data_7HNL
# 
_entry.id   7HNL 
# 
_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   7HNL         pdb_00007hnl 10.2210/pdb7hnl/pdb 
WWPDB D_1001407699 ?            ?                   
# 
_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                        7HNL 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-04 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.SG_entry                        ? 
_pdbx_database_status.pdb_format_compatible           Y 
_pdbx_database_status.methods_development_category    ? 
# 
_pdbx_contact_author.id                 1 
_pdbx_contact_author.email              knapp@pharmchem.uni-frankfurt.de 
_pdbx_contact_author.name_first         Stefan 
_pdbx_contact_author.name_last          Knapp 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-5995-6494 
_pdbx_contact_author.name_mi            ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Kim, Y.'                              1 
'Marples, P.'                          2 
'Fearon, D.'                           3 
'von Delft, F.'                        4 
'Knapp, S.'                            5 
'Kraemer, A.'                          6 
'Structural Genomics Consortium (SGC)' 7 
# 
_citation.id                        primary 
_citation.title                     'PanDDA analysis group deposition' 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_volume            ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.year                      ? 
_citation.journal_id_ASTM           ? 
_citation.country                   ? 
_citation.journal_id_ISSN           ? 
_citation.journal_id_CSD            0353 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_DOI      ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.identifier_ORCID 
_citation_author.ordinal 
primary 'Kim, Y.'                              ? 1 
primary 'Marples, P.'                          ? 2 
primary 'Fearon, D.'                           ? 3 
primary 'von Delft, F.'                        ? 4 
primary 'Knapp, S.'                            ? 5 
primary 'Kraemer, A.'                          ? 6 
primary 'Structural Genomics Consortium (SGC)' ? 7 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'E3 ubiquitin-protein ligase TRIM21'                  21596.361 1   2.3.2.27 ? ? ? 
2 non-polymer syn 1,2-ETHANEDIOL                                        62.068    2   ?        ? ? ? 
3 non-polymer syn '1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine'        183.274   1   ?        ? ? ? 
4 non-polymer syn '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID' 238.305   1   ?        ? ? ? 
5 non-polymer syn 'SULFATE ION'                                         96.063    1   ?        ? ? ? 
6 water       nat water                                                 18.015    141 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;52 kDa Ro protein,52 kDa ribonucleoprotein autoantigen Ro/SS-A,Ro(SS-A),Sjoegren syndrome type A antigen,SS-A,Tripartite motif-containing protein 21
;
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_strand_id                 B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 1,2-ETHANEDIOL                                        EDO 
3 '1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine'        RWS 
4 '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID' EPE 
5 'SULFATE ION'                                         SO4 
6 water                                                 HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   HIS n 
1 3   HIS n 
1 4   HIS n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   MET n 
1 9   VAL n 
1 10  HIS n 
1 11  ILE n 
1 12  THR n 
1 13  LEU n 
1 14  ASP n 
1 15  ARG n 
1 16  ASN n 
1 17  THR n 
1 18  ALA n 
1 19  ASN n 
1 20  SER n 
1 21  TRP n 
1 22  LEU n 
1 23  ILE n 
1 24  ILE n 
1 25  SER n 
1 26  LYS n 
1 27  ASP n 
1 28  ARG n 
1 29  ARG n 
1 30  GLN n 
1 31  VAL n 
1 32  ARG n 
1 33  MET n 
1 34  GLY n 
1 35  ASP n 
1 36  THR n 
1 37  HIS n 
1 38  GLN n 
1 39  ASN n 
1 40  VAL n 
1 41  SER n 
1 42  ASP n 
1 43  ASN n 
1 44  LYS n 
1 45  GLU n 
1 46  ARG n 
1 47  PHE n 
1 48  SER n 
1 49  ASN n 
1 50  TYR n 
1 51  PRO n 
1 52  MET n 
1 53  VAL n 
1 54  LEU n 
1 55  GLY n 
1 56  ALA n 
1 57  GLN n 
1 58  ARG n 
1 59  PHE n 
1 60  SER n 
1 61  SER n 
1 62  GLY n 
1 63  LYS n 
1 64  MET n 
1 65  TYR n 
1 66  TRP n 
1 67  GLU n 
1 68  VAL n 
1 69  ASP n 
1 70  VAL n 
1 71  THR n 
1 72  GLN n 
1 73  LYS n 
1 74  GLU n 
1 75  ALA n 
1 76  TRP n 
1 77  ASP n 
1 78  LEU n 
1 79  GLY n 
1 80  VAL n 
1 81  CYS n 
1 82  ARG n 
1 83  ASP n 
1 84  SER n 
1 85  VAL n 
1 86  GLN n 
1 87  ARG n 
1 88  LYS n 
1 89  GLY n 
1 90  GLN n 
1 91  PHE n 
1 92  SER n 
1 93  LEU n 
1 94  SER n 
1 95  PRO n 
1 96  GLU n 
1 97  ASN n 
1 98  GLY n 
1 99  PHE n 
1 100 TRP n 
1 101 THR n 
1 102 ILE n 
1 103 TRP n 
1 104 LEU n 
1 105 TRP n 
1 106 GLN n 
1 107 ASP n 
1 108 SER n 
1 109 TYR n 
1 110 GLU n 
1 111 ALA n 
1 112 GLY n 
1 113 THR n 
1 114 SER n 
1 115 PRO n 
1 116 GLN n 
1 117 THR n 
1 118 THR n 
1 119 LEU n 
1 120 HIS n 
1 121 ILE n 
1 122 GLN n 
1 123 VAL n 
1 124 PRO n 
1 125 PRO n 
1 126 CYS n 
1 127 GLN n 
1 128 ILE n 
1 129 GLY n 
1 130 ILE n 
1 131 PHE n 
1 132 VAL n 
1 133 ASP n 
1 134 TYR n 
1 135 GLU n 
1 136 ALA n 
1 137 GLY n 
1 138 VAL n 
1 139 VAL n 
1 140 SER n 
1 141 PHE n 
1 142 TYR n 
1 143 ASN n 
1 144 ILE n 
1 145 THR n 
1 146 ASP n 
1 147 HIS n 
1 148 GLY n 
1 149 SER n 
1 150 LEU n 
1 151 ILE n 
1 152 TYR n 
1 153 THR n 
1 154 PHE n 
1 155 SER n 
1 156 GLU n 
1 157 CYS n 
1 158 VAL n 
1 159 PHE n 
1 160 ALA n 
1 161 GLY n 
1 162 PRO n 
1 163 LEU n 
1 164 ARG n 
1 165 PRO n 
1 166 PHE n 
1 167 PHE n 
1 168 ASN n 
1 169 VAL n 
1 170 GLY n 
1 171 PHE n 
1 172 ASN n 
1 173 TYR n 
1 174 SER n 
1 175 GLY n 
1 176 GLY n 
1 177 ASN n 
1 178 ALA n 
1 179 ALA n 
1 180 PRO n 
1 181 LEU n 
1 182 LYS n 
1 183 LEU n 
1 184 CYS n 
1 185 PRO n 
1 186 LEU n 
1 187 LYS n 
1 188 MET n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   188 
_entity_src_gen.gene_src_common_name               'house mouse' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'Trim21, Ro52, Ssa1' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Mus musculus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     10090 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE                                               ?                 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE                                              ?                 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE                                            ?                 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'                                       ?                 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE                                              ?                 'C3 H7 N O2 S'   121.158 
EDO non-polymer         . 1,2-ETHANEDIOL                                        'ETHYLENE GLYCOL' 'C2 H6 O2'       62.068  
EPE non-polymer         . '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID' HEPES             'C8 H18 N2 O4 S' 238.305 
GLN 'L-peptide linking' y GLUTAMINE                                             ?                 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'                                       ?                 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE                                               ?                 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE                                             ?                 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER                                                 ?                 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE                                            ?                 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE                                               ?                 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE                                                ?                 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE                                            ?                 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE                                         ?                 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE                                               ?                 'C5 H9 N O2'     115.130 
RWS non-polymer         . '1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine'        ?                 'C8 H13 N3 S'    183.274 
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        RWS 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   RWS 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 EDO 1   201 202 EDO EDO B . 
C 3 RWS 1   202 302 RWS LIG B . 
D 4 EPE 1   203 402 EPE EPE B . 
E 2 EDO 1   204 305 EDO EDO B . 
F 5 SO4 1   205 1   SO4 SO4 B . 
G 6 HOH 1   301 29  HOH HOH B . 
G 6 HOH 2   302 1   HOH HOH B . 
G 6 HOH 3   303 11  HOH HOH B . 
G 6 HOH 4   304 281 HOH HOH B . 
G 6 HOH 5   305 4   HOH HOH B . 
G 6 HOH 6   306 2   HOH HOH B . 
G 6 HOH 7   307 129 HOH HOH B . 
G 6 HOH 8   308 33  HOH HOH B . 
G 6 HOH 9   309 26  HOH HOH B . 
G 6 HOH 10  310 85  HOH HOH B . 
G 6 HOH 11  311 99  HOH HOH B . 
G 6 HOH 12  312 89  HOH HOH B . 
G 6 HOH 13  313 120 HOH HOH B . 
G 6 HOH 14  314 27  HOH HOH B . 
G 6 HOH 15  315 40  HOH HOH B . 
G 6 HOH 16  316 102 HOH HOH B . 
G 6 HOH 17  317 27  HOH HOH B . 
G 6 HOH 18  318 16  HOH HOH B . 
G 6 HOH 19  319 51  HOH HOH B . 
G 6 HOH 20  320 18  HOH HOH B . 
G 6 HOH 21  321 90  HOH HOH B . 
G 6 HOH 22  322 100 HOH HOH B . 
G 6 HOH 23  323 15  HOH HOH B . 
G 6 HOH 24  324 5   HOH HOH B . 
G 6 HOH 25  325 72  HOH HOH B . 
G 6 HOH 26  326 2   HOH HOH B . 
G 6 HOH 27  327 80  HOH HOH B . 
G 6 HOH 28  328 16  HOH HOH B . 
G 6 HOH 29  329 39  HOH HOH B . 
G 6 HOH 30  330 21  HOH HOH B . 
G 6 HOH 31  331 11  HOH HOH B . 
G 6 HOH 32  332 267 HOH HOH B . 
G 6 HOH 33  333 81  HOH HOH B . 
G 6 HOH 34  334 211 HOH HOH B . 
G 6 HOH 35  335 62  HOH HOH B . 
G 6 HOH 36  336 20  HOH HOH B . 
G 6 HOH 37  337 70  HOH HOH B . 
G 6 HOH 38  338 63  HOH HOH B . 
G 6 HOH 39  339 32  HOH HOH B . 
G 6 HOH 40  340 10  HOH HOH B . 
G 6 HOH 41  341 31  HOH HOH B . 
G 6 HOH 42  342 58  HOH HOH B . 
G 6 HOH 43  343 36  HOH HOH B . 
G 6 HOH 44  344 116 HOH HOH B . 
G 6 HOH 45  345 68  HOH HOH B . 
G 6 HOH 46  346 29  HOH HOH B . 
G 6 HOH 47  347 157 HOH HOH B . 
G 6 HOH 48  348 19  HOH HOH B . 
G 6 HOH 49  349 76  HOH HOH B . 
G 6 HOH 50  350 43  HOH HOH B . 
G 6 HOH 51  351 172 HOH HOH B . 
G 6 HOH 52  352 71  HOH HOH B . 
G 6 HOH 53  353 9   HOH HOH B . 
G 6 HOH 54  354 22  HOH HOH B . 
G 6 HOH 55  355 264 HOH HOH B . 
G 6 HOH 56  356 47  HOH HOH B . 
G 6 HOH 57  357 66  HOH HOH B . 
G 6 HOH 58  358 1   HOH HOH B . 
G 6 HOH 59  359 64  HOH HOH B . 
G 6 HOH 60  360 25  HOH HOH B . 
G 6 HOH 61  361 86  HOH HOH B . 
G 6 HOH 62  362 26  HOH HOH B . 
G 6 HOH 63  363 34  HOH HOH B . 
G 6 HOH 64  364 7   HOH HOH B . 
G 6 HOH 65  365 10  HOH HOH B . 
G 6 HOH 66  366 93  HOH HOH B . 
G 6 HOH 67  367 126 HOH HOH B . 
G 6 HOH 68  368 61  HOH HOH B . 
G 6 HOH 69  369 33  HOH HOH B . 
G 6 HOH 70  370 214 HOH HOH B . 
G 6 HOH 71  371 303 HOH HOH B . 
G 6 HOH 72  372 60  HOH HOH B . 
G 6 HOH 73  373 137 HOH HOH B . 
G 6 HOH 74  374 304 HOH HOH B . 
G 6 HOH 75  375 3   HOH HOH B . 
G 6 HOH 76  376 50  HOH HOH B . 
G 6 HOH 77  377 4   HOH HOH B . 
G 6 HOH 78  378 197 HOH HOH B . 
G 6 HOH 79  379 17  HOH HOH B . 
G 6 HOH 80  380 14  HOH HOH B . 
G 6 HOH 81  381 8   HOH HOH B . 
G 6 HOH 82  382 107 HOH HOH B . 
G 6 HOH 83  383 46  HOH HOH B . 
G 6 HOH 84  384 42  HOH HOH B . 
G 6 HOH 85  385 32  HOH HOH B . 
G 6 HOH 86  386 59  HOH HOH B . 
G 6 HOH 87  387 12  HOH HOH B . 
G 6 HOH 88  388 55  HOH HOH B . 
G 6 HOH 89  389 6   HOH HOH B . 
G 6 HOH 90  390 3   HOH HOH B . 
G 6 HOH 91  391 49  HOH HOH B . 
G 6 HOH 92  392 48  HOH HOH B . 
G 6 HOH 93  393 97  HOH HOH B . 
G 6 HOH 94  394 25  HOH HOH B . 
G 6 HOH 95  395 140 HOH HOH B . 
G 6 HOH 96  396 13  HOH HOH B . 
G 6 HOH 97  397 24  HOH HOH B . 
G 6 HOH 98  398 22  HOH HOH B . 
G 6 HOH 99  399 8   HOH HOH B . 
G 6 HOH 100 400 18  HOH HOH B . 
G 6 HOH 101 401 73  HOH HOH B . 
G 6 HOH 102 402 15  HOH HOH B . 
G 6 HOH 103 403 5   HOH HOH B . 
G 6 HOH 104 404 23  HOH HOH B . 
G 6 HOH 105 405 56  HOH HOH B . 
G 6 HOH 106 406 45  HOH HOH B . 
G 6 HOH 107 407 30  HOH HOH B . 
G 6 HOH 108 408 53  HOH HOH B . 
G 6 HOH 109 409 38  HOH HOH B . 
G 6 HOH 110 410 7   HOH HOH B . 
G 6 HOH 111 411 20  HOH HOH B . 
G 6 HOH 112 412 41  HOH HOH B . 
G 6 HOH 113 413 57  HOH HOH B . 
G 6 HOH 114 414 69  HOH HOH B . 
G 6 HOH 115 415 125 HOH HOH B . 
G 6 HOH 116 416 54  HOH HOH B . 
G 6 HOH 117 417 112 HOH HOH B . 
G 6 HOH 118 418 115 HOH HOH B . 
G 6 HOH 119 419 19  HOH HOH B . 
G 6 HOH 120 420 44  HOH HOH B . 
G 6 HOH 121 421 154 HOH HOH B . 
G 6 HOH 122 422 103 HOH HOH B . 
G 6 HOH 123 423 133 HOH HOH B . 
G 6 HOH 124 424 257 HOH HOH B . 
G 6 HOH 125 425 156 HOH HOH B . 
G 6 HOH 126 426 263 HOH HOH B . 
G 6 HOH 127 427 30  HOH HOH B . 
G 6 HOH 128 428 114 HOH HOH B . 
G 6 HOH 129 429 266 HOH HOH B . 
G 6 HOH 130 430 98  HOH HOH B . 
G 6 HOH 131 431 23  HOH HOH B . 
G 6 HOH 132 432 21  HOH HOH B . 
G 6 HOH 133 433 13  HOH HOH B . 
G 6 HOH 134 434 205 HOH HOH B . 
G 6 HOH 135 435 104 HOH HOH B . 
G 6 HOH 136 436 127 HOH HOH B . 
G 6 HOH 137 437 259 HOH HOH B . 
G 6 HOH 138 438 14  HOH HOH B . 
G 6 HOH 139 439 34  HOH HOH B . 
G 6 HOH 140 440 270 HOH HOH B . 
G 6 HOH 141 441 131 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           7HNL 
_cell.length_a           95.333 
_cell.length_b           95.333 
_cell.length_c           45.756 
_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                         7HNL 
_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          7HNL 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.41 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   48.90 
_exptl_crystal.size_max              ? 
_exptl_crystal.size_mid              ? 
_exptl_crystal.size_min              ? 
_exptl_crystal.size_rad              ? 
_exptl_crystal.description           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.pH              8 
_exptl_crystal_grow.temp            293 
_exptl_crystal_grow.pdbx_details    '4 % PEG 400, 2 M AmmSO4, 0.1 M HEPES pH 8' 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           100 
_diffrn.crystal_id             1 
_diffrn.ambient_temp_details   ? 
# 
_diffrn_detector.detector               PIXEL 
_diffrn_detector.type                   'DECTRIS EIGER2 XE 9M' 
_diffrn_detector.pdbx_collection_date   2024-07-04 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.92134 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'DIAMOND BEAMLINE I04-1' 
_diffrn_source.pdbx_wavelength_list        0.92134 
_diffrn_source.pdbx_synchrotron_site       Diamond 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HNL 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             33.700 
_reflns.d_resolution_high            1.440 
_reflns.number_obs                   37327 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         100.000 
_reflns.pdbx_Rmerge_I_obs            0.148 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        8.100 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              12.800 
_reflns.pdbx_Rrim_I_all              0.154 
_reflns.pdbx_Rpim_I_all              0.042 
_reflns.pdbx_CC_half                 0.997 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     477372 
_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 1.440 1.460  ? 16894 1828 ? 3.394 ? ? ? 9.200  ? 0.300  ? ? ? ? ? ? 99.800 3.595 1.176 0.379 
1 2 7.890 33.700 ? 2857  246  ? 0.067 ? ? ? 11.600 ? 43.900 ? ? ? ? ? ? 99.000 0.071 0.021 0.960 
# 
_refine.entry_id                                 7HNL 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.4400 
_refine.ls_d_res_low                             33.7300 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    99.5700 
_refine.ls_number_reflns_obs                     35398 
_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                          0.1916 
_refine.ls_R_factor_R_work                       0.1903 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.2164 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.8000 
_refine.ls_number_reflns_R_free                  1796 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               22.0760 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.0900 
_refine.aniso_B[2][2]                            0.0900 
_refine.aniso_B[3][3]                            -0.1900 
_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          0.9580 
_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                       0.0750 
_refine.pdbx_overall_ESU_R_Free                  0.0750 
_refine.overall_SU_ML                            0.0750 
_refine.overall_SU_B                             2.2110 
_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                                86.000 
_refine.B_iso_min                                12.890 
_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                       1.4400 
_refine_hist.d_res_low                        33.7300 
_refine_hist.pdbx_number_atoms_ligand         40 
_refine_hist.number_atoms_solvent             141 
_refine_hist.number_atoms_total               1674 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           49.50 
_refine_hist.pdbx_B_iso_mean_solvent          31.42 
_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       2112 0.009  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1668 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2618 1.583  1.639  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3860 1.355  1.577  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 241  7.228  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 110  29.880 21.182 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 288  12.383 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   20.091 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         220  0.075  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2296 0.009  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     510  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            976  1.574  1.987  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         965  1.530  1.964  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1153 2.398  2.945  ? ? 
# 
_refine_ls_shell.d_res_high                       1.4400 
_refine_ls_shell.d_res_low                        1.4770 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               94.7500 
_refine_ls_shell.number_reflns_R_work             2490 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3580 
_refine_ls_shell.R_factor_R_free                  0.3550 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             109 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                2599 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HNL 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1251207602' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HNL 
_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 2 ? 
F N N 5 ? 
G N N 6 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    RO52_MOUSE 
_struct_ref.pdbx_db_accession          Q62191 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;VHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGVCRDSVQRK
GQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFAGPLRPFFN
VGFNYSGGNAAPLKLCPLKM
;
_struct_ref.pdbx_align_begin           291 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              7HNL 
_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 7HNL MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HNL HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HNL HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HNL HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HNL HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HNL HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HNL HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HNL MET B 8 ? UNP Q62191 ? ? 'expression tag'        14 8 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 4  ? MET A 8  ? HIS B 10  MET B 14  5 ? 5 
HELX_P HELX_P2 AA2 ASP A 14 ? ALA A 18 ? ASP B 20  ALA B 24  5 ? 5 
HELX_P HELX_P3 AA3 SER A 94 ? ASN A 97 ? SER B 100 ASN B 103 5 ? 4 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           114 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            120 
_struct_mon_prot_cis.auth_asym_id           B 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    115 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     121 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    B 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -0.27 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 7 ? 
AA2 ? 6 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 LEU A 22  ? ILE A 24  ? LEU B 28  ILE B 30  
AA1 2 GLN A 30  ? MET A 33  ? GLN B 36  MET B 39  
AA1 3 LEU A 181 ? LEU A 183 ? LEU B 187 LEU B 189 
AA1 4 LYS A 63  ? ASP A 69  ? LYS B 69  ASP B 75  
AA1 5 GLN A 127 ? ASP A 133 ? GLN B 133 ASP B 139 
AA1 6 VAL A 138 ? ASN A 143 ? VAL B 144 ASN B 149 
AA1 7 SER A 149 ? PHE A 154 ? SER B 155 PHE B 160 
AA2 1 MET A 52  ? LEU A 54  ? MET B 58  LEU B 60  
AA2 2 LEU A 163 ? ASN A 168 ? LEU B 169 ASN B 174 
AA2 3 TRP A 76  ? ARG A 82  ? TRP B 82  ARG B 88  
AA2 4 PHE A 99  ? TRP A 105 ? PHE B 105 TRP B 111 
AA2 5 SER A 108 ? ALA A 111 ? SER B 114 ALA B 117 
AA2 6 THR A 117 ? THR A 118 ? THR B 123 THR B 124 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N ILE A 23  ? N ILE B 29  O ARG A 32  ? O ARG B 38  
AA1 2 3 N VAL A 31  ? N VAL B 37  O LEU A 181 ? O LEU B 187 
AA1 3 4 O LYS A 182 ? O LYS B 188 N ASP A 69  ? N ASP B 75  
AA1 4 5 N TRP A 66  ? N TRP B 72  O ILE A 130 ? O ILE B 136 
AA1 5 6 N PHE A 131 ? N PHE B 137 O SER A 140 ? O SER B 146 
AA1 6 7 N PHE A 141 ? N PHE B 147 O ILE A 151 ? O ILE B 157 
AA2 1 2 N VAL A 53  ? N VAL B 59  O PHE A 167 ? O PHE B 173 
AA2 2 3 O ARG A 164 ? O ARG B 170 N CYS A 81  ? N CYS B 87  
AA2 3 4 N VAL A 80  ? N VAL B 86  O TRP A 100 ? O TRP B 106 
AA2 4 5 N TRP A 105 ? N TRP B 111 O SER A 108 ? O SER B 114 
AA2 5 6 N ALA A 111 ? N ALA B 117 O THR A 117 ? O THR B 123 
# 
_pdbx_entry_details.entry_id                   7HNL 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             CG 
_pdbx_validate_rmsd_angle.auth_asym_id_1             B 
_pdbx_validate_rmsd_angle.auth_comp_id_1             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_1              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CD 
_pdbx_validate_rmsd_angle.auth_asym_id_2             B 
_pdbx_validate_rmsd_angle.auth_comp_id_2             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_2              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             NE 
_pdbx_validate_rmsd_angle.auth_asym_id_3             B 
_pdbx_validate_rmsd_angle.auth_comp_id_3             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_3              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                124.67 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            12.87 
_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 SER B 67  ? B 178.08  159.95 
2 1 ASP B 152 ? ? -105.40 51.30  
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    B 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     428 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   G 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
_phasing.method   MR 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 B MET 7   ? A MET 1   
2 1 Y 1 B LYS 193 ? A LYS 187 
3 1 Y 1 B MET 194 ? A MET 188 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
EDO C1   C N N 88  
EDO O1   O N N 89  
EDO C2   C N N 90  
EDO O2   O N N 91  
EDO H11  H N N 92  
EDO H12  H N N 93  
EDO HO1  H N N 94  
EDO H21  H N N 95  
EDO H22  H N N 96  
EDO HO2  H N N 97  
EPE N1   N N N 98  
EPE C2   C N N 99  
EPE C3   C N N 100 
EPE N4   N N N 101 
EPE C5   C N N 102 
EPE C6   C N N 103 
EPE C7   C N N 104 
EPE C8   C N N 105 
EPE O8   O N N 106 
EPE C9   C N N 107 
EPE C10  C N N 108 
EPE S    S N N 109 
EPE O1S  O N N 110 
EPE O2S  O N N 111 
EPE O3S  O N N 112 
EPE H21  H N N 113 
EPE H22  H N N 114 
EPE H31  H N N 115 
EPE H32  H N N 116 
EPE H51  H N N 117 
EPE H52  H N N 118 
EPE H61  H N N 119 
EPE H62  H N N 120 
EPE H71  H N N 121 
EPE H72  H N N 122 
EPE H81  H N N 123 
EPE H82  H N N 124 
EPE HO8  H N N 125 
EPE H91  H N N 126 
EPE H92  H N N 127 
EPE H101 H N N 128 
EPE H102 H N N 129 
EPE HOS3 H N N 130 
GLN N    N N N 131 
GLN CA   C N S 132 
GLN C    C N N 133 
GLN O    O N N 134 
GLN CB   C N N 135 
GLN CG   C N N 136 
GLN CD   C N N 137 
GLN OE1  O N N 138 
GLN NE2  N N N 139 
GLN OXT  O N N 140 
GLN H    H N N 141 
GLN H2   H N N 142 
GLN HA   H N N 143 
GLN HB2  H N N 144 
GLN HB3  H N N 145 
GLN HG2  H N N 146 
GLN HG3  H N N 147 
GLN HE21 H N N 148 
GLN HE22 H N N 149 
GLN HXT  H N N 150 
GLU N    N N N 151 
GLU CA   C N S 152 
GLU C    C N N 153 
GLU O    O N N 154 
GLU CB   C N N 155 
GLU CG   C N N 156 
GLU CD   C N N 157 
GLU OE1  O N N 158 
GLU OE2  O N N 159 
GLU OXT  O N N 160 
GLU H    H N N 161 
GLU H2   H N N 162 
GLU HA   H N N 163 
GLU HB2  H N N 164 
GLU HB3  H N N 165 
GLU HG2  H N N 166 
GLU HG3  H N N 167 
GLU HE2  H N N 168 
GLU HXT  H N N 169 
GLY N    N N N 170 
GLY CA   C N N 171 
GLY C    C N N 172 
GLY O    O N N 173 
GLY OXT  O N N 174 
GLY H    H N N 175 
GLY H2   H N N 176 
GLY HA2  H N N 177 
GLY HA3  H N N 178 
GLY HXT  H N N 179 
HIS N    N N N 180 
HIS CA   C N S 181 
HIS C    C N N 182 
HIS O    O N N 183 
HIS CB   C N N 184 
HIS CG   C Y N 185 
HIS ND1  N Y N 186 
HIS CD2  C Y N 187 
HIS CE1  C Y N 188 
HIS NE2  N Y N 189 
HIS OXT  O N N 190 
HIS H    H N N 191 
HIS H2   H N N 192 
HIS HA   H N N 193 
HIS HB2  H N N 194 
HIS HB3  H N N 195 
HIS HD1  H N N 196 
HIS HD2  H N N 197 
HIS HE1  H N N 198 
HIS HE2  H N N 199 
HIS HXT  H N N 200 
HOH O    O N N 201 
HOH H1   H N N 202 
HOH H2   H N N 203 
ILE N    N N N 204 
ILE CA   C N S 205 
ILE C    C N N 206 
ILE O    O N N 207 
ILE CB   C N S 208 
ILE CG1  C N N 209 
ILE CG2  C N N 210 
ILE CD1  C N N 211 
ILE OXT  O N N 212 
ILE H    H N N 213 
ILE H2   H N N 214 
ILE HA   H N N 215 
ILE HB   H N N 216 
ILE HG12 H N N 217 
ILE HG13 H N N 218 
ILE HG21 H N N 219 
ILE HG22 H N N 220 
ILE HG23 H N N 221 
ILE HD11 H N N 222 
ILE HD12 H N N 223 
ILE HD13 H N N 224 
ILE HXT  H N N 225 
LEU N    N N N 226 
LEU CA   C N S 227 
LEU C    C N N 228 
LEU O    O N N 229 
LEU CB   C N N 230 
LEU CG   C N N 231 
LEU CD1  C N N 232 
LEU CD2  C N N 233 
LEU OXT  O N N 234 
LEU H    H N N 235 
LEU H2   H N N 236 
LEU HA   H N N 237 
LEU HB2  H N N 238 
LEU HB3  H N N 239 
LEU HG   H N N 240 
LEU HD11 H N N 241 
LEU HD12 H N N 242 
LEU HD13 H N N 243 
LEU HD21 H N N 244 
LEU HD22 H N N 245 
LEU HD23 H N N 246 
LEU HXT  H N N 247 
LYS N    N N N 248 
LYS CA   C N S 249 
LYS C    C N N 250 
LYS O    O N N 251 
LYS CB   C N N 252 
LYS CG   C N N 253 
LYS CD   C N N 254 
LYS CE   C N N 255 
LYS NZ   N N N 256 
LYS OXT  O N N 257 
LYS H    H N N 258 
LYS H2   H N N 259 
LYS HA   H N N 260 
LYS HB2  H N N 261 
LYS HB3  H N N 262 
LYS HG2  H N N 263 
LYS HG3  H N N 264 
LYS HD2  H N N 265 
LYS HD3  H N N 266 
LYS HE2  H N N 267 
LYS HE3  H N N 268 
LYS HZ1  H N N 269 
LYS HZ2  H N N 270 
LYS HZ3  H N N 271 
LYS HXT  H N N 272 
MET N    N N N 273 
MET CA   C N S 274 
MET C    C N N 275 
MET O    O N N 276 
MET CB   C N N 277 
MET CG   C N N 278 
MET SD   S N N 279 
MET CE   C N N 280 
MET OXT  O N N 281 
MET H    H N N 282 
MET H2   H N N 283 
MET HA   H N N 284 
MET HB2  H N N 285 
MET HB3  H N N 286 
MET HG2  H N N 287 
MET HG3  H N N 288 
MET HE1  H N N 289 
MET HE2  H N N 290 
MET HE3  H N N 291 
MET HXT  H N N 292 
PHE N    N N N 293 
PHE CA   C N S 294 
PHE C    C N N 295 
PHE O    O N N 296 
PHE CB   C N N 297 
PHE CG   C Y N 298 
PHE CD1  C Y N 299 
PHE CD2  C Y N 300 
PHE CE1  C Y N 301 
PHE CE2  C Y N 302 
PHE CZ   C Y N 303 
PHE OXT  O N N 304 
PHE H    H N N 305 
PHE H2   H N N 306 
PHE HA   H N N 307 
PHE HB2  H N N 308 
PHE HB3  H N N 309 
PHE HD1  H N N 310 
PHE HD2  H N N 311 
PHE HE1  H N N 312 
PHE HE2  H N N 313 
PHE HZ   H N N 314 
PHE HXT  H N N 315 
PRO N    N N N 316 
PRO CA   C N S 317 
PRO C    C N N 318 
PRO O    O N N 319 
PRO CB   C N N 320 
PRO CG   C N N 321 
PRO CD   C N N 322 
PRO OXT  O N N 323 
PRO H    H N N 324 
PRO HA   H N N 325 
PRO HB2  H N N 326 
PRO HB3  H N N 327 
PRO HG2  H N N 328 
PRO HG3  H N N 329 
PRO HD2  H N N 330 
PRO HD3  H N N 331 
PRO HXT  H N N 332 
RWS N1   N Y N 333 
RWS C4   C N N 334 
RWS C5   C N N 335 
RWS C6   C N N 336 
RWS C7   C N N 337 
RWS C    C N N 338 
RWS C1   C Y N 339 
RWS S    S Y N 340 
RWS C2   C Y N 341 
RWS N    N Y N 342 
RWS N2   N N N 343 
RWS C3   C N N 344 
RWS H1   H N N 345 
RWS H2   H N N 346 
RWS H3   H N N 347 
RWS H4   H N N 348 
RWS H5   H N N 349 
RWS H6   H N N 350 
RWS H7   H N N 351 
RWS H8   H N N 352 
RWS H9   H N N 353 
RWS H10  H N N 354 
RWS H11  H N N 355 
RWS H12  H N N 356 
RWS H13  H N N 357 
SER N    N N N 358 
SER CA   C N S 359 
SER C    C N N 360 
SER O    O N N 361 
SER CB   C N N 362 
SER OG   O N N 363 
SER OXT  O N N 364 
SER H    H N N 365 
SER H2   H N N 366 
SER HA   H N N 367 
SER HB2  H N N 368 
SER HB3  H N N 369 
SER HG   H N N 370 
SER HXT  H N N 371 
SO4 S    S N N 372 
SO4 O1   O N N 373 
SO4 O2   O N N 374 
SO4 O3   O N N 375 
SO4 O4   O N N 376 
THR N    N N N 377 
THR CA   C N S 378 
THR C    C N N 379 
THR O    O N N 380 
THR CB   C N R 381 
THR OG1  O N N 382 
THR CG2  C N N 383 
THR OXT  O N N 384 
THR H    H N N 385 
THR H2   H N N 386 
THR HA   H N N 387 
THR HB   H N N 388 
THR HG1  H N N 389 
THR HG21 H N N 390 
THR HG22 H N N 391 
THR HG23 H N N 392 
THR HXT  H N N 393 
TRP N    N N N 394 
TRP CA   C N S 395 
TRP C    C N N 396 
TRP O    O N N 397 
TRP CB   C N N 398 
TRP CG   C Y N 399 
TRP CD1  C Y N 400 
TRP CD2  C Y N 401 
TRP NE1  N Y N 402 
TRP CE2  C Y N 403 
TRP CE3  C Y N 404 
TRP CZ2  C Y N 405 
TRP CZ3  C Y N 406 
TRP CH2  C Y N 407 
TRP OXT  O N N 408 
TRP H    H N N 409 
TRP H2   H N N 410 
TRP HA   H N N 411 
TRP HB2  H N N 412 
TRP HB3  H N N 413 
TRP HD1  H N N 414 
TRP HE1  H N N 415 
TRP HE3  H N N 416 
TRP HZ2  H N N 417 
TRP HZ3  H N N 418 
TRP HH2  H N N 419 
TRP HXT  H N N 420 
TYR N    N N N 421 
TYR CA   C N S 422 
TYR C    C N N 423 
TYR O    O N N 424 
TYR CB   C N N 425 
TYR CG   C Y N 426 
TYR CD1  C Y N 427 
TYR CD2  C Y N 428 
TYR CE1  C Y N 429 
TYR CE2  C Y N 430 
TYR CZ   C Y N 431 
TYR OH   O N N 432 
TYR OXT  O N N 433 
TYR H    H N N 434 
TYR H2   H N N 435 
TYR HA   H N N 436 
TYR HB2  H N N 437 
TYR HB3  H N N 438 
TYR HD1  H N N 439 
TYR HD2  H N N 440 
TYR HE1  H N N 441 
TYR HE2  H N N 442 
TYR HH   H N N 443 
TYR HXT  H N N 444 
VAL N    N N N 445 
VAL CA   C N S 446 
VAL C    C N N 447 
VAL O    O N N 448 
VAL CB   C N N 449 
VAL CG1  C N N 450 
VAL CG2  C N N 451 
VAL OXT  O N N 452 
VAL H    H N N 453 
VAL H2   H N N 454 
VAL HA   H N N 455 
VAL HB   H N N 456 
VAL HG11 H N N 457 
VAL HG12 H N N 458 
VAL HG13 H N N 459 
VAL HG21 H N N 460 
VAL HG22 H N N 461 
VAL HG23 H N N 462 
VAL HXT  H N N 463 
# 
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  
EPE N1  C2   sing N N 92  
EPE N1  C6   sing N N 93  
EPE N1  C9   sing N N 94  
EPE C2  C3   sing N N 95  
EPE C2  H21  sing N N 96  
EPE C2  H22  sing N N 97  
EPE C3  N4   sing N N 98  
EPE C3  H31  sing N N 99  
EPE C3  H32  sing N N 100 
EPE N4  C5   sing N N 101 
EPE N4  C7   sing N N 102 
EPE C5  C6   sing N N 103 
EPE C5  H51  sing N N 104 
EPE C5  H52  sing N N 105 
EPE C6  H61  sing N N 106 
EPE C6  H62  sing N N 107 
EPE C7  C8   sing N N 108 
EPE C7  H71  sing N N 109 
EPE C7  H72  sing N N 110 
EPE C8  O8   sing N N 111 
EPE C8  H81  sing N N 112 
EPE C8  H82  sing N N 113 
EPE O8  HO8  sing N N 114 
EPE C9  C10  sing N N 115 
EPE C9  H91  sing N N 116 
EPE C9  H92  sing N N 117 
EPE C10 S    sing N N 118 
EPE C10 H101 sing N N 119 
EPE C10 H102 sing N N 120 
EPE S   O1S  doub N N 121 
EPE S   O2S  doub N N 122 
EPE S   O3S  sing N N 123 
EPE O3S HOS3 sing N N 124 
GLN N   CA   sing N N 125 
GLN N   H    sing N N 126 
GLN N   H2   sing N N 127 
GLN CA  C    sing N N 128 
GLN CA  CB   sing N N 129 
GLN CA  HA   sing N N 130 
GLN C   O    doub N N 131 
GLN C   OXT  sing N N 132 
GLN CB  CG   sing N N 133 
GLN CB  HB2  sing N N 134 
GLN CB  HB3  sing N N 135 
GLN CG  CD   sing N N 136 
GLN CG  HG2  sing N N 137 
GLN CG  HG3  sing N N 138 
GLN CD  OE1  doub N N 139 
GLN CD  NE2  sing N N 140 
GLN NE2 HE21 sing N N 141 
GLN NE2 HE22 sing N N 142 
GLN OXT HXT  sing N N 143 
GLU N   CA   sing N N 144 
GLU N   H    sing N N 145 
GLU N   H2   sing N N 146 
GLU CA  C    sing N N 147 
GLU CA  CB   sing N N 148 
GLU CA  HA   sing N N 149 
GLU C   O    doub N N 150 
GLU C   OXT  sing N N 151 
GLU CB  CG   sing N N 152 
GLU CB  HB2  sing N N 153 
GLU CB  HB3  sing N N 154 
GLU CG  CD   sing N N 155 
GLU CG  HG2  sing N N 156 
GLU CG  HG3  sing N N 157 
GLU CD  OE1  doub N N 158 
GLU CD  OE2  sing N N 159 
GLU OE2 HE2  sing N N 160 
GLU OXT HXT  sing N N 161 
GLY N   CA   sing N N 162 
GLY N   H    sing N N 163 
GLY N   H2   sing N N 164 
GLY CA  C    sing N N 165 
GLY CA  HA2  sing N N 166 
GLY CA  HA3  sing N N 167 
GLY C   O    doub N N 168 
GLY C   OXT  sing N N 169 
GLY OXT HXT  sing N N 170 
HIS N   CA   sing N N 171 
HIS N   H    sing N N 172 
HIS N   H2   sing N N 173 
HIS CA  C    sing N N 174 
HIS CA  CB   sing N N 175 
HIS CA  HA   sing N N 176 
HIS C   O    doub N N 177 
HIS C   OXT  sing N N 178 
HIS CB  CG   sing N N 179 
HIS CB  HB2  sing N N 180 
HIS CB  HB3  sing N N 181 
HIS CG  ND1  sing Y N 182 
HIS CG  CD2  doub Y N 183 
HIS ND1 CE1  doub Y N 184 
HIS ND1 HD1  sing N N 185 
HIS CD2 NE2  sing Y N 186 
HIS CD2 HD2  sing N N 187 
HIS CE1 NE2  sing Y N 188 
HIS CE1 HE1  sing N N 189 
HIS NE2 HE2  sing N N 190 
HIS OXT HXT  sing N N 191 
HOH O   H1   sing N N 192 
HOH O   H2   sing N N 193 
ILE N   CA   sing N N 194 
ILE N   H    sing N N 195 
ILE N   H2   sing N N 196 
ILE CA  C    sing N N 197 
ILE CA  CB   sing N N 198 
ILE CA  HA   sing N N 199 
ILE C   O    doub N N 200 
ILE C   OXT  sing N N 201 
ILE CB  CG1  sing N N 202 
ILE CB  CG2  sing N N 203 
ILE CB  HB   sing N N 204 
ILE CG1 CD1  sing N N 205 
ILE CG1 HG12 sing N N 206 
ILE CG1 HG13 sing N N 207 
ILE CG2 HG21 sing N N 208 
ILE CG2 HG22 sing N N 209 
ILE CG2 HG23 sing N N 210 
ILE CD1 HD11 sing N N 211 
ILE CD1 HD12 sing N N 212 
ILE CD1 HD13 sing N N 213 
ILE OXT HXT  sing N N 214 
LEU N   CA   sing N N 215 
LEU N   H    sing N N 216 
LEU N   H2   sing N N 217 
LEU CA  C    sing N N 218 
LEU CA  CB   sing N N 219 
LEU CA  HA   sing N N 220 
LEU C   O    doub N N 221 
LEU C   OXT  sing N N 222 
LEU CB  CG   sing N N 223 
LEU CB  HB2  sing N N 224 
LEU CB  HB3  sing N N 225 
LEU CG  CD1  sing N N 226 
LEU CG  CD2  sing N N 227 
LEU CG  HG   sing N N 228 
LEU CD1 HD11 sing N N 229 
LEU CD1 HD12 sing N N 230 
LEU CD1 HD13 sing N N 231 
LEU CD2 HD21 sing N N 232 
LEU CD2 HD22 sing N N 233 
LEU CD2 HD23 sing N N 234 
LEU OXT HXT  sing N N 235 
LYS N   CA   sing N N 236 
LYS N   H    sing N N 237 
LYS N   H2   sing N N 238 
LYS CA  C    sing N N 239 
LYS CA  CB   sing N N 240 
LYS CA  HA   sing N N 241 
LYS C   O    doub N N 242 
LYS C   OXT  sing N N 243 
LYS CB  CG   sing N N 244 
LYS CB  HB2  sing N N 245 
LYS CB  HB3  sing N N 246 
LYS CG  CD   sing N N 247 
LYS CG  HG2  sing N N 248 
LYS CG  HG3  sing N N 249 
LYS CD  CE   sing N N 250 
LYS CD  HD2  sing N N 251 
LYS CD  HD3  sing N N 252 
LYS CE  NZ   sing N N 253 
LYS CE  HE2  sing N N 254 
LYS CE  HE3  sing N N 255 
LYS NZ  HZ1  sing N N 256 
LYS NZ  HZ2  sing N N 257 
LYS NZ  HZ3  sing N N 258 
LYS OXT HXT  sing N N 259 
MET N   CA   sing N N 260 
MET N   H    sing N N 261 
MET N   H2   sing N N 262 
MET CA  C    sing N N 263 
MET CA  CB   sing N N 264 
MET CA  HA   sing N N 265 
MET C   O    doub N N 266 
MET C   OXT  sing N N 267 
MET CB  CG   sing N N 268 
MET CB  HB2  sing N N 269 
MET CB  HB3  sing N N 270 
MET CG  SD   sing N N 271 
MET CG  HG2  sing N N 272 
MET CG  HG3  sing N N 273 
MET SD  CE   sing N N 274 
MET CE  HE1  sing N N 275 
MET CE  HE2  sing N N 276 
MET CE  HE3  sing N N 277 
MET OXT HXT  sing N N 278 
PHE N   CA   sing N N 279 
PHE N   H    sing N N 280 
PHE N   H2   sing N N 281 
PHE CA  C    sing N N 282 
PHE CA  CB   sing N N 283 
PHE CA  HA   sing N N 284 
PHE C   O    doub N N 285 
PHE C   OXT  sing N N 286 
PHE CB  CG   sing N N 287 
PHE CB  HB2  sing N N 288 
PHE CB  HB3  sing N N 289 
PHE CG  CD1  doub Y N 290 
PHE CG  CD2  sing Y N 291 
PHE CD1 CE1  sing Y N 292 
PHE CD1 HD1  sing N N 293 
PHE CD2 CE2  doub Y N 294 
PHE CD2 HD2  sing N N 295 
PHE CE1 CZ   doub Y N 296 
PHE CE1 HE1  sing N N 297 
PHE CE2 CZ   sing Y N 298 
PHE CE2 HE2  sing N N 299 
PHE CZ  HZ   sing N N 300 
PHE OXT HXT  sing N N 301 
PRO N   CA   sing N N 302 
PRO N   CD   sing N N 303 
PRO N   H    sing N N 304 
PRO CA  C    sing N N 305 
PRO CA  CB   sing N N 306 
PRO CA  HA   sing N N 307 
PRO C   O    doub N N 308 
PRO C   OXT  sing N N 309 
PRO CB  CG   sing N N 310 
PRO CB  HB2  sing N N 311 
PRO CB  HB3  sing N N 312 
PRO CG  CD   sing N N 313 
PRO CG  HG2  sing N N 314 
PRO CG  HG3  sing N N 315 
PRO CD  HD2  sing N N 316 
PRO CD  HD3  sing N N 317 
PRO OXT HXT  sing N N 318 
RWS N1  N    sing Y N 319 
RWS N1  C2   doub Y N 320 
RWS N   C1   doub Y N 321 
RWS C7  C6   sing N N 322 
RWS C7  N2   sing N N 323 
RWS C6  C5   sing N N 324 
RWS C2  N2   sing N N 325 
RWS C2  S    sing Y N 326 
RWS N2  C3   sing N N 327 
RWS C1  C    sing N N 328 
RWS C1  S    sing Y N 329 
RWS C5  C4   sing N N 330 
RWS C3  C4   sing N N 331 
RWS C4  H1   sing N N 332 
RWS C4  H2   sing N N 333 
RWS C5  H3   sing N N 334 
RWS C5  H4   sing N N 335 
RWS C6  H5   sing N N 336 
RWS C6  H6   sing N N 337 
RWS C7  H7   sing N N 338 
RWS C7  H8   sing N N 339 
RWS C   H9   sing N N 340 
RWS C   H10  sing N N 341 
RWS C   H11  sing N N 342 
RWS C3  H12  sing N N 343 
RWS C3  H13  sing N N 344 
SER N   CA   sing N N 345 
SER N   H    sing N N 346 
SER N   H2   sing N N 347 
SER CA  C    sing N N 348 
SER CA  CB   sing N N 349 
SER CA  HA   sing N N 350 
SER C   O    doub N N 351 
SER C   OXT  sing N N 352 
SER CB  OG   sing N N 353 
SER CB  HB2  sing N N 354 
SER CB  HB3  sing N N 355 
SER OG  HG   sing N N 356 
SER OXT HXT  sing N N 357 
SO4 S   O1   doub N N 358 
SO4 S   O2   doub N N 359 
SO4 S   O3   sing N N 360 
SO4 S   O4   sing N N 361 
THR N   CA   sing N N 362 
THR N   H    sing N N 363 
THR N   H2   sing N N 364 
THR CA  C    sing N N 365 
THR CA  CB   sing N N 366 
THR CA  HA   sing N N 367 
THR C   O    doub N N 368 
THR C   OXT  sing N N 369 
THR CB  OG1  sing N N 370 
THR CB  CG2  sing N N 371 
THR CB  HB   sing N N 372 
THR OG1 HG1  sing N N 373 
THR CG2 HG21 sing N N 374 
THR CG2 HG22 sing N N 375 
THR CG2 HG23 sing N N 376 
THR OXT HXT  sing N N 377 
TRP N   CA   sing N N 378 
TRP N   H    sing N N 379 
TRP N   H2   sing N N 380 
TRP CA  C    sing N N 381 
TRP CA  CB   sing N N 382 
TRP CA  HA   sing N N 383 
TRP C   O    doub N N 384 
TRP C   OXT  sing N N 385 
TRP CB  CG   sing N N 386 
TRP CB  HB2  sing N N 387 
TRP CB  HB3  sing N N 388 
TRP CG  CD1  doub Y N 389 
TRP CG  CD2  sing Y N 390 
TRP CD1 NE1  sing Y N 391 
TRP CD1 HD1  sing N N 392 
TRP CD2 CE2  doub Y N 393 
TRP CD2 CE3  sing Y N 394 
TRP NE1 CE2  sing Y N 395 
TRP NE1 HE1  sing N N 396 
TRP CE2 CZ2  sing Y N 397 
TRP CE3 CZ3  doub Y N 398 
TRP CE3 HE3  sing N N 399 
TRP CZ2 CH2  doub Y N 400 
TRP CZ2 HZ2  sing N N 401 
TRP CZ3 CH2  sing Y N 402 
TRP CZ3 HZ3  sing N N 403 
TRP CH2 HH2  sing N N 404 
TRP OXT HXT  sing N N 405 
TYR N   CA   sing N N 406 
TYR N   H    sing N N 407 
TYR N   H2   sing N N 408 
TYR CA  C    sing N N 409 
TYR CA  CB   sing N N 410 
TYR CA  HA   sing N N 411 
TYR C   O    doub N N 412 
TYR C   OXT  sing N N 413 
TYR CB  CG   sing N N 414 
TYR CB  HB2  sing N N 415 
TYR CB  HB3  sing N N 416 
TYR CG  CD1  doub Y N 417 
TYR CG  CD2  sing Y N 418 
TYR CD1 CE1  sing Y N 419 
TYR CD1 HD1  sing N N 420 
TYR CD2 CE2  doub Y N 421 
TYR CD2 HD2  sing N N 422 
TYR CE1 CZ   doub Y N 423 
TYR CE1 HE1  sing N N 424 
TYR CE2 CZ   sing Y N 425 
TYR CE2 HE2  sing N N 426 
TYR CZ  OH   sing N N 427 
TYR OH  HH   sing N N 428 
TYR OXT HXT  sing N N 429 
VAL N   CA   sing N N 430 
VAL N   H    sing N N 431 
VAL N   H2   sing N N 432 
VAL CA  C    sing N N 433 
VAL CA  CB   sing N N 434 
VAL CA  HA   sing N N 435 
VAL C   O    doub N N 436 
VAL C   OXT  sing N N 437 
VAL CB  CG1  sing N N 438 
VAL CB  CG2  sing N N 439 
VAL CB  HB   sing N N 440 
VAL CG1 HG11 sing N N 441 
VAL CG1 HG12 sing N N 442 
VAL CG1 HG13 sing N N 443 
VAL CG2 HG21 sing N N 444 
VAL CG2 HG22 sing N N 445 
VAL CG2 HG23 sing N N 446 
VAL OXT HXT  sing N N 447 
# 
_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                    7HNL 
_atom_sites.fract_transf_matrix[1][1]   0.010490 
_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]   0.010490 
_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]   0.021855 
_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   ? -13.039 -13.360 -9.931  1.00 75.57 ? 8   HIS B N   1 
ATOM   2    C CA  . HIS A 1 2   ? -12.721 -13.734 -11.351 1.00 69.97 ? 8   HIS B CA  1 
ATOM   3    C C   . HIS A 1 2   ? -11.670 -12.771 -11.921 1.00 70.82 ? 8   HIS B C   1 
ATOM   4    O O   . HIS A 1 2   ? -11.717 -11.556 -11.596 1.00 74.95 ? 8   HIS B O   1 
ATOM   5    C CB  . HIS A 1 2   ? -14.002 -13.791 -12.209 1.00 63.02 ? 8   HIS B CB  1 
ATOM   6    C CG  . HIS A 1 2   ? -14.518 -12.474 -12.706 1.00 57.58 ? 8   HIS B CG  1 
ATOM   7    N ND1 . HIS A 1 2   ? -13.973 -11.823 -13.801 1.00 58.08 ? 8   HIS B ND1 1 
ATOM   8    C CD2 . HIS A 1 2   ? -15.555 -11.706 -12.302 1.00 54.47 ? 8   HIS B CD2 1 
ATOM   9    C CE1 . HIS A 1 2   ? -14.632 -10.702 -14.025 1.00 56.22 ? 8   HIS B CE1 1 
ATOM   10   N NE2 . HIS A 1 2   ? -15.614 -10.607 -13.127 1.00 50.68 ? 8   HIS B NE2 1 
ATOM   11   N N   . HIS A 1 3   ? -10.772 -13.296 -12.759 1.00 67.46 ? 9   HIS B N   1 
ATOM   12   C CA  . HIS A 1 3   ? -9.711  -12.530 -13.465 1.00 67.72 ? 9   HIS B CA  1 
ATOM   13   C C   . HIS A 1 3   ? -9.918  -12.634 -14.990 1.00 61.13 ? 9   HIS B C   1 
ATOM   14   O O   . HIS A 1 3   ? -8.904  -12.810 -15.702 1.00 58.63 ? 9   HIS B O   1 
ATOM   15   C CB  . HIS A 1 3   ? -8.338  -13.009 -12.947 1.00 75.06 ? 9   HIS B CB  1 
ATOM   16   C CG  . HIS A 1 3   ? -8.175  -12.859 -11.462 1.00 84.02 ? 9   HIS B CG  1 
ATOM   17   N ND1 . HIS A 1 3   ? -8.007  -11.621 -10.846 1.00 84.25 ? 9   HIS B ND1 1 
ATOM   18   C CD2 . HIS A 1 3   ? -8.164  -13.772 -10.464 1.00 86.00 ? 9   HIS B CD2 1 
ATOM   19   C CE1 . HIS A 1 3   ? -7.897  -11.785 -9.542  1.00 83.93 ? 9   HIS B CE1 1 
ATOM   20   N NE2 . HIS A 1 3   ? -7.986  -13.095 -9.281  1.00 85.50 ? 9   HIS B NE2 1 
ATOM   21   N N   . HIS A 1 4   ? -11.177 -12.503 -15.470 1.00 48.80 ? 10  HIS B N   1 
ATOM   22   C CA  . HIS A 1 4   ? -11.603 -12.671 -16.896 1.00 40.81 ? 10  HIS B CA  1 
ATOM   23   C C   . HIS A 1 4   ? -11.605 -11.327 -17.638 1.00 38.49 ? 10  HIS B C   1 
ATOM   24   O O   . HIS A 1 4   ? -11.760 -11.343 -18.876 1.00 34.93 ? 10  HIS B O   1 
ATOM   25   C CB  . HIS A 1 4   ? -13.003 -13.310 -17.011 1.00 35.74 ? 10  HIS B CB  1 
ATOM   26   C CG  . HIS A 1 4   ? -13.130 -14.660 -16.389 1.00 36.75 ? 10  HIS B CG  1 
ATOM   27   N ND1 . HIS A 1 4   ? -12.197 -15.672 -16.593 1.00 33.87 ? 10  HIS B ND1 1 
ATOM   28   C CD2 . HIS A 1 4   ? -14.095 -15.191 -15.610 1.00 33.11 ? 10  HIS B CD2 1 
ATOM   29   C CE1 . HIS A 1 4   ? -12.576 -16.757 -15.946 1.00 40.51 ? 10  HIS B CE1 1 
ATOM   30   N NE2 . HIS A 1 4   ? -13.749 -16.491 -15.343 1.00 36.28 ? 10  HIS B NE2 1 
ATOM   31   N N   . HIS A 1 5   ? -11.436 -10.207 -16.922 1.00 40.18 ? 11  HIS B N   1 
ATOM   32   C CA  . HIS A 1 5   ? -11.509 -8.812  -17.450 1.00 43.99 ? 11  HIS B CA  1 
ATOM   33   C C   . HIS A 1 5   ? -10.629 -8.619  -18.697 1.00 42.67 ? 11  HIS B C   1 
ATOM   34   O O   . HIS A 1 5   ? -11.067 -7.885  -19.612 1.00 46.74 ? 11  HIS B O   1 
ATOM   35   C CB  . HIS A 1 5   ? -11.141 -7.790  -16.361 1.00 51.99 ? 11  HIS B CB  1 
ATOM   36   C CG  . HIS A 1 5   ? -12.031 -7.851  -15.165 1.00 62.42 ? 11  HIS B CG  1 
ATOM   37   N ND1 . HIS A 1 5   ? -11.727 -8.634  -14.054 1.00 74.02 ? 11  HIS B ND1 1 
ATOM   38   C CD2 . HIS A 1 5   ? -13.218 -7.259  -14.902 1.00 67.01 ? 11  HIS B CD2 1 
ATOM   39   C CE1 . HIS A 1 5   ? -12.686 -8.510  -13.155 1.00 74.62 ? 11  HIS B CE1 1 
ATOM   40   N NE2 . HIS A 1 5   ? -13.616 -7.674  -13.653 1.00 72.73 ? 11  HIS B NE2 1 
ATOM   41   N N   . HIS A 1 6   ? -9.451  -9.256  -18.760 1.00 39.82 ? 12  HIS B N   1 
ATOM   42   C CA  . HIS A 1 6   ? -8.472  -9.110  -19.872 1.00 40.08 ? 12  HIS B CA  1 
ATOM   43   C C   . HIS A 1 6   ? -8.968  -9.767  -21.173 1.00 35.82 ? 12  HIS B C   1 
ATOM   44   O O   . HIS A 1 6   ? -8.340  -9.512  -22.208 1.00 36.94 ? 12  HIS B O   1 
ATOM   45   C CB  . HIS A 1 6   ? -7.088  -9.635  -19.452 1.00 47.32 ? 12  HIS B CB  1 
ATOM   46   C CG  . HIS A 1 6   ? -7.024  -11.100 -19.191 1.00 49.90 ? 12  HIS B CG  1 
ATOM   47   N ND1 . HIS A 1 6   ? -6.349  -11.971 -20.035 1.00 58.78 ? 12  HIS B ND1 1 
ATOM   48   C CD2 . HIS A 1 6   ? -7.506  -11.851 -18.177 1.00 52.72 ? 12  HIS B CD2 1 
ATOM   49   C CE1 . HIS A 1 6   ? -6.435  -13.200 -19.563 1.00 50.22 ? 12  HIS B CE1 1 
ATOM   50   N NE2 . HIS A 1 6   ? -7.144  -13.156 -18.427 1.00 56.93 ? 12  HIS B NE2 1 
ATOM   51   N N   . HIS A 1 7   ? -10.041 -10.576 -21.151 1.00 31.17 ? 13  HIS B N   1 
ATOM   52   C CA  . HIS A 1 7   ? -10.685 -11.132 -22.378 1.00 28.07 ? 13  HIS B CA  1 
ATOM   53   C C   . HIS A 1 7   ? -11.796 -10.204 -22.861 1.00 25.96 ? 13  HIS B C   1 
ATOM   54   O O   . HIS A 1 7   ? -12.616 -10.654 -23.692 1.00 21.32 ? 13  HIS B O   1 
ATOM   55   C CB  . HIS A 1 7   ? -11.275 -12.512 -22.123 1.00 27.43 ? 13  HIS B CB  1 
ATOM   56   C CG  . HIS A 1 7   ? -10.249 -13.491 -21.660 1.00 28.06 ? 13  HIS B CG  1 
ATOM   57   N ND1 . HIS A 1 7   ? -9.171  -13.821 -22.460 1.00 25.63 ? 13  HIS B ND1 1 
ATOM   58   C CD2 . HIS A 1 7   ? -10.124 -14.181 -20.503 1.00 28.27 ? 13  HIS B CD2 1 
ATOM   59   C CE1 . HIS A 1 7   ? -8.405  -14.678 -21.803 1.00 27.60 ? 13  HIS B CE1 1 
ATOM   60   N NE2 . HIS A 1 7   ? -8.965  -14.917 -20.596 1.00 30.25 ? 13  HIS B NE2 1 
ATOM   61   N N   . MET A 1 8   ? -11.840 -8.989  -22.331 1.00 25.55 ? 14  MET B N   1 
ATOM   62   C CA  . MET A 1 8   ? -12.868 -7.962  -22.657 1.00 29.24 ? 14  MET B CA  1 
ATOM   63   C C   . MET A 1 8   ? -12.991 -7.787  -24.183 1.00 28.63 ? 14  MET B C   1 
ATOM   64   O O   . MET A 1 8   ? -11.971 -7.659  -24.871 1.00 28.72 ? 14  MET B O   1 
ATOM   65   C CB  . MET A 1 8   ? -12.512 -6.631  -21.986 1.00 34.96 ? 14  MET B CB  1 
ATOM   66   C CG  . MET A 1 8   ? -13.523 -5.488  -22.189 1.00 40.90 ? 14  MET B CG  1 
ATOM   67   S SD  . MET A 1 8   ? -15.156 -5.711  -21.364 1.00 49.17 ? 14  MET B SD  1 
ATOM   68   C CE  . MET A 1 8   ? -14.853 -5.052  -19.726 1.00 41.73 ? 14  MET B CE  1 
ATOM   69   N N   . VAL A 1 9   ? -14.211 -7.810  -24.715 1.00 22.62 ? 15  VAL B N   1 
ATOM   70   C CA  . VAL A 1 9   ? -14.489 -7.568  -26.163 1.00 23.28 ? 15  VAL B CA  1 
ATOM   71   C C   . VAL A 1 9   ? -15.498 -6.407  -26.248 1.00 24.64 ? 15  VAL B C   1 
ATOM   72   O O   . VAL A 1 9   ? -16.345 -6.261  -25.339 1.00 23.45 ? 15  VAL B O   1 
ATOM   73   C CB  . VAL A 1 9   ? -14.995 -8.821  -26.910 1.00 25.62 ? 15  VAL B CB  1 
ATOM   74   C CG1 . VAL A 1 9   ? -13.935 -9.918  -26.950 1.00 28.53 ? 15  VAL B CG1 1 
ATOM   75   C CG2 . VAL A 1 9   ? -16.286 -9.351  -26.322 1.00 24.49 ? 15  VAL B CG2 1 
ATOM   76   N N   . HIS A 1 10  ? -15.417 -5.629  -27.320 1.00 25.30 ? 16  HIS B N   1 
ATOM   77   C CA  . HIS A 1 10  ? -16.297 -4.456  -27.557 1.00 23.29 ? 16  HIS B CA  1 
ATOM   78   C C   . HIS A 1 10  ? -17.537 -4.952  -28.302 1.00 23.23 ? 16  HIS B C   1 
ATOM   79   O O   . HIS A 1 10  ? -17.411 -5.357  -29.475 1.00 26.15 ? 16  HIS B O   1 
ATOM   80   C CB  . HIS A 1 10  ? -15.548 -3.402  -28.358 1.00 24.84 ? 16  HIS B CB  1 
ATOM   81   C CG  . HIS A 1 10  ? -16.298 -2.117  -28.495 1.00 29.01 ? 16  HIS B CG  1 
ATOM   82   N ND1 . HIS A 1 10  ? -16.389 -1.202  -27.463 1.00 33.54 ? 16  HIS B ND1 1 
ATOM   83   C CD2 . HIS A 1 10  ? -17.036 -1.619  -29.515 1.00 33.00 ? 16  HIS B CD2 1 
ATOM   84   C CE1 . HIS A 1 10  ? -17.115 -0.166  -27.861 1.00 32.67 ? 16  HIS B CE1 1 
ATOM   85   N NE2 . HIS A 1 10  ? -17.522 -0.396  -29.121 1.00 35.94 ? 16  HIS B NE2 1 
ATOM   86   N N   . ILE A 1 11  ? -18.674 -5.059  -27.612 1.00 19.44 ? 17  ILE B N   1 
ATOM   87   C CA  . ILE A 1 11  ? -19.937 -5.553  -28.216 1.00 19.49 ? 17  ILE B CA  1 
ATOM   88   C C   . ILE A 1 11  ? -20.747 -4.355  -28.733 1.00 18.85 ? 17  ILE B C   1 
ATOM   89   O O   . ILE A 1 11  ? -20.736 -3.321  -28.103 1.00 21.01 ? 17  ILE B O   1 
ATOM   90   C CB  . ILE A 1 11  ? -20.764 -6.379  -27.216 1.00 19.13 ? 17  ILE B CB  1 
ATOM   91   C CG1 . ILE A 1 11  ? -19.965 -7.574  -26.675 1.00 21.66 ? 17  ILE B CG1 1 
ATOM   92   C CG2 . ILE A 1 11  ? -22.081 -6.805  -27.866 1.00 19.10 ? 17  ILE B CG2 1 
ATOM   93   C CD1 . ILE A 1 11  ? -19.397 -8.478  -27.742 1.00 22.67 ? 17  ILE B CD1 1 
ATOM   94   N N   . THR A 1 12  ? -21.340 -4.518  -29.908 1.00 19.62 ? 18  THR B N   1 
ATOM   95   C CA  . THR A 1 12  ? -22.323 -3.550  -30.460 1.00 19.93 ? 18  THR B CA  1 
ATOM   96   C C   . THR A 1 12  ? -23.583 -4.325  -30.840 1.00 20.79 ? 18  THR B C   1 
ATOM   97   O O   . THR A 1 12  ? -23.504 -5.538  -31.128 1.00 19.77 ? 18  THR B O   1 
ATOM   98   C CB  . THR A 1 12  ? -21.740 -2.756  -31.628 1.00 21.81 ? 18  THR B CB  1 
ATOM   99   O OG1 . THR A 1 12  ? -21.400 -3.665  -32.665 1.00 22.17 ? 18  THR B OG1 1 
ATOM   100  C CG2 . THR A 1 12  ? -20.536 -1.913  -31.250 1.00 24.26 ? 18  THR B CG2 1 
ATOM   101  N N   . LEU A 1 13  ? -24.721 -3.648  -30.859 1.00 17.69 ? 19  LEU B N   1 
ATOM   102  C CA  . LEU A 1 13  ? -26.027 -4.285  -31.139 1.00 18.78 ? 19  LEU B CA  1 
ATOM   103  C C   . LEU A 1 13  ? -26.286 -4.264  -32.648 1.00 19.93 ? 19  LEU B C   1 
ATOM   104  O O   . LEU A 1 13  ? -25.950 -3.262  -33.307 1.00 19.86 ? 19  LEU B O   1 
ATOM   105  C CB  . LEU A 1 13  ? -27.088 -3.521  -30.345 1.00 18.57 ? 19  LEU B CB  1 
ATOM   106  C CG  . LEU A 1 13  ? -26.854 -3.575  -28.852 1.00 20.41 ? 19  LEU B CG  1 
ATOM   107  C CD1 . LEU A 1 13  ? -27.798 -2.657  -28.099 1.00 20.40 ? 19  LEU B CD1 1 
ATOM   108  C CD2 . LEU A 1 13  ? -26.936 -5.017  -28.350 1.00 19.86 ? 19  LEU B CD2 1 
ATOM   109  N N   . ASP A 1 14  ? -26.907 -5.322  -33.144 1.00 18.71 ? 20  ASP B N   1 
ATOM   110  C CA  . ASP A 1 14  ? -27.270 -5.484  -34.575 1.00 19.73 ? 20  ASP B CA  1 
ATOM   111  C C   . ASP A 1 14  ? -28.741 -5.055  -34.739 1.00 19.97 ? 20  ASP B C   1 
ATOM   112  O O   . ASP A 1 14  ? -29.635 -5.859  -34.443 1.00 18.03 ? 20  ASP B O   1 
ATOM   113  C CB  . ASP A 1 14  ? -26.996 -6.918  -35.022 1.00 19.58 ? 20  ASP B CB  1 
ATOM   114  C CG  . ASP A 1 14  ? -27.286 -7.186  -36.491 1.00 24.16 ? 20  ASP B CG  1 
ATOM   115  O OD1 . ASP A 1 14  ? -27.879 -6.302  -37.136 1.00 22.74 ? 20  ASP B OD1 1 
ATOM   116  O OD2 . ASP A 1 14  ? -26.927 -8.279  -36.965 1.00 23.72 ? 20  ASP B OD2 1 
ATOM   117  N N   A ARG A 1 15  ? -28.952 -3.821  -35.220 0.25 19.86 ? 21  ARG B N   1 
ATOM   118  N N   B ARG A 1 15  ? -28.963 -3.825  -35.223 0.25 21.26 ? 21  ARG B N   1 
ATOM   119  C CA  A ARG A 1 15  ? -30.280 -3.200  -35.502 0.25 21.48 ? 21  ARG B CA  1 
ATOM   120  C CA  B ARG A 1 15  ? -30.308 -3.220  -35.454 0.25 23.87 ? 21  ARG B CA  1 
ATOM   121  C C   A ARG A 1 15  ? -31.187 -4.163  -36.272 0.25 20.87 ? 21  ARG B C   1 
ATOM   122  C C   B ARG A 1 15  ? -31.197 -4.161  -36.275 0.25 22.21 ? 21  ARG B C   1 
ATOM   123  O O   A ARG A 1 15  ? -32.406 -4.154  -36.032 0.25 19.95 ? 21  ARG B O   1 
ATOM   124  O O   B ARG A 1 15  ? -32.421 -4.144  -36.065 0.25 21.03 ? 21  ARG B O   1 
ATOM   125  C CB  A ARG A 1 15  ? -30.114 -1.940  -36.361 0.25 21.93 ? 21  ARG B CB  1 
ATOM   126  C CB  B ARG A 1 15  ? -30.192 -1.887  -36.205 0.25 26.78 ? 21  ARG B CB  1 
ATOM   127  C CG  A ARG A 1 15  ? -29.316 -0.831  -35.692 0.25 23.98 ? 21  ARG B CG  1 
ATOM   128  C CG  B ARG A 1 15  ? -29.734 -0.713  -35.351 0.25 30.91 ? 21  ARG B CG  1 
ATOM   129  C CD  A ARG A 1 15  ? -29.150 0.412   -36.556 0.25 23.86 ? 21  ARG B CD  1 
ATOM   130  C CD  B ARG A 1 15  ? -28.224 -0.526  -35.409 0.25 34.83 ? 21  ARG B CD  1 
ATOM   131  N NE  A ARG A 1 15  ? -28.576 1.469   -35.741 0.25 23.22 ? 21  ARG B NE  1 
ATOM   132  N NE  B ARG A 1 15  ? -27.750 0.478   -36.364 0.25 37.07 ? 21  ARG B NE  1 
ATOM   133  C CZ  A ARG A 1 15  ? -29.243 2.075   -34.775 0.25 22.29 ? 21  ARG B CZ  1 
ATOM   134  C CZ  B ARG A 1 15  ? -27.376 0.233   -37.619 0.25 38.99 ? 21  ARG B CZ  1 
ATOM   135  N NH1 A ARG A 1 15  ? -30.498 1.736   -34.560 0.25 23.11 ? 21  ARG B NH1 1 
ATOM   136  N NH1 B ARG A 1 15  ? -27.436 -0.988  -38.120 0.25 40.34 ? 21  ARG B NH1 1 
ATOM   137  N NH2 A ARG A 1 15  ? -28.664 3.001   -34.038 0.25 21.56 ? 21  ARG B NH2 1 
ATOM   138  N NH2 B ARG A 1 15  ? -26.942 1.220   -38.378 0.25 41.57 ? 21  ARG B NH2 1 
ATOM   139  N N   . ASN A 1 16  ? -30.613 -4.930  -37.201 1.00 21.91 ? 22  ASN B N   1 
ATOM   140  C CA  . ASN A 1 16  ? -31.392 -5.788  -38.128 1.00 22.00 ? 22  ASN B CA  1 
ATOM   141  C C   . ASN A 1 16  ? -32.051 -6.958  -37.406 1.00 20.83 ? 22  ASN B C   1 
ATOM   142  O O   . ASN A 1 16  ? -33.071 -7.445  -37.914 1.00 19.94 ? 22  ASN B O   1 
ATOM   143  C CB  . ASN A 1 16  ? -30.529 -6.256  -39.299 1.00 28.02 ? 22  ASN B CB  1 
ATOM   144  C CG  . ASN A 1 16  ? -30.343 -5.141  -40.300 1.00 32.64 ? 22  ASN B CG  1 
ATOM   145  O OD1 . ASN A 1 16  ? -31.099 -4.171  -40.306 1.00 38.78 ? 22  ASN B OD1 1 
ATOM   146  N ND2 . ASN A 1 16  ? -29.325 -5.261  -41.135 1.00 43.70 ? 22  ASN B ND2 1 
ATOM   147  N N   . THR A 1 17  ? -31.521 -7.369  -36.240 1.00 16.90 ? 23  THR B N   1 
ATOM   148  C CA  . THR A 1 17  ? -32.104 -8.471  -35.454 1.00 18.04 ? 23  THR B CA  1 
ATOM   149  C C   . THR A 1 17  ? -33.128 -7.961  -34.442 1.00 16.99 ? 23  THR B C   1 
ATOM   150  O O   . THR A 1 17  ? -33.797 -8.799  -33.851 1.00 16.81 ? 23  THR B O   1 
ATOM   151  C CB  . THR A 1 17  ? -31.027 -9.263  -34.708 1.00 17.09 ? 23  THR B CB  1 
ATOM   152  O OG1 . THR A 1 17  ? -30.451 -8.393  -33.739 1.00 17.30 ? 23  THR B OG1 1 
ATOM   153  C CG2 . THR A 1 17  ? -29.996 -9.839  -35.655 1.00 19.27 ? 23  THR B CG2 1 
ATOM   154  N N   . ALA A 1 18  ? -33.193 -6.653  -34.182 1.00 16.52 ? 24  ALA B N   1 
ATOM   155  C CA  . ALA A 1 18  ? -34.015 -6.118  -33.069 1.00 16.32 ? 24  ALA B CA  1 
ATOM   156  C C   . ALA A 1 18  ? -35.513 -6.290  -33.375 1.00 17.95 ? 24  ALA B C   1 
ATOM   157  O O   . ALA A 1 18  ? -35.964 -6.038  -34.505 1.00 17.34 ? 24  ALA B O   1 
ATOM   158  C CB  . ALA A 1 18  ? -33.702 -4.664  -32.835 1.00 18.56 ? 24  ALA B CB  1 
ATOM   159  N N   . ASN A 1 19  ? -36.289 -6.641  -32.363 1.00 17.26 ? 25  ASN B N   1 
ATOM   160  C CA  . ASN A 1 19  ? -37.751 -6.409  -32.328 1.00 16.18 ? 25  ASN B CA  1 
ATOM   161  C C   . ASN A 1 19  ? -38.050 -4.969  -32.781 1.00 14.71 ? 25  ASN B C   1 
ATOM   162  O O   . ASN A 1 19  ? -37.293 -4.017  -32.466 1.00 14.97 ? 25  ASN B O   1 
ATOM   163  C CB  . ASN A 1 19  ? -38.269 -6.737  -30.926 1.00 17.13 ? 25  ASN B CB  1 
ATOM   164  C CG  . ASN A 1 19  ? -39.744 -6.509  -30.824 1.00 19.93 ? 25  ASN B CG  1 
ATOM   165  O OD1 . ASN A 1 19  ? -40.178 -5.389  -30.617 1.00 18.90 ? 25  ASN B OD1 1 
ATOM   166  N ND2 . ASN A 1 19  ? -40.505 -7.554  -31.046 1.00 24.39 ? 25  ASN B ND2 1 
ATOM   167  N N   . SER A 1 20  ? -39.113 -4.824  -33.549 1.00 15.70 ? 26  SER B N   1 
ATOM   168  C CA  . SER A 1 20  ? -39.456 -3.557  -34.235 1.00 16.96 ? 26  SER B CA  1 
ATOM   169  C C   . SER A 1 20  ? -39.829 -2.452  -33.241 1.00 16.76 ? 26  SER B C   1 
ATOM   170  O O   . SER A 1 20  ? -39.933 -1.303  -33.713 1.00 17.81 ? 26  SER B O   1 
ATOM   171  C CB  . SER A 1 20  ? -40.582 -3.796  -35.192 1.00 17.92 ? 26  SER B CB  1 
ATOM   172  O OG  . SER A 1 20  ? -41.702 -4.218  -34.433 1.00 20.73 ? 26  SER B OG  1 
ATOM   173  N N   . TRP A 1 21  ? -40.002 -2.731  -31.941 1.00 15.29 ? 27  TRP B N   1 
ATOM   174  C CA  . TRP A 1 21  ? -40.318 -1.710  -30.919 1.00 14.67 ? 27  TRP B CA  1 
ATOM   175  C C   . TRP A 1 21  ? -39.057 -1.189  -30.222 1.00 17.01 ? 27  TRP B C   1 
ATOM   176  O O   . TRP A 1 21  ? -39.181 -0.290  -29.402 1.00 17.11 ? 27  TRP B O   1 
ATOM   177  C CB  . TRP A 1 21  ? -41.317 -2.227  -29.919 1.00 15.63 ? 27  TRP B CB  1 
ATOM   178  C CG  . TRP A 1 21  ? -42.695 -2.359  -30.472 1.00 16.97 ? 27  TRP B CG  1 
ATOM   179  C CD1 . TRP A 1 21  ? -43.084 -2.884  -31.669 1.00 17.56 ? 27  TRP B CD1 1 
ATOM   180  C CD2 . TRP A 1 21  ? -43.885 -1.922  -29.810 1.00 19.78 ? 27  TRP B CD2 1 
ATOM   181  N NE1 . TRP A 1 21  ? -44.451 -2.827  -31.799 1.00 20.06 ? 27  TRP B NE1 1 
ATOM   182  C CE2 . TRP A 1 21  ? -44.967 -2.268  -30.652 1.00 19.22 ? 27  TRP B CE2 1 
ATOM   183  C CE3 . TRP A 1 21  ? -44.124 -1.321  -28.571 1.00 20.92 ? 27  TRP B CE3 1 
ATOM   184  C CZ2 . TRP A 1 21  ? -46.286 -1.978  -30.294 1.00 23.75 ? 27  TRP B CZ2 1 
ATOM   185  C CZ3 . TRP A 1 21  ? -45.433 -1.032  -28.217 1.00 22.68 ? 27  TRP B CZ3 1 
ATOM   186  C CH2 . TRP A 1 21  ? -46.490 -1.386  -29.062 1.00 21.72 ? 27  TRP B CH2 1 
ATOM   187  N N   . LEU A 1 22  ? -37.873 -1.772  -30.489 1.00 17.22 ? 28  LEU B N   1 
ATOM   188  C CA  . LEU A 1 22  ? -36.651 -1.381  -29.746 1.00 16.66 ? 28  LEU B CA  1 
ATOM   189  C C   . LEU A 1 22  ? -36.039 -0.122  -30.379 1.00 17.92 ? 28  LEU B C   1 
ATOM   190  O O   . LEU A 1 22  ? -36.089 0.084   -31.626 1.00 15.67 ? 28  LEU B O   1 
ATOM   191  C CB  . LEU A 1 22  ? -35.643 -2.541  -29.754 1.00 16.19 ? 28  LEU B CB  1 
ATOM   192  C CG  . LEU A 1 22  ? -36.061 -3.821  -29.044 1.00 17.47 ? 28  LEU B CG  1 
ATOM   193  C CD1 . LEU A 1 22  ? -34.943 -4.850  -29.085 1.00 16.89 ? 28  LEU B CD1 1 
ATOM   194  C CD2 . LEU A 1 22  ? -36.499 -3.569  -27.628 1.00 17.16 ? 28  LEU B CD2 1 
ATOM   195  N N   . ILE A 1 23  ? -35.384 0.650   -29.541 1.00 17.49 ? 29  ILE B N   1 
ATOM   196  C CA  . ILE A 1 23  ? -34.628 1.857   -29.933 1.00 17.87 ? 29  ILE B CA  1 
ATOM   197  C C   . ILE A 1 23  ? -33.194 1.627   -29.486 1.00 17.28 ? 29  ILE B C   1 
ATOM   198  O O   . ILE A 1 23  ? -32.949 1.529   -28.264 1.00 17.76 ? 29  ILE B O   1 
ATOM   199  C CB  . ILE A 1 23  ? -35.228 3.113   -29.282 1.00 18.51 ? 29  ILE B CB  1 
ATOM   200  C CG1 . ILE A 1 23  ? -36.716 3.300   -29.629 1.00 17.78 ? 29  ILE B CG1 1 
ATOM   201  C CG2 . ILE A 1 23  ? -34.382 4.326   -29.651 1.00 20.57 ? 29  ILE B CG2 1 
ATOM   202  C CD1 . ILE A 1 23  ? -37.392 4.357   -28.823 1.00 17.10 ? 29  ILE B CD1 1 
ATOM   203  N N   . ILE A 1 24  ? -32.297 1.576   -30.455 1.00 21.07 ? 30  ILE B N   1 
ATOM   204  C CA  . ILE A 1 24  ? -30.838 1.406   -30.236 1.00 20.75 ? 30  ILE B CA  1 
ATOM   205  C C   . ILE A 1 24  ? -30.160 2.754   -30.412 1.00 23.38 ? 30  ILE B C   1 
ATOM   206  O O   . ILE A 1 24  ? -30.498 3.500   -31.370 1.00 21.69 ? 30  ILE B O   1 
ATOM   207  C CB  . ILE A 1 24  ? -30.300 0.344   -31.192 1.00 21.38 ? 30  ILE B CB  1 
ATOM   208  C CG1 . ILE A 1 24  ? -30.916 -1.008  -30.847 1.00 22.89 ? 30  ILE B CG1 1 
ATOM   209  C CG2 . ILE A 1 24  ? -28.775 0.324   -31.173 1.00 21.15 ? 30  ILE B CG2 1 
ATOM   210  C CD1 . ILE A 1 24  ? -30.689 -2.028  -31.837 1.00 23.75 ? 30  ILE B CD1 1 
ATOM   211  N N   . SER A 1 25  ? -29.255 3.083   -29.497 1.00 20.72 ? 31  SER B N   1 
ATOM   212  C CA  . SER A 1 25  ? -28.550 4.369   -29.532 1.00 20.87 ? 31  SER B CA  1 
ATOM   213  C C   . SER A 1 25  ? -27.664 4.444   -30.787 1.00 21.15 ? 31  SER B C   1 
ATOM   214  O O   . SER A 1 25  ? -27.301 3.406   -31.375 1.00 21.26 ? 31  SER B O   1 
ATOM   215  C CB  . SER A 1 25  ? -27.751 4.557   -28.273 1.00 21.43 ? 31  SER B CB  1 
ATOM   216  O OG  . SER A 1 25  ? -26.862 3.457   -28.134 1.00 21.76 ? 31  SER B OG  1 
ATOM   217  N N   . LYS A 1 26  ? -27.236 5.667   -31.138 1.00 23.73 ? 32  LYS B N   1 
ATOM   218  C CA  . LYS A 1 26  ? -26.374 5.911   -32.319 1.00 24.95 ? 32  LYS B CA  1 
ATOM   219  C C   . LYS A 1 26  ? -25.098 5.069   -32.209 1.00 23.81 ? 32  LYS B C   1 
ATOM   220  O O   . LYS A 1 26  ? -24.640 4.600   -33.257 1.00 24.94 ? 32  LYS B O   1 
ATOM   221  C CB  . LYS A 1 26  ? -26.033 7.402   -32.418 1.00 26.53 ? 32  LYS B CB  1 
ATOM   222  C CG  . LYS A 1 26  ? -25.092 7.745   -33.559 1.00 30.91 ? 32  LYS B CG  1 
ATOM   223  C CD  . LYS A 1 26  ? -25.162 9.198   -33.970 1.00 33.10 ? 32  LYS B CD  1 
ATOM   224  C CE  . LYS A 1 26  ? -24.622 10.109  -32.888 1.00 37.88 ? 32  LYS B CE  1 
ATOM   225  N NZ  . LYS A 1 26  ? -25.413 11.343  -32.817 1.00 42.53 ? 32  LYS B NZ  1 
ATOM   226  N N   . ASP A 1 27  ? -24.507 4.956   -31.008 1.00 24.10 ? 33  ASP B N   1 
ATOM   227  C CA  . ASP A 1 27  ? -23.232 4.200   -30.825 1.00 22.28 ? 33  ASP B CA  1 
ATOM   228  C C   . ASP A 1 27  ? -23.478 2.680   -30.809 1.00 21.78 ? 33  ASP B C   1 
ATOM   229  O O   . ASP A 1 27  ? -22.479 1.912   -30.704 1.00 20.82 ? 33  ASP B O   1 
ATOM   230  C CB  . ASP A 1 27  ? -22.464 4.723   -29.602 1.00 23.77 ? 33  ASP B CB  1 
ATOM   231  C CG  . ASP A 1 27  ? -23.135 4.452   -28.262 1.00 24.19 ? 33  ASP B CG  1 
ATOM   232  O OD1 . ASP A 1 27  ? -24.223 3.802   -28.251 1.00 24.39 ? 33  ASP B OD1 1 
ATOM   233  O OD2 . ASP A 1 27  ? -22.537 4.852   -27.230 1.00 27.93 ? 33  ASP B OD2 1 
ATOM   234  N N   . ARG A 1 28  ? -24.731 2.227   -30.897 1.00 20.07 ? 34  ARG B N   1 
ATOM   235  C CA  . ARG A 1 28  ? -25.110 0.784   -30.889 1.00 19.69 ? 34  ARG B CA  1 
ATOM   236  C C   . ARG A 1 28  ? -24.659 0.114   -29.570 1.00 16.78 ? 34  ARG B C   1 
ATOM   237  O O   . ARG A 1 28  ? -24.448 -1.100  -29.562 1.00 19.01 ? 34  ARG B O   1 
ATOM   238  C CB  . ARG A 1 28  ? -24.596 0.111   -32.173 1.00 23.91 ? 34  ARG B CB  1 
ATOM   239  C CG  . ARG A 1 28  ? -25.231 0.693   -33.434 1.00 27.70 ? 34  ARG B CG  1 
ATOM   240  C CD  . ARG A 1 28  ? -24.800 0.106   -34.751 1.00 36.14 ? 34  ARG B CD  1 
ATOM   241  N NE  . ARG A 1 28  ? -23.367 -0.052  -34.879 1.00 45.49 ? 34  ARG B NE  1 
ATOM   242  C CZ  . ARG A 1 28  ? -22.689 -1.208  -34.768 1.00 59.64 ? 34  ARG B CZ  1 
ATOM   243  N NH1 . ARG A 1 28  ? -23.300 -2.370  -34.524 1.00 56.85 ? 34  ARG B NH1 1 
ATOM   244  N NH2 . ARG A 1 28  ? -21.371 -1.185  -34.920 1.00 66.22 ? 34  ARG B NH2 1 
ATOM   245  N N   . ARG A 1 29  ? -24.611 0.852   -28.465 1.00 17.12 ? 35  ARG B N   1 
ATOM   246  C CA  . ARG A 1 29  ? -24.224 0.306   -27.136 1.00 18.29 ? 35  ARG B CA  1 
ATOM   247  C C   . ARG A 1 29  ? -25.388 0.312   -26.141 1.00 19.40 ? 35  ARG B C   1 
ATOM   248  O O   . ARG A 1 29  ? -25.208 -0.251  -25.025 1.00 18.57 ? 35  ARG B O   1 
ATOM   249  C CB  . ARG A 1 29  ? -23.031 1.082   -26.583 1.00 19.58 ? 35  ARG B CB  1 
ATOM   250  C CG  . ARG A 1 29  ? -21.839 0.958   -27.516 1.00 22.41 ? 35  ARG B CG  1 
ATOM   251  C CD  . ARG A 1 29  ? -20.921 -0.196  -27.221 1.00 23.92 ? 35  ARG B CD  1 
ATOM   252  N NE  . ARG A 1 29  ? -20.157 0.008   -25.988 1.00 25.78 ? 35  ARG B NE  1 
ATOM   253  C CZ  . ARG A 1 29  ? -19.456 -0.966  -25.392 1.00 24.24 ? 35  ARG B CZ  1 
ATOM   254  N NH1 . ARG A 1 29  ? -19.402 -2.155  -25.954 1.00 25.13 ? 35  ARG B NH1 1 
ATOM   255  N NH2 . ARG A 1 29  ? -18.782 -0.735  -24.273 1.00 25.30 ? 35  ARG B NH2 1 
ATOM   256  N N   . GLN A 1 30  ? -26.521 0.945   -26.466 1.00 17.46 ? 36  GLN B N   1 
ATOM   257  C CA  . GLN A 1 30  ? -27.692 0.989   -25.558 1.00 17.15 ? 36  GLN B CA  1 
ATOM   258  C C   . GLN A 1 30  ? -28.958 0.592   -26.322 1.00 16.48 ? 36  GLN B C   1 
ATOM   259  O O   . GLN A 1 30  ? -29.065 0.863   -27.553 1.00 16.78 ? 36  GLN B O   1 
ATOM   260  C CB  . GLN A 1 30  ? -27.908 2.380   -24.938 1.00 19.24 ? 36  GLN B CB  1 
ATOM   261  C CG  . GLN A 1 30  ? -26.649 2.968   -24.341 1.00 24.88 ? 36  GLN B CG  1 
ATOM   262  C CD  . GLN A 1 30  ? -26.989 4.212   -23.564 1.00 27.63 ? 36  GLN B CD  1 
ATOM   263  O OE1 . GLN A 1 30  ? -28.125 4.431   -23.151 1.00 30.88 ? 36  GLN B OE1 1 
ATOM   264  N NE2 . GLN A 1 30  ? -25.974 4.999   -23.320 1.00 32.51 ? 36  GLN B NE2 1 
ATOM   265  N N   . VAL A 1 31  ? -29.889 -0.020  -25.604 1.00 15.56 ? 37  VAL B N   1 
ATOM   266  C CA  . VAL A 1 31  ? -31.192 -0.418  -26.200 1.00 16.52 ? 37  VAL B CA  1 
ATOM   267  C C   . VAL A 1 31  ? -32.267 -0.273  -25.120 1.00 16.34 ? 37  VAL B C   1 
ATOM   268  O O   . VAL A 1 31  ? -32.030 -0.631  -23.971 1.00 15.80 ? 37  VAL B O   1 
ATOM   269  C CB  . VAL A 1 31  ? -31.126 -1.818  -26.852 1.00 15.93 ? 37  VAL B CB  1 
ATOM   270  C CG1 . VAL A 1 31  ? -30.693 -2.937  -25.895 1.00 17.23 ? 37  VAL B CG1 1 
ATOM   271  C CG2 . VAL A 1 31  ? -32.431 -2.181  -27.552 1.00 17.67 ? 37  VAL B CG2 1 
ATOM   272  N N   . ARG A 1 32  ? -33.435 0.209   -25.529 1.00 16.61 ? 38  ARG B N   1 
ATOM   273  C CA  . ARG A 1 32  ? -34.623 0.279   -24.664 1.00 17.79 ? 38  ARG B CA  1 
ATOM   274  C C   . ARG A 1 32  ? -35.862 -0.021  -25.505 1.00 17.62 ? 38  ARG B C   1 
ATOM   275  O O   . ARG A 1 32  ? -35.816 0.081   -26.753 1.00 15.87 ? 38  ARG B O   1 
ATOM   276  C CB  . ARG A 1 32  ? -34.742 1.646   -23.989 1.00 17.70 ? 38  ARG B CB  1 
ATOM   277  C CG  . ARG A 1 32  ? -35.088 2.788   -24.930 1.00 20.55 ? 38  ARG B CG  1 
ATOM   278  C CD  . ARG A 1 32  ? -35.043 4.095   -24.146 1.00 22.61 ? 38  ARG B CD  1 
ATOM   279  N NE  . ARG A 1 32  ? -35.308 5.221   -25.016 1.00 26.05 ? 38  ARG B NE  1 
ATOM   280  C CZ  . ARG A 1 32  ? -36.495 5.689   -25.361 1.00 27.06 ? 38  ARG B CZ  1 
ATOM   281  N NH1 . ARG A 1 32  ? -37.617 5.134   -24.926 1.00 27.96 ? 38  ARG B NH1 1 
ATOM   282  N NH2 . ARG A 1 32  ? -36.545 6.735   -26.186 1.00 32.36 ? 38  ARG B NH2 1 
ATOM   283  N N   A MET A 1 33  ? -36.933 -0.387  -24.800 0.25 17.70 ? 39  MET B N   1 
ATOM   284  N N   B MET A 1 33  ? -36.948 -0.429  -24.852 0.25 18.57 ? 39  MET B N   1 
ATOM   285  C CA  A MET A 1 33  ? -38.293 -0.637  -25.341 0.25 18.73 ? 39  MET B CA  1 
ATOM   286  C CA  B MET A 1 33  ? -38.210 -0.718  -25.576 0.25 19.95 ? 39  MET B CA  1 
ATOM   287  C C   A MET A 1 33  ? -38.921 0.720   -25.666 0.25 18.48 ? 39  MET B C   1 
ATOM   288  C C   B MET A 1 33  ? -39.010 0.576   -25.677 0.25 19.36 ? 39  MET B C   1 
ATOM   289  O O   A MET A 1 33  ? -38.943 1.586   -24.764 0.25 18.36 ? 39  MET B O   1 
ATOM   290  O O   B MET A 1 33  ? -39.307 1.187   -24.624 0.25 19.55 ? 39  MET B O   1 
ATOM   291  C CB  A MET A 1 33  ? -39.122 -1.369  -24.282 0.25 18.96 ? 39  MET B CB  1 
ATOM   292  C CB  B MET A 1 33  ? -39.074 -1.778  -24.901 0.25 21.48 ? 39  MET B CB  1 
ATOM   293  C CG  A MET A 1 33  ? -40.527 -1.744  -24.725 0.25 20.12 ? 39  MET B CG  1 
ATOM   294  C CG  B MET A 1 33  ? -40.340 -2.043  -25.704 0.25 23.36 ? 39  MET B CG  1 
ATOM   295  S SD  A MET A 1 33  ? -40.456 -2.789  -26.202 0.25 19.60 ? 39  MET B SD  1 
ATOM   296  S SD  B MET A 1 33  ? -41.243 -3.502  -25.173 0.25 25.90 ? 39  MET B SD  1 
ATOM   297  C CE  A MET A 1 33  ? -41.990 -3.705  -26.098 0.25 19.94 ? 39  MET B CE  1 
ATOM   298  C CE  B MET A 1 33  ? -42.307 -3.710  -26.600 0.25 25.46 ? 39  MET B CE  1 
ATOM   299  N N   . GLY A 1 34  ? -39.341 0.936   -26.912 1.00 19.01 ? 40  GLY B N   1 
ATOM   300  C CA  . GLY A 1 34  ? -40.143 2.131   -27.249 1.00 20.21 ? 40  GLY B CA  1 
ATOM   301  C C   . GLY A 1 34  ? -41.605 1.935   -26.882 1.00 19.26 ? 40  GLY B C   1 
ATOM   302  O O   . GLY A 1 34  ? -42.020 0.786   -26.508 1.00 18.80 ? 40  GLY B O   1 
ATOM   303  N N   . ASP A 1 35  ? -42.382 3.030   -26.906 1.00 21.74 ? 41  ASP B N   1 
ATOM   304  C CA  . ASP A 1 35  ? -43.825 2.947   -26.522 1.00 26.33 ? 41  ASP B CA  1 
ATOM   305  C C   . ASP A 1 35  ? -44.669 2.542   -27.754 1.00 25.31 ? 41  ASP B C   1 
ATOM   306  O O   . ASP A 1 35  ? -45.902 2.319   -27.589 1.00 26.48 ? 41  ASP B O   1 
ATOM   307  C CB  . ASP A 1 35  ? -44.277 4.212   -25.778 1.00 31.35 ? 41  ASP B CB  1 
ATOM   308  C CG  . ASP A 1 35  ? -43.812 4.291   -24.309 1.00 44.27 ? 41  ASP B CG  1 
ATOM   309  O OD1 . ASP A 1 35  ? -43.565 3.216   -23.687 1.00 46.65 ? 41  ASP B OD1 1 
ATOM   310  O OD2 . ASP A 1 35  ? -43.719 5.427   -23.757 1.00 43.52 ? 41  ASP B OD2 1 
ATOM   311  N N   . THR A 1 36  ? -44.040 2.279   -28.901 1.00 21.38 ? 42  THR B N   1 
ATOM   312  C CA  . THR A 1 36  ? -44.751 1.969   -30.180 1.00 21.86 ? 42  THR B CA  1 
ATOM   313  C C   . THR A 1 36  ? -43.795 1.274   -31.160 1.00 20.25 ? 42  THR B C   1 
ATOM   314  O O   . THR A 1 36  ? -42.550 1.283   -30.948 1.00 17.01 ? 42  THR B O   1 
ATOM   315  C CB  . THR A 1 36  ? -45.337 3.279   -30.739 1.00 21.74 ? 42  THR B CB  1 
ATOM   316  O OG1 . THR A 1 36  ? -46.209 3.030   -31.828 1.00 24.14 ? 42  THR B OG1 1 
ATOM   317  C CG2 . THR A 1 36  ? -44.268 4.196   -31.279 1.00 25.12 ? 42  THR B CG2 1 
ATOM   318  N N   . HIS A 1 37  ? -44.297 0.800   -32.299 1.00 19.67 ? 43  HIS B N   1 
ATOM   319  C CA  . HIS A 1 37  ? -43.466 0.361   -33.470 1.00 20.03 ? 43  HIS B CA  1 
ATOM   320  C C   . HIS A 1 37  ? -42.507 1.474   -33.925 1.00 19.00 ? 43  HIS B C   1 
ATOM   321  O O   . HIS A 1 37  ? -42.995 2.621   -34.129 1.00 19.18 ? 43  HIS B O   1 
ATOM   322  C CB  . HIS A 1 37  ? -44.412 -0.101  -34.586 1.00 19.79 ? 43  HIS B CB  1 
ATOM   323  C CG  . HIS A 1 37  ? -43.788 -0.784  -35.769 1.00 19.32 ? 43  HIS B CG  1 
ATOM   324  N ND1 . HIS A 1 37  ? -43.012 -0.121  -36.710 1.00 18.09 ? 43  HIS B ND1 1 
ATOM   325  C CD2 . HIS A 1 37  ? -43.923 -2.057  -36.226 1.00 18.93 ? 43  HIS B CD2 1 
ATOM   326  C CE1 . HIS A 1 37  ? -42.673 -0.978  -37.655 1.00 18.66 ? 43  HIS B CE1 1 
ATOM   327  N NE2 . HIS A 1 37  ? -43.232 -2.166  -37.392 1.00 18.56 ? 43  HIS B NE2 1 
ATOM   328  N N   . GLN A 1 38  ? -41.217 1.155   -34.168 1.00 18.21 ? 44  GLN B N   1 
ATOM   329  C CA  . GLN A 1 38  ? -40.169 2.167   -34.444 1.00 19.11 ? 44  GLN B CA  1 
ATOM   330  C C   . GLN A 1 38  ? -40.004 2.414   -35.961 1.00 19.73 ? 44  GLN B C   1 
ATOM   331  O O   . GLN A 1 38  ? -39.018 3.065   -36.366 1.00 20.61 ? 44  GLN B O   1 
ATOM   332  C CB  . GLN A 1 38  ? -38.882 1.786   -33.704 1.00 18.45 ? 44  GLN B CB  1 
ATOM   333  C CG  . GLN A 1 38  ? -39.056 1.866   -32.206 1.00 17.82 ? 44  GLN B CG  1 
ATOM   334  C CD  . GLN A 1 38  ? -39.579 3.185   -31.697 1.00 18.50 ? 44  GLN B CD  1 
ATOM   335  O OE1 . GLN A 1 38  ? -40.527 3.267   -30.907 1.00 22.77 ? 44  GLN B OE1 1 
ATOM   336  N NE2 . GLN A 1 38  ? -38.941 4.263   -32.120 1.00 17.55 ? 44  GLN B NE2 1 
ATOM   337  N N   . ASN A 1 39  ? -41.001 2.042   -36.767 1.00 18.10 ? 45  ASN B N   1 
ATOM   338  C CA  . ASN A 1 39  ? -41.142 2.467   -38.193 1.00 18.11 ? 45  ASN B CA  1 
ATOM   339  C C   . ASN A 1 39  ? -40.023 1.853   -39.047 1.00 19.49 ? 45  ASN B C   1 
ATOM   340  O O   . ASN A 1 39  ? -39.562 2.486   -40.005 1.00 21.77 ? 45  ASN B O   1 
ATOM   341  C CB  . ASN A 1 39  ? -41.248 3.998   -38.292 1.00 18.25 ? 45  ASN B CB  1 
ATOM   342  C CG  . ASN A 1 39  ? -41.838 4.432   -39.623 1.00 18.40 ? 45  ASN B CG  1 
ATOM   343  O OD1 . ASN A 1 39  ? -42.680 3.742   -40.168 1.00 18.82 ? 45  ASN B OD1 1 
ATOM   344  N ND2 . ASN A 1 39  ? -41.354 5.529   -40.184 1.00 18.52 ? 45  ASN B ND2 1 
ATOM   345  N N   . VAL A 1 40  ? -39.596 0.635   -38.709 1.00 20.07 ? 46  VAL B N   1 
ATOM   346  C CA  . VAL A 1 40  ? -38.616 -0.166  -39.496 1.00 21.98 ? 46  VAL B CA  1 
ATOM   347  C C   . VAL A 1 40  ? -39.379 -1.195  -40.337 1.00 21.36 ? 46  VAL B C   1 
ATOM   348  O O   . VAL A 1 40  ? -40.447 -1.619  -39.897 1.00 20.46 ? 46  VAL B O   1 
ATOM   349  C CB  . VAL A 1 40  ? -37.610 -0.854  -38.554 1.00 21.86 ? 46  VAL B CB  1 
ATOM   350  C CG1 . VAL A 1 40  ? -36.714 0.147   -37.839 1.00 24.84 ? 46  VAL B CG1 1 
ATOM   351  C CG2 . VAL A 1 40  ? -38.275 -1.767  -37.538 1.00 23.68 ? 46  VAL B CG2 1 
ATOM   352  N N   . SER A 1 41  ? -38.821 -1.619  -41.478 1.00 21.96 ? 47  SER B N   1 
ATOM   353  C CA  . SER A 1 41  ? -39.361 -2.743  -42.278 1.00 23.45 ? 47  SER B CA  1 
ATOM   354  C C   . SER A 1 41  ? -39.156 -4.069  -41.546 1.00 21.86 ? 47  SER B C   1 
ATOM   355  O O   . SER A 1 41  ? -38.245 -4.163  -40.734 1.00 20.06 ? 47  SER B O   1 
ATOM   356  C CB  . SER A 1 41  ? -38.746 -2.789  -43.668 1.00 26.37 ? 47  SER B CB  1 
ATOM   357  O OG  . SER A 1 41  ? -37.353 -3.006  -43.564 1.00 26.79 ? 47  SER B OG  1 
ATOM   358  N N   . ASP A 1 42  ? -39.996 -5.066  -41.794 1.00 22.41 ? 48  ASP B N   1 
ATOM   359  C CA  . ASP A 1 42  ? -39.836 -6.405  -41.188 1.00 21.63 ? 48  ASP B CA  1 
ATOM   360  C C   . ASP A 1 42  ? -38.772 -7.145  -41.995 1.00 22.08 ? 48  ASP B C   1 
ATOM   361  O O   . ASP A 1 42  ? -38.549 -6.809  -43.139 1.00 22.03 ? 48  ASP B O   1 
ATOM   362  C CB  . ASP A 1 42  ? -41.140 -7.177  -41.135 1.00 22.81 ? 48  ASP B CB  1 
ATOM   363  C CG  . ASP A 1 42  ? -41.189 -8.263  -40.059 1.00 25.61 ? 48  ASP B CG  1 
ATOM   364  O OD1 . ASP A 1 42  ? -40.232 -8.393  -39.222 1.00 20.07 ? 48  ASP B OD1 1 
ATOM   365  O OD2 . ASP A 1 42  ? -42.222 -8.916  -39.976 1.00 32.82 ? 48  ASP B OD2 1 
ATOM   366  N N   . ASN A 1 43  ? -38.114 -8.110  -41.375 1.00 20.63 ? 49  ASN B N   1 
ATOM   367  C CA  . ASN A 1 43  ? -37.109 -8.985  -42.043 1.00 21.28 ? 49  ASN B CA  1 
ATOM   368  C C   . ASN A 1 43  ? -37.075 -10.318 -41.290 1.00 23.42 ? 49  ASN B C   1 
ATOM   369  O O   . ASN A 1 43  ? -37.685 -10.424 -40.188 1.00 23.30 ? 49  ASN B O   1 
ATOM   370  C CB  . ASN A 1 43  ? -35.759 -8.300  -42.205 1.00 21.53 ? 49  ASN B CB  1 
ATOM   371  C CG  . ASN A 1 43  ? -35.050 -8.125  -40.878 1.00 22.53 ? 49  ASN B CG  1 
ATOM   372  O OD1 . ASN A 1 43  ? -34.883 -9.103  -40.145 1.00 26.28 ? 49  ASN B OD1 1 
ATOM   373  N ND2 . ASN A 1 43  ? -34.732 -6.904  -40.520 1.00 22.07 ? 49  ASN B ND2 1 
ATOM   374  N N   . LYS A 1 44  ? -36.443 -11.329 -41.865 1.00 22.10 ? 50  LYS B N   1 
ATOM   375  C CA  . LYS A 1 44  ? -36.499 -12.695 -41.290 1.00 24.56 ? 50  LYS B CA  1 
ATOM   376  C C   . LYS A 1 44  ? -35.632 -12.764 -40.017 1.00 21.77 ? 50  LYS B C   1 
ATOM   377  O O   . LYS A 1 44  ? -35.806 -13.760 -39.232 1.00 22.80 ? 50  LYS B O   1 
ATOM   378  C CB  . LYS A 1 44  ? -36.008 -13.725 -42.323 1.00 30.11 ? 50  LYS B CB  1 
ATOM   379  C CG  . LYS A 1 44  ? -34.617 -13.458 -42.868 1.00 36.79 ? 50  LYS B CG  1 
ATOM   380  C CD  . LYS A 1 44  ? -34.153 -14.441 -43.936 1.00 46.45 ? 50  LYS B CD  1 
ATOM   381  C CE  . LYS A 1 44  ? -32.646 -14.417 -44.094 1.00 49.65 ? 50  LYS B CE  1 
ATOM   382  N NZ  . LYS A 1 44  ? -32.191 -15.561 -44.917 1.00 55.85 ? 50  LYS B NZ  1 
ATOM   383  N N   . GLU A 1 45  ? -34.729 -11.799 -39.815 1.00 20.98 ? 51  GLU B N   1 
ATOM   384  C CA  . GLU A 1 45  ? -33.839 -11.775 -38.615 1.00 22.69 ? 51  GLU B CA  1 
ATOM   385  C C   . GLU A 1 45  ? -34.584 -11.298 -37.352 1.00 20.35 ? 51  GLU B C   1 
ATOM   386  O O   . GLU A 1 45  ? -34.155 -11.687 -36.231 1.00 20.47 ? 51  GLU B O   1 
ATOM   387  C CB  . GLU A 1 45  ? -32.629 -10.893 -38.869 1.00 27.78 ? 51  GLU B CB  1 
ATOM   388  C CG  . GLU A 1 45  ? -31.675 -11.405 -39.927 1.00 32.38 ? 51  GLU B CG  1 
ATOM   389  C CD  . GLU A 1 45  ? -30.496 -10.450 -40.109 1.00 38.57 ? 51  GLU B CD  1 
ATOM   390  O OE1 . GLU A 1 45  ? -30.467 -9.751  -41.157 1.00 42.94 ? 51  GLU B OE1 1 
ATOM   391  O OE2 . GLU A 1 45  ? -29.618 -10.356 -39.196 1.00 44.49 ? 51  GLU B OE2 1 
ATOM   392  N N   . ARG A 1 46  ? -35.598 -10.426 -37.455 1.00 18.77 ? 52  ARG B N   1 
ATOM   393  C CA  . ARG A 1 46  ? -36.151 -9.740  -36.255 1.00 19.29 ? 52  ARG B CA  1 
ATOM   394  C C   . ARG A 1 46  ? -36.851 -10.703 -35.292 1.00 17.99 ? 52  ARG B C   1 
ATOM   395  O O   . ARG A 1 46  ? -37.724 -11.522 -35.691 1.00 19.07 ? 52  ARG B O   1 
ATOM   396  C CB  . ARG A 1 46  ? -37.118 -8.619  -36.668 1.00 18.19 ? 52  ARG B CB  1 
ATOM   397  C CG  . ARG A 1 46  ? -36.481 -7.471  -37.426 1.00 17.92 ? 52  ARG B CG  1 
ATOM   398  C CD  . ARG A 1 46  ? -37.435 -6.261  -37.411 1.00 17.34 ? 52  ARG B CD  1 
ATOM   399  N NE  . ARG A 1 46  ? -36.895 -5.273  -38.298 1.00 18.39 ? 52  ARG B NE  1 
ATOM   400  C CZ  . ARG A 1 46  ? -35.829 -4.540  -38.046 1.00 17.95 ? 52  ARG B CZ  1 
ATOM   401  N NH1 . ARG A 1 46  ? -35.210 -4.582  -36.873 1.00 17.24 ? 52  ARG B NH1 1 
ATOM   402  N NH2 . ARG A 1 46  ? -35.379 -3.722  -38.973 1.00 20.49 ? 52  ARG B NH2 1 
ATOM   403  N N   . PHE A 1 47  ? -36.545 -10.600 -33.997 1.00 17.12 ? 53  PHE B N   1 
ATOM   404  C CA  . PHE A 1 47  ? -37.360 -11.320 -32.997 1.00 16.57 ? 53  PHE B CA  1 
ATOM   405  C C   . PHE A 1 47  ? -38.763 -10.690 -33.004 1.00 19.03 ? 53  PHE B C   1 
ATOM   406  O O   . PHE A 1 47  ? -38.887 -9.481  -32.754 1.00 18.14 ? 53  PHE B O   1 
ATOM   407  C CB  . PHE A 1 47  ? -36.745 -11.263 -31.598 1.00 16.31 ? 53  PHE B CB  1 
ATOM   408  C CG  . PHE A 1 47  ? -35.484 -12.083 -31.459 1.00 15.49 ? 53  PHE B CG  1 
ATOM   409  C CD1 . PHE A 1 47  ? -35.573 -13.438 -31.219 1.00 15.82 ? 53  PHE B CD1 1 
ATOM   410  C CD2 . PHE A 1 47  ? -34.224 -11.505 -31.584 1.00 15.68 ? 53  PHE B CD2 1 
ATOM   411  C CE1 . PHE A 1 47  ? -34.434 -14.225 -31.130 1.00 16.00 ? 53  PHE B CE1 1 
ATOM   412  C CE2 . PHE A 1 47  ? -33.091 -12.298 -31.431 1.00 16.97 ? 53  PHE B CE2 1 
ATOM   413  C CZ  . PHE A 1 47  ? -33.198 -13.653 -31.207 1.00 16.51 ? 53  PHE B CZ  1 
ATOM   414  N N   . SER A 1 48  ? -39.795 -11.488 -33.250 1.00 20.73 ? 54  SER B N   1 
ATOM   415  C CA  . SER A 1 48  ? -41.169 -10.965 -33.467 1.00 22.40 ? 54  SER B CA  1 
ATOM   416  C C   . SER A 1 48  ? -41.931 -10.834 -32.146 1.00 21.09 ? 54  SER B C   1 
ATOM   417  O O   . SER A 1 48  ? -42.688 -9.857  -32.048 1.00 25.12 ? 54  SER B O   1 
ATOM   418  C CB  . SER A 1 48  ? -41.940 -11.820 -34.443 1.00 22.01 ? 54  SER B CB  1 
ATOM   419  O OG  . SER A 1 48  ? -42.037 -13.159 -33.993 1.00 20.28 ? 54  SER B OG  1 
ATOM   420  N N   . ASN A 1 49  ? -41.781 -11.768 -31.210 1.00 17.84 ? 55  ASN B N   1 
ATOM   421  C CA  . ASN A 1 49  ? -42.732 -11.958 -30.073 1.00 19.88 ? 55  ASN B CA  1 
ATOM   422  C C   . ASN A 1 49  ? -42.232 -11.296 -28.783 1.00 18.72 ? 55  ASN B C   1 
ATOM   423  O O   . ASN A 1 49  ? -43.032 -11.140 -27.839 1.00 20.57 ? 55  ASN B O   1 
ATOM   424  C CB  . ASN A 1 49  ? -43.048 -13.415 -29.808 1.00 21.54 ? 55  ASN B CB  1 
ATOM   425  C CG  . ASN A 1 49  ? -44.007 -14.000 -30.839 1.00 24.75 ? 55  ASN B CG  1 
ATOM   426  O OD1 . ASN A 1 49  ? -43.815 -13.867 -32.045 1.00 26.94 ? 55  ASN B OD1 1 
ATOM   427  N ND2 . ASN A 1 49  ? -45.036 -14.661 -30.352 1.00 28.47 ? 55  ASN B ND2 1 
ATOM   428  N N   . TYR A 1 50  ? -40.951 -10.926 -28.724 1.00 17.40 ? 56  TYR B N   1 
ATOM   429  C CA  . TYR A 1 50  ? -40.301 -10.467 -27.481 1.00 16.76 ? 56  TYR B CA  1 
ATOM   430  C C   . TYR A 1 50  ? -39.343 -9.339  -27.823 1.00 16.82 ? 56  TYR B C   1 
ATOM   431  O O   . TYR A 1 50  ? -38.790 -9.271  -28.924 1.00 16.80 ? 56  TYR B O   1 
ATOM   432  C CB  . TYR A 1 50  ? -39.517 -11.611 -26.826 1.00 17.31 ? 56  TYR B CB  1 
ATOM   433  C CG  . TYR A 1 50  ? -40.238 -12.932 -26.722 1.00 18.70 ? 56  TYR B CG  1 
ATOM   434  C CD1 . TYR A 1 50  ? -41.205 -13.132 -25.757 1.00 20.54 ? 56  TYR B CD1 1 
ATOM   435  C CD2 . TYR A 1 50  ? -39.929 -13.997 -27.558 1.00 19.65 ? 56  TYR B CD2 1 
ATOM   436  C CE1 . TYR A 1 50  ? -41.889 -14.337 -25.660 1.00 23.13 ? 56  TYR B CE1 1 
ATOM   437  C CE2 . TYR A 1 50  ? -40.636 -15.196 -27.513 1.00 19.92 ? 56  TYR B CE2 1 
ATOM   438  C CZ  . TYR A 1 50  ? -41.584 -15.377 -26.522 1.00 23.05 ? 56  TYR B CZ  1 
ATOM   439  O OH  . TYR A 1 50  ? -42.238 -16.565 -26.415 1.00 23.47 ? 56  TYR B OH  1 
ATOM   440  N N   . PRO A 1 51  ? -39.052 -8.469  -26.831 1.00 16.19 ? 57  PRO B N   1 
ATOM   441  C CA  . PRO A 1 51  ? -38.171 -7.313  -27.030 1.00 16.23 ? 57  PRO B CA  1 
ATOM   442  C C   . PRO A 1 51  ? -36.671 -7.658  -27.000 1.00 15.82 ? 57  PRO B C   1 
ATOM   443  O O   . PRO A 1 51  ? -35.909 -7.120  -26.206 1.00 16.56 ? 57  PRO B O   1 
ATOM   444  C CB  . PRO A 1 51  ? -38.560 -6.363  -25.874 1.00 16.14 ? 57  PRO B CB  1 
ATOM   445  C CG  . PRO A 1 51  ? -39.819 -7.000  -25.268 1.00 16.19 ? 57  PRO B CG  1 
ATOM   446  C CD  . PRO A 1 51  ? -39.656 -8.464  -25.508 1.00 15.90 ? 57  PRO B CD  1 
ATOM   447  N N   . MET A 1 52  ? -36.278 -8.536  -27.932 1.00 17.84 ? 58  MET B N   1 
ATOM   448  C CA  . MET A 1 52  ? -34.927 -9.127  -28.008 1.00 15.20 ? 58  MET B CA  1 
ATOM   449  C C   . MET A 1 52  ? -34.094 -8.546  -29.147 1.00 17.28 ? 58  MET B C   1 
ATOM   450  O O   . MET A 1 52  ? -34.628 -8.054  -30.181 1.00 15.14 ? 58  MET B O   1 
ATOM   451  C CB  . MET A 1 52  ? -35.032 -10.651 -28.190 1.00 15.83 ? 58  MET B CB  1 
ATOM   452  C CG  . MET A 1 52  ? -35.636 -11.333 -26.985 1.00 15.61 ? 58  MET B CG  1 
ATOM   453  S SD  . MET A 1 52  ? -36.131 -13.061 -27.386 1.00 16.78 ? 58  MET B SD  1 
ATOM   454  C CE  . MET A 1 52  ? -36.724 -13.665 -25.814 1.00 17.07 ? 58  MET B CE  1 
ATOM   455  N N   . VAL A 1 53  ? -32.769 -8.601  -28.994 1.00 15.56 ? 59  VAL B N   1 
ATOM   456  C CA  . VAL A 1 53  ? -31.808 -8.132  -30.031 1.00 15.92 ? 59  VAL B CA  1 
ATOM   457  C C   . VAL A 1 53  ? -30.518 -8.934  -29.833 1.00 16.10 ? 59  VAL B C   1 
ATOM   458  O O   . VAL A 1 53  ? -30.259 -9.335  -28.665 1.00 15.81 ? 59  VAL B O   1 
ATOM   459  C CB  . VAL A 1 53  ? -31.601 -6.604  -29.976 1.00 15.38 ? 59  VAL B CB  1 
ATOM   460  C CG1 . VAL A 1 53  ? -31.024 -6.145  -28.666 1.00 15.77 ? 59  VAL B CG1 1 
ATOM   461  C CG2 . VAL A 1 53  ? -30.753 -6.071  -31.128 1.00 15.73 ? 59  VAL B CG2 1 
ATOM   462  N N   . LEU A 1 54  ? -29.738 -9.091  -30.898 1.00 15.97 ? 60  LEU B N   1 
ATOM   463  C CA  . LEU A 1 54  ? -28.410 -9.744  -30.818 1.00 15.58 ? 60  LEU B CA  1 
ATOM   464  C C   . LEU A 1 54  ? -27.289 -8.718  -30.951 1.00 16.84 ? 60  LEU B C   1 
ATOM   465  O O   . LEU A 1 54  ? -27.439 -7.657  -31.654 1.00 17.47 ? 60  LEU B O   1 
ATOM   466  C CB  . LEU A 1 54  ? -28.272 -10.814 -31.901 1.00 16.46 ? 60  LEU B CB  1 
ATOM   467  C CG  . LEU A 1 54  ? -29.361 -11.879 -31.945 1.00 16.53 ? 60  LEU B CG  1 
ATOM   468  C CD1 . LEU A 1 54  ? -29.043 -12.964 -32.968 1.00 18.87 ? 60  LEU B CD1 1 
ATOM   469  C CD2 . LEU A 1 54  ? -29.591 -12.501 -30.588 1.00 16.27 ? 60  LEU B CD2 1 
ATOM   470  N N   . GLY A 1 55  ? -26.151 -9.046  -30.377 1.00 15.99 ? 61  GLY B N   1 
ATOM   471  C CA  . GLY A 1 55  ? -24.895 -8.358  -30.719 1.00 15.39 ? 61  GLY B CA  1 
ATOM   472  C C   . GLY A 1 55  ? -24.504 -8.690  -32.151 1.00 16.44 ? 61  GLY B C   1 
ATOM   473  O O   . GLY A 1 55  ? -24.835 -9.797  -32.636 1.00 19.69 ? 61  GLY B O   1 
ATOM   474  N N   . ALA A 1 56  ? -23.738 -7.822  -32.777 1.00 17.24 ? 62  ALA B N   1 
ATOM   475  C CA  . ALA A 1 56  ? -23.233 -7.994  -34.161 1.00 18.99 ? 62  ALA B CA  1 
ATOM   476  C C   . ALA A 1 56  ? -22.136 -9.076  -34.180 1.00 20.68 ? 62  ALA B C   1 
ATOM   477  O O   . ALA A 1 56  ? -21.978 -9.767  -35.202 1.00 23.16 ? 62  ALA B O   1 
ATOM   478  C CB  . ALA A 1 56  ? -22.724 -6.661  -34.608 1.00 21.05 ? 62  ALA B CB  1 
ATOM   479  N N   . GLN A 1 57  ? -21.391 -9.189  -33.087 1.00 20.35 ? 63  GLN B N   1 
ATOM   480  C CA  . GLN A 1 57  ? -20.184 -10.052 -33.030 1.00 20.73 ? 63  GLN B CA  1 
ATOM   481  C C   . GLN A 1 57  ? -20.614 -11.523 -33.063 1.00 21.92 ? 63  GLN B C   1 
ATOM   482  O O   . GLN A 1 57  ? -21.628 -11.884 -32.408 1.00 20.00 ? 63  GLN B O   1 
ATOM   483  C CB  . GLN A 1 57  ? -19.327 -9.665  -31.810 1.00 22.60 ? 63  GLN B CB  1 
ATOM   484  C CG  . GLN A 1 57  ? -18.628 -8.318  -31.930 1.00 24.99 ? 63  GLN B CG  1 
ATOM   485  C CD  . GLN A 1 57  ? -19.597 -7.166  -31.774 1.00 23.99 ? 63  GLN B CD  1 
ATOM   486  O OE1 . GLN A 1 57  ? -20.582 -7.264  -31.058 1.00 21.78 ? 63  GLN B OE1 1 
ATOM   487  N NE2 . GLN A 1 57  ? -19.344 -6.073  -32.449 1.00 24.86 ? 63  GLN B NE2 1 
ATOM   488  N N   . ARG A 1 58  ? -19.860 -12.363 -33.797 1.00 22.12 ? 64  ARG B N   1 
ATOM   489  C CA  . ARG A 1 58  ? -20.010 -13.843 -33.811 1.00 22.15 ? 64  ARG B CA  1 
ATOM   490  C C   . ARG A 1 58  ? -18.728 -14.460 -33.247 1.00 21.59 ? 64  ARG B C   1 
ATOM   491  O O   . ARG A 1 58  ? -17.619 -13.984 -33.607 1.00 21.31 ? 64  ARG B O   1 
ATOM   492  C CB  . ARG A 1 58  ? -20.185 -14.437 -35.218 1.00 27.96 ? 64  ARG B CB  1 
ATOM   493  C CG  . ARG A 1 58  ? -21.568 -14.304 -35.844 1.00 33.87 ? 64  ARG B CG  1 
ATOM   494  C CD  . ARG A 1 58  ? -22.055 -12.863 -35.825 1.00 38.08 ? 64  ARG B CD  1 
ATOM   495  N NE  . ARG A 1 58  ? -22.955 -12.271 -36.826 1.00 43.67 ? 64  ARG B NE  1 
ATOM   496  C CZ  . ARG A 1 58  ? -23.638 -12.870 -37.803 1.00 43.13 ? 64  ARG B CZ  1 
ATOM   497  N NH1 . ARG A 1 58  ? -24.405 -12.128 -38.587 1.00 46.73 ? 64  ARG B NH1 1 
ATOM   498  N NH2 . ARG A 1 58  ? -23.583 -14.168 -38.011 1.00 44.80 ? 64  ARG B NH2 1 
ATOM   499  N N   . PHE A 1 59  ? -18.872 -15.403 -32.328 1.00 21.51 ? 65  PHE B N   1 
ATOM   500  C CA  . PHE A 1 59  ? -17.729 -16.083 -31.652 1.00 20.87 ? 65  PHE B CA  1 
ATOM   501  C C   . PHE A 1 59  ? -17.792 -17.587 -31.961 1.00 18.51 ? 65  PHE B C   1 
ATOM   502  O O   . PHE A 1 59  ? -18.853 -18.218 -31.732 1.00 18.61 ? 65  PHE B O   1 
ATOM   503  C CB  . PHE A 1 59  ? -17.820 -15.810 -30.141 1.00 22.69 ? 65  PHE B CB  1 
ATOM   504  C CG  . PHE A 1 59  ? -17.838 -14.336 -29.784 1.00 23.62 ? 65  PHE B CG  1 
ATOM   505  C CD1 . PHE A 1 59  ? -16.860 -13.482 -30.278 1.00 25.44 ? 65  PHE B CD1 1 
ATOM   506  C CD2 . PHE A 1 59  ? -18.813 -13.808 -28.974 1.00 30.42 ? 65  PHE B CD2 1 
ATOM   507  C CE1 . PHE A 1 59  ? -16.856 -12.129 -29.970 1.00 29.06 ? 65  PHE B CE1 1 
ATOM   508  C CE2 . PHE A 1 59  ? -18.795 -12.458 -28.646 1.00 26.64 ? 65  PHE B CE2 1 
ATOM   509  C CZ  . PHE A 1 59  ? -17.832 -11.624 -29.158 1.00 26.76 ? 65  PHE B CZ  1 
ATOM   510  N N   A SER A 1 60  ? -16.681 -18.165 -32.430 0.25 19.08 ? 66  SER B N   1 
ATOM   511  N N   B SER A 1 60  ? -16.687 -18.176 -32.437 0.25 18.90 ? 66  SER B N   1 
ATOM   512  C CA  A SER A 1 60  ? -16.578 -19.606 -32.789 0.25 19.45 ? 66  SER B CA  1 
ATOM   513  C CA  B SER A 1 60  ? -16.579 -19.631 -32.746 0.25 19.21 ? 66  SER B CA  1 
ATOM   514  C C   A SER A 1 60  ? -15.367 -20.259 -32.100 0.25 19.60 ? 66  SER B C   1 
ATOM   515  C C   B SER A 1 60  ? -15.309 -20.233 -32.134 0.25 20.19 ? 66  SER B C   1 
ATOM   516  O O   A SER A 1 60  ? -15.218 -21.492 -32.215 0.25 19.45 ? 66  SER B O   1 
ATOM   517  O O   B SER A 1 60  ? -14.900 -21.323 -32.571 0.25 19.72 ? 66  SER B O   1 
ATOM   518  C CB  A SER A 1 60  ? -16.565 -19.773 -34.289 0.25 20.14 ? 66  SER B CB  1 
ATOM   519  C CB  B SER A 1 60  ? -16.597 -19.873 -34.221 0.25 19.14 ? 66  SER B CB  1 
ATOM   520  O OG  A SER A 1 60  ? -17.880 -19.574 -34.822 0.25 21.22 ? 66  SER B OG  1 
ATOM   521  O OG  B SER A 1 60  ? -15.538 -19.182 -34.847 0.25 18.42 ? 66  SER B OG  1 
ATOM   522  N N   A SER A 1 61  ? -14.577 -19.468 -31.363 0.25 19.33 ? 67  SER B N   1 
ATOM   523  N N   B SER A 1 61  ? -14.714 -19.542 -31.165 0.25 21.23 ? 67  SER B N   1 
ATOM   524  C CA  A SER A 1 61  ? -13.401 -19.925 -30.578 0.25 19.49 ? 67  SER B CA  1 
ATOM   525  C CA  B SER A 1 61  ? -13.417 -19.918 -30.559 0.25 22.32 ? 67  SER B CA  1 
ATOM   526  C C   A SER A 1 61  ? -13.082 -18.919 -29.468 0.25 20.20 ? 67  SER B C   1 
ATOM   527  C C   B SER A 1 61  ? -13.016 -18.877 -29.516 0.25 21.76 ? 67  SER B C   1 
ATOM   528  O O   A SER A 1 61  ? -13.735 -17.856 -29.427 0.25 19.74 ? 67  SER B O   1 
ATOM   529  O O   B SER A 1 61  ? -13.532 -17.740 -29.582 0.25 20.65 ? 67  SER B O   1 
ATOM   530  C CB  A SER A 1 61  ? -12.214 -20.114 -31.487 0.25 19.14 ? 67  SER B CB  1 
ATOM   531  C CB  B SER A 1 61  ? -12.374 -20.052 -31.638 0.25 23.87 ? 67  SER B CB  1 
ATOM   532  O OG  A SER A 1 61  ? -11.703 -18.856 -31.893 0.25 16.49 ? 67  SER B OG  1 
ATOM   533  O OG  B SER A 1 61  ? -11.153 -20.516 -31.093 0.25 25.40 ? 67  SER B OG  1 
ATOM   534  N N   . GLY A 1 62  ? -12.117 -19.255 -28.603 1.00 21.28 ? 68  GLY B N   1 
ATOM   535  C CA  . GLY A 1 62  ? -11.523 -18.299 -27.661 1.00 22.59 ? 68  GLY B CA  1 
ATOM   536  C C   . GLY A 1 62  ? -12.354 -18.044 -26.411 1.00 20.00 ? 68  GLY B C   1 
ATOM   537  O O   . GLY A 1 62  ? -13.385 -18.734 -26.148 1.00 20.70 ? 68  GLY B O   1 
ATOM   538  N N   . LYS A 1 63  ? -11.863 -17.073 -25.656 1.00 20.27 ? 69  LYS B N   1 
ATOM   539  C CA  . LYS A 1 63  ? -12.470 -16.587 -24.407 1.00 19.90 ? 69  LYS B CA  1 
ATOM   540  C C   . LYS A 1 63  ? -12.898 -15.136 -24.651 1.00 20.33 ? 69  LYS B C   1 
ATOM   541  O O   . LYS A 1 63  ? -12.100 -14.313 -25.162 1.00 19.81 ? 69  LYS B O   1 
ATOM   542  C CB  . LYS A 1 63  ? -11.476 -16.766 -23.261 1.00 21.47 ? 69  LYS B CB  1 
ATOM   543  C CG  . LYS A 1 63  ? -11.051 -18.206 -22.982 1.00 21.52 ? 69  LYS B CG  1 
ATOM   544  C CD  . LYS A 1 63  ? -9.931  -18.281 -21.921 1.00 25.63 ? 69  LYS B CD  1 
ATOM   545  C CE  . LYS A 1 63  ? -9.528  -19.696 -21.583 1.00 29.20 ? 69  LYS B CE  1 
ATOM   546  N NZ  . LYS A 1 63  ? -8.591  -19.694 -20.439 1.00 31.01 ? 69  LYS B NZ  1 
ATOM   547  N N   . MET A 1 64  ? -14.098 -14.807 -24.215 1.00 18.46 ? 70  MET B N   1 
ATOM   548  C CA  . MET A 1 64  ? -14.727 -13.480 -24.411 1.00 17.61 ? 70  MET B CA  1 
ATOM   549  C C   . MET A 1 64  ? -15.403 -13.041 -23.123 1.00 17.58 ? 70  MET B C   1 
ATOM   550  O O   . MET A 1 64  ? -15.989 -13.878 -22.455 1.00 18.98 ? 70  MET B O   1 
ATOM   551  C CB  . MET A 1 64  ? -15.818 -13.612 -25.464 1.00 17.50 ? 70  MET B CB  1 
ATOM   552  C CG  . MET A 1 64  ? -15.343 -13.708 -26.895 1.00 18.79 ? 70  MET B CG  1 
ATOM   553  S SD  . MET A 1 64  ? -14.639 -15.291 -27.446 1.00 21.03 ? 70  MET B SD  1 
ATOM   554  C CE  . MET A 1 64  ? -15.910 -16.462 -27.021 1.00 20.83 ? 70  MET B CE  1 
ATOM   555  N N   . TYR A 1 65  ? -15.357 -11.751 -22.821 1.00 17.29 ? 71  TYR B N   1 
ATOM   556  C CA  . TYR A 1 65  ? -15.947 -11.157 -21.613 1.00 17.69 ? 71  TYR B CA  1 
ATOM   557  C C   . TYR A 1 65  ? -16.563 -9.825  -22.025 1.00 17.80 ? 71  TYR B C   1 
ATOM   558  O O   . TYR A 1 65  ? -15.938 -9.003  -22.760 1.00 19.22 ? 71  TYR B O   1 
ATOM   559  C CB  . TYR A 1 65  ? -14.911 -11.010 -20.497 1.00 18.80 ? 71  TYR B CB  1 
ATOM   560  C CG  . TYR A 1 65  ? -15.439 -10.383 -19.228 1.00 18.76 ? 71  TYR B CG  1 
ATOM   561  C CD1 . TYR A 1 65  ? -16.106 -11.157 -18.308 1.00 19.08 ? 71  TYR B CD1 1 
ATOM   562  C CD2 . TYR A 1 65  ? -15.297 -9.025  -18.975 1.00 19.89 ? 71  TYR B CD2 1 
ATOM   563  C CE1 . TYR A 1 65  ? -16.655 -10.611 -17.151 1.00 19.98 ? 71  TYR B CE1 1 
ATOM   564  C CE2 . TYR A 1 65  ? -15.792 -8.466  -17.797 1.00 19.20 ? 71  TYR B CE2 1 
ATOM   565  C CZ  . TYR A 1 65  ? -16.483 -9.251  -16.900 1.00 20.53 ? 71  TYR B CZ  1 
ATOM   566  O OH  . TYR A 1 65  ? -16.964 -8.695  -15.743 1.00 21.33 ? 71  TYR B OH  1 
ATOM   567  N N   . TRP A 1 66  ? -17.746 -9.573  -21.507 1.00 15.51 ? 72  TRP B N   1 
ATOM   568  C CA  . TRP A 1 66  ? -18.346 -8.219  -21.602 1.00 15.45 ? 72  TRP B CA  1 
ATOM   569  C C   . TRP A 1 66  ? -19.214 -7.933  -20.361 1.00 16.12 ? 72  TRP B C   1 
ATOM   570  O O   . TRP A 1 66  ? -19.616 -8.887  -19.657 1.00 17.30 ? 72  TRP B O   1 
ATOM   571  C CB  . TRP A 1 66  ? -19.080 -8.021  -22.938 1.00 15.26 ? 72  TRP B CB  1 
ATOM   572  C CG  . TRP A 1 66  ? -20.270 -8.895  -23.183 1.00 15.75 ? 72  TRP B CG  1 
ATOM   573  C CD1 . TRP A 1 66  ? -21.590 -8.587  -22.964 1.00 16.68 ? 72  TRP B CD1 1 
ATOM   574  C CD2 . TRP A 1 66  ? -20.264 -10.197 -23.774 1.00 16.73 ? 72  TRP B CD2 1 
ATOM   575  N NE1 . TRP A 1 66  ? -22.396 -9.615  -23.392 1.00 17.06 ? 72  TRP B NE1 1 
ATOM   576  C CE2 . TRP A 1 66  ? -21.601 -10.647 -23.823 1.00 16.73 ? 72  TRP B CE2 1 
ATOM   577  C CE3 . TRP A 1 66  ? -19.247 -11.064 -24.182 1.00 19.55 ? 72  TRP B CE3 1 
ATOM   578  C CZ2 . TRP A 1 66  ? -21.940 -11.880 -24.362 1.00 18.67 ? 72  TRP B CZ2 1 
ATOM   579  C CZ3 . TRP A 1 66  ? -19.580 -12.293 -24.692 1.00 21.63 ? 72  TRP B CZ3 1 
ATOM   580  C CH2 . TRP A 1 66  ? -20.907 -12.703 -24.755 1.00 19.50 ? 72  TRP B CH2 1 
ATOM   581  N N   . GLU A 1 67  ? -19.650 -6.672  -20.203 1.00 16.27 ? 73  GLU B N   1 
ATOM   582  C CA  . GLU A 1 67  ? -20.471 -6.248  -19.033 1.00 15.98 ? 73  GLU B CA  1 
ATOM   583  C C   . GLU A 1 67  ? -21.689 -5.471  -19.502 1.00 17.00 ? 73  GLU B C   1 
ATOM   584  O O   . GLU A 1 67  ? -21.572 -4.754  -20.495 1.00 17.61 ? 73  GLU B O   1 
ATOM   585  C CB  . GLU A 1 67  ? -19.667 -5.402  -18.062 1.00 18.79 ? 73  GLU B CB  1 
ATOM   586  C CG  . GLU A 1 67  ? -18.594 -6.242  -17.357 1.00 20.89 ? 73  GLU B CG  1 
ATOM   587  C CD  . GLU A 1 67  ? -17.692 -5.462  -16.422 1.00 25.69 ? 73  GLU B CD  1 
ATOM   588  O OE1 . GLU A 1 67  ? -17.863 -4.235  -16.374 1.00 27.74 ? 73  GLU B OE1 1 
ATOM   589  O OE2 . GLU A 1 67  ? -16.892 -6.093  -15.663 1.00 24.14 ? 73  GLU B OE2 1 
ATOM   590  N N   . VAL A 1 68  ? -22.823 -5.705  -18.839 1.00 16.88 ? 74  VAL B N   1 
ATOM   591  C CA  . VAL A 1 68  ? -24.100 -5.026  -19.168 1.00 16.00 ? 74  VAL B CA  1 
ATOM   592  C C   . VAL A 1 68  ? -24.629 -4.324  -17.914 1.00 15.26 ? 74  VAL B C   1 
ATOM   593  O O   . VAL A 1 68  ? -24.734 -4.967  -16.861 1.00 15.94 ? 74  VAL B O   1 
ATOM   594  C CB  . VAL A 1 68  ? -25.131 -6.017  -19.738 1.00 15.95 ? 74  VAL B CB  1 
ATOM   595  C CG1 . VAL A 1 68  ? -26.320 -5.260  -20.279 1.00 17.84 ? 74  VAL B CG1 1 
ATOM   596  C CG2 . VAL A 1 68  ? -24.550 -6.958  -20.793 1.00 16.84 ? 74  VAL B CG2 1 
ATOM   597  N N   . ASP A 1 69  ? -25.115 -3.096  -18.092 1.00 14.19 ? 75  ASP B N   1 
ATOM   598  C CA  . ASP A 1 69  ? -25.768 -2.268  -17.044 1.00 17.20 ? 75  ASP B CA  1 
ATOM   599  C C   . ASP A 1 69  ? -27.261 -2.568  -17.076 1.00 16.63 ? 75  ASP B C   1 
ATOM   600  O O   . ASP A 1 69  ? -27.870 -2.479  -18.191 1.00 17.83 ? 75  ASP B O   1 
ATOM   601  C CB  . ASP A 1 69  ? -25.481 -0.780  -17.240 1.00 20.20 ? 75  ASP B CB  1 
ATOM   602  C CG  . ASP A 1 69  ? -25.828 0.018   -15.992 1.00 21.60 ? 75  ASP B CG  1 
ATOM   603  O OD1 . ASP A 1 69  ? -26.972 0.003   -15.583 1.00 21.31 ? 75  ASP B OD1 1 
ATOM   604  O OD2 . ASP A 1 69  ? -24.903 0.510   -15.346 1.00 27.79 ? 75  ASP B OD2 1 
ATOM   605  N N   . VAL A 1 70  ? -27.819 -2.965  -15.939 1.00 16.65 ? 76  VAL B N   1 
ATOM   606  C CA  . VAL A 1 70  ? -29.250 -3.344  -15.766 1.00 16.65 ? 76  VAL B CA  1 
ATOM   607  C C   . VAL A 1 70  ? -29.932 -2.421  -14.723 1.00 17.05 ? 76  VAL B C   1 
ATOM   608  O O   . VAL A 1 70  ? -31.024 -2.744  -14.226 1.00 17.28 ? 76  VAL B O   1 
ATOM   609  C CB  . VAL A 1 70  ? -29.407 -4.848  -15.448 1.00 16.54 ? 76  VAL B CB  1 
ATOM   610  C CG1 . VAL A 1 70  ? -28.812 -5.739  -16.565 1.00 16.45 ? 76  VAL B CG1 1 
ATOM   611  C CG2 . VAL A 1 70  ? -28.814 -5.241  -14.087 1.00 16.85 ? 76  VAL B CG2 1 
ATOM   612  N N   . THR A 1 71  ? -29.276 -1.322  -14.355 1.00 17.93 ? 77  THR B N   1 
ATOM   613  C CA  . THR A 1 71  ? -29.772 -0.350  -13.354 1.00 18.66 ? 77  THR B CA  1 
ATOM   614  C C   . THR A 1 71  ? -31.267 -0.055  -13.559 1.00 19.62 ? 77  THR B C   1 
ATOM   615  O O   . THR A 1 71  ? -31.703 0.263   -14.693 1.00 19.17 ? 77  THR B O   1 
ATOM   616  C CB  . THR A 1 71  ? -28.945 0.932   -13.384 1.00 20.51 ? 77  THR B CB  1 
ATOM   617  O OG1 . THR A 1 71  ? -27.603 0.604   -13.020 1.00 21.92 ? 77  THR B OG1 1 
ATOM   618  C CG2 . THR A 1 71  ? -29.539 1.932   -12.417 1.00 23.92 ? 77  THR B CG2 1 
ATOM   619  N N   . GLN A 1 72  ? -32.005 -0.163  -12.450 1.00 22.27 ? 78  GLN B N   1 
ATOM   620  C CA  . GLN A 1 72  ? -33.449 0.156   -12.238 1.00 27.53 ? 78  GLN B CA  1 
ATOM   621  C C   . GLN A 1 72  ? -34.376 -0.676  -13.134 1.00 25.73 ? 78  GLN B C   1 
ATOM   622  O O   . GLN A 1 72  ? -35.574 -0.370  -13.178 1.00 29.88 ? 78  GLN B O   1 
ATOM   623  C CB  . GLN A 1 72  ? -33.714 1.666   -12.351 1.00 32.60 ? 78  GLN B CB  1 
ATOM   624  C CG  . GLN A 1 72  ? -33.334 2.298   -13.684 1.00 41.92 ? 78  GLN B CG  1 
ATOM   625  C CD  . GLN A 1 72  ? -34.204 3.453   -14.139 1.00 47.00 ? 78  GLN B CD  1 
ATOM   626  O OE1 . GLN A 1 72  ? -33.712 4.413   -14.746 1.00 53.22 ? 78  GLN B OE1 1 
ATOM   627  N NE2 . GLN A 1 72  ? -35.513 3.325   -13.942 1.00 47.66 ? 78  GLN B NE2 1 
ATOM   628  N N   . LYS A 1 73  ? -33.925 -1.740  -13.785 1.00 17.91 ? 79  LYS B N   1 
ATOM   629  C CA  . LYS A 1 73  ? -34.873 -2.606  -14.527 1.00 17.60 ? 79  LYS B CA  1 
ATOM   630  C C   . LYS A 1 73  ? -35.580 -3.612  -13.599 1.00 17.18 ? 79  LYS B C   1 
ATOM   631  O O   . LYS A 1 73  ? -34.953 -4.164  -12.662 1.00 19.82 ? 79  LYS B O   1 
ATOM   632  C CB  . LYS A 1 73  ? -34.136 -3.270  -15.688 1.00 18.54 ? 79  LYS B CB  1 
ATOM   633  C CG  . LYS A 1 73  ? -33.721 -2.267  -16.775 1.00 19.64 ? 79  LYS B CG  1 
ATOM   634  C CD  . LYS A 1 73  ? -33.286 -2.915  -18.073 1.00 18.98 ? 79  LYS B CD  1 
ATOM   635  C CE  . LYS A 1 73  ? -34.404 -3.646  -18.795 1.00 18.40 ? 79  LYS B CE  1 
ATOM   636  N NZ  . LYS A 1 73  ? -35.535 -2.760  -19.177 1.00 16.70 ? 79  LYS B NZ  1 
ATOM   637  N N   . GLU A 1 74  ? -36.849 -3.879  -13.881 1.00 16.39 ? 80  GLU B N   1 
ATOM   638  C CA  . GLU A 1 74  ? -37.678 -4.915  -13.221 1.00 16.60 ? 80  GLU B CA  1 
ATOM   639  C C   . GLU A 1 74  ? -37.546 -6.278  -13.929 1.00 16.29 ? 80  GLU B C   1 
ATOM   640  O O   . GLU A 1 74  ? -37.851 -7.306  -13.325 1.00 16.47 ? 80  GLU B O   1 
ATOM   641  C CB  . GLU A 1 74  ? -39.150 -4.520  -13.284 1.00 18.57 ? 80  GLU B CB  1 
ATOM   642  C CG  . GLU A 1 74  ? -39.438 -3.308  -12.444 1.00 18.74 ? 80  GLU B CG  1 
ATOM   643  C CD  . GLU A 1 74  ? -40.892 -2.868  -12.569 1.00 18.80 ? 80  GLU B CD  1 
ATOM   644  O OE1 . GLU A 1 74  ? -41.271 -2.012  -11.788 1.00 21.41 ? 80  GLU B OE1 1 
ATOM   645  O OE2 . GLU A 1 74  ? -41.624 -3.406  -13.451 1.00 20.74 ? 80  GLU B OE2 1 
ATOM   646  N N   . ALA A 1 75  ? -37.191 -6.290  -15.208 1.00 16.31 ? 81  ALA B N   1 
ATOM   647  C CA  . ALA A 1 75  ? -37.193 -7.542  -15.996 1.00 14.83 ? 81  ALA B CA  1 
ATOM   648  C C   . ALA A 1 75  ? -36.229 -7.445  -17.168 1.00 16.18 ? 81  ALA B C   1 
ATOM   649  O O   . ALA A 1 75  ? -36.213 -6.401  -17.858 1.00 15.45 ? 81  ALA B O   1 
ATOM   650  C CB  . ALA A 1 75  ? -38.589 -7.878  -16.509 1.00 17.06 ? 81  ALA B CB  1 
ATOM   651  N N   . TRP A 1 76  ? -35.505 -8.542  -17.433 1.00 14.56 ? 82  TRP B N   1 
ATOM   652  C CA  . TRP A 1 76  ? -34.517 -8.613  -18.549 1.00 15.00 ? 82  TRP B CA  1 
ATOM   653  C C   . TRP A 1 76  ? -34.034 -10.053 -18.672 1.00 14.29 ? 82  TRP B C   1 
ATOM   654  O O   . TRP A 1 76  ? -34.143 -10.809 -17.683 1.00 15.84 ? 82  TRP B O   1 
ATOM   655  C CB  . TRP A 1 76  ? -33.343 -7.611  -18.367 1.00 14.45 ? 82  TRP B CB  1 
ATOM   656  C CG  . TRP A 1 76  ? -32.670 -7.640  -17.030 1.00 15.24 ? 82  TRP B CG  1 
ATOM   657  C CD1 . TRP A 1 76  ? -32.881 -6.788  -15.988 1.00 16.89 ? 82  TRP B CD1 1 
ATOM   658  C CD2 . TRP A 1 76  ? -31.756 -8.630  -16.524 1.00 14.96 ? 82  TRP B CD2 1 
ATOM   659  N NE1 . TRP A 1 76  ? -32.161 -7.157  -14.889 1.00 16.90 ? 82  TRP B NE1 1 
ATOM   660  C CE2 . TRP A 1 76  ? -31.464 -8.290  -15.194 1.00 16.62 ? 82  TRP B CE2 1 
ATOM   661  C CE3 . TRP A 1 76  ? -31.129 -9.759  -17.082 1.00 16.77 ? 82  TRP B CE3 1 
ATOM   662  C CZ2 . TRP A 1 76  ? -30.563 -8.999  -14.419 1.00 16.08 ? 82  TRP B CZ2 1 
ATOM   663  C CZ3 . TRP A 1 76  ? -30.257 -10.480 -16.300 1.00 15.69 ? 82  TRP B CZ3 1 
ATOM   664  C CH2 . TRP A 1 76  ? -30.000 -10.115 -14.978 1.00 16.74 ? 82  TRP B CH2 1 
ATOM   665  N N   . ASP A 1 77  ? -33.506 -10.391 -19.833 1.00 13.71 ? 83  ASP B N   1 
ATOM   666  C CA  . ASP A 1 77  ? -32.743 -11.653 -20.056 1.00 14.95 ? 83  ASP B CA  1 
ATOM   667  C C   . ASP A 1 77  ? -31.385 -11.253 -20.634 1.00 14.63 ? 83  ASP B C   1 
ATOM   668  O O   . ASP A 1 77  ? -31.375 -10.355 -21.499 1.00 14.87 ? 83  ASP B O   1 
ATOM   669  C CB  . ASP A 1 77  ? -33.439 -12.597 -21.038 1.00 16.35 ? 83  ASP B CB  1 
ATOM   670  C CG  . ASP A 1 77  ? -34.935 -12.859 -20.902 1.00 19.06 ? 83  ASP B CG  1 
ATOM   671  O OD1 . ASP A 1 77  ? -35.394 -12.969 -19.796 1.00 21.56 ? 83  ASP B OD1 1 
ATOM   672  O OD2 . ASP A 1 77  ? -35.618 -12.998 -21.952 1.00 19.53 ? 83  ASP B OD2 1 
ATOM   673  N N   . LEU A 1 78  ? -30.317 -11.962 -20.264 1.00 14.80 ? 84  LEU B N   1 
ATOM   674  C CA  . LEU A 1 78  ? -28.962 -11.706 -20.786 1.00 13.48 ? 84  LEU B CA  1 
ATOM   675  C C   . LEU A 1 78  ? -28.242 -13.044 -20.986 1.00 13.81 ? 84  LEU B C   1 
ATOM   676  O O   . LEU A 1 78  ? -28.387 -13.930 -20.156 1.00 13.21 ? 84  LEU B O   1 
ATOM   677  C CB  . LEU A 1 78  ? -28.154 -10.853 -19.824 1.00 14.82 ? 84  LEU B CB  1 
ATOM   678  C CG  . LEU A 1 78  ? -28.518 -9.373  -19.713 1.00 15.00 ? 84  LEU B CG  1 
ATOM   679  C CD1 . LEU A 1 78  ? -27.661 -8.764  -18.625 1.00 16.35 ? 84  LEU B CD1 1 
ATOM   680  C CD2 . LEU A 1 78  ? -28.304 -8.704  -21.052 1.00 16.54 ? 84  LEU B CD2 1 
ATOM   681  N N   . GLY A 1 79  ? -27.386 -13.073 -21.990 1.00 12.89 ? 85  GLY B N   1 
ATOM   682  C CA  . GLY A 1 79  ? -26.440 -14.184 -22.140 1.00 14.43 ? 85  GLY B CA  1 
ATOM   683  C C   . GLY A 1 79  ? -25.913 -14.256 -23.553 1.00 13.74 ? 85  GLY B C   1 
ATOM   684  O O   . GLY A 1 79  ? -25.528 -13.231 -24.110 1.00 14.43 ? 85  GLY B O   1 
ATOM   685  N N   A VAL A 1 80  ? -25.838 -15.479 -24.086 0.25 13.99 ? 86  VAL B N   1 
ATOM   686  N N   B VAL A 1 80  ? -25.880 -15.466 -24.112 0.25 14.49 ? 86  VAL B N   1 
ATOM   687  C CA  A VAL A 1 80  ? -25.394 -15.794 -25.476 0.25 14.17 ? 86  VAL B CA  1 
ATOM   688  C CA  B VAL A 1 80  ? -25.364 -15.758 -25.481 0.25 14.95 ? 86  VAL B CA  1 
ATOM   689  C C   A VAL A 1 80  ? -26.407 -16.748 -26.104 0.25 14.41 ? 86  VAL B C   1 
ATOM   690  C C   B VAL A 1 80  ? -26.284 -16.815 -26.099 0.25 14.84 ? 86  VAL B C   1 
ATOM   691  O O   A VAL A 1 80  ? -27.169 -17.410 -25.370 0.25 15.56 ? 86  VAL B O   1 
ATOM   692  O O   B VAL A 1 80  ? -26.885 -17.599 -25.340 0.25 15.72 ? 86  VAL B O   1 
ATOM   693  C CB  A VAL A 1 80  ? -23.989 -16.421 -25.509 0.25 14.15 ? 86  VAL B CB  1 
ATOM   694  C CB  B VAL A 1 80  ? -23.891 -16.210 -25.417 0.25 15.71 ? 86  VAL B CB  1 
ATOM   695  C CG1 A VAL A 1 80  ? -22.912 -15.407 -25.181 0.25 13.97 ? 86  VAL B CG1 1 
ATOM   696  C CG1 B VAL A 1 80  ? -23.760 -17.670 -25.015 0.25 15.97 ? 86  VAL B CG1 1 
ATOM   697  C CG2 A VAL A 1 80  ? -23.879 -17.616 -24.578 0.25 14.30 ? 86  VAL B CG2 1 
ATOM   698  C CG2 B VAL A 1 80  ? -23.137 -15.942 -26.710 0.25 16.11 ? 86  VAL B CG2 1 
ATOM   699  N N   . CYS A 1 81  ? -26.401 -16.838 -27.428 1.00 14.04 ? 87  CYS B N   1 
ATOM   700  C CA  . CYS A 1 81  ? -27.254 -17.795 -28.114 1.00 15.92 ? 87  CYS B CA  1 
ATOM   701  C C   . CYS A 1 81  ? -26.580 -18.172 -29.428 1.00 15.81 ? 87  CYS B C   1 
ATOM   702  O O   . CYS A 1 81  ? -25.681 -17.431 -29.924 1.00 15.75 ? 87  CYS B O   1 
ATOM   703  C CB  . CYS A 1 81  ? -28.645 -17.224 -28.332 1.00 17.86 ? 87  CYS B CB  1 
ATOM   704  S SG  . CYS A 1 81  ? -28.704 -15.858 -29.524 1.00 17.62 ? 87  CYS B SG  1 
ATOM   705  N N   A ARG A 1 82  ? -26.985 -19.314 -29.967 0.25 15.91 ? 88  ARG B N   1 
ATOM   706  N N   B ARG A 1 82  ? -26.979 -19.317 -29.970 0.25 15.41 ? 88  ARG B N   1 
ATOM   707  C CA  A ARG A 1 82  ? -26.589 -19.775 -31.318 0.25 17.41 ? 88  ARG B CA  1 
ATOM   708  C CA  B ARG A 1 82  ? -26.544 -19.805 -31.302 0.25 16.53 ? 88  ARG B CA  1 
ATOM   709  C C   A ARG A 1 82  ? -27.033 -18.735 -32.340 0.25 16.80 ? 88  ARG B C   1 
ATOM   710  C C   B ARG A 1 82  ? -27.050 -18.817 -32.361 0.25 16.37 ? 88  ARG B C   1 
ATOM   711  O O   A ARG A 1 82  ? -28.121 -18.146 -32.172 0.25 16.77 ? 88  ARG B O   1 
ATOM   712  O O   B ARG A 1 82  ? -28.200 -18.331 -32.226 0.25 16.49 ? 88  ARG B O   1 
ATOM   713  C CB  A ARG A 1 82  ? -27.236 -21.121 -31.638 0.25 18.36 ? 88  ARG B CB  1 
ATOM   714  C CB  B ARG A 1 82  ? -27.074 -21.224 -31.539 0.25 16.70 ? 88  ARG B CB  1 
ATOM   715  C CG  A ARG A 1 82  ? -26.574 -22.277 -30.915 0.25 18.70 ? 88  ARG B CG  1 
ATOM   716  C CG  B ARG A 1 82  ? -26.330 -21.980 -32.629 0.25 16.41 ? 88  ARG B CG  1 
ATOM   717  C CD  A ARG A 1 82  ? -27.210 -23.585 -31.314 0.25 19.89 ? 88  ARG B CD  1 
ATOM   718  C CD  B ARG A 1 82  ? -26.893 -23.357 -32.863 0.25 16.19 ? 88  ARG B CD  1 
ATOM   719  N NE  A ARG A 1 82  ? -26.961 -24.611 -30.317 0.25 19.30 ? 88  ARG B NE  1 
ATOM   720  N NE  B ARG A 1 82  ? -26.815 -24.166 -31.668 0.25 16.48 ? 88  ARG B NE  1 
ATOM   721  C CZ  A ARG A 1 82  ? -27.833 -25.547 -29.998 0.25 19.24 ? 88  ARG B CZ  1 
ATOM   722  C CZ  B ARG A 1 82  ? -27.868 -24.715 -31.074 0.25 16.06 ? 88  ARG B CZ  1 
ATOM   723  N NH1 A ARG A 1 82  ? -29.023 -25.555 -30.571 0.25 18.74 ? 88  ARG B NH1 1 
ATOM   724  N NH1 B ARG A 1 82  ? -29.069 -24.581 -31.606 0.25 17.39 ? 88  ARG B NH1 1 
ATOM   725  N NH2 A ARG A 1 82  ? -27.526 -26.453 -29.089 0.25 20.24 ? 88  ARG B NH2 1 
ATOM   726  N NH2 B ARG A 1 82  ? -27.700 -25.434 -29.982 0.25 15.64 ? 88  ARG B NH2 1 
ATOM   727  N N   . ASP A 1 83  ? -26.235 -18.545 -33.387 1.00 16.87 ? 89  ASP B N   1 
ATOM   728  C CA  . ASP A 1 83  ? -26.617 -17.625 -34.485 1.00 18.70 ? 89  ASP B CA  1 
ATOM   729  C C   . ASP A 1 83  ? -27.906 -18.121 -35.151 1.00 19.40 ? 89  ASP B C   1 
ATOM   730  O O   . ASP A 1 83  ? -28.630 -17.293 -35.719 1.00 22.30 ? 89  ASP B O   1 
ATOM   731  C CB  . ASP A 1 83  ? -25.497 -17.490 -35.510 1.00 21.88 ? 89  ASP B CB  1 
ATOM   732  C CG  . ASP A 1 83  ? -25.075 -18.784 -36.200 1.00 25.30 ? 89  ASP B CG  1 
ATOM   733  O OD1 . ASP A 1 83  ? -25.567 -19.896 -35.815 1.00 30.31 ? 89  ASP B OD1 1 
ATOM   734  O OD2 . ASP A 1 83  ? -24.272 -18.674 -37.157 1.00 27.73 ? 89  ASP B OD2 1 
ATOM   735  N N   . SER A 1 84  ? -28.229 -19.401 -35.073 1.00 18.29 ? 90  SER B N   1 
ATOM   736  C CA  . SER A 1 84  ? -29.380 -20.015 -35.790 1.00 19.70 ? 90  SER B CA  1 
ATOM   737  C C   . SER A 1 84  ? -30.626 -20.164 -34.898 1.00 18.80 ? 90  SER B C   1 
ATOM   738  O O   . SER A 1 84  ? -31.560 -20.857 -35.324 1.00 18.28 ? 90  SER B O   1 
ATOM   739  C CB  . SER A 1 84  ? -28.945 -21.351 -36.381 1.00 21.15 ? 90  SER B CB  1 
ATOM   740  O OG  . SER A 1 84  ? -28.482 -22.202 -35.368 1.00 21.02 ? 90  SER B OG  1 
ATOM   741  N N   . VAL A 1 85  ? -30.692 -19.507 -33.725 1.00 17.54 ? 91  VAL B N   1 
ATOM   742  C CA  . VAL A 1 85  ? -31.923 -19.568 -32.896 1.00 18.52 ? 91  VAL B CA  1 
ATOM   743  C C   . VAL A 1 85  ? -33.129 -19.070 -33.715 1.00 17.21 ? 91  VAL B C   1 
ATOM   744  O O   . VAL A 1 85  ? -32.994 -18.181 -34.590 1.00 17.45 ? 91  VAL B O   1 
ATOM   745  C CB  . VAL A 1 85  ? -31.833 -18.847 -31.530 1.00 17.53 ? 91  VAL B CB  1 
ATOM   746  C CG1 . VAL A 1 85  ? -30.847 -19.543 -30.620 1.00 17.74 ? 91  VAL B CG1 1 
ATOM   747  C CG2 . VAL A 1 85  ? -31.536 -17.368 -31.634 1.00 17.35 ? 91  VAL B CG2 1 
ATOM   748  N N   . GLN A 1 86  ? -34.266 -19.679 -33.407 1.00 19.30 ? 92  GLN B N   1 
ATOM   749  C CA  . GLN A 1 86  ? -35.618 -19.295 -33.893 1.00 21.56 ? 92  GLN B CA  1 
ATOM   750  C C   . GLN A 1 86  ? -35.839 -17.806 -33.599 1.00 19.81 ? 92  GLN B C   1 
ATOM   751  O O   . GLN A 1 86  ? -35.520 -17.343 -32.482 1.00 19.21 ? 92  GLN B O   1 
ATOM   752  C CB  . GLN A 1 86  ? -36.632 -20.209 -33.189 1.00 23.85 ? 92  GLN B CB  1 
ATOM   753  C CG  . GLN A 1 86  ? -38.099 -19.862 -33.407 1.00 27.54 ? 92  GLN B CG  1 
ATOM   754  C CD  . GLN A 1 86  ? -38.992 -20.749 -32.561 1.00 31.91 ? 92  GLN B CD  1 
ATOM   755  O OE1 . GLN A 1 86  ? -38.571 -21.789 -32.018 1.00 31.98 ? 92  GLN B OE1 1 
ATOM   756  N NE2 . GLN A 1 86  ? -40.254 -20.341 -32.420 1.00 33.39 ? 92  GLN B NE2 1 
ATOM   757  N N   . ARG A 1 87  ? -36.367 -17.067 -34.573 1.00 17.60 ? 93  ARG B N   1 
ATOM   758  C CA  . ARG A 1 87  ? -36.694 -15.618 -34.401 1.00 18.20 ? 93  ARG B CA  1 
ATOM   759  C C   . ARG A 1 87  ? -38.202 -15.382 -34.261 1.00 19.18 ? 93  ARG B C   1 
ATOM   760  O O   . ARG A 1 87  ? -38.556 -14.384 -33.618 1.00 18.53 ? 93  ARG B O   1 
ATOM   761  C CB  . ARG A 1 87  ? -36.132 -14.768 -35.544 1.00 17.12 ? 93  ARG B CB  1 
ATOM   762  C CG  . ARG A 1 87  ? -34.666 -15.004 -35.842 1.00 17.75 ? 93  ARG B CG  1 
ATOM   763  C CD  . ARG A 1 87  ? -33.743 -14.749 -34.652 1.00 20.09 ? 93  ARG B CD  1 
ATOM   764  N NE  . ARG A 1 87  ? -32.395 -15.215 -34.997 1.00 20.57 ? 93  ARG B NE  1 
ATOM   765  C CZ  . ARG A 1 87  ? -31.449 -14.513 -35.615 1.00 20.54 ? 93  ARG B CZ  1 
ATOM   766  N NH1 . ARG A 1 87  ? -31.656 -13.269 -35.985 1.00 21.38 ? 93  ARG B NH1 1 
ATOM   767  N NH2 . ARG A 1 87  ? -30.291 -15.080 -35.889 1.00 22.12 ? 93  ARG B NH2 1 
ATOM   768  N N   . LYS A 1 88  ? -39.057 -16.198 -34.871 1.00 19.57 ? 94  LYS B N   1 
ATOM   769  C CA  . LYS A 1 88  ? -40.504 -15.919 -35.015 1.00 20.44 ? 94  LYS B CA  1 
ATOM   770  C C   . LYS A 1 88  ? -41.292 -16.835 -34.102 1.00 20.81 ? 94  LYS B C   1 
ATOM   771  O O   . LYS A 1 88  ? -40.899 -18.029 -33.958 1.00 21.20 ? 94  LYS B O   1 
ATOM   772  C CB  . LYS A 1 88  ? -40.937 -16.103 -36.471 1.00 21.14 ? 94  LYS B CB  1 
ATOM   773  C CG  . LYS A 1 88  ? -40.073 -15.384 -37.493 1.00 22.36 ? 94  LYS B CG  1 
ATOM   774  C CD  . LYS A 1 88  ? -39.982 -13.889 -37.236 1.00 21.37 ? 94  LYS B CD  1 
ATOM   775  C CE  . LYS A 1 88  ? -39.226 -13.177 -38.337 1.00 21.09 ? 94  LYS B CE  1 
ATOM   776  N NZ  . LYS A 1 88  ? -39.191 -11.719 -38.091 1.00 22.09 ? 94  LYS B NZ  1 
ATOM   777  N N   . GLY A 1 89  ? -42.344 -16.310 -33.494 1.00 21.63 ? 95  GLY B N   1 
ATOM   778  C CA  . GLY A 1 89  ? -43.265 -17.104 -32.661 1.00 22.03 ? 95  GLY B CA  1 
ATOM   779  C C   . GLY A 1 89  ? -42.780 -17.239 -31.234 1.00 23.03 ? 95  GLY B C   1 
ATOM   780  O O   . GLY A 1 89  ? -41.795 -16.532 -30.871 1.00 21.28 ? 95  GLY B O   1 
ATOM   781  N N   . GLN A 1 90  ? -43.409 -18.134 -30.479 1.00 22.87 ? 96  GLN B N   1 
ATOM   782  C CA  . GLN A 1 90  ? -43.148 -18.375 -29.044 1.00 24.05 ? 96  GLN B CA  1 
ATOM   783  C C   . GLN A 1 90  ? -42.104 -19.484 -28.879 1.00 22.42 ? 96  GLN B C   1 
ATOM   784  O O   . GLN A 1 90  ? -42.029 -20.386 -29.729 1.00 22.58 ? 96  GLN B O   1 
ATOM   785  C CB  . GLN A 1 90  ? -44.451 -18.749 -28.336 1.00 30.83 ? 96  GLN B CB  1 
ATOM   786  C CG  . GLN A 1 90  ? -45.403 -17.568 -28.224 1.00 35.99 ? 96  GLN B CG  1 
ATOM   787  C CD  . GLN A 1 90  ? -46.802 -18.017 -27.908 1.00 45.37 ? 96  GLN B CD  1 
ATOM   788  O OE1 . GLN A 1 90  ? -47.243 -17.904 -26.767 1.00 53.72 ? 96  GLN B OE1 1 
ATOM   789  N NE2 . GLN A 1 90  ? -47.488 -18.560 -28.909 1.00 48.92 ? 96  GLN B NE2 1 
ATOM   790  N N   . PHE A 1 91  ? -41.195 -19.303 -27.927 1.00 20.78 ? 97  PHE B N   1 
ATOM   791  C CA  . PHE A 1 91  ? -40.154 -20.293 -27.589 1.00 21.51 ? 97  PHE B CA  1 
ATOM   792  C C   . PHE A 1 91  ? -39.681 -20.037 -26.163 1.00 21.16 ? 97  PHE B C   1 
ATOM   793  O O   . PHE A 1 91  ? -39.862 -18.940 -25.628 1.00 21.23 ? 97  PHE B O   1 
ATOM   794  C CB  . PHE A 1 91  ? -38.999 -20.207 -28.580 1.00 22.21 ? 97  PHE B CB  1 
ATOM   795  C CG  . PHE A 1 91  ? -38.356 -18.851 -28.705 1.00 22.12 ? 97  PHE B CG  1 
ATOM   796  C CD1 . PHE A 1 91  ? -37.369 -18.459 -27.811 1.00 23.82 ? 97  PHE B CD1 1 
ATOM   797  C CD2 . PHE A 1 91  ? -38.730 -17.967 -29.704 1.00 22.49 ? 97  PHE B CD2 1 
ATOM   798  C CE1 . PHE A 1 91  ? -36.737 -17.234 -27.941 1.00 23.30 ? 97  PHE B CE1 1 
ATOM   799  C CE2 . PHE A 1 91  ? -38.092 -16.749 -29.847 1.00 23.01 ? 97  PHE B CE2 1 
ATOM   800  C CZ  . PHE A 1 91  ? -37.101 -16.381 -28.955 1.00 23.93 ? 97  PHE B CZ  1 
ATOM   801  N N   A SER A 1 92  ? -39.111 -21.062 -25.529 0.25 22.40 ? 98  SER B N   1 
ATOM   802  N N   B SER A 1 92  ? -39.084 -21.063 -25.556 0.25 21.87 ? 98  SER B N   1 
ATOM   803  C CA  A SER A 1 92  ? -38.479 -20.938 -24.193 0.25 22.46 ? 98  SER B CA  1 
ATOM   804  C CA  B SER A 1 92  ? -38.466 -20.987 -24.211 0.25 21.59 ? 98  SER B CA  1 
ATOM   805  C C   A SER A 1 92  ? -36.981 -20.705 -24.369 0.25 21.21 ? 98  SER B C   1 
ATOM   806  C C   B SER A 1 92  ? -36.967 -20.733 -24.361 0.25 20.76 ? 98  SER B C   1 
ATOM   807  O O   A SER A 1 92  ? -36.405 -21.170 -25.391 0.25 20.32 ? 98  SER B O   1 
ATOM   808  O O   B SER A 1 92  ? -36.370 -21.211 -25.365 0.25 19.78 ? 98  SER B O   1 
ATOM   809  C CB  A SER A 1 92  ? -38.744 -22.133 -23.327 0.25 25.13 ? 98  SER B CB  1 
ATOM   810  C CB  B SER A 1 92  ? -38.746 -22.229 -23.419 0.25 23.61 ? 98  SER B CB  1 
ATOM   811  O OG  A SER A 1 92  ? -38.564 -23.329 -24.062 0.25 27.65 ? 98  SER B OG  1 
ATOM   812  O OG  B SER A 1 92  ? -40.148 -22.386 -23.239 0.25 24.36 ? 98  SER B OG  1 
ATOM   813  N N   . LEU A 1 93  ? -36.391 -19.994 -23.411 1.00 19.73 ? 99  LEU B N   1 
ATOM   814  C CA  . LEU A 1 93  ? -34.934 -19.798 -23.339 1.00 19.85 ? 99  LEU B CA  1 
ATOM   815  C C   . LEU A 1 93  ? -34.325 -21.018 -22.643 1.00 20.03 ? 99  LEU B C   1 
ATOM   816  O O   . LEU A 1 93  ? -34.451 -21.158 -21.434 1.00 20.23 ? 99  LEU B O   1 
ATOM   817  C CB  . LEU A 1 93  ? -34.599 -18.518 -22.578 1.00 20.11 ? 99  LEU B CB  1 
ATOM   818  C CG  . LEU A 1 93  ? -35.025 -17.208 -23.218 1.00 22.17 ? 99  LEU B CG  1 
ATOM   819  C CD1 . LEU A 1 93  ? -34.631 -16.035 -22.318 1.00 22.21 ? 99  LEU B CD1 1 
ATOM   820  C CD2 . LEU A 1 93  ? -34.445 -17.036 -24.610 1.00 23.21 ? 99  LEU B CD2 1 
ATOM   821  N N   . SER A 1 94  ? -33.699 -21.916 -23.394 1.00 18.25 ? 100 SER B N   1 
ATOM   822  C CA  . SER A 1 94  ? -33.063 -23.135 -22.846 1.00 18.71 ? 100 SER B CA  1 
ATOM   823  C C   . SER A 1 94  ? -31.876 -23.496 -23.717 1.00 16.97 ? 100 SER B C   1 
ATOM   824  O O   . SER A 1 94  ? -31.860 -23.158 -24.910 1.00 16.53 ? 100 SER B O   1 
ATOM   825  C CB  . SER A 1 94  ? -34.010 -24.294 -22.837 1.00 19.16 ? 100 SER B CB  1 
ATOM   826  O OG  . SER A 1 94  ? -34.345 -24.656 -24.176 1.00 21.78 ? 100 SER B OG  1 
ATOM   827  N N   . PRO A 1 95  ? -30.936 -24.292 -23.192 1.00 17.48 ? 101 PRO B N   1 
ATOM   828  C CA  . PRO A 1 95  ? -29.837 -24.775 -24.025 1.00 17.81 ? 101 PRO B CA  1 
ATOM   829  C C   . PRO A 1 95  ? -30.332 -25.651 -25.178 1.00 18.81 ? 101 PRO B C   1 
ATOM   830  O O   . PRO A 1 95  ? -29.746 -25.548 -26.269 1.00 16.48 ? 101 PRO B O   1 
ATOM   831  C CB  . PRO A 1 95  ? -28.948 -25.535 -23.034 1.00 19.09 ? 101 PRO B CB  1 
ATOM   832  C CG  . PRO A 1 95  ? -29.218 -24.796 -21.722 1.00 19.39 ? 101 PRO B CG  1 
ATOM   833  C CD  . PRO A 1 95  ? -30.720 -24.593 -21.767 1.00 18.38 ? 101 PRO B CD  1 
ATOM   834  N N   . GLU A 1 96  ? -31.417 -26.404 -24.972 1.00 18.63 ? 102 GLU B N   1 
ATOM   835  C CA  . GLU A 1 96  ? -31.986 -27.221 -26.086 1.00 23.62 ? 102 GLU B CA  1 
ATOM   836  C C   . GLU A 1 96  ? -32.355 -26.322 -27.271 1.00 22.93 ? 102 GLU B C   1 
ATOM   837  O O   . GLU A 1 96  ? -32.231 -26.754 -28.445 1.00 22.88 ? 102 GLU B O   1 
ATOM   838  C CB  . GLU A 1 96  ? -33.215 -28.002 -25.623 1.00 27.55 ? 102 GLU B CB  1 
ATOM   839  C CG  . GLU A 1 96  ? -32.919 -28.874 -24.425 1.00 37.80 ? 102 GLU B CG  1 
ATOM   840  C CD  . GLU A 1 96  ? -33.281 -28.274 -23.072 1.00 45.11 ? 102 GLU B CD  1 
ATOM   841  O OE1 . GLU A 1 96  ? -32.444 -27.489 -22.498 1.00 29.34 ? 102 GLU B OE1 1 
ATOM   842  O OE2 . GLU A 1 96  ? -34.408 -28.609 -22.582 1.00 53.93 ? 102 GLU B OE2 1 
ATOM   843  N N   . ASN A 1 97  ? -32.871 -25.119 -27.004 1.00 19.99 ? 103 ASN B N   1 
ATOM   844  C CA  . ASN A 1 97  ? -33.265 -24.158 -28.064 1.00 19.11 ? 103 ASN B CA  1 
ATOM   845  C C   . ASN A 1 97  ? -32.085 -23.263 -28.485 1.00 18.88 ? 103 ASN B C   1 
ATOM   846  O O   . ASN A 1 97  ? -32.301 -22.392 -29.323 1.00 19.78 ? 103 ASN B O   1 
ATOM   847  C CB  . ASN A 1 97  ? -34.466 -23.335 -27.603 1.00 18.28 ? 103 ASN B CB  1 
ATOM   848  C CG  . ASN A 1 97  ? -35.757 -24.126 -27.572 1.00 21.96 ? 103 ASN B CG  1 
ATOM   849  O OD1 . ASN A 1 97  ? -35.860 -25.182 -28.213 1.00 22.60 ? 103 ASN B OD1 1 
ATOM   850  N ND2 . ASN A 1 97  ? -36.739 -23.635 -26.832 1.00 23.61 ? 103 ASN B ND2 1 
ATOM   851  N N   . GLY A 1 98  ? -30.873 -23.449 -27.951 1.00 17.77 ? 104 GLY B N   1 
ATOM   852  C CA  . GLY A 1 98  ? -29.707 -22.656 -28.359 1.00 17.18 ? 104 GLY B CA  1 
ATOM   853  C C   . GLY A 1 98  ? -29.483 -21.386 -27.546 1.00 17.20 ? 104 GLY B C   1 
ATOM   854  O O   . GLY A 1 98  ? -28.807 -20.528 -28.051 1.00 16.87 ? 104 GLY B O   1 
ATOM   855  N N   . PHE A 1 99  ? -29.946 -21.315 -26.292 1.00 16.67 ? 105 PHE B N   1 
ATOM   856  C CA  . PHE A 1 99  ? -29.732 -20.116 -25.424 1.00 16.50 ? 105 PHE B CA  1 
ATOM   857  C C   . PHE A 1 99  ? -29.054 -20.505 -24.108 1.00 16.11 ? 105 PHE B C   1 
ATOM   858  O O   . PHE A 1 99  ? -29.453 -21.515 -23.474 1.00 16.37 ? 105 PHE B O   1 
ATOM   859  C CB  . PHE A 1 99  ? -31.060 -19.416 -25.077 1.00 16.19 ? 105 PHE B CB  1 
ATOM   860  C CG  . PHE A 1 99  ? -31.856 -18.955 -26.272 1.00 15.55 ? 105 PHE B CG  1 
ATOM   861  C CD1 . PHE A 1 99  ? -32.769 -19.793 -26.887 1.00 15.04 ? 105 PHE B CD1 1 
ATOM   862  C CD2 . PHE A 1 99  ? -31.738 -17.649 -26.720 1.00 15.48 ? 105 PHE B CD2 1 
ATOM   863  C CE1 . PHE A 1 99  ? -33.490 -19.355 -27.979 1.00 17.06 ? 105 PHE B CE1 1 
ATOM   864  C CE2 . PHE A 1 99  ? -32.513 -17.194 -27.772 1.00 16.34 ? 105 PHE B CE2 1 
ATOM   865  C CZ  . PHE A 1 99  ? -33.380 -18.052 -28.406 1.00 15.16 ? 105 PHE B CZ  1 
ATOM   866  N N   . TRP A 1 100 ? -28.098 -19.679 -23.668 1.00 14.73 ? 106 TRP B N   1 
ATOM   867  C CA  . TRP A 1 100 ? -27.395 -19.793 -22.358 1.00 14.60 ? 106 TRP B CA  1 
ATOM   868  C C   . TRP A 1 100 ? -27.536 -18.443 -21.671 1.00 12.95 ? 106 TRP B C   1 
ATOM   869  O O   . TRP A 1 100 ? -26.798 -17.485 -22.020 1.00 13.69 ? 106 TRP B O   1 
ATOM   870  C CB  . TRP A 1 100 ? -25.938 -20.245 -22.539 1.00 14.75 ? 106 TRP B CB  1 
ATOM   871  C CG  . TRP A 1 100 ? -25.862 -21.621 -23.136 1.00 15.86 ? 106 TRP B CG  1 
ATOM   872  C CD1 . TRP A 1 100 ? -25.772 -22.828 -22.489 1.00 16.23 ? 106 TRP B CD1 1 
ATOM   873  C CD2 . TRP A 1 100 ? -25.889 -21.935 -24.549 1.00 15.90 ? 106 TRP B CD2 1 
ATOM   874  N NE1 . TRP A 1 100 ? -25.783 -23.871 -23.405 1.00 15.41 ? 106 TRP B NE1 1 
ATOM   875  C CE2 . TRP A 1 100 ? -25.836 -23.348 -24.668 1.00 16.61 ? 106 TRP B CE2 1 
ATOM   876  C CE3 . TRP A 1 100 ? -25.958 -21.158 -25.710 1.00 15.60 ? 106 TRP B CE3 1 
ATOM   877  C CZ2 . TRP A 1 100 ? -25.893 -23.988 -25.914 1.00 17.40 ? 106 TRP B CZ2 1 
ATOM   878  C CZ3 . TRP A 1 100 ? -25.966 -21.799 -26.935 1.00 17.40 ? 106 TRP B CZ3 1 
ATOM   879  C CH2 . TRP A 1 100 ? -25.936 -23.189 -27.025 1.00 17.64 ? 106 TRP B CH2 1 
ATOM   880  N N   . THR A 1 101 ? -28.535 -18.347 -20.786 1.00 14.20 ? 107 THR B N   1 
ATOM   881  C CA  . THR A 1 101 ? -29.056 -17.035 -20.307 1.00 14.17 ? 107 THR B CA  1 
ATOM   882  C C   . THR A 1 101 ? -29.382 -17.098 -18.815 1.00 14.97 ? 107 THR B C   1 
ATOM   883  O O   . THR A 1 101 ? -29.662 -18.185 -18.288 1.00 13.94 ? 107 THR B O   1 
ATOM   884  C CB  . THR A 1 101 ? -30.281 -16.539 -21.074 1.00 14.41 ? 107 THR B CB  1 
ATOM   885  O OG1 . THR A 1 101 ? -31.370 -17.432 -20.814 1.00 15.17 ? 107 THR B OG1 1 
ATOM   886  C CG2 . THR A 1 101 ? -29.989 -16.381 -22.553 1.00 14.05 ? 107 THR B CG2 1 
ATOM   887  N N   . ILE A 1 102 ? -29.465 -15.895 -18.233 1.00 14.51 ? 108 ILE B N   1 
ATOM   888  C CA  . ILE A 1 102 ? -30.082 -15.669 -16.903 1.00 14.22 ? 108 ILE B CA  1 
ATOM   889  C C   . ILE A 1 102 ? -31.076 -14.523 -17.086 1.00 15.05 ? 108 ILE B C   1 
ATOM   890  O O   . ILE A 1 102 ? -31.027 -13.791 -18.116 1.00 14.66 ? 108 ILE B O   1 
ATOM   891  C CB  . ILE A 1 102 ? -29.069 -15.376 -15.783 1.00 13.32 ? 108 ILE B CB  1 
ATOM   892  C CG1 . ILE A 1 102 ? -28.390 -14.011 -15.914 1.00 14.71 ? 108 ILE B CG1 1 
ATOM   893  C CG2 . ILE A 1 102 ? -28.072 -16.536 -15.682 1.00 13.60 ? 108 ILE B CG2 1 
ATOM   894  C CD1 . ILE A 1 102 ? -27.502 -13.598 -14.768 1.00 14.41 ? 108 ILE B CD1 1 
ATOM   895  N N   . TRP A 1 103 ? -31.949 -14.414 -16.114 1.00 15.05 ? 109 TRP B N   1 
ATOM   896  C CA  . TRP A 1 103 ? -32.947 -13.326 -16.137 1.00 14.89 ? 109 TRP B CA  1 
ATOM   897  C C   . TRP A 1 103 ? -33.353 -12.884 -14.752 1.00 15.70 ? 109 TRP B C   1 
ATOM   898  O O   . TRP A 1 103 ? -33.201 -13.602 -13.762 1.00 14.52 ? 109 TRP B O   1 
ATOM   899  C CB  . TRP A 1 103 ? -34.143 -13.750 -16.959 1.00 18.54 ? 109 TRP B CB  1 
ATOM   900  C CG  . TRP A 1 103 ? -34.941 -14.904 -16.444 1.00 20.50 ? 109 TRP B CG  1 
ATOM   901  C CD1 . TRP A 1 103 ? -35.793 -14.948 -15.374 1.00 20.54 ? 109 TRP B CD1 1 
ATOM   902  C CD2 . TRP A 1 103 ? -35.043 -16.169 -17.098 1.00 22.33 ? 109 TRP B CD2 1 
ATOM   903  N NE1 . TRP A 1 103 ? -36.436 -16.151 -15.339 1.00 23.57 ? 109 TRP B NE1 1 
ATOM   904  C CE2 . TRP A 1 103 ? -36.015 -16.909 -16.399 1.00 22.97 ? 109 TRP B CE2 1 
ATOM   905  C CE3 . TRP A 1 103 ? -34.458 -16.710 -18.249 1.00 23.24 ? 109 TRP B CE3 1 
ATOM   906  C CZ2 . TRP A 1 103 ? -36.333 -18.210 -16.761 1.00 24.30 ? 109 TRP B CZ2 1 
ATOM   907  C CZ3 . TRP A 1 103 ? -34.828 -17.968 -18.636 1.00 23.17 ? 109 TRP B CZ3 1 
ATOM   908  C CH2 . TRP A 1 103 ? -35.742 -18.707 -17.895 1.00 21.42 ? 109 TRP B CH2 1 
ATOM   909  N N   . LEU A 1 104 ? -33.913 -11.663 -14.731 1.00 16.02 ? 110 LEU B N   1 
ATOM   910  C CA  . LEU A 1 104 ? -34.722 -11.150 -13.620 1.00 17.48 ? 110 LEU B CA  1 
ATOM   911  C C   . LEU A 1 104 ? -36.185 -11.072 -14.050 1.00 17.48 ? 110 LEU B C   1 
ATOM   912  O O   . LEU A 1 104 ? -36.482 -10.592 -15.154 1.00 15.23 ? 110 LEU B O   1 
ATOM   913  C CB  . LEU A 1 104 ? -34.237 -9.738  -13.297 1.00 17.42 ? 110 LEU B CB  1 
ATOM   914  C CG  . LEU A 1 104 ? -35.071 -8.946  -12.286 1.00 16.17 ? 110 LEU B CG  1 
ATOM   915  C CD1 . LEU A 1 104 ? -35.127 -9.616  -10.903 1.00 17.71 ? 110 LEU B CD1 1 
ATOM   916  C CD2 . LEU A 1 104 ? -34.589 -7.524  -12.162 1.00 19.27 ? 110 LEU B CD2 1 
ATOM   917  N N   . TRP A 1 105 ? -37.118 -11.580 -13.238 0.38 18.50 ? 111 TRP B N   1 
ATOM   918  C CA  . TRP A 1 105 ? -38.558 -11.236 -13.394 0.38 19.89 ? 111 TRP B CA  1 
ATOM   919  C C   . TRP A 1 105 ? -39.315 -11.539 -12.101 0.38 20.05 ? 111 TRP B C   1 
ATOM   920  O O   . TRP A 1 105 ? -39.121 -12.624 -11.518 0.38 19.19 ? 111 TRP B O   1 
ATOM   921  C CB  . TRP A 1 105 ? -39.211 -11.872 -14.636 0.38 22.31 ? 111 TRP B CB  1 
ATOM   922  C CG  . TRP A 1 105 ? -39.424 -13.353 -14.615 0.38 23.87 ? 111 TRP B CG  1 
ATOM   923  C CD1 . TRP A 1 105 ? -38.822 -14.269 -13.804 0.38 25.53 ? 111 TRP B CD1 1 
ATOM   924  C CD2 . TRP A 1 105 ? -40.282 -14.106 -15.496 0.38 25.85 ? 111 TRP B CD2 1 
ATOM   925  N NE1 . TRP A 1 105 ? -39.254 -15.534 -14.106 0.38 26.24 ? 111 TRP B NE1 1 
ATOM   926  C CE2 . TRP A 1 105 ? -40.151 -15.466 -15.141 0.38 26.33 ? 111 TRP B CE2 1 
ATOM   927  C CE3 . TRP A 1 105 ? -41.149 -13.766 -16.540 0.38 25.97 ? 111 TRP B CE3 1 
ATOM   928  C CZ2 . TRP A 1 105 ? -40.861 -16.477 -15.790 0.38 26.22 ? 111 TRP B CZ2 1 
ATOM   929  C CZ3 . TRP A 1 105 ? -41.845 -14.765 -17.185 0.38 26.01 ? 111 TRP B CZ3 1 
ATOM   930  C CH2 . TRP A 1 105 ? -41.704 -16.103 -16.811 0.38 26.13 ? 111 TRP B CH2 1 
ATOM   931  N N   . GLN A 1 106 ? -40.129 -10.564 -11.692 1.00 19.08 ? 112 GLN B N   1 
ATOM   932  C CA  . GLN A 1 106 ? -40.939 -10.605 -10.457 1.00 19.81 ? 112 GLN B CA  1 
ATOM   933  C C   . GLN A 1 106 ? -40.044 -10.789 -9.247  1.00 20.62 ? 112 GLN B C   1 
ATOM   934  O O   . GLN A 1 106 ? -40.347 -11.663 -8.401  1.00 23.84 ? 112 GLN B O   1 
ATOM   935  C CB  . GLN A 1 106 ? -42.033 -11.658 -10.615 1.00 23.27 ? 112 GLN B CB  1 
ATOM   936  C CG  . GLN A 1 106 ? -42.932 -11.388 -11.820 1.00 24.05 ? 112 GLN B CG  1 
ATOM   937  C CD  . GLN A 1 106 ? -44.198 -12.200 -11.791 1.00 27.32 ? 112 GLN B CD  1 
ATOM   938  O OE1 . GLN A 1 106 ? -45.162 -11.927 -12.522 1.00 30.55 ? 112 GLN B OE1 1 
ATOM   939  N NE2 . GLN A 1 106 ? -44.190 -13.209 -10.948 1.00 23.59 ? 112 GLN B NE2 1 
ATOM   940  N N   . ASP A 1 107 ? -39.005 -9.969  -9.136  1.00 21.63 ? 113 ASP B N   1 
ATOM   941  C CA  . ASP A 1 107 ? -38.160 -9.869  -7.929  1.00 27.58 ? 113 ASP B CA  1 
ATOM   942  C C   . ASP A 1 107 ? -37.412 -11.183 -7.680  1.00 26.35 ? 113 ASP B C   1 
ATOM   943  O O   . ASP A 1 107 ? -36.873 -11.339 -6.558  1.00 30.16 ? 113 ASP B O   1 
ATOM   944  C CB  . ASP A 1 107 ? -39.010 -9.528  -6.699  1.00 30.32 ? 113 ASP B CB  1 
ATOM   945  C CG  . ASP A 1 107 ? -38.340 -8.594  -5.717  1.00 41.93 ? 113 ASP B CG  1 
ATOM   946  O OD1 . ASP A 1 107 ? -37.319 -7.952  -6.085  1.00 50.07 ? 113 ASP B OD1 1 
ATOM   947  O OD2 . ASP A 1 107 ? -38.839 -8.521  -4.571  1.00 59.99 ? 113 ASP B OD2 1 
ATOM   948  N N   . SER A 1 108 ? -37.284 -12.053 -8.675  1.00 22.89 ? 114 SER B N   1 
ATOM   949  C CA  . SER A 1 108 ? -36.343 -13.193 -8.535  1.00 23.83 ? 114 SER B CA  1 
ATOM   950  C C   . SER A 1 108 ? -35.474 -13.383 -9.785  1.00 21.30 ? 114 SER B C   1 
ATOM   951  O O   . SER A 1 108 ? -35.894 -13.015 -10.952 1.00 19.82 ? 114 SER B O   1 
ATOM   952  C CB  . SER A 1 108 ? -37.053 -14.421 -8.088  1.00 28.36 ? 114 SER B CB  1 
ATOM   953  O OG  . SER A 1 108 ? -37.838 -14.959 -9.113  1.00 34.46 ? 114 SER B OG  1 
ATOM   954  N N   . TYR A 1 109 ? -34.290 -13.933 -9.535  1.00 18.81 ? 115 TYR B N   1 
ATOM   955  C CA  . TYR A 1 109 ? -33.267 -14.210 -10.571 1.00 16.80 ? 115 TYR B CA  1 
ATOM   956  C C   . TYR A 1 109 ? -33.274 -15.713 -10.817 1.00 16.94 ? 115 TYR B C   1 
ATOM   957  O O   . TYR A 1 109 ? -33.306 -16.499 -9.850  1.00 16.85 ? 115 TYR B O   1 
ATOM   958  C CB  . TYR A 1 109 ? -31.908 -13.684 -10.133 1.00 16.58 ? 115 TYR B CB  1 
ATOM   959  C CG  . TYR A 1 109 ? -31.874 -12.182 -9.917  1.00 18.35 ? 115 TYR B CG  1 
ATOM   960  C CD1 . TYR A 1 109 ? -32.086 -11.654 -8.659  1.00 18.55 ? 115 TYR B CD1 1 
ATOM   961  C CD2 . TYR A 1 109 ? -31.445 -11.316 -10.909 1.00 16.69 ? 115 TYR B CD2 1 
ATOM   962  C CE1 . TYR A 1 109 ? -32.023 -10.284 -8.415  1.00 19.11 ? 115 TYR B CE1 1 
ATOM   963  C CE2 . TYR A 1 109 ? -31.419 -9.940  -10.697 1.00 17.94 ? 115 TYR B CE2 1 
ATOM   964  C CZ  . TYR A 1 109 ? -31.685 -9.420  -9.441  1.00 19.48 ? 115 TYR B CZ  1 
ATOM   965  O OH  . TYR A 1 109 ? -31.650 -8.064  -9.216  1.00 20.03 ? 115 TYR B OH  1 
ATOM   966  N N   A GLU A 1 110 ? -33.279 -16.126 -12.088 0.22 16.65 ? 116 GLU B N   1 
ATOM   967  N N   B GLU A 1 110 ? -33.260 -16.102 -12.094 0.16 17.26 ? 116 GLU B N   1 
ATOM   968  C CA  A GLU A 1 110 ? -33.240 -17.563 -12.487 0.22 17.01 ? 116 GLU B CA  1 
ATOM   969  C CA  B GLU A 1 110 ? -33.263 -17.519 -12.551 0.16 17.87 ? 116 GLU B CA  1 
ATOM   970  C C   A GLU A 1 110 ? -32.315 -17.776 -13.690 0.22 16.40 ? 116 GLU B C   1 
ATOM   971  C C   B GLU A 1 110 ? -32.202 -17.722 -13.639 0.16 16.94 ? 116 GLU B C   1 
ATOM   972  O O   A GLU A 1 110 ? -32.248 -16.908 -14.567 0.22 16.13 ? 116 GLU B O   1 
ATOM   973  O O   B GLU A 1 110 ? -31.883 -16.762 -14.356 0.16 16.53 ? 116 GLU B O   1 
ATOM   974  C CB  A GLU A 1 110 ? -34.636 -18.079 -12.832 0.22 17.68 ? 116 GLU B CB  1 
ATOM   975  C CB  B GLU A 1 110 ? -34.639 -17.900 -13.100 0.16 19.19 ? 116 GLU B CB  1 
ATOM   976  C CG  A GLU A 1 110 ? -35.623 -17.960 -11.685 0.22 18.81 ? 116 GLU B CG  1 
ATOM   977  C CG  B GLU A 1 110 ? -35.772 -17.705 -12.107 0.16 20.87 ? 116 GLU B CG  1 
ATOM   978  C CD  A GLU A 1 110 ? -37.047 -18.341 -12.046 0.22 19.51 ? 116 GLU B CD  1 
ATOM   979  C CD  B GLU A 1 110 ? -35.956 -18.861 -11.139 0.16 22.03 ? 116 GLU B CD  1 
ATOM   980  O OE1 A GLU A 1 110 ? -37.519 -17.904 -13.110 0.22 20.88 ? 116 GLU B OE1 1 
ATOM   981  O OE1 B GLU A 1 110 ? -35.511 -19.980 -11.462 0.16 23.82 ? 116 GLU B OE1 1 
ATOM   982  O OE2 A GLU A 1 110 ? -37.669 -19.100 -11.277 0.22 18.86 ? 116 GLU B OE2 1 
ATOM   983  O OE2 B GLU A 1 110 ? -36.561 -18.644 -10.074 0.16 25.02 ? 116 GLU B OE2 1 
ATOM   984  N N   . ALA A 1 111 ? -31.656 -18.938 -13.740 1.00 16.29 ? 117 ALA B N   1 
ATOM   985  C CA  . ALA A 1 111 ? -30.886 -19.364 -14.910 1.00 16.24 ? 117 ALA B CA  1 
ATOM   986  C C   . ALA A 1 111 ? -31.844 -20.100 -15.879 1.00 15.53 ? 117 ALA B C   1 
ATOM   987  O O   . ALA A 1 111 ? -32.698 -20.937 -15.452 1.00 16.23 ? 117 ALA B O   1 
ATOM   988  C CB  . ALA A 1 111 ? -29.706 -20.204 -14.461 1.00 16.45 ? 117 ALA B CB  1 
ATOM   989  N N   . GLY A 1 112 ? -31.666 -19.851 -17.173 1.00 16.17 ? 118 GLY B N   1 
ATOM   990  C CA  . GLY A 1 112 ? -32.490 -20.412 -18.264 1.00 16.26 ? 118 GLY B CA  1 
ATOM   991  C C   . GLY A 1 112 ? -32.133 -21.856 -18.590 1.00 18.19 ? 118 GLY B C   1 
ATOM   992  O O   . GLY A 1 112 ? -31.814 -22.157 -19.734 1.00 18.24 ? 118 GLY B O   1 
ATOM   993  N N   . THR A 1 113 ? -32.095 -22.728 -17.593 1.00 19.53 ? 119 THR B N   1 
ATOM   994  C CA  . THR A 1 113 ? -32.095 -24.188 -17.817 1.00 20.81 ? 119 THR B CA  1 
ATOM   995  C C   . THR A 1 113 ? -33.546 -24.628 -18.070 1.00 21.04 ? 119 THR B C   1 
ATOM   996  O O   . THR A 1 113 ? -34.470 -23.800 -17.879 1.00 24.09 ? 119 THR B O   1 
ATOM   997  C CB  . THR A 1 113 ? -31.479 -24.854 -16.586 1.00 19.55 ? 119 THR B CB  1 
ATOM   998  O OG1 . THR A 1 113 ? -32.180 -24.400 -15.425 1.00 19.08 ? 119 THR B OG1 1 
ATOM   999  C CG2 . THR A 1 113 ? -30.010 -24.571 -16.416 1.00 20.35 ? 119 THR B CG2 1 
ATOM   1000 N N   . SER A 1 114 ? -33.763 -25.902 -18.405 1.00 22.91 ? 120 SER B N   1 
ATOM   1001 C CA  . SER A 1 114 ? -35.117 -26.458 -18.608 1.00 26.53 ? 120 SER B CA  1 
ATOM   1002 C C   . SER A 1 114 ? -35.291 -27.670 -17.701 1.00 28.22 ? 120 SER B C   1 
ATOM   1003 O O   . SER A 1 114 ? -34.652 -28.703 -17.911 1.00 30.85 ? 120 SER B O   1 
ATOM   1004 C CB  . SER A 1 114 ? -35.356 -26.812 -20.058 1.00 31.97 ? 120 SER B CB  1 
ATOM   1005 O OG  . SER A 1 114 ? -36.685 -27.291 -20.204 1.00 37.26 ? 120 SER B OG  1 
ATOM   1006 N N   . PRO A 1 115 ? -36.051 -27.559 -16.596 1.00 27.71 ? 121 PRO B N   1 
ATOM   1007 C CA  . PRO A 1 115 ? -36.721 -26.320 -16.214 1.00 26.92 ? 121 PRO B CA  1 
ATOM   1008 C C   . PRO A 1 115 ? -35.742 -25.328 -15.574 1.00 23.65 ? 121 PRO B C   1 
ATOM   1009 O O   . PRO A 1 115 ? -34.604 -25.693 -15.275 1.00 22.52 ? 121 PRO B O   1 
ATOM   1010 C CB  . PRO A 1 115 ? -37.754 -26.801 -15.196 1.00 29.11 ? 121 PRO B CB  1 
ATOM   1011 C CG  . PRO A 1 115 ? -37.098 -27.990 -14.541 1.00 30.53 ? 121 PRO B CG  1 
ATOM   1012 C CD  . PRO A 1 115 ? -36.236 -28.636 -15.609 1.00 28.74 ? 121 PRO B CD  1 
ATOM   1013 N N   . GLN A 1 116 ? -36.211 -24.116 -15.320 1.00 21.53 ? 122 GLN B N   1 
ATOM   1014 C CA  . GLN A 1 116 ? -35.315 -23.021 -14.892 1.00 21.95 ? 122 GLN B CA  1 
ATOM   1015 C C   . GLN A 1 116 ? -34.818 -23.276 -13.456 1.00 19.56 ? 122 GLN B C   1 
ATOM   1016 O O   . GLN A 1 116 ? -35.499 -23.953 -12.685 1.00 20.70 ? 122 GLN B O   1 
ATOM   1017 C CB  . GLN A 1 116 ? -35.970 -21.650 -15.069 1.00 26.44 ? 122 GLN B CB  1 
ATOM   1018 C CG  . GLN A 1 116 ? -36.937 -21.257 -13.975 1.00 32.89 ? 122 GLN B CG  1 
ATOM   1019 C CD  . GLN A 1 116 ? -38.359 -21.468 -14.414 1.00 40.93 ? 122 GLN B CD  1 
ATOM   1020 O OE1 . GLN A 1 116 ? -38.686 -22.432 -15.114 1.00 44.47 ? 122 GLN B OE1 1 
ATOM   1021 N NE2 . GLN A 1 116 ? -39.218 -20.568 -13.965 1.00 47.20 ? 122 GLN B NE2 1 
ATOM   1022 N N   . THR A 1 117 ? -33.679 -22.672 -13.126 1.00 17.91 ? 123 THR B N   1 
ATOM   1023 C CA  . THR A 1 117 ? -32.953 -22.831 -11.845 1.00 17.08 ? 123 THR B CA  1 
ATOM   1024 C C   . THR A 1 117 ? -32.988 -21.520 -11.062 1.00 17.81 ? 123 THR B C   1 
ATOM   1025 O O   . THR A 1 117 ? -32.510 -20.474 -11.586 1.00 17.00 ? 123 THR B O   1 
ATOM   1026 C CB  . THR A 1 117 ? -31.517 -23.303 -12.106 1.00 17.80 ? 123 THR B CB  1 
ATOM   1027 O OG1 . THR A 1 117 ? -31.624 -24.523 -12.834 1.00 18.40 ? 123 THR B OG1 1 
ATOM   1028 C CG2 . THR A 1 117 ? -30.709 -23.480 -10.842 1.00 17.76 ? 123 THR B CG2 1 
ATOM   1029 N N   . THR A 1 118 ? -33.384 -21.594 -9.793  1.00 17.22 ? 124 THR B N   1 
ATOM   1030 C CA  . THR A 1 118 ? -33.321 -20.461 -8.844  1.00 18.63 ? 124 THR B CA  1 
ATOM   1031 C C   . THR A 1 118 ? -31.880 -19.999 -8.603  1.00 17.50 ? 124 THR B C   1 
ATOM   1032 O O   . THR A 1 118 ? -30.982 -20.834 -8.342  1.00 20.08 ? 124 THR B O   1 
ATOM   1033 C CB  . THR A 1 118 ? -33.994 -20.861 -7.526  1.00 20.04 ? 124 THR B CB  1 
ATOM   1034 O OG1 . THR A 1 118 ? -35.338 -21.198 -7.853  1.00 22.57 ? 124 THR B OG1 1 
ATOM   1035 C CG2 . THR A 1 118 ? -33.910 -19.781 -6.482  1.00 23.39 ? 124 THR B CG2 1 
ATOM   1036 N N   . LEU A 1 119 ? -31.633 -18.711 -8.689  1.00 15.59 ? 125 LEU B N   1 
ATOM   1037 C CA  . LEU A 1 119 ? -30.314 -18.120 -8.371  1.00 15.84 ? 125 LEU B CA  1 
ATOM   1038 C C   . LEU A 1 119 ? -30.388 -17.540 -6.954  1.00 20.17 ? 125 LEU B C   1 
ATOM   1039 O O   . LEU A 1 119 ? -31.506 -17.238 -6.459  1.00 21.60 ? 125 LEU B O   1 
ATOM   1040 C CB  . LEU A 1 119 ? -29.903 -17.061 -9.411  1.00 15.76 ? 125 LEU B CB  1 
ATOM   1041 C CG  . LEU A 1 119 ? -29.803 -17.561 -10.850 1.00 15.85 ? 125 LEU B CG  1 
ATOM   1042 C CD1 . LEU A 1 119 ? -29.574 -16.451 -11.834 1.00 16.63 ? 125 LEU B CD1 1 
ATOM   1043 C CD2 . LEU A 1 119 ? -28.714 -18.606 -11.016 1.00 16.42 ? 125 LEU B CD2 1 
ATOM   1044 N N   . HIS A 1 120 ? -29.242 -17.397 -6.315  1.00 18.42 ? 126 HIS B N   1 
ATOM   1045 C CA  . HIS A 1 120 ? -29.115 -16.963 -4.895  1.00 17.86 ? 126 HIS B CA  1 
ATOM   1046 C C   . HIS A 1 120 ? -28.282 -15.687 -4.919  1.00 20.68 ? 126 HIS B C   1 
ATOM   1047 O O   . HIS A 1 120 ? -27.047 -15.766 -4.916  1.00 25.43 ? 126 HIS B O   1 
ATOM   1048 C CB  . HIS A 1 120 ? -28.453 -18.064 -4.048  1.00 18.66 ? 126 HIS B CB  1 
ATOM   1049 C CG  . HIS A 1 120 ? -29.251 -19.335 -4.018  1.00 21.06 ? 126 HIS B CG  1 
ATOM   1050 N ND1 . HIS A 1 120 ? -28.940 -20.431 -4.818  1.00 22.84 ? 126 HIS B ND1 1 
ATOM   1051 C CD2 . HIS A 1 120 ? -30.395 -19.651 -3.378  1.00 24.89 ? 126 HIS B CD2 1 
ATOM   1052 C CE1 . HIS A 1 120 ? -29.869 -21.359 -4.650  1.00 25.83 ? 126 HIS B CE1 1 
ATOM   1053 N NE2 . HIS A 1 120 ? -30.748 -20.922 -3.768  1.00 23.95 ? 126 HIS B NE2 1 
ATOM   1054 N N   . ILE A 1 121 ? -28.919 -14.538 -4.956  1.00 21.47 ? 127 ILE B N   1 
ATOM   1055 C CA  . ILE A 1 121 ? -28.197 -13.240 -5.081  1.00 25.53 ? 127 ILE B CA  1 
ATOM   1056 C C   . ILE A 1 121 ? -28.609 -12.378 -3.876  1.00 23.94 ? 127 ILE B C   1 
ATOM   1057 O O   . ILE A 1 121 ? -29.791 -12.077 -3.748  1.00 30.15 ? 127 ILE B O   1 
ATOM   1058 C CB  . ILE A 1 121 ? -28.513 -12.548 -6.423  1.00 28.88 ? 127 ILE B CB  1 
ATOM   1059 C CG1 . ILE A 1 121 ? -28.251 -13.480 -7.612  1.00 26.39 ? 127 ILE B CG1 1 
ATOM   1060 C CG2 . ILE A 1 121 ? -27.707 -11.253 -6.540  1.00 30.61 ? 127 ILE B CG2 1 
ATOM   1061 C CD1 . ILE A 1 121 ? -28.270 -12.799 -8.955  1.00 27.32 ? 127 ILE B CD1 1 
ATOM   1062 N N   . GLN A 1 122 ? -27.657 -12.023 -3.037  1.00 29.54 ? 128 GLN B N   1 
ATOM   1063 C CA  . GLN A 1 122 ? -27.890 -11.222 -1.802  1.00 31.25 ? 128 GLN B CA  1 
ATOM   1064 C C   . GLN A 1 122 ? -27.860 -9.741  -2.177  1.00 30.49 ? 128 GLN B C   1 
ATOM   1065 O O   . GLN A 1 122 ? -28.608 -8.965  -1.574  1.00 29.36 ? 128 GLN B O   1 
ATOM   1066 C CB  . GLN A 1 122 ? -26.810 -11.595 -0.777  1.00 37.10 ? 128 GLN B CB  1 
ATOM   1067 C CG  . GLN A 1 122 ? -26.871 -10.797 0.533   1.00 46.68 ? 128 GLN B CG  1 
ATOM   1068 C CD  . GLN A 1 122 ? -28.154 -10.984 1.319   1.00 51.81 ? 128 GLN B CD  1 
ATOM   1069 O OE1 . GLN A 1 122 ? -28.881 -11.963 1.154   1.00 57.00 ? 128 GLN B OE1 1 
ATOM   1070 N NE2 . GLN A 1 122 ? -28.456 -10.026 2.185   1.00 55.30 ? 128 GLN B NE2 1 
ATOM   1071 N N   . VAL A 1 123 ? -27.054 -9.371  -3.165  1.00 26.16 ? 129 VAL B N   1 
ATOM   1072 C CA  . VAL A 1 123 ? -26.873 -7.944  -3.580  1.00 25.71 ? 129 VAL B CA  1 
ATOM   1073 C C   . VAL A 1 123 ? -27.411 -7.758  -4.998  1.00 25.28 ? 129 VAL B C   1 
ATOM   1074 O O   . VAL A 1 123 ? -26.767 -8.208  -5.949  1.00 24.73 ? 129 VAL B O   1 
ATOM   1075 C CB  . VAL A 1 123 ? -25.400 -7.528  -3.501  1.00 26.65 ? 129 VAL B CB  1 
ATOM   1076 C CG1 . VAL A 1 123 ? -25.196 -6.101  -3.992  1.00 26.74 ? 129 VAL B CG1 1 
ATOM   1077 C CG2 . VAL A 1 123 ? -24.813 -7.709  -2.109  1.00 30.55 ? 129 VAL B CG2 1 
ATOM   1078 N N   . PRO A 1 124 ? -28.640 -7.213  -5.174  1.00 25.71 ? 130 PRO B N   1 
ATOM   1079 C CA  . PRO A 1 124 ? -29.221 -7.032  -6.503  1.00 24.53 ? 130 PRO B CA  1 
ATOM   1080 C C   . PRO A 1 124 ? -28.199 -6.374  -7.412  1.00 22.90 ? 130 PRO B C   1 
ATOM   1081 O O   . PRO A 1 124 ? -27.705 -5.306  -7.118  1.00 22.18 ? 130 PRO B O   1 
ATOM   1082 C CB  . PRO A 1 124 ? -30.445 -6.135  -6.224  1.00 26.49 ? 130 PRO B CB  1 
ATOM   1083 C CG  . PRO A 1 124 ? -30.894 -6.591  -4.831  1.00 26.07 ? 130 PRO B CG  1 
ATOM   1084 C CD  . PRO A 1 124 ? -29.590 -6.829  -4.104  1.00 25.92 ? 130 PRO B CD  1 
ATOM   1085 N N   . PRO A 1 125 ? -27.808 -6.998  -8.538  1.00 21.83 ? 131 PRO B N   1 
ATOM   1086 C CA  . PRO A 1 125 ? -26.808 -6.404  -9.406  1.00 20.47 ? 131 PRO B CA  1 
ATOM   1087 C C   . PRO A 1 125 ? -27.294 -5.180  -10.195 1.00 19.18 ? 131 PRO B C   1 
ATOM   1088 O O   . PRO A 1 125 ? -28.393 -5.232  -10.704 1.00 21.16 ? 131 PRO B O   1 
ATOM   1089 C CB  . PRO A 1 125 ? -26.394 -7.533  -10.373 1.00 21.13 ? 131 PRO B CB  1 
ATOM   1090 C CG  . PRO A 1 125 ? -27.428 -8.609  -10.214 1.00 22.84 ? 131 PRO B CG  1 
ATOM   1091 C CD  . PRO A 1 125 ? -28.262 -8.307  -8.996  1.00 21.49 ? 131 PRO B CD  1 
ATOM   1092 N N   . CYS A 1 126 ? -26.441 -4.158  -10.308 1.00 20.04 ? 132 CYS B N   1 
ATOM   1093 C CA  . CYS A 1 126 ? -26.604 -3.038  -11.294 1.00 20.48 ? 132 CYS B CA  1 
ATOM   1094 C C   . CYS A 1 126 ? -25.837 -3.320  -12.600 1.00 18.44 ? 132 CYS B C   1 
ATOM   1095 O O   . CYS A 1 126 ? -26.186 -2.759  -13.659 1.00 17.33 ? 132 CYS B O   1 
ATOM   1096 C CB  . CYS A 1 126 ? -26.160 -1.726  -10.682 1.00 24.41 ? 132 CYS B CB  1 
ATOM   1097 S SG  . CYS A 1 126 ? -27.234 -1.315  -9.279  1.00 31.73 ? 132 CYS B SG  1 
ATOM   1098 N N   A GLN A 1 127 ? -24.794 -4.157  -12.542 0.25 18.81 ? 133 GLN B N   1 
ATOM   1099 N N   B GLN A 1 127 ? -24.811 -4.176  -12.528 0.25 19.59 ? 133 GLN B N   1 
ATOM   1100 C CA  A GLN A 1 127 ? -24.036 -4.562  -13.756 0.25 19.14 ? 133 GLN B CA  1 
ATOM   1101 C CA  B GLN A 1 127 ? -23.991 -4.569  -13.704 0.25 20.54 ? 133 GLN B CA  1 
ATOM   1102 C C   A GLN A 1 127 ? -23.718 -6.057  -13.679 0.25 18.69 ? 133 GLN B C   1 
ATOM   1103 C C   B GLN A 1 127 ? -23.758 -6.082  -13.661 0.25 19.45 ? 133 GLN B C   1 
ATOM   1104 O O   A GLN A 1 127 ? -23.393 -6.547  -12.570 0.25 17.76 ? 133 GLN B O   1 
ATOM   1105 O O   B GLN A 1 127 ? -23.555 -6.623  -12.544 0.25 18.33 ? 133 GLN B O   1 
ATOM   1106 C CB  A GLN A 1 127 ? -22.739 -3.766  -13.938 0.25 20.54 ? 133 GLN B CB  1 
ATOM   1107 C CB  B GLN A 1 127 ? -22.656 -3.819  -13.730 0.25 23.22 ? 133 GLN B CB  1 
ATOM   1108 C CG  A GLN A 1 127 ? -22.944 -2.270  -14.125 0.25 21.78 ? 133 GLN B CG  1 
ATOM   1109 C CG  B GLN A 1 127 ? -22.700 -2.497  -14.480 0.25 25.75 ? 133 GLN B CG  1 
ATOM   1110 C CD  A GLN A 1 127 ? -22.856 -1.531  -12.816 0.25 22.88 ? 133 GLN B CD  1 
ATOM   1111 C CD  B GLN A 1 127 ? -21.359 -1.805  -14.500 0.25 27.19 ? 133 GLN B CD  1 
ATOM   1112 O OE1 A GLN A 1 127 ? -22.145 -1.939  -11.902 0.25 22.74 ? 133 GLN B OE1 1 
ATOM   1113 O OE1 B GLN A 1 127 ? -20.364 -2.322  -15.018 0.25 29.60 ? 133 GLN B OE1 1 
ATOM   1114 N NE2 A GLN A 1 127 ? -23.591 -0.432  -12.720 0.25 23.59 ? 133 GLN B NE2 1 
ATOM   1115 N NE2 B GLN A 1 127 ? -21.331 -0.612  -13.938 0.25 27.66 ? 133 GLN B NE2 1 
ATOM   1116 N N   . ILE A 1 128 ? -23.801 -6.723  -14.835 1.00 18.17 ? 134 ILE B N   1 
ATOM   1117 C CA  . ILE A 1 128 ? -23.598 -8.185  -14.986 1.00 17.52 ? 134 ILE B CA  1 
ATOM   1118 C C   . ILE A 1 128 ? -22.377 -8.355  -15.890 1.00 17.39 ? 134 ILE B C   1 
ATOM   1119 O O   . ILE A 1 128 ? -22.343 -7.756  -16.994 1.00 16.24 ? 134 ILE B O   1 
ATOM   1120 C CB  . ILE A 1 128 ? -24.861 -8.855  -15.554 1.00 17.60 ? 134 ILE B CB  1 
ATOM   1121 C CG1 . ILE A 1 128 ? -26.126 -8.647  -14.706 1.00 18.32 ? 134 ILE B CG1 1 
ATOM   1122 C CG2 . ILE A 1 128 ? -24.607 -10.334 -15.820 1.00 18.25 ? 134 ILE B CG2 1 
ATOM   1123 C CD1 . ILE A 1 128 ? -26.166 -9.437  -13.502 1.00 18.33 ? 134 ILE B CD1 1 
ATOM   1124 N N   . GLY A 1 129 ? -21.447 -9.231  -15.493 1.00 19.11 ? 135 GLY B N   1 
ATOM   1125 C CA  . GLY A 1 129 ? -20.362 -9.697  -16.374 1.00 19.55 ? 135 GLY B CA  1 
ATOM   1126 C C   . GLY A 1 129 ? -20.690 -11.064 -16.960 1.00 17.72 ? 135 GLY B C   1 
ATOM   1127 O O   . GLY A 1 129 ? -21.230 -11.928 -16.224 1.00 16.88 ? 135 GLY B O   1 
ATOM   1128 N N   . ILE A 1 130 ? -20.439 -11.238 -18.261 1.00 17.37 ? 136 ILE B N   1 
ATOM   1129 C CA  . ILE A 1 130 ? -20.711 -12.485 -19.021 1.00 16.87 ? 136 ILE B CA  1 
ATOM   1130 C C   . ILE A 1 130 ? -19.394 -12.985 -19.619 1.00 17.03 ? 136 ILE B C   1 
ATOM   1131 O O   . ILE A 1 130 ? -18.736 -12.219 -20.294 1.00 16.87 ? 136 ILE B O   1 
ATOM   1132 C CB  . ILE A 1 130 ? -21.760 -12.238 -20.120 1.00 18.42 ? 136 ILE B CB  1 
ATOM   1133 C CG1 . ILE A 1 130 ? -23.055 -11.681 -19.524 1.00 20.77 ? 136 ILE B CG1 1 
ATOM   1134 C CG2 . ILE A 1 130 ? -21.999 -13.502 -20.948 1.00 18.19 ? 136 ILE B CG2 1 
ATOM   1135 C CD1 . ILE A 1 130 ? -24.065 -11.249 -20.529 1.00 25.30 ? 136 ILE B CD1 1 
ATOM   1136 N N   . PHE A 1 131 ? -18.993 -14.200 -19.279 1.00 16.77 ? 137 PHE B N   1 
ATOM   1137 C CA  . PHE A 1 131 ? -17.729 -14.848 -19.710 1.00 16.90 ? 137 PHE B CA  1 
ATOM   1138 C C   . PHE A 1 131 ? -18.088 -16.073 -20.538 1.00 14.96 ? 137 PHE B C   1 
ATOM   1139 O O   . PHE A 1 131 ? -18.886 -16.892 -20.069 1.00 16.44 ? 137 PHE B O   1 
ATOM   1140 C CB  . PHE A 1 131 ? -16.904 -15.275 -18.495 1.00 18.97 ? 137 PHE B CB  1 
ATOM   1141 C CG  . PHE A 1 131 ? -15.657 -16.035 -18.866 1.00 20.42 ? 137 PHE B CG  1 
ATOM   1142 C CD1 . PHE A 1 131 ? -14.633 -15.403 -19.562 1.00 21.75 ? 137 PHE B CD1 1 
ATOM   1143 C CD2 . PHE A 1 131 ? -15.515 -17.366 -18.531 1.00 20.98 ? 137 PHE B CD2 1 
ATOM   1144 C CE1 . PHE A 1 131 ? -13.473 -16.096 -19.877 1.00 23.78 ? 137 PHE B CE1 1 
ATOM   1145 C CE2 . PHE A 1 131 ? -14.369 -18.065 -18.881 1.00 22.63 ? 137 PHE B CE2 1 
ATOM   1146 C CZ  . PHE A 1 131 ? -13.345 -17.422 -19.531 1.00 21.73 ? 137 PHE B CZ  1 
ATOM   1147 N N   . VAL A 1 132 ? -17.517 -16.190 -21.737 1.00 15.62 ? 138 VAL B N   1 
ATOM   1148 C CA  . VAL A 1 132 ? -17.707 -17.392 -22.604 1.00 16.68 ? 138 VAL B CA  1 
ATOM   1149 C C   . VAL A 1 132 ? -16.341 -17.992 -22.905 1.00 16.15 ? 138 VAL B C   1 
ATOM   1150 O O   . VAL A 1 132 ? -15.450 -17.264 -23.382 1.00 17.51 ? 138 VAL B O   1 
ATOM   1151 C CB  . VAL A 1 132 ? -18.447 -17.068 -23.906 1.00 18.25 ? 138 VAL B CB  1 
ATOM   1152 C CG1 . VAL A 1 132 ? -18.592 -18.312 -24.794 1.00 19.06 ? 138 VAL B CG1 1 
ATOM   1153 C CG2 . VAL A 1 132 ? -19.785 -16.420 -23.584 1.00 19.01 ? 138 VAL B CG2 1 
ATOM   1154 N N   . ASP A 1 133 ? -16.173 -19.277 -22.577 1.00 17.12 ? 139 ASP B N   1 
ATOM   1155 C CA  . ASP A 1 133 ? -15.000 -20.088 -22.996 1.00 17.74 ? 139 ASP B CA  1 
ATOM   1156 C C   . ASP A 1 133 ? -15.523 -21.098 -24.011 1.00 16.36 ? 139 ASP B C   1 
ATOM   1157 O O   . ASP A 1 133 ? -16.178 -22.107 -23.646 1.00 16.69 ? 139 ASP B O   1 
ATOM   1158 C CB  . ASP A 1 133 ? -14.270 -20.667 -21.789 1.00 17.16 ? 139 ASP B CB  1 
ATOM   1159 C CG  . ASP A 1 133 ? -13.008 -21.432 -22.162 1.00 21.18 ? 139 ASP B CG  1 
ATOM   1160 O OD1 . ASP A 1 133 ? -12.870 -21.871 -23.364 1.00 19.81 ? 139 ASP B OD1 1 
ATOM   1161 O OD2 . ASP A 1 133 ? -12.190 -21.572 -21.230 1.00 24.77 ? 139 ASP B OD2 1 
ATOM   1162 N N   . TYR A 1 134 ? -15.299 -20.791 -25.282 1.00 17.25 ? 140 TYR B N   1 
ATOM   1163 C CA  . TYR A 1 134 ? -15.846 -21.596 -26.385 1.00 18.01 ? 140 TYR B CA  1 
ATOM   1164 C C   . TYR A 1 134 ? -15.310 -23.040 -26.275 1.00 18.47 ? 140 TYR B C   1 
ATOM   1165 O O   . TYR A 1 134 ? -16.093 -23.993 -26.256 1.00 19.35 ? 140 TYR B O   1 
ATOM   1166 C CB  . TYR A 1 134 ? -15.509 -21.007 -27.765 1.00 18.63 ? 140 TYR B CB  1 
ATOM   1167 C CG  . TYR A 1 134 ? -16.473 -21.541 -28.793 1.00 17.93 ? 140 TYR B CG  1 
ATOM   1168 C CD1 . TYR A 1 134 ? -16.304 -22.813 -29.325 1.00 17.75 ? 140 TYR B CD1 1 
ATOM   1169 C CD2 . TYR A 1 134 ? -17.604 -20.826 -29.188 1.00 18.28 ? 140 TYR B CD2 1 
ATOM   1170 C CE1 . TYR A 1 134 ? -17.206 -23.358 -30.218 1.00 18.99 ? 140 TYR B CE1 1 
ATOM   1171 C CE2 . TYR A 1 134 ? -18.533 -21.383 -30.047 1.00 16.60 ? 140 TYR B CE2 1 
ATOM   1172 C CZ  . TYR A 1 134 ? -18.320 -22.633 -30.601 1.00 17.32 ? 140 TYR B CZ  1 
ATOM   1173 O OH  . TYR A 1 134 ? -19.231 -23.198 -31.451 1.00 18.11 ? 140 TYR B OH  1 
ATOM   1174 N N   . GLU A 1 135 ? -13.996 -23.173 -26.180 1.00 20.77 ? 141 GLU B N   1 
ATOM   1175 C CA  . GLU A 1 135 ? -13.359 -24.515 -26.269 1.00 21.16 ? 141 GLU B CA  1 
ATOM   1176 C C   . GLU A 1 135 ? -13.804 -25.341 -25.064 1.00 21.23 ? 141 GLU B C   1 
ATOM   1177 O O   . GLU A 1 135 ? -14.142 -26.503 -25.265 1.00 23.24 ? 141 GLU B O   1 
ATOM   1178 C CB  . GLU A 1 135 ? -11.843 -24.402 -26.419 1.00 25.44 ? 141 GLU B CB  1 
ATOM   1179 C CG  . GLU A 1 135 ? -11.428 -24.333 -27.904 1.00 32.08 ? 141 GLU B CG  1 
ATOM   1180 C CD  . GLU A 1 135 ? -11.821 -23.024 -28.531 1.00 36.76 ? 141 GLU B CD  1 
ATOM   1181 O OE1 . GLU A 1 135 ? -12.299 -23.027 -29.645 1.00 31.91 ? 141 GLU B OE1 1 
ATOM   1182 O OE2 . GLU A 1 135 ? -11.689 -21.992 -27.846 1.00 51.53 ? 141 GLU B OE2 1 
ATOM   1183 N N   . ALA A 1 136 ? -13.877 -24.746 -23.874 1.00 19.80 ? 142 ALA B N   1 
ATOM   1184 C CA  . ALA A 1 136 ? -14.247 -25.437 -22.624 1.00 20.42 ? 142 ALA B CA  1 
ATOM   1185 C C   . ALA A 1 136 ? -15.752 -25.743 -22.553 1.00 20.94 ? 142 ALA B C   1 
ATOM   1186 O O   . ALA A 1 136 ? -16.149 -26.579 -21.721 1.00 20.75 ? 142 ALA B O   1 
ATOM   1187 C CB  . ALA A 1 136 ? -13.834 -24.595 -21.447 1.00 21.82 ? 142 ALA B CB  1 
ATOM   1188 N N   . GLY A 1 137 ? -16.603 -25.072 -23.343 1.00 16.65 ? 143 GLY B N   1 
ATOM   1189 C CA  . GLY A 1 137 ? -18.055 -25.243 -23.238 1.00 16.54 ? 143 GLY B CA  1 
ATOM   1190 C C   . GLY A 1 137 ? -18.606 -24.632 -21.945 1.00 17.51 ? 143 GLY B C   1 
ATOM   1191 O O   . GLY A 1 137 ? -19.383 -25.329 -21.258 1.00 17.33 ? 143 GLY B O   1 
ATOM   1192 N N   . VAL A 1 138 ? -18.214 -23.401 -21.634 1.00 16.82 ? 144 VAL B N   1 
ATOM   1193 C CA  . VAL A 1 138 ? -18.605 -22.679 -20.389 1.00 16.70 ? 144 VAL B CA  1 
ATOM   1194 C C   . VAL A 1 138 ? -19.208 -21.316 -20.713 1.00 15.97 ? 144 VAL B C   1 
ATOM   1195 O O   . VAL A 1 138 ? -18.605 -20.546 -21.506 1.00 17.54 ? 144 VAL B O   1 
ATOM   1196 C CB  . VAL A 1 138 ? -17.397 -22.523 -19.451 1.00 17.57 ? 144 VAL B CB  1 
ATOM   1197 C CG1 . VAL A 1 138 ? -17.683 -21.592 -18.270 1.00 19.54 ? 144 VAL B CG1 1 
ATOM   1198 C CG2 . VAL A 1 138 ? -16.929 -23.895 -18.992 1.00 18.67 ? 144 VAL B CG2 1 
ATOM   1199 N N   . VAL A 1 139 ? -20.287 -20.990 -20.012 1.00 15.44 ? 145 VAL B N   1 
ATOM   1200 C CA  . VAL A 1 139 ? -20.838 -19.597 -19.948 1.00 15.06 ? 145 VAL B CA  1 
ATOM   1201 C C   . VAL A 1 139 ? -21.055 -19.234 -18.477 1.00 13.74 ? 145 VAL B C   1 
ATOM   1202 O O   . VAL A 1 139 ? -21.829 -19.959 -17.821 1.00 14.51 ? 145 VAL B O   1 
ATOM   1203 C CB  . VAL A 1 139 ? -22.157 -19.483 -20.721 1.00 16.00 ? 145 VAL B CB  1 
ATOM   1204 C CG1 . VAL A 1 139 ? -22.649 -18.033 -20.686 1.00 16.27 ? 145 VAL B CG1 1 
ATOM   1205 C CG2 . VAL A 1 139 ? -22.024 -19.981 -22.145 1.00 15.68 ? 145 VAL B CG2 1 
ATOM   1206 N N   . SER A 1 140 ? -20.380 -18.207 -17.972 1.00 13.65 ? 146 SER B N   1 
ATOM   1207 C CA  . SER A 1 140 ? -20.474 -17.789 -16.547 1.00 15.17 ? 146 SER B CA  1 
ATOM   1208 C C   . SER A 1 140 ? -20.983 -16.347 -16.442 1.00 14.64 ? 146 SER B C   1 
ATOM   1209 O O   . SER A 1 140 ? -20.683 -15.513 -17.321 1.00 16.41 ? 146 SER B O   1 
ATOM   1210 C CB  . SER A 1 140 ? -19.149 -17.954 -15.856 1.00 16.08 ? 146 SER B CB  1 
ATOM   1211 O OG  . SER A 1 140 ? -18.767 -19.336 -15.789 1.00 16.30 ? 146 SER B OG  1 
ATOM   1212 N N   . PHE A 1 141 ? -21.679 -16.064 -15.362 1.00 15.26 ? 147 PHE B N   1 
ATOM   1213 C CA  . PHE A 1 141 ? -22.288 -14.748 -15.083 1.00 14.94 ? 147 PHE B CA  1 
ATOM   1214 C C   . PHE A 1 141 ? -21.775 -14.281 -13.731 1.00 16.09 ? 147 PHE B C   1 
ATOM   1215 O O   . PHE A 1 141 ? -21.778 -15.094 -12.775 1.00 15.68 ? 147 PHE B O   1 
ATOM   1216 C CB  . PHE A 1 141 ? -23.813 -14.867 -15.086 1.00 15.16 ? 147 PHE B CB  1 
ATOM   1217 C CG  . PHE A 1 141 ? -24.395 -15.248 -16.412 1.00 16.09 ? 147 PHE B CG  1 
ATOM   1218 C CD1 . PHE A 1 141 ? -24.454 -16.584 -16.793 1.00 14.10 ? 147 PHE B CD1 1 
ATOM   1219 C CD2 . PHE A 1 141 ? -24.883 -14.271 -17.266 1.00 15.29 ? 147 PHE B CD2 1 
ATOM   1220 C CE1 . PHE A 1 141 ? -24.950 -16.934 -18.038 1.00 13.19 ? 147 PHE B CE1 1 
ATOM   1221 C CE2 . PHE A 1 141 ? -25.404 -14.624 -18.506 1.00 14.06 ? 147 PHE B CE2 1 
ATOM   1222 C CZ  . PHE A 1 141 ? -25.434 -15.953 -18.900 1.00 13.57 ? 147 PHE B CZ  1 
ATOM   1223 N N   . TYR A 1 142 ? -21.391 -13.007 -13.654 1.00 16.64 ? 148 TYR B N   1 
ATOM   1224 C CA  . TYR A 1 142 ? -20.757 -12.410 -12.455 1.00 15.68 ? 148 TYR B CA  1 
ATOM   1225 C C   . TYR A 1 142 ? -21.525 -11.144 -12.034 1.00 17.95 ? 148 TYR B C   1 
ATOM   1226 O O   . TYR A 1 142 ? -22.021 -10.359 -12.863 1.00 18.89 ? 148 TYR B O   1 
ATOM   1227 C CB  . TYR A 1 142 ? -19.286 -12.115 -12.737 1.00 16.26 ? 148 TYR B CB  1 
ATOM   1228 C CG  . TYR A 1 142 ? -18.482 -13.351 -13.033 1.00 15.48 ? 148 TYR B CG  1 
ATOM   1229 C CD1 . TYR A 1 142 ? -18.041 -14.154 -11.999 1.00 17.64 ? 148 TYR B CD1 1 
ATOM   1230 C CD2 . TYR A 1 142 ? -18.304 -13.808 -14.327 1.00 17.65 ? 148 TYR B CD2 1 
ATOM   1231 C CE1 . TYR A 1 142 ? -17.313 -15.307 -12.253 1.00 18.89 ? 148 TYR B CE1 1 
ATOM   1232 C CE2 . TYR A 1 142 ? -17.588 -14.967 -14.599 1.00 17.91 ? 148 TYR B CE2 1 
ATOM   1233 C CZ  . TYR A 1 142 ? -17.078 -15.713 -13.554 1.00 19.42 ? 148 TYR B CZ  1 
ATOM   1234 O OH  . TYR A 1 142 ? -16.414 -16.889 -13.814 1.00 19.22 ? 148 TYR B OH  1 
ATOM   1235 N N   . ASN A 1 143 ? -21.590 -10.930 -10.732 1.00 17.28 ? 149 ASN B N   1 
ATOM   1236 C CA  . ASN A 1 143 ? -22.270 -9.761  -10.101 1.00 16.86 ? 149 ASN B CA  1 
ATOM   1237 C C   . ASN A 1 143 ? -21.204 -8.670  -9.919  1.00 17.83 ? 149 ASN B C   1 
ATOM   1238 O O   . ASN A 1 143 ? -20.452 -8.678  -8.885  1.00 20.37 ? 149 ASN B O   1 
ATOM   1239 C CB  . ASN A 1 143 ? -22.947 -10.213 -8.808  1.00 17.65 ? 149 ASN B CB  1 
ATOM   1240 C CG  . ASN A 1 143 ? -23.724 -9.102  -8.139  1.00 19.18 ? 149 ASN B CG  1 
ATOM   1241 O OD1 . ASN A 1 143 ? -23.529 -7.938  -8.496  1.00 19.49 ? 149 ASN B OD1 1 
ATOM   1242 N ND2 . ASN A 1 143 ? -24.617 -9.474  -7.255  1.00 18.60 ? 149 ASN B ND2 1 
ATOM   1243 N N   . ILE A 1 144 ? -21.144 -7.699  -10.822 1.00 18.46 ? 150 ILE B N   1 
ATOM   1244 C CA  . ILE A 1 144 ? -20.085 -6.652  -10.779 1.00 19.47 ? 150 ILE B CA  1 
ATOM   1245 C C   . ILE A 1 144 ? -20.314 -5.808  -9.501  1.00 21.10 ? 150 ILE B C   1 
ATOM   1246 O O   . ILE A 1 144 ? -19.331 -5.361  -8.893  1.00 22.23 ? 150 ILE B O   1 
ATOM   1247 C CB  . ILE A 1 144 ? -20.071 -5.817  -12.072 1.00 22.76 ? 150 ILE B CB  1 
ATOM   1248 C CG1 . ILE A 1 144 ? -19.886 -6.652  -13.349 1.00 23.74 ? 150 ILE B CG1 1 
ATOM   1249 C CG2 . ILE A 1 144 ? -19.004 -4.730  -12.007 1.00 24.29 ? 150 ILE B CG2 1 
ATOM   1250 C CD1 . ILE A 1 144 ? -18.834 -7.742  -13.213 1.00 27.26 ? 150 ILE B CD1 1 
ATOM   1251 N N   . THR A 1 145 ? -21.558 -5.582  -9.119  1.00 21.36 ? 151 THR B N   1 
ATOM   1252 C CA  . THR A 1 145 ? -21.953 -4.724  -7.951  1.00 22.22 ? 151 THR B CA  1 
ATOM   1253 C C   . THR A 1 145 ? -21.418 -5.327  -6.651  1.00 25.73 ? 151 THR B C   1 
ATOM   1254 O O   . THR A 1 145 ? -21.070 -4.564  -5.719  1.00 27.86 ? 151 THR B O   1 
ATOM   1255 C CB  . THR A 1 145 ? -23.480 -4.578  -7.893  1.00 22.24 ? 151 THR B CB  1 
ATOM   1256 O OG1 . THR A 1 145 ? -23.910 -4.070  -9.159  1.00 22.63 ? 151 THR B OG1 1 
ATOM   1257 C CG2 . THR A 1 145 ? -23.932 -3.659  -6.776  1.00 25.88 ? 151 THR B CG2 1 
ATOM   1258 N N   . ASP A 1 146 ? -21.337 -6.650  -6.587  1.00 25.05 ? 152 ASP B N   1 
ATOM   1259 C CA  . ASP A 1 146 ? -20.859 -7.421  -5.412  1.00 26.11 ? 152 ASP B CA  1 
ATOM   1260 C C   . ASP A 1 146 ? -19.452 -7.964  -5.678  1.00 27.89 ? 152 ASP B C   1 
ATOM   1261 O O   . ASP A 1 146 ? -19.254 -9.165  -5.532  1.00 28.32 ? 152 ASP B O   1 
ATOM   1262 C CB  . ASP A 1 146 ? -21.898 -8.473  -5.070  1.00 24.61 ? 152 ASP B CB  1 
ATOM   1263 C CG  . ASP A 1 146 ? -21.526 -9.261  -3.840  1.00 31.44 ? 152 ASP B CG  1 
ATOM   1264 O OD1 . ASP A 1 146 ? -21.104 -8.615  -2.835  1.00 27.69 ? 152 ASP B OD1 1 
ATOM   1265 O OD2 . ASP A 1 146 ? -21.649 -10.503 -3.915  1.00 30.34 ? 152 ASP B OD2 1 
ATOM   1266 N N   . HIS A 1 147 ? -18.516 -7.106  -6.100  1.00 28.12 ? 153 HIS B N   1 
ATOM   1267 C CA  . HIS A 1 147 ? -17.072 -7.443  -6.222  1.00 32.56 ? 153 HIS B CA  1 
ATOM   1268 C C   . HIS A 1 147 ? -16.886 -8.629  -7.180  1.00 29.87 ? 153 HIS B C   1 
ATOM   1269 O O   . HIS A 1 147 ? -15.914 -9.366  -7.026  1.00 28.99 ? 153 HIS B O   1 
ATOM   1270 C CB  . HIS A 1 147 ? -16.452 -7.792  -4.857  1.00 40.80 ? 153 HIS B CB  1 
ATOM   1271 C CG  . HIS A 1 147 ? -16.753 -6.848  -3.731  1.00 48.34 ? 153 HIS B CG  1 
ATOM   1272 N ND1 . HIS A 1 147 ? -16.147 -5.605  -3.615  1.00 59.69 ? 153 HIS B ND1 1 
ATOM   1273 C CD2 . HIS A 1 147 ? -17.533 -6.991  -2.634  1.00 54.54 ? 153 HIS B CD2 1 
ATOM   1274 C CE1 . HIS A 1 147 ? -16.576 -5.005  -2.518  1.00 62.68 ? 153 HIS B CE1 1 
ATOM   1275 N NE2 . HIS A 1 147 ? -17.428 -5.837  -1.896  1.00 60.17 ? 153 HIS B NE2 1 
ATOM   1276 N N   . GLY A 1 148 ? -17.779 -8.841  -8.143  1.00 25.93 ? 154 GLY B N   1 
ATOM   1277 C CA  . GLY A 1 148 ? -17.521 -9.846  -9.193  1.00 22.53 ? 154 GLY B CA  1 
ATOM   1278 C C   . GLY A 1 148 ? -17.906 -11.253 -8.764  1.00 20.42 ? 154 GLY B C   1 
ATOM   1279 O O   . GLY A 1 148 ? -17.328 -12.203 -9.333  1.00 20.93 ? 154 GLY B O   1 
ATOM   1280 N N   . SER A 1 149 ? -18.747 -11.400 -7.743  1.00 21.58 ? 155 SER B N   1 
ATOM   1281 C CA  . SER A 1 149 ? -19.172 -12.707 -7.191  1.00 21.64 ? 155 SER B CA  1 
ATOM   1282 C C   . SER A 1 149 ? -19.857 -13.537 -8.288  1.00 20.23 ? 155 SER B C   1 
ATOM   1283 O O   . SER A 1 149 ? -20.593 -12.987 -9.115  1.00 18.98 ? 155 SER B O   1 
ATOM   1284 C CB  . SER A 1 149 ? -20.036 -12.575 -5.940  1.00 22.66 ? 155 SER B CB  1 
ATOM   1285 O OG  . SER A 1 149 ? -21.228 -11.817 -6.137  1.00 23.92 ? 155 SER B OG  1 
ATOM   1286 N N   . LEU A 1 150 ? -19.619 -14.837 -8.308  1.00 19.05 ? 156 LEU B N   1 
ATOM   1287 C CA  . LEU A 1 150 ? -20.290 -15.729 -9.294  1.00 18.01 ? 156 LEU B CA  1 
ATOM   1288 C C   . LEU A 1 150 ? -21.800 -15.789 -9.070  1.00 17.60 ? 156 LEU B C   1 
ATOM   1289 O O   . LEU A 1 150 ? -22.278 -16.005 -7.912  1.00 17.78 ? 156 LEU B O   1 
ATOM   1290 C CB  . LEU A 1 150 ? -19.701 -17.141 -9.179  1.00 18.21 ? 156 LEU B CB  1 
ATOM   1291 C CG  . LEU A 1 150 ? -20.245 -18.208 -10.132 1.00 18.39 ? 156 LEU B CG  1 
ATOM   1292 C CD1 . LEU A 1 150 ? -19.878 -17.945 -11.592 1.00 17.61 ? 156 LEU B CD1 1 
ATOM   1293 C CD2 . LEU A 1 150 ? -19.687 -19.585 -9.730  1.00 19.13 ? 156 LEU B CD2 1 
ATOM   1294 N N   . ILE A 1 151 ? -22.538 -15.660 -10.160 1.00 15.58 ? 157 ILE B N   1 
ATOM   1295 C CA  . ILE A 1 151 ? -24.000 -15.874 -10.193 1.00 17.00 ? 157 ILE B CA  1 
ATOM   1296 C C   . ILE A 1 151 ? -24.305 -17.298 -10.647 1.00 17.57 ? 157 ILE B C   1 
ATOM   1297 O O   . ILE A 1 151 ? -25.144 -17.984 -10.017 1.00 15.61 ? 157 ILE B O   1 
ATOM   1298 C CB  . ILE A 1 151 ? -24.694 -14.805 -11.056 1.00 17.51 ? 157 ILE B CB  1 
ATOM   1299 C CG1 . ILE A 1 151 ? -24.483 -13.404 -10.486 1.00 16.76 ? 157 ILE B CG1 1 
ATOM   1300 C CG2 . ILE A 1 151 ? -26.173 -15.153 -11.212 1.00 18.21 ? 157 ILE B CG2 1 
ATOM   1301 C CD1 . ILE A 1 151 ? -24.935 -12.286 -11.387 1.00 17.96 ? 157 ILE B CD1 1 
ATOM   1302 N N   . TYR A 1 152 ? -23.768 -17.687 -11.796 1.00 16.20 ? 158 TYR B N   1 
ATOM   1303 C CA  . TYR A 1 152 ? -24.123 -18.982 -12.409 1.00 15.38 ? 158 TYR B CA  1 
ATOM   1304 C C   . TYR A 1 152 ? -23.083 -19.375 -13.446 1.00 15.46 ? 158 TYR B C   1 
ATOM   1305 O O   . TYR A 1 152 ? -22.608 -18.496 -14.180 1.00 15.34 ? 158 TYR B O   1 
ATOM   1306 C CB  . TYR A 1 152 ? -25.473 -18.909 -13.144 1.00 16.08 ? 158 TYR B CB  1 
ATOM   1307 C CG  . TYR A 1 152 ? -26.040 -20.256 -13.462 1.00 15.18 ? 158 TYR B CG  1 
ATOM   1308 C CD1 . TYR A 1 152 ? -26.653 -21.044 -12.487 1.00 16.82 ? 158 TYR B CD1 1 
ATOM   1309 C CD2 . TYR A 1 152 ? -25.929 -20.791 -14.736 1.00 14.95 ? 158 TYR B CD2 1 
ATOM   1310 C CE1 . TYR A 1 152 ? -27.117 -22.322 -12.773 1.00 17.37 ? 158 TYR B CE1 1 
ATOM   1311 C CE2 . TYR A 1 152 ? -26.403 -22.057 -15.036 1.00 15.94 ? 158 TYR B CE2 1 
ATOM   1312 C CZ  . TYR A 1 152 ? -26.986 -22.840 -14.056 1.00 16.33 ? 158 TYR B CZ  1 
ATOM   1313 O OH  . TYR A 1 152 ? -27.421 -24.108 -14.344 1.00 18.98 ? 158 TYR B OH  1 
ATOM   1314 N N   . THR A 1 153 ? -22.818 -20.677 -13.527 1.00 15.58 ? 159 THR B N   1 
ATOM   1315 C CA  . THR A 1 153 ? -21.990 -21.308 -14.591 1.00 16.49 ? 159 THR B CA  1 
ATOM   1316 C C   . THR A 1 153 ? -22.783 -22.425 -15.286 1.00 16.22 ? 159 THR B C   1 
ATOM   1317 O O   . THR A 1 153 ? -23.197 -23.408 -14.622 1.00 16.72 ? 159 THR B O   1 
ATOM   1318 C CB  . THR A 1 153 ? -20.667 -21.859 -14.047 1.00 17.36 ? 159 THR B CB  1 
ATOM   1319 O OG1 . THR A 1 153 ? -19.867 -20.760 -13.639 1.00 15.66 ? 159 THR B OG1 1 
ATOM   1320 C CG2 . THR A 1 153 ? -19.922 -22.712 -15.061 1.00 17.04 ? 159 THR B CG2 1 
ATOM   1321 N N   . PHE A 1 154 ? -22.992 -22.280 -16.605 1.00 16.24 ? 160 PHE B N   1 
ATOM   1322 C CA  . PHE A 1 154 ? -23.384 -23.359 -17.529 1.00 15.00 ? 160 PHE B CA  1 
ATOM   1323 C C   . PHE A 1 154 ? -22.080 -24.050 -17.944 1.00 17.38 ? 160 PHE B C   1 
ATOM   1324 O O   . PHE A 1 154 ? -21.181 -23.384 -18.485 1.00 16.12 ? 160 PHE B O   1 
ATOM   1325 C CB  . PHE A 1 154 ? -24.058 -22.816 -18.794 1.00 16.23 ? 160 PHE B CB  1 
ATOM   1326 C CG  . PHE A 1 154 ? -25.416 -22.203 -18.624 1.00 14.53 ? 160 PHE B CG  1 
ATOM   1327 C CD1 . PHE A 1 154 ? -25.555 -20.854 -18.326 1.00 14.84 ? 160 PHE B CD1 1 
ATOM   1328 C CD2 . PHE A 1 154 ? -26.561 -22.953 -18.830 1.00 15.70 ? 160 PHE B CD2 1 
ATOM   1329 C CE1 . PHE A 1 154 ? -26.820 -20.286 -18.216 1.00 16.01 ? 160 PHE B CE1 1 
ATOM   1330 C CE2 . PHE A 1 154 ? -27.818 -22.370 -18.753 1.00 15.60 ? 160 PHE B CE2 1 
ATOM   1331 C CZ  . PHE A 1 154 ? -27.947 -21.038 -18.435 1.00 14.03 ? 160 PHE B CZ  1 
ATOM   1332 N N   . SER A 1 155 ? -21.962 -25.338 -17.681 1.00 18.53 ? 161 SER B N   1 
ATOM   1333 C CA  . SER A 1 155 ? -20.808 -26.127 -18.131 1.00 18.96 ? 161 SER B CA  1 
ATOM   1334 C C   . SER A 1 155 ? -21.306 -27.265 -19.020 1.00 18.51 ? 161 SER B C   1 
ATOM   1335 O O   . SER A 1 155 ? -22.534 -27.522 -19.105 1.00 20.26 ? 161 SER B O   1 
ATOM   1336 C CB  . SER A 1 155 ? -20.023 -26.613 -16.917 1.00 20.67 ? 161 SER B CB  1 
ATOM   1337 O OG  . SER A 1 155 ? -20.772 -27.563 -16.197 1.00 23.45 ? 161 SER B OG  1 
ATOM   1338 N N   . GLU A 1 156 ? -20.375 -27.934 -19.689 1.00 21.14 ? 162 GLU B N   1 
ATOM   1339 C CA  . GLU A 1 156 ? -20.703 -28.984 -20.693 1.00 21.97 ? 162 GLU B CA  1 
ATOM   1340 C C   . GLU A 1 156 ? -21.668 -28.418 -21.752 1.00 21.16 ? 162 GLU B C   1 
ATOM   1341 O O   . GLU A 1 156 ? -22.602 -29.160 -22.222 1.00 21.03 ? 162 GLU B O   1 
ATOM   1342 C CB  . GLU A 1 156 ? -21.388 -30.186 -20.062 1.00 25.52 ? 162 GLU B CB  1 
ATOM   1343 C CG  . GLU A 1 156 ? -20.765 -30.667 -18.782 1.00 32.71 ? 162 GLU B CG  1 
ATOM   1344 C CD  . GLU A 1 156 ? -21.422 -31.968 -18.364 1.00 42.04 ? 162 GLU B CD  1 
ATOM   1345 O OE1 . GLU A 1 156 ? -22.584 -31.934 -17.879 1.00 45.54 ? 162 GLU B OE1 1 
ATOM   1346 O OE2 . GLU A 1 156 ? -20.801 -33.017 -18.590 1.00 50.80 ? 162 GLU B OE2 1 
ATOM   1347 N N   . CYS A 1 157 ? -21.502 -27.150 -22.114 1.00 20.96 ? 163 CYS B N   1 
ATOM   1348 C CA  . CYS A 1 157 ? -22.401 -26.511 -23.111 1.00 18.26 ? 163 CYS B CA  1 
ATOM   1349 C C   . CYS A 1 157 ? -22.155 -27.165 -24.463 1.00 19.15 ? 163 CYS B C   1 
ATOM   1350 O O   . CYS A 1 157 ? -20.933 -27.340 -24.834 1.00 19.96 ? 163 CYS B O   1 
ATOM   1351 C CB  . CYS A 1 157 ? -22.187 -25.019 -23.266 1.00 18.22 ? 163 CYS B CB  1 
ATOM   1352 S SG  . CYS A 1 157 ? -22.527 -24.089 -21.744 1.00 18.76 ? 163 CYS B SG  1 
ATOM   1353 N N   . VAL A 1 158 ? -23.234 -27.382 -25.218 1.00 18.42 ? 164 VAL B N   1 
ATOM   1354 C CA  . VAL A 1 158 ? -23.124 -27.843 -26.632 1.00 20.74 ? 164 VAL B CA  1 
ATOM   1355 C C   . VAL A 1 158 ? -23.542 -26.688 -27.545 1.00 18.14 ? 164 VAL B C   1 
ATOM   1356 O O   . VAL A 1 158 ? -24.718 -26.581 -27.938 1.00 22.10 ? 164 VAL B O   1 
ATOM   1357 C CB  . VAL A 1 158 ? -23.909 -29.155 -26.870 1.00 22.63 ? 164 VAL B CB  1 
ATOM   1358 C CG1 . VAL A 1 158 ? -23.808 -29.614 -28.330 1.00 24.70 ? 164 VAL B CG1 1 
ATOM   1359 C CG2 . VAL A 1 158 ? -23.439 -30.253 -25.926 1.00 24.24 ? 164 VAL B CG2 1 
ATOM   1360 N N   . PHE A 1 159 ? -22.600 -25.804 -27.879 1.00 16.79 ? 165 PHE B N   1 
ATOM   1361 C CA  . PHE A 1 159 ? -22.910 -24.547 -28.599 1.00 17.90 ? 165 PHE B CA  1 
ATOM   1362 C C   . PHE A 1 159 ? -23.439 -24.885 -29.999 1.00 21.13 ? 165 PHE B C   1 
ATOM   1363 O O   . PHE A 1 159 ? -24.451 -24.304 -30.415 1.00 20.63 ? 165 PHE B O   1 
ATOM   1364 C CB  . PHE A 1 159 ? -21.704 -23.621 -28.621 1.00 18.02 ? 165 PHE B CB  1 
ATOM   1365 C CG  . PHE A 1 159 ? -21.254 -23.139 -27.264 1.00 16.47 ? 165 PHE B CG  1 
ATOM   1366 C CD1 . PHE A 1 159 ? -22.166 -22.623 -26.349 1.00 17.39 ? 165 PHE B CD1 1 
ATOM   1367 C CD2 . PHE A 1 159 ? -19.914 -23.181 -26.901 1.00 17.96 ? 165 PHE B CD2 1 
ATOM   1368 C CE1 . PHE A 1 159 ? -21.758 -22.185 -25.098 1.00 17.38 ? 165 PHE B CE1 1 
ATOM   1369 C CE2 . PHE A 1 159 ? -19.495 -22.720 -25.665 1.00 18.71 ? 165 PHE B CE2 1 
ATOM   1370 C CZ  . PHE A 1 159 ? -20.415 -22.218 -24.765 1.00 18.09 ? 165 PHE B CZ  1 
ATOM   1371 N N   . ALA A 1 160 ? -22.801 -25.839 -30.675 1.00 19.38 ? 166 ALA B N   1 
ATOM   1372 C CA  . ALA A 1 160 ? -23.256 -26.399 -31.963 1.00 20.44 ? 166 ALA B CA  1 
ATOM   1373 C C   . ALA A 1 160 ? -23.358 -25.321 -33.050 1.00 20.70 ? 166 ALA B C   1 
ATOM   1374 O O   . ALA A 1 160 ? -24.142 -25.522 -34.007 1.00 21.02 ? 166 ALA B O   1 
ATOM   1375 C CB  . ALA A 1 160 ? -24.566 -27.109 -31.783 1.00 20.05 ? 166 ALA B CB  1 
ATOM   1376 N N   . GLY A 1 161 ? -22.571 -24.258 -32.944 1.00 21.21 ? 167 GLY B N   1 
ATOM   1377 C CA  . GLY A 1 161 ? -22.562 -23.154 -33.916 1.00 22.32 ? 167 GLY B CA  1 
ATOM   1378 C C   . GLY A 1 161 ? -21.861 -21.908 -33.409 1.00 21.18 ? 167 GLY B C   1 
ATOM   1379 O O   . GLY A 1 161 ? -21.460 -21.823 -32.240 1.00 20.43 ? 167 GLY B O   1 
ATOM   1380 N N   . PRO A 1 162 ? -21.749 -20.882 -34.270 1.00 19.07 ? 168 PRO B N   1 
ATOM   1381 C CA  . PRO A 1 162 ? -21.271 -19.590 -33.819 1.00 17.95 ? 168 PRO B CA  1 
ATOM   1382 C C   . PRO A 1 162 ? -22.243 -19.037 -32.762 1.00 18.70 ? 168 PRO B C   1 
ATOM   1383 O O   . PRO A 1 162 ? -23.464 -19.293 -32.834 1.00 17.59 ? 168 PRO B O   1 
ATOM   1384 C CB  . PRO A 1 162 ? -21.266 -18.689 -35.065 1.00 18.79 ? 168 PRO B CB  1 
ATOM   1385 C CG  . PRO A 1 162 ? -21.370 -19.668 -36.235 1.00 18.50 ? 168 PRO B CG  1 
ATOM   1386 C CD  . PRO A 1 162 ? -22.111 -20.873 -35.700 1.00 19.10 ? 168 PRO B CD  1 
ATOM   1387 N N   . LEU A 1 163 ? -21.688 -18.297 -31.806 1.00 16.59 ? 169 LEU B N   1 
ATOM   1388 C CA  . LEU A 1 163 ? -22.480 -17.659 -30.708 1.00 17.28 ? 169 LEU B CA  1 
ATOM   1389 C C   . LEU A 1 163 ? -22.592 -16.161 -30.939 1.00 16.39 ? 169 LEU B C   1 
ATOM   1390 O O   . LEU A 1 163 ? -21.623 -15.519 -31.429 1.00 17.70 ? 169 LEU B O   1 
ATOM   1391 C CB  . LEU A 1 163 ? -21.783 -17.901 -29.379 1.00 17.20 ? 169 LEU B CB  1 
ATOM   1392 C CG  . LEU A 1 163 ? -21.765 -19.340 -28.879 1.00 16.36 ? 169 LEU B CG  1 
ATOM   1393 C CD1 . LEU A 1 163 ? -20.950 -19.420 -27.598 1.00 17.88 ? 169 LEU B CD1 1 
ATOM   1394 C CD2 . LEU A 1 163 ? -23.189 -19.859 -28.703 1.00 18.17 ? 169 LEU B CD2 1 
ATOM   1395 N N   . ARG A 1 164 ? -23.722 -15.596 -30.514 1.00 17.28 ? 170 ARG B N   1 
ATOM   1396 C CA  . ARG A 1 164 ? -23.951 -14.143 -30.520 1.00 17.60 ? 170 ARG B CA  1 
ATOM   1397 C C   . ARG A 1 164 ? -24.369 -13.686 -29.139 1.00 16.20 ? 170 ARG B C   1 
ATOM   1398 O O   . ARG A 1 164 ? -25.153 -14.374 -28.499 1.00 15.17 ? 170 ARG B O   1 
ATOM   1399 C CB  . ARG A 1 164 ? -24.979 -13.831 -31.598 1.00 18.87 ? 170 ARG B CB  1 
ATOM   1400 C CG  . ARG A 1 164 ? -24.404 -14.168 -32.969 1.00 21.00 ? 170 ARG B CG  1 
ATOM   1401 C CD  . ARG A 1 164 ? -25.293 -13.771 -34.093 1.00 23.44 ? 170 ARG B CD  1 
ATOM   1402 N NE  . ARG A 1 164 ? -25.402 -12.326 -34.181 1.00 21.55 ? 170 ARG B NE  1 
ATOM   1403 C CZ  . ARG A 1 164 ? -26.100 -11.705 -35.115 1.00 23.31 ? 170 ARG B CZ  1 
ATOM   1404 N NH1 . ARG A 1 164 ? -26.683 -12.414 -36.071 1.00 21.64 ? 170 ARG B NH1 1 
ATOM   1405 N NH2 . ARG A 1 164 ? -26.164 -10.383 -35.127 1.00 19.81 ? 170 ARG B NH2 1 
ATOM   1406 N N   . PRO A 1 165 ? -23.886 -12.510 -28.688 1.00 15.55 ? 171 PRO B N   1 
ATOM   1407 C CA  . PRO A 1 165 ? -24.413 -11.874 -27.465 1.00 15.84 ? 171 PRO B CA  1 
ATOM   1408 C C   . PRO A 1 165 ? -25.936 -11.755 -27.615 1.00 15.46 ? 171 PRO B C   1 
ATOM   1409 O O   . PRO A 1 165 ? -26.424 -11.399 -28.724 1.00 14.51 ? 171 PRO B O   1 
ATOM   1410 C CB  . PRO A 1 165 ? -23.708 -10.505 -27.405 1.00 16.77 ? 171 PRO B CB  1 
ATOM   1411 C CG  . PRO A 1 165 ? -22.458 -10.725 -28.227 1.00 16.66 ? 171 PRO B CG  1 
ATOM   1412 C CD  . PRO A 1 165 ? -22.890 -11.645 -29.355 1.00 16.86 ? 171 PRO B CD  1 
ATOM   1413 N N   . PHE A 1 166 ? -26.674 -12.012 -26.526 1.00 14.30 ? 172 PHE B N   1 
ATOM   1414 C CA  . PHE A 1 166 ? -28.156 -12.051 -26.519 1.00 15.80 ? 172 PHE B CA  1 
ATOM   1415 C C   . PHE A 1 166 ? -28.705 -11.100 -25.438 1.00 14.88 ? 172 PHE B C   1 
ATOM   1416 O O   . PHE A 1 166 ? -28.177 -11.061 -24.325 1.00 14.36 ? 172 PHE B O   1 
ATOM   1417 C CB  . PHE A 1 166 ? -28.630 -13.477 -26.287 1.00 14.76 ? 172 PHE B CB  1 
ATOM   1418 C CG  . PHE A 1 166 ? -30.132 -13.530 -26.121 1.00 15.76 ? 172 PHE B CG  1 
ATOM   1419 C CD1 . PHE A 1 166 ? -30.979 -13.493 -27.225 1.00 15.10 ? 172 PHE B CD1 1 
ATOM   1420 C CD2 . PHE A 1 166 ? -30.696 -13.555 -24.849 1.00 16.01 ? 172 PHE B CD2 1 
ATOM   1421 C CE1 . PHE A 1 166 ? -32.353 -13.580 -27.062 1.00 16.70 ? 172 PHE B CE1 1 
ATOM   1422 C CE2 . PHE A 1 166 ? -32.070 -13.638 -24.690 1.00 15.81 ? 172 PHE B CE2 1 
ATOM   1423 C CZ  . PHE A 1 166 ? -32.892 -13.663 -25.792 1.00 15.43 ? 172 PHE B CZ  1 
ATOM   1424 N N   . PHE A 1 167 ? -29.752 -10.327 -25.775 1.00 15.16 ? 173 PHE B N   1 
ATOM   1425 C CA  . PHE A 1 167 ? -30.353 -9.300  -24.886 1.00 15.95 ? 173 PHE B CA  1 
ATOM   1426 C C   . PHE A 1 167 ? -31.868 -9.374  -24.989 1.00 16.45 ? 173 PHE B C   1 
ATOM   1427 O O   . PHE A 1 167 ? -32.369 -9.439  -26.111 1.00 15.33 ? 173 PHE B O   1 
ATOM   1428 C CB  . PHE A 1 167 ? -29.864 -7.889  -25.251 1.00 16.02 ? 173 PHE B CB  1 
ATOM   1429 C CG  . PHE A 1 167 ? -28.366 -7.745  -25.350 1.00 16.50 ? 173 PHE B CG  1 
ATOM   1430 C CD1 . PHE A 1 167 ? -27.733 -8.096  -26.532 1.00 15.32 ? 173 PHE B CD1 1 
ATOM   1431 C CD2 . PHE A 1 167 ? -27.601 -7.314  -24.275 1.00 15.97 ? 173 PHE B CD2 1 
ATOM   1432 C CE1 . PHE A 1 167 ? -26.351 -8.000  -26.653 1.00 16.65 ? 173 PHE B CE1 1 
ATOM   1433 C CE2 . PHE A 1 167 ? -26.231 -7.165  -24.405 1.00 16.52 ? 173 PHE B CE2 1 
ATOM   1434 C CZ  . PHE A 1 167 ? -25.610 -7.535  -25.587 1.00 17.49 ? 173 PHE B CZ  1 
ATOM   1435 N N   . ASN A 1 168 ? -32.546 -9.207  -23.853 1.00 15.08 ? 174 ASN B N   1 
ATOM   1436 C CA  . ASN A 1 168 ? -33.998 -8.941  -23.828 1.00 14.36 ? 174 ASN B CA  1 
ATOM   1437 C C   . ASN A 1 168 ? -34.223 -7.793  -22.843 1.00 14.37 ? 174 ASN B C   1 
ATOM   1438 O O   . ASN A 1 168 ? -33.884 -7.975  -21.646 1.00 14.17 ? 174 ASN B O   1 
ATOM   1439 C CB  . ASN A 1 168 ? -34.775 -10.196 -23.457 1.00 14.87 ? 174 ASN B CB  1 
ATOM   1440 C CG  . ASN A 1 168 ? -36.262 -9.994  -23.544 1.00 15.95 ? 174 ASN B CG  1 
ATOM   1441 O OD1 . ASN A 1 168 ? -36.755 -8.903  -23.844 1.00 15.73 ? 174 ASN B OD1 1 
ATOM   1442 N ND2 . ASN A 1 168 ? -36.995 -11.050 -23.246 1.00 17.37 ? 174 ASN B ND2 1 
ATOM   1443 N N   . VAL A 1 169 ? -34.736 -6.640  -23.313 1.00 14.36 ? 175 VAL B N   1 
ATOM   1444 C CA  . VAL A 1 169 ? -34.982 -5.482  -22.388 1.00 14.60 ? 175 VAL B CA  1 
ATOM   1445 C C   . VAL A 1 169 ? -36.240 -5.720  -21.552 1.00 14.79 ? 175 VAL B C   1 
ATOM   1446 O O   . VAL A 1 169 ? -36.491 -4.892  -20.650 1.00 15.82 ? 175 VAL B O   1 
ATOM   1447 C CB  . VAL A 1 169 ? -35.042 -4.121  -23.119 1.00 15.85 ? 175 VAL B CB  1 
ATOM   1448 C CG1 . VAL A 1 169 ? -33.739 -3.826  -23.822 1.00 17.22 ? 175 VAL B CG1 1 
ATOM   1449 C CG2 . VAL A 1 169 ? -36.201 -4.077  -24.112 1.00 15.79 ? 175 VAL B CG2 1 
ATOM   1450 N N   . GLY A 1 170 ? -37.064 -6.701  -21.948 1.00 16.14 ? 176 GLY B N   1 
ATOM   1451 C CA  . GLY A 1 170 ? -38.326 -7.040  -21.272 1.00 17.16 ? 176 GLY B CA  1 
ATOM   1452 C C   . GLY A 1 170 ? -39.449 -6.100  -21.660 1.00 15.29 ? 176 GLY B C   1 
ATOM   1453 O O   . GLY A 1 170 ? -39.195 -5.041  -22.219 1.00 14.80 ? 176 GLY B O   1 
ATOM   1454 N N   . PHE A 1 171 ? -40.675 -6.517  -21.383 1.00 16.31 ? 177 PHE B N   1 
ATOM   1455 C CA  . PHE A 1 171 ? -41.879 -5.675  -21.587 1.00 15.58 ? 177 PHE B CA  1 
ATOM   1456 C C   . PHE A 1 171 ? -41.907 -4.603  -20.524 1.00 15.89 ? 177 PHE B C   1 
ATOM   1457 O O   . PHE A 1 171 ? -41.178 -4.679  -19.509 1.00 14.36 ? 177 PHE B O   1 
ATOM   1458 C CB  . PHE A 1 171 ? -43.156 -6.518  -21.645 1.00 16.26 ? 177 PHE B CB  1 
ATOM   1459 C CG  . PHE A 1 171 ? -43.267 -7.399  -22.856 1.00 19.33 ? 177 PHE B CG  1 
ATOM   1460 C CD1 . PHE A 1 171 ? -43.663 -6.879  -24.078 1.00 20.02 ? 177 PHE B CD1 1 
ATOM   1461 C CD2 . PHE A 1 171 ? -42.989 -8.748  -22.768 1.00 19.21 ? 177 PHE B CD2 1 
ATOM   1462 C CE1 . PHE A 1 171 ? -43.776 -7.703  -25.189 1.00 22.25 ? 177 PHE B CE1 1 
ATOM   1463 C CE2 . PHE A 1 171 ? -43.119 -9.565  -23.875 1.00 21.01 ? 177 PHE B CE2 1 
ATOM   1464 C CZ  . PHE A 1 171 ? -43.506 -9.038  -25.080 1.00 19.76 ? 177 PHE B CZ  1 
ATOM   1465 N N   . ASN A 1 172 ? -42.785 -3.642  -20.742 1.00 15.90 ? 178 ASN B N   1 
ATOM   1466 C CA  . ASN A 1 172 ? -42.999 -2.528  -19.784 1.00 16.15 ? 178 ASN B CA  1 
ATOM   1467 C C   . ASN A 1 172 ? -44.522 -2.351  -19.597 1.00 16.62 ? 178 ASN B C   1 
ATOM   1468 O O   . ASN A 1 172 ? -45.043 -1.207  -19.708 1.00 17.11 ? 178 ASN B O   1 
ATOM   1469 C CB  . ASN A 1 172 ? -42.253 -1.281  -20.256 1.00 16.71 ? 178 ASN B CB  1 
ATOM   1470 C CG  . ASN A 1 172 ? -42.348 -0.159  -19.245 1.00 18.05 ? 178 ASN B CG  1 
ATOM   1471 O OD1 . ASN A 1 172 ? -42.440 -0.404  -18.041 1.00 15.86 ? 178 ASN B OD1 1 
ATOM   1472 N ND2 . ASN A 1 172 ? -42.432 1.077   -19.725 1.00 18.73 ? 178 ASN B ND2 1 
ATOM   1473 N N   . TYR A 1 173 ? -45.213 -3.419  -19.238 1.00 18.26 ? 179 TYR B N   1 
ATOM   1474 C CA  . TYR A 1 173 ? -46.644 -3.375  -18.858 1.00 17.81 ? 179 TYR B CA  1 
ATOM   1475 C C   . TYR A 1 173 ? -46.811 -2.546  -17.576 1.00 17.69 ? 179 TYR B C   1 
ATOM   1476 O O   . TYR A 1 173 ? -47.868 -1.896  -17.385 1.00 18.21 ? 179 TYR B O   1 
ATOM   1477 C CB  . TYR A 1 173 ? -47.194 -4.791  -18.649 1.00 18.23 ? 179 TYR B CB  1 
ATOM   1478 C CG  . TYR A 1 173 ? -47.257 -5.630  -19.891 1.00 20.31 ? 179 TYR B CG  1 
ATOM   1479 C CD1 . TYR A 1 173 ? -48.189 -5.369  -20.877 1.00 25.25 ? 179 TYR B CD1 1 
ATOM   1480 C CD2 . TYR A 1 173 ? -46.406 -6.706  -20.051 1.00 23.34 ? 179 TYR B CD2 1 
ATOM   1481 C CE1 . TYR A 1 173 ? -48.230 -6.110  -22.047 1.00 26.00 ? 179 TYR B CE1 1 
ATOM   1482 C CE2 . TYR A 1 173 ? -46.445 -7.463  -21.215 1.00 24.51 ? 179 TYR B CE2 1 
ATOM   1483 C CZ  . TYR A 1 173 ? -47.351 -7.162  -22.209 1.00 25.57 ? 179 TYR B CZ  1 
ATOM   1484 O OH  . TYR A 1 173 ? -47.412 -7.950  -23.330 1.00 29.28 ? 179 TYR B OH  1 
ATOM   1485 N N   . SER A 1 174 ? -45.824 -2.572  -16.674 1.00 15.94 ? 180 SER B N   1 
ATOM   1486 C CA  . SER A 1 174 ? -45.932 -1.983  -15.312 1.00 17.71 ? 180 SER B CA  1 
ATOM   1487 C C   . SER A 1 174 ? -45.664 -0.474  -15.340 1.00 18.75 ? 180 SER B C   1 
ATOM   1488 O O   . SER A 1 174 ? -45.948 0.160   -14.311 1.00 18.73 ? 180 SER B O   1 
ATOM   1489 C CB  . SER A 1 174 ? -44.957 -2.625  -14.324 1.00 17.04 ? 180 SER B CB  1 
ATOM   1490 O OG  . SER A 1 174 ? -43.614 -2.342  -14.713 1.00 17.49 ? 180 SER B OG  1 
ATOM   1491 N N   . GLY A 1 175 ? -45.010 0.050   -16.390 1.00 17.79 ? 181 GLY B N   1 
ATOM   1492 C CA  . GLY A 1 175 ? -44.487 1.433   -16.354 1.00 16.41 ? 181 GLY B CA  1 
ATOM   1493 C C   . GLY A 1 175 ? -43.259 1.588   -15.490 1.00 16.66 ? 181 GLY B C   1 
ATOM   1494 O O   . GLY A 1 175 ? -42.753 2.729   -15.412 1.00 18.69 ? 181 GLY B O   1 
ATOM   1495 N N   . GLY A 1 176 ? -42.721 0.491   -14.919 1.00 16.57 ? 182 GLY B N   1 
ATOM   1496 C CA  . GLY A 1 176 ? -41.492 0.524   -14.110 1.00 16.28 ? 182 GLY B CA  1 
ATOM   1497 C C   . GLY A 1 176 ? -40.266 -0.110  -14.786 1.00 17.64 ? 182 GLY B C   1 
ATOM   1498 O O   . GLY A 1 176 ? -39.199 -0.175  -14.119 1.00 18.18 ? 182 GLY B O   1 
ATOM   1499 N N   . ASN A 1 177 ? -40.380 -0.565  -16.029 1.00 14.80 ? 183 ASN B N   1 
ATOM   1500 C CA  . ASN A 1 177 ? -39.278 -1.256  -16.732 1.00 15.26 ? 183 ASN B CA  1 
ATOM   1501 C C   . ASN A 1 177 ? -38.817 -0.519  -18.004 1.00 15.83 ? 183 ASN B C   1 
ATOM   1502 O O   . ASN A 1 177 ? -38.317 -1.196  -18.939 1.00 15.70 ? 183 ASN B O   1 
ATOM   1503 C CB  . ASN A 1 177 ? -39.661 -2.702  -17.030 1.00 14.99 ? 183 ASN B CB  1 
ATOM   1504 C CG  . ASN A 1 177 ? -38.434 -3.536  -17.354 1.00 14.20 ? 183 ASN B CG  1 
ATOM   1505 O OD1 . ASN A 1 177 ? -37.386 -3.377  -16.723 1.00 15.26 ? 183 ASN B OD1 1 
ATOM   1506 N ND2 . ASN A 1 177 ? -38.595 -4.437  -18.297 1.00 13.98 ? 183 ASN B ND2 1 
ATOM   1507 N N   . ALA A 1 178 ? -38.951 0.809   -18.102 1.00 15.54 ? 184 ALA B N   1 
ATOM   1508 C CA  . ALA A 1 178 ? -38.583 1.525   -19.348 1.00 16.10 ? 184 ALA B CA  1 
ATOM   1509 C C   . ALA A 1 178 ? -37.064 1.645   -19.514 1.00 16.27 ? 184 ALA B C   1 
ATOM   1510 O O   . ALA A 1 178 ? -36.605 1.909   -20.668 1.00 17.64 ? 184 ALA B O   1 
ATOM   1511 C CB  . ALA A 1 178 ? -39.220 2.907   -19.356 1.00 16.90 ? 184 ALA B CB  1 
ATOM   1512 N N   . ALA A 1 179 ? -36.297 1.513   -18.427 1.00 16.91 ? 185 ALA B N   1 
ATOM   1513 C CA  . ALA A 1 179 ? -34.850 1.836   -18.453 1.00 17.08 ? 185 ALA B CA  1 
ATOM   1514 C C   . ALA A 1 179 ? -34.121 0.952   -19.479 1.00 16.60 ? 185 ALA B C   1 
ATOM   1515 O O   . ALA A 1 179 ? -34.487 -0.196  -19.728 1.00 16.20 ? 185 ALA B O   1 
ATOM   1516 C CB  . ALA A 1 179 ? -34.230 1.664   -17.092 1.00 17.92 ? 185 ALA B CB  1 
ATOM   1517 N N   . PRO A 1 180 ? -33.029 1.460   -20.093 1.00 15.14 ? 186 PRO B N   1 
ATOM   1518 C CA  . PRO A 1 180 ? -32.275 0.699   -21.085 1.00 15.43 ? 186 PRO B CA  1 
ATOM   1519 C C   . PRO A 1 180 ? -31.372 -0.407  -20.498 1.00 15.06 ? 186 PRO B C   1 
ATOM   1520 O O   . PRO A 1 180 ? -31.040 -0.366  -19.311 1.00 16.14 ? 186 PRO B O   1 
ATOM   1521 C CB  . PRO A 1 180 ? -31.361 1.773   -21.724 1.00 16.59 ? 186 PRO B CB  1 
ATOM   1522 C CG  . PRO A 1 180 ? -31.186 2.813   -20.667 1.00 17.30 ? 186 PRO B CG  1 
ATOM   1523 C CD  . PRO A 1 180 ? -32.482 2.807   -19.867 1.00 17.80 ? 186 PRO B CD  1 
ATOM   1524 N N   . LEU A 1 181 ? -30.949 -1.353  -21.340 1.00 15.39 ? 187 LEU B N   1 
ATOM   1525 C CA  . LEU A 1 181 ? -29.711 -2.158  -21.151 1.00 15.72 ? 187 LEU B CA  1 
ATOM   1526 C C   . LEU A 1 181 ? -28.566 -1.348  -21.786 1.00 16.63 ? 187 LEU B C   1 
ATOM   1527 O O   . LEU A 1 181 ? -28.753 -0.822  -22.923 1.00 16.43 ? 187 LEU B O   1 
ATOM   1528 C CB  . LEU A 1 181 ? -29.849 -3.528  -21.804 1.00 16.17 ? 187 LEU B CB  1 
ATOM   1529 C CG  . LEU A 1 181 ? -30.916 -4.462  -21.222 1.00 16.47 ? 187 LEU B CG  1 
ATOM   1530 C CD1 . LEU A 1 181 ? -31.060 -5.732  -22.037 1.00 18.53 ? 187 LEU B CD1 1 
ATOM   1531 C CD2 . LEU A 1 181 ? -30.554 -4.825  -19.792 1.00 16.96 ? 187 LEU B CD2 1 
ATOM   1532 N N   . LYS A 1 182 ? -27.417 -1.285  -21.146 1.00 16.62 ? 188 LYS B N   1 
ATOM   1533 C CA  . LYS A 1 182 ? -26.259 -0.530  -21.698 1.00 17.97 ? 188 LYS B CA  1 
ATOM   1534 C C   . LYS A 1 182 ? -25.040 -1.421  -21.680 1.00 18.42 ? 188 LYS B C   1 
ATOM   1535 O O   . LYS A 1 182 ? -24.733 -1.930  -20.592 1.00 17.27 ? 188 LYS B O   1 
ATOM   1536 C CB  . LYS A 1 182 ? -25.956 0.718   -20.885 1.00 20.25 ? 188 LYS B CB  1 
ATOM   1537 C CG  . LYS A 1 182 ? -27.119 1.676   -20.721 1.00 22.72 ? 188 LYS B CG  1 
ATOM   1538 C CD  . LYS A 1 182 ? -26.688 2.958   -20.036 1.00 27.72 ? 188 LYS B CD  1 
ATOM   1539 C CE  . LYS A 1 182 ? -27.861 3.834   -19.661 1.00 31.98 ? 188 LYS B CE  1 
ATOM   1540 N NZ  . LYS A 1 182 ? -27.434 4.933   -18.768 1.00 34.20 ? 188 LYS B NZ  1 
ATOM   1541 N N   . LEU A 1 183 ? -24.307 -1.491  -22.783 1.00 17.73 ? 189 LEU B N   1 
ATOM   1542 C CA  . LEU A 1 183 ? -22.977 -2.159  -22.775 1.00 18.28 ? 189 LEU B CA  1 
ATOM   1543 C C   . LEU A 1 183 ? -21.975 -1.208  -22.123 1.00 21.00 ? 189 LEU B C   1 
ATOM   1544 O O   . LEU A 1 183 ? -21.844 -0.055  -22.610 1.00 22.69 ? 189 LEU B O   1 
ATOM   1545 C CB  . LEU A 1 183 ? -22.625 -2.558  -24.207 1.00 17.77 ? 189 LEU B CB  1 
ATOM   1546 C CG  . LEU A 1 183 ? -23.405 -3.792  -24.668 1.00 18.19 ? 189 LEU B CG  1 
ATOM   1547 C CD1 . LEU A 1 183 ? -23.565 -3.874  -26.165 1.00 22.58 ? 189 LEU B CD1 1 
ATOM   1548 C CD2 . LEU A 1 183 ? -22.729 -5.068  -24.143 1.00 17.45 ? 189 LEU B CD2 1 
ATOM   1549 N N   . CYS A 1 184 ? -21.369 -1.648  -21.013 1.00 22.13 ? 190 CYS B N   1 
ATOM   1550 C CA  . CYS A 1 184 ? -20.453 -0.818  -20.177 1.00 24.47 ? 190 CYS B CA  1 
ATOM   1551 C C   . CYS A 1 184 ? -19.092 -0.714  -20.831 1.00 26.65 ? 190 CYS B C   1 
ATOM   1552 O O   . CYS A 1 184 ? -18.604 -1.666  -21.409 1.00 27.12 ? 190 CYS B O   1 
ATOM   1553 C CB  . CYS A 1 184 ? -20.137 -1.412  -18.818 1.00 27.07 ? 190 CYS B CB  1 
ATOM   1554 S SG  . CYS A 1 184 ? -21.580 -2.004  -17.937 1.00 27.09 ? 190 CYS B SG  1 
ATOM   1555 N N   . PRO A 1 185 ? -18.413 0.432   -20.669 1.00 32.94 ? 191 PRO B N   1 
ATOM   1556 C CA  . PRO A 1 185 ? -17.081 0.607   -21.210 1.00 37.16 ? 191 PRO B CA  1 
ATOM   1557 C C   . PRO A 1 185 ? -16.090 -0.360  -20.559 1.00 36.16 ? 191 PRO B C   1 
ATOM   1558 O O   . PRO A 1 185 ? -16.231 -0.636  -19.364 1.00 40.50 ? 191 PRO B O   1 
ATOM   1559 C CB  . PRO A 1 185 ? -16.742 2.067   -20.874 1.00 38.71 ? 191 PRO B CB  1 
ATOM   1560 C CG  . PRO A 1 185 ? -17.678 2.451   -19.754 1.00 38.11 ? 191 PRO B CG  1 
ATOM   1561 C CD  . PRO A 1 185 ? -18.920 1.628   -19.978 1.00 34.94 ? 191 PRO B CD  1 
ATOM   1562 N N   . LEU A 1 186 ? -15.165 -0.848  -21.383 1.00 41.92 ? 192 LEU B N   1 
ATOM   1563 C CA  . LEU A 1 186 ? -13.859 -1.473  -21.033 1.00 44.73 ? 192 LEU B CA  1 
ATOM   1564 C C   . LEU A 1 186 ? -12.982 -0.448  -20.311 1.00 48.19 ? 192 LEU B C   1 
ATOM   1565 O O   . LEU A 1 186 ? -12.276 -0.847  -19.389 1.00 60.36 ? 192 LEU B O   1 
ATOM   1566 C CB  . LEU A 1 186 ? -13.181 -1.920  -22.332 1.00 41.98 ? 192 LEU B CB  1 
HETATM 1567 C C1  . EDO B 2 .   ? -45.481 -3.440  -22.848 1.00 32.52 ? 201 EDO B C1  1 
HETATM 1568 O O1  . EDO B 2 .   ? -44.151 -3.074  -23.160 1.00 24.14 ? 201 EDO B O1  1 
HETATM 1569 C C2  . EDO B 2 .   ? -46.276 -4.048  -23.945 1.00 38.71 ? 201 EDO B C2  1 
HETATM 1570 O O2  . EDO B 2 .   ? -46.199 -3.340  -25.167 1.00 46.97 ? 201 EDO B O2  1 
HETATM 1571 N N1  . RWS C 3 .   ? -38.194 -12.262 -45.834 0.82 65.10 ? 202 RWS B N1  1 
HETATM 1572 C C4  . RWS C 3 .   ? -41.208 -12.770 -43.142 0.82 64.73 ? 202 RWS B C4  1 
HETATM 1573 C C5  . RWS C 3 .   ? -41.999 -11.582 -42.628 0.82 63.82 ? 202 RWS B C5  1 
HETATM 1574 C C6  . RWS C 3 .   ? -41.204 -10.307 -42.839 0.82 63.78 ? 202 RWS B C6  1 
HETATM 1575 C C7  . RWS C 3 .   ? -40.844 -10.123 -44.303 0.82 64.08 ? 202 RWS B C7  1 
HETATM 1576 C C   . RWS C 3 .   ? -36.905 -10.162 -48.545 0.82 60.41 ? 202 RWS B C   1 
HETATM 1577 C C1  . RWS C 3 .   ? -37.481 -10.696 -47.273 0.82 63.49 ? 202 RWS B C1  1 
HETATM 1578 S S   . RWS C 3 .   ? -38.375 -9.709  -46.167 0.82 63.83 ? 202 RWS B S   1 
HETATM 1579 C C2  . RWS C 3 .   ? -38.963 -11.221 -45.527 0.82 65.76 ? 202 RWS B C2  1 
HETATM 1580 N N   . RWS C 3 .   ? -37.365 -11.927 -46.896 0.82 64.26 ? 202 RWS B N   1 
HETATM 1581 N N2  . RWS C 3 .   ? -40.143 -11.307 -44.822 0.82 66.49 ? 202 RWS B N2  1 
HETATM 1582 C C3  . RWS C 3 .   ? -40.843 -12.583 -44.605 0.82 64.87 ? 202 RWS B C3  1 
HETATM 1583 N N1  . EPE D 4 .   ? -38.715 -15.582 -19.976 1.00 48.45 ? 203 EPE B N1  1 
HETATM 1584 C C2  . EPE D 4 .   ? -38.065 -15.352 -18.677 1.00 43.71 ? 203 EPE B C2  1 
HETATM 1585 C C3  . EPE D 4 .   ? -38.250 -13.929 -18.213 1.00 41.01 ? 203 EPE B C3  1 
HETATM 1586 N N4  . EPE D 4 .   ? -37.722 -12.986 -19.204 1.00 38.20 ? 203 EPE B N4  1 
HETATM 1587 C C5  . EPE D 4 .   ? -38.412 -13.207 -20.484 1.00 41.79 ? 203 EPE B C5  1 
HETATM 1588 C C6  . EPE D 4 .   ? -38.200 -14.620 -20.968 1.00 43.51 ? 203 EPE B C6  1 
HETATM 1589 C C7  . EPE D 4 .   ? -37.872 -11.598 -18.759 1.00 35.92 ? 203 EPE B C7  1 
HETATM 1590 C C8  . EPE D 4 .   ? -37.723 -10.566 -19.872 1.00 34.92 ? 203 EPE B C8  1 
HETATM 1591 O O8  . EPE D 4 .   ? -38.920 -10.365 -20.611 1.00 32.78 ? 203 EPE B O8  1 
HETATM 1592 C C9  . EPE D 4 .   ? -38.517 -16.965 -20.425 1.00 54.51 ? 203 EPE B C9  1 
HETATM 1593 C C10 . EPE D 4 .   ? -39.505 -17.956 -19.817 1.00 58.98 ? 203 EPE B C10 1 
HETATM 1594 S S   . EPE D 4 .   ? -39.286 -19.558 -20.548 1.00 59.29 ? 203 EPE B S   1 
HETATM 1595 O O1S . EPE D 4 .   ? -39.409 -20.517 -19.486 1.00 57.17 ? 203 EPE B O1S 1 
HETATM 1596 O O2S . EPE D 4 .   ? -38.053 -19.470 -21.280 1.00 52.58 ? 203 EPE B O2S 1 
HETATM 1597 O O3S . EPE D 4 .   ? -40.507 -19.657 -21.509 1.00 60.72 ? 203 EPE B O3S 1 
HETATM 1598 C C1  . EDO E 2 .   ? -50.346 -17.232 -32.954 1.00 48.78 ? 204 EDO B C1  1 
HETATM 1599 O O1  . EDO E 2 .   ? -49.069 -16.637 -32.959 1.00 43.53 ? 204 EDO B O1  1 
HETATM 1600 C C2  . EDO E 2 .   ? -51.002 -17.122 -31.647 1.00 46.53 ? 204 EDO B C2  1 
HETATM 1601 O O2  . EDO E 2 .   ? -51.275 -15.779 -31.365 1.00 50.17 ? 204 EDO B O2  1 
HETATM 1602 S S   . SO4 F 5 .   ? -40.407 -24.468 -26.369 1.00 42.73 ? 205 SO4 B S   1 
HETATM 1603 O O1  . SO4 F 5 .   ? -39.688 -23.535 -27.192 1.00 29.42 ? 205 SO4 B O1  1 
HETATM 1604 O O2  . SO4 F 5 .   ? -41.336 -25.205 -27.176 1.00 46.28 ? 205 SO4 B O2  1 
HETATM 1605 O O3  . SO4 F 5 .   ? -39.470 -25.377 -25.742 1.00 45.25 ? 205 SO4 B O3  1 
HETATM 1606 O O4  . SO4 F 5 .   ? -41.135 -23.782 -25.329 1.00 45.96 ? 205 SO4 B O4  1 
HETATM 1607 O O   . HOH G 6 .   ? -38.363 -15.302 -11.345 1.00 40.68 ? 301 HOH B O   1 
HETATM 1608 O O   . HOH G 6 .   ? -13.450 -23.477 -31.616 1.00 19.24 ? 302 HOH B O   1 
HETATM 1609 O O   . HOH G 6 .   ? -26.857 -28.392 -27.881 1.00 27.96 ? 303 HOH B O   1 
HETATM 1610 O O   . HOH G 6 .   ? -40.877 -8.164  -3.373  1.00 48.79 ? 304 HOH B O   1 
HETATM 1611 O O   . HOH G 6 .   ? -46.995 -16.817 -31.771 1.00 26.63 ? 305 HOH B O   1 
HETATM 1612 O O   . HOH G 6 .   ? -45.715 3.687   -34.102 1.00 23.16 ? 306 HOH B O   1 
HETATM 1613 O O   . HOH G 6 .   ? -47.116 1.442   -25.639 1.00 33.42 ? 307 HOH B O   1 
HETATM 1614 O O   . HOH G 6 .   ? -29.438 -12.383 -37.782 1.00 24.22 ? 308 HOH B O   1 
HETATM 1615 O O   . HOH G 6 .   ? -40.007 -1.056  -9.873  1.00 34.44 ? 309 HOH B O   1 
HETATM 1616 O O   . HOH G 6 .   ? -42.153 1.420   -22.699 1.00 36.88 ? 310 HOH B O   1 
HETATM 1617 O O   . HOH G 6 .   ? -44.977 7.412   -24.668 1.00 44.19 ? 311 HOH B O   1 
HETATM 1618 O O   . HOH G 6 .   ? -11.299 -21.017 -25.163 1.00 37.40 ? 312 HOH B O   1 
HETATM 1619 O O   . HOH G 6 .   ? -39.955 -11.428 -22.685 1.00 34.08 ? 313 HOH B O   1 
HETATM 1620 O O   . HOH G 6 .   ? -38.003 2.869   -22.749 1.00 21.58 ? 314 HOH B O   1 
HETATM 1621 O O   . HOH G 6 .   ? -38.546 0.680   -11.787 1.00 40.15 ? 315 HOH B O   1 
HETATM 1622 O O   . HOH G 6 .   ? -24.543 -30.832 -22.026 1.00 42.88 ? 316 HOH B O   1 
HETATM 1623 O O   . HOH G 6 .   ? -44.982 -12.232 -26.547 1.00 38.75 ? 317 HOH B O   1 
HETATM 1624 O O   . HOH G 6 .   ? -15.571 -5.378  -13.561 1.00 36.59 ? 318 HOH B O   1 
HETATM 1625 O O   . HOH G 6 .   ? -26.090 3.558   -35.151 1.00 33.27 ? 319 HOH B O   1 
HETATM 1626 O O   . HOH G 6 .   ? -16.171 -19.551 -15.669 1.00 28.64 ? 320 HOH B O   1 
HETATM 1627 O O   . HOH G 6 .   ? -35.924 -22.434 -19.586 1.00 29.49 ? 321 HOH B O   1 
HETATM 1628 O O   . HOH G 6 .   ? -49.635 -1.675  -19.315 1.00 31.58 ? 322 HOH B O   1 
HETATM 1629 O O   . HOH G 6 .   ? -40.482 -14.285 -8.332  1.00 37.12 ? 323 HOH B O   1 
HETATM 1630 O O   . HOH G 6 .   ? -45.352 0.179   -11.751 1.00 24.75 ? 324 HOH B O   1 
HETATM 1631 O O   . HOH G 6 .   ? -32.735 -18.066 -37.215 1.00 38.89 ? 325 HOH B O   1 
HETATM 1632 O O   . HOH G 6 .   ? -30.772 -20.317 -21.316 1.00 16.61 ? 326 HOH B O   1 
HETATM 1633 O O   . HOH G 6 .   ? -8.919  -13.575 -25.080 1.00 40.40 ? 327 HOH B O   1 
HETATM 1634 O O   . HOH G 6 .   ? -37.112 -25.700 -11.527 1.00 34.88 ? 328 HOH B O   1 
HETATM 1635 O O   . HOH G 6 .   ? -17.582 -21.356 -12.441 1.00 20.98 ? 329 HOH B O   1 
HETATM 1636 O O   . HOH G 6 .   ? -28.992 -25.701 -12.922 1.00 20.99 ? 330 HOH B O   1 
HETATM 1637 O O   . HOH G 6 .   ? -30.726 -6.652  -11.262 1.00 19.33 ? 331 HOH B O   1 
HETATM 1638 O O   . HOH G 6 .   ? -23.870 1.154   -10.612 1.00 40.15 ? 332 HOH B O   1 
HETATM 1639 O O   . HOH G 6 .   ? -30.181 -23.740 -34.029 1.00 28.48 ? 333 HOH B O   1 
HETATM 1640 O O   . HOH G 6 .   ? -13.547 -20.875 -35.314 1.00 41.33 ? 334 HOH B O   1 
HETATM 1641 O O   . HOH G 6 .   ? -30.700 1.224   -16.959 1.00 28.30 ? 335 HOH B O   1 
HETATM 1642 O O   . HOH G 6 .   ? -38.437 -7.540  -10.742 1.00 19.76 ? 336 HOH B O   1 
HETATM 1643 O O   . HOH G 6 .   ? -21.810 -25.001 -12.998 1.00 31.95 ? 337 HOH B O   1 
HETATM 1644 O O   . HOH G 6 .   ? -32.839 1.335   -33.351 1.00 26.94 ? 338 HOH B O   1 
HETATM 1645 O O   . HOH G 6 .   ? -9.484  -20.786 -28.739 1.00 36.49 ? 339 HOH B O   1 
HETATM 1646 O O   . HOH G 6 .   ? -19.478 -29.821 -15.596 1.00 29.02 ? 340 HOH B O   1 
HETATM 1647 O O   . HOH G 6 .   ? -36.486 -22.909 -30.775 1.00 38.03 ? 341 HOH B O   1 
HETATM 1648 O O   . HOH G 6 .   ? -17.475 -27.651 -19.657 1.00 20.81 ? 342 HOH B O   1 
HETATM 1649 O O   . HOH G 6 .   ? -36.699 -25.893 -23.810 1.00 37.05 ? 343 HOH B O   1 
HETATM 1650 O O   . HOH G 6 .   ? -35.610 -16.979 -8.193  1.00 37.36 ? 344 HOH B O   1 
HETATM 1651 O O   . HOH G 6 .   ? -32.253 4.828   -32.912 1.00 36.64 ? 345 HOH B O   1 
HETATM 1652 O O   . HOH G 6 .   ? -19.360 -4.291  -21.954 1.00 19.60 ? 346 HOH B O   1 
HETATM 1653 O O   . HOH G 6 .   ? -17.876 -19.781 -37.513 1.00 31.57 ? 347 HOH B O   1 
HETATM 1654 O O   . HOH G 6 .   ? -26.427 1.834   -10.913 1.00 35.58 ? 348 HOH B O   1 
HETATM 1655 O O   . HOH G 6 .   ? -10.415 -23.514 -21.905 1.00 36.19 ? 349 HOH B O   1 
HETATM 1656 O O   . HOH G 6 .   ? -19.771 1.887   -30.460 1.00 35.74 ? 350 HOH B O   1 
HETATM 1657 O O   . HOH G 6 .   ? -17.680 -4.389  -5.510  1.00 46.77 ? 351 HOH B O   1 
HETATM 1658 O O   . HOH G 6 .   ? -23.234 2.263   -22.974 1.00 31.55 ? 352 HOH B O   1 
HETATM 1659 O O   . HOH G 6 .   ? -42.177 -11.368 -38.775 1.00 28.05 ? 353 HOH B O   1 
HETATM 1660 O O   . HOH G 6 .   ? -38.779 -2.422  -21.335 1.00 17.88 ? 354 HOH B O   1 
HETATM 1661 O O   . HOH G 6 .   ? -43.633 -0.595  -24.192 1.00 37.00 ? 355 HOH B O   1 
HETATM 1662 O O   . HOH G 6 .   ? -26.690 -17.671 -7.777  1.00 21.64 ? 356 HOH B O   1 
HETATM 1663 O O   . HOH G 6 .   ? -38.351 3.789   -42.091 1.00 30.68 ? 357 HOH B O   1 
HETATM 1664 O O   . HOH G 6 .   ? -40.252 -14.306 -31.316 1.00 15.96 ? 358 HOH B O   1 
HETATM 1665 O O   . HOH G 6 .   ? -14.849 -19.721 -37.463 1.00 27.72 ? 359 HOH B O   1 
HETATM 1666 O O   . HOH G 6 .   ? -35.835 -19.121 -30.396 1.00 41.55 ? 360 HOH B O   1 
HETATM 1667 O O   . HOH G 6 .   ? -23.129 4.442   -24.563 1.00 28.50 ? 361 HOH B O   1 
HETATM 1668 O O   . HOH G 6 .   ? -26.524 -25.767 -16.368 1.00 21.17 ? 362 HOH B O   1 
HETATM 1669 O O   . HOH G 6 .   ? -12.882 -21.399 -18.553 1.00 35.63 ? 363 HOH B O   1 
HETATM 1670 O O   . HOH G 6 .   ? -18.426 -4.571  -24.639 1.00 20.03 ? 364 HOH B O   1 
HETATM 1671 O O   . HOH G 6 .   ? -28.372 -21.598 -8.882  1.00 22.11 ? 365 HOH B O   1 
HETATM 1672 O O   . HOH G 6 .   ? -25.820 -14.101 -3.007  1.00 32.51 ? 366 HOH B O   1 
HETATM 1673 O O   . HOH G 6 .   ? -40.967 -9.240  -36.676 1.00 28.58 ? 367 HOH B O   1 
HETATM 1674 O O   . HOH G 6 .   ? -20.925 -16.367 -5.504  1.00 21.75 ? 368 HOH B O   1 
HETATM 1675 O O   . HOH G 6 .   ? -33.912 -21.689 -36.576 1.00 49.68 ? 369 HOH B O   1 
HETATM 1676 O O   . HOH G 6 .   ? -21.112 -5.886  -2.240  1.00 51.50 ? 370 HOH B O   1 
HETATM 1677 O O   . HOH G 6 .   ? -25.233 -10.498 -23.587 1.00 16.84 ? 371 HOH B O   1 
HETATM 1678 O O   . HOH G 6 .   ? -18.267 -17.256 -36.364 1.00 31.08 ? 372 HOH B O   1 
HETATM 1679 O O   . HOH G 6 .   ? -45.522 -14.682 -27.582 1.00 44.66 ? 373 HOH B O   1 
HETATM 1680 O O   . HOH G 6 .   ? -36.487 -0.935  -22.076 1.00 16.29 ? 374 HOH B O   1 
HETATM 1681 O O   . HOH G 6 .   ? -27.138 -20.341 -6.980  1.00 21.22 ? 375 HOH B O   1 
HETATM 1682 O O   . HOH G 6 .   ? -34.149 -21.871 -31.387 1.00 20.50 ? 376 HOH B O   1 
HETATM 1683 O O   . HOH G 6 .   ? -42.418 -5.779  -12.134 1.00 21.89 ? 377 HOH B O   1 
HETATM 1684 O O   . HOH G 6 .   ? -34.680 -8.962  -5.976  1.00 46.24 ? 378 HOH B O   1 
HETATM 1685 O O   . HOH G 6 .   ? -19.192 -29.160 -23.537 1.00 33.21 ? 379 HOH B O   1 
HETATM 1686 O O   . HOH G 6 .   ? -35.473 -4.559  -42.111 1.00 26.85 ? 380 HOH B O   1 
HETATM 1687 O O   . HOH G 6 .   ? -32.151 -4.985  -12.887 1.00 17.22 ? 381 HOH B O   1 
HETATM 1688 O O   . HOH G 6 .   ? -33.955 5.295   -17.440 1.00 33.11 ? 382 HOH B O   1 
HETATM 1689 O O   . HOH G 6 .   ? -45.844 -4.264  -33.829 1.00 23.46 ? 383 HOH B O   1 
HETATM 1690 O O   . HOH G 6 .   ? -14.442 -16.520 -33.071 1.00 30.51 ? 384 HOH B O   1 
HETATM 1691 O O   . HOH G 6 .   ? -23.997 -12.366 -6.542  1.00 22.18 ? 385 HOH B O   1 
HETATM 1692 O O   . HOH G 6 .   ? -42.141 -3.864  -39.416 1.00 26.83 ? 386 HOH B O   1 
HETATM 1693 O O   . HOH G 6 .   ? -25.731 -26.927 -23.902 1.00 21.43 ? 387 HOH B O   1 
HETATM 1694 O O   . HOH G 6 .   ? -16.524 -5.744  -9.281  1.00 39.54 ? 388 HOH B O   1 
HETATM 1695 O O   . HOH G 6 .   ? -36.174 -1.731  -33.841 1.00 23.01 ? 389 HOH B O   1 
HETATM 1696 O O   . HOH G 6 .   ? -36.944 0.902   -15.542 1.00 18.52 ? 390 HOH B O   1 
HETATM 1697 O O   . HOH G 6 .   ? -9.347  -15.950 -26.514 1.00 33.36 ? 391 HOH B O   1 
HETATM 1698 O O   . HOH G 6 .   ? -23.788 -21.041 -38.746 1.00 24.34 ? 392 HOH B O   1 
HETATM 1699 O O   . HOH G 6 .   ? -33.342 -14.835 -6.956  1.00 26.10 ? 393 HOH B O   1 
HETATM 1700 O O   . HOH G 6 .   ? -33.371 -1.718  -38.384 1.00 27.96 ? 394 HOH B O   1 
HETATM 1701 O O   . HOH G 6 .   ? -15.875 -14.614 -8.628  1.00 36.60 ? 395 HOH B O   1 
HETATM 1702 O O   . HOH G 6 .   ? -40.954 -5.851  -38.018 1.00 34.73 ? 396 HOH B O   1 
HETATM 1703 O O   . HOH G 6 .   ? -45.759 -19.461 -31.553 1.00 32.82 ? 397 HOH B O   1 
HETATM 1704 O O   . HOH G 6 .   ? -41.320 5.276   -28.432 1.00 31.50 ? 398 HOH B O   1 
HETATM 1705 O O   . HOH G 6 .   ? -31.564 3.556   -26.691 1.00 25.80 ? 399 HOH B O   1 
HETATM 1706 O O   . HOH G 6 .   ? -40.707 6.359   -33.119 1.00 32.76 ? 400 HOH B O   1 
HETATM 1707 O O   . HOH G 6 .   ? -27.728 -27.601 -25.727 1.00 39.49 ? 401 HOH B O   1 
HETATM 1708 O O   . HOH G 6 .   ? -17.823 -11.053 -35.457 1.00 27.90 ? 402 HOH B O   1 
HETATM 1709 O O   . HOH G 6 .   ? -41.032 -8.804  -19.289 1.00 18.24 ? 403 HOH B O   1 
HETATM 1710 O O   . HOH G 6 .   ? -41.301 -8.364  -13.272 1.00 23.60 ? 404 HOH B O   1 
HETATM 1711 O O   . HOH G 6 .   ? -24.848 -15.040 -6.805  1.00 21.57 ? 405 HOH B O   1 
HETATM 1712 O O   . HOH G 6 .   ? -36.389 0.002   -41.975 1.00 35.92 ? 406 HOH B O   1 
HETATM 1713 O O   . HOH G 6 .   ? -39.863 2.784   -16.084 1.00 20.23 ? 407 HOH B O   1 
HETATM 1714 O O   . HOH G 6 .   ? -43.350 3.752   -18.768 1.00 24.48 ? 408 HOH B O   1 
HETATM 1715 O O   . HOH G 6 .   ? -42.298 -4.892  -43.691 1.00 26.38 ? 409 HOH B O   1 
HETATM 1716 O O   . HOH G 6 .   ? -17.941 -16.073 -6.158  1.00 24.61 ? 410 HOH B O   1 
HETATM 1717 O O   . HOH G 6 .   ? -28.587 8.118   -30.070 1.00 30.96 ? 411 HOH B O   1 
HETATM 1718 O O   . HOH G 6 .   ? -40.246 -7.415  -34.641 1.00 25.88 ? 412 HOH B O   1 
HETATM 1719 O O   . HOH G 6 .   ? -24.795 -11.157 -4.112  1.00 26.28 ? 413 HOH B O   1 
HETATM 1720 O O   . HOH G 6 .   ? -34.214 -7.173  -7.819  1.00 32.34 ? 414 HOH B O   1 
HETATM 1721 O O   . HOH G 6 .   ? -12.544 -18.558 -34.875 1.00 40.34 ? 415 HOH B O   1 
HETATM 1722 O O   . HOH G 6 .   ? -13.003 -6.291  -29.181 1.00 34.56 ? 416 HOH B O   1 
HETATM 1723 O O   . HOH G 6 .   ? -24.192 -4.193  -36.901 1.00 42.63 ? 417 HOH B O   1 
HETATM 1724 O O   . HOH G 6 .   ? -36.583 -6.573  -8.834  1.00 30.95 ? 418 HOH B O   1 
HETATM 1725 O O   . HOH G 6 .   ? -19.801 2.342   -23.866 1.00 39.30 ? 419 HOH B O   1 
HETATM 1726 O O   . HOH G 6 .   ? -24.892 7.221   -28.811 1.00 30.78 ? 420 HOH B O   1 
HETATM 1727 O O   . HOH G 6 .   ? -52.326 -14.357 -28.721 1.00 55.09 ? 421 HOH B O   1 
HETATM 1728 O O   . HOH G 6 .   ? -15.946 -12.152 -5.488  1.00 47.00 ? 422 HOH B O   1 
HETATM 1729 O O   . HOH G 6 .   ? -30.768 -17.369 -42.668 1.00 37.52 ? 423 HOH B O   1 
HETATM 1730 O O   . HOH G 6 .   ? -31.099 4.077   -24.329 1.00 29.32 ? 424 HOH B O   1 
HETATM 1731 O O   . HOH G 6 .   ? -35.614 -2.688  -9.747  1.00 53.71 ? 425 HOH B O   1 
HETATM 1732 O O   . HOH G 6 .   ? -38.821 4.023   -13.811 1.00 32.42 ? 426 HOH B O   1 
HETATM 1733 O O   . HOH G 6 .   ? -15.953 -7.470  -11.203 1.00 35.61 ? 427 HOH B O   1 
HETATM 1734 O O   . HOH G 6 .   ? -47.667 0.000   -32.739 0.50 22.09 ? 428 HOH B O   1 
HETATM 1735 O O   . HOH G 6 .   ? -32.678 -23.510 -33.119 1.00 37.12 ? 429 HOH B O   1 
HETATM 1736 O O   . HOH G 6 .   ? -40.413 5.073   -22.165 1.00 37.78 ? 430 HOH B O   1 
HETATM 1737 O O   . HOH G 6 .   ? -8.462  -22.979 -30.297 1.00 29.77 ? 431 HOH B O   1 
HETATM 1738 O O   . HOH G 6 .   ? -21.542 6.863   -32.292 1.00 31.45 ? 432 HOH B O   1 
HETATM 1739 O O   . HOH G 6 .   ? -26.164 -28.189 -21.495 1.00 40.18 ? 433 HOH B O   1 
HETATM 1740 O O   . HOH G 6 .   ? -45.629 -10.748 -20.905 1.00 50.86 ? 434 HOH B O   1 
HETATM 1741 O O   . HOH G 6 .   ? -22.643 3.408   -20.506 1.00 40.47 ? 435 HOH B O   1 
HETATM 1742 O O   . HOH G 6 .   ? -15.892 -22.384 -14.627 1.00 30.20 ? 436 HOH B O   1 
HETATM 1743 O O   . HOH G 6 .   ? -42.108 -12.895 -22.380 1.00 32.93 ? 437 HOH B O   1 
HETATM 1744 O O   . HOH G 6 .   ? -28.299 -27.763 -16.783 1.00 28.03 ? 438 HOH B O   1 
HETATM 1745 O O   . HOH G 6 .   ? -32.162 6.386   -18.540 0.82 35.19 ? 439 HOH B O   1 
HETATM 1746 O O   . HOH G 6 .   ? -26.255 -31.240 -23.984 1.00 34.14 ? 440 HOH B O   1 
HETATM 1747 O O   . HOH G 6 .   ? -15.914 -27.002 -17.135 1.00 39.70 ? 441 HOH B O   1 
# 
