -10.831 1.00 16.64 ? 335 HOH B O   1 
HETATM 1625 O O   . HOH E 5 .   ? -12.695 -21.317 -18.718 1.00 26.31 ? 336 HOH B O   1 
HETATM 1626 O O   . HOH E 5 .   ? -36.579 -23.163 -30.754 1.00 32.18 ? 337 HOH B O   1 
HETATM 1627 O O   . HOH E 5 .   ? -10.921 -21.316 -25.201 1.00 29.63 ? 338 HOH B O   1 
HETATM 1628 O O   . HOH E 5 .   ? -10.208 -23.415 -21.709 1.00 29.09 ? 339 HOH B O   1 
HETATM 1629 O O   . HOH E 5 .   ? -34.131 -22.146 -31.331 1.00 18.80 ? 340 HOH B O   1 
HETATM 1630 O O   . HOH E 5 .   ? -26.488 -25.727 -16.344 1.00 16.77 ? 341 HOH B O   1 
HETATM 1631 O O   . HOH E 5 .   ? -18.525 -4.657  -24.830 1.00 17.87 ? 342 HOH B O   1 
HETATM 1632 O O   . HOH E 5 .   ? -38.484 3.802   -13.579 1.00 37.89 ? 343 HOH B O   1 
HETATM 1633 O O   . HOH E 5 .   ? -27.146 -20.166 -6.934  1.00 18.96 ? 344 HOH B O   1 
HETATM 1634 O O   . HOH E 5 .   ? -30.251 -24.050 -33.983 1.00 23.14 ? 345 HOH B O   1 
HETATM 1635 O O   . HOH E 5 .   ? -38.725 -2.600  -21.456 1.00 15.20 ? 346 HOH B O   1 
HETATM 1636 O O   . HOH E 5 .   ? -23.400 4.338   -24.831 1.00 26.43 ? 347 HOH B O   1 
HETATM 1637 O O   . HOH E 5 .   ? -47.113 -17.099 -31.580 1.00 23.22 ? 348 HOH B O   1 
HETATM 1638 O O   . HOH E 5 .   ? -43.054 -15.374 -10.227 1.00 19.49 ? 349 HOH B O   1 
HETATM 1639 O O   . HOH E 5 .   ? -23.944 1.271   -10.846 1.00 37.03 ? 350 HOH B O   1 
HETATM 1640 O O   . HOH E 5 .   ? -19.883 1.819   -30.686 1.00 32.48 ? 351 HOH B O   1 
HETATM 1641 O O   . HOH E 5 .   ? -16.721 -5.553  -9.483  1.00 33.62 ? 352 HOH B O   1 
HETATM 1642 O O   . HOH E 5 .   ? -37.355 -25.387 -11.178 1.00 39.17 ? 353 HOH B O   1 
HETATM 1643 O O   . HOH E 5 .   ? -40.362 -14.449 -31.349 1.00 15.34 ? 354 HOH B O   1 
HETATM 1644 O O   . HOH E 5 .   ? -13.528 -21.027 -35.183 1.00 30.75 ? 355 HOH B O   1 
HETATM 1645 O O   . HOH E 5 .   ? -42.270 -4.132  -39.627 1.00 23.95 ? 356 HOH B O   1 
HETATM 1646 O O   . HOH E 5 .   ? -19.408 -4.319  -22.166 1.00 16.92 ? 357 HOH B O   1 
HETATM 1647 O O   . HOH E 5 .   ? -35.502 -4.916  -42.282 1.00 23.19 ? 358 HOH B O   1 
HETATM 1648 O O   . HOH E 5 .   ? -15.046 -19.779 -37.493 1.00 28.42 ? 359 HOH B O   1 
HETATM 1649 O O   . HOH E 5 .   ? -36.344 -1.995  -33.945 1.00 21.08 ? 360 HOH B O   1 
HETATM 1650 O O   . HOH E 5 .   ? -45.224 -12.568 -26.493 1.00 38.32 ? 361 HOH B O   1 
HETATM 1651 O O   . HOH E 5 .   ? -42.718 -5.799  -12.494 1.00 24.42 ? 362 HOH B O   1 
HETATM 1652 O O   . HOH E 5 .   ? -23.286 2.273   -23.214 1.00 29.99 ? 363 HOH B O   1 
HETATM 1653 O O   . HOH E 5 .   ? -49.853 -2.428  -19.479 1.00 32.72 ? 364 HOH B O   1 
HETATM 1654 O O   . HOH E 5 .   ? -30.745 1.146   -17.270 1.00 26.70 ? 365 HOH B O   1 
HETATM 1655 O O   . HOH E 5 .   ? -17.883 -19.836 -37.531 1.00 29.71 ? 366 HOH B O   1 
HETATM 1656 O O   . HOH E 5 .   ? -44.016 0.390   -25.044 1.00 28.79 ? 367 HOH B O   1 
HETATM 1657 O O   . HOH E 5 .   ? -26.712 -17.551 -7.761  1.00 17.18 ? 368 HOH B O   1 
HETATM 1658 O O   . HOH E 5 .   ? -25.773 -14.157 -3.052  1.00 32.53 ? 369 HOH B O   1 
HETATM 1659 O O   . HOH E 5 .   ? -35.912 -3.829  -10.193 1.00 46.34 ? 370 HOH B O   1 
HETATM 1660 O O   . HOH E 5 .   ? -9.002  -13.490 -25.395 1.00 35.73 ? 371 HOH B O   1 
HETATM 1661 O O   . HOH E 5 .   ? -12.845 -18.419 -34.863 1.00 35.75 ? 372 HOH B O   1 
HETATM 1662 O O   . HOH E 5 .   ? -9.512  -20.800 -28.921 1.00 43.80 ? 373 HOH B O   1 
HETATM 1663 O O   . HOH E 5 .   ? -32.815 -18.303 -37.270 1.00 35.34 ? 374 HOH B O   1 
HETATM 1664 O O   . HOH E 5 .   ? -20.925 -16.332 -5.541  1.00 16.59 ? 375 HOH B O   1 
HETATM 1665 O O   . HOH E 5 .   ? -28.324 -21.499 -8.926  1.00 19.13 ? 376 HOH B O   1 
HETATM 1666 O O   . HOH E 5 .   ? -24.515 -4.406  -36.895 1.00 36.95 ? 377 HOH B O   1 
HETATM 1667 O O   . HOH E 5 .   ? -34.065 -21.782 -36.598 1.00 44.94 ? 378 HOH B O   1 
HETATM 1668 O O   . HOH E 5 .   ? -19.167 -29.171 -23.460 1.00 25.62 ? 379 HOH B O   1 
HETATM 1669 O O   . HOH E 5 .   ? -40.824 -14.582 -8.598  1.00 26.70 ? 380 HOH B O   1 
HETATM 1670 O O   . HOH E 5 .   ? -41.113 -9.546  -36.747 1.00 27.96 ? 381 HOH B O   1 
HETATM 1671 O O   . HOH E 5 .   ? -32.316 -4.984  -13.014 1.00 14.15 ? 382 HOH B O   1 
HETATM 1672 O O   . HOH E 5 .   ? -14.596 -16.575 -33.169 1.00 29.17 ? 383 HOH B O   1 
HETATM 1673 O O   . HOH E 5 .   ? -45.857 -14.773 -27.463 1.00 34.54 ? 384 HOH B O   1 
HETATM 1674 O O   . HOH E 5 .   ? -36.518 -1.022  -22.230 1.00 13.57 ? 385 HOH B O   1 
HETATM 1675 O O   . HOH E 5 .   ? -41.020 5.498   -28.910 1.00 28.38 ? 386 HOH B O   1 
HETATM 1676 O O   . HOH E 5 .   ? -37.022 0.870   -15.719 1.00 18.16 ? 387 HOH B O   1 
HETATM 1677 O O   . HOH E 5 .   ? -41.230 -8.485  -13.501 1.00 24.26 ? 388 HOH B O   1 
HETATM 1678 O O   . HOH E 5 .   ? -24.025 -12.319 -6.639  1.00 18.43 ? 389 HOH B O   1 
HETATM 1679 O O   . HOH E 5 .   ? -17.915 -4.274  -5.947  1.00 40.09 ? 390 HOH B O   1 
HETATM 1680 O O   . HOH E 5 .   ? -45.921 -4.429  -34.109 1.00 27.78 ? 391 HOH B O   1 
HETATM 1681 O O   . HOH E 5 .   ? -23.887 -26.542 -15.836 1.00 22.08 ? 392 HOH B O   1 
HETATM 1682 O O   . HOH E 5 .   ? -18.328 -17.443 -36.433 1.00 27.03 ? 393 HOH B O   1 
HETATM 1683 O O   . HOH E 5 .   ? -27.817 -27.691 -25.760 1.00 32.03 ? 394 HOH B O   1 
HETATM 1684 O O   . HOH E 5 .   ? -31.005 4.027   -24.491 1.00 22.25 ? 395 HOH B O   1 
HETATM 1685 O O   . HOH E 5 .   ? -25.320 -10.516 -23.658 1.00 13.77 ? 396 HOH B O   1 
HETATM 1686 O O   . HOH E 5 .   ? -25.739 -27.051 -23.853 1.00 17.78 ? 397 HOH B O   1 
HETATM 1687 O O   . HOH E 5 .   ? -45.767 -19.790 -31.637 1.00 27.80 ? 398 HOH B O   1 
HETATM 1688 O O   . HOH E 5 .   ? -39.922 -11.658 -22.856 1.00 33.05 ? 399 HOH B O   1 
HETATM 1689 O O   . HOH E 5 .   ? -33.388 -14.891 -7.024  1.00 21.55 ? 400 HOH B O   1 
HETATM 1690 O O   . HOH E 5 .   ? -41.150 -6.085  -38.144 1.00 35.30 ? 401 HOH B O   1 
HETATM 1691 O O   . HOH E 5 .   ? -36.443 -0.576  -42.590 1.00 35.47 ? 402 HOH B O   1 
HETATM 1692 O O   . HOH E 5 .   ? -44.994 -7.839  -39.183 1.00 18.31 ? 403 HOH B O   1 
HETATM 1693 O O   . HOH E 5 .   ? -16.060 -11.734 -5.461  1.00 39.77 ? 404 HOH B O   1 
HETATM 1694 O O   . HOH E 5 .   ? -31.502 3.307   -27.080 1.00 22.01 ? 405 HOH B O   1 
HETATM 1695 O O   . HOH E 5 .   ? -24.883 -11.008 -4.233  1.00 25.22 ? 406 HOH B O   1 
HETATM 1696 O O   . HOH E 5 .   ? -13.255 -6.282  -29.232 1.00 33.07 ? 407 HOH B O   1 
HETATM 1697 O O   . HOH E 5 .   ? -9.406  -15.928 -26.638 1.00 29.17 ? 408 HOH B O   1 
HETATM 1698 O O   . HOH E 5 .   ? -24.857 -14.993 -6.885  1.00 15.78 ? 409 HOH B O   1 
HETATM 1699 O O   . HOH E 5 .   ? -47.408 -0.139  -32.891 1.00 34.91 ? 410 HOH B O   1 
HETATM 1700 O O   . HOH E 5 .   ? -40.785 6.186   -33.384 1.00 28.60 ? 411 HOH B O   1 
HETATM 1701 O O   . HOH E 5 .   ? -42.378 -5.279  -43.798 1.00 21.49 ? 412 HOH B O   1 
HETATM 1702 O O   . HOH E 5 .   ? -18.071 -15.976 -6.134  1.00 22.69 ? 413 HOH B O   1 
HETATM 1703 O O   . HOH E 5 .   ? -33.578 -1.925  -38.392 1.00 24.46 ? 414 HOH B O   1 
HETATM 1704 O O   . HOH E 5 .   ? -41.084 -8.911  -19.176 1.00 19.87 ? 415 HOH B O   1 
HETATM 1705 O O   . HOH E 5 .   ? -29.103 7.607   -30.352 1.00 28.83 ? 416 HOH B O   1 
HETATM 1706 O O   . HOH E 5 .   ? -43.152 3.604   -18.892 1.00 22.84 ? 417 HOH B O   1 
HETATM 1707 O O   . HOH E 5 .   ? -30.795 -17.413 -42.812 1.00 34.98 ? 418 HOH B O   1 
HETATM 1708 O O   . HOH E 5 .   ? -17.956 -11.232 -35.642 1.00 27.38 ? 419 HOH B O   1 
HETATM 1709 O O   . HOH E 5 .   ? -16.116 -14.697 -8.686  1.00 30.80 ? 420 HOH B O   1 
HETATM 1710 O O   . HOH E 5 .   ? -42.889 1.464   -22.859 1.00 28.19 ? 421 HOH B O   1 
HETATM 1711 O O   . HOH E 5 .   ? -40.468 -7.631  -34.801 1.00 21.38 ? 422 HOH B O   1 
HETATM 1712 O O   . HOH E 5 .   ? -34.339 -7.138  -7.905  1.00 29.58 ? 423 HOH B O   1 
HETATM 1713 O O   . HOH E 5 .   ? -34.797 -9.030  -6.093  1.00 41.93 ? 424 HOH B O   1 
HETATM 1714 O O   . HOH E 5 .   ? -20.030 2.361   -24.254 1.00 38.12 ? 425 HOH B O   1 
HETATM 1715 O O   . HOH E 5 .   ? -52.623 -14.060 -29.318 1.00 47.64 ? 426 HOH B O   1 
HETATM 1716 O O   . HOH E 5 .   ? -25.434 6.907   -29.087 1.00 27.76 ? 427 HOH B O   1 
HETATM 1717 O O   . HOH E 5 .   ? -16.092 -7.367  -11.405 1.00 31.15 ? 428 HOH B O   1 
HETATM 1718 O O   . HOH E 5 .   ? -46.753 0.968   -25.212 1.00 38.94 ? 429 HOH B O   1 
HETATM 1719 O O   . HOH E 5 .   ? -32.837 -23.696 -33.422 1.00 31.29 ? 430 HOH B O   1 
HETATM 1720 O O   . HOH E 5 .   ? -36.812 -6.597  -8.980  1.00 32.82 ? 431 HOH B O   1 
HETATM 1721 O O   . HOH E 5 .   ? -8.351  -23.165 -30.166 1.00 31.96 ? 432 HOH B O   1 
HETATM 1722 O O   . HOH E 5 .   ? -26.227 -28.303 -21.465 1.00 40.45 ? 433 HOH B O   1 
HETATM 1723 O O   . HOH E 5 .   ? -21.884 7.013   -32.305 1.00 32.19 ? 434 HOH B O   1 
HETATM 1724 O O   . HOH E 5 .   ? -36.658 1.975   -42.833 1.00 46.47 ? 435 HOH B O   1 
HETATM 1725 O O   . HOH E 5 .   ? -34.607 5.414   -18.442 1.00 38.81 ? 436 HOH B O   1 
HETATM 1726 O O   . HOH E 5 .   ? -39.874 5.313   -22.113 1.00 26.84 ? 437 HOH B O   1 
HETATM 1727 O O   . HOH E 5 .   ? -41.672 -9.874  -43.959 1.00 34.88 ? 438 HOH B O   1 
HETATM 1728 O O   . HOH E 5 .   ? -22.865 3.389   -20.803 1.00 39.53 ? 439 HOH B O   1 
HETATM 1729 O O   . HOH E 5 .   ? -15.925 -22.226 -14.494 1.00 29.50 ? 440 HOH B O   1 
HETATM 1730 O O   . HOH E 5 .   ? -28.326 -27.718 -16.797 1.00 24.03 ? 441 HOH B O   1 
HETATM 1731 O O   . HOH E 5 .   ? -39.037 -16.869 -40.851 1.00 38.85 ? 442 HOH B O   1 
HETATM 1732 O O   . HOH E 5 .   ? -15.981 -26.949 -17.183 1.00 37.86 ? 443 HOH B O   1 
HETATM 1733 O O   . HOH E 5 .   ? -26.337 -31.238 -24.033 1.00 30.35 ? 444 HOH B O   1 
HETATM 1734 O O   . HOH E 5 .   ? -42.013 -13.343 -22.323 1.00 36.88 ? 445 HOH B O   1 
# 
