data_7HO2
# 
_entry.id   7HO2 
# 
_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   7HO2         pdb_00007ho2 10.2210/pdb7ho2/pdb 
WWPDB D_1001407716 ?            ?                   
# 
_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                        7HO2 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-04 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.SG_entry                        ? 
_pdbx_database_status.pdb_format_compatible           Y 
_pdbx_database_status.methods_development_category    ? 
# 
_pdbx_contact_author.id                 1 
_pdbx_contact_author.email              knapp@pharmchem.uni-frankfurt.de 
_pdbx_contact_author.name_first         Stefan 
_pdbx_contact_author.name_last          Knapp 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-5995-6494 
_pdbx_contact_author.name_mi            ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Kim, Y.'                              1 
'Marples, P.'                          2 
'Fearon, D.'                           3 
'von Delft, F.'                        4 
'Knapp, S.'                            5 
'Kraemer, A.'                          6 
'Structural Genomics Consortium (SGC)' 7 
# 
_citation.id                        primary 
_citation.title                     'PanDDA analysis group deposition' 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_volume            ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.year                      ? 
_citation.journal_id_ASTM           ? 
_citation.country                   ? 
_citation.journal_id_ISSN           ? 
_citation.journal_id_CSD            0353 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_DOI      ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.identifier_ORCID 
_citation_author.ordinal 
primary 'Kim, Y.'                              ? 1 
primary 'Marples, P.'                          ? 2 
primary 'Fearon, D.'                           ? 3 
primary 'von Delft, F.'                        ? 4 
primary 'Knapp, S.'                            ? 5 
primary 'Kraemer, A.'                          ? 6 
primary 'Structural Genomics Consortium (SGC)' ? 7 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'E3 ubiquitin-protein ligase TRIM21'                 21596.361 1   2.3.2.27 ? ? ? 
2 non-polymer syn 1,2-ETHANEDIOL                                       62.068    2   ?        ? ? ? 
3 non-polymer syn 'N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide' 242.273   1   ?        ? ? ? 
4 non-polymer syn 'SULFATE ION'                                        96.063    1   ?        ? ? ? 
5 water       nat water                                                18.015    142 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;52 kDa Ro protein,52 kDa ribonucleoprotein autoantigen Ro/SS-A,Ro(SS-A),Sjoegren syndrome type A antigen,SS-A,Tripartite motif-containing protein 21
;
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_strand_id                 B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 1,2-ETHANEDIOL                                       EDO 
3 'N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide' NUM 
4 'SULFATE ION'                                        SO4 
5 water                                                HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   HIS n 
1 3   HIS n 
1 4   HIS n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   MET n 
1 9   VAL n 
1 10  HIS n 
1 11  ILE n 
1 12  THR n 
1 13  LEU n 
1 14  ASP n 
1 15  ARG n 
1 16  ASN n 
1 17  THR n 
1 18  ALA n 
1 19  ASN n 
1 20  SER n 
1 21  TRP n 
1 22  LEU n 
1 23  ILE n 
1 24  ILE n 
1 25  SER n 
1 26  LYS n 
1 27  ASP n 
1 28  ARG n 
1 29  ARG n 
1 30  GLN n 
1 31  VAL n 
1 32  ARG n 
1 33  MET n 
1 34  GLY n 
1 35  ASP n 
1 36  THR n 
1 37  HIS n 
1 38  GLN n 
1 39  ASN n 
1 40  VAL n 
1 41  SER n 
1 42  ASP n 
1 43  ASN n 
1 44  LYS n 
1 45  GLU n 
1 46  ARG n 
1 47  PHE n 
1 48  SER n 
1 49  ASN n 
1 50  TYR n 
1 51  PRO n 
1 52  MET n 
1 53  VAL n 
1 54  LEU n 
1 55  GLY n 
1 56  ALA n 
1 57  GLN n 
1 58  ARG n 
1 59  PHE n 
1 60  SER n 
1 61  SER n 
1 62  GLY n 
1 63  LYS n 
1 64  MET n 
1 65  TYR n 
1 66  TRP n 
1 67  GLU n 
1 68  VAL n 
1 69  ASP n 
1 70  VAL n 
1 71  THR n 
1 72  GLN n 
1 73  LYS n 
1 74  GLU n 
1 75  ALA n 
1 76  TRP n 
1 77  ASP n 
1 78  LEU n 
1 79  GLY n 
1 80  VAL n 
1 81  CYS n 
1 82  ARG n 
1 83  ASP n 
1 84  SER n 
1 85  VAL n 
1 86  GLN n 
1 87  ARG n 
1 88  LYS n 
1 89  GLY n 
1 90  GLN n 
1 91  PHE n 
1 92  SER n 
1 93  LEU n 
1 94  SER n 
1 95  PRO n 
1 96  GLU n 
1 97  ASN n 
1 98  GLY n 
1 99  PHE n 
1 100 TRP n 
1 101 THR n 
1 102 ILE n 
1 103 TRP n 
1 104 LEU n 
1 105 TRP n 
1 106 GLN n 
1 107 ASP n 
1 108 SER n 
1 109 TYR n 
1 110 GLU n 
1 111 ALA n 
1 112 GLY n 
1 113 THR n 
1 114 SER n 
1 115 PRO n 
1 116 GLN n 
1 117 THR n 
1 118 THR n 
1 119 LEU n 
1 120 HIS n 
1 121 ILE n 
1 122 GLN n 
1 123 VAL n 
1 124 PRO n 
1 125 PRO n 
1 126 CYS n 
1 127 GLN n 
1 128 ILE n 
1 129 GLY n 
1 130 ILE n 
1 131 PHE n 
1 132 VAL n 
1 133 ASP n 
1 134 TYR n 
1 135 GLU n 
1 136 ALA n 
1 137 GLY n 
1 138 VAL n 
1 139 VAL n 
1 140 SER n 
1 141 PHE n 
1 142 TYR n 
1 143 ASN n 
1 144 ILE n 
1 145 THR n 
1 146 ASP n 
1 147 HIS n 
1 148 GLY n 
1 149 SER n 
1 150 LEU n 
1 151 ILE n 
1 152 TYR n 
1 153 THR n 
1 154 PHE n 
1 155 SER n 
1 156 GLU n 
1 157 CYS n 
1 158 VAL n 
1 159 PHE n 
1 160 ALA n 
1 161 GLY n 
1 162 PRO n 
1 163 LEU n 
1 164 ARG n 
1 165 PRO n 
1 166 PHE n 
1 167 PHE n 
1 168 ASN n 
1 169 VAL n 
1 170 GLY n 
1 171 PHE n 
1 172 ASN n 
1 173 TYR n 
1 174 SER n 
1 175 GLY n 
1 176 GLY n 
1 177 ASN n 
1 178 ALA n 
1 179 ALA n 
1 180 PRO n 
1 181 LEU n 
1 182 LYS n 
1 183 LEU n 
1 184 CYS n 
1 185 PRO n 
1 186 LEU n 
1 187 LYS n 
1 188 MET n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   188 
_entity_src_gen.gene_src_common_name               'house mouse' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'Trim21, Ro52, Ssa1' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Mus musculus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     10090 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE                                              ?                 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE                                             ?                 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE                                           ?                 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'                                      ?                 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE                                             ?                 'C3 H7 N O2 S'   121.158 
EDO non-polymer         . 1,2-ETHANEDIOL                                       'ETHYLENE GLYCOL' 'C2 H6 O2'       62.068  
GLN 'L-peptide linking' y GLUTAMINE                                            ?                 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'                                      ?                 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE                                              ?                 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE                                            ?                 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER                                                ?                 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE                                           ?                 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE                                              ?                 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE                                               ?                 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE                                           ?                 'C5 H11 N O2 S'  149.211 
NUM non-polymer         . 'N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide' ?                 'C14 H14 N2 O2'  242.273 
PHE 'L-peptide linking' y PHENYLALANINE                                        ?                 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE                                              ?                 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE                                               ?                 'C3 H7 N O3'     105.093 
SO4 non-polymer         . 'SULFATE ION'                                        ?                 'O4 S -2'        96.063  
THR 'L-peptide linking' y THREONINE                                            ?                 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN                                           ?                 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE                                             ?                 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE                                               ?                 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   MET 1   7   ?   ?   ?   B . n 
A 1 2   HIS 2   8   8   HIS HIS B . n 
A 1 3   HIS 3   9   9   HIS HIS B . n 
A 1 4   HIS 4   10  10  HIS HIS B . n 
A 1 5   HIS 5   11  11  HIS HIS B . n 
A 1 6   HIS 6   12  12  HIS HIS B . n 
A 1 7   HIS 7   13  13  HIS HIS B . n 
A 1 8   MET 8   14  14  MET MET B . n 
A 1 9   VAL 9   15  15  VAL VAL B . n 
A 1 10  HIS 10  16  16  HIS HIS B . n 
A 1 11  ILE 11  17  17  ILE ILE B . n 
A 1 12  THR 12  18  18  THR THR B . n 
A 1 13  LEU 13  19  19  LEU LEU B . n 
A 1 14  ASP 14  20  20  ASP ASP B . n 
A 1 15  ARG 15  21  21  ARG ARG B . n 
A 1 16  ASN 16  22  22  ASN ASN B . n 
A 1 17  THR 17  23  23  THR THR B . n 
A 1 18  ALA 18  24  24  ALA ALA B . n 
A 1 19  ASN 19  25  25  ASN ASN B . n 
A 1 20  SER 20  26  26  SER SER B . n 
A 1 21  TRP 21  27  27  TRP TRP B . n 
A 1 22  LEU 22  28  28  LEU LEU B . n 
A 1 23  ILE 23  29  29  ILE ILE B . n 
A 1 24  ILE 24  30  30  ILE ILE B . n 
A 1 25  SER 25  31  31  SER SER B . n 
A 1 26  LYS 26  32  32  LYS LYS B . n 
A 1 27  ASP 27  33  33  ASP ASP B . n 
A 1 28  ARG 28  34  34  ARG ARG B . n 
A 1 29  ARG 29  35  35  ARG ARG B . n 
A 1 30  GLN 30  36  36  GLN GLN B . n 
A 1 31  VAL 31  37  37  VAL VAL B . n 
A 1 32  ARG 32  38  38  ARG ARG B . n 
A 1 33  MET 33  39  39  MET MET B . n 
A 1 34  GLY 34  40  40  GLY GLY B . n 
A 1 35  ASP 35  41  41  ASP ASP B . n 
A 1 36  THR 36  42  42  THR THR B . n 
A 1 37  HIS 37  43  43  HIS HIS B . n 
A 1 38  GLN 38  44  44  GLN GLN B . n 
A 1 39  ASN 39  45  45  ASN ASN B . n 
A 1 40  VAL 40  46  46  VAL VAL B . n 
A 1 41  SER 41  47  47  SER SER B . n 
A 1 42  ASP 42  48  48  ASP ASP B . n 
A 1 43  ASN 43  49  49  ASN ASN B . n 
A 1 44  LYS 44  50  50  LYS LYS B . n 
A 1 45  GLU 45  51  51  GLU GLU B . n 
A 1 46  ARG 46  52  52  ARG ARG B . n 
A 1 47  PHE 47  53  53  PHE PHE B . n 
A 1 48  SER 48  54  54  SER SER B . n 
A 1 49  ASN 49  55  55  ASN ASN B . n 
A 1 50  TYR 50  56  56  TYR TYR B . n 
A 1 51  PRO 51  57  57  PRO PRO B . n 
A 1 52  MET 52  58  58  MET MET B . n 
A 1 53  VAL 53  59  59  VAL VAL B . n 
A 1 54  LEU 54  60  60  LEU LEU B . n 
A 1 55  GLY 55  61  61  GLY GLY B . n 
A 1 56  ALA 56  62  62  ALA ALA B . n 
A 1 57  GLN 57  63  63  GLN GLN B . n 
A 1 58  ARG 58  64  64  ARG ARG B . n 
A 1 59  PHE 59  65  65  PHE PHE B . n 
A 1 60  SER 60  66  66  SER SER B . n 
A 1 61  SER 61  67  67  SER SER B . n 
A 1 62  GLY 62  68  68  GLY GLY B . n 
A 1 63  LYS 63  69  69  LYS LYS B . n 
A 1 64  MET 64  70  70  MET MET B . n 
A 1 65  TYR 65  71  71  TYR TYR B . n 
A 1 66  TRP 66  72  72  TRP TRP B . n 
A 1 67  GLU 67  73  73  GLU GLU B . n 
A 1 68  VAL 68  74  74  VAL VAL B . n 
A 1 69  ASP 69  75  75  ASP ASP B . n 
A 1 70  VAL 70  76  76  VAL VAL B . n 
A 1 71  THR 71  77  77  THR THR B . n 
A 1 72  GLN 72  78  78  GLN GLN B . n 
A 1 73  LYS 73  79  79  LYS LYS B . n 
A 1 74  GLU 74  80  80  GLU GLU B . n 
A 1 75  ALA 75  81  81  ALA ALA B . n 
A 1 76  TRP 76  82  82  TRP TRP B . n 
A 1 77  ASP 77  83  83  ASP ASP B . n 
A 1 78  LEU 78  84  84  LEU LEU B . n 
A 1 79  GLY 79  85  85  GLY GLY B . n 
A 1 80  VAL 80  86  86  VAL VAL B . n 
A 1 81  CYS 81  87  87  CYS CYS B . n 
A 1 82  ARG 82  88  88  ARG ARG B . n 
A 1 83  ASP 83  89  89  ASP ASP B . n 
A 1 84  SER 84  90  90  SER SER B . n 
A 1 85  VAL 85  91  91  VAL VAL B . n 
A 1 86  GLN 86  92  92  GLN GLN B . n 
A 1 87  ARG 87  93  93  ARG ARG B . n 
A 1 88  LYS 88  94  94  LYS LYS B . n 
A 1 89  GLY 89  95  95  GLY GLY B . n 
A 1 90  GLN 90  96  96  GLN GLN B . n 
A 1 91  PHE 91  97  97  PHE PHE B . n 
A 1 92  SER 92  98  98  SER SER B . n 
A 1 93  LEU 93  99  99  LEU LEU B . n 
A 1 94  SER 94  100 100 SER SER B . n 
A 1 95  PRO 95  101 101 PRO PRO B . n 
A 1 96  GLU 96  102 102 GLU GLU B . n 
A 1 97  ASN 97  103 103 ASN ASN B . n 
A 1 98  GLY 98  104 104 GLY GLY B . n 
A 1 99  PHE 99  105 105 PHE PHE B . n 
A 1 100 TRP 100 106 106 TRP TRP B . n 
A 1 101 THR 101 107 107 THR THR B . n 
A 1 102 ILE 102 108 108 ILE ILE B . n 
A 1 103 TRP 103 109 109 TRP TRP B . n 
A 1 104 LEU 104 110 110 LEU LEU B . n 
A 1 105 TRP 105 111 111 TRP TRP B . n 
A 1 106 GLN 106 112 112 GLN GLN B . n 
A 1 107 ASP 107 113 113 ASP ASP B . n 
A 1 108 SER 108 114 114 SER SER B . n 
A 1 109 TYR 109 115 115 TYR TYR B . n 
A 1 110 GLU 110 116 116 GLU GLU B . n 
A 1 111 ALA 111 117 117 ALA ALA B . n 
A 1 112 GLY 112 118 118 GLY GLY B . n 
A 1 113 THR 113 119 119 THR THR B . n 
A 1 114 SER 114 120 120 SER SER B . n 
A 1 115 PRO 115 121 121 PRO PRO B . n 
A 1 116 GLN 116 122 122 GLN GLN B . n 
A 1 117 THR 117 123 123 THR THR B . n 
A 1 118 THR 118 124 124 THR THR B . n 
A 1 119 LEU 119 125 125 LEU LEU B . n 
A 1 120 HIS 120 126 126 HIS HIS B . n 
A 1 121 ILE 121 127 127 ILE ILE B . n 
A 1 122 GLN 122 128 128 GLN GLN B . n 
A 1 123 VAL 123 129 129 VAL VAL B . n 
A 1 124 PRO 124 130 130 PRO PRO B . n 
A 1 125 PRO 125 131 131 PRO PRO B . n 
A 1 126 CYS 126 132 132 CYS CYS B . n 
A 1 127 GLN 127 133 133 GLN GLN B . n 
A 1 128 ILE 128 134 134 ILE ILE B . n 
A 1 129 GLY 129 135 135 GLY GLY B . n 
A 1 130 ILE 130 136 136 ILE ILE B . n 
A 1 131 PHE 131 137 137 PHE PHE B . n 
A 1 132 VAL 132 138 138 VAL VAL B . n 
A 1 133 ASP 133 139 139 ASP ASP B . n 
A 1 134 TYR 134 140 140 TYR TYR B . n 
A 1 135 GLU 135 141 141 GLU GLU B . n 
A 1 136 ALA 136 142 142 ALA ALA B . n 
A 1 137 GLY 137 143 143 GLY GLY B . n 
A 1 138 VAL 138 144 144 VAL VAL B . n 
A 1 139 VAL 139 145 145 VAL VAL B . n 
A 1 140 SER 140 146 146 SER SER B . n 
A 1 141 PHE 141 147 147 PHE PHE B . n 
A 1 142 TYR 142 148 148 TYR TYR B . n 
A 1 143 ASN 143 149 149 ASN ASN B . n 
A 1 144 ILE 144 150 150 ILE ILE B . n 
A 1 145 THR 145 151 151 THR THR B . n 
A 1 146 ASP 146 152 152 ASP ASP B . n 
A 1 147 HIS 147 153 153 HIS HIS B . n 
A 1 148 GLY 148 154 154 GLY GLY B . n 
A 1 149 SER 149 155 155 SER SER B . n 
A 1 150 LEU 150 156 156 LEU LEU B . n 
A 1 151 ILE 151 157 157 ILE ILE B . n 
A 1 152 TYR 152 158 158 TYR TYR B . n 
A 1 153 THR 153 159 159 THR THR B . n 
A 1 154 PHE 154 160 160 PHE PHE B . n 
A 1 155 SER 155 161 161 SER SER B . n 
A 1 156 GLU 156 162 162 GLU GLU B . n 
A 1 157 CYS 157 163 163 CYS CYS B . n 
A 1 158 VAL 158 164 164 VAL VAL B . n 
A 1 159 PHE 159 165 165 PHE PHE B . n 
A 1 160 ALA 160 166 166 ALA ALA B . n 
A 1 161 GLY 161 167 167 GLY GLY B . n 
A 1 162 PRO 162 168 168 PRO PRO B . n 
A 1 163 LEU 163 169 169 LEU LEU B . n 
A 1 164 ARG 164 170 170 ARG ARG B . n 
A 1 165 PRO 165 171 171 PRO PRO B . n 
A 1 166 PHE 166 172 172 PHE PHE B . n 
A 1 167 PHE 167 173 173 PHE PHE B . n 
A 1 168 ASN 168 174 174 ASN ASN B . n 
A 1 169 VAL 169 175 175 VAL VAL B . n 
A 1 170 GLY 170 176 176 GLY GLY B . n 
A 1 171 PHE 171 177 177 PHE PHE B . n 
A 1 172 ASN 172 178 178 ASN ASN B . n 
A 1 173 TYR 173 179 179 TYR TYR B . n 
A 1 174 SER 174 180 180 SER SER B . n 
A 1 175 GLY 175 181 181 GLY GLY B . n 
A 1 176 GLY 176 182 182 GLY GLY B . n 
A 1 177 ASN 177 183 183 ASN ASN B . n 
A 1 178 ALA 178 184 184 ALA ALA B . n 
A 1 179 ALA 179 185 185 ALA ALA B . n 
A 1 180 PRO 180 186 186 PRO PRO B . n 
A 1 181 LEU 181 187 187 LEU LEU B . n 
A 1 182 LYS 182 188 188 LYS LYS B . n 
A 1 183 LEU 183 189 189 LEU LEU B . n 
A 1 184 CYS 184 190 190 CYS CYS B . n 
A 1 185 PRO 185 191 191 PRO PRO B . n 
A 1 186 LEU 186 192 192 LEU LEU B . n 
A 1 187 LYS 187 193 ?   ?   ?   B . n 
A 1 188 MET 188 194 ?   ?   ?   B . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        NUM 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   NUM 
_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 NUM 1   202 302 NUM LIG B . 
D 2 EDO 1   203 305 EDO EDO B . 
E 4 SO4 1   204 1   SO4 SO4 B . 
F 5 HOH 1   301 11  HOH HOH B . 
F 5 HOH 2   302 12  HOH HOH B . 
F 5 HOH 3   303 29  HOH HOH B . 
F 5 HOH 4   304 26  HOH HOH B . 
F 5 HOH 5   305 33  HOH HOH B . 
F 5 HOH 6   306 2   HOH HOH B . 
F 5 HOH 7   307 99  HOH HOH B . 
F 5 HOH 8   308 21  HOH HOH B . 
F 5 HOH 9   309 27  HOH HOH B . 
F 5 HOH 10  310 1   HOH HOH B . 
F 5 HOH 11  311 40  HOH HOH B . 
F 5 HOH 12  312 34  HOH HOH B . 
F 5 HOH 13  313 4   HOH HOH B . 
F 5 HOH 14  314 129 HOH HOH B . 
F 5 HOH 15  315 25  HOH HOH B . 
F 5 HOH 16  316 16  HOH HOH B . 
F 5 HOH 17  317 102 HOH HOH B . 
F 5 HOH 18  318 63  HOH HOH B . 
F 5 HOH 19  319 281 HOH HOH B . 
F 5 HOH 20  320 90  HOH HOH B . 
F 5 HOH 21  321 10  HOH HOH B . 
F 5 HOH 22  322 95  HOH HOH B . 
F 5 HOH 23  323 11  HOH HOH B . 
F 5 HOH 24  324 89  HOH HOH B . 
F 5 HOH 25  325 72  HOH HOH B . 
F 5 HOH 26  326 5   HOH HOH B . 
F 5 HOH 27  327 80  HOH HOH B . 
F 5 HOH 28  328 267 HOH HOH B . 
F 5 HOH 29  329 126 HOH HOH B . 
F 5 HOH 30  330 28  HOH HOH B . 
F 5 HOH 31  331 70  HOH HOH B . 
F 5 HOH 32  332 86  HOH HOH B . 
F 5 HOH 33  333 18  HOH HOH B . 
F 5 HOH 34  334 39  HOH HOH B . 
F 5 HOH 35  335 16  HOH HOH B . 
F 5 HOH 36  336 100 HOH HOH B . 
F 5 HOH 37  337 55  HOH HOH B . 
F 5 HOH 38  338 51  HOH HOH B . 
F 5 HOH 39  339 137 HOH HOH B . 
F 5 HOH 40  340 166 HOH HOH B . 
F 5 HOH 41  341 68  HOH HOH B . 
F 5 HOH 42  342 36  HOH HOH B . 
F 5 HOH 43  343 31  HOH HOH B . 
F 5 HOH 44  344 20  HOH HOH B . 
F 5 HOH 45  345 2   HOH HOH B . 
F 5 HOH 46  346 7   HOH HOH B . 
F 5 HOH 47  347 157 HOH HOH B . 
F 5 HOH 48  348 22  HOH HOH B . 
F 5 HOH 49  349 62  HOH HOH B . 
F 5 HOH 50  350 15  HOH HOH B . 
F 5 HOH 51  351 26  HOH HOH B . 
F 5 HOH 52  352 50  HOH HOH B . 
F 5 HOH 53  353 66  HOH HOH B . 
F 5 HOH 54  354 58  HOH HOH B . 
F 5 HOH 55  355 27  HOH HOH B . 
F 5 HOH 56  356 30  HOH HOH B . 
F 5 HOH 57  357 3   HOH HOH B . 
F 5 HOH 58  358 1   HOH HOH B . 
F 5 HOH 59  359 211 HOH HOH B . 
F 5 HOH 60  360 81  HOH HOH B . 
F 5 HOH 61  361 10  HOH HOH B . 
F 5 HOH 62  362 85  HOH HOH B . 
F 5 HOH 63  363 29  HOH HOH B . 
F 5 HOH 64  364 6   HOH HOH B . 
F 5 HOH 65  365 3   HOH HOH B . 
F 5 HOH 66  366 19  HOH HOH B . 
F 5 HOH 67  367 17  HOH HOH B . 
F 5 HOH 68  368 47  HOH HOH B . 
F 5 HOH 69  369 61  HOH HOH B . 
F 5 HOH 70  370 93  HOH HOH B . 
F 5 HOH 71  371 8   HOH HOH B . 
F 5 HOH 72  372 184 HOH HOH B . 
F 5 HOH 73  373 304 HOH HOH B . 
F 5 HOH 74  374 71  HOH HOH B . 
F 5 HOH 75  375 4   HOH HOH B . 
F 5 HOH 76  376 264 HOH HOH B . 
F 5 HOH 77  377 25  HOH HOH B . 
F 5 HOH 78  378 59  HOH HOH B . 
F 5 HOH 79  379 214 HOH HOH B . 
F 5 HOH 80  380 73  HOH HOH B . 
F 5 HOH 81  381 43  HOH HOH B . 
F 5 HOH 82  382 125 HOH HOH B . 
F 5 HOH 83  383 76  HOH HOH B . 
F 5 HOH 84  384 24  HOH HOH B . 
F 5 HOH 85  385 14  HOH HOH B . 
F 5 HOH 86  386 46  HOH HOH B . 
F 5 HOH 87  387 116 HOH HOH B . 
F 5 HOH 88  388 172 HOH HOH B . 
F 5 HOH 89  389 45  HOH HOH B . 
F 5 HOH 90  390 156 HOH HOH B . 
F 5 HOH 91  391 32  HOH HOH B . 
F 5 HOH 92  392 303 HOH HOH B . 
F 5 HOH 93  393 60  HOH HOH B . 
F 5 HOH 94  394 48  HOH HOH B . 
F 5 HOH 95  395 64  HOH HOH B . 
F 5 HOH 96  396 23  HOH HOH B . 
F 5 HOH 97  397 13  HOH HOH B . 
F 5 HOH 98  398 32  HOH HOH B . 
F 5 HOH 99  399 97  HOH HOH B . 
F 5 HOH 100 400 56  HOH HOH B . 
F 5 HOH 101 401 49  HOH HOH B . 
F 5 HOH 102 402 8   HOH HOH B . 
F 5 HOH 103 403 12  HOH HOH B . 
F 5 HOH 104 404 18  HOH HOH B . 
F 5 HOH 105 405 57  HOH HOH B . 
F 5 HOH 106 406 54  HOH HOH B . 
F 5 HOH 107 407 154 HOH HOH B . 
F 5 HOH 108 408 33  HOH HOH B . 
F 5 HOH 109 409 7   HOH HOH B . 
F 5 HOH 110 410 20  HOH HOH B . 
F 5 HOH 111 411 42  HOH HOH B . 
F 5 HOH 112 412 22  HOH HOH B . 
F 5 HOH 113 413 120 HOH HOH B . 
F 5 HOH 114 414 15  HOH HOH B . 
F 5 HOH 115 415 140 HOH HOH B . 
F 5 HOH 116 416 41  HOH HOH B . 
F 5 HOH 117 417 197 HOH HOH B . 
F 5 HOH 118 418 38  HOH HOH B . 
F 5 HOH 119 419 44  HOH HOH B . 
F 5 HOH 120 420 5   HOH HOH B . 
F 5 HOH 121 421 69  HOH HOH B . 
F 5 HOH 122 422 257 HOH HOH B . 
F 5 HOH 123 423 53  HOH HOH B . 
F 5 HOH 124 424 103 HOH HOH B . 
F 5 HOH 125 425 19  HOH HOH B . 
F 5 HOH 126 426 263 HOH HOH B . 
F 5 HOH 127 427 112 HOH HOH B . 
F 5 HOH 128 428 30  HOH HOH B . 
F 5 HOH 129 429 115 HOH HOH B . 
F 5 HOH 130 430 114 HOH HOH B . 
F 5 HOH 131 431 266 HOH HOH B . 
F 5 HOH 132 432 133 HOH HOH B . 
F 5 HOH 133 433 23  HOH HOH B . 
F 5 HOH 134 434 21  HOH HOH B . 
F 5 HOH 135 435 13  HOH HOH B . 
F 5 HOH 136 436 104 HOH HOH B . 
F 5 HOH 137 437 127 HOH HOH B . 
F 5 HOH 138 438 205 HOH HOH B . 
F 5 HOH 139 439 14  HOH HOH B . 
F 5 HOH 140 440 131 HOH HOH B . 
F 5 HOH 141 441 270 HOH HOH B . 
F 5 HOH 142 442 259 HOH HOH B . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 B LEU 192 ? CG  ? A LEU 186 CG  
2 1 Y 1 B LEU 192 ? CD1 ? A LEU 186 CD1 
3 1 Y 1 B LEU 192 ? CD2 ? A LEU 186 CD2 
# 
loop_
_software.pdbx_ordinal 
_software.name 
_software.version 
_software.date 
_software.type 
_software.contact_author 
_software.contact_author_email 
_software.classification 
_software.location 
_software.language 
_software.citation_id 
1 REFMAC      5.8.0267 ?               program 'Garib N. Murshudov' garib@ysbl.york.ac.uk    refinement        
http://www.ccp4.ac.uk/dist/html/refmac5.html        Fortran_77 ? 
2 Aimless     0.7.7    23/04/21        program 'Phil Evans'         ?                        'data scaling'    
http://www.mrc-lmb.cam.ac.uk/harry/pre/aimless.html ?          ? 
3 PDB_EXTRACT 3.23     'SEP. 23, 2016' package PDB                  deposit@deposit.rcsb.org 'data extraction' 
http://sw-tools.pdb.org/apps/PDB_EXTRACT/           C++        ? 
4 XDS         .        ?               program ?                    ?                        'data reduction'  ? ?          ? 
5 REFMAC      .        ?               program ?                    ?                        phasing           ? ?          ? 
# 
_cell.entry_id           7HO2 
_cell.length_a           95.362 
_cell.length_b           95.362 
_cell.length_c           45.766 
_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                         7HO2 
_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          7HO2 
_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   48.94 
_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                     7HO2 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             67.420 
_reflns.d_resolution_high            1.150 
_reflns.number_obs                   60406 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         83.000 
_reflns.pdbx_Rmerge_I_obs            0.054 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        20.700 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              9.700 
_reflns.pdbx_Rrim_I_all              0.057 
_reflns.pdbx_Rpim_I_all              0.016 
_reflns.pdbx_CC_half                 0.999 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     587535 
_reflns.pdbx_scaling_rejects         0 
_reflns.pdbx_chi_squared             ? 
_reflns.Rmerge_F_all                 ? 
_reflns.Rmerge_F_obs                 ? 
_reflns.observed_criterion_F_max     ? 
_reflns.observed_criterion_F_min     ? 
_reflns.observed_criterion_I_max     ? 
_reflns.observed_criterion_I_min     ? 
_reflns.pdbx_d_res_high_opt          ? 
_reflns.pdbx_d_res_low_opt           ? 
_reflns.details                      ? 
# 
loop_
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_ordinal 
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.number_measured_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_unique_obs 
_reflns_shell.pdbx_rejects 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_redundancy 
_reflns_shell.percent_possible_obs 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.Rmerge_I_all 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.percent_possible_all 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_CC_half 
1 1 1.150 1.170  ? 445  428 ? 0.717 ? ? ? 1.000  ? 0.500   ? ? ? ? ? ? 12.100 1.014 0.717 0.059 
1 2 6.300 67.420 ? 6089 478 ? 0.046 ? ? ? 12.700 ? 101.300 ? ? ? ? ? ? 99.900 0.048 0.014 0.992 
# 
_refine.entry_id                                 7HO2 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.1500 
_refine.ls_d_res_low                             67.4300 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    82.7600 
_refine.ls_number_reflns_obs                     57456 
_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                          0.1784 
_refine.ls_R_factor_R_work                       0.1777 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.1924 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.8000 
_refine.ls_number_reflns_R_free                  2921 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               14.6170 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.0300 
_refine.aniso_B[2][2]                            0.0300 
_refine.aniso_B[3][3]                            -0.0500 
_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          0.9660 
_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                       0.0440 
_refine.pdbx_overall_ESU_R_Free                  0.0440 
_refine.overall_SU_ML                            0.0330 
_refine.overall_SU_B                             0.7600 
_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                                62.630 
_refine.B_iso_min                                7.490 
_refine.pdbx_overall_phase_error                 ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.pdbx_diffrn_id                           1 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.ls_R_factor_R_free_error_details         ? 
# 
_refine_hist.cycle_id                         final 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.d_res_high                       1.1500 
_refine_hist.d_res_low                        67.4300 
_refine_hist.pdbx_number_atoms_ligand         49 
_refine_hist.number_atoms_solvent             142 
_refine_hist.number_atoms_total               1684 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           31.02 
_refine_hist.pdbx_B_iso_mean_solvent          24.84 
_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       2033 0.012  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1630 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2559 1.849  1.636  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3762 1.429  1.579  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 241  7.225  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 112  29.398 21.250 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 291  11.691 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   22.988 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         220  0.087  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2304 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     516  0.003  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            973  1.232  1.283  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         965  1.208  1.263  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1153 1.946  1.904  ? ? 
# 
_refine_ls_shell.d_res_high                       1.1500 
_refine_ls_shell.d_res_low                        1.1800 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               15.0800 
_refine_ls_shell.number_reflns_R_work             760 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3580 
_refine_ls_shell.R_factor_R_free                  0.3280 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             45 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                805 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HO2 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z730649594' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HO2 
_struct_keywords.text            'SGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, TRIM21, LIGASE' 
_struct_keywords.pdbx_keywords   LIGASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 2 ? 
E N N 4 ? 
F N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    RO52_MOUSE 
_struct_ref.pdbx_db_accession          Q62191 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;VHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGVCRDSVQRK
GQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFAGPLRPFFN
VGFNYSGGNAAPLKLCPLKM
;
_struct_ref.pdbx_align_begin           291 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              7HO2 
_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 7HO2 MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HO2 HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HO2 HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HO2 HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HO2 HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HO2 HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HO2 HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HO2 MET B 8 ? UNP Q62191 ? ? 'expression tag'        14 8 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 4  ? MET A 8  ? HIS B 10  MET B 14  5 ? 5 
HELX_P HELX_P2 AA2 ASP A 14 ? ALA A 18 ? ASP B 20  ALA B 24  5 ? 5 
HELX_P HELX_P3 AA3 SER A 94 ? ASN A 97 ? SER B 100 ASN B 103 5 ? 4 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           114 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            120 
_struct_mon_prot_cis.auth_asym_id           B 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    115 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     121 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    B 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -2.50 
# 
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                   7HO2 
_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_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    OD1 
_pdbx_validate_symm_contact.auth_asym_id_1    B 
_pdbx_validate_symm_contact.auth_comp_id_1    ASN 
_pdbx_validate_symm_contact.auth_seq_id_1     55 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    OE1 
_pdbx_validate_symm_contact.auth_asym_id_2    B 
_pdbx_validate_symm_contact.auth_comp_id_2    GLN 
_pdbx_validate_symm_contact.auth_seq_id_2     78 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   8_444 
_pdbx_validate_symm_contact.dist              1.55 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             CG 
_pdbx_validate_rmsd_angle.auth_asym_id_1             B 
_pdbx_validate_rmsd_angle.auth_comp_id_1             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_1              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CD 
_pdbx_validate_rmsd_angle.auth_asym_id_2             B 
_pdbx_validate_rmsd_angle.auth_comp_id_2             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_2              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             NE 
_pdbx_validate_rmsd_angle.auth_asym_id_3             B 
_pdbx_validate_rmsd_angle.auth_comp_id_3             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_3              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                127.65 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            15.85 
_pdbx_validate_rmsd_angle.angle_standard_deviation   2.10 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASN B 45  ? ? 72.11   35.34 
2 1 ASP B 152 ? ? -103.82 51.45 
# 
_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     430 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   F 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
_phasing.method   MR 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 B MET 7   ? A MET 1   
2 1 Y 1 B LYS 193 ? A LYS 187 
3 1 Y 1 B MET 194 ? A MET 188 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
EDO C1   C N N 88  
EDO O1   O N N 89  
EDO C2   C N N 90  
EDO O2   O N N 91  
EDO H11  H N N 92  
EDO H12  H N N 93  
EDO HO1  H N N 94  
EDO H21  H N N 95  
EDO H22  H N N 96  
EDO HO2  H N N 97  
GLN N    N N N 98  
GLN CA   C N S 99  
GLN C    C N N 100 
GLN O    O N N 101 
GLN CB   C N N 102 
GLN CG   C N N 103 
GLN CD   C N N 104 
GLN OE1  O N N 105 
GLN NE2  N N N 106 
GLN OXT  O N N 107 
GLN H    H N N 108 
GLN H2   H N N 109 
GLN HA   H N N 110 
GLN HB2  H N N 111 
GLN HB3  H N N 112 
GLN HG2  H N N 113 
GLN HG3  H N N 114 
GLN HE21 H N N 115 
GLN HE22 H N N 116 
GLN HXT  H N N 117 
GLU N    N N N 118 
GLU CA   C N S 119 
GLU C    C N N 120 
GLU O    O N N 121 
GLU CB   C N N 122 
GLU CG   C N N 123 
GLU CD   C N N 124 
GLU OE1  O N N 125 
GLU OE2  O N N 126 
GLU OXT  O N N 127 
GLU H    H N N 128 
GLU H2   H N N 129 
GLU HA   H N N 130 
GLU HB2  H N N 131 
GLU HB3  H N N 132 
GLU HG2  H N N 133 
GLU HG3  H N N 134 
GLU HE2  H N N 135 
GLU HXT  H N N 136 
GLY N    N N N 137 
GLY CA   C N N 138 
GLY C    C N N 139 
GLY O    O N N 140 
GLY OXT  O N N 141 
GLY H    H N N 142 
GLY H2   H N N 143 
GLY HA2  H N N 144 
GLY HA3  H N N 145 
GLY HXT  H N N 146 
HIS N    N N N 147 
HIS CA   C N S 148 
HIS C    C N N 149 
HIS O    O N N 150 
HIS CB   C N N 151 
HIS CG   C Y N 152 
HIS ND1  N Y N 153 
HIS CD2  C Y N 154 
HIS CE1  C Y N 155 
HIS NE2  N Y N 156 
HIS OXT  O N N 157 
HIS H    H N N 158 
HIS H2   H N N 159 
HIS HA   H N N 160 
HIS HB2  H N N 161 
HIS HB3  H N N 162 
HIS HD1  H N N 163 
HIS HD2  H N N 164 
HIS HE1  H N N 165 
HIS HE2  H N N 166 
HIS HXT  H N N 167 
HOH O    O N N 168 
HOH H1   H N N 169 
HOH H2   H N N 170 
ILE N    N N N 171 
ILE CA   C N S 172 
ILE C    C N N 173 
ILE O    O N N 174 
ILE CB   C N S 175 
ILE CG1  C N N 176 
ILE CG2  C N N 177 
ILE CD1  C N N 178 
ILE OXT  O N N 179 
ILE H    H N N 180 
ILE H2   H N N 181 
ILE HA   H N N 182 
ILE HB   H N N 183 
ILE HG12 H N N 184 
ILE HG13 H N N 185 
ILE HG21 H N N 186 
ILE HG22 H N N 187 
ILE HG23 H N N 188 
ILE HD11 H N N 189 
ILE HD12 H N N 190 
ILE HD13 H N N 191 
ILE HXT  H N N 192 
LEU N    N N N 193 
LEU CA   C N S 194 
LEU C    C N N 195 
LEU O    O N N 196 
LEU CB   C N N 197 
LEU CG   C N N 198 
LEU CD1  C N N 199 
LEU CD2  C N N 200 
LEU OXT  O N N 201 
LEU H    H N N 202 
LEU H2   H N N 203 
LEU HA   H N N 204 
LEU HB2  H N N 205 
LEU HB3  H N N 206 
LEU HG   H N N 207 
LEU HD11 H N N 208 
LEU HD12 H N N 209 
LEU HD13 H N N 210 
LEU HD21 H N N 211 
LEU HD22 H N N 212 
LEU HD23 H N N 213 
LEU HXT  H N N 214 
LYS N    N N N 215 
LYS CA   C N S 216 
LYS C    C N N 217 
LYS O    O N N 218 
LYS CB   C N N 219 
LYS CG   C N N 220 
LYS CD   C N N 221 
LYS CE   C N N 222 
LYS NZ   N N N 223 
LYS OXT  O N N 224 
LYS H    H N N 225 
LYS H2   H N N 226 
LYS HA   H N N 227 
LYS HB2  H N N 228 
LYS HB3  H N N 229 
LYS HG2  H N N 230 
LYS HG3  H N N 231 
LYS HD2  H N N 232 
LYS HD3  H N N 233 
LYS HE2  H N N 234 
LYS HE3  H N N 235 
LYS HZ1  H N N 236 
LYS HZ2  H N N 237 
LYS HZ3  H N N 238 
LYS HXT  H N N 239 
MET N    N N N 240 
MET CA   C N S 241 
MET C    C N N 242 
MET O    O N N 243 
MET CB   C N N 244 
MET CG   C N N 245 
MET SD   S N N 246 
MET CE   C N N 247 
MET OXT  O N N 248 
MET H    H N N 249 
MET H2   H N N 250 
MET HA   H N N 251 
MET HB2  H N N 252 
MET HB3  H N N 253 
MET HG2  H N N 254 
MET HG3  H N N 255 
MET HE1  H N N 256 
MET HE2  H N N 257 
MET HE3  H N N 258 
MET HXT  H N N 259 
NUM N1   N N N 260 
NUM C4   C Y N 261 
NUM C5   C N N 262 
NUM C6   C N N 263 
NUM C7   C N N 264 
NUM C8   C Y N 265 
NUM C10  C Y N 266 
NUM C13  C Y N 267 
NUM C1   C Y N 268 
NUM C11  C Y N 269 
NUM C12  C Y N 270 
NUM C14  C Y N 271 
NUM C2   C Y N 272 
NUM C3   C Y N 273 
NUM C9   C Y N 274 
NUM N2   N Y N 275 
NUM O1   O N N 276 
NUM O2   O N N 277 
NUM H1   H N N 278 
NUM H2   H N N 279 
NUM H3   H N N 280 
NUM H4   H N N 281 
NUM H5   H N N 282 
NUM H6   H N N 283 
NUM H7   H N N 284 
NUM H8   H N N 285 
NUM H9   H N N 286 
NUM H10  H N N 287 
NUM H11  H N N 288 
NUM H12  H N N 289 
NUM H13  H N N 290 
NUM H14  H N N 291 
PHE N    N N N 292 
PHE CA   C N S 293 
PHE C    C N N 294 
PHE O    O N N 295 
PHE CB   C N N 296 
PHE CG   C Y N 297 
PHE CD1  C Y N 298 
PHE CD2  C Y N 299 
PHE CE1  C Y N 300 
PHE CE2  C Y N 301 
PHE CZ   C Y N 302 
PHE OXT  O N N 303 
PHE H    H N N 304 
PHE H2   H N N 305 
PHE HA   H N N 306 
PHE HB2  H N N 307 
PHE HB3  H N N 308 
PHE HD1  H N N 309 
PHE HD2  H N N 310 
PHE HE1  H N N 311 
PHE HE2  H N N 312 
PHE HZ   H N N 313 
PHE HXT  H N N 314 
PRO N    N N N 315 
PRO CA   C N S 316 
PRO C    C N N 317 
PRO O    O N N 318 
PRO CB   C N N 319 
PRO CG   C N N 320 
PRO CD   C N N 321 
PRO OXT  O N N 322 
PRO H    H N N 323 
PRO HA   H N N 324 
PRO HB2  H N N 325 
PRO HB3  H N N 326 
PRO HG2  H N N 327 
PRO HG3  H N N 328 
PRO HD2  H N N 329 
PRO HD3  H N N 330 
PRO HXT  H N N 331 
SER N    N N N 332 
SER CA   C N S 333 
SER C    C N N 334 
SER O    O N N 335 
SER CB   C N N 336 
SER OG   O N N 337 
SER OXT  O N N 338 
SER H    H N N 339 
SER H2   H N N 340 
SER HA   H N N 341 
SER HB2  H N N 342 
SER HB3  H N N 343 
SER HG   H N N 344 
SER HXT  H N N 345 
SO4 S    S N N 346 
SO4 O1   O N N 347 
SO4 O2   O N N 348 
SO4 O3   O N N 349 
SO4 O4   O N N 350 
THR N    N N N 351 
THR CA   C N S 352 
THR C    C N N 353 
THR O    O N N 354 
THR CB   C N R 355 
THR OG1  O N N 356 
THR CG2  C N N 357 
THR OXT  O N N 358 
THR H    H N N 359 
THR H2   H N N 360 
THR HA   H N N 361 
THR HB   H N N 362 
THR HG1  H N N 363 
THR HG21 H N N 364 
THR HG22 H N N 365 
THR HG23 H N N 366 
THR HXT  H N N 367 
TRP N    N N N 368 
TRP CA   C N S 369 
TRP C    C N N 370 
TRP O    O N N 371 
TRP CB   C N N 372 
TRP CG   C Y N 373 
TRP CD1  C Y N 374 
TRP CD2  C Y N 375 
TRP NE1  N Y N 376 
TRP CE2  C Y N 377 
TRP CE3  C Y N 378 
TRP CZ2  C Y N 379 
TRP CZ3  C Y N 380 
TRP CH2  C Y N 381 
TRP OXT  O N N 382 
TRP H    H N N 383 
TRP H2   H N N 384 
TRP HA   H N N 385 
TRP HB2  H N N 386 
TRP HB3  H N N 387 
TRP HD1  H N N 388 
TRP HE1  H N N 389 
TRP HE3  H N N 390 
TRP HZ2  H N N 391 
TRP HZ3  H N N 392 
TRP HH2  H N N 393 
TRP HXT  H N N 394 
TYR N    N N N 395 
TYR CA   C N S 396 
TYR C    C N N 397 
TYR O    O N N 398 
TYR CB   C N N 399 
TYR CG   C Y N 400 
TYR CD1  C Y N 401 
TYR CD2  C Y N 402 
TYR CE1  C Y N 403 
TYR CE2  C Y N 404 
TYR CZ   C Y N 405 
TYR OH   O N N 406 
TYR OXT  O N N 407 
TYR H    H N N 408 
TYR H2   H N N 409 
TYR HA   H N N 410 
TYR HB2  H N N 411 
TYR HB3  H N N 412 
TYR HD1  H N N 413 
TYR HD2  H N N 414 
TYR HE1  H N N 415 
TYR HE2  H N N 416 
TYR HH   H N N 417 
TYR HXT  H N N 418 
VAL N    N N N 419 
VAL CA   C N S 420 
VAL C    C N N 421 
VAL O    O N N 422 
VAL CB   C N N 423 
VAL CG1  C N N 424 
VAL CG2  C N N 425 
VAL OXT  O N N 426 
VAL H    H N N 427 
VAL H2   H N N 428 
VAL HA   H N N 429 
VAL HB   H N N 430 
VAL HG11 H N N 431 
VAL HG12 H N N 432 
VAL HG13 H N N 433 
VAL HG21 H N N 434 
VAL HG22 H N N 435 
VAL HG23 H N N 436 
VAL HXT  H N N 437 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
EDO C1  O1   sing N N 83  
EDO C1  C2   sing N N 84  
EDO C1  H11  sing N N 85  
EDO C1  H12  sing N N 86  
EDO O1  HO1  sing N N 87  
EDO C2  O2   sing N N 88  
EDO C2  H21  sing N N 89  
EDO C2  H22  sing N N 90  
EDO O2  HO2  sing N N 91  
GLN N   CA   sing N N 92  
GLN N   H    sing N N 93  
GLN N   H2   sing N N 94  
GLN CA  C    sing N N 95  
GLN CA  CB   sing N N 96  
GLN CA  HA   sing N N 97  
GLN C   O    doub N N 98  
GLN C   OXT  sing N N 99  
GLN CB  CG   sing N N 100 
GLN CB  HB2  sing N N 101 
GLN CB  HB3  sing N N 102 
GLN CG  CD   sing N N 103 
GLN CG  HG2  sing N N 104 
GLN CG  HG3  sing N N 105 
GLN CD  OE1  doub N N 106 
GLN CD  NE2  sing N N 107 
GLN NE2 HE21 sing N N 108 
GLN NE2 HE22 sing N N 109 
GLN OXT HXT  sing N N 110 
GLU N   CA   sing N N 111 
GLU N   H    sing N N 112 
GLU N   H2   sing N N 113 
GLU CA  C    sing N N 114 
GLU CA  CB   sing N N 115 
GLU CA  HA   sing N N 116 
GLU C   O    doub N N 117 
GLU C   OXT  sing N N 118 
GLU CB  CG   sing N N 119 
GLU CB  HB2  sing N N 120 
GLU CB  HB3  sing N N 121 
GLU CG  CD   sing N N 122 
GLU CG  HG2  sing N N 123 
GLU CG  HG3  sing N N 124 
GLU CD  OE1  doub N N 125 
GLU CD  OE2  sing N N 126 
GLU OE2 HE2  sing N N 127 
GLU OXT HXT  sing N N 128 
GLY N   CA   sing N N 129 
GLY N   H    sing N N 130 
GLY N   H2   sing N N 131 
GLY CA  C    sing N N 132 
GLY CA  HA2  sing N N 133 
GLY CA  HA3  sing N N 134 
GLY C   O    doub N N 135 
GLY C   OXT  sing N N 136 
GLY OXT HXT  sing N N 137 
HIS N   CA   sing N N 138 
HIS N   H    sing N N 139 
HIS N   H2   sing N N 140 
HIS CA  C    sing N N 141 
HIS CA  CB   sing N N 142 
HIS CA  HA   sing N N 143 
HIS C   O    doub N N 144 
HIS C   OXT  sing N N 145 
HIS CB  CG   sing N N 146 
HIS CB  HB2  sing N N 147 
HIS CB  HB3  sing N N 148 
HIS CG  ND1  sing Y N 149 
HIS CG  CD2  doub Y N 150 
HIS ND1 CE1  doub Y N 151 
HIS ND1 HD1  sing N N 152 
HIS CD2 NE2  sing Y N 153 
HIS CD2 HD2  sing N N 154 
HIS CE1 NE2  sing Y N 155 
HIS CE1 HE1  sing N N 156 
HIS NE2 HE2  sing N N 157 
HIS OXT HXT  sing N N 158 
HOH O   H1   sing N N 159 
HOH O   H2   sing N N 160 
ILE N   CA   sing N N 161 
ILE N   H    sing N N 162 
ILE N   H2   sing N N 163 
ILE CA  C    sing N N 164 
ILE CA  CB   sing N N 165 
ILE CA  HA   sing N N 166 
ILE C   O    doub N N 167 
ILE C   OXT  sing N N 168 
ILE CB  CG1  sing N N 169 
ILE CB  CG2  sing N N 170 
ILE CB  HB   sing N N 171 
ILE CG1 CD1  sing N N 172 
ILE CG1 HG12 sing N N 173 
ILE CG1 HG13 sing N N 174 
ILE CG2 HG21 sing N N 175 
ILE CG2 HG22 sing N N 176 
ILE CG2 HG23 sing N N 177 
ILE CD1 HD11 sing N N 178 
ILE CD1 HD12 sing N N 179 
ILE CD1 HD13 sing N N 180 
ILE OXT HXT  sing N N 181 
LEU N   CA   sing N N 182 
LEU N   H    sing N N 183 
LEU N   H2   sing N N 184 
LEU CA  C    sing N N 185 
LEU CA  CB   sing N N 186 
LEU CA  HA   sing N N 187 
LEU C   O    doub N N 188 
LEU C   OXT  sing N N 189 
LEU CB  CG   sing N N 190 
LEU CB  HB2  sing N N 191 
LEU CB  HB3  sing N N 192 
LEU CG  CD1  sing N N 193 
LEU CG  CD2  sing N N 194 
LEU CG  HG   sing N N 195 
LEU CD1 HD11 sing N N 196 
LEU CD1 HD12 sing N N 197 
LEU CD1 HD13 sing N N 198 
LEU CD2 HD21 sing N N 199 
LEU CD2 HD22 sing N N 200 
LEU CD2 HD23 sing N N 201 
LEU OXT HXT  sing N N 202 
LYS N   CA   sing N N 203 
LYS N   H    sing N N 204 
LYS N   H2   sing N N 205 
LYS CA  C    sing N N 206 
LYS CA  CB   sing N N 207 
LYS CA  HA   sing N N 208 
LYS C   O    doub N N 209 
LYS C   OXT  sing N N 210 
LYS CB  CG   sing N N 211 
LYS CB  HB2  sing N N 212 
LYS CB  HB3  sing N N 213 
LYS CG  CD   sing N N 214 
LYS CG  HG2  sing N N 215 
LYS CG  HG3  sing N N 216 
LYS CD  CE   sing N N 217 
LYS CD  HD2  sing N N 218 
LYS CD  HD3  sing N N 219 
LYS CE  NZ   sing N N 220 
LYS CE  HE2  sing N N 221 
LYS CE  HE3  sing N N 222 
LYS NZ  HZ1  sing N N 223 
LYS NZ  HZ2  sing N N 224 
LYS NZ  HZ3  sing N N 225 
LYS OXT HXT  sing N N 226 
MET N   CA   sing N N 227 
MET N   H    sing N N 228 
MET N   H2   sing N N 229 
MET CA  C    sing N N 230 
MET CA  CB   sing N N 231 
MET CA  HA   sing N N 232 
MET C   O    doub N N 233 
MET C   OXT  sing N N 234 
MET CB  CG   sing N N 235 
MET CB  HB2  sing N N 236 
MET CB  HB3  sing N N 237 
MET CG  SD   sing N N 238 
MET CG  HG2  sing N N 239 
MET CG  HG3  sing N N 240 
MET SD  CE   sing N N 241 
MET CE  HE1  sing N N 242 
MET CE  HE2  sing N N 243 
MET CE  HE3  sing N N 244 
MET OXT HXT  sing N N 245 
NUM C14 C13  doub Y N 246 
NUM C14 C1   sing Y N 247 
NUM C13 C4   sing Y N 248 
NUM O1  C1   sing N N 249 
NUM C1  C2   doub Y N 250 
NUM C6  C5   sing N N 251 
NUM C6  N1   sing N N 252 
NUM C4  C5   sing N N 253 
NUM C4  C3   doub Y N 254 
NUM N1  C7   sing N N 255 
NUM C2  C3   sing Y N 256 
NUM N2  C12  doub Y N 257 
NUM N2  C8   sing Y N 258 
NUM C12 C11  sing Y N 259 
NUM C7  C8   sing N N 260 
NUM C7  O2   doub N N 261 
NUM C8  C9   doub Y N 262 
NUM C11 C10  doub Y N 263 
NUM C9  C10  sing Y N 264 
NUM N1  H1   sing N N 265 
NUM C5  H2   sing N N 266 
NUM C5  H3   sing N N 267 
NUM C6  H4   sing N N 268 
NUM C6  H5   sing N N 269 
NUM C10 H6   sing N N 270 
NUM C13 H7   sing N N 271 
NUM C11 H8   sing N N 272 
NUM C12 H9   sing N N 273 
NUM C14 H10  sing N N 274 
NUM C2  H11  sing N N 275 
NUM C3  H12  sing N N 276 
NUM C9  H13  sing N N 277 
NUM O1  H14  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 
SER N   CA   sing N N 319 
SER N   H    sing N N 320 
SER N   H2   sing N N 321 
SER CA  C    sing N N 322 
SER CA  CB   sing N N 323 
SER CA  HA   sing N N 324 
SER C   O    doub N N 325 
SER C   OXT  sing N N 326 
SER CB  OG   sing N N 327 
SER CB  HB2  sing N N 328 
SER CB  HB3  sing N N 329 
SER OG  HG   sing N N 330 
SER OXT HXT  sing N N 331 
SO4 S   O1   doub N N 332 
SO4 S   O2   doub N N 333 
SO4 S   O3   sing N N 334 
SO4 S   O4   sing N N 335 
THR N   CA   sing N N 336 
THR N   H    sing N N 337 
THR N   H2   sing N N 338 
THR CA  C    sing N N 339 
THR CA  CB   sing N N 340 
THR CA  HA   sing N N 341 
THR C   O    doub N N 342 
THR C   OXT  sing N N 343 
THR CB  OG1  sing N N 344 
THR CB  CG2  sing N N 345 
THR CB  HB   sing N N 346 
THR OG1 HG1  sing N N 347 
THR CG2 HG21 sing N N 348 
THR CG2 HG22 sing N N 349 
THR CG2 HG23 sing N N 350 
THR OXT HXT  sing N N 351 
TRP N   CA   sing N N 352 
TRP N   H    sing N N 353 
TRP N   H2   sing N N 354 
TRP CA  C    sing N N 355 
TRP CA  CB   sing N N 356 
TRP CA  HA   sing N N 357 
TRP C   O    doub N N 358 
TRP C   OXT  sing N N 359 
TRP CB  CG   sing N N 360 
TRP CB  HB2  sing N N 361 
TRP CB  HB3  sing N N 362 
TRP CG  CD1  doub Y N 363 
TRP CG  CD2  sing Y N 364 
TRP CD1 NE1  sing Y N 365 
TRP CD1 HD1  sing N N 366 
TRP CD2 CE2  doub Y N 367 
TRP CD2 CE3  sing Y N 368 
TRP NE1 CE2  sing Y N 369 
TRP NE1 HE1  sing N N 370 
TRP CE2 CZ2  sing Y N 371 
TRP CE3 CZ3  doub Y N 372 
TRP CE3 HE3  sing N N 373 
TRP CZ2 CH2  doub Y N 374 
TRP CZ2 HZ2  sing N N 375 
TRP CZ3 CH2  sing Y N 376 
TRP CZ3 HZ3  sing N N 377 
TRP CH2 HH2  sing N N 378 
TRP OXT HXT  sing N N 379 
TYR N   CA   sing N N 380 
TYR N   H    sing N N 381 
TYR N   H2   sing N N 382 
TYR CA  C    sing N N 383 
TYR CA  CB   sing N N 384 
TYR CA  HA   sing N N 385 
TYR C   O    doub N N 386 
TYR C   OXT  sing N N 387 
TYR CB  CG   sing N N 388 
TYR CB  HB2  sing N N 389 
TYR CB  HB3  sing N N 390 
TYR CG  CD1  doub Y N 391 
TYR CG  CD2  sing Y N 392 
TYR CD1 CE1  sing Y N 393 
TYR CD1 HD1  sing N N 394 
TYR CD2 CE2  doub Y N 395 
TYR CD2 HD2  sing N N 396 
TYR CE1 CZ   doub Y N 397 
TYR CE1 HE1  sing N N 398 
TYR CE2 CZ   sing Y N 399 
TYR CE2 HE2  sing N N 400 
TYR CZ  OH   sing N N 401 
TYR OH  HH   sing N N 402 
TYR OXT HXT  sing N N 403 
VAL N   CA   sing N N 404 
VAL N   H    sing N N 405 
VAL N   H2   sing N N 406 
VAL CA  C    sing N N 407 
VAL CA  CB   sing N N 408 
VAL CA  HA   sing N N 409 
VAL C   O    doub N N 410 
VAL C   OXT  sing N N 411 
VAL CB  CG1  sing N N 412 
VAL CB  CG2  sing N N 413 
VAL CB  HB   sing N N 414 
VAL CG1 HG11 sing N N 415 
VAL CG1 HG12 sing N N 416 
VAL CG1 HG13 sing N N 417 
VAL CG2 HG21 sing N N 418 
VAL CG2 HG22 sing N N 419 
VAL CG2 HG23 sing N N 420 
VAL OXT HXT  sing N N 421 
# 
_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                    7HO2 
_atom_sites.fract_transf_matrix[1][1]   0.010486 
_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]   0.010486 
_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]   0.021850 
_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   ? -13.309 -12.662 -9.928  1.00 53.39 ? 8   HIS B N   1 
ATOM   2    C CA  . HIS A 1 2   ? -12.776 -13.368 -11.144 1.00 47.10 ? 8   HIS B CA  1 
ATOM   3    C C   . HIS A 1 2   ? -11.642 -12.547 -11.767 1.00 44.19 ? 8   HIS B C   1 
ATOM   4    O O   . HIS A 1 2   ? -11.494 -11.346 -11.415 1.00 46.62 ? 8   HIS B O   1 
ATOM   5    C CB  . HIS A 1 2   ? -13.907 -13.644 -12.157 1.00 41.64 ? 8   HIS B CB  1 
ATOM   6    C CG  . HIS A 1 2   ? -14.475 -12.418 -12.799 1.00 37.21 ? 8   HIS B CG  1 
ATOM   7    N ND1 . HIS A 1 2   ? -13.876 -11.817 -13.892 1.00 36.67 ? 8   HIS B ND1 1 
ATOM   8    C CD2 . HIS A 1 2   ? -15.573 -11.681 -12.525 1.00 33.50 ? 8   HIS B CD2 1 
ATOM   9    C CE1 . HIS A 1 2   ? -14.578 -10.756 -14.254 1.00 35.98 ? 8   HIS B CE1 1 
ATOM   10   N NE2 . HIS A 1 2   ? -15.617 -10.635 -13.422 1.00 29.37 ? 8   HIS B NE2 1 
ATOM   11   N N   . HIS A 1 3   ? -10.910 -13.159 -12.697 1.00 40.16 ? 9   HIS B N   1 
ATOM   12   C CA  . HIS A 1 3   ? -9.764  -12.560 -13.430 1.00 39.49 ? 9   HIS B CA  1 
ATOM   13   C C   . HIS A 1 3   ? -9.976  -12.676 -14.947 1.00 33.92 ? 9   HIS B C   1 
ATOM   14   O O   . HIS A 1 3   ? -8.977  -12.886 -15.667 1.00 34.46 ? 9   HIS B O   1 
ATOM   15   C CB  . HIS A 1 3   ? -8.466  -13.214 -12.924 1.00 47.27 ? 9   HIS B CB  1 
ATOM   16   C CG  . HIS A 1 3   ? -8.294  -13.028 -11.451 1.00 56.40 ? 9   HIS B CG  1 
ATOM   17   N ND1 . HIS A 1 3   ? -8.036  -11.784 -10.891 1.00 57.80 ? 9   HIS B ND1 1 
ATOM   18   C CD2 . HIS A 1 3   ? -8.393  -13.894 -10.420 1.00 61.33 ? 9   HIS B CD2 1 
ATOM   19   C CE1 . HIS A 1 3   ? -7.962  -11.900 -9.581  1.00 60.80 ? 9   HIS B CE1 1 
ATOM   20   N NE2 . HIS A 1 3   ? -8.169  -13.187 -9.267  1.00 62.63 ? 9   HIS B NE2 1 
ATOM   21   N N   . HIS A 1 4   ? -11.222 -12.500 -15.426 1.00 28.38 ? 10  HIS B N   1 
ATOM   22   C CA  . HIS A 1 4   ? -11.639 -12.702 -16.846 1.00 23.83 ? 10  HIS B CA  1 
ATOM   23   C C   . HIS A 1 4   ? -11.615 -11.366 -17.599 1.00 24.67 ? 10  HIS B C   1 
ATOM   24   O O   . HIS A 1 4   ? -11.768 -11.363 -18.844 1.00 22.22 ? 10  HIS B O   1 
ATOM   25   C CB  . HIS A 1 4   ? -13.044 -13.340 -16.935 1.00 23.85 ? 10  HIS B CB  1 
ATOM   26   C CG  . HIS A 1 4   ? -13.146 -14.707 -16.349 1.00 25.23 ? 10  HIS B CG  1 
ATOM   27   N ND1 . HIS A 1 4   ? -12.254 -15.717 -16.662 1.00 25.06 ? 10  HIS B ND1 1 
ATOM   28   C CD2 . HIS A 1 4   ? -14.046 -15.260 -15.506 1.00 23.61 ? 10  HIS B CD2 1 
ATOM   29   C CE1 . HIS A 1 4   ? -12.586 -16.820 -16.017 1.00 29.42 ? 10  HIS B CE1 1 
ATOM   30   N NE2 . HIS A 1 4   ? -13.677 -16.562 -15.307 1.00 27.99 ? 10  HIS B NE2 1 
ATOM   31   N N   . HIS A 1 5   ? -11.392 -10.254 -16.896 1.00 26.74 ? 11  HIS B N   1 
ATOM   32   C CA  . HIS A 1 5   ? -11.531 -8.882  -17.448 1.00 26.95 ? 11  HIS B CA  1 
ATOM   33   C C   . HIS A 1 5   ? -10.645 -8.670  -18.683 1.00 25.42 ? 11  HIS B C   1 
ATOM   34   O O   . HIS A 1 5   ? -11.101 -7.968  -19.594 1.00 26.42 ? 11  HIS B O   1 
ATOM   35   C CB  . HIS A 1 5   ? -11.255 -7.810  -16.373 1.00 32.80 ? 11  HIS B CB  1 
ATOM   36   C CG  . HIS A 1 5   ? -12.109 -7.954  -15.162 1.00 36.91 ? 11  HIS B CG  1 
ATOM   37   N ND1 . HIS A 1 5   ? -11.717 -8.718  -14.067 1.00 42.18 ? 11  HIS B ND1 1 
ATOM   38   C CD2 . HIS A 1 5   ? -13.330 -7.449  -14.862 1.00 39.02 ? 11  HIS B CD2 1 
ATOM   39   C CE1 . HIS A 1 5   ? -12.667 -8.680  -13.143 1.00 41.14 ? 11  HIS B CE1 1 
ATOM   40   N NE2 . HIS A 1 5   ? -13.673 -7.910  -13.610 1.00 41.03 ? 11  HIS B NE2 1 
ATOM   41   N N   . HIS A 1 6   ? -9.455  -9.291  -18.757 1.00 24.72 ? 12  HIS B N   1 
ATOM   42   C CA  . HIS A 1 6   ? -8.494  -9.114  -19.880 1.00 25.18 ? 12  HIS B CA  1 
ATOM   43   C C   . HIS A 1 6   ? -9.007  -9.734  -21.189 1.00 23.98 ? 12  HIS B C   1 
ATOM   44   O O   . HIS A 1 6   ? -8.390  -9.504  -22.225 1.00 25.47 ? 12  HIS B O   1 
ATOM   45   C CB  . HIS A 1 6   ? -7.109  -9.671  -19.507 1.00 29.74 ? 12  HIS B CB  1 
ATOM   46   C CG  . HIS A 1 6   ? -7.115  -11.105 -19.113 1.00 28.79 ? 12  HIS B CG  1 
ATOM   47   N ND1 . HIS A 1 6   ? -6.526  -12.097 -19.891 1.00 35.06 ? 12  HIS B ND1 1 
ATOM   48   C CD2 . HIS A 1 6   ? -7.587  -11.724 -18.011 1.00 30.89 ? 12  HIS B CD2 1 
ATOM   49   C CE1 . HIS A 1 6   ? -6.657  -13.260 -19.288 1.00 28.62 ? 12  HIS B CE1 1 
ATOM   50   N NE2 . HIS A 1 6   ? -7.310  -13.065 -18.141 1.00 33.91 ? 12  HIS B NE2 1 
ATOM   51   N N   . HIS A 1 7   ? -10.071 -10.548 -21.172 1.00 20.22 ? 13  HIS B N   1 
ATOM   52   C CA  . HIS A 1 7   ? -10.732 -11.091 -22.393 1.00 17.82 ? 13  HIS B CA  1 
ATOM   53   C C   . HIS A 1 7   ? -11.839 -10.164 -22.866 1.00 15.79 ? 13  HIS B C   1 
ATOM   54   O O   . HIS A 1 7   ? -12.649 -10.616 -23.666 1.00 14.83 ? 13  HIS B O   1 
ATOM   55   C CB  . HIS A 1 7   ? -11.285 -12.478 -22.126 1.00 17.16 ? 13  HIS B CB  1 
ATOM   56   C CG  . HIS A 1 7   ? -10.219 -13.451 -21.725 1.00 17.39 ? 13  HIS B CG  1 
ATOM   57   N ND1 . HIS A 1 7   ? -9.199  -13.785 -22.594 1.00 17.86 ? 13  HIS B ND1 1 
ATOM   58   C CD2 . HIS A 1 7   ? -10.055 -14.160 -20.594 1.00 18.09 ? 13  HIS B CD2 1 
ATOM   59   C CE1 . HIS A 1 7   ? -8.409  -14.640 -21.975 1.00 18.67 ? 13  HIS B CE1 1 
ATOM   60   N NE2 . HIS A 1 7   ? -8.901  -14.909 -20.770 1.00 19.69 ? 13  HIS B NE2 1 
ATOM   61   N N   . MET A 1 8   ? -11.898 -8.943  -22.366 1.00 15.74 ? 14  MET B N   1 
ATOM   62   C CA  . MET A 1 8   ? -12.944 -7.957  -22.728 1.00 18.45 ? 14  MET B CA  1 
ATOM   63   C C   . MET A 1 8   ? -13.027 -7.812  -24.238 1.00 17.80 ? 14  MET B C   1 
ATOM   64   O O   . MET A 1 8   ? -11.979 -7.646  -24.921 1.00 20.38 ? 14  MET B O   1 
ATOM   65   C CB  . MET A 1 8   ? -12.629 -6.584  -22.128 1.00 22.26 ? 14  MET B CB  1 
ATOM   66   C CG  . MET A 1 8   ? -13.681 -5.504  -22.380 1.00 28.09 ? 14  MET B CG  1 
ATOM   67   S SD  . MET A 1 8   ? -15.246 -5.748  -21.460 1.00 40.19 ? 14  MET B SD  1 
ATOM   68   C CE  . MET A 1 8   ? -14.798 -5.098  -19.856 1.00 34.66 ? 14  MET B CE  1 
ATOM   69   N N   . VAL A 1 9   ? -14.240 -7.805  -24.767 1.00 15.45 ? 15  VAL B N   1 
ATOM   70   C CA  . VAL A 1 9   ? -14.542 -7.577  -26.202 1.00 16.19 ? 15  VAL B CA  1 
ATOM   71   C C   . VAL A 1 9   ? -15.533 -6.404  -26.276 1.00 16.17 ? 15  VAL B C   1 
ATOM   72   O O   . VAL A 1 9   ? -16.406 -6.260  -25.406 1.00 16.53 ? 15  VAL B O   1 
ATOM   73   C CB  . VAL A 1 9   ? -15.072 -8.827  -26.924 1.00 16.69 ? 15  VAL B CB  1 
ATOM   74   C CG1 . VAL A 1 9   ? -13.992 -9.880  -27.072 1.00 20.40 ? 15  VAL B CG1 1 
ATOM   75   C CG2 . VAL A 1 9   ? -16.272 -9.457  -26.262 1.00 18.47 ? 15  VAL B CG2 1 
ATOM   76   N N   . HIS A 1 10  ? -15.451 -5.622  -27.340 1.00 16.37 ? 16  HIS B N   1 
ATOM   77   C CA  . HIS A 1 10  ? -16.345 -4.472  -27.584 1.00 16.37 ? 16  HIS B CA  1 
ATOM   78   C C   . HIS A 1 10  ? -17.568 -4.957  -28.358 1.00 16.49 ? 16  HIS B C   1 
ATOM   79   O O   . HIS A 1 10  ? -17.461 -5.320  -29.529 1.00 20.79 ? 16  HIS B O   1 
ATOM   80   C CB  . HIS A 1 10  ? -15.603 -3.397  -28.374 1.00 17.66 ? 16  HIS B CB  1 
ATOM   81   C CG  . HIS A 1 10  ? -16.376 -2.132  -28.566 1.00 21.65 ? 16  HIS B CG  1 
ATOM   82   N ND1 . HIS A 1 10  ? -16.468 -1.180  -27.589 1.00 25.27 ? 16  HIS B ND1 1 
ATOM   83   C CD2 . HIS A 1 10  ? -17.105 -1.697  -29.615 1.00 25.35 ? 16  HIS B CD2 1 
ATOM   84   C CE1 . HIS A 1 10  ? -17.200 -0.170  -28.031 1.00 23.12 ? 16  HIS B CE1 1 
ATOM   85   N NE2 . HIS A 1 10  ? -17.613 -0.473  -29.281 1.00 27.82 ? 16  HIS B NE2 1 
ATOM   86   N N   . ILE A 1 11  ? -18.687 -5.101  -27.663 1.00 13.35 ? 17  ILE B N   1 
ATOM   87   C CA  . ILE A 1 11  ? -19.928 -5.582  -28.296 1.00 13.74 ? 17  ILE B CA  1 
ATOM   88   C C   . ILE A 1 11  ? -20.731 -4.376  -28.826 1.00 13.14 ? 17  ILE B C   1 
ATOM   89   O O   . ILE A 1 11  ? -20.799 -3.362  -28.150 1.00 13.49 ? 17  ILE B O   1 
ATOM   90   C CB  . ILE A 1 11  ? -20.734 -6.407  -27.272 1.00 13.14 ? 17  ILE B CB  1 
ATOM   91   C CG1 . ILE A 1 11  ? -19.917 -7.604  -26.759 1.00 13.99 ? 17  ILE B CG1 1 
ATOM   92   C CG2 . ILE A 1 11  ? -22.077 -6.828  -27.854 1.00 12.78 ? 17  ILE B CG2 1 
ATOM   93   C CD1 . ILE A 1 11  ? -19.369 -8.518  -27.839 1.00 13.87 ? 17  ILE B CD1 1 
ATOM   94   N N   . THR A 1 12  ? -21.349 -4.575  -29.967 1.00 12.98 ? 18  THR B N   1 
ATOM   95   C CA  . THR A 1 12  ? -22.327 -3.595  -30.529 1.00 13.61 ? 18  THR B CA  1 
ATOM   96   C C   . THR A 1 12  ? -23.583 -4.355  -30.926 1.00 14.02 ? 18  THR B C   1 
ATOM   97   O O   . THR A 1 12  ? -23.540 -5.582  -31.204 1.00 14.89 ? 18  THR B O   1 
ATOM   98   C CB  . THR A 1 12  ? -21.748 -2.811  -31.710 1.00 15.80 ? 18  THR B CB  1 
ATOM   99   O OG1 . THR A 1 12  ? -21.408 -3.710  -32.750 1.00 17.26 ? 18  THR B OG1 1 
ATOM   100  C CG2 . THR A 1 12  ? -20.584 -1.915  -31.334 1.00 17.50 ? 18  THR B CG2 1 
ATOM   101  N N   . LEU A 1 13  ? -24.727 -3.660  -30.854 1.00 12.12 ? 19  LEU B N   1 
ATOM   102  C CA  . LEU A 1 13  ? -26.020 -4.307  -31.160 1.00 12.10 ? 19  LEU B CA  1 
ATOM   103  C C   . LEU A 1 13  ? -26.310 -4.304  -32.655 1.00 12.32 ? 19  LEU B C   1 
ATOM   104  O O   . LEU A 1 13  ? -25.982 -3.288  -33.334 1.00 14.06 ? 19  LEU B O   1 
ATOM   105  C CB  . LEU A 1 13  ? -27.097 -3.548  -30.405 1.00 12.80 ? 19  LEU B CB  1 
ATOM   106  C CG  . LEU A 1 13  ? -26.909 -3.626  -28.911 1.00 12.11 ? 19  LEU B CG  1 
ATOM   107  C CD1 . LEU A 1 13  ? -27.895 -2.716  -28.159 1.00 14.11 ? 19  LEU B CD1 1 
ATOM   108  C CD2 . LEU A 1 13  ? -27.014 -5.073  -28.408 1.00 13.58 ? 19  LEU B CD2 1 
ATOM   109  N N   . ASP A 1 14  ? -26.900 -5.352  -33.152 1.00 11.43 ? 20  ASP B N   1 
ATOM   110  C CA  . ASP A 1 14  ? -27.279 -5.522  -34.577 1.00 11.64 ? 20  ASP B CA  1 
ATOM   111  C C   . ASP A 1 14  ? -28.767 -5.135  -34.758 1.00 12.33 ? 20  ASP B C   1 
ATOM   112  O O   . ASP A 1 14  ? -29.654 -5.920  -34.447 1.00 12.03 ? 20  ASP B O   1 
ATOM   113  C CB  . ASP A 1 14  ? -27.009 -6.944  -35.062 1.00 12.21 ? 20  ASP B CB  1 
ATOM   114  C CG  . ASP A 1 14  ? -27.325 -7.232  -36.517 1.00 15.40 ? 20  ASP B CG  1 
ATOM   115  O OD1 . ASP A 1 14  ? -27.977 -6.359  -37.148 1.00 15.63 ? 20  ASP B OD1 1 
ATOM   116  O OD2 . ASP A 1 14  ? -27.021 -8.349  -37.021 1.00 16.00 ? 20  ASP B OD2 1 
ATOM   117  N N   A ARG A 1 15  ? -28.977 -3.914  -35.275 0.25 13.42 ? 21  ARG B N   1 
ATOM   118  N N   B ARG A 1 15  ? -29.008 -3.919  -35.263 0.25 13.80 ? 21  ARG B N   1 
ATOM   119  C CA  A ARG A 1 15  ? -30.300 -3.283  -35.551 0.25 14.53 ? 21  ARG B CA  1 
ATOM   120  C CA  B ARG A 1 15  ? -30.371 -3.343  -35.450 0.25 15.04 ? 21  ARG B CA  1 
ATOM   121  C C   A ARG A 1 15  ? -31.220 -4.231  -36.314 0.25 14.06 ? 21  ARG B C   1 
ATOM   122  C C   B ARG A 1 15  ? -31.247 -4.257  -36.308 0.25 14.43 ? 21  ARG B C   1 
ATOM   123  O O   A ARG A 1 15  ? -32.436 -4.229  -36.037 0.25 13.92 ? 21  ARG B O   1 
ATOM   124  O O   B ARG A 1 15  ? -32.473 -4.282  -36.077 0.25 14.12 ? 21  ARG B O   1 
ATOM   125  C CB  A ARG A 1 15  ? -30.126 -2.016  -36.402 0.25 15.96 ? 21  ARG B CB  1 
ATOM   126  C CB  B ARG A 1 15  ? -30.298 -1.961  -36.115 0.25 17.33 ? 21  ARG B CB  1 
ATOM   127  C CG  A ARG A 1 15  ? -29.269 -0.941  -35.748 0.25 17.91 ? 21  ARG B CG  1 
ATOM   128  C CG  B ARG A 1 15  ? -29.894 -0.836  -35.175 0.25 19.93 ? 21  ARG B CG  1 
ATOM   129  C CD  A ARG A 1 15  ? -29.174 0.336   -36.575 0.25 18.65 ? 21  ARG B CD  1 
ATOM   130  C CD  B ARG A 1 15  ? -28.476 -0.339  -35.401 0.25 22.85 ? 21  ARG B CD  1 
ATOM   131  N NE  A ARG A 1 15  ? -28.644 1.399   -35.739 0.25 19.88 ? 21  ARG B NE  1 
ATOM   132  N NE  B ARG A 1 15  ? -28.321 0.637   -36.482 0.25 25.53 ? 21  ARG B NE  1 
ATOM   133  C CZ  A ARG A 1 15  ? -29.355 2.009   -34.811 0.25 19.41 ? 21  ARG B CZ  1 
ATOM   134  C CZ  B ARG A 1 15  ? -27.826 0.378   -37.695 0.25 28.17 ? 21  ARG B CZ  1 
ATOM   135  N NH1 A ARG A 1 15  ? -30.624 1.684   -34.661 0.25 20.64 ? 21  ARG B NH1 1 
ATOM   136  N NH1 B ARG A 1 15  ? -27.447 -0.841  -38.030 0.25 30.46 ? 21  ARG B NH1 1 
ATOM   137  N NH2 A ARG A 1 15  ? -28.808 2.939   -34.052 0.25 20.54 ? 21  ARG B NH2 1 
ATOM   138  N NH2 B ARG A 1 15  ? -27.729 1.348   -38.586 0.25 30.24 ? 21  ARG B NH2 1 
ATOM   139  N N   . ASN A 1 16  ? -30.667 -4.985  -37.262 1.00 13.46 ? 22  ASN B N   1 
ATOM   140  C CA  . ASN A 1 16  ? -31.462 -5.826  -38.173 1.00 14.94 ? 22  ASN B CA  1 
ATOM   141  C C   . ASN A 1 16  ? -32.145 -6.969  -37.432 1.00 13.10 ? 22  ASN B C   1 
ATOM   142  O O   . ASN A 1 16  ? -33.129 -7.490  -37.932 1.00 13.01 ? 22  ASN B O   1 
ATOM   143  C CB  . ASN A 1 16  ? -30.590 -6.297  -39.339 1.00 18.69 ? 22  ASN B CB  1 
ATOM   144  C CG  . ASN A 1 16  ? -30.392 -5.189  -40.355 1.00 25.45 ? 22  ASN B CG  1 
ATOM   145  O OD1 . ASN A 1 16  ? -31.149 -4.220  -40.397 1.00 32.26 ? 22  ASN B OD1 1 
ATOM   146  N ND2 . ASN A 1 16  ? -29.370 -5.330  -41.181 1.00 37.30 ? 22  ASN B ND2 1 
ATOM   147  N N   . THR A 1 17  ? -31.615 -7.389  -36.258 1.00 11.17 ? 23  THR B N   1 
ATOM   148  C CA  . THR A 1 17  ? -32.150 -8.502  -35.477 1.00 11.14 ? 23  THR B CA  1 
ATOM   149  C C   . THR A 1 17  ? -33.184 -8.013  -34.449 1.00 10.34 ? 23  THR B C   1 
ATOM   150  O O   . THR A 1 17  ? -33.860 -8.851  -33.836 1.00 10.82 ? 23  THR B O   1 
ATOM   151  C CB  . THR A 1 17  ? -31.055 -9.286  -34.733 1.00 11.30 ? 23  THR B CB  1 
ATOM   152  O OG1 . THR A 1 17  ? -30.489 -8.485  -33.684 1.00 11.84 ? 23  THR B OG1 1 
ATOM   153  C CG2 . THR A 1 17  ? -30.030 -9.844  -35.708 1.00 12.07 ? 23  THR B CG2 1 
ATOM   154  N N   . ALA A 1 18  ? -33.242 -6.712  -34.231 1.00 10.31 ? 24  ALA B N   1 
ATOM   155  C CA  . ALA A 1 18  ? -34.037 -6.156  -33.112 1.00 10.69 ? 24  ALA B CA  1 
ATOM   156  C C   . ALA A 1 18  ? -35.527 -6.345  -33.356 1.00 10.99 ? 24  ALA B C   1 
ATOM   157  O O   . ALA A 1 18  ? -36.040 -6.070  -34.476 1.00 12.03 ? 24  ALA B O   1 
ATOM   158  C CB  . ALA A 1 18  ? -33.739 -4.705  -32.949 1.00 11.38 ? 24  ALA B CB  1 
ATOM   159  N N   . ASN A 1 19  ? -36.273 -6.637  -32.328 1.00 10.78 ? 25  ASN B N   1 
ATOM   160  C CA  . ASN A 1 19  ? -37.736 -6.436  -32.353 1.00 10.82 ? 25  ASN B CA  1 
ATOM   161  C C   . ASN A 1 19  ? -38.013 -4.999  -32.804 1.00 10.30 ? 25  ASN B C   1 
ATOM   162  O O   . ASN A 1 19  ? -37.307 -4.061  -32.465 1.00 9.97  ? 25  ASN B O   1 
ATOM   163  C CB  . ASN A 1 19  ? -38.285 -6.769  -30.976 1.00 11.91 ? 25  ASN B CB  1 
ATOM   164  C CG  . ASN A 1 19  ? -39.763 -6.514  -30.855 1.00 13.20 ? 25  ASN B CG  1 
ATOM   165  O OD1 . ASN A 1 19  ? -40.207 -5.391  -30.674 1.00 13.49 ? 25  ASN B OD1 1 
ATOM   166  N ND2 . ASN A 1 19  ? -40.514 -7.572  -30.847 1.00 18.12 ? 25  ASN B ND2 1 
ATOM   167  N N   . SER A 1 20  ? -39.090 -4.857  -33.570 1.00 10.24 ? 26  SER B N   1 
ATOM   168  C CA  . SER A 1 20  ? -39.455 -3.585  -34.228 1.00 10.61 ? 26  SER B CA  1 
ATOM   169  C C   . SER A 1 20  ? -39.836 -2.493  -33.236 1.00 10.62 ? 26  SER B C   1 
ATOM   170  O O   . SER A 1 20  ? -39.944 -1.347  -33.714 1.00 12.12 ? 26  SER B O   1 
ATOM   171  C CB  . SER A 1 20  ? -40.572 -3.813  -35.216 1.00 11.95 ? 26  SER B CB  1 
ATOM   172  O OG  . SER A 1 20  ? -41.695 -4.274  -34.510 1.00 15.05 ? 26  SER B OG  1 
ATOM   173  N N   . TRP A 1 21  ? -40.034 -2.754  -31.953 1.00 9.73  ? 27  TRP B N   1 
ATOM   174  C CA  . TRP A 1 21  ? -40.328 -1.723  -30.939 1.00 10.33 ? 27  TRP B CA  1 
ATOM   175  C C   . TRP A 1 21  ? -39.068 -1.209  -30.244 1.00 10.78 ? 27  TRP B C   1 
ATOM   176  O O   . TRP A 1 21  ? -39.191 -0.309  -29.413 1.00 11.14 ? 27  TRP B O   1 
ATOM   177  C CB  . TRP A 1 21  ? -41.332 -2.238  -29.940 1.00 10.98 ? 27  TRP B CB  1 
ATOM   178  C CG  . TRP A 1 21  ? -42.732 -2.364  -30.485 1.00 11.51 ? 27  TRP B CG  1 
ATOM   179  C CD1 . TRP A 1 21  ? -43.131 -2.899  -31.676 1.00 11.26 ? 27  TRP B CD1 1 
ATOM   180  C CD2 . TRP A 1 21  ? -43.913 -1.927  -29.815 1.00 13.31 ? 27  TRP B CD2 1 
ATOM   181  N NE1 . TRP A 1 21  ? -44.508 -2.809  -31.791 1.00 13.37 ? 27  TRP B NE1 1 
ATOM   182  C CE2 . TRP A 1 21  ? -44.994 -2.265  -30.656 1.00 12.66 ? 27  TRP B CE2 1 
ATOM   183  C CE3 . TRP A 1 21  ? -44.156 -1.302  -28.592 1.00 15.31 ? 27  TRP B CE3 1 
ATOM   184  C CZ2 . TRP A 1 21  ? -46.317 -1.970  -30.288 1.00 14.98 ? 27  TRP B CZ2 1 
ATOM   185  C CZ3 . TRP A 1 21  ? -45.464 -1.039  -28.212 1.00 17.64 ? 27  TRP B CZ3 1 
ATOM   186  C CH2 . TRP A 1 21  ? -46.515 -1.402  -29.049 1.00 17.61 ? 27  TRP B CH2 1 
ATOM   187  N N   . LEU A 1 22  ? -37.900 -1.826  -30.529 1.00 10.19 ? 28  LEU B N   1 
ATOM   188  C CA  . LEU A 1 22  ? -36.689 -1.426  -29.776 1.00 10.71 ? 28  LEU B CA  1 
ATOM   189  C C   . LEU A 1 22  ? -36.084 -0.170  -30.402 1.00 11.23 ? 28  LEU B C   1 
ATOM   190  O O   . LEU A 1 22  ? -36.098 0.027   -31.632 1.00 11.85 ? 28  LEU B O   1 
ATOM   191  C CB  . LEU A 1 22  ? -35.667 -2.563  -29.794 1.00 9.95  ? 28  LEU B CB  1 
ATOM   192  C CG  . LEU A 1 22  ? -36.089 -3.827  -29.062 1.00 11.38 ? 28  LEU B CG  1 
ATOM   193  C CD1 . LEU A 1 22  ? -34.975 -4.880  -29.086 1.00 11.19 ? 28  LEU B CD1 1 
ATOM   194  C CD2 . LEU A 1 22  ? -36.493 -3.560  -27.647 1.00 12.01 ? 28  LEU B CD2 1 
ATOM   195  N N   . ILE A 1 23  ? -35.463 0.604   -29.533 1.00 10.45 ? 29  ILE B N   1 
ATOM   196  C CA  . ILE A 1 23  ? -34.698 1.831   -29.890 1.00 12.50 ? 29  ILE B CA  1 
ATOM   197  C C   . ILE A 1 23  ? -33.248 1.626   -29.459 1.00 12.04 ? 29  ILE B C   1 
ATOM   198  O O   . ILE A 1 23  ? -32.964 1.501   -28.248 1.00 12.40 ? 29  ILE B O   1 
ATOM   199  C CB  . ILE A 1 23  ? -35.278 3.073   -29.258 1.00 13.10 ? 29  ILE B CB  1 
ATOM   200  C CG1 . ILE A 1 23  ? -36.745 3.310   -29.671 1.00 13.18 ? 29  ILE B CG1 1 
ATOM   201  C CG2 . ILE A 1 23  ? -34.407 4.288   -29.618 1.00 14.87 ? 29  ILE B CG2 1 
ATOM   202  C CD1 . ILE A 1 23  ? -37.432 4.359   -28.927 1.00 15.67 ? 29  ILE B CD1 1 
ATOM   203  N N   . ILE A 1 24  ? -32.384 1.548   -30.453 1.00 13.69 ? 30  ILE B N   1 
ATOM   204  C CA  . ILE A 1 24  ? -30.926 1.344   -30.232 1.00 13.77 ? 30  ILE B CA  1 
ATOM   205  C C   . ILE A 1 24  ? -30.213 2.672   -30.399 1.00 15.06 ? 30  ILE B C   1 
ATOM   206  O O   . ILE A 1 24  ? -30.502 3.438   -31.377 1.00 16.12 ? 30  ILE B O   1 
ATOM   207  C CB  . ILE A 1 24  ? -30.416 0.283   -31.181 1.00 15.24 ? 30  ILE B CB  1 
ATOM   208  C CG1 . ILE A 1 24  ? -31.010 -1.063  -30.809 1.00 17.26 ? 30  ILE B CG1 1 
ATOM   209  C CG2 . ILE A 1 24  ? -28.891 0.180   -31.179 1.00 15.62 ? 30  ILE B CG2 1 
ATOM   210  C CD1 . ILE A 1 24  ? -30.807 -2.097  -31.781 1.00 18.25 ? 30  ILE B CD1 1 
ATOM   211  N N   . SER A 1 25  ? -29.316 3.023   -29.517 1.00 14.84 ? 31  SER B N   1 
ATOM   212  C CA  . SER A 1 25  ? -28.595 4.301   -29.579 1.00 15.25 ? 31  SER B CA  1 
ATOM   213  C C   . SER A 1 25  ? -27.692 4.361   -30.824 1.00 13.41 ? 31  SER B C   1 
ATOM   214  O O   . SER A 1 25  ? -27.328 3.364   -31.408 1.00 13.97 ? 31  SER B O   1 
ATOM   215  C CB  . SER A 1 25  ? -27.843 4.484   -28.315 1.00 16.03 ? 31  SER B CB  1 
ATOM   216  O OG  . SER A 1 25  ? -26.887 3.428   -28.176 1.00 15.82 ? 31  SER B OG  1 
ATOM   217  N N   . LYS A 1 26  ? -27.294 5.602   -31.166 1.00 16.61 ? 32  LYS B N   1 
ATOM   218  C CA  . LYS A 1 26  ? -26.378 5.863   -32.304 1.00 16.97 ? 32  LYS B CA  1 
ATOM   219  C C   . LYS A 1 26  ? -25.119 5.006   -32.181 1.00 15.54 ? 32  LYS B C   1 
ATOM   220  O O   . LYS A 1 26  ? -24.678 4.501   -33.209 1.00 17.69 ? 32  LYS B O   1 
ATOM   221  C CB  . LYS A 1 26  ? -26.005 7.354   -32.340 1.00 19.01 ? 32  LYS B CB  1 
ATOM   222  C CG  . LYS A 1 26  ? -25.119 7.712   -33.508 1.00 21.47 ? 32  LYS B CG  1 
ATOM   223  C CD  . LYS A 1 26  ? -25.302 9.157   -33.875 1.00 22.89 ? 32  LYS B CD  1 
ATOM   224  C CE  . LYS A 1 26  ? -24.973 10.021  -32.689 1.00 27.70 ? 32  LYS B CE  1 
ATOM   225  N NZ  . LYS A 1 26  ? -25.375 11.407  -32.939 1.00 32.28 ? 32  LYS B NZ  1 
ATOM   226  N N   . ASP A 1 27  ? -24.534 4.939   -30.988 1.00 16.19 ? 33  ASP B N   1 
ATOM   227  C CA  . ASP A 1 27  ? -23.275 4.166   -30.807 1.00 15.36 ? 33  ASP B CA  1 
ATOM   228  C C   . ASP A 1 27  ? -23.528 2.643   -30.804 1.00 14.06 ? 33  ASP B C   1 
ATOM   229  O O   . ASP A 1 27  ? -22.531 1.890   -30.710 1.00 14.58 ? 33  ASP B O   1 
ATOM   230  C CB  . ASP A 1 27  ? -22.496 4.637   -29.582 1.00 16.64 ? 33  ASP B CB  1 
ATOM   231  C CG  . ASP A 1 27  ? -23.165 4.391   -28.245 1.00 16.55 ? 33  ASP B CG  1 
ATOM   232  O OD1 . ASP A 1 27  ? -24.277 3.775   -28.238 1.00 17.32 ? 33  ASP B OD1 1 
ATOM   233  O OD2 . ASP A 1 27  ? -22.548 4.787   -27.240 1.00 19.96 ? 33  ASP B OD2 1 
ATOM   234  N N   . ARG A 1 28  ? -24.762 2.166   -30.910 1.00 13.08 ? 34  ARG B N   1 
ATOM   235  C CA  . ARG A 1 28  ? -25.130 0.728   -30.904 1.00 12.86 ? 34  ARG B CA  1 
ATOM   236  C C   . ARG A 1 28  ? -24.697 0.073   -29.585 1.00 11.15 ? 34  ARG B C   1 
ATOM   237  O O   . ARG A 1 28  ? -24.553 -1.174  -29.588 1.00 12.21 ? 34  ARG B O   1 
ATOM   238  C CB  . ARG A 1 28  ? -24.626 0.038   -32.168 1.00 16.07 ? 34  ARG B CB  1 
ATOM   239  C CG  . ARG A 1 28  ? -25.285 0.650   -33.405 1.00 20.30 ? 34  ARG B CG  1 
ATOM   240  C CD  . ARG A 1 28  ? -25.037 -0.068  -34.680 1.00 26.44 ? 34  ARG B CD  1 
ATOM   241  N NE  . ARG A 1 28  ? -23.620 -0.222  -34.893 1.00 31.80 ? 34  ARG B NE  1 
ATOM   242  C CZ  . ARG A 1 28  ? -22.905 -1.362  -34.790 1.00 44.22 ? 34  ARG B CZ  1 
ATOM   243  N NH1 . ARG A 1 28  ? -23.455 -2.549  -34.501 1.00 39.40 ? 34  ARG B NH1 1 
ATOM   244  N NH2 . ARG A 1 28  ? -21.598 -1.298  -35.012 1.00 50.12 ? 34  ARG B NH2 1 
ATOM   245  N N   . ARG A 1 29  ? -24.657 0.808   -28.519 1.00 10.85 ? 35  ARG B N   1 
ATOM   246  C CA  . ARG A 1 29  ? -24.270 0.265   -27.200 1.00 11.92 ? 35  ARG B CA  1 
ATOM   247  C C   . ARG A 1 29  ? -25.392 0.278   -26.171 1.00 11.90 ? 35  ARG B C   1 
ATOM   248  O O   . ARG A 1 29  ? -25.227 -0.301  -25.078 1.00 13.47 ? 35  ARG B O   1 
ATOM   249  C CB  . ARG A 1 29  ? -23.084 1.041   -26.619 1.00 12.90 ? 35  ARG B CB  1 
ATOM   250  C CG  . ARG A 1 29  ? -21.841 0.985   -27.484 1.00 15.15 ? 35  ARG B CG  1 
ATOM   251  C CD  . ARG A 1 29  ? -20.989 -0.227  -27.262 1.00 16.03 ? 35  ARG B CD  1 
ATOM   252  N NE  . ARG A 1 29  ? -20.228 -0.055  -26.023 1.00 16.80 ? 35  ARG B NE  1 
ATOM   253  C CZ  . ARG A 1 29  ? -19.505 -1.014  -25.427 1.00 16.02 ? 35  ARG B CZ  1 
ATOM   254  N NH1 . ARG A 1 29  ? -19.426 -2.193  -25.983 1.00 15.96 ? 35  ARG B NH1 1 
ATOM   255  N NH2 . ARG A 1 29  ? -18.861 -0.752  -24.312 1.00 17.74 ? 35  ARG B NH2 1 
ATOM   256  N N   . GLN A 1 30  ? -26.537 0.881   -26.470 1.00 11.17 ? 36  GLN B N   1 
ATOM   257  C CA  . GLN A 1 30  ? -27.695 0.916   -25.566 1.00 12.11 ? 36  GLN B CA  1 
ATOM   258  C C   . GLN A 1 30  ? -28.963 0.541   -26.317 1.00 11.23 ? 36  GLN B C   1 
ATOM   259  O O   . GLN A 1 30  ? -29.094 0.833   -27.534 1.00 12.16 ? 36  GLN B O   1 
ATOM   260  C CB  . GLN A 1 30  ? -27.889 2.323   -24.979 1.00 14.05 ? 36  GLN B CB  1 
ATOM   261  C CG  . GLN A 1 30  ? -26.631 2.936   -24.396 1.00 17.08 ? 36  GLN B CG  1 
ATOM   262  C CD  . GLN A 1 30  ? -26.968 4.179   -23.597 1.00 20.23 ? 36  GLN B CD  1 
ATOM   263  O OE1 . GLN A 1 30  ? -28.129 4.437   -23.247 1.00 24.25 ? 36  GLN B OE1 1 
ATOM   264  N NE2 . GLN A 1 30  ? -25.951 4.962   -23.319 1.00 25.25 ? 36  GLN B NE2 1 
ATOM   265  N N   . VAL A 1 31  ? -29.908 -0.048  -25.601 1.00 10.39 ? 37  VAL B N   1 
ATOM   266  C CA  . VAL A 1 31  ? -31.214 -0.427  -26.199 1.00 10.49 ? 37  VAL B CA  1 
ATOM   267  C C   . VAL A 1 31  ? -32.287 -0.271  -25.140 1.00 10.76 ? 37  VAL B C   1 
ATOM   268  O O   . VAL A 1 31  ? -32.093 -0.671  -23.988 1.00 10.30 ? 37  VAL B O   1 
ATOM   269  C CB  . VAL A 1 31  ? -31.158 -1.830  -26.812 1.00 9.73  ? 37  VAL B CB  1 
ATOM   270  C CG1 . VAL A 1 31  ? -30.732 -2.911  -25.802 1.00 10.53 ? 37  VAL B CG1 1 
ATOM   271  C CG2 . VAL A 1 31  ? -32.468 -2.217  -27.465 1.00 10.58 ? 37  VAL B CG2 1 
ATOM   272  N N   . ARG A 1 32  ? -33.436 0.239   -25.550 1.00 10.47 ? 38  ARG B N   1 
ATOM   273  C CA  . ARG A 1 32  ? -34.621 0.287   -24.681 1.00 10.87 ? 38  ARG B CA  1 
ATOM   274  C C   . ARG A 1 32  ? -35.875 -0.019  -25.513 1.00 10.65 ? 38  ARG B C   1 
ATOM   275  O O   . ARG A 1 32  ? -35.872 0.069   -26.732 1.00 10.45 ? 38  ARG B O   1 
ATOM   276  C CB  . ARG A 1 32  ? -34.757 1.640   -23.983 1.00 12.09 ? 38  ARG B CB  1 
ATOM   277  C CG  . ARG A 1 32  ? -35.069 2.774   -24.944 1.00 14.51 ? 38  ARG B CG  1 
ATOM   278  C CD  . ARG A 1 32  ? -35.091 4.100   -24.180 1.00 16.70 ? 38  ARG B CD  1 
ATOM   279  N NE  . ARG A 1 32  ? -35.394 5.217   -25.050 1.00 21.04 ? 38  ARG B NE  1 
ATOM   280  C CZ  . ARG A 1 32  ? -36.595 5.642   -25.377 1.00 18.37 ? 38  ARG B CZ  1 
ATOM   281  N NH1 . ARG A 1 32  ? -37.697 5.055   -24.947 1.00 20.67 ? 38  ARG B NH1 1 
ATOM   282  N NH2 . ARG A 1 32  ? -36.678 6.688   -26.208 1.00 23.07 ? 38  ARG B NH2 1 
ATOM   283  N N   A MET A 1 33  ? -36.928 -0.342  -24.767 0.25 10.38 ? 39  MET B N   1 
ATOM   284  N N   B MET A 1 33  ? -36.945 -0.431  -24.837 0.25 11.58 ? 39  MET B N   1 
ATOM   285  C CA  A MET A 1 33  ? -38.294 -0.598  -25.280 0.25 11.05 ? 39  MET B CA  1 
ATOM   286  C CA  B MET A 1 33  ? -38.221 -0.724  -25.540 0.25 12.89 ? 39  MET B CA  1 
ATOM   287  C C   A MET A 1 33  ? -38.942 0.749   -25.631 0.25 10.97 ? 39  MET B C   1 
ATOM   288  C C   B MET A 1 33  ? -39.037 0.563   -25.630 0.25 12.12 ? 39  MET B C   1 
ATOM   289  O O   A MET A 1 33  ? -38.977 1.651   -24.792 0.25 11.46 ? 39  MET B O   1 
ATOM   290  O O   B MET A 1 33  ? -39.393 1.122   -24.544 0.25 11.54 ? 39  MET B O   1 
ATOM   291  C CB  A MET A 1 33  ? -39.089 -1.360  -24.213 0.25 11.08 ? 39  MET B CB  1 
ATOM   292  C CB  B MET A 1 33  ? -39.080 -1.802  -24.874 0.25 14.92 ? 39  MET B CB  1 
ATOM   293  C CG  A MET A 1 33  ? -40.448 -1.891  -24.679 0.25 12.23 ? 39  MET B CG  1 
ATOM   294  C CG  B MET A 1 33  ? -40.376 -2.058  -25.688 0.25 16.54 ? 39  MET B CG  1 
ATOM   295  S SD  A MET A 1 33  ? -40.348 -2.895  -26.219 0.25 14.25 ? 39  MET B SD  1 
ATOM   296  S SD  B MET A 1 33  ? -41.242 -3.526  -25.107 0.25 19.02 ? 39  MET B SD  1 
ATOM   297  C CE  A MET A 1 33  ? -41.941 -3.713  -26.247 0.25 13.62 ? 39  MET B CE  1 
ATOM   298  C CE  B MET A 1 33  ? -42.615 -3.525  -26.258 0.25 18.71 ? 39  MET B CE  1 
ATOM   299  N N   . GLY A 1 34  ? -39.336 0.930   -26.884 1.00 11.69 ? 40  GLY B N   1 
ATOM   300  C CA  . GLY A 1 34  ? -40.182 2.088   -27.229 1.00 13.39 ? 40  GLY B CA  1 
ATOM   301  C C   . GLY A 1 34  ? -41.633 1.852   -26.868 1.00 14.73 ? 40  GLY B C   1 
ATOM   302  O O   . GLY A 1 34  ? -42.029 0.765   -26.447 1.00 15.29 ? 40  GLY B O   1 
ATOM   303  N N   . ASP A 1 35  ? -42.414 2.946   -26.877 1.00 18.05 ? 41  ASP B N   1 
ATOM   304  C CA  . ASP A 1 35  ? -43.860 2.856   -26.502 1.00 19.70 ? 41  ASP B CA  1 
ATOM   305  C C   . ASP A 1 35  ? -44.687 2.536   -27.768 1.00 19.01 ? 41  ASP B C   1 
ATOM   306  O O   . ASP A 1 35  ? -45.927 2.418   -27.627 1.00 19.85 ? 41  ASP B O   1 
ATOM   307  C CB  . ASP A 1 35  ? -44.341 4.104   -25.719 1.00 23.65 ? 41  ASP B CB  1 
ATOM   308  C CG  . ASP A 1 35  ? -43.878 4.237   -24.251 1.00 31.20 ? 41  ASP B CG  1 
ATOM   309  O OD1 . ASP A 1 35  ? -43.648 3.196   -23.589 1.00 35.34 ? 41  ASP B OD1 1 
ATOM   310  O OD2 . ASP A 1 35  ? -43.802 5.391   -23.736 1.00 34.43 ? 41  ASP B OD2 1 
ATOM   311  N N   . THR A 1 36  ? -44.076 2.279   -28.929 1.00 15.30 ? 42  THR B N   1 
ATOM   312  C CA  . THR A 1 36  ? -44.772 2.011   -30.227 1.00 15.03 ? 42  THR B CA  1 
ATOM   313  C C   . THR A 1 36  ? -43.825 1.315   -31.216 1.00 12.61 ? 42  THR B C   1 
ATOM   314  O O   . THR A 1 36  ? -42.542 1.256   -31.011 1.00 12.65 ? 42  THR B O   1 
ATOM   315  C CB  . THR A 1 36  ? -45.304 3.360   -30.695 1.00 16.37 ? 42  THR B CB  1 
ATOM   316  O OG1 . THR A 1 36  ? -46.202 3.085   -31.744 1.00 17.55 ? 42  THR B OG1 1 
ATOM   317  C CG2 . THR A 1 36  ? -44.199 4.290   -31.134 1.00 18.16 ? 42  THR B CG2 1 
ATOM   318  N N   . HIS A 1 37  ? -44.316 0.848   -32.359 1.00 12.60 ? 43  HIS B N   1 
ATOM   319  C CA  . HIS A 1 37  ? -43.496 0.350   -33.481 1.00 12.27 ? 43  HIS B CA  1 
ATOM   320  C C   . HIS A 1 37  ? -42.544 1.447   -33.937 1.00 13.16 ? 43  HIS B C   1 
ATOM   321  O O   . HIS A 1 37  ? -42.998 2.617   -34.142 1.00 13.33 ? 43  HIS B O   1 
ATOM   322  C CB  . HIS A 1 37  ? -44.437 -0.159  -34.573 1.00 11.94 ? 43  HIS B CB  1 
ATOM   323  C CG  . HIS A 1 37  ? -43.816 -0.816  -35.737 1.00 11.50 ? 43  HIS B CG  1 
ATOM   324  N ND1 . HIS A 1 37  ? -43.034 -0.154  -36.672 1.00 12.03 ? 43  HIS B ND1 1 
ATOM   325  C CD2 . HIS A 1 37  ? -43.932 -2.098  -36.182 1.00 11.50 ? 43  HIS B CD2 1 
ATOM   326  C CE1 . HIS A 1 37  ? -42.692 -0.993  -37.620 1.00 11.99 ? 43  HIS B CE1 1 
ATOM   327  N NE2 . HIS A 1 37  ? -43.228 -2.242  -37.342 1.00 12.43 ? 43  HIS B NE2 1 
ATOM   328  N N   . GLN A 1 38  ? -41.273 1.131   -34.182 1.00 11.97 ? 44  GLN B N   1 
ATOM   329  C CA  . GLN A 1 38  ? -40.239 2.143   -34.465 1.00 11.66 ? 44  GLN B CA  1 
ATOM   330  C C   . GLN A 1 38  ? -40.075 2.411   -35.957 1.00 12.61 ? 44  GLN B C   1 
ATOM   331  O O   . GLN A 1 38  ? -39.057 3.024   -36.341 1.00 13.83 ? 44  GLN B O   1 
ATOM   332  C CB  . GLN A 1 38  ? -38.928 1.748   -33.766 1.00 11.61 ? 44  GLN B CB  1 
ATOM   333  C CG  . GLN A 1 38  ? -39.069 1.820   -32.273 1.00 12.02 ? 44  GLN B CG  1 
ATOM   334  C CD  . GLN A 1 38  ? -39.540 3.147   -31.734 1.00 12.20 ? 44  GLN B CD  1 
ATOM   335  O OE1 . GLN A 1 38  ? -40.485 3.267   -30.927 1.00 16.05 ? 44  GLN B OE1 1 
ATOM   336  N NE2 . GLN A 1 38  ? -38.917 4.205   -32.210 1.00 11.58 ? 44  GLN B NE2 1 
ATOM   337  N N   . ASN A 1 39  ? -41.026 2.004   -36.790 1.00 12.29 ? 45  ASN B N   1 
ATOM   338  C CA  . ASN A 1 39  ? -41.120 2.474   -38.204 1.00 11.63 ? 45  ASN B CA  1 
ATOM   339  C C   . ASN A 1 39  ? -40.018 1.868   -39.056 1.00 12.82 ? 45  ASN B C   1 
ATOM   340  O O   . ASN A 1 39  ? -39.563 2.479   -40.019 1.00 14.20 ? 45  ASN B O   1 
ATOM   341  C CB  . ASN A 1 39  ? -41.145 4.011   -38.348 1.00 12.60 ? 45  ASN B CB  1 
ATOM   342  C CG  . ASN A 1 39  ? -41.821 4.439   -39.633 1.00 12.10 ? 45  ASN B CG  1 
ATOM   343  O OD1 . ASN A 1 39  ? -42.677 3.746   -40.192 1.00 11.41 ? 45  ASN B OD1 1 
ATOM   344  N ND2 . ASN A 1 39  ? -41.378 5.571   -40.196 1.00 11.88 ? 45  ASN B ND2 1 
ATOM   345  N N   . VAL A 1 40  ? -39.645 0.629   -38.783 1.00 14.87 ? 46  VAL B N   1 
ATOM   346  C CA  . VAL A 1 40  ? -38.681 -0.176  -39.582 1.00 15.31 ? 46  VAL B CA  1 
ATOM   347  C C   . VAL A 1 40  ? -39.447 -1.227  -40.407 1.00 14.47 ? 46  VAL B C   1 
ATOM   348  O O   . VAL A 1 40  ? -40.478 -1.668  -39.960 1.00 14.92 ? 46  VAL B O   1 
ATOM   349  C CB  . VAL A 1 40  ? -37.634 -0.851  -38.665 1.00 16.96 ? 46  VAL B CB  1 
ATOM   350  C CG1 . VAL A 1 40  ? -36.735 0.175   -37.986 1.00 19.57 ? 46  VAL B CG1 1 
ATOM   351  C CG2 . VAL A 1 40  ? -38.251 -1.760  -37.615 1.00 17.22 ? 46  VAL B CG2 1 
ATOM   352  N N   . SER A 1 41  ? -38.899 -1.682  -41.524 1.00 16.02 ? 47  SER B N   1 
ATOM   353  C CA  . SER A 1 41  ? -39.450 -2.819  -42.285 1.00 16.69 ? 47  SER B CA  1 
ATOM   354  C C   . SER A 1 41  ? -39.237 -4.126  -41.525 1.00 14.20 ? 47  SER B C   1 
ATOM   355  O O   . SER A 1 41  ? -38.276 -4.231  -40.721 1.00 14.82 ? 47  SER B O   1 
ATOM   356  C CB  . SER A 1 41  ? -38.839 -2.918  -43.674 1.00 18.86 ? 47  SER B CB  1 
ATOM   357  O OG  . SER A 1 41  ? -37.437 -3.064  -43.593 1.00 21.81 ? 47  SER B OG  1 
ATOM   358  N N   . ASP A 1 42  ? -40.062 -5.128  -41.756 1.00 15.29 ? 48  ASP B N   1 
ATOM   359  C CA  . ASP A 1 42  ? -39.917 -6.472  -41.154 1.00 15.52 ? 48  ASP B CA  1 
ATOM   360  C C   . ASP A 1 42  ? -38.889 -7.232  -41.977 1.00 16.89 ? 48  ASP B C   1 
ATOM   361  O O   . ASP A 1 42  ? -38.606 -6.858  -43.145 1.00 17.40 ? 48  ASP B O   1 
ATOM   362  C CB  . ASP A 1 42  ? -41.248 -7.225  -41.033 1.00 16.45 ? 48  ASP B CB  1 
ATOM   363  C CG  . ASP A 1 42  ? -41.315 -8.215  -39.862 1.00 19.17 ? 48  ASP B CG  1 
ATOM   364  O OD1 . ASP A 1 42  ? -40.276 -8.420  -39.181 1.00 16.30 ? 48  ASP B OD1 1 
ATOM   365  O OD2 . ASP A 1 42  ? -42.443 -8.758  -39.532 1.00 21.88 ? 48  ASP B OD2 1 
ATOM   366  N N   . ASN A 1 43  ? -38.315 -8.267  -41.353 1.00 14.76 ? 49  ASN B N   1 
ATOM   367  C CA  . ASN A 1 43  ? -37.356 -9.159  -42.030 1.00 16.14 ? 49  ASN B CA  1 
ATOM   368  C C   . ASN A 1 43  ? -37.316 -10.454 -41.233 1.00 16.87 ? 49  ASN B C   1 
ATOM   369  O O   . ASN A 1 43  ? -37.927 -10.548 -40.147 1.00 16.89 ? 49  ASN B O   1 
ATOM   370  C CB  . ASN A 1 43  ? -36.014 -8.479  -42.215 1.00 15.54 ? 49  ASN B CB  1 
ATOM   371  C CG  . ASN A 1 43  ? -35.258 -8.294  -40.909 1.00 16.77 ? 49  ASN B CG  1 
ATOM   372  O OD1 . ASN A 1 43  ? -35.151 -9.243  -40.123 1.00 16.61 ? 49  ASN B OD1 1 
ATOM   373  N ND2 . ASN A 1 43  ? -34.790 -7.122  -40.612 1.00 15.76 ? 49  ASN B ND2 1 
ATOM   374  N N   . LYS A 1 44  ? -36.700 -11.469 -41.811 1.00 17.55 ? 50  LYS B N   1 
ATOM   375  C CA  . LYS A 1 44  ? -36.703 -12.822 -41.214 1.00 18.86 ? 50  LYS B CA  1 
ATOM   376  C C   . LYS A 1 44  ? -35.783 -12.896 -39.981 1.00 16.73 ? 50  LYS B C   1 
ATOM   377  O O   . LYS A 1 44  ? -35.975 -13.818 -39.212 1.00 17.93 ? 50  LYS B O   1 
ATOM   378  C CB  . LYS A 1 44  ? -36.196 -13.839 -42.247 1.00 22.10 ? 50  LYS B CB  1 
ATOM   379  C CG  . LYS A 1 44  ? -34.736 -13.642 -42.595 1.00 28.95 ? 50  LYS B CG  1 
ATOM   380  C CD  . LYS A 1 44  ? -34.293 -14.148 -43.952 1.00 37.35 ? 50  LYS B CD  1 
ATOM   381  C CE  . LYS A 1 44  ? -32.781 -14.225 -44.026 1.00 40.61 ? 50  LYS B CE  1 
ATOM   382  N NZ  . LYS A 1 44  ? -32.350 -15.148 -45.103 1.00 48.33 ? 50  LYS B NZ  1 
ATOM   383  N N   . GLU A 1 45  ? -34.902 -11.937 -39.789 1.00 15.57 ? 51  GLU B N   1 
ATOM   384  C CA  . GLU A 1 45  ? -33.975 -11.934 -38.610 1.00 15.41 ? 51  GLU B CA  1 
ATOM   385  C C   . GLU A 1 45  ? -34.635 -11.358 -37.351 1.00 14.50 ? 51  GLU B C   1 
ATOM   386  O O   . GLU A 1 45  ? -34.195 -11.705 -36.227 1.00 15.16 ? 51  GLU B O   1 
ATOM   387  C CB  . GLU A 1 45  ? -32.750 -11.104 -38.896 1.00 17.31 ? 51  GLU B CB  1 
ATOM   388  C CG  . GLU A 1 45  ? -31.902 -11.517 -40.100 1.00 22.20 ? 51  GLU B CG  1 
ATOM   389  C CD  . GLU A 1 45  ? -30.723 -10.547 -40.252 1.00 28.39 ? 51  GLU B CD  1 
ATOM   390  O OE1 . GLU A 1 45  ? -30.688 -9.754  -41.240 1.00 35.45 ? 51  GLU B OE1 1 
ATOM   391  O OE2 . GLU A 1 45  ? -29.853 -10.502 -39.357 1.00 32.87 ? 51  GLU B OE2 1 
ATOM   392  N N   . ARG A 1 46  ? -35.650 -10.500 -37.452 1.00 13.15 ? 52  ARG B N   1 
ATOM   393  C CA  . ARG A 1 46  ? -36.148 -9.805  -36.243 1.00 12.36 ? 52  ARG B CA  1 
ATOM   394  C C   . ARG A 1 46  ? -36.858 -10.731 -35.295 1.00 12.52 ? 52  ARG B C   1 
ATOM   395  O O   . ARG A 1 46  ? -37.710 -11.537 -35.664 1.00 12.71 ? 52  ARG B O   1 
ATOM   396  C CB  . ARG A 1 46  ? -37.151 -8.719  -36.638 1.00 11.55 ? 52  ARG B CB  1 
ATOM   397  C CG  . ARG A 1 46  ? -36.577 -7.587  -37.463 1.00 13.07 ? 52  ARG B CG  1 
ATOM   398  C CD  . ARG A 1 46  ? -37.470 -6.306  -37.382 1.00 12.30 ? 52  ARG B CD  1 
ATOM   399  N NE  . ARG A 1 46  ? -36.974 -5.285  -38.267 1.00 13.34 ? 52  ARG B NE  1 
ATOM   400  C CZ  . ARG A 1 46  ? -35.868 -4.592  -38.068 1.00 13.34 ? 52  ARG B CZ  1 
ATOM   401  N NH1 . ARG A 1 46  ? -35.255 -4.641  -36.886 1.00 12.31 ? 52  ARG B NH1 1 
ATOM   402  N NH2 . ARG A 1 46  ? -35.388 -3.768  -38.998 1.00 15.69 ? 52  ARG B NH2 1 
ATOM   403  N N   . PHE A 1 47  ? -36.545 -10.642 -34.021 1.00 10.95 ? 53  PHE B N   1 
ATOM   404  C CA  . PHE A 1 47  ? -37.343 -11.334 -32.996 1.00 11.10 ? 53  PHE B CA  1 
ATOM   405  C C   . PHE A 1 47  ? -38.761 -10.731 -33.002 1.00 12.84 ? 53  PHE B C   1 
ATOM   406  O O   . PHE A 1 47  ? -38.913 -9.532  -32.781 1.00 12.96 ? 53  PHE B O   1 
ATOM   407  C CB  . PHE A 1 47  ? -36.737 -11.236 -31.605 1.00 10.32 ? 53  PHE B CB  1 
ATOM   408  C CG  . PHE A 1 47  ? -35.493 -12.081 -31.448 1.00 10.25 ? 53  PHE B CG  1 
ATOM   409  C CD1 . PHE A 1 47  ? -35.625 -13.450 -31.224 1.00 10.52 ? 53  PHE B CD1 1 
ATOM   410  C CD2 . PHE A 1 47  ? -34.220 -11.538 -31.516 1.00 10.56 ? 53  PHE B CD2 1 
ATOM   411  C CE1 . PHE A 1 47  ? -34.507 -14.266 -31.079 1.00 11.16 ? 53  PHE B CE1 1 
ATOM   412  C CE2 . PHE A 1 47  ? -33.094 -12.364 -31.365 1.00 10.56 ? 53  PHE B CE2 1 
ATOM   413  C CZ  . PHE A 1 47  ? -33.258 -13.725 -31.137 1.00 9.76  ? 53  PHE B CZ  1 
ATOM   414  N N   . SER A 1 48  ? -39.787 -11.534 -33.219 1.00 13.26 ? 54  SER B N   1 
ATOM   415  C CA  . SER A 1 48  ? -41.177 -11.011 -33.411 1.00 14.59 ? 54  SER B CA  1 
ATOM   416  C C   . SER A 1 48  ? -41.928 -10.942 -32.094 1.00 15.04 ? 54  SER B C   1 
ATOM   417  O O   . SER A 1 48  ? -42.737 -9.978  -31.923 1.00 18.13 ? 54  SER B O   1 
ATOM   418  C CB  . SER A 1 48  ? -41.897 -11.875 -34.442 1.00 16.17 ? 54  SER B CB  1 
ATOM   419  O OG  . SER A 1 48  ? -42.053 -13.207 -33.995 1.00 15.13 ? 54  SER B OG  1 
ATOM   420  N N   . ASN A 1 49  ? -41.789 -11.870 -31.181 1.00 13.32 ? 55  ASN B N   1 
ATOM   421  C CA  . ASN A 1 49  ? -42.729 -12.042 -30.042 1.00 15.10 ? 55  ASN B CA  1 
ATOM   422  C C   . ASN A 1 49  ? -42.241 -11.329 -28.788 1.00 13.58 ? 55  ASN B C   1 
ATOM   423  O O   . ASN A 1 49  ? -43.035 -11.135 -27.852 1.00 15.47 ? 55  ASN B O   1 
ATOM   424  C CB  . ASN A 1 49  ? -43.001 -13.495 -29.648 1.00 16.87 ? 55  ASN B CB  1 
ATOM   425  C CG  . ASN A 1 49  ? -43.889 -14.260 -30.619 1.00 19.62 ? 55  ASN B CG  1 
ATOM   426  O OD1 . ASN A 1 49  ? -43.657 -14.201 -31.805 1.00 22.84 ? 55  ASN B OD1 1 
ATOM   427  N ND2 . ASN A 1 49  ? -44.879 -14.981 -30.110 1.00 24.55 ? 55  ASN B ND2 1 
ATOM   428  N N   . TYR A 1 50  ? -40.945 -11.018 -28.681 1.00 12.19 ? 56  TYR B N   1 
ATOM   429  C CA  . TYR A 1 50  ? -40.330 -10.546 -27.419 1.00 11.42 ? 56  TYR B CA  1 
ATOM   430  C C   . TYR A 1 50  ? -39.371 -9.405  -27.752 1.00 10.24 ? 56  TYR B C   1 
ATOM   431  O O   . TYR A 1 50  ? -38.850 -9.312  -28.858 1.00 10.86 ? 56  TYR B O   1 
ATOM   432  C CB  . TYR A 1 50  ? -39.530 -11.672 -26.767 1.00 11.95 ? 56  TYR B CB  1 
ATOM   433  C CG  . TYR A 1 50  ? -40.236 -13.001 -26.684 1.00 13.83 ? 56  TYR B CG  1 
ATOM   434  C CD1 . TYR A 1 50  ? -41.252 -13.191 -25.755 1.00 15.22 ? 56  TYR B CD1 1 
ATOM   435  C CD2 . TYR A 1 50  ? -39.937 -14.063 -27.523 1.00 14.51 ? 56  TYR B CD2 1 
ATOM   436  C CE1 . TYR A 1 50  ? -41.920 -14.404 -25.633 1.00 16.88 ? 56  TYR B CE1 1 
ATOM   437  C CE2 . TYR A 1 50  ? -40.622 -15.267 -27.445 1.00 15.08 ? 56  TYR B CE2 1 
ATOM   438  C CZ  . TYR A 1 50  ? -41.595 -15.446 -26.478 1.00 15.43 ? 56  TYR B CZ  1 
ATOM   439  O OH  . TYR A 1 50  ? -42.214 -16.669 -26.409 1.00 16.66 ? 56  TYR B OH  1 
ATOM   440  N N   . PRO A 1 51  ? -39.059 -8.516  -26.777 1.00 10.13 ? 57  PRO B N   1 
ATOM   441  C CA  . PRO A 1 51  ? -38.192 -7.360  -26.996 1.00 9.82  ? 57  PRO B CA  1 
ATOM   442  C C   . PRO A 1 51  ? -36.676 -7.682  -26.994 1.00 8.71  ? 57  PRO B C   1 
ATOM   443  O O   . PRO A 1 51  ? -35.909 -7.143  -26.212 1.00 9.41  ? 57  PRO B O   1 
ATOM   444  C CB  . PRO A 1 51  ? -38.582 -6.373  -25.855 1.00 11.49 ? 57  PRO B CB  1 
ATOM   445  C CG  . PRO A 1 51  ? -39.803 -6.963  -25.216 1.00 12.64 ? 57  PRO B CG  1 
ATOM   446  C CD  . PRO A 1 51  ? -39.721 -8.428  -25.473 1.00 10.86 ? 57  PRO B CD  1 
ATOM   447  N N   . MET A 1 52  ? -36.301 -8.562  -27.939 1.00 8.96  ? 58  MET B N   1 
ATOM   448  C CA  . MET A 1 52  ? -34.963 -9.183  -28.023 1.00 8.26  ? 58  MET B CA  1 
ATOM   449  C C   . MET A 1 52  ? -34.168 -8.593  -29.169 1.00 8.90  ? 58  MET B C   1 
ATOM   450  O O   . MET A 1 52  ? -34.689 -8.091  -30.197 1.00 9.53  ? 58  MET B O   1 
ATOM   451  C CB  . MET A 1 52  ? -35.094 -10.680 -28.183 1.00 8.87  ? 58  MET B CB  1 
ATOM   452  C CG  . MET A 1 52  ? -35.630 -11.385 -27.000 1.00 9.15  ? 58  MET B CG  1 
ATOM   453  S SD  . MET A 1 52  ? -36.136 -13.071 -27.395 1.00 10.70 ? 58  MET B SD  1 
ATOM   454  C CE  . MET A 1 52  ? -36.765 -13.694 -25.847 1.00 11.55 ? 58  MET B CE  1 
ATOM   455  N N   . VAL A 1 53  ? -32.841 -8.656  -29.012 1.00 8.98  ? 59  VAL B N   1 
ATOM   456  C CA  . VAL A 1 53  ? -31.858 -8.178  -30.014 1.00 9.02  ? 59  VAL B CA  1 
ATOM   457  C C   . VAL A 1 53  ? -30.569 -8.975  -29.820 1.00 9.06  ? 59  VAL B C   1 
ATOM   458  O O   . VAL A 1 53  ? -30.255 -9.379  -28.677 1.00 9.71  ? 59  VAL B O   1 
ATOM   459  C CB  . VAL A 1 53  ? -31.656 -6.655  -29.961 1.00 9.68  ? 59  VAL B CB  1 
ATOM   460  C CG1 . VAL A 1 53  ? -31.136 -6.201  -28.618 1.00 10.01 ? 59  VAL B CG1 1 
ATOM   461  C CG2 . VAL A 1 53  ? -30.783 -6.144  -31.111 1.00 9.96  ? 59  VAL B CG2 1 
ATOM   462  N N   . LEU A 1 54  ? -29.803 -9.147  -30.880 1.00 9.26  ? 60  LEU B N   1 
ATOM   463  C CA  . LEU A 1 54  ? -28.480 -9.805  -30.806 1.00 9.39  ? 60  LEU B CA  1 
ATOM   464  C C   . LEU A 1 54  ? -27.358 -8.805  -30.929 1.00 9.80  ? 60  LEU B C   1 
ATOM   465  O O   . LEU A 1 54  ? -27.488 -7.734  -31.642 1.00 10.87 ? 60  LEU B O   1 
ATOM   466  C CB  . LEU A 1 54  ? -28.309 -10.838 -31.917 1.00 10.35 ? 60  LEU B CB  1 
ATOM   467  C CG  . LEU A 1 54  ? -29.370 -11.919 -31.934 1.00 10.44 ? 60  LEU B CG  1 
ATOM   468  C CD1 . LEU A 1 54  ? -29.099 -12.993 -32.991 1.00 12.59 ? 60  LEU B CD1 1 
ATOM   469  C CD2 . LEU A 1 54  ? -29.538 -12.584 -30.583 1.00 10.60 ? 60  LEU B CD2 1 
ATOM   470  N N   . GLY A 1 55  ? -26.201 -9.131  -30.361 1.00 9.96  ? 61  GLY B N   1 
ATOM   471  C CA  . GLY A 1 55  ? -24.934 -8.456  -30.744 1.00 10.19 ? 61  GLY B CA  1 
ATOM   472  C C   . GLY A 1 55  ? -24.530 -8.774  -32.182 1.00 10.52 ? 61  GLY B C   1 
ATOM   473  O O   . GLY A 1 55  ? -24.858 -9.821  -32.673 1.00 10.80 ? 61  GLY B O   1 
ATOM   474  N N   . ALA A 1 56  ? -23.792 -7.871  -32.809 1.00 11.78 ? 62  ALA B N   1 
ATOM   475  C CA  . ALA A 1 56  ? -23.292 -8.069  -34.184 1.00 12.96 ? 62  ALA B CA  1 
ATOM   476  C C   . ALA A 1 56  ? -22.167 -9.111  -34.220 1.00 13.52 ? 62  ALA B C   1 
ATOM   477  O O   . ALA A 1 56  ? -22.007 -9.806  -35.243 1.00 16.59 ? 62  ALA B O   1 
ATOM   478  C CB  . ALA A 1 56  ? -22.822 -6.742  -34.699 1.00 14.32 ? 62  ALA B CB  1 
ATOM   479  N N   . GLN A 1 57  ? -21.418 -9.227  -33.134 1.00 12.97 ? 63  GLN B N   1 
ATOM   480  C CA  . GLN A 1 57  ? -20.199 -10.078 -33.102 1.00 13.25 ? 63  GLN B CA  1 
ATOM   481  C C   . GLN A 1 57  ? -20.610 -11.554 -33.082 1.00 13.84 ? 63  GLN B C   1 
ATOM   482  O O   . GLN A 1 57  ? -21.633 -11.951 -32.453 1.00 14.39 ? 63  GLN B O   1 
ATOM   483  C CB  . GLN A 1 57  ? -19.358 -9.702  -31.877 1.00 15.40 ? 63  GLN B CB  1 
ATOM   484  C CG  . GLN A 1 57  ? -18.683 -8.347  -31.991 1.00 16.74 ? 63  GLN B CG  1 
ATOM   485  C CD  . GLN A 1 57  ? -19.643 -7.182  -31.856 1.00 15.97 ? 63  GLN B CD  1 
ATOM   486  O OE1 . GLN A 1 57  ? -20.589 -7.245  -31.075 1.00 15.68 ? 63  GLN B OE1 1 
ATOM   487  N NE2 . GLN A 1 57  ? -19.407 -6.101  -32.572 1.00 18.86 ? 63  GLN B NE2 1 
ATOM   488  N N   . ARG A 1 58  ? -19.889 -12.391 -33.829 1.00 14.25 ? 64  ARG B N   1 
ATOM   489  C CA  . ARG A 1 58  ? -20.017 -13.858 -33.829 1.00 14.02 ? 64  ARG B CA  1 
ATOM   490  C C   . ARG A 1 58  ? -18.755 -14.474 -33.252 1.00 12.78 ? 64  ARG B C   1 
ATOM   491  O O   . ARG A 1 58  ? -17.651 -14.037 -33.611 1.00 15.50 ? 64  ARG B O   1 
ATOM   492  C CB  . ARG A 1 58  ? -20.177 -14.414 -35.260 1.00 17.68 ? 64  ARG B CB  1 
ATOM   493  C CG  . ARG A 1 58  ? -21.541 -14.233 -35.932 1.00 26.72 ? 64  ARG B CG  1 
ATOM   494  C CD  . ARG A 1 58  ? -22.134 -12.861 -35.714 1.00 27.77 ? 64  ARG B CD  1 
ATOM   495  N NE  . ARG A 1 58  ? -22.944 -12.076 -36.651 1.00 30.93 ? 64  ARG B NE  1 
ATOM   496  C CZ  . ARG A 1 58  ? -23.662 -12.500 -37.690 1.00 30.13 ? 64  ARG B CZ  1 
ATOM   497  N NH1 . ARG A 1 58  ? -24.330 -11.613 -38.414 1.00 32.90 ? 64  ARG B NH1 1 
ATOM   498  N NH2 . ARG A 1 58  ? -23.694 -13.768 -38.038 1.00 30.24 ? 64  ARG B NH2 1 
ATOM   499  N N   . PHE A 1 59  ? -18.915 -15.412 -32.361 1.00 11.54 ? 65  PHE B N   1 
ATOM   500  C CA  . PHE A 1 59  ? -17.756 -16.095 -31.719 1.00 12.28 ? 65  PHE B CA  1 
ATOM   501  C C   . PHE A 1 59  ? -17.817 -17.591 -31.975 1.00 11.50 ? 65  PHE B C   1 
ATOM   502  O O   . PHE A 1 59  ? -18.827 -18.235 -31.740 1.00 11.44 ? 65  PHE B O   1 
ATOM   503  C CB  . PHE A 1 59  ? -17.794 -15.848 -30.201 1.00 13.31 ? 65  PHE B CB  1 
ATOM   504  C CG  . PHE A 1 59  ? -17.826 -14.373 -29.826 1.00 15.63 ? 65  PHE B CG  1 
ATOM   505  C CD1 . PHE A 1 59  ? -16.815 -13.554 -30.301 1.00 17.67 ? 65  PHE B CD1 1 
ATOM   506  C CD2 . PHE A 1 59  ? -18.806 -13.807 -29.044 1.00 21.90 ? 65  PHE B CD2 1 
ATOM   507  C CE1 . PHE A 1 59  ? -16.760 -12.199 -30.012 1.00 20.14 ? 65  PHE B CE1 1 
ATOM   508  C CE2 . PHE A 1 59  ? -18.740 -12.444 -28.730 1.00 17.93 ? 65  PHE B CE2 1 
ATOM   509  C CZ  . PHE A 1 59  ? -17.757 -11.658 -29.257 1.00 19.07 ? 65  PHE B CZ  1 
ATOM   510  N N   A SER A 1 60  ? -16.703 -18.168 -32.446 0.25 12.09 ? 66  SER B N   1 
ATOM   511  N N   B SER A 1 60  ? -16.708 -18.159 -32.457 0.25 12.04 ? 66  SER B N   1 
ATOM   512  C CA  A SER A 1 60  ? -16.598 -19.618 -32.767 0.25 12.54 ? 66  SER B CA  1 
ATOM   513  C CA  B SER A 1 60  ? -16.568 -19.610 -32.752 0.25 12.45 ? 66  SER B CA  1 
ATOM   514  C C   A SER A 1 60  ? -15.376 -20.263 -32.085 0.25 12.33 ? 66  SER B C   1 
ATOM   515  C C   B SER A 1 60  ? -15.294 -20.171 -32.122 0.25 12.47 ? 66  SER B C   1 
ATOM   516  O O   A SER A 1 60  ? -15.219 -21.497 -32.224 0.25 12.35 ? 66  SER B O   1 
ATOM   517  O O   B SER A 1 60  ? -14.878 -21.257 -32.527 0.25 11.48 ? 66  SER B O   1 
ATOM   518  C CB  A SER A 1 60  ? -16.621 -19.846 -34.271 0.25 12.97 ? 66  SER B CB  1 
ATOM   519  C CB  B SER A 1 60  ? -16.529 -19.859 -34.223 0.25 12.66 ? 66  SER B CB  1 
ATOM   520  O OG  A SER A 1 60  ? -17.958 -19.697 -34.783 0.25 13.90 ? 66  SER B OG  1 
ATOM   521  O OG  B SER A 1 60  ? -15.444 -19.153 -34.772 0.25 13.40 ? 66  SER B OG  1 
ATOM   522  N N   A SER A 1 61  ? -14.589 -19.486 -31.329 0.25 11.81 ? 67  SER B N   1 
ATOM   523  N N   B SER A 1 61  ? -14.662 -19.434 -31.217 0.25 12.74 ? 67  SER B N   1 
ATOM   524  C CA  A SER A 1 61  ? -13.402 -19.962 -30.567 0.25 12.25 ? 67  SER B CA  1 
ATOM   525  C CA  B SER A 1 61  ? -13.394 -19.869 -30.591 0.25 13.97 ? 67  SER B CA  1 
ATOM   526  C C   A SER A 1 61  ? -13.098 -18.980 -29.434 0.25 12.77 ? 67  SER B C   1 
ATOM   527  C C   B SER A 1 61  ? -12.998 -18.888 -29.496 0.25 13.64 ? 67  SER B C   1 
ATOM   528  O O   A SER A 1 61  ? -13.719 -17.919 -29.399 0.25 12.89 ? 67  SER B O   1 
ATOM   529  O O   B SER A 1 61  ? -13.418 -17.711 -29.582 0.25 13.21 ? 67  SER B O   1 
ATOM   530  C CB  A SER A 1 61  ? -12.187 -20.101 -31.474 0.25 12.50 ? 67  SER B CB  1 
ATOM   531  C CB  B SER A 1 61  ? -12.307 -19.959 -31.638 0.25 15.36 ? 67  SER B CB  1 
ATOM   532  O OG  A SER A 1 61  ? -11.748 -18.831 -31.922 0.25 12.86 ? 67  SER B OG  1 
ATOM   533  O OG  B SER A 1 61  ? -11.147 -20.540 -31.081 0.25 18.77 ? 67  SER B OG  1 
ATOM   534  N N   . GLY A 1 62  ? -12.164 -19.334 -28.556 1.00 14.20 ? 68  GLY B N   1 
ATOM   535  C CA  . GLY A 1 62  ? -11.554 -18.380 -27.629 1.00 14.70 ? 68  GLY B CA  1 
ATOM   536  C C   . GLY A 1 62  ? -12.395 -18.076 -26.397 1.00 12.26 ? 68  GLY B C   1 
ATOM   537  O O   . GLY A 1 62  ? -13.402 -18.723 -26.122 1.00 13.50 ? 68  GLY B O   1 
ATOM   538  N N   . LYS A 1 63  ? -11.892 -17.089 -25.697 1.00 12.09 ? 69  LYS B N   1 
ATOM   539  C CA  . LYS A 1 63  ? -12.461 -16.605 -24.437 1.00 12.30 ? 69  LYS B CA  1 
ATOM   540  C C   . LYS A 1 63  ? -12.902 -15.165 -24.687 1.00 12.88 ? 69  LYS B C   1 
ATOM   541  O O   . LYS A 1 63  ? -12.115 -14.340 -25.195 1.00 14.30 ? 69  LYS B O   1 
ATOM   542  C CB  . LYS A 1 63  ? -11.434 -16.723 -23.314 1.00 13.82 ? 69  LYS B CB  1 
ATOM   543  C CG  . LYS A 1 63  ? -11.058 -18.152 -22.943 1.00 14.29 ? 69  LYS B CG  1 
ATOM   544  C CD  . LYS A 1 63  ? -9.907  -18.208 -21.908 1.00 16.84 ? 69  LYS B CD  1 
ATOM   545  C CE  . LYS A 1 63  ? -9.545  -19.618 -21.491 1.00 19.12 ? 69  LYS B CE  1 
ATOM   546  N NZ  . LYS A 1 63  ? -8.510  -19.633 -20.424 1.00 22.41 ? 69  LYS B NZ  1 
ATOM   547  N N   . MET A 1 64  ? -14.106 -14.821 -24.246 1.00 11.83 ? 70  MET B N   1 
ATOM   548  C CA  . MET A 1 64  ? -14.733 -13.492 -24.441 1.00 11.54 ? 70  MET B CA  1 
ATOM   549  C C   . MET A 1 64  ? -15.392 -13.037 -23.145 1.00 11.22 ? 70  MET B C   1 
ATOM   550  O O   . MET A 1 64  ? -15.951 -13.869 -22.433 1.00 11.54 ? 70  MET B O   1 
ATOM   551  C CB  . MET A 1 64  ? -15.840 -13.576 -25.479 1.00 12.00 ? 70  MET B CB  1 
ATOM   552  C CG  . MET A 1 64  ? -15.393 -13.735 -26.914 1.00 12.79 ? 70  MET B CG  1 
ATOM   553  S SD  . MET A 1 64  ? -14.661 -15.309 -27.452 1.00 14.39 ? 70  MET B SD  1 
ATOM   554  C CE  . MET A 1 64  ? -15.889 -16.509 -27.010 1.00 15.23 ? 70  MET B CE  1 
ATOM   555  N N   . TYR A 1 65  ? -15.350 -11.753 -22.846 1.00 11.18 ? 71  TYR B N   1 
ATOM   556  C CA  . TYR A 1 65  ? -15.950 -11.168 -21.623 1.00 11.04 ? 71  TYR B CA  1 
ATOM   557  C C   . TYR A 1 65  ? -16.571 -9.839  -22.014 1.00 11.94 ? 71  TYR B C   1 
ATOM   558  O O   . TYR A 1 65  ? -15.951 -9.015  -22.753 1.00 12.16 ? 71  TYR B O   1 
ATOM   559  C CB  . TYR A 1 65  ? -14.891 -10.984 -20.532 1.00 12.09 ? 71  TYR B CB  1 
ATOM   560  C CG  . TYR A 1 65  ? -15.412 -10.378 -19.259 1.00 11.56 ? 71  TYR B CG  1 
ATOM   561  C CD1 . TYR A 1 65  ? -16.152 -11.131 -18.367 1.00 11.85 ? 71  TYR B CD1 1 
ATOM   562  C CD2 . TYR A 1 65  ? -15.225 -9.026  -18.981 1.00 12.07 ? 71  TYR B CD2 1 
ATOM   563  C CE1 . TYR A 1 65  ? -16.670 -10.582 -17.194 1.00 12.88 ? 71  TYR B CE1 1 
ATOM   564  C CE2 . TYR A 1 65  ? -15.748 -8.465  -17.822 1.00 11.69 ? 71  TYR B CE2 1 
ATOM   565  C CZ  . TYR A 1 65  ? -16.449 -9.236  -16.925 1.00 12.56 ? 71  TYR B CZ  1 
ATOM   566  O OH  . TYR A 1 65  ? -16.977 -8.679  -15.799 1.00 14.14 ? 71  TYR B OH  1 
ATOM   567  N N   . TRP A 1 66  ? -17.768 -9.565  -21.507 1.00 10.42 ? 72  TRP B N   1 
ATOM   568  C CA  . TRP A 1 66  ? -18.372 -8.209  -21.611 1.00 10.53 ? 72  TRP B CA  1 
ATOM   569  C C   . TRP A 1 66  ? -19.265 -7.971  -20.392 1.00 10.26 ? 72  TRP B C   1 
ATOM   570  O O   . TRP A 1 66  ? -19.602 -8.899  -19.656 1.00 10.98 ? 72  TRP B O   1 
ATOM   571  C CB  . TRP A 1 66  ? -19.113 -8.009  -22.964 1.00 10.26 ? 72  TRP B CB  1 
ATOM   572  C CG  . TRP A 1 66  ? -20.275 -8.904  -23.215 1.00 10.06 ? 72  TRP B CG  1 
ATOM   573  C CD1 . TRP A 1 66  ? -21.604 -8.608  -23.028 1.00 10.21 ? 72  TRP B CD1 1 
ATOM   574  C CD2 . TRP A 1 66  ? -20.275 -10.219 -23.764 1.00 10.85 ? 72  TRP B CD2 1 
ATOM   575  N NE1 . TRP A 1 66  ? -22.401 -9.653  -23.406 1.00 10.36 ? 72  TRP B NE1 1 
ATOM   576  C CE2 . TRP A 1 66  ? -21.604 -10.655 -23.875 1.00 10.90 ? 72  TRP B CE2 1 
ATOM   577  C CE3 . TRP A 1 66  ? -19.254 -11.078 -24.198 1.00 11.93 ? 72  TRP B CE3 1 
ATOM   578  C CZ2 . TRP A 1 66  ? -21.953 -11.889 -24.382 1.00 11.23 ? 72  TRP B CZ2 1 
ATOM   579  C CZ3 . TRP A 1 66  ? -19.591 -12.315 -24.704 1.00 14.19 ? 72  TRP B CZ3 1 
ATOM   580  C CH2 . TRP A 1 66  ? -20.922 -12.734 -24.752 1.00 13.21 ? 72  TRP B CH2 1 
ATOM   581  N N   . GLU A 1 67  ? -19.655 -6.711  -20.218 1.00 10.43 ? 73  GLU B N   1 
ATOM   582  C CA  . GLU A 1 67  ? -20.509 -6.253  -19.102 1.00 10.41 ? 73  GLU B CA  1 
ATOM   583  C C   . GLU A 1 67  ? -21.725 -5.474  -19.593 1.00 9.62  ? 73  GLU B C   1 
ATOM   584  O O   . GLU A 1 67  ? -21.632 -4.754  -20.572 1.00 10.67 ? 73  GLU B O   1 
ATOM   585  C CB  . GLU A 1 67  ? -19.714 -5.394  -18.122 1.00 11.94 ? 73  GLU B CB  1 
ATOM   586  C CG  . GLU A 1 67  ? -18.630 -6.205  -17.425 1.00 14.54 ? 73  GLU B CG  1 
ATOM   587  C CD  . GLU A 1 67  ? -17.759 -5.455  -16.440 1.00 16.64 ? 73  GLU B CD  1 
ATOM   588  O OE1 . GLU A 1 67  ? -17.909 -4.197  -16.362 1.00 22.46 ? 73  GLU B OE1 1 
ATOM   589  O OE2 . GLU A 1 67  ? -16.920 -6.120  -15.719 1.00 15.60 ? 73  GLU B OE2 1 
ATOM   590  N N   . VAL A 1 68  ? -22.816 -5.675  -18.883 1.00 10.26 ? 74  VAL B N   1 
ATOM   591  C CA  . VAL A 1 68  ? -24.099 -5.033  -19.199 1.00 10.12 ? 74  VAL B CA  1 
ATOM   592  C C   . VAL A 1 68  ? -24.647 -4.358  -17.949 1.00 9.93  ? 74  VAL B C   1 
ATOM   593  O O   . VAL A 1 68  ? -24.765 -4.994  -16.893 1.00 11.18 ? 74  VAL B O   1 
ATOM   594  C CB  . VAL A 1 68  ? -25.107 -6.043  -19.764 1.00 9.93  ? 74  VAL B CB  1 
ATOM   595  C CG1 . VAL A 1 68  ? -26.349 -5.332  -20.230 1.00 11.20 ? 74  VAL B CG1 1 
ATOM   596  C CG2 . VAL A 1 68  ? -24.498 -6.917  -20.846 1.00 10.84 ? 74  VAL B CG2 1 
ATOM   597  N N   . ASP A 1 69  ? -25.104 -3.110  -18.114 1.00 10.32 ? 75  ASP B N   1 
ATOM   598  C CA  . ASP A 1 69  ? -25.777 -2.320  -17.057 1.00 11.38 ? 75  ASP B CA  1 
ATOM   599  C C   . ASP A 1 69  ? -27.269 -2.591  -17.099 1.00 9.67  ? 75  ASP B C   1 
ATOM   600  O O   . ASP A 1 69  ? -27.875 -2.466  -18.219 1.00 10.57 ? 75  ASP B O   1 
ATOM   601  C CB  . ASP A 1 69  ? -25.503 -0.817  -17.221 1.00 12.51 ? 75  ASP B CB  1 
ATOM   602  C CG  . ASP A 1 69  ? -25.829 -0.019  -15.966 1.00 15.37 ? 75  ASP B CG  1 
ATOM   603  O OD1 . ASP A 1 69  ? -26.951 -0.031  -15.558 1.00 14.66 ? 75  ASP B OD1 1 
ATOM   604  O OD2 . ASP A 1 69  ? -24.892 0.403   -15.264 1.00 18.80 ? 75  ASP B OD2 1 
ATOM   605  N N   . VAL A 1 70  ? -27.846 -3.013  -15.966 1.00 10.20 ? 76  VAL B N   1 
ATOM   606  C CA  . VAL A 1 70  ? -29.293 -3.342  -15.822 1.00 10.77 ? 76  VAL B CA  1 
ATOM   607  C C   . VAL A 1 70  ? -29.971 -2.439  -14.774 1.00 11.38 ? 76  VAL B C   1 
ATOM   608  O O   . VAL A 1 70  ? -31.028 -2.786  -14.265 1.00 12.00 ? 76  VAL B O   1 
ATOM   609  C CB  . VAL A 1 70  ? -29.440 -4.853  -15.472 1.00 10.80 ? 76  VAL B CB  1 
ATOM   610  C CG1 . VAL A 1 70  ? -28.882 -5.780  -16.583 1.00 10.06 ? 76  VAL B CG1 1 
ATOM   611  C CG2 . VAL A 1 70  ? -28.817 -5.245  -14.139 1.00 11.53 ? 76  VAL B CG2 1 
ATOM   612  N N   . THR A 1 71  ? -29.328 -1.335  -14.411 1.00 11.47 ? 77  THR B N   1 
ATOM   613  C CA  . THR A 1 71  ? -29.838 -0.411  -13.377 1.00 12.68 ? 77  THR B CA  1 
ATOM   614  C C   . THR A 1 71  ? -31.329 -0.099  -13.561 1.00 12.49 ? 77  THR B C   1 
ATOM   615  O O   . THR A 1 71  ? -31.756 0.281   -14.657 1.00 12.61 ? 77  THR B O   1 
ATOM   616  C CB  . THR A 1 71  ? -29.039 0.883   -13.378 1.00 13.55 ? 77  THR B CB  1 
ATOM   617  O OG1 . THR A 1 71  ? -27.655 0.624   -13.103 1.00 15.31 ? 77  THR B OG1 1 
ATOM   618  C CG2 . THR A 1 71  ? -29.620 1.859   -12.369 1.00 15.81 ? 77  THR B CG2 1 
ATOM   619  N N   . GLN A 1 72  ? -32.100 -0.256  -12.488 0.74 14.83 ? 78  GLN B N   1 
ATOM   620  C CA  . GLN A 1 72  ? -33.529 0.149   -12.352 0.74 15.96 ? 78  GLN B CA  1 
ATOM   621  C C   . GLN A 1 72  ? -34.458 -0.661  -13.262 0.74 14.86 ? 78  GLN B C   1 
ATOM   622  O O   . GLN A 1 72  ? -35.639 -0.285  -13.420 0.74 16.26 ? 78  GLN B O   1 
ATOM   623  C CB  . GLN A 1 72  ? -33.720 1.635   -12.659 0.74 20.08 ? 78  GLN B CB  1 
ATOM   624  C CG  . GLN A 1 72  ? -34.963 2.255   -12.013 0.74 24.82 ? 78  GLN B CG  1 
ATOM   625  C CD  . GLN A 1 72  ? -34.791 2.510   -10.535 0.74 27.29 ? 78  GLN B CD  1 
ATOM   626  O OE1 . GLN A 1 72  ? -34.333 3.578   -10.131 0.74 31.46 ? 78  GLN B OE1 1 
ATOM   627  N NE2 . GLN A 1 72  ? -35.113 1.533   -9.710  0.74 26.34 ? 78  GLN B NE2 1 
ATOM   628  N N   . LYS A 1 73  ? -33.997 -1.761  -13.845 1.00 12.74 ? 79  LYS B N   1 
ATOM   629  C CA  . LYS A 1 73  ? -34.916 -2.644  -14.581 1.00 11.45 ? 79  LYS B CA  1 
ATOM   630  C C   . LYS A 1 73  ? -35.627 -3.633  -13.666 1.00 10.67 ? 79  LYS B C   1 
ATOM   631  O O   . LYS A 1 73  ? -34.997 -4.173  -12.701 1.00 12.67 ? 79  LYS B O   1 
ATOM   632  C CB  . LYS A 1 73  ? -34.170 -3.338  -15.716 1.00 11.55 ? 79  LYS B CB  1 
ATOM   633  C CG  . LYS A 1 73  ? -33.744 -2.352  -16.818 1.00 12.02 ? 79  LYS B CG  1 
ATOM   634  C CD  . LYS A 1 73  ? -33.248 -2.989  -18.080 1.00 12.12 ? 79  LYS B CD  1 
ATOM   635  C CE  . LYS A 1 73  ? -34.347 -3.687  -18.862 1.00 11.37 ? 79  LYS B CE  1 
ATOM   636  N NZ  . LYS A 1 73  ? -35.548 -2.845  -19.167 1.00 10.46 ? 79  LYS B NZ  1 
ATOM   637  N N   . GLU A 1 74  ? -36.862 -3.946  -13.988 1.00 9.50  ? 80  GLU B N   1 
ATOM   638  C CA  . GLU A 1 74  ? -37.673 -4.957  -13.288 1.00 9.69  ? 80  GLU B CA  1 
ATOM   639  C C   . GLU A 1 74  ? -37.612 -6.321  -13.974 1.00 9.84  ? 80  GLU B C   1 
ATOM   640  O O   . GLU A 1 74  ? -37.968 -7.322  -13.388 1.00 10.38 ? 80  GLU B O   1 
ATOM   641  C CB  . GLU A 1 74  ? -39.149 -4.547  -13.265 1.00 10.72 ? 80  GLU B CB  1 
ATOM   642  C CG  . GLU A 1 74  ? -39.457 -3.298  -12.469 1.00 12.28 ? 80  GLU B CG  1 
ATOM   643  C CD  . GLU A 1 74  ? -40.923 -2.872  -12.582 1.00 12.35 ? 80  GLU B CD  1 
ATOM   644  O OE1 . GLU A 1 74  ? -41.327 -2.067  -11.750 1.00 15.00 ? 80  GLU B OE1 1 
ATOM   645  O OE2 . GLU A 1 74  ? -41.635 -3.386  -13.463 1.00 13.36 ? 80  GLU B OE2 1 
ATOM   646  N N   . ALA A 1 75  ? -37.249 -6.379  -15.246 1.00 9.64  ? 81  ALA B N   1 
ATOM   647  C CA  . ALA A 1 75  ? -37.255 -7.615  -16.028 1.00 9.52  ? 81  ALA B CA  1 
ATOM   648  C C   . ALA A 1 75  ? -36.274 -7.478  -17.182 1.00 10.21 ? 81  ALA B C   1 
ATOM   649  O O   . ALA A 1 75  ? -36.223 -6.421  -17.851 1.00 9.75  ? 81  ALA B O   1 
ATOM   650  C CB  . ALA A 1 75  ? -38.630 -7.913  -16.561 1.00 10.60 ? 81  ALA B CB  1 
ATOM   651  N N   . TRP A 1 76  ? -35.538 -8.563  -17.463 1.00 9.53  ? 82  TRP B N   1 
ATOM   652  C CA  . TRP A 1 76  ? -34.565 -8.642  -18.584 1.00 8.92  ? 82  TRP B CA  1 
ATOM   653  C C   . TRP A 1 76  ? -34.064 -10.066 -18.663 1.00 9.59  ? 82  TRP B C   1 
ATOM   654  O O   . TRP A 1 76  ? -34.159 -10.832 -17.695 1.00 9.81  ? 82  TRP B O   1 
ATOM   655  C CB  . TRP A 1 76  ? -33.399 -7.660  -18.378 1.00 9.58  ? 82  TRP B CB  1 
ATOM   656  C CG  . TRP A 1 76  ? -32.722 -7.697  -17.042 1.00 9.75  ? 82  TRP B CG  1 
ATOM   657  C CD1 . TRP A 1 76  ? -32.917 -6.860  -15.985 1.00 10.59 ? 82  TRP B CD1 1 
ATOM   658  C CD2 . TRP A 1 76  ? -31.765 -8.655  -16.514 1.00 9.95  ? 82  TRP B CD2 1 
ATOM   659  N NE1 . TRP A 1 76  ? -32.150 -7.152  -14.907 1.00 10.04 ? 82  TRP B NE1 1 
ATOM   660  C CE2 . TRP A 1 76  ? -31.444 -8.298  -15.198 1.00 10.26 ? 82  TRP B CE2 1 
ATOM   661  C CE3 . TRP A 1 76  ? -31.113 -9.800  -17.049 1.00 10.35 ? 82  TRP B CE3 1 
ATOM   662  C CZ2 . TRP A 1 76  ? -30.511 -8.963  -14.415 1.00 10.66 ? 82  TRP B CZ2 1 
ATOM   663  C CZ3 . TRP A 1 76  ? -30.215 -10.510 -16.267 1.00 10.89 ? 82  TRP B CZ3 1 
ATOM   664  C CH2 . TRP A 1 76  ? -29.920 -10.079 -14.963 1.00 11.21 ? 82  TRP B CH2 1 
ATOM   665  N N   . ASP A 1 77  ? -33.518 -10.394 -19.817 1.00 8.98  ? 83  ASP B N   1 
ATOM   666  C CA  . ASP A 1 77  ? -32.755 -11.661 -20.035 1.00 9.26  ? 83  ASP B CA  1 
ATOM   667  C C   . ASP A 1 77  ? -31.395 -11.280 -20.615 1.00 9.09  ? 83  ASP B C   1 
ATOM   668  O O   . ASP A 1 77  ? -31.360 -10.384 -21.507 1.00 9.01  ? 83  ASP B O   1 
ATOM   669  C CB  . ASP A 1 77  ? -33.426 -12.634 -20.994 1.00 10.77 ? 83  ASP B CB  1 
ATOM   670  C CG  . ASP A 1 77  ? -34.918 -12.848 -20.877 1.00 12.12 ? 83  ASP B CG  1 
ATOM   671  O OD1 . ASP A 1 77  ? -35.366 -12.838 -19.760 1.00 15.69 ? 83  ASP B OD1 1 
ATOM   672  O OD2 . ASP A 1 77  ? -35.601 -13.046 -21.929 1.00 14.38 ? 83  ASP B OD2 1 
ATOM   673  N N   . LEU A 1 78  ? -30.320 -11.967 -20.247 1.00 8.32  ? 84  LEU B N   1 
ATOM   674  C CA  . LEU A 1 78  ? -28.974 -11.732 -20.799 1.00 8.56  ? 84  LEU B CA  1 
ATOM   675  C C   . LEU A 1 78  ? -28.269 -13.059 -21.002 1.00 8.27  ? 84  LEU B C   1 
ATOM   676  O O   . LEU A 1 78  ? -28.395 -13.959 -20.161 1.00 8.36  ? 84  LEU B O   1 
ATOM   677  C CB  . LEU A 1 78  ? -28.146 -10.882 -19.837 1.00 9.03  ? 84  LEU B CB  1 
ATOM   678  C CG  . LEU A 1 78  ? -28.500 -9.399  -19.710 1.00 10.31 ? 84  LEU B CG  1 
ATOM   679  C CD1 . LEU A 1 78  ? -27.664 -8.779  -18.598 1.00 11.23 ? 84  LEU B CD1 1 
ATOM   680  C CD2 . LEU A 1 78  ? -28.315 -8.708  -21.036 1.00 10.31 ? 84  LEU B CD2 1 
ATOM   681  N N   . GLY A 1 79  ? -27.424 -13.092 -22.010 1.00 7.49  ? 85  GLY B N   1 
ATOM   682  C CA  . GLY A 1 79  ? -26.463 -14.203 -22.147 1.00 8.45  ? 85  GLY B CA  1 
ATOM   683  C C   . GLY A 1 79  ? -25.924 -14.276 -23.555 1.00 7.79  ? 85  GLY B C   1 
ATOM   684  O O   . GLY A 1 79  ? -25.534 -13.257 -24.134 1.00 8.29  ? 85  GLY B O   1 
ATOM   685  N N   A VAL A 1 80  ? -25.849 -15.507 -24.069 0.25 8.06  ? 86  VAL B N   1 
ATOM   686  N N   B VAL A 1 80  ? -25.918 -15.475 -24.112 0.25 8.48  ? 86  VAL B N   1 
ATOM   687  C CA  A VAL A 1 80  ? -25.466 -15.801 -25.477 0.25 7.98  ? 86  VAL B CA  1 
ATOM   688  C CA  B VAL A 1 80  ? -25.317 -15.740 -25.444 0.25 8.67  ? 86  VAL B CA  1 
ATOM   689  C C   A VAL A 1 80  ? -26.459 -16.767 -26.091 0.25 8.40  ? 86  VAL B C   1 
ATOM   690  C C   B VAL A 1 80  ? -26.211 -16.818 -26.078 0.25 8.91  ? 86  VAL B C   1 
ATOM   691  O O   A VAL A 1 80  ? -27.195 -17.496 -25.397 0.25 8.53  ? 86  VAL B O   1 
ATOM   692  O O   B VAL A 1 80  ? -26.774 -17.602 -25.316 0.25 9.21  ? 86  VAL B O   1 
ATOM   693  C CB  A VAL A 1 80  ? -24.063 -16.411 -25.641 0.25 8.11  ? 86  VAL B CB  1 
ATOM   694  C CB  B VAL A 1 80  ? -23.833 -16.133 -25.248 0.25 9.38  ? 86  VAL B CB  1 
ATOM   695  C CG1 A VAL A 1 80  ? -23.029 -15.386 -25.249 0.25 7.91  ? 86  VAL B CG1 1 
ATOM   696  C CG1 B VAL A 1 80  ? -23.696 -17.492 -24.589 0.25 9.41  ? 86  VAL B CG1 1 
ATOM   697  C CG2 A VAL A 1 80  ? -23.884 -17.706 -24.863 0.25 8.05  ? 86  VAL B CG2 1 
ATOM   698  C CG2 B VAL A 1 80  ? -23.020 -16.069 -26.524 0.25 9.76  ? 86  VAL B CG2 1 
ATOM   699  N N   . CYS A 1 81  ? -26.397 -16.821 -27.409 1.00 8.93  ? 87  CYS B N   1 
ATOM   700  C CA  . CYS A 1 81  ? -27.200 -17.808 -28.105 1.00 9.64  ? 87  CYS B CA  1 
ATOM   701  C C   . CYS A 1 81  ? -26.545 -18.229 -29.409 1.00 9.40  ? 87  CYS B C   1 
ATOM   702  O O   . CYS A 1 81  ? -25.678 -17.520 -29.940 1.00 9.21  ? 87  CYS B O   1 
ATOM   703  C CB  . CYS A 1 81  ? -28.611 -17.276 -28.371 1.00 10.87 ? 87  CYS B CB  1 
ATOM   704  S SG  . CYS A 1 81  ? -28.715 -15.867 -29.497 1.00 10.74 ? 87  CYS B SG  1 
ATOM   705  N N   A ARG A 1 82  ? -27.000 -19.348 -29.943 0.25 9.55  ? 88  ARG B N   1 
ATOM   706  N N   B ARG A 1 82  ? -26.967 -19.372 -29.934 0.25 9.10  ? 88  ARG B N   1 
ATOM   707  C CA  A ARG A 1 82  ? -26.578 -19.749 -31.302 0.25 10.08 ? 88  ARG B CA  1 
ATOM   708  C CA  B ARG A 1 82  ? -26.518 -19.837 -31.273 0.25 9.35  ? 88  ARG B CA  1 
ATOM   709  C C   A ARG A 1 82  ? -26.989 -18.687 -32.317 0.25 9.69  ? 88  ARG B C   1 
ATOM   710  C C   B ARG A 1 82  ? -27.033 -18.864 -32.349 0.25 9.52  ? 88  ARG B C   1 
ATOM   711  O O   A ARG A 1 82  ? -28.039 -18.043 -32.205 0.25 9.25  ? 88  ARG B O   1 
ATOM   712  O O   B ARG A 1 82  ? -28.221 -18.439 -32.261 0.25 9.87  ? 88  ARG B O   1 
ATOM   713  C CB  A ARG A 1 82  ? -27.231 -21.065 -31.707 0.25 11.15 ? 88  ARG B CB  1 
ATOM   714  C CB  B ARG A 1 82  ? -27.036 -21.262 -31.515 0.25 9.61  ? 88  ARG B CB  1 
ATOM   715  C CG  A ARG A 1 82  ? -26.834 -22.189 -30.776 0.25 12.33 ? 88  ARG B CG  1 
ATOM   716  C CG  B ARG A 1 82  ? -26.367 -21.993 -32.668 0.25 9.66  ? 88  ARG B CG  1 
ATOM   717  C CD  A ARG A 1 82  ? -27.285 -23.526 -31.292 0.25 13.69 ? 88  ARG B CD  1 
ATOM   718  C CD  B ARG A 1 82  ? -26.957 -23.362 -32.945 0.25 9.93  ? 88  ARG B CD  1 
ATOM   719  N NE  A ARG A 1 82  ? -26.962 -24.561 -30.323 0.25 13.75 ? 88  ARG B NE  1 
ATOM   720  N NE  B ARG A 1 82  ? -26.807 -24.193 -31.778 0.25 9.78  ? 88  ARG B NE  1 
ATOM   721  C CZ  A ARG A 1 82  ? -27.797 -25.512 -29.973 0.25 14.31 ? 88  ARG B CZ  1 
ATOM   722  C CZ  B ARG A 1 82  ? -27.815 -24.749 -31.111 0.25 9.67  ? 88  ARG B CZ  1 
ATOM   723  N NH1 A ARG A 1 82  ? -29.002 -25.541 -30.504 0.25 14.31 ? 88  ARG B NH1 1 
ATOM   724  N NH1 B ARG A 1 82  ? -29.040 -24.673 -31.578 0.25 10.59 ? 88  ARG B NH1 1 
ATOM   725  N NH2 A ARG A 1 82  ? -27.424 -26.421 -29.099 0.25 15.50 ? 88  ARG B NH2 1 
ATOM   726  N NH2 B ARG A 1 82  ? -27.573 -25.425 -30.003 0.25 9.84  ? 88  ARG B NH2 1 
ATOM   727  N N   . ASP A 1 83  ? -26.206 -18.565 -33.367 1.00 10.43 ? 89  ASP B N   1 
ATOM   728  C CA  . ASP A 1 83  ? -26.609 -17.663 -34.461 1.00 11.50 ? 89  ASP B CA  1 
ATOM   729  C C   . ASP A 1 83  ? -27.927 -18.153 -35.055 1.00 12.68 ? 89  ASP B C   1 
ATOM   730  O O   . ASP A 1 83  ? -28.669 -17.293 -35.613 1.00 15.86 ? 89  ASP B O   1 
ATOM   731  C CB  . ASP A 1 83  ? -25.509 -17.592 -35.521 1.00 13.18 ? 89  ASP B CB  1 
ATOM   732  C CG  . ASP A 1 83  ? -25.122 -18.866 -36.217 1.00 15.52 ? 89  ASP B CG  1 
ATOM   733  O OD1 . ASP A 1 83  ? -25.576 -19.965 -35.800 1.00 17.79 ? 89  ASP B OD1 1 
ATOM   734  O OD2 . ASP A 1 83  ? -24.335 -18.726 -37.203 1.00 17.92 ? 89  ASP B OD2 1 
ATOM   735  N N   . SER A 1 84  ? -28.227 -19.438 -35.061 1.00 11.52 ? 90  SER B N   1 
ATOM   736  C CA  . SER A 1 84  ? -29.410 -19.979 -35.766 1.00 13.43 ? 90  SER B CA  1 
ATOM   737  C C   . SER A 1 84  ? -30.647 -20.160 -34.871 1.00 12.20 ? 90  SER B C   1 
ATOM   738  O O   . SER A 1 84  ? -31.544 -20.870 -35.254 1.00 13.14 ? 90  SER B O   1 
ATOM   739  C CB  . SER A 1 84  ? -29.018 -21.261 -36.408 1.00 15.91 ? 90  SER B CB  1 
ATOM   740  O OG  . SER A 1 84  ? -28.575 -22.164 -35.473 1.00 16.06 ? 90  SER B OG  1 
ATOM   741  N N   . VAL A 1 85  ? -30.715 -19.516 -33.704 1.00 11.12 ? 91  VAL B N   1 
ATOM   742  C CA  . VAL A 1 85  ? -31.937 -19.619 -32.876 1.00 11.43 ? 91  VAL B CA  1 
ATOM   743  C C   . VAL A 1 85  ? -33.148 -19.112 -33.667 1.00 11.41 ? 91  VAL B C   1 
ATOM   744  O O   . VAL A 1 85  ? -33.057 -18.203 -34.507 1.00 12.02 ? 91  VAL B O   1 
ATOM   745  C CB  . VAL A 1 85  ? -31.847 -18.859 -31.542 1.00 10.89 ? 91  VAL B CB  1 
ATOM   746  C CG1 . VAL A 1 85  ? -30.842 -19.537 -30.619 1.00 10.77 ? 91  VAL B CG1 1 
ATOM   747  C CG2 . VAL A 1 85  ? -31.602 -17.386 -31.711 1.00 10.99 ? 91  VAL B CG2 1 
ATOM   748  N N   . GLN A 1 86  ? -34.269 -19.732 -33.364 1.00 12.09 ? 92  GLN B N   1 
ATOM   749  C CA  . GLN A 1 86  ? -35.622 -19.303 -33.822 1.00 13.36 ? 92  GLN B CA  1 
ATOM   750  C C   . GLN A 1 86  ? -35.832 -17.814 -33.506 1.00 12.77 ? 92  GLN B C   1 
ATOM   751  O O   . GLN A 1 86  ? -35.523 -17.363 -32.429 1.00 14.18 ? 92  GLN B O   1 
ATOM   752  C CB  . GLN A 1 86  ? -36.634 -20.176 -33.079 1.00 15.48 ? 92  GLN B CB  1 
ATOM   753  C CG  . GLN A 1 86  ? -38.110 -19.881 -33.351 1.00 18.46 ? 92  GLN B CG  1 
ATOM   754  C CD  . GLN A 1 86  ? -39.027 -20.750 -32.498 1.00 21.81 ? 92  GLN B CD  1 
ATOM   755  O OE1 . GLN A 1 86  ? -38.628 -21.749 -31.872 1.00 22.97 ? 92  GLN B OE1 1 
ATOM   756  N NE2 . GLN A 1 86  ? -40.296 -20.369 -32.403 1.00 24.32 ? 92  GLN B NE2 1 
ATOM   757  N N   . ARG A 1 87  ? -36.399 -17.077 -34.456 1.00 12.00 ? 93  ARG B N   1 
ATOM   758  C CA  . ARG A 1 87  ? -36.689 -15.621 -34.316 1.00 11.72 ? 93  ARG B CA  1 
ATOM   759  C C   . ARG A 1 87  ? -38.190 -15.389 -34.189 1.00 12.59 ? 93  ARG B C   1 
ATOM   760  O O   . ARG A 1 87  ? -38.575 -14.401 -33.544 1.00 13.46 ? 93  ARG B O   1 
ATOM   761  C CB  . ARG A 1 87  ? -36.172 -14.813 -35.484 1.00 12.60 ? 93  ARG B CB  1 
ATOM   762  C CG  . ARG A 1 87  ? -34.704 -15.022 -35.831 1.00 12.33 ? 93  ARG B CG  1 
ATOM   763  C CD  . ARG A 1 87  ? -33.781 -14.761 -34.618 1.00 12.50 ? 93  ARG B CD  1 
ATOM   764  N NE  . ARG A 1 87  ? -32.418 -15.240 -34.936 1.00 13.44 ? 93  ARG B NE  1 
ATOM   765  C CZ  . ARG A 1 87  ? -31.528 -14.548 -35.598 1.00 12.62 ? 93  ARG B CZ  1 
ATOM   766  N NH1 . ARG A 1 87  ? -31.786 -13.319 -35.975 1.00 15.11 ? 93  ARG B NH1 1 
ATOM   767  N NH2 . ARG A 1 87  ? -30.353 -15.073 -35.894 1.00 15.18 ? 93  ARG B NH2 1 
ATOM   768  N N   . LYS A 1 88  ? -39.037 -16.228 -34.786 1.00 12.41 ? 94  LYS B N   1 
ATOM   769  C CA  . LYS A 1 88  ? -40.499 -15.962 -34.908 1.00 13.03 ? 94  LYS B CA  1 
ATOM   770  C C   . LYS A 1 88  ? -41.304 -16.878 -34.019 1.00 14.71 ? 94  LYS B C   1 
ATOM   771  O O   . LYS A 1 88  ? -40.925 -18.071 -33.885 1.00 17.16 ? 94  LYS B O   1 
ATOM   772  C CB  . LYS A 1 88  ? -40.935 -16.145 -36.359 1.00 13.61 ? 94  LYS B CB  1 
ATOM   773  C CG  . LYS A 1 88  ? -40.121 -15.397 -37.371 1.00 15.30 ? 94  LYS B CG  1 
ATOM   774  C CD  . LYS A 1 88  ? -40.110 -13.883 -37.111 1.00 15.44 ? 94  LYS B CD  1 
ATOM   775  C CE  . LYS A 1 88  ? -39.367 -13.187 -38.203 1.00 16.43 ? 94  LYS B CE  1 
ATOM   776  N NZ  . LYS A 1 88  ? -39.265 -11.720 -38.025 1.00 17.30 ? 94  LYS B NZ  1 
ATOM   777  N N   . GLY A 1 89  ? -42.373 -16.381 -33.419 1.00 15.33 ? 95  GLY B N   1 
ATOM   778  C CA  . GLY A 1 89  ? -43.264 -17.194 -32.589 1.00 15.20 ? 95  GLY B CA  1 
ATOM   779  C C   . GLY A 1 89  ? -42.763 -17.356 -31.175 1.00 17.30 ? 95  GLY B C   1 
ATOM   780  O O   . GLY A 1 89  ? -41.770 -16.627 -30.762 1.00 17.45 ? 95  GLY B O   1 
ATOM   781  N N   . GLN A 1 90  ? -43.408 -18.248 -30.445 1.00 17.63 ? 96  GLN B N   1 
ATOM   782  C CA  . GLN A 1 90  ? -43.152 -18.485 -29.021 1.00 19.91 ? 96  GLN B CA  1 
ATOM   783  C C   . GLN A 1 90  ? -42.084 -19.550 -28.864 1.00 18.56 ? 96  GLN B C   1 
ATOM   784  O O   . GLN A 1 90  ? -41.986 -20.463 -29.693 1.00 19.74 ? 96  GLN B O   1 
ATOM   785  C CB  . GLN A 1 90  ? -44.442 -18.933 -28.332 1.00 22.30 ? 96  GLN B CB  1 
ATOM   786  C CG  . GLN A 1 90  ? -45.469 -17.827 -28.369 1.00 30.46 ? 96  GLN B CG  1 
ATOM   787  C CD  . GLN A 1 90  ? -46.849 -18.299 -28.009 1.00 38.61 ? 96  GLN B CD  1 
ATOM   788  O OE1 . GLN A 1 90  ? -47.278 -18.157 -26.866 1.00 49.15 ? 96  GLN B OE1 1 
ATOM   789  N NE2 . GLN A 1 90  ? -47.543 -18.863 -28.990 1.00 42.48 ? 96  GLN B NE2 1 
ATOM   790  N N   . PHE A 1 91  ? -41.214 -19.343 -27.886 1.00 15.78 ? 97  PHE B N   1 
ATOM   791  C CA  . PHE A 1 91  ? -40.181 -20.329 -27.512 1.00 15.76 ? 97  PHE B CA  1 
ATOM   792  C C   . PHE A 1 91  ? -39.679 -20.055 -26.107 1.00 15.21 ? 97  PHE B C   1 
ATOM   793  O O   . PHE A 1 91  ? -39.827 -18.966 -25.583 1.00 16.66 ? 97  PHE B O   1 
ATOM   794  C CB  . PHE A 1 91  ? -38.986 -20.297 -28.475 1.00 15.33 ? 97  PHE B CB  1 
ATOM   795  C CG  . PHE A 1 91  ? -38.364 -18.930 -28.641 1.00 15.03 ? 97  PHE B CG  1 
ATOM   796  C CD1 . PHE A 1 91  ? -37.364 -18.514 -27.762 1.00 15.25 ? 97  PHE B CD1 1 
ATOM   797  C CD2 . PHE A 1 91  ? -38.729 -18.075 -29.682 1.00 15.10 ? 97  PHE B CD2 1 
ATOM   798  C CE1 . PHE A 1 91  ? -36.765 -17.276 -27.921 1.00 14.79 ? 97  PHE B CE1 1 
ATOM   799  C CE2 . PHE A 1 91  ? -38.126 -16.833 -29.841 1.00 14.24 ? 97  PHE B CE2 1 
ATOM   800  C CZ  . PHE A 1 91  ? -37.140 -16.451 -28.950 1.00 14.61 ? 97  PHE B CZ  1 
ATOM   801  N N   A SER A 1 92  ? -39.119 -21.076 -25.463 0.25 15.28 ? 98  SER B N   1 
ATOM   802  N N   B SER A 1 92  ? -39.097 -21.096 -25.517 0.25 14.53 ? 98  SER B N   1 
ATOM   803  C CA  A SER A 1 92  ? -38.485 -20.926 -24.128 0.25 15.68 ? 98  SER B CA  1 
ATOM   804  C CA  B SER A 1 92  ? -38.434 -21.062 -24.191 0.25 14.64 ? 98  SER B CA  1 
ATOM   805  C C   A SER A 1 92  ? -36.972 -20.784 -24.300 0.25 14.12 ? 98  SER B C   1 
ATOM   806  C C   B SER A 1 92  ? -36.950 -20.723 -24.377 0.25 13.41 ? 98  SER B C   1 
ATOM   807  O O   A SER A 1 92  ? -36.378 -21.407 -25.198 0.25 13.51 ? 98  SER B O   1 
ATOM   808  O O   B SER A 1 92  ? -36.350 -21.115 -25.417 0.25 12.99 ? 98  SER B O   1 
ATOM   809  C CB  A SER A 1 92  ? -38.804 -22.056 -23.200 0.25 18.16 ? 98  SER B CB  1 
ATOM   810  C CB  B SER A 1 92  ? -38.615 -22.371 -23.468 0.25 15.80 ? 98  SER B CB  1 
ATOM   811  O OG  A SER A 1 92  ? -38.402 -23.284 -23.772 0.25 21.02 ? 98  SER B OG  1 
ATOM   812  O OG  B SER A 1 92  ? -39.972 -22.531 -23.061 0.25 17.60 ? 98  SER B OG  1 
ATOM   813  N N   . LEU A 1 93  ? -36.379 -20.011 -23.406 1.00 12.84 ? 99  LEU B N   1 
ATOM   814  C CA  . LEU A 1 93  ? -34.927 -19.844 -23.343 1.00 12.71 ? 99  LEU B CA  1 
ATOM   815  C C   . LEU A 1 93  ? -34.330 -21.038 -22.644 1.00 12.89 ? 99  LEU B C   1 
ATOM   816  O O   . LEU A 1 93  ? -34.413 -21.184 -21.426 1.00 15.58 ? 99  LEU B O   1 
ATOM   817  C CB  . LEU A 1 93  ? -34.569 -18.573 -22.587 1.00 12.94 ? 99  LEU B CB  1 
ATOM   818  C CG  . LEU A 1 93  ? -35.045 -17.278 -23.223 1.00 14.52 ? 99  LEU B CG  1 
ATOM   819  C CD1 . LEU A 1 93  ? -34.708 -16.082 -22.329 1.00 15.37 ? 99  LEU B CD1 1 
ATOM   820  C CD2 . LEU A 1 93  ? -34.482 -17.067 -24.615 1.00 15.65 ? 99  LEU B CD2 1 
ATOM   821  N N   . SER A 1 94  ? -33.640 -21.902 -23.388 1.00 11.61 ? 100 SER B N   1 
ATOM   822  C CA  . SER A 1 94  ? -33.053 -23.144 -22.855 1.00 11.85 ? 100 SER B CA  1 
ATOM   823  C C   . SER A 1 94  ? -31.848 -23.512 -23.703 1.00 10.75 ? 100 SER B C   1 
ATOM   824  O O   . SER A 1 94  ? -31.836 -23.189 -24.890 1.00 10.65 ? 100 SER B O   1 
ATOM   825  C CB  . SER A 1 94  ? -34.011 -24.318 -22.850 1.00 13.35 ? 100 SER B CB  1 
ATOM   826  O OG  . SER A 1 94  ? -34.375 -24.665 -24.168 1.00 16.80 ? 100 SER B OG  1 
ATOM   827  N N   . PRO A 1 95  ? -30.914 -24.291 -23.178 1.00 10.77 ? 101 PRO B N   1 
ATOM   828  C CA  . PRO A 1 95  ? -29.817 -24.791 -24.011 1.00 11.99 ? 101 PRO B CA  1 
ATOM   829  C C   . PRO A 1 95  ? -30.326 -25.675 -25.156 1.00 11.95 ? 101 PRO B C   1 
ATOM   830  O O   . PRO A 1 95  ? -29.759 -25.559 -26.265 1.00 12.09 ? 101 PRO B O   1 
ATOM   831  C CB  . PRO A 1 95  ? -28.915 -25.568 -23.026 1.00 12.18 ? 101 PRO B CB  1 
ATOM   832  C CG  . PRO A 1 95  ? -29.201 -24.862 -21.696 1.00 13.13 ? 101 PRO B CG  1 
ATOM   833  C CD  . PRO A 1 95  ? -30.682 -24.552 -21.754 1.00 12.63 ? 101 PRO B CD  1 
ATOM   834  N N   . GLU A 1 96  ? -31.409 -26.416 -24.959 1.00 12.70 ? 102 GLU B N   1 
ATOM   835  C CA  . GLU A 1 96  ? -31.977 -27.247 -26.053 1.00 14.84 ? 102 GLU B CA  1 
ATOM   836  C C   . GLU A 1 96  ? -32.382 -26.352 -27.224 1.00 13.77 ? 102 GLU B C   1 
ATOM   837  O O   . GLU A 1 96  ? -32.360 -26.796 -28.399 1.00 15.38 ? 102 GLU B O   1 
ATOM   838  C CB  . GLU A 1 96  ? -33.142 -28.067 -25.520 1.00 18.90 ? 102 GLU B CB  1 
ATOM   839  C CG  . GLU A 1 96  ? -32.786 -28.923 -24.324 1.00 27.41 ? 102 GLU B CG  1 
ATOM   840  C CD  . GLU A 1 96  ? -33.162 -28.365 -22.951 1.00 32.48 ? 102 GLU B CD  1 
ATOM   841  O OE1 . GLU A 1 96  ? -32.378 -27.526 -22.349 1.00 22.04 ? 102 GLU B OE1 1 
ATOM   842  O OE2 . GLU A 1 96  ? -34.241 -28.822 -22.445 1.00 39.84 ? 102 GLU B OE2 1 
ATOM   843  N N   . ASN A 1 97  ? -32.840 -25.122 -26.967 1.00 12.06 ? 103 ASN B N   1 
ATOM   844  C CA  . ASN A 1 97  ? -33.243 -24.180 -28.034 1.00 12.06 ? 103 ASN B CA  1 
ATOM   845  C C   . ASN A 1 97  ? -32.088 -23.261 -28.437 1.00 11.04 ? 103 ASN B C   1 
ATOM   846  O O   . ASN A 1 97  ? -32.291 -22.404 -29.299 1.00 12.22 ? 103 ASN B O   1 
ATOM   847  C CB  . ASN A 1 97  ? -34.471 -23.355 -27.620 1.00 13.57 ? 103 ASN B CB  1 
ATOM   848  C CG  . ASN A 1 97  ? -35.755 -24.133 -27.604 1.00 15.21 ? 103 ASN B CG  1 
ATOM   849  O OD1 . ASN A 1 97  ? -35.851 -25.215 -28.210 1.00 18.15 ? 103 ASN B OD1 1 
ATOM   850  N ND2 . ASN A 1 97  ? -36.698 -23.686 -26.779 1.00 16.79 ? 103 ASN B ND2 1 
ATOM   851  N N   . GLY A 1 98  ? -30.873 -23.441 -27.937 1.00 9.98  ? 104 GLY B N   1 
ATOM   852  C CA  . GLY A 1 98  ? -29.723 -22.648 -28.369 1.00 9.50  ? 104 GLY B CA  1 
ATOM   853  C C   . GLY A 1 98  ? -29.451 -21.385 -27.552 1.00 8.51  ? 104 GLY B C   1 
ATOM   854  O O   . GLY A 1 98  ? -28.803 -20.494 -28.064 1.00 9.47  ? 104 GLY B O   1 
ATOM   855  N N   . PHE A 1 99  ? -29.919 -21.337 -26.277 1.00 9.32  ? 105 PHE B N   1 
ATOM   856  C CA  . PHE A 1 99  ? -29.710 -20.151 -25.405 1.00 8.98  ? 105 PHE B CA  1 
ATOM   857  C C   . PHE A 1 99  ? -29.024 -20.521 -24.096 1.00 8.55  ? 105 PHE B C   1 
ATOM   858  O O   . PHE A 1 99  ? -29.464 -21.513 -23.466 1.00 9.82  ? 105 PHE B O   1 
ATOM   859  C CB  . PHE A 1 99  ? -31.052 -19.495 -25.052 1.00 9.49  ? 105 PHE B CB  1 
ATOM   860  C CG  . PHE A 1 99  ? -31.840 -19.000 -26.249 1.00 8.99  ? 105 PHE B CG  1 
ATOM   861  C CD1 . PHE A 1 99  ? -32.758 -19.805 -26.908 1.00 9.66  ? 105 PHE B CD1 1 
ATOM   862  C CD2 . PHE A 1 99  ? -31.719 -17.697 -26.702 1.00 9.27  ? 105 PHE B CD2 1 
ATOM   863  C CE1 . PHE A 1 99  ? -33.506 -19.333 -27.985 1.00 10.52 ? 105 PHE B CE1 1 
ATOM   864  C CE2 . PHE A 1 99  ? -32.457 -17.240 -27.772 1.00 10.40 ? 105 PHE B CE2 1 
ATOM   865  C CZ  . PHE A 1 99  ? -33.335 -18.057 -28.397 1.00 10.11 ? 105 PHE B CZ  1 
ATOM   866  N N   . TRP A 1 100 ? -28.079 -19.699 -23.670 1.00 8.06  ? 106 TRP B N   1 
ATOM   867  C CA  . TRP A 1 100 ? -27.395 -19.791 -22.363 1.00 8.40  ? 106 TRP B CA  1 
ATOM   868  C C   . TRP A 1 100 ? -27.553 -18.446 -21.680 1.00 7.72  ? 106 TRP B C   1 
ATOM   869  O O   . TRP A 1 100 ? -26.820 -17.503 -22.000 1.00 8.92  ? 106 TRP B O   1 
ATOM   870  C CB  . TRP A 1 100 ? -25.935 -20.243 -22.506 1.00 8.69  ? 106 TRP B CB  1 
ATOM   871  C CG  . TRP A 1 100 ? -25.840 -21.611 -23.132 1.00 8.66  ? 106 TRP B CG  1 
ATOM   872  C CD1 . TRP A 1 100 ? -25.765 -22.814 -22.491 1.00 9.65  ? 106 TRP B CD1 1 
ATOM   873  C CD2 . TRP A 1 100 ? -25.873 -21.937 -24.549 1.00 9.22  ? 106 TRP B CD2 1 
ATOM   874  N NE1 . TRP A 1 100 ? -25.787 -23.857 -23.411 1.00 9.87  ? 106 TRP B NE1 1 
ATOM   875  C CE2 . TRP A 1 100 ? -25.855 -23.342 -24.670 1.00 9.91  ? 106 TRP B CE2 1 
ATOM   876  C CE3 . TRP A 1 100 ? -25.929 -21.159 -25.708 1.00 9.47  ? 106 TRP B CE3 1 
ATOM   877  C CZ2 . TRP A 1 100 ? -25.912 -23.973 -25.928 1.00 10.65 ? 106 TRP B CZ2 1 
ATOM   878  C CZ3 . TRP A 1 100 ? -25.964 -21.797 -26.943 1.00 10.95 ? 106 TRP B CZ3 1 
ATOM   879  C CH2 . TRP A 1 100 ? -26.009 -23.167 -27.034 1.00 11.14 ? 106 TRP B CH2 1 
ATOM   880  N N   . THR A 1 101 ? -28.554 -18.345 -20.788 1.00 8.24  ? 107 THR B N   1 
ATOM   881  C CA  . THR A 1 101 ? -29.057 -17.030 -20.314 1.00 8.19  ? 107 THR B CA  1 
ATOM   882  C C   . THR A 1 101 ? -29.403 -17.112 -18.821 1.00 7.89  ? 107 THR B C   1 
ATOM   883  O O   . THR A 1 101 ? -29.677 -18.189 -18.279 1.00 8.42  ? 107 THR B O   1 
ATOM   884  C CB  . THR A 1 101 ? -30.309 -16.602 -21.079 1.00 9.09  ? 107 THR B CB  1 
ATOM   885  O OG1 . THR A 1 101 ? -31.383 -17.499 -20.866 1.00 9.81  ? 107 THR B OG1 1 
ATOM   886  C CG2 . THR A 1 101 ? -30.015 -16.378 -22.554 1.00 9.11  ? 107 THR B CG2 1 
ATOM   887  N N   . ILE A 1 102 ? -29.449 -15.939 -18.221 1.00 8.60  ? 108 ILE B N   1 
ATOM   888  C CA  . ILE A 1 102 ? -30.088 -15.707 -16.880 1.00 8.57  ? 108 ILE B CA  1 
ATOM   889  C C   . ILE A 1 102 ? -31.095 -14.582 -17.070 1.00 8.51  ? 108 ILE B C   1 
ATOM   890  O O   . ILE A 1 102 ? -31.023 -13.796 -18.056 1.00 8.91  ? 108 ILE B O   1 
ATOM   891  C CB  . ILE A 1 102 ? -29.066 -15.411 -15.760 1.00 8.62  ? 108 ILE B CB  1 
ATOM   892  C CG1 . ILE A 1 102 ? -28.375 -14.060 -15.948 1.00 9.48  ? 108 ILE B CG1 1 
ATOM   893  C CG2 . ILE A 1 102 ? -28.068 -16.562 -15.673 1.00 9.42  ? 108 ILE B CG2 1 
ATOM   894  C CD1 . ILE A 1 102 ? -27.546 -13.584 -14.769 1.00 10.38 ? 108 ILE B CD1 1 
ATOM   895  N N   . TRP A 1 103 ? -31.949 -14.418 -16.075 1.00 8.51  ? 109 TRP B N   1 
ATOM   896  C CA  . TRP A 1 103 ? -32.968 -13.351 -16.142 1.00 9.11  ? 109 TRP B CA  1 
ATOM   897  C C   . TRP A 1 103 ? -33.370 -12.894 -14.765 1.00 9.41  ? 109 TRP B C   1 
ATOM   898  O O   . TRP A 1 103 ? -33.188 -13.585 -13.733 1.00 9.77  ? 109 TRP B O   1 
ATOM   899  C CB  . TRP A 1 103 ? -34.172 -13.765 -16.940 1.00 11.54 ? 109 TRP B CB  1 
ATOM   900  C CG  . TRP A 1 103 ? -34.953 -14.892 -16.401 1.00 12.95 ? 109 TRP B CG  1 
ATOM   901  C CD1 . TRP A 1 103 ? -35.793 -14.905 -15.328 1.00 13.05 ? 109 TRP B CD1 1 
ATOM   902  C CD2 . TRP A 1 103 ? -35.076 -16.150 -17.042 1.00 13.94 ? 109 TRP B CD2 1 
ATOM   903  N NE1 . TRP A 1 103 ? -36.455 -16.094 -15.289 1.00 16.19 ? 109 TRP B NE1 1 
ATOM   904  C CE2 . TRP A 1 103 ? -36.030 -16.891 -16.318 1.00 13.74 ? 109 TRP B CE2 1 
ATOM   905  C CE3 . TRP A 1 103 ? -34.489 -16.701 -18.172 1.00 14.84 ? 109 TRP B CE3 1 
ATOM   906  C CZ2 . TRP A 1 103 ? -36.382 -18.197 -16.670 1.00 17.36 ? 109 TRP B CZ2 1 
ATOM   907  C CZ3 . TRP A 1 103 ? -34.870 -17.964 -18.541 1.00 16.98 ? 109 TRP B CZ3 1 
ATOM   908  C CH2 . TRP A 1 103 ? -35.800 -18.686 -17.815 1.00 16.45 ? 109 TRP B CH2 1 
ATOM   909  N N   . LEU A 1 104 ? -33.975 -11.697 -14.757 1.00 9.39  ? 110 LEU B N   1 
ATOM   910  C CA  . LEU A 1 104 ? -34.747 -11.145 -13.623 1.00 9.58  ? 110 LEU B CA  1 
ATOM   911  C C   . LEU A 1 104 ? -36.200 -11.120 -14.043 1.00 9.50  ? 110 LEU B C   1 
ATOM   912  O O   . LEU A 1 104 ? -36.516 -10.623 -15.136 1.00 9.72  ? 110 LEU B O   1 
ATOM   913  C CB  . LEU A 1 104 ? -34.282 -9.739  -13.323 1.00 10.26 ? 110 LEU B CB  1 
ATOM   914  C CG  . LEU A 1 104 ? -35.116 -8.969  -12.292 1.00 10.43 ? 110 LEU B CG  1 
ATOM   915  C CD1 . LEU A 1 104 ? -35.157 -9.651  -10.923 1.00 11.16 ? 110 LEU B CD1 1 
ATOM   916  C CD2 . LEU A 1 104 ? -34.637 -7.550  -12.180 1.00 12.61 ? 110 LEU B CD2 1 
ATOM   917  N N   . TRP A 1 105 ? -37.085 -11.560 -13.142 1.00 10.65 ? 111 TRP B N   1 
ATOM   918  C CA  . TRP A 1 105 ? -38.537 -11.587 -13.384 1.00 11.50 ? 111 TRP B CA  1 
ATOM   919  C C   . TRP A 1 105 ? -39.234 -11.605 -12.031 1.00 12.69 ? 111 TRP B C   1 
ATOM   920  O O   . TRP A 1 105 ? -38.933 -12.492 -11.206 1.00 13.01 ? 111 TRP B O   1 
ATOM   921  C CB  . TRP A 1 105 ? -38.926 -12.814 -14.188 1.00 14.71 ? 111 TRP B CB  1 
ATOM   922  C CG  . TRP A 1 105 ? -40.382 -13.020 -14.306 1.00 17.20 ? 111 TRP B CG  1 
ATOM   923  C CD1 . TRP A 1 105 ? -41.163 -14.027 -13.796 1.00 18.06 ? 111 TRP B CD1 1 
ATOM   924  C CD2 . TRP A 1 105 ? -41.229 -12.204 -15.111 1.00 16.67 ? 111 TRP B CD2 1 
ATOM   925  N NE1 . TRP A 1 105 ? -42.445 -13.848 -14.210 1.00 18.74 ? 111 TRP B NE1 1 
ATOM   926  C CE2 . TRP A 1 105 ? -42.522 -12.744 -15.007 1.00 16.09 ? 111 TRP B CE2 1 
ATOM   927  C CE3 . TRP A 1 105 ? -41.038 -11.064 -15.894 1.00 16.90 ? 111 TRP B CE3 1 
ATOM   928  C CZ2 . TRP A 1 105 ? -43.622 -12.188 -15.644 1.00 20.44 ? 111 TRP B CZ2 1 
ATOM   929  C CZ3 . TRP A 1 105 ? -42.139 -10.489 -16.502 1.00 21.39 ? 111 TRP B CZ3 1 
ATOM   930  C CH2 . TRP A 1 105 ? -43.413 -11.035 -16.372 1.00 20.34 ? 111 TRP B CH2 1 
ATOM   931  N N   . GLN A 1 106 ? -40.121 -10.625 -11.765 1.00 11.82 ? 112 GLN B N   1 
ATOM   932  C CA  . GLN A 1 106 ? -40.953 -10.644 -10.517 1.00 12.29 ? 112 GLN B CA  1 
ATOM   933  C C   . GLN A 1 106 ? -40.063 -10.840 -9.309  1.00 13.69 ? 112 GLN B C   1 
ATOM   934  O O   . GLN A 1 106 ? -40.412 -11.700 -8.424  1.00 15.09 ? 112 GLN B O   1 
ATOM   935  C CB  . GLN A 1 106 ? -42.056 -11.676 -10.632 1.00 13.58 ? 112 GLN B CB  1 
ATOM   936  C CG  . GLN A 1 106 ? -42.964 -11.349 -11.796 1.00 14.75 ? 112 GLN B CG  1 
ATOM   937  C CD  . GLN A 1 106 ? -44.224 -12.173 -11.875 1.00 15.88 ? 112 GLN B CD  1 
ATOM   938  O OE1 . GLN A 1 106 ? -45.152 -11.829 -12.624 1.00 19.60 ? 112 GLN B OE1 1 
ATOM   939  N NE2 . GLN A 1 106 ? -44.296 -13.242 -11.096 1.00 15.71 ? 112 GLN B NE2 1 
ATOM   940  N N   . ASP A 1 107 ? -39.039 -10.039 -9.195  1.00 14.43 ? 113 ASP B N   1 
ATOM   941  C CA  . ASP A 1 107 ? -38.202 -9.917  -7.995  1.00 19.36 ? 113 ASP B CA  1 
ATOM   942  C C   . ASP A 1 107 ? -37.375 -11.183 -7.733  1.00 19.28 ? 113 ASP B C   1 
ATOM   943  O O   . ASP A 1 107 ? -36.718 -11.199 -6.639  1.00 25.81 ? 113 ASP B O   1 
ATOM   944  C CB  . ASP A 1 107 ? -39.093 -9.666  -6.764  1.00 23.97 ? 113 ASP B CB  1 
ATOM   945  C CG  . ASP A 1 107 ? -38.498 -8.740  -5.735  1.00 34.64 ? 113 ASP B CG  1 
ATOM   946  O OD1 . ASP A 1 107 ? -37.477 -8.086  -6.025  1.00 40.16 ? 113 ASP B OD1 1 
ATOM   947  O OD2 . ASP A 1 107 ? -39.083 -8.674  -4.624  1.00 52.42 ? 113 ASP B OD2 1 
ATOM   948  N N   . SER A 1 108 ? -37.287 -12.126 -8.669  1.00 15.21 ? 114 SER B N   1 
ATOM   949  C CA  . SER A 1 108 ? -36.349 -13.275 -8.533  1.00 17.71 ? 114 SER B CA  1 
ATOM   950  C C   . SER A 1 108 ? -35.466 -13.408 -9.772  1.00 14.25 ? 114 SER B C   1 
ATOM   951  O O   . SER A 1 108 ? -35.864 -13.072 -10.936 1.00 13.75 ? 114 SER B O   1 
ATOM   952  C CB  . SER A 1 108 ? -37.103 -14.501 -8.143  1.00 21.51 ? 114 SER B CB  1 
ATOM   953  O OG  . SER A 1 108 ? -37.780 -15.045 -9.229  1.00 28.99 ? 114 SER B OG  1 
ATOM   954  N N   . TYR A 1 109 ? -34.285 -13.930 -9.538  1.00 11.69 ? 115 TYR B N   1 
ATOM   955  C CA  . TYR A 1 109 ? -33.284 -14.236 -10.585 1.00 10.85 ? 115 TYR B CA  1 
ATOM   956  C C   . TYR A 1 109 ? -33.261 -15.724 -10.847 1.00 10.52 ? 115 TYR B C   1 
ATOM   957  O O   . TYR A 1 109 ? -33.256 -16.525 -9.900  1.00 11.10 ? 115 TYR B O   1 
ATOM   958  C CB  . TYR A 1 109 ? -31.926 -13.711 -10.162 1.00 10.99 ? 115 TYR B CB  1 
ATOM   959  C CG  . TYR A 1 109 ? -31.866 -12.205 -9.923  1.00 11.56 ? 115 TYR B CG  1 
ATOM   960  C CD1 . TYR A 1 109 ? -32.149 -11.659 -8.675  1.00 12.20 ? 115 TYR B CD1 1 
ATOM   961  C CD2 . TYR A 1 109 ? -31.503 -11.342 -10.939 1.00 10.99 ? 115 TYR B CD2 1 
ATOM   962  C CE1 . TYR A 1 109 ? -32.042 -10.290 -8.449  1.00 12.49 ? 115 TYR B CE1 1 
ATOM   963  C CE2 . TYR A 1 109 ? -31.427 -9.971  -10.740 1.00 11.48 ? 115 TYR B CE2 1 
ATOM   964  C CZ  . TYR A 1 109 ? -31.686 -9.451  -9.483  1.00 11.62 ? 115 TYR B CZ  1 
ATOM   965  O OH  . TYR A 1 109 ? -31.669 -8.094  -9.213  1.00 13.36 ? 115 TYR B OH  1 
ATOM   966  N N   A GLU A 1 110 ? -33.235 -16.115 -12.123 0.25 10.09 ? 116 GLU B N   1 
ATOM   967  N N   B GLU A 1 110 ? -33.274 -16.102 -12.129 0.25 10.40 ? 116 GLU B N   1 
ATOM   968  C CA  A GLU A 1 110 ? -33.243 -17.548 -12.521 0.25 10.12 ? 116 GLU B CA  1 
ATOM   969  C CA  B GLU A 1 110 ? -33.259 -17.520 -12.576 0.25 10.61 ? 116 GLU B CA  1 
ATOM   970  C C   A GLU A 1 110 ? -32.327 -17.777 -13.724 0.25 8.94  ? 116 GLU B C   1 
ATOM   971  C C   B GLU A 1 110 ? -32.193 -17.714 -13.662 0.25 9.03  ? 116 GLU B C   1 
ATOM   972  O O   A GLU A 1 110 ? -32.263 -16.923 -14.595 0.25 8.96  ? 116 GLU B O   1 
ATOM   973  O O   B GLU A 1 110 ? -31.820 -16.735 -14.357 0.25 8.41  ? 116 GLU B O   1 
ATOM   974  C CB  A GLU A 1 110 ? -34.657 -18.006 -12.849 0.25 11.10 ? 116 GLU B CB  1 
ATOM   975  C CB  B GLU A 1 110 ? -34.634 -17.942 -13.090 0.25 12.24 ? 116 GLU B CB  1 
ATOM   976  C CG  A GLU A 1 110 ? -35.636 -17.843 -11.694 0.25 12.60 ? 116 GLU B CG  1 
ATOM   977  C CG  B GLU A 1 110 ? -35.750 -17.810 -12.058 0.25 14.83 ? 116 GLU B CG  1 
ATOM   978  C CD  A GLU A 1 110 ? -37.038 -18.277 -12.074 0.25 13.46 ? 116 GLU B CD  1 
ATOM   979  C CD  B GLU A 1 110 ? -35.914 -18.995 -11.119 0.25 15.93 ? 116 GLU B CD  1 
ATOM   980  O OE1 A GLU A 1 110 ? -37.473 -17.953 -13.190 0.25 16.08 ? 116 GLU B OE1 1 
ATOM   981  O OE1 B GLU A 1 110 ? -35.426 -20.092 -11.444 0.25 20.12 ? 116 GLU B OE1 1 
ATOM   982  O OE2 A GLU A 1 110 ? -37.695 -18.952 -11.250 0.25 14.24 ? 116 GLU B OE2 1 
ATOM   983  O OE2 B GLU A 1 110 ? -36.595 -18.831 -10.091 0.25 20.76 ? 116 GLU B OE2 1 
ATOM   984  N N   . ALA A 1 111 ? -31.697 -18.951 -13.773 1.00 9.11  ? 117 ALA B N   1 
ATOM   985  C CA  . ALA A 1 111 ? -30.935 -19.385 -14.952 1.00 9.52  ? 117 ALA B CA  1 
ATOM   986  C C   . ALA A 1 111 ? -31.881 -20.108 -15.897 1.00 9.78  ? 117 ALA B C   1 
ATOM   987  O O   . ALA A 1 111 ? -32.738 -20.908 -15.477 1.00 9.82  ? 117 ALA B O   1 
ATOM   988  C CB  . ALA A 1 111 ? -29.765 -20.276 -14.576 1.00 9.67  ? 117 ALA B CB  1 
ATOM   989  N N   . GLY A 1 112 ? -31.718 -19.853 -17.202 1.00 9.84  ? 118 GLY B N   1 
ATOM   990  C CA  . GLY A 1 112 ? -32.530 -20.433 -18.269 1.00 10.71 ? 118 GLY B CA  1 
ATOM   991  C C   . GLY A 1 112 ? -32.148 -21.846 -18.597 1.00 11.20 ? 118 GLY B C   1 
ATOM   992  O O   . GLY A 1 112 ? -31.827 -22.202 -19.714 1.00 13.66 ? 118 GLY B O   1 
ATOM   993  N N   . THR A 1 113 ? -32.129 -22.747 -17.631 1.00 13.24 ? 119 THR B N   1 
ATOM   994  C CA  . THR A 1 113 ? -32.130 -24.205 -17.834 1.00 14.26 ? 119 THR B CA  1 
ATOM   995  C C   . THR A 1 113 ? -33.557 -24.678 -18.087 1.00 15.00 ? 119 THR B C   1 
ATOM   996  O O   . THR A 1 113 ? -34.475 -23.882 -17.905 1.00 16.94 ? 119 THR B O   1 
ATOM   997  C CB  . THR A 1 113 ? -31.515 -24.830 -16.600 1.00 12.13 ? 119 THR B CB  1 
ATOM   998  O OG1 . THR A 1 113 ? -32.227 -24.376 -15.427 1.00 12.39 ? 119 THR B OG1 1 
ATOM   999  C CG2 . THR A 1 113 ? -30.072 -24.498 -16.414 1.00 13.29 ? 119 THR B CG2 1 
ATOM   1000 N N   . SER A 1 114 ? -33.743 -25.959 -18.416 1.00 18.36 ? 120 SER B N   1 
ATOM   1001 C CA  . SER A 1 114 ? -35.101 -26.523 -18.567 1.00 21.35 ? 120 SER B CA  1 
ATOM   1002 C C   . SER A 1 114 ? -35.257 -27.716 -17.623 1.00 22.17 ? 120 SER B C   1 
ATOM   1003 O O   . SER A 1 114 ? -34.589 -28.739 -17.783 1.00 24.94 ? 120 SER B O   1 
ATOM   1004 C CB  . SER A 1 114 ? -35.396 -26.873 -20.017 1.00 26.42 ? 120 SER B CB  1 
ATOM   1005 O OG  . SER A 1 114 ? -36.736 -27.343 -20.143 1.00 29.34 ? 120 SER B OG  1 
ATOM   1006 N N   . PRO A 1 115 ? -36.032 -27.576 -16.532 1.00 19.59 ? 121 PRO B N   1 
ATOM   1007 C CA  . PRO A 1 115 ? -36.708 -26.344 -16.139 1.00 19.64 ? 121 PRO B CA  1 
ATOM   1008 C C   . PRO A 1 115 ? -35.726 -25.320 -15.524 1.00 16.42 ? 121 PRO B C   1 
ATOM   1009 O O   . PRO A 1 115 ? -34.583 -25.640 -15.246 1.00 15.17 ? 121 PRO B O   1 
ATOM   1010 C CB  . PRO A 1 115 ? -37.732 -26.805 -15.100 1.00 22.73 ? 121 PRO B CB  1 
ATOM   1011 C CG  . PRO A 1 115 ? -37.078 -27.997 -14.466 1.00 22.87 ? 121 PRO B CG  1 
ATOM   1012 C CD  . PRO A 1 115 ? -36.230 -28.656 -15.544 1.00 22.04 ? 121 PRO B CD  1 
ATOM   1013 N N   . GLN A 1 116 ? -36.191 -24.098 -15.311 1.00 15.61 ? 122 GLN B N   1 
ATOM   1014 C CA  . GLN A 1 116 ? -35.332 -22.981 -14.843 1.00 14.08 ? 122 GLN B CA  1 
ATOM   1015 C C   . GLN A 1 116 ? -34.793 -23.248 -13.429 1.00 12.25 ? 122 GLN B C   1 
ATOM   1016 O O   . GLN A 1 116 ? -35.442 -23.984 -12.659 1.00 13.51 ? 122 GLN B O   1 
ATOM   1017 C CB  . GLN A 1 116 ? -36.043 -21.627 -14.951 1.00 18.12 ? 122 GLN B CB  1 
ATOM   1018 C CG  . GLN A 1 116 ? -37.181 -21.396 -13.980 1.00 25.34 ? 122 GLN B CG  1 
ATOM   1019 C CD  . GLN A 1 116 ? -38.534 -21.794 -14.516 1.00 34.99 ? 122 GLN B CD  1 
ATOM   1020 O OE1 . GLN A 1 116 ? -38.664 -22.589 -15.451 1.00 41.53 ? 122 GLN B OE1 1 
ATOM   1021 N NE2 . GLN A 1 116 ? -39.570 -21.258 -13.888 1.00 41.91 ? 122 GLN B NE2 1 
ATOM   1022 N N   . THR A 1 117 ? -33.671 -22.652 -13.127 1.00 10.83 ? 123 THR B N   1 
ATOM   1023 C CA  . THR A 1 117 ? -32.951 -22.844 -11.854 1.00 10.50 ? 123 THR B CA  1 
ATOM   1024 C C   . THR A 1 117 ? -32.963 -21.550 -11.059 1.00 10.59 ? 123 THR B C   1 
ATOM   1025 O O   . THR A 1 117 ? -32.516 -20.519 -11.562 1.00 11.59 ? 123 THR B O   1 
ATOM   1026 C CB  . THR A 1 117 ? -31.518 -23.323 -12.108 1.00 10.31 ? 123 THR B CB  1 
ATOM   1027 O OG1 . THR A 1 117 ? -31.560 -24.542 -12.839 1.00 11.46 ? 123 THR B OG1 1 
ATOM   1028 C CG2 . THR A 1 117 ? -30.761 -23.505 -10.813 1.00 10.91 ? 123 THR B CG2 1 
ATOM   1029 N N   . THR A 1 118 ? -33.339 -21.622 -9.796  1.00 11.06 ? 124 THR B N   1 
ATOM   1030 C CA  . THR A 1 118 ? -33.295 -20.473 -8.876  1.00 11.89 ? 124 THR B CA  1 
ATOM   1031 C C   . THR A 1 118 ? -31.865 -19.999 -8.645  1.00 11.61 ? 124 THR B C   1 
ATOM   1032 O O   . THR A 1 118 ? -30.957 -20.861 -8.376  1.00 13.53 ? 124 THR B O   1 
ATOM   1033 C CB  . THR A 1 118 ? -33.955 -20.926 -7.560  1.00 14.55 ? 124 THR B CB  1 
ATOM   1034 O OG1 . THR A 1 118 ? -35.316 -21.221 -7.826  1.00 17.04 ? 124 THR B OG1 1 
ATOM   1035 C CG2 . THR A 1 118 ? -33.792 -19.886 -6.476  1.00 17.08 ? 124 THR B CG2 1 
ATOM   1036 N N   . LEU A 1 119 ? -31.585 -18.714 -8.736  1.00 10.77 ? 125 LEU B N   1 
ATOM   1037 C CA  . LEU A 1 119 ? -30.292 -18.118 -8.414  1.00 10.27 ? 125 LEU B CA  1 
ATOM   1038 C C   . LEU A 1 119 ? -30.390 -17.505 -7.012  1.00 11.96 ? 125 LEU B C   1 
ATOM   1039 O O   . LEU A 1 119 ? -31.504 -17.225 -6.508  1.00 15.16 ? 125 LEU B O   1 
ATOM   1040 C CB  . LEU A 1 119 ? -29.880 -17.048 -9.433  1.00 10.17 ? 125 LEU B CB  1 
ATOM   1041 C CG  . LEU A 1 119 ? -29.805 -17.560 -10.872 1.00 9.56  ? 125 LEU B CG  1 
ATOM   1042 C CD1 . LEU A 1 119 ? -29.542 -16.435 -11.874 1.00 10.44 ? 125 LEU B CD1 1 
ATOM   1043 C CD2 . LEU A 1 119 ? -28.746 -18.651 -11.010 1.00 11.09 ? 125 LEU B CD2 1 
ATOM   1044 N N   . HIS A 1 120 ? -29.267 -17.403 -6.344  1.00 11.63 ? 126 HIS B N   1 
ATOM   1045 C CA  . HIS A 1 120 ? -29.134 -16.933 -4.936  1.00 12.07 ? 126 HIS B CA  1 
ATOM   1046 C C   . HIS A 1 120 ? -28.286 -15.676 -4.965  1.00 13.83 ? 126 HIS B C   1 
ATOM   1047 O O   . HIS A 1 120 ? -27.038 -15.743 -5.018  1.00 18.15 ? 126 HIS B O   1 
ATOM   1048 C CB  . HIS A 1 120 ? -28.489 -18.047 -4.083  1.00 13.19 ? 126 HIS B CB  1 
ATOM   1049 C CG  . HIS A 1 120 ? -29.269 -19.308 -4.048  1.00 13.63 ? 126 HIS B CG  1 
ATOM   1050 N ND1 . HIS A 1 120 ? -28.975 -20.377 -4.881  1.00 15.54 ? 126 HIS B ND1 1 
ATOM   1051 C CD2 . HIS A 1 120 ? -30.333 -19.668 -3.338  1.00 15.40 ? 126 HIS B CD2 1 
ATOM   1052 C CE1 . HIS A 1 120 ? -29.854 -21.339 -4.651  1.00 16.43 ? 126 HIS B CE1 1 
ATOM   1053 N NE2 . HIS A 1 120 ? -30.682 -20.957 -3.693  1.00 15.52 ? 126 HIS B NE2 1 
ATOM   1054 N N   . ILE A 1 121 ? -28.911 -14.530 -5.019  1.00 16.22 ? 127 ILE B N   1 
ATOM   1055 C CA  . ILE A 1 121 ? -28.217 -13.218 -5.134  1.00 18.57 ? 127 ILE B CA  1 
ATOM   1056 C C   . ILE A 1 121 ? -28.635 -12.362 -3.906  1.00 18.67 ? 127 ILE B C   1 
ATOM   1057 O O   . ILE A 1 121 ? -29.812 -12.132 -3.705  1.00 24.96 ? 127 ILE B O   1 
ATOM   1058 C CB  . ILE A 1 121 ? -28.584 -12.560 -6.481  1.00 19.58 ? 127 ILE B CB  1 
ATOM   1059 C CG1 . ILE A 1 121 ? -28.134 -13.423 -7.680  1.00 17.96 ? 127 ILE B CG1 1 
ATOM   1060 C CG2 . ILE A 1 121 ? -28.050 -11.131 -6.510  1.00 23.59 ? 127 ILE B CG2 1 
ATOM   1061 C CD1 . ILE A 1 121 ? -28.362 -12.820 -9.058  1.00 18.13 ? 127 ILE B CD1 1 
ATOM   1062 N N   . GLN A 1 122 ? -27.672 -12.017 -3.077  1.00 21.98 ? 128 GLN B N   1 
ATOM   1063 C CA  . GLN A 1 122 ? -27.906 -11.218 -1.838  1.00 23.63 ? 128 GLN B CA  1 
ATOM   1064 C C   . GLN A 1 122 ? -27.877 -9.732  -2.200  1.00 21.38 ? 128 GLN B C   1 
ATOM   1065 O O   . GLN A 1 122 ? -28.675 -8.958  -1.610  1.00 22.54 ? 128 GLN B O   1 
ATOM   1066 C CB  . GLN A 1 122 ? -26.818 -11.547 -0.809  1.00 26.65 ? 128 GLN B CB  1 
ATOM   1067 C CG  . GLN A 1 122 ? -26.915 -10.745 0.493   1.00 33.76 ? 128 GLN B CG  1 
ATOM   1068 C CD  . GLN A 1 122 ? -28.221 -10.924 1.242   1.00 39.46 ? 128 GLN B CD  1 
ATOM   1069 O OE1 . GLN A 1 122 ? -28.879 -11.963 1.164   1.00 47.59 ? 128 GLN B OE1 1 
ATOM   1070 N NE2 . GLN A 1 122 ? -28.616 -9.900  1.988   1.00 42.01 ? 128 GLN B NE2 1 
ATOM   1071 N N   . VAL A 1 123 ? -27.070 -9.348  -3.184  1.00 18.32 ? 129 VAL B N   1 
ATOM   1072 C CA  . VAL A 1 123 ? -26.873 -7.919  -3.598  1.00 16.64 ? 129 VAL B CA  1 
ATOM   1073 C C   . VAL A 1 123 ? -27.421 -7.735  -5.010  1.00 16.77 ? 129 VAL B C   1 
ATOM   1074 O O   . VAL A 1 123 ? -26.768 -8.201  -5.960  1.00 15.37 ? 129 VAL B O   1 
ATOM   1075 C CB  . VAL A 1 123 ? -25.397 -7.526  -3.549  1.00 18.11 ? 129 VAL B CB  1 
ATOM   1076 C CG1 . VAL A 1 123 ? -25.170 -6.089  -4.042  1.00 19.88 ? 129 VAL B CG1 1 
ATOM   1077 C CG2 . VAL A 1 123 ? -24.842 -7.691  -2.138  1.00 20.17 ? 129 VAL B CG2 1 
ATOM   1078 N N   . PRO A 1 124 ? -28.648 -7.202  -5.214  1.00 15.48 ? 130 PRO B N   1 
ATOM   1079 C CA  . PRO A 1 124 ? -29.213 -7.095  -6.560  1.00 16.49 ? 130 PRO B CA  1 
ATOM   1080 C C   . PRO A 1 124 ? -28.229 -6.397  -7.470  1.00 14.82 ? 130 PRO B C   1 
ATOM   1081 O O   . PRO A 1 124 ? -27.693 -5.340  -7.185  1.00 15.60 ? 130 PRO B O   1 
ATOM   1082 C CB  . PRO A 1 124 ? -30.484 -6.257  -6.330  1.00 18.46 ? 130 PRO B CB  1 
ATOM   1083 C CG  . PRO A 1 124 ? -30.888 -6.643  -4.912  1.00 18.93 ? 130 PRO B CG  1 
ATOM   1084 C CD  . PRO A 1 124 ? -29.590 -6.719  -4.172  1.00 18.08 ? 130 PRO B CD  1 
ATOM   1085 N N   . PRO A 1 125 ? -27.837 -7.015  -8.603  1.00 13.39 ? 131 PRO B N   1 
ATOM   1086 C CA  . PRO A 1 125 ? -26.838 -6.428  -9.470  1.00 12.87 ? 131 PRO B CA  1 
ATOM   1087 C C   . PRO A 1 125 ? -27.337 -5.212  -10.254 1.00 12.74 ? 131 PRO B C   1 
ATOM   1088 O O   . PRO A 1 125 ? -28.442 -5.250  -10.768 1.00 13.55 ? 131 PRO B O   1 
ATOM   1089 C CB  . PRO A 1 125 ? -26.425 -7.590  -10.402 1.00 13.41 ? 131 PRO B CB  1 
ATOM   1090 C CG  . PRO A 1 125 ? -27.572 -8.528  -10.365 1.00 15.56 ? 131 PRO B CG  1 
ATOM   1091 C CD  . PRO A 1 125 ? -28.168 -8.407  -8.987  1.00 13.99 ? 131 PRO B CD  1 
ATOM   1092 N N   . CYS A 1 126 ? -26.471 -4.217  -10.385 1.00 12.76 ? 132 CYS B N   1 
ATOM   1093 C CA  . CYS A 1 126 ? -26.666 -3.106  -11.350 1.00 12.51 ? 132 CYS B CA  1 
ATOM   1094 C C   . CYS A 1 126 ? -25.876 -3.344  -12.634 1.00 12.34 ? 132 CYS B C   1 
ATOM   1095 O O   . CYS A 1 126 ? -26.182 -2.749  -13.664 1.00 11.84 ? 132 CYS B O   1 
ATOM   1096 C CB  . CYS A 1 126 ? -26.271 -1.775  -10.743 1.00 15.81 ? 132 CYS B CB  1 
ATOM   1097 S SG  . CYS A 1 126 ? -27.292 -1.314  -9.313  1.00 22.56 ? 132 CYS B SG  1 
ATOM   1098 N N   A GLN A 1 127 ? -24.786 -4.128  -12.583 0.25 12.28 ? 133 GLN B N   1 
ATOM   1099 N N   B GLN A 1 127 ? -24.926 -4.277  -12.557 0.25 12.64 ? 133 GLN B N   1 
ATOM   1100 C CA  A GLN A 1 127 ? -24.052 -4.557  -13.809 0.25 12.59 ? 133 GLN B CA  1 
ATOM   1101 C CA  B GLN A 1 127 ? -24.022 -4.607  -13.678 0.25 13.58 ? 133 GLN B CA  1 
ATOM   1102 C C   A GLN A 1 127 ? -23.672 -6.035  -13.680 0.25 11.71 ? 133 GLN B C   1 
ATOM   1103 C C   B GLN A 1 127 ? -23.774 -6.116  -13.634 0.25 12.25 ? 133 GLN B C   1 
ATOM   1104 O O   A GLN A 1 127 ? -23.246 -6.468  -12.579 0.25 10.69 ? 133 GLN B O   1 
ATOM   1105 O O   B GLN A 1 127 ? -23.661 -6.694  -12.531 0.25 10.94 ? 133 GLN B O   1 
ATOM   1106 C CB  A GLN A 1 127 ? -22.765 -3.776  -14.106 0.25 13.80 ? 133 GLN B CB  1 
ATOM   1107 C CB  B GLN A 1 127 ? -22.752 -3.764  -13.584 0.25 15.94 ? 133 GLN B CB  1 
ATOM   1108 C CG  A GLN A 1 127 ? -22.928 -2.273  -14.297 0.25 15.10 ? 133 GLN B CG  1 
ATOM   1109 C CG  B GLN A 1 127 ? -22.996 -2.273  -13.762 0.25 17.69 ? 133 GLN B CG  1 
ATOM   1110 C CD  A GLN A 1 127 ? -22.825 -1.526  -12.989 0.25 16.91 ? 133 GLN B CD  1 
ATOM   1111 C CD  B GLN A 1 127 ? -21.762 -1.496  -14.144 0.25 19.85 ? 133 GLN B CD  1 
ATOM   1112 O OE1 A GLN A 1 127 ? -22.082 -1.917  -12.096 0.25 18.00 ? 133 GLN B OE1 1 
ATOM   1113 O OE1 B GLN A 1 127 ? -20.649 -2.012  -14.159 0.25 23.65 ? 133 GLN B OE1 1 
ATOM   1114 N NE2 A GLN A 1 127 ? -23.585 -0.447  -12.860 0.25 17.42 ? 133 GLN B NE2 1 
ATOM   1115 N NE2 B GLN A 1 127 ? -21.954 -0.226  -14.440 0.25 21.98 ? 133 GLN B NE2 1 
ATOM   1116 N N   . ILE A 1 128 ? -23.820 -6.739  -14.811 1.00 11.20 ? 134 ILE B N   1 
ATOM   1117 C CA  . ILE A 1 128 ? -23.631 -8.206  -14.986 1.00 11.01 ? 134 ILE B CA  1 
ATOM   1118 C C   . ILE A 1 128 ? -22.405 -8.367  -15.897 1.00 11.38 ? 134 ILE B C   1 
ATOM   1119 O O   . ILE A 1 128 ? -22.353 -7.766  -16.989 1.00 10.95 ? 134 ILE B O   1 
ATOM   1120 C CB  . ILE A 1 128 ? -24.881 -8.846  -15.607 1.00 11.23 ? 134 ILE B CB  1 
ATOM   1121 C CG1 . ILE A 1 128 ? -26.180 -8.637  -14.803 1.00 14.17 ? 134 ILE B CG1 1 
ATOM   1122 C CG2 . ILE A 1 128 ? -24.632 -10.333 -15.883 1.00 11.76 ? 134 ILE B CG2 1 
ATOM   1123 C CD1 . ILE A 1 128 ? -26.202 -9.401  -13.544 1.00 13.62 ? 134 ILE B CD1 1 
ATOM   1124 N N   . GLY A 1 129 ? -21.468 -9.237  -15.503 1.00 10.97 ? 135 GLY B N   1 
ATOM   1125 C CA  . GLY A 1 129 ? -20.381 -9.697  -16.375 1.00 10.32 ? 135 GLY B CA  1 
ATOM   1126 C C   . GLY A 1 129 ? -20.676 -11.059 -16.964 1.00 9.90  ? 135 GLY B C   1 
ATOM   1127 O O   . GLY A 1 129 ? -21.232 -11.922 -16.278 1.00 10.81 ? 135 GLY B O   1 
ATOM   1128 N N   . ILE A 1 130 ? -20.410 -11.217 -18.258 1.00 9.90  ? 136 ILE B N   1 
ATOM   1129 C CA  . ILE A 1 130 ? -20.681 -12.485 -19.000 1.00 9.73  ? 136 ILE B CA  1 
ATOM   1130 C C   . ILE A 1 130 ? -19.365 -12.967 -19.597 1.00 10.54 ? 136 ILE B C   1 
ATOM   1131 O O   . ILE A 1 130 ? -18.689 -12.206 -20.298 1.00 10.40 ? 136 ILE B O   1 
ATOM   1132 C CB  . ILE A 1 130 ? -21.713 -12.234 -20.106 1.00 10.59 ? 136 ILE B CB  1 
ATOM   1133 C CG1 . ILE A 1 130 ? -23.001 -11.705 -19.488 1.00 11.78 ? 136 ILE B CG1 1 
ATOM   1134 C CG2 . ILE A 1 130 ? -21.984 -13.499 -20.914 1.00 11.74 ? 136 ILE B CG2 1 
ATOM   1135 C CD1 . ILE A 1 130 ? -24.016 -11.320 -20.468 1.00 14.44 ? 136 ILE B CD1 1 
ATOM   1136 N N   . PHE A 1 131 ? -19.002 -14.188 -19.246 1.00 10.00 ? 137 PHE B N   1 
ATOM   1137 C CA  . PHE A 1 131 ? -17.765 -14.841 -19.729 1.00 9.63  ? 137 PHE B CA  1 
ATOM   1138 C C   . PHE A 1 131 ? -18.121 -16.072 -20.526 1.00 9.52  ? 137 PHE B C   1 
ATOM   1139 O O   . PHE A 1 131 ? -18.881 -16.913 -20.058 1.00 10.35 ? 137 PHE B O   1 
ATOM   1140 C CB  . PHE A 1 131 ? -16.890 -15.234 -18.544 1.00 10.88 ? 137 PHE B CB  1 
ATOM   1141 C CG  . PHE A 1 131 ? -15.644 -15.993 -18.908 1.00 12.03 ? 137 PHE B CG  1 
ATOM   1142 C CD1 . PHE A 1 131 ? -14.625 -15.370 -19.585 1.00 13.22 ? 137 PHE B CD1 1 
ATOM   1143 C CD2 . PHE A 1 131 ? -15.468 -17.314 -18.550 1.00 13.24 ? 137 PHE B CD2 1 
ATOM   1144 C CE1 . PHE A 1 131 ? -13.469 -16.068 -19.929 1.00 14.96 ? 137 PHE B CE1 1 
ATOM   1145 C CE2 . PHE A 1 131 ? -14.317 -18.024 -18.901 1.00 15.07 ? 137 PHE B CE2 1 
ATOM   1146 C CZ  . PHE A 1 131 ? -13.320 -17.375 -19.568 1.00 14.52 ? 137 PHE B CZ  1 
ATOM   1147 N N   . VAL A 1 132 ? -17.545 -16.206 -21.715 1.00 9.69  ? 138 VAL B N   1 
ATOM   1148 C CA  . VAL A 1 132 ? -17.711 -17.386 -22.584 1.00 10.54 ? 138 VAL B CA  1 
ATOM   1149 C C   . VAL A 1 132 ? -16.344 -17.976 -22.876 1.00 9.75  ? 138 VAL B C   1 
ATOM   1150 O O   . VAL A 1 132 ? -15.444 -17.269 -23.347 1.00 11.08 ? 138 VAL B O   1 
ATOM   1151 C CB  . VAL A 1 132 ? -18.439 -17.039 -23.874 1.00 10.66 ? 138 VAL B CB  1 
ATOM   1152 C CG1 . VAL A 1 132 ? -18.583 -18.272 -24.758 1.00 12.26 ? 138 VAL B CG1 1 
ATOM   1153 C CG2 . VAL A 1 132 ? -19.799 -16.399 -23.602 1.00 11.76 ? 138 VAL B CG2 1 
ATOM   1154 N N   . ASP A 1 133 ? -16.202 -19.248 -22.567 1.00 9.76  ? 139 ASP B N   1 
ATOM   1155 C CA  . ASP A 1 133 ? -15.004 -20.042 -22.990 1.00 11.01 ? 139 ASP B CA  1 
ATOM   1156 C C   . ASP A 1 133 ? -15.496 -21.052 -24.021 1.00 10.23 ? 139 ASP B C   1 
ATOM   1157 O O   . ASP A 1 133 ? -16.128 -22.052 -23.658 1.00 10.44 ? 139 ASP B O   1 
ATOM   1158 C CB  . ASP A 1 133 ? -14.284 -20.668 -21.820 1.00 11.72 ? 139 ASP B CB  1 
ATOM   1159 C CG  . ASP A 1 133 ? -13.019 -21.445 -22.176 1.00 12.92 ? 139 ASP B CG  1 
ATOM   1160 O OD1 . ASP A 1 133 ? -12.902 -21.875 -23.353 1.00 14.41 ? 139 ASP B OD1 1 
ATOM   1161 O OD2 . ASP A 1 133 ? -12.204 -21.589 -21.218 1.00 17.81 ? 139 ASP B OD2 1 
ATOM   1162 N N   . TYR A 1 134 ? -15.277 -20.746 -25.308 1.00 10.83 ? 140 TYR B N   1 
ATOM   1163 C CA  . TYR A 1 134 ? -15.849 -21.589 -26.376 1.00 11.03 ? 140 TYR B CA  1 
ATOM   1164 C C   . TYR A 1 134 ? -15.342 -23.036 -26.284 1.00 12.27 ? 140 TYR B C   1 
ATOM   1165 O O   . TYR A 1 134 ? -16.082 -23.972 -26.285 1.00 13.00 ? 140 TYR B O   1 
ATOM   1166 C CB  . TYR A 1 134 ? -15.610 -20.953 -27.757 1.00 11.07 ? 140 TYR B CB  1 
ATOM   1167 C CG  . TYR A 1 134 ? -16.541 -21.551 -28.790 1.00 11.08 ? 140 TYR B CG  1 
ATOM   1168 C CD1 . TYR A 1 134 ? -16.356 -22.824 -29.309 1.00 11.75 ? 140 TYR B CD1 1 
ATOM   1169 C CD2 . TYR A 1 134 ? -17.677 -20.869 -29.199 1.00 11.15 ? 140 TYR B CD2 1 
ATOM   1170 C CE1 . TYR A 1 134 ? -17.249 -23.392 -30.190 1.00 11.40 ? 140 TYR B CE1 1 
ATOM   1171 C CE2 . TYR A 1 134 ? -18.586 -21.421 -30.086 1.00 11.61 ? 140 TYR B CE2 1 
ATOM   1172 C CZ  . TYR A 1 134 ? -18.392 -22.699 -30.589 1.00 11.13 ? 140 TYR B CZ  1 
ATOM   1173 O OH  . TYR A 1 134 ? -19.278 -23.292 -31.442 1.00 11.60 ? 140 TYR B OH  1 
ATOM   1174 N N   . GLU A 1 135 ? -14.041 -23.146 -26.184 1.00 13.59 ? 141 GLU B N   1 
ATOM   1175 C CA  . GLU A 1 135 ? -13.387 -24.484 -26.232 1.00 14.52 ? 141 GLU B CA  1 
ATOM   1176 C C   . GLU A 1 135 ? -13.819 -25.312 -25.033 1.00 14.11 ? 141 GLU B C   1 
ATOM   1177 O O   . GLU A 1 135 ? -14.169 -26.488 -25.215 1.00 16.18 ? 141 GLU B O   1 
ATOM   1178 C CB  . GLU A 1 135 ? -11.874 -24.355 -26.267 1.00 16.61 ? 141 GLU B CB  1 
ATOM   1179 C CG  . GLU A 1 135 ? -11.366 -24.099 -27.686 1.00 23.83 ? 141 GLU B CG  1 
ATOM   1180 C CD  . GLU A 1 135 ? -11.826 -22.835 -28.321 1.00 27.75 ? 141 GLU B CD  1 
ATOM   1181 O OE1 . GLU A 1 135 ? -12.158 -22.875 -29.460 1.00 22.37 ? 141 GLU B OE1 1 
ATOM   1182 O OE2 . GLU A 1 135 ? -11.863 -21.805 -27.631 1.00 29.06 ? 141 GLU B OE2 1 
ATOM   1183 N N   . ALA A 1 136 ? -13.888 -24.719 -23.838 1.00 12.19 ? 142 ALA B N   1 
ATOM   1184 C CA  . ALA A 1 136 ? -14.251 -25.443 -22.616 1.00 13.20 ? 142 ALA B CA  1 
ATOM   1185 C C   . ALA A 1 136 ? -15.755 -25.724 -22.552 1.00 13.34 ? 142 ALA B C   1 
ATOM   1186 O O   . ALA A 1 136 ? -16.163 -26.578 -21.775 1.00 15.26 ? 142 ALA B O   1 
ATOM   1187 C CB  . ALA A 1 136 ? -13.842 -24.666 -21.387 1.00 14.59 ? 142 ALA B CB  1 
ATOM   1188 N N   . GLY A 1 137 ? -16.597 -25.054 -23.327 1.00 11.43 ? 143 GLY B N   1 
ATOM   1189 C CA  . GLY A 1 137 ? -18.052 -25.169 -23.246 1.00 10.86 ? 143 GLY B CA  1 
ATOM   1190 C C   . GLY A 1 137 ? -18.615 -24.575 -21.944 1.00 9.76  ? 143 GLY B C   1 
ATOM   1191 O O   . GLY A 1 137 ? -19.395 -25.255 -21.266 1.00 10.76 ? 143 GLY B O   1 
ATOM   1192 N N   . VAL A 1 138 ? -18.202 -23.352 -21.634 1.00 10.12 ? 144 VAL B N   1 
ATOM   1193 C CA  . VAL A 1 138 ? -18.597 -22.659 -20.374 1.00 10.50 ? 144 VAL B CA  1 
ATOM   1194 C C   . VAL A 1 138 ? -19.180 -21.293 -20.721 1.00 9.82  ? 144 VAL B C   1 
ATOM   1195 O O   . VAL A 1 138 ? -18.595 -20.522 -21.501 1.00 10.51 ? 144 VAL B O   1 
ATOM   1196 C CB  . VAL A 1 138 ? -17.362 -22.499 -19.472 1.00 11.39 ? 144 VAL B CB  1 
ATOM   1197 C CG1 . VAL A 1 138 ? -17.629 -21.527 -18.307 1.00 12.35 ? 144 VAL B CG1 1 
ATOM   1198 C CG2 . VAL A 1 138 ? -16.909 -23.875 -18.991 1.00 12.87 ? 144 VAL B CG2 1 
ATOM   1199 N N   . VAL A 1 139 ? -20.264 -20.976 -20.029 1.00 9.56  ? 145 VAL B N   1 
ATOM   1200 C CA  . VAL A 1 139 ? -20.826 -19.594 -19.961 1.00 9.34  ? 145 VAL B CA  1 
ATOM   1201 C C   . VAL A 1 139 ? -21.038 -19.235 -18.477 1.00 8.95  ? 145 VAL B C   1 
ATOM   1202 O O   . VAL A 1 139 ? -21.819 -19.956 -17.807 1.00 9.38  ? 145 VAL B O   1 
ATOM   1203 C CB  . VAL A 1 139 ? -22.144 -19.474 -20.739 1.00 9.09  ? 145 VAL B CB  1 
ATOM   1204 C CG1 . VAL A 1 139 ? -22.637 -18.012 -20.715 1.00 9.53  ? 145 VAL B CG1 1 
ATOM   1205 C CG2 . VAL A 1 139 ? -22.019 -19.982 -22.169 1.00 9.79  ? 145 VAL B CG2 1 
ATOM   1206 N N   . SER A 1 140 ? -20.386 -18.199 -18.004 1.00 8.61  ? 146 SER B N   1 
ATOM   1207 C CA  . SER A 1 140 ? -20.493 -17.782 -16.600 1.00 9.78  ? 146 SER B CA  1 
ATOM   1208 C C   . SER A 1 140 ? -20.951 -16.333 -16.491 1.00 9.14  ? 146 SER B C   1 
ATOM   1209 O O   . SER A 1 140 ? -20.651 -15.510 -17.347 1.00 9.96  ? 146 SER B O   1 
ATOM   1210 C CB  . SER A 1 140 ? -19.168 -17.976 -15.872 1.00 9.49  ? 146 SER B CB  1 
ATOM   1211 O OG  . SER A 1 140 ? -18.820 -19.363 -15.787 1.00 10.89 ? 146 SER B OG  1 
ATOM   1212 N N   . PHE A 1 141 ? -21.640 -16.070 -15.396 1.00 8.67  ? 147 PHE B N   1 
ATOM   1213 C CA  . PHE A 1 141 ? -22.265 -14.775 -15.089 1.00 9.15  ? 147 PHE B CA  1 
ATOM   1214 C C   . PHE A 1 141 ? -21.729 -14.309 -13.745 1.00 9.22  ? 147 PHE B C   1 
ATOM   1215 O O   . PHE A 1 141 ? -21.759 -15.098 -12.752 1.00 9.24  ? 147 PHE B O   1 
ATOM   1216 C CB  . PHE A 1 141 ? -23.806 -14.884 -15.076 1.00 9.05  ? 147 PHE B CB  1 
ATOM   1217 C CG  . PHE A 1 141 ? -24.408 -15.274 -16.401 1.00 8.83  ? 147 PHE B CG  1 
ATOM   1218 C CD1 . PHE A 1 141 ? -24.456 -16.609 -16.815 1.00 8.93  ? 147 PHE B CD1 1 
ATOM   1219 C CD2 . PHE A 1 141 ? -24.915 -14.298 -17.256 1.00 8.70  ? 147 PHE B CD2 1 
ATOM   1220 C CE1 . PHE A 1 141 ? -24.966 -16.952 -18.065 1.00 8.92  ? 147 PHE B CE1 1 
ATOM   1221 C CE2 . PHE A 1 141 ? -25.408 -14.659 -18.510 1.00 8.73  ? 147 PHE B CE2 1 
ATOM   1222 C CZ  . PHE A 1 141 ? -25.447 -15.981 -18.902 1.00 8.67  ? 147 PHE B CZ  1 
ATOM   1223 N N   . TYR A 1 142 ? -21.429 -13.019 -13.649 1.00 9.22  ? 148 TYR B N   1 
ATOM   1224 C CA  . TYR A 1 142 ? -20.769 -12.402 -12.481 1.00 10.78 ? 148 TYR B CA  1 
ATOM   1225 C C   . TYR A 1 142 ? -21.543 -11.154 -12.055 1.00 10.90 ? 148 TYR B C   1 
ATOM   1226 O O   . TYR A 1 142 ? -22.015 -10.339 -12.877 1.00 10.81 ? 148 TYR B O   1 
ATOM   1227 C CB  . TYR A 1 142 ? -19.293 -12.110 -12.727 1.00 11.10 ? 148 TYR B CB  1 
ATOM   1228 C CG  . TYR A 1 142 ? -18.485 -13.345 -13.021 1.00 11.39 ? 148 TYR B CG  1 
ATOM   1229 C CD1 . TYR A 1 142 ? -17.991 -14.138 -12.004 1.00 12.18 ? 148 TYR B CD1 1 
ATOM   1230 C CD2 . TYR A 1 142 ? -18.300 -13.799 -14.319 1.00 12.17 ? 148 TYR B CD2 1 
ATOM   1231 C CE1 . TYR A 1 142 ? -17.335 -15.330 -12.270 1.00 12.48 ? 148 TYR B CE1 1 
ATOM   1232 C CE2 . TYR A 1 142 ? -17.628 -14.973 -14.606 1.00 12.97 ? 148 TYR B CE2 1 
ATOM   1233 C CZ  . TYR A 1 142 ? -17.114 -15.734 -13.571 1.00 12.77 ? 148 TYR B CZ  1 
ATOM   1234 O OH  . TYR A 1 142 ? -16.446 -16.916 -13.838 1.00 14.31 ? 148 TYR B OH  1 
ATOM   1235 N N   . ASN A 1 143 ? -21.589 -10.936 -10.742 1.00 12.41 ? 149 ASN B N   1 
ATOM   1236 C CA  . ASN A 1 143 ? -22.278 -9.775  -10.110 1.00 11.86 ? 149 ASN B CA  1 
ATOM   1237 C C   . ASN A 1 143 ? -21.253 -8.657  -9.943  1.00 11.40 ? 149 ASN B C   1 
ATOM   1238 O O   . ASN A 1 143 ? -20.485 -8.687  -8.927  1.00 13.82 ? 149 ASN B O   1 
ATOM   1239 C CB  . ASN A 1 143 ? -22.890 -10.215 -8.790  1.00 11.85 ? 149 ASN B CB  1 
ATOM   1240 C CG  . ASN A 1 143 ? -23.722 -9.119  -8.136  1.00 12.17 ? 149 ASN B CG  1 
ATOM   1241 O OD1 . ASN A 1 143 ? -23.553 -7.943  -8.488  1.00 13.38 ? 149 ASN B OD1 1 
ATOM   1242 N ND2 . ASN A 1 143 ? -24.610 -9.521  -7.276  1.00 13.66 ? 149 ASN B ND2 1 
ATOM   1243 N N   . ILE A 1 144 ? -21.159 -7.691  -10.849 1.00 12.66 ? 150 ILE B N   1 
ATOM   1244 C CA  . ILE A 1 144 ? -20.096 -6.660  -10.789 1.00 13.50 ? 150 ILE B CA  1 
ATOM   1245 C C   . ILE A 1 144 ? -20.353 -5.768  -9.554  1.00 14.93 ? 150 ILE B C   1 
ATOM   1246 O O   . ILE A 1 144 ? -19.351 -5.299  -8.959  1.00 17.04 ? 150 ILE B O   1 
ATOM   1247 C CB  . ILE A 1 144 ? -20.064 -5.864  -12.103 1.00 14.20 ? 150 ILE B CB  1 
ATOM   1248 C CG1 . ILE A 1 144 ? -19.896 -6.773  -13.328 1.00 15.02 ? 150 ILE B CG1 1 
ATOM   1249 C CG2 . ILE A 1 144 ? -19.035 -4.742  -12.089 1.00 16.44 ? 150 ILE B CG2 1 
ATOM   1250 C CD1 . ILE A 1 144 ? -18.848 -7.826  -13.168 1.00 19.00 ? 150 ILE B CD1 1 
ATOM   1251 N N   . THR A 1 145 ? -21.594 -5.574  -9.153  1.00 14.33 ? 151 THR B N   1 
ATOM   1252 C CA  . THR A 1 145 ? -21.989 -4.722  -7.988  1.00 15.11 ? 151 THR B CA  1 
ATOM   1253 C C   . THR A 1 145 ? -21.444 -5.357  -6.712  1.00 17.88 ? 151 THR B C   1 
ATOM   1254 O O   . THR A 1 145 ? -21.002 -4.593  -5.817  1.00 21.23 ? 151 THR B O   1 
ATOM   1255 C CB  . THR A 1 145 ? -23.515 -4.586  -7.948  1.00 14.29 ? 151 THR B CB  1 
ATOM   1256 O OG1 . THR A 1 145 ? -23.948 -4.088  -9.209  1.00 15.20 ? 151 THR B OG1 1 
ATOM   1257 C CG2 . THR A 1 145 ? -23.938 -3.610  -6.864  1.00 16.22 ? 151 THR B CG2 1 
ATOM   1258 N N   . ASP A 1 146 ? -21.371 -6.681  -6.622  1.00 16.44 ? 152 ASP B N   1 
ATOM   1259 C CA  . ASP A 1 146 ? -20.851 -7.422  -5.443  1.00 17.21 ? 152 ASP B CA  1 
ATOM   1260 C C   . ASP A 1 146 ? -19.437 -7.961  -5.707  1.00 18.00 ? 152 ASP B C   1 
ATOM   1261 O O   . ASP A 1 146 ? -19.252 -9.172  -5.551  1.00 18.57 ? 152 ASP B O   1 
ATOM   1262 C CB  . ASP A 1 146 ? -21.866 -8.467  -5.067  1.00 17.03 ? 152 ASP B CB  1 
ATOM   1263 C CG  . ASP A 1 146 ? -21.504 -9.250  -3.837  1.00 20.42 ? 152 ASP B CG  1 
ATOM   1264 O OD1 . ASP A 1 146 ? -21.021 -8.622  -2.870  1.00 22.69 ? 152 ASP B OD1 1 
ATOM   1265 O OD2 . ASP A 1 146 ? -21.692 -10.468 -3.886  1.00 21.09 ? 152 ASP B OD2 1 
ATOM   1266 N N   . HIS A 1 147 ? -18.516 -7.127  -6.151  1.00 19.65 ? 153 HIS B N   1 
ATOM   1267 C CA  . HIS A 1 147 ? -17.065 -7.450  -6.246  1.00 22.84 ? 153 HIS B CA  1 
ATOM   1268 C C   . HIS A 1 147 ? -16.874 -8.660  -7.170  1.00 21.59 ? 153 HIS B C   1 
ATOM   1269 O O   . HIS A 1 147 ? -15.965 -9.467  -6.950  1.00 23.97 ? 153 HIS B O   1 
ATOM   1270 C CB  . HIS A 1 147 ? -16.428 -7.791  -4.883  1.00 27.53 ? 153 HIS B CB  1 
ATOM   1271 C CG  . HIS A 1 147 ? -16.753 -6.899  -3.725  1.00 34.87 ? 153 HIS B CG  1 
ATOM   1272 N ND1 . HIS A 1 147 ? -16.081 -5.713  -3.496  1.00 40.28 ? 153 HIS B ND1 1 
ATOM   1273 C CD2 . HIS A 1 147 ? -17.622 -7.051  -2.702  1.00 38.22 ? 153 HIS B CD2 1 
ATOM   1274 C CE1 . HIS A 1 147 ? -16.549 -5.146  -2.400  1.00 42.42 ? 153 HIS B CE1 1 
ATOM   1275 N NE2 . HIS A 1 147 ? -17.496 -5.951  -1.890  1.00 41.39 ? 153 HIS B NE2 1 
ATOM   1276 N N   . GLY A 1 148 ? -17.717 -8.810  -8.185  1.00 17.53 ? 154 GLY B N   1 
ATOM   1277 C CA  . GLY A 1 148 ? -17.520 -9.848  -9.210  1.00 15.72 ? 154 GLY B CA  1 
ATOM   1278 C C   . GLY A 1 148 ? -17.931 -11.226 -8.753  1.00 14.46 ? 154 GLY B C   1 
ATOM   1279 O O   . GLY A 1 148 ? -17.420 -12.152 -9.356  1.00 15.02 ? 154 GLY B O   1 
ATOM   1280 N N   . SER A 1 149 ? -18.756 -11.377 -7.746  1.00 13.53 ? 155 SER B N   1 
ATOM   1281 C CA  . SER A 1 149 ? -19.114 -12.713 -7.227  1.00 12.12 ? 155 SER B CA  1 
ATOM   1282 C C   . SER A 1 149 ? -19.812 -13.546 -8.312  1.00 12.33 ? 155 SER B C   1 
ATOM   1283 O O   . SER A 1 149 ? -20.630 -13.014 -9.124  1.00 11.94 ? 155 SER B O   1 
ATOM   1284 C CB  . SER A 1 149 ? -19.983 -12.609 -5.993  1.00 13.35 ? 155 SER B CB  1 
ATOM   1285 O OG  . SER A 1 149 ? -21.163 -11.836 -6.173  1.00 13.96 ? 155 SER B OG  1 
ATOM   1286 N N   . LEU A 1 150 ? -19.630 -14.835 -8.305  1.00 11.36 ? 156 LEU B N   1 
ATOM   1287 C CA  . LEU A 1 150 ? -20.280 -15.740 -9.291  1.00 10.57 ? 156 LEU B CA  1 
ATOM   1288 C C   . LEU A 1 150 ? -21.780 -15.785 -9.051  1.00 10.44 ? 156 LEU B C   1 
ATOM   1289 O O   . LEU A 1 150 ? -22.292 -16.000 -7.921  1.00 11.11 ? 156 LEU B O   1 
ATOM   1290 C CB  . LEU A 1 150 ? -19.695 -17.148 -9.134  1.00 11.07 ? 156 LEU B CB  1 
ATOM   1291 C CG  . LEU A 1 150 ? -20.249 -18.202 -10.122 1.00 10.87 ? 156 LEU B CG  1 
ATOM   1292 C CD1 . LEU A 1 150 ? -19.845 -17.901 -11.555 1.00 10.81 ? 156 LEU B CD1 1 
ATOM   1293 C CD2 . LEU A 1 150 ? -19.709 -19.595 -9.742  1.00 12.36 ? 156 LEU B CD2 1 
ATOM   1294 N N   . ILE A 1 151 ? -22.539 -15.642 -10.147 1.00 9.67  ? 157 ILE B N   1 
ATOM   1295 C CA  . ILE A 1 151 ? -23.989 -15.859 -10.179 1.00 9.61  ? 157 ILE B CA  1 
ATOM   1296 C C   . ILE A 1 151 ? -24.336 -17.266 -10.655 1.00 9.48  ? 157 ILE B C   1 
ATOM   1297 O O   . ILE A 1 151 ? -25.133 -17.965 -10.052 1.00 9.49  ? 157 ILE B O   1 
ATOM   1298 C CB  . ILE A 1 151 ? -24.668 -14.776 -11.043 1.00 10.10 ? 157 ILE B CB  1 
ATOM   1299 C CG1 . ILE A 1 151 ? -24.516 -13.385 -10.442 1.00 10.85 ? 157 ILE B CG1 1 
ATOM   1300 C CG2 . ILE A 1 151 ? -26.141 -15.116 -11.249 1.00 10.28 ? 157 ILE B CG2 1 
ATOM   1301 C CD1 . ILE A 1 151 ? -24.945 -12.275 -11.386 1.00 10.95 ? 157 ILE B CD1 1 
ATOM   1302 N N   . TYR A 1 152 ? -23.768 -17.694 -11.790 1.00 9.13  ? 158 TYR B N   1 
ATOM   1303 C CA  . TYR A 1 152 ? -24.153 -18.994 -12.380 1.00 8.74  ? 158 TYR B CA  1 
ATOM   1304 C C   . TYR A 1 152 ? -23.110 -19.402 -13.415 1.00 8.98  ? 158 TYR B C   1 
ATOM   1305 O O   . TYR A 1 152 ? -22.620 -18.520 -14.160 1.00 9.40  ? 158 TYR B O   1 
ATOM   1306 C CB  . TYR A 1 152 ? -25.525 -18.919 -13.109 1.00 8.82  ? 158 TYR B CB  1 
ATOM   1307 C CG  . TYR A 1 152 ? -26.076 -20.272 -13.448 1.00 8.67  ? 158 TYR B CG  1 
ATOM   1308 C CD1 . TYR A 1 152 ? -26.712 -21.074 -12.495 1.00 9.65  ? 158 TYR B CD1 1 
ATOM   1309 C CD2 . TYR A 1 152 ? -25.948 -20.790 -14.737 1.00 9.03  ? 158 TYR B CD2 1 
ATOM   1310 C CE1 . TYR A 1 152 ? -27.168 -22.331 -12.809 1.00 10.02 ? 158 TYR B CE1 1 
ATOM   1311 C CE2 . TYR A 1 152 ? -26.402 -22.041 -15.058 1.00 9.49  ? 158 TYR B CE2 1 
ATOM   1312 C CZ  . TYR A 1 152 ? -26.989 -22.818 -14.089 1.00 9.74  ? 158 TYR B CZ  1 
ATOM   1313 O OH  . TYR A 1 152 ? -27.397 -24.096 -14.365 1.00 12.12 ? 158 TYR B OH  1 
ATOM   1314 N N   . THR A 1 153 ? -22.835 -20.708 -13.523 1.00 8.65  ? 159 THR B N   1 
ATOM   1315 C CA  . THR A 1 153 ? -22.020 -21.301 -14.599 1.00 8.96  ? 159 THR B CA  1 
ATOM   1316 C C   . THR A 1 153 ? -22.781 -22.410 -15.295 1.00 8.89  ? 159 THR B C   1 
ATOM   1317 O O   . THR A 1 153 ? -23.160 -23.388 -14.674 1.00 9.88  ? 159 THR B O   1 
ATOM   1318 C CB  . THR A 1 153 ? -20.675 -21.839 -14.063 1.00 9.64  ? 159 THR B CB  1 
ATOM   1319 O OG1 . THR A 1 153 ? -19.909 -20.721 -13.608 1.00 10.12 ? 159 THR B OG1 1 
ATOM   1320 C CG2 . THR A 1 153 ? -19.937 -22.684 -15.085 1.00 10.52 ? 159 THR B CG2 1 
ATOM   1321 N N   . PHE A 1 154 ? -23.020 -22.229 -16.599 1.00 9.19  ? 160 PHE B N   1 
ATOM   1322 C CA  . PHE A 1 154 ? -23.382 -23.339 -17.510 1.00 9.08  ? 160 PHE B CA  1 
ATOM   1323 C C   . PHE A 1 154 ? -22.067 -24.018 -17.945 1.00 9.70  ? 160 PHE B C   1 
ATOM   1324 O O   . PHE A 1 154 ? -21.206 -23.377 -18.510 1.00 9.96  ? 160 PHE B O   1 
ATOM   1325 C CB  . PHE A 1 154 ? -24.063 -22.826 -18.776 1.00 9.30  ? 160 PHE B CB  1 
ATOM   1326 C CG  . PHE A 1 154 ? -25.433 -22.209 -18.611 1.00 8.26  ? 160 PHE B CG  1 
ATOM   1327 C CD1 . PHE A 1 154 ? -25.597 -20.863 -18.347 1.00 7.96  ? 160 PHE B CD1 1 
ATOM   1328 C CD2 . PHE A 1 154 ? -26.556 -22.983 -18.797 1.00 8.70  ? 160 PHE B CD2 1 
ATOM   1329 C CE1 . PHE A 1 154 ? -26.873 -20.318 -18.273 1.00 8.63  ? 160 PHE B CE1 1 
ATOM   1330 C CE2 . PHE A 1 154 ? -27.837 -22.432 -18.721 1.00 9.18  ? 160 PHE B CE2 1 
ATOM   1331 C CZ  . PHE A 1 154 ? -27.988 -21.093 -18.469 1.00 8.54  ? 160 PHE B CZ  1 
ATOM   1332 N N   . SER A 1 155 ? -21.980 -25.312 -17.660 1.00 11.38 ? 161 SER B N   1 
ATOM   1333 C CA  . SER A 1 155 ? -20.827 -26.102 -18.113 1.00 11.85 ? 161 SER B CA  1 
ATOM   1334 C C   . SER A 1 155 ? -21.343 -27.241 -18.969 1.00 11.61 ? 161 SER B C   1 
ATOM   1335 O O   . SER A 1 155 ? -22.543 -27.509 -19.043 1.00 13.17 ? 161 SER B O   1 
ATOM   1336 C CB  . SER A 1 155 ? -20.010 -26.537 -16.938 1.00 12.79 ? 161 SER B CB  1 
ATOM   1337 O OG  . SER A 1 155 ? -20.717 -27.447 -16.165 1.00 17.36 ? 161 SER B OG  1 
ATOM   1338 N N   . GLU A 1 156 ? -20.403 -27.907 -19.661 1.00 13.71 ? 162 GLU B N   1 
ATOM   1339 C CA  . GLU A 1 156 ? -20.768 -28.987 -20.616 1.00 15.07 ? 162 GLU B CA  1 
ATOM   1340 C C   . GLU A 1 156 ? -21.724 -28.418 -21.660 1.00 13.16 ? 162 GLU B C   1 
ATOM   1341 O O   . GLU A 1 156 ? -22.623 -29.142 -22.163 1.00 15.06 ? 162 GLU B O   1 
ATOM   1342 C CB  . GLU A 1 156 ? -21.388 -30.199 -19.922 1.00 17.87 ? 162 GLU B CB  1 
ATOM   1343 C CG  . GLU A 1 156 ? -20.683 -30.665 -18.673 1.00 23.57 ? 162 GLU B CG  1 
ATOM   1344 C CD  . GLU A 1 156 ? -21.260 -31.990 -18.248 1.00 33.04 ? 162 GLU B CD  1 
ATOM   1345 O OE1 . GLU A 1 156 ? -22.365 -31.995 -17.648 1.00 37.82 ? 162 GLU B OE1 1 
ATOM   1346 O OE2 . GLU A 1 156 ? -20.672 -33.012 -18.639 1.00 38.97 ? 162 GLU B OE2 1 
ATOM   1347 N N   . CYS A 1 157 ? -21.483 -27.174 -22.059 1.00 12.37 ? 163 CYS B N   1 
ATOM   1348 C CA  . CYS A 1 157 ? -22.331 -26.544 -23.096 1.00 11.71 ? 163 CYS B CA  1 
ATOM   1349 C C   . CYS A 1 157 ? -22.080 -27.205 -24.452 1.00 12.83 ? 163 CYS B C   1 
ATOM   1350 O O   . CYS A 1 157 ? -20.886 -27.422 -24.795 1.00 13.55 ? 163 CYS B O   1 
ATOM   1351 C CB  . CYS A 1 157 ? -22.122 -25.031 -23.229 1.00 11.11 ? 163 CYS B CB  1 
ATOM   1352 S SG  . CYS A 1 157 ? -22.545 -24.097 -21.726 1.00 11.33 ? 163 CYS B SG  1 
ATOM   1353 N N   . VAL A 1 158 ? -23.139 -27.392 -25.196 1.00 12.05 ? 164 VAL B N   1 
ATOM   1354 C CA  . VAL A 1 158 ? -23.014 -27.913 -26.586 1.00 12.66 ? 164 VAL B CA  1 
ATOM   1355 C C   . VAL A 1 158 ? -23.460 -26.758 -27.492 1.00 11.72 ? 164 VAL B C   1 
ATOM   1356 O O   . VAL A 1 158 ? -24.635 -26.669 -27.855 1.00 14.15 ? 164 VAL B O   1 
ATOM   1357 C CB  . VAL A 1 158 ? -23.763 -29.271 -26.723 1.00 15.53 ? 164 VAL B CB  1 
ATOM   1358 C CG1 . VAL A 1 158 ? -23.655 -29.745 -28.174 1.00 15.23 ? 164 VAL B CG1 1 
ATOM   1359 C CG2 . VAL A 1 158 ? -23.246 -30.326 -25.741 1.00 16.47 ? 164 VAL B CG2 1 
ATOM   1360 N N   . PHE A 1 159 ? -22.570 -25.840 -27.821 1.00 11.41 ? 165 PHE B N   1 
ATOM   1361 C CA  . PHE A 1 159 ? -22.887 -24.599 -28.552 1.00 11.93 ? 165 PHE B CA  1 
ATOM   1362 C C   . PHE A 1 159 ? -23.464 -24.968 -29.917 1.00 12.53 ? 165 PHE B C   1 
ATOM   1363 O O   . PHE A 1 159 ? -24.484 -24.395 -30.351 1.00 13.76 ? 165 PHE B O   1 
ATOM   1364 C CB  . PHE A 1 159 ? -21.709 -23.643 -28.575 1.00 11.47 ? 165 PHE B CB  1 
ATOM   1365 C CG  . PHE A 1 159 ? -21.274 -23.153 -27.207 1.00 10.06 ? 165 PHE B CG  1 
ATOM   1366 C CD1 . PHE A 1 159 ? -22.214 -22.636 -26.319 1.00 10.48 ? 165 PHE B CD1 1 
ATOM   1367 C CD2 . PHE A 1 159 ? -19.941 -23.147 -26.828 1.00 11.70 ? 165 PHE B CD2 1 
ATOM   1368 C CE1 . PHE A 1 159 ? -21.815 -22.183 -25.060 1.00 10.51 ? 165 PHE B CE1 1 
ATOM   1369 C CE2 . PHE A 1 159 ? -19.538 -22.686 -25.580 1.00 11.17 ? 165 PHE B CE2 1 
ATOM   1370 C CZ  . PHE A 1 159 ? -20.478 -22.177 -24.709 1.00 11.00 ? 165 PHE B CZ  1 
ATOM   1371 N N   . ALA A 1 160 ? -22.775 -25.844 -30.658 1.00 11.81 ? 166 ALA B N   1 
ATOM   1372 C CA  . ALA A 1 160 ? -23.250 -26.415 -31.941 1.00 12.58 ? 166 ALA B CA  1 
ATOM   1373 C C   . ALA A 1 160 ? -23.388 -25.340 -33.007 1.00 12.18 ? 166 ALA B C   1 
ATOM   1374 O O   . ALA A 1 160 ? -24.196 -25.547 -33.975 1.00 13.35 ? 166 ALA B O   1 
ATOM   1375 C CB  . ALA A 1 160 ? -24.498 -27.208 -31.761 1.00 12.81 ? 166 ALA B CB  1 
ATOM   1376 N N   . GLY A 1 161 ? -22.610 -24.299 -32.931 1.00 12.18 ? 167 GLY B N   1 
ATOM   1377 C CA  . GLY A 1 161 ? -22.621 -23.229 -33.934 1.00 12.70 ? 167 GLY B CA  1 
ATOM   1378 C C   . GLY A 1 161 ? -21.915 -21.997 -33.434 1.00 11.40 ? 167 GLY B C   1 
ATOM   1379 O O   . GLY A 1 161 ? -21.489 -21.953 -32.240 1.00 11.84 ? 167 GLY B O   1 
ATOM   1380 N N   . PRO A 1 162 ? -21.784 -20.974 -34.265 1.00 10.65 ? 168 PRO B N   1 
ATOM   1381 C CA  . PRO A 1 162 ? -21.322 -19.677 -33.811 1.00 10.83 ? 168 PRO B CA  1 
ATOM   1382 C C   . PRO A 1 162 ? -22.265 -19.130 -32.723 1.00 10.58 ? 168 PRO B C   1 
ATOM   1383 O O   . PRO A 1 162 ? -23.476 -19.354 -32.793 1.00 11.18 ? 168 PRO B O   1 
ATOM   1384 C CB  . PRO A 1 162 ? -21.310 -18.761 -35.043 1.00 11.45 ? 168 PRO B CB  1 
ATOM   1385 C CG  . PRO A 1 162 ? -21.434 -19.777 -36.223 1.00 11.85 ? 168 PRO B CG  1 
ATOM   1386 C CD  . PRO A 1 162 ? -22.199 -20.921 -35.682 1.00 10.77 ? 168 PRO B CD  1 
ATOM   1387 N N   . LEU A 1 163 ? -21.690 -18.357 -31.818 1.00 10.11 ? 169 LEU B N   1 
ATOM   1388 C CA  . LEU A 1 163 ? -22.459 -17.700 -30.710 1.00 9.64  ? 169 LEU B CA  1 
ATOM   1389 C C   . LEU A 1 163 ? -22.562 -16.202 -30.977 1.00 10.25 ? 169 LEU B C   1 
ATOM   1390 O O   . LEU A 1 163 ? -21.625 -15.578 -31.455 1.00 11.51 ? 169 LEU B O   1 
ATOM   1391 C CB  . LEU A 1 163 ? -21.762 -17.943 -29.364 1.00 10.24 ? 169 LEU B CB  1 
ATOM   1392 C CG  . LEU A 1 163 ? -21.808 -19.368 -28.823 1.00 11.47 ? 169 LEU B CG  1 
ATOM   1393 C CD1 . LEU A 1 163 ? -20.946 -19.446 -27.585 1.00 11.34 ? 169 LEU B CD1 1 
ATOM   1394 C CD2 . LEU A 1 163 ? -23.225 -19.844 -28.583 1.00 12.04 ? 169 LEU B CD2 1 
ATOM   1395 N N   . ARG A 1 164 ? -23.689 -15.631 -30.555 1.00 9.77  ? 170 ARG B N   1 
ATOM   1396 C CA  . ARG A 1 164 ? -23.908 -14.178 -30.544 1.00 9.68  ? 170 ARG B CA  1 
ATOM   1397 C C   . ARG A 1 164 ? -24.336 -13.704 -29.165 1.00 8.42  ? 170 ARG B C   1 
ATOM   1398 O O   . ARG A 1 164 ? -25.096 -14.388 -28.486 1.00 9.29  ? 170 ARG B O   1 
ATOM   1399 C CB  . ARG A 1 164 ? -24.984 -13.837 -31.580 1.00 11.24 ? 170 ARG B CB  1 
ATOM   1400 C CG  . ARG A 1 164 ? -24.515 -14.192 -32.996 1.00 13.26 ? 170 ARG B CG  1 
ATOM   1401 C CD  . ARG A 1 164 ? -25.431 -13.790 -34.118 1.00 14.11 ? 170 ARG B CD  1 
ATOM   1402 N NE  . ARG A 1 164 ? -25.488 -12.350 -34.222 1.00 14.01 ? 170 ARG B NE  1 
ATOM   1403 C CZ  . ARG A 1 164 ? -26.196 -11.734 -35.151 1.00 14.83 ? 170 ARG B CZ  1 
ATOM   1404 N NH1 . ARG A 1 164 ? -26.803 -12.436 -36.078 1.00 15.68 ? 170 ARG B NH1 1 
ATOM   1405 N NH2 . ARG A 1 164 ? -26.245 -10.420 -35.143 1.00 14.27 ? 170 ARG B NH2 1 
ATOM   1406 N N   . PRO A 1 165 ? -23.890 -12.518 -28.729 1.00 8.22  ? 171 PRO B N   1 
ATOM   1407 C CA  . PRO A 1 165 ? -24.437 -11.928 -27.498 1.00 8.43  ? 171 PRO B CA  1 
ATOM   1408 C C   . PRO A 1 165 ? -25.952 -11.754 -27.650 1.00 8.22  ? 171 PRO B C   1 
ATOM   1409 O O   . PRO A 1 165 ? -26.446 -11.415 -28.715 1.00 9.19  ? 171 PRO B O   1 
ATOM   1410 C CB  . PRO A 1 165 ? -23.742 -10.576 -27.381 1.00 8.75  ? 171 PRO B CB  1 
ATOM   1411 C CG  . PRO A 1 165 ? -22.449 -10.753 -28.226 1.00 9.98  ? 171 PRO B CG  1 
ATOM   1412 C CD  . PRO A 1 165 ? -22.880 -11.652 -29.350 1.00 10.18 ? 171 PRO B CD  1 
ATOM   1413 N N   . PHE A 1 166 ? -26.684 -12.047 -26.574 1.00 8.04  ? 172 PHE B N   1 
ATOM   1414 C CA  . PHE A 1 166 ? -28.156 -12.059 -26.547 1.00 8.22  ? 172 PHE B CA  1 
ATOM   1415 C C   . PHE A 1 166 ? -28.670 -11.117 -25.443 1.00 7.60  ? 172 PHE B C   1 
ATOM   1416 O O   . PHE A 1 166 ? -28.173 -11.117 -24.313 1.00 8.03  ? 172 PHE B O   1 
ATOM   1417 C CB  . PHE A 1 166 ? -28.638 -13.483 -26.281 1.00 8.67  ? 172 PHE B CB  1 
ATOM   1418 C CG  . PHE A 1 166 ? -30.138 -13.578 -26.089 1.00 8.87  ? 172 PHE B CG  1 
ATOM   1419 C CD1 . PHE A 1 166 ? -31.002 -13.573 -27.189 1.00 9.41  ? 172 PHE B CD1 1 
ATOM   1420 C CD2 . PHE A 1 166 ? -30.710 -13.608 -24.823 1.00 9.94  ? 172 PHE B CD2 1 
ATOM   1421 C CE1 . PHE A 1 166 ? -32.378 -13.611 -27.016 1.00 10.12 ? 172 PHE B CE1 1 
ATOM   1422 C CE2 . PHE A 1 166 ? -32.084 -13.620 -24.671 1.00 9.69  ? 172 PHE B CE2 1 
ATOM   1423 C CZ  . PHE A 1 166 ? -32.914 -13.639 -25.763 1.00 10.25 ? 172 PHE B CZ  1 
ATOM   1424 N N   . PHE A 1 167 ? -29.745 -10.376 -25.778 1.00 7.85  ? 173 PHE B N   1 
ATOM   1425 C CA  . PHE A 1 167 ? -30.350 -9.357  -24.892 1.00 7.90  ? 173 PHE B CA  1 
ATOM   1426 C C   . PHE A 1 167 ? -31.874 -9.427  -25.008 1.00 8.29  ? 173 PHE B C   1 
ATOM   1427 O O   . PHE A 1 167 ? -32.397 -9.482  -26.139 1.00 9.04  ? 173 PHE B O   1 
ATOM   1428 C CB  . PHE A 1 167 ? -29.908 -7.938  -25.269 1.00 8.51  ? 173 PHE B CB  1 
ATOM   1429 C CG  . PHE A 1 167 ? -28.408 -7.789  -25.396 1.00 8.51  ? 173 PHE B CG  1 
ATOM   1430 C CD1 . PHE A 1 167 ? -27.748 -8.091  -26.581 1.00 8.55  ? 173 PHE B CD1 1 
ATOM   1431 C CD2 . PHE A 1 167 ? -27.639 -7.334  -24.337 1.00 10.08 ? 173 PHE B CD2 1 
ATOM   1432 C CE1 . PHE A 1 167 ? -26.360 -8.007  -26.693 1.00 9.06  ? 173 PHE B CE1 1 
ATOM   1433 C CE2 . PHE A 1 167 ? -26.263 -7.204  -24.457 1.00 10.36 ? 173 PHE B CE2 1 
ATOM   1434 C CZ  . PHE A 1 167 ? -25.620 -7.540  -25.630 1.00 9.98  ? 173 PHE B CZ  1 
ATOM   1435 N N   . ASN A 1 168 ? -32.561 -9.242  -23.883 1.00 8.74  ? 174 ASN B N   1 
ATOM   1436 C CA  . ASN A 1 168 ? -34.014 -8.978  -23.848 1.00 8.02  ? 174 ASN B CA  1 
ATOM   1437 C C   . ASN A 1 168 ? -34.228 -7.839  -22.858 1.00 8.55  ? 174 ASN B C   1 
ATOM   1438 O O   . ASN A 1 168 ? -33.901 -7.997  -21.665 1.00 9.12  ? 174 ASN B O   1 
ATOM   1439 C CB  . ASN A 1 168 ? -34.795 -10.210 -23.416 1.00 8.98  ? 174 ASN B CB  1 
ATOM   1440 C CG  . ASN A 1 168 ? -36.295 -10.027 -23.535 1.00 9.88  ? 174 ASN B CG  1 
ATOM   1441 O OD1 . ASN A 1 168 ? -36.804 -8.960  -23.829 1.00 10.75 ? 174 ASN B OD1 1 
ATOM   1442 N ND2 . ASN A 1 168 ? -37.034 -11.085 -23.291 1.00 11.60 ? 174 ASN B ND2 1 
ATOM   1443 N N   . VAL A 1 169 ? -34.753 -6.698  -23.335 1.00 8.72  ? 175 VAL B N   1 
ATOM   1444 C CA  . VAL A 1 169 ? -35.013 -5.539  -22.437 1.00 9.19  ? 175 VAL B CA  1 
ATOM   1445 C C   . VAL A 1 169 ? -36.268 -5.767  -21.595 1.00 8.82  ? 175 VAL B C   1 
ATOM   1446 O O   . VAL A 1 169 ? -36.510 -4.966  -20.673 1.00 10.09 ? 175 VAL B O   1 
ATOM   1447 C CB  . VAL A 1 169 ? -35.106 -4.188  -23.178 1.00 9.67  ? 175 VAL B CB  1 
ATOM   1448 C CG1 . VAL A 1 169 ? -33.812 -3.837  -23.865 1.00 11.23 ? 175 VAL B CG1 1 
ATOM   1449 C CG2 . VAL A 1 169 ? -36.262 -4.160  -24.167 1.00 10.56 ? 175 VAL B CG2 1 
ATOM   1450 N N   . GLY A 1 170 ? -37.084 -6.770  -21.941 1.00 9.35  ? 176 GLY B N   1 
ATOM   1451 C CA  . GLY A 1 170 ? -38.364 -7.018  -21.245 1.00 9.56  ? 176 GLY B CA  1 
ATOM   1452 C C   . GLY A 1 170 ? -39.461 -6.066  -21.668 1.00 9.72  ? 176 GLY B C   1 
ATOM   1453 O O   . GLY A 1 170 ? -39.235 -5.030  -22.265 1.00 9.56  ? 176 GLY B O   1 
ATOM   1454 N N   . PHE A 1 171 ? -40.674 -6.536  -21.453 1.00 10.10 ? 177 PHE B N   1 
ATOM   1455 C CA  . PHE A 1 171 ? -41.886 -5.699  -21.625 1.00 10.00 ? 177 PHE B CA  1 
ATOM   1456 C C   . PHE A 1 171 ? -41.940 -4.609  -20.574 1.00 9.69  ? 177 PHE B C   1 
ATOM   1457 O O   . PHE A 1 171 ? -41.231 -4.663  -19.555 1.00 9.72  ? 177 PHE B O   1 
ATOM   1458 C CB  . PHE A 1 171 ? -43.163 -6.550  -21.661 1.00 11.36 ? 177 PHE B CB  1 
ATOM   1459 C CG  . PHE A 1 171 ? -43.294 -7.424  -22.885 1.00 12.06 ? 177 PHE B CG  1 
ATOM   1460 C CD1 . PHE A 1 171 ? -43.647 -6.899  -24.113 1.00 14.11 ? 177 PHE B CD1 1 
ATOM   1461 C CD2 . PHE A 1 171 ? -43.043 -8.781  -22.819 1.00 13.69 ? 177 PHE B CD2 1 
ATOM   1462 C CE1 . PHE A 1 171 ? -43.740 -7.720  -25.238 1.00 15.09 ? 177 PHE B CE1 1 
ATOM   1463 C CE2 . PHE A 1 171 ? -43.145 -9.586  -23.958 1.00 14.37 ? 177 PHE B CE2 1 
ATOM   1464 C CZ  . PHE A 1 171 ? -43.530 -9.050  -25.128 1.00 15.54 ? 177 PHE B CZ  1 
ATOM   1465 N N   . ASN A 1 172 ? -42.804 -3.637  -20.820 1.00 10.30 ? 178 ASN B N   1 
ATOM   1466 C CA  . ASN A 1 172 ? -43.007 -2.550  -19.841 1.00 9.75  ? 178 ASN B CA  1 
ATOM   1467 C C   . ASN A 1 172 ? -44.520 -2.390  -19.641 1.00 10.06 ? 178 ASN B C   1 
ATOM   1468 O O   . ASN A 1 172 ? -45.034 -1.259  -19.658 1.00 11.47 ? 178 ASN B O   1 
ATOM   1469 C CB  . ASN A 1 172 ? -42.349 -1.261  -20.302 1.00 10.13 ? 178 ASN B CB  1 
ATOM   1470 C CG  . ASN A 1 172 ? -42.380 -0.181  -19.257 1.00 10.25 ? 178 ASN B CG  1 
ATOM   1471 O OD1 . ASN A 1 172 ? -42.421 -0.428  -18.065 1.00 10.63 ? 178 ASN B OD1 1 
ATOM   1472 N ND2 . ASN A 1 172 ? -42.291 1.051   -19.719 1.00 11.95 ? 178 ASN B ND2 1 
ATOM   1473 N N   . TYR A 1 173 ? -45.196 -3.446  -19.272 1.00 10.28 ? 179 TYR B N   1 
ATOM   1474 C CA  . TYR A 1 173 ? -46.633 -3.384  -18.888 1.00 10.03 ? 179 TYR B CA  1 
ATOM   1475 C C   . TYR A 1 173 ? -46.789 -2.601  -17.599 1.00 10.48 ? 179 TYR B C   1 
ATOM   1476 O O   . TYR A 1 173 ? -47.860 -1.944  -17.406 1.00 11.94 ? 179 TYR B O   1 
ATOM   1477 C CB  . TYR A 1 173 ? -47.215 -4.787  -18.683 1.00 10.82 ? 179 TYR B CB  1 
ATOM   1478 C CG  . TYR A 1 173 ? -47.287 -5.643  -19.919 1.00 13.27 ? 179 TYR B CG  1 
ATOM   1479 C CD1 . TYR A 1 173 ? -48.252 -5.423  -20.894 1.00 16.39 ? 179 TYR B CD1 1 
ATOM   1480 C CD2 . TYR A 1 173 ? -46.422 -6.711  -20.081 1.00 14.90 ? 179 TYR B CD2 1 
ATOM   1481 C CE1 . TYR A 1 173 ? -48.269 -6.176  -22.066 1.00 17.10 ? 179 TYR B CE1 1 
ATOM   1482 C CE2 . TYR A 1 173 ? -46.471 -7.506  -21.227 1.00 15.20 ? 179 TYR B CE2 1 
ATOM   1483 C CZ  . TYR A 1 173 ? -47.383 -7.214  -22.207 1.00 16.96 ? 179 TYR B CZ  1 
ATOM   1484 O OH  . TYR A 1 173 ? -47.488 -8.003  -23.331 1.00 23.20 ? 179 TYR B OH  1 
ATOM   1485 N N   . SER A 1 174 ? -45.840 -2.605  -16.668 1.00 10.08 ? 180 SER B N   1 
ATOM   1486 C CA  . SER A 1 174 ? -45.956 -1.998  -15.324 1.00 10.94 ? 180 SER B CA  1 
ATOM   1487 C C   . SER A 1 174 ? -45.668 -0.494  -15.364 1.00 11.05 ? 180 SER B C   1 
ATOM   1488 O O   . SER A 1 174 ? -46.020 0.201   -14.394 1.00 12.40 ? 180 SER B O   1 
ATOM   1489 C CB  . SER A 1 174 ? -45.004 -2.618  -14.372 1.00 11.45 ? 180 SER B CB  1 
ATOM   1490 O OG  . SER A 1 174 ? -43.653 -2.343  -14.815 1.00 11.70 ? 180 SER B OG  1 
ATOM   1491 N N   . GLY A 1 175 ? -45.007 0.019   -16.396 1.00 9.76  ? 181 GLY B N   1 
ATOM   1492 C CA  . GLY A 1 175 ? -44.482 1.391   -16.341 1.00 10.36 ? 181 GLY B CA  1 
ATOM   1493 C C   . GLY A 1 175 ? -43.239 1.523   -15.508 1.00 11.05 ? 181 GLY B C   1 
ATOM   1494 O O   . GLY A 1 175 ? -42.740 2.652   -15.388 1.00 13.49 ? 181 GLY B O   1 
ATOM   1495 N N   . GLY A 1 176 ? -42.704 0.450   -14.947 1.00 10.39 ? 182 GLY B N   1 
ATOM   1496 C CA  . GLY A 1 176 ? -41.502 0.469   -14.107 1.00 9.95  ? 182 GLY B CA  1 
ATOM   1497 C C   . GLY A 1 176 ? -40.288 -0.163  -14.795 1.00 10.69 ? 182 GLY B C   1 
ATOM   1498 O O   . GLY A 1 176 ? -39.240 -0.233  -14.125 1.00 12.30 ? 182 GLY B O   1 
ATOM   1499 N N   . ASN A 1 177 ? -40.372 -0.545  -16.048 1.00 9.25  ? 183 ASN B N   1 
ATOM   1500 C CA  . ASN A 1 177 ? -39.295 -1.269  -16.752 1.00 9.11  ? 183 ASN B CA  1 
ATOM   1501 C C   . ASN A 1 177 ? -38.856 -0.541  -18.015 1.00 9.28  ? 183 ASN B C   1 
ATOM   1502 O O   . ASN A 1 177 ? -38.307 -1.201  -18.904 1.00 10.66 ? 183 ASN B O   1 
ATOM   1503 C CB  . ASN A 1 177 ? -39.684 -2.715  -17.058 1.00 9.14  ? 183 ASN B CB  1 
ATOM   1504 C CG  . ASN A 1 177 ? -38.469 -3.574  -17.358 1.00 8.56  ? 183 ASN B CG  1 
ATOM   1505 O OD1 . ASN A 1 177 ? -37.423 -3.380  -16.741 1.00 9.84  ? 183 ASN B OD1 1 
ATOM   1506 N ND2 . ASN A 1 177 ? -38.622 -4.482  -18.304 1.00 9.05  ? 183 ASN B ND2 1 
ATOM   1507 N N   . ALA A 1 178 ? -38.943 0.782   -18.085 1.00 9.54  ? 184 ALA B N   1 
ATOM   1508 C CA  . ALA A 1 178 ? -38.542 1.530   -19.299 1.00 10.70 ? 184 ALA B CA  1 
ATOM   1509 C C   . ALA A 1 178 ? -37.027 1.649   -19.446 1.00 10.52 ? 184 ALA B C   1 
ATOM   1510 O O   . ALA A 1 178 ? -36.581 1.949   -20.560 1.00 11.96 ? 184 ALA B O   1 
ATOM   1511 C CB  . ALA A 1 178 ? -39.155 2.947   -19.283 1.00 11.12 ? 184 ALA B CB  1 
ATOM   1512 N N   . ALA A 1 179 ? -36.278 1.469   -18.369 1.00 9.87  ? 185 ALA B N   1 
ATOM   1513 C CA  . ALA A 1 179 ? -34.821 1.755   -18.430 1.00 10.15 ? 185 ALA B CA  1 
ATOM   1514 C C   . ALA A 1 179 ? -34.129 0.888   -19.491 1.00 10.12 ? 185 ALA B C   1 
ATOM   1515 O O   . ALA A 1 179 ? -34.507 -0.265  -19.763 1.00 10.02 ? 185 ALA B O   1 
ATOM   1516 C CB  . ALA A 1 179 ? -34.175 1.556   -17.088 1.00 10.50 ? 185 ALA B CB  1 
ATOM   1517 N N   . PRO A 1 180 ? -33.028 1.379   -20.078 1.00 10.14 ? 186 PRO B N   1 
ATOM   1518 C CA  . PRO A 1 180 ? -32.287 0.628   -21.090 1.00 10.23 ? 186 PRO B CA  1 
ATOM   1519 C C   . PRO A 1 180 ? -31.374 -0.478  -20.511 1.00 9.27  ? 186 PRO B C   1 
ATOM   1520 O O   . PRO A 1 180 ? -31.027 -0.458  -19.350 1.00 10.65 ? 186 PRO B O   1 
ATOM   1521 C CB  . PRO A 1 180 ? -31.386 1.705   -21.727 1.00 11.01 ? 186 PRO B CB  1 
ATOM   1522 C CG  . PRO A 1 180 ? -31.122 2.674   -20.617 1.00 12.93 ? 186 PRO B CG  1 
ATOM   1523 C CD  . PRO A 1 180 ? -32.453 2.728   -19.869 1.00 12.33 ? 186 PRO B CD  1 
ATOM   1524 N N   . LEU A 1 181 ? -30.983 -1.407  -21.375 1.00 9.87  ? 187 LEU B N   1 
ATOM   1525 C CA  . LEU A 1 181 ? -29.731 -2.189  -21.207 1.00 9.86  ? 187 LEU B CA  1 
ATOM   1526 C C   . LEU A 1 181 ? -28.602 -1.391  -21.840 1.00 9.48  ? 187 LEU B C   1 
ATOM   1527 O O   . LEU A 1 181 ? -28.773 -0.867  -22.958 1.00 11.99 ? 187 LEU B O   1 
ATOM   1528 C CB  . LEU A 1 181 ? -29.876 -3.549  -21.851 1.00 9.80  ? 187 LEU B CB  1 
ATOM   1529 C CG  . LEU A 1 181 ? -30.891 -4.495  -21.210 1.00 10.26 ? 187 LEU B CG  1 
ATOM   1530 C CD1 . LEU A 1 181 ? -31.075 -5.764  -22.037 1.00 11.26 ? 187 LEU B CD1 1 
ATOM   1531 C CD2 . LEU A 1 181 ? -30.536 -4.895  -19.788 1.00 11.52 ? 187 LEU B CD2 1 
ATOM   1532 N N   . LYS A 1 182 ? -27.457 -1.327  -21.170 1.00 9.92  ? 188 LYS B N   1 
ATOM   1533 C CA  . LYS A 1 182 ? -26.299 -0.569  -21.704 1.00 10.96 ? 188 LYS B CA  1 
ATOM   1534 C C   . LYS A 1 182 ? -25.074 -1.470  -21.675 1.00 11.14 ? 188 LYS B C   1 
ATOM   1535 O O   . LYS A 1 182 ? -24.722 -1.979  -20.586 1.00 11.86 ? 188 LYS B O   1 
ATOM   1536 C CB  . LYS A 1 182 ? -26.014 0.735   -20.948 1.00 12.88 ? 188 LYS B CB  1 
ATOM   1537 C CG  . LYS A 1 182 ? -27.174 1.690   -20.751 1.00 15.73 ? 188 LYS B CG  1 
ATOM   1538 C CD  . LYS A 1 182 ? -26.737 3.008   -20.107 1.00 19.40 ? 188 LYS B CD  1 
ATOM   1539 C CE  . LYS A 1 182 ? -27.861 3.925   -19.697 1.00 22.04 ? 188 LYS B CE  1 
ATOM   1540 N NZ  . LYS A 1 182 ? -27.295 5.064   -18.931 1.00 28.11 ? 188 LYS B NZ  1 
ATOM   1541 N N   . LEU A 1 183 ? -24.337 -1.542  -22.755 1.00 10.88 ? 189 LEU B N   1 
ATOM   1542 C CA  . LEU A 1 183 ? -22.997 -2.188  -22.749 1.00 11.16 ? 189 LEU B CA  1 
ATOM   1543 C C   . LEU A 1 183 ? -22.011 -1.232  -22.107 1.00 12.53 ? 189 LEU B C   1 
ATOM   1544 O O   . LEU A 1 183 ? -21.830 -0.099  -22.664 1.00 15.78 ? 189 LEU B O   1 
ATOM   1545 C CB  . LEU A 1 183 ? -22.634 -2.571  -24.182 1.00 11.72 ? 189 LEU B CB  1 
ATOM   1546 C CG  . LEU A 1 183 ? -23.389 -3.814  -24.666 1.00 12.68 ? 189 LEU B CG  1 
ATOM   1547 C CD1 . LEU A 1 183 ? -23.594 -3.885  -26.169 1.00 16.14 ? 189 LEU B CD1 1 
ATOM   1548 C CD2 . LEU A 1 183 ? -22.757 -5.094  -24.106 1.00 11.35 ? 189 LEU B CD2 1 
ATOM   1549 N N   . CYS A 1 184 ? -21.354 -1.692  -21.052 1.00 13.51 ? 190 CYS B N   1 
ATOM   1550 C CA  . CYS A 1 184 ? -20.444 -0.853  -20.228 1.00 16.65 ? 190 CYS B CA  1 
ATOM   1551 C C   . CYS A 1 184 ? -19.080 -0.780  -20.871 1.00 18.46 ? 190 CYS B C   1 
ATOM   1552 O O   . CYS A 1 184 ? -18.592 -1.743  -21.429 1.00 19.68 ? 190 CYS B O   1 
ATOM   1553 C CB  . CYS A 1 184 ? -20.126 -1.520  -18.904 1.00 19.12 ? 190 CYS B CB  1 
ATOM   1554 S SG  . CYS A 1 184 ? -21.551 -2.034  -17.962 1.00 20.04 ? 190 CYS B SG  1 
ATOM   1555 N N   . PRO A 1 185 ? -18.381 0.365   -20.719 1.00 23.67 ? 191 PRO B N   1 
ATOM   1556 C CA  . PRO A 1 185 ? -17.061 0.529   -21.297 1.00 29.38 ? 191 PRO B CA  1 
ATOM   1557 C C   . PRO A 1 185 ? -16.066 -0.384  -20.583 1.00 28.59 ? 191 PRO B C   1 
ATOM   1558 O O   . PRO A 1 185 ? -16.220 -0.628  -19.381 1.00 28.93 ? 191 PRO B O   1 
ATOM   1559 C CB  . PRO A 1 185 ? -16.775 2.028   -21.092 1.00 28.40 ? 191 PRO B CB  1 
ATOM   1560 C CG  . PRO A 1 185 ? -17.624 2.430   -19.925 1.00 28.87 ? 191 PRO B CG  1 
ATOM   1561 C CD  . PRO A 1 185 ? -18.867 1.574   -20.036 1.00 26.28 ? 191 PRO B CD  1 
ATOM   1562 N N   . LEU A 1 186 ? -15.125 -0.887  -21.382 1.00 34.98 ? 192 LEU B N   1 
ATOM   1563 C CA  . LEU A 1 186 ? -13.826 -1.517  -21.021 1.00 36.33 ? 192 LEU B CA  1 
ATOM   1564 C C   . LEU A 1 186 ? -13.016 -0.579  -20.123 1.00 41.94 ? 192 LEU B C   1 
ATOM   1565 O O   . LEU A 1 186 ? -12.183 -1.082  -19.360 1.00 48.11 ? 192 LEU B O   1 
ATOM   1566 C CB  . LEU A 1 186 ? -13.061 -1.785  -22.321 1.00 35.48 ? 192 LEU B CB  1 
HETATM 1567 C C1  . EDO B 2 .   ? -45.540 -3.434  -22.908 1.00 25.60 ? 201 EDO B C1  1 
HETATM 1568 O O1  . EDO B 2 .   ? -44.188 -3.124  -23.166 1.00 18.60 ? 201 EDO B O1  1 
HETATM 1569 C C2  . EDO B 2 .   ? -46.334 -3.967  -24.037 1.00 31.53 ? 201 EDO B C2  1 
HETATM 1570 O O2  . EDO B 2 .   ? -46.123 -3.276  -25.252 1.00 35.55 ? 201 EDO B O2  1 
HETATM 1571 N N1  A NUM C 3 .   ? -35.463 6.961   -19.518 0.38 40.59 ? 202 NUM B N1  1 
HETATM 1572 N N1  B NUM C 3 .   ? -34.760 5.774   -18.298 0.36 18.51 ? 202 NUM B N1  1 
HETATM 1573 C C4  A NUM C 3 .   ? -36.331 8.128   -22.996 0.38 36.98 ? 202 NUM B C4  1 
HETATM 1574 C C4  B NUM C 3 .   ? -36.844 6.592   -21.320 0.36 19.74 ? 202 NUM B C4  1 
HETATM 1575 C C5  A NUM C 3 .   ? -35.654 7.239   -21.973 0.38 38.42 ? 202 NUM B C5  1 
HETATM 1576 C C5  B NUM C 3 .   ? -35.919 5.773   -20.459 0.36 18.52 ? 202 NUM B C5  1 
HETATM 1577 C C6  A NUM C 3 .   ? -36.380 7.168   -20.640 0.38 39.47 ? 202 NUM B C6  1 
HETATM 1578 C C6  B NUM C 3 .   ? -35.725 6.471   -19.136 0.36 18.47 ? 202 NUM B C6  1 
HETATM 1579 C C7  A NUM C 3 .   ? -35.619 5.965   -18.640 0.38 38.86 ? 202 NUM B C7  1 
HETATM 1580 C C7  B NUM C 3 .   ? -33.484 6.132   -18.252 0.36 20.49 ? 202 NUM B C7  1 
HETATM 1581 C C8  A NUM C 3 .   ? -34.389 5.569   -17.854 0.38 35.83 ? 202 NUM B C8  1 
HETATM 1582 C C8  B NUM C 3 .   ? -32.615 5.337   -17.315 0.36 20.05 ? 202 NUM B C8  1 
HETATM 1583 C C10 A NUM C 3 .   ? -32.032 5.454   -17.612 0.38 34.66 ? 202 NUM B C10 1 
HETATM 1584 C C10 B NUM C 3 .   ? -32.295 3.963   -15.404 0.36 19.13 ? 202 NUM B C10 1 
HETATM 1585 C C13 A NUM C 3 .   ? -35.584 8.867   -23.901 0.38 35.76 ? 202 NUM B C13 1 
HETATM 1586 C C13 B NUM C 3 .   ? -38.206 6.356   -21.300 0.36 19.35 ? 202 NUM B C13 1 
HETATM 1587 C C1  A NUM C 3 .   ? -37.565 9.755   -24.915 0.38 34.49 ? 202 NUM B C1  1 
HETATM 1588 C C1  B NUM C 3 .   ? -38.594 8.163   -22.824 0.36 22.08 ? 202 NUM B C1  1 
HETATM 1589 C C11 A NUM C 3 .   ? -32.223 4.812   -16.409 0.38 34.35 ? 202 NUM B C11 1 
HETATM 1590 C C11 B NUM C 3 .   ? -30.951 3.964   -15.687 0.36 19.02 ? 202 NUM B C11 1 
HETATM 1591 C C12 A NUM C 3 .   ? -33.516 4.596   -15.981 0.38 32.60 ? 202 NUM B C12 1 
HETATM 1592 C C12 B NUM C 3 .   ? -30.506 4.673   -16.773 0.36 20.31 ? 202 NUM B C12 1 
HETATM 1593 C C14 A NUM C 3 .   ? -36.186 9.680   -24.850 0.38 35.53 ? 202 NUM B C14 1 
HETATM 1594 C C14 B NUM C 3 .   ? -39.081 7.121   -22.055 0.36 19.61 ? 202 NUM B C14 1 
HETATM 1595 C C2  A NUM C 3 .   ? -38.331 9.021   -24.028 0.38 35.95 ? 202 NUM B C2  1 
HETATM 1596 C C2  B NUM C 3 .   ? -37.238 8.440   -22.828 0.36 21.58 ? 202 NUM B C2  1 
HETATM 1597 C C3  A NUM C 3 .   ? -37.714 8.216   -23.083 0.38 36.88 ? 202 NUM B C3  1 
HETATM 1598 C C3  B NUM C 3 .   ? -36.378 7.655   -22.079 0.36 21.35 ? 202 NUM B C3  1 
HETATM 1599 C C9  A NUM C 3 .   ? -33.132 5.830   -18.356 0.38 35.91 ? 202 NUM B C9  1 
HETATM 1600 C C9  B NUM C 3 .   ? -33.152 4.667   -16.229 0.36 18.72 ? 202 NUM B C9  1 
HETATM 1601 N N2  A NUM C 3 .   ? -34.597 4.945   -16.686 0.38 34.88 ? 202 NUM B N2  1 
HETATM 1602 N N2  B NUM C 3 .   ? -31.306 5.377   -17.580 0.36 21.45 ? 202 NUM B N2  1 
HETATM 1603 O O1  A NUM C 3 .   ? -38.173 10.544  -25.844 0.38 34.71 ? 202 NUM B O1  1 
HETATM 1604 O O1  B NUM C 3 .   ? -39.446 8.933   -23.556 0.36 24.61 ? 202 NUM B O1  1 
HETATM 1605 O O2  A NUM C 3 .   ? -36.678 5.364   -18.467 0.38 44.04 ? 202 NUM B O2  1 
HETATM 1606 O O2  B NUM C 3 .   ? -32.997 7.052   -18.920 0.36 24.08 ? 202 NUM B O2  1 
HETATM 1607 C C1  . EDO D 2 .   ? -50.471 -17.012 -33.147 1.00 34.76 ? 203 EDO B C1  1 
HETATM 1608 O O1  . EDO D 2 .   ? -49.162 -16.464 -33.026 1.00 28.59 ? 203 EDO B O1  1 
HETATM 1609 C C2  . EDO D 2 .   ? -51.165 -17.123 -31.857 1.00 34.57 ? 203 EDO B C2  1 
HETATM 1610 O O2  . EDO D 2 .   ? -51.188 -15.895 -31.164 1.00 42.04 ? 203 EDO B O2  1 
HETATM 1611 S S   . SO4 E 4 .   ? -40.394 -24.559 -26.237 1.00 34.76 ? 204 SO4 B S   1 
HETATM 1612 O O1  . SO4 E 4 .   ? -39.691 -23.590 -27.029 1.00 23.60 ? 204 SO4 B O1  1 
HETATM 1613 O O2  . SO4 E 4 .   ? -41.309 -25.295 -27.062 1.00 42.73 ? 204 SO4 B O2  1 
HETATM 1614 O O3  . SO4 E 4 .   ? -39.434 -25.469 -25.650 1.00 40.12 ? 204 SO4 B O3  1 
HETATM 1615 O O4  . SO4 E 4 .   ? -41.127 -23.891 -25.175 1.00 37.77 ? 204 SO4 B O4  1 
HETATM 1616 O O   . HOH F 5 .   ? -26.888 -28.431 -27.824 1.00 20.45 ? 301 HOH B O   1 
HETATM 1617 O O   . HOH F 5 .   ? -22.664 -1.803  -9.727  1.00 24.72 ? 302 HOH B O   1 
HETATM 1618 O O   . HOH F 5 .   ? -38.566 -15.241 -11.570 1.00 30.22 ? 303 HOH B O   1 
HETATM 1619 O O   . HOH F 5 .   ? -40.084 -1.114  -9.829  1.00 25.74 ? 304 HOH B O   1 
HETATM 1620 O O   . HOH F 5 .   ? -29.529 -12.412 -37.778 1.00 20.28 ? 305 HOH B O   1 
HETATM 1621 O O   . HOH F 5 .   ? -45.593 3.692   -34.119 1.00 15.60 ? 306 HOH B O   1 
HETATM 1622 O O   . HOH F 5 .   ? -45.089 7.388   -24.603 1.00 34.44 ? 307 HOH B O   1 
HETATM 1623 O O   . HOH F 5 .   ? -18.657 -21.921 -35.778 1.00 15.29 ? 308 HOH B O   1 
HETATM 1624 O O   . HOH F 5 .   ? -38.047 2.828   -22.702 1.00 15.38 ? 309 HOH B O   1 
HETATM 1625 O O   . HOH F 5 .   ? -13.431 -23.487 -31.620 1.00 13.09 ? 310 HOH B O   1 
HETATM 1626 O O   . HOH F 5 .   ? -38.379 0.565   -11.826 1.00 33.29 ? 311 HOH B O   1 
HETATM 1627 O O   . HOH F 5 .   ? -12.635 -21.305 -18.667 1.00 25.56 ? 312 HOH B O   1 
HETATM 1628 O O   . HOH F 5 .   ? -47.053 -16.959 -31.580 1.00 21.32 ? 313 HOH B O   1 
HETATM 1629 O O   . HOH F 5 .   ? -47.226 1.334   -25.618 1.00 29.74 ? 314 HOH B O   1 
HETATM 1630 O O   . HOH F 5 .   ? -35.629 -19.170 -30.525 1.00 27.48 ? 315 HOH B O   1 
HETATM 1631 O O   . HOH F 5 .   ? -15.607 -5.414  -13.528 1.00 26.90 ? 316 HOH B O   1 
HETATM 1632 O O   . HOH F 5 .   ? -24.533 -30.970 -21.973 1.00 30.77 ? 317 HOH B O   1 
HETATM 1633 O O   . HOH F 5 .   ? -32.918 1.187   -33.427 1.00 19.08 ? 318 HOH B O   1 
HETATM 1634 O O   . HOH F 5 .   ? -41.269 -7.845  -3.366  1.00 45.36 ? 319 HOH B O   1 
HETATM 1635 O O   . HOH F 5 .   ? -35.901 -22.384 -19.573 1.00 23.24 ? 320 HOH B O   1 
HETATM 1636 O O   . HOH F 5 .   ? -19.526 -29.740 -15.535 1.00 26.84 ? 321 HOH B O   1 
HETATM 1637 O O   . HOH F 5 .   ? -36.913 -16.308 -39.315 1.00 24.97 ? 322 HOH B O   1 
HETATM 1638 O O   . HOH F 5 .   ? -30.737 -6.684  -11.271 1.00 12.90 ? 323 HOH B O   1 
HETATM 1639 O O   . HOH F 5 .   ? -11.030 -21.115 -25.194 1.00 27.86 ? 324 HOH B O   1 
HETATM 1640 O O   . HOH F 5 .   ? -32.903 -18.210 -37.179 1.00 30.14 ? 325 HOH B O   1 
HETATM 1641 O O   . HOH F 5 .   ? -45.478 0.114   -11.774 1.00 15.50 ? 326 HOH B O   1 
HETATM 1642 O O   . HOH F 5 .   ? -8.998  -13.550 -25.255 1.00 29.26 ? 327 HOH B O   1 
HETATM 1643 O O   . HOH F 5 .   ? -23.801 1.137   -10.699 1.00 32.13 ? 328 HOH B O   1 
HETATM 1644 O O   . HOH F 5 .   ? -40.870 -9.315  -36.713 1.00 27.62 ? 329 HOH B O   1 
HETATM 1645 O O   . HOH F 5 .   ? -37.959 -14.275 -21.504 1.00 30.03 ? 330 HOH B O   1 
HETATM 1646 O O   . HOH F 5 .   ? -25.846 -22.643 -35.700 1.00 23.60 ? 331 HOH B O   1 
HETATM 1647 O O   . HOH F 5 .   ? -23.210 4.362   -24.664 1.00 22.78 ? 332 HOH B O   1 
HETATM 1648 O O   . HOH F 5 .   ? -16.133 -19.614 -15.663 1.00 22.46 ? 333 HOH B O   1 
HETATM 1649 O O   . HOH F 5 .   ? -17.560 -21.318 -12.400 1.00 15.98 ? 334 HOH B O   1 
HETATM 1650 O O   . HOH F 5 .   ? -37.201 -25.626 -11.407 1.00 33.10 ? 335 HOH B O   1 
HETATM 1651 O O   . HOH F 5 .   ? -49.688 -1.705  -19.396 1.00 22.34 ? 336 HOH B O   1 
HETATM 1652 O O   . HOH F 5 .   ? -16.674 -5.645  -9.254  1.00 28.61 ? 337 HOH B O   1 
HETATM 1653 O O   . HOH F 5 .   ? -26.149 3.468   -35.247 1.00 29.83 ? 338 HOH B O   1 
HETATM 1654 O O   . HOH F 5 .   ? -45.618 -14.676 -27.511 1.00 38.79 ? 339 HOH B O   1 
HETATM 1655 O O   . HOH F 5 .   ? -31.118 8.860   -18.143 1.00 35.32 ? 340 HOH B O   1 
HETATM 1656 O O   . HOH F 5 .   ? -42.885 -15.334 -10.075 1.00 20.72 ? 341 HOH B O   1 
HETATM 1657 O O   . HOH F 5 .   ? -36.735 -25.946 -23.716 1.00 30.29 ? 342 HOH B O   1 
HETATM 1658 O O   . HOH F 5 .   ? -36.534 -23.074 -30.740 1.00 28.89 ? 343 HOH B O   1 
HETATM 1659 O O   . HOH F 5 .   ? -38.463 -7.605  -10.720 1.00 13.89 ? 344 HOH B O   1 
HETATM 1660 O O   . HOH F 5 .   ? -30.804 -20.276 -21.354 1.00 10.87 ? 345 HOH B O   1 
HETATM 1661 O O   . HOH F 5 .   ? -18.481 -4.622  -24.702 1.00 15.35 ? 346 HOH B O   1 
HETATM 1662 O O   . HOH F 5 .   ? -17.801 -19.847 -37.511 1.00 22.73 ? 347 HOH B O   1 
HETATM 1663 O O   . HOH F 5 .   ? -38.734 -2.439  -21.307 1.00 13.36 ? 348 HOH B O   1 
HETATM 1664 O O   . HOH F 5 .   ? -30.661 1.152   -17.012 1.00 18.62 ? 349 HOH B O   1 
HETATM 1665 O O   . HOH F 5 .   ? -40.651 -14.430 -8.418  1.00 27.74 ? 350 HOH B O   1 
HETATM 1666 O O   . HOH F 5 .   ? -26.531 -25.705 -16.408 1.00 15.79 ? 351 HOH B O   1 
HETATM 1667 O O   . HOH F 5 .   ? -34.046 -21.974 -31.365 1.00 16.77 ? 352 HOH B O   1 
HETATM 1668 O O   . HOH F 5 .   ? -38.425 3.831   -42.126 1.00 23.30 ? 353 HOH B O   1 
HETATM 1669 O O   . HOH F 5 .   ? -17.583 -27.615 -19.659 1.00 16.15 ? 354 HOH B O   1 
HETATM 1670 O O   . HOH F 5 .   ? -45.066 -12.266 -26.377 1.00 30.53 ? 355 HOH B O   1 
HETATM 1671 O O   . HOH F 5 .   ? -44.955 -7.803  -38.924 1.00 13.79 ? 356 HOH B O   1 
HETATM 1672 O O   . HOH F 5 .   ? -37.003 0.917   -15.491 1.00 14.71 ? 357 HOH B O   1 
HETATM 1673 O O   . HOH F 5 .   ? -40.233 -14.332 -31.342 1.00 13.60 ? 358 HOH B O   1 
HETATM 1674 O O   . HOH F 5 .   ? -13.443 -21.017 -35.153 1.00 28.02 ? 359 HOH B O   1 
HETATM 1675 O O   . HOH F 5 .   ? -30.202 -23.900 -34.065 1.00 20.46 ? 360 HOH B O   1 
HETATM 1676 O O   . HOH F 5 .   ? -28.363 -21.630 -8.963  1.00 16.17 ? 361 HOH B O   1 
HETATM 1677 O O   . HOH F 5 .   ? -41.717 1.511   -22.539 1.00 27.41 ? 362 HOH B O   1 
HETATM 1678 O O   . HOH F 5 .   ? -19.337 -4.332  -22.075 1.00 13.03 ? 363 HOH B O   1 
HETATM 1679 O O   . HOH F 5 .   ? -36.199 -1.756  -33.770 1.00 17.77 ? 364 HOH B O   1 
HETATM 1680 O O   . HOH F 5 .   ? -27.160 -20.301 -7.008  1.00 15.67 ? 365 HOH B O   1 
HETATM 1681 O O   . HOH F 5 .   ? -26.484 2.020   -10.977 1.00 23.70 ? 366 HOH B O   1 
HETATM 1682 O O   . HOH F 5 .   ? -19.121 -29.151 -23.477 1.00 22.21 ? 367 HOH B O   1 
HETATM 1683 O O   . HOH F 5 .   ? -26.727 -17.683 -7.765  1.00 14.30 ? 368 HOH B O   1 
HETATM 1684 O O   . HOH F 5 .   ? -20.920 -16.396 -5.510  1.00 15.82 ? 369 HOH B O   1 
HETATM 1685 O O   . HOH F 5 .   ? -25.730 -14.217 -3.062  1.00 26.16 ? 370 HOH B O   1 
HETATM 1686 O O   . HOH F 5 .   ? -32.210 -4.947  -12.911 1.00 11.42 ? 371 HOH B O   1 
HETATM 1687 O O   . HOH F 5 .   ? -9.401  -18.541 -30.154 1.00 41.32 ? 372 HOH B O   1 
HETATM 1688 O O   . HOH F 5 .   ? -36.482 -0.934  -22.055 1.00 12.14 ? 373 HOH B O   1 
HETATM 1689 O O   . HOH F 5 .   ? -23.250 2.310   -22.968 1.00 24.54 ? 374 HOH B O   1 
HETATM 1690 O O   . HOH F 5 .   ? -42.474 -5.756  -12.181 1.00 17.16 ? 375 HOH B O   1 
HETATM 1691 O O   . HOH F 5 .   ? -43.725 -0.564  -24.269 1.00 25.23 ? 376 HOH B O   1 
HETATM 1692 O O   . HOH F 5 .   ? -33.444 -1.805  -38.394 1.00 24.21 ? 377 HOH B O   1 
HETATM 1693 O O   . HOH F 5 .   ? -42.225 -3.834  -39.455 1.00 19.41 ? 378 HOH B O   1 
HETATM 1694 O O   . HOH F 5 .   ? -21.152 -5.889  -2.113  1.00 42.03 ? 379 HOH B O   1 
HETATM 1695 O O   . HOH F 5 .   ? -27.753 -27.510 -25.756 1.00 26.49 ? 380 HOH B O   1 
HETATM 1696 O O   . HOH F 5 .   ? -19.699 1.801   -30.460 1.00 29.06 ? 381 HOH B O   1 
HETATM 1697 O O   . HOH F 5 .   ? -12.671 -18.515 -34.727 1.00 31.87 ? 382 HOH B O   1 
HETATM 1698 O O   . HOH F 5 .   ? -10.248 -23.555 -21.859 1.00 28.01 ? 383 HOH B O   1 
HETATM 1699 O O   . HOH F 5 .   ? -45.627 -19.629 -31.615 1.00 23.57 ? 384 HOH B O   1 
HETATM 1700 O O   . HOH F 5 .   ? -35.508 -4.622  -42.156 1.00 21.94 ? 385 HOH B O   1 
HETATM 1701 O O   . HOH F 5 .   ? -45.876 -4.260  -33.854 1.00 17.55 ? 386 HOH B O   1 
HETATM 1702 O O   . HOH F 5 .   ? -35.481 -17.032 -8.153  1.00 31.02 ? 387 HOH B O   1 
HETATM 1703 O O   . HOH F 5 .   ? -17.951 -4.317  -5.926  1.00 35.51 ? 388 HOH B O   1 
HETATM 1704 O O   . HOH F 5 .   ? -36.537 -0.234  -42.320 1.00 31.40 ? 389 HOH B O   1 
HETATM 1705 O O   . HOH F 5 .   ? -35.774 -3.389  -10.038 1.00 47.64 ? 390 HOH B O   1 
HETATM 1706 O O   . HOH F 5 .   ? -9.336  -20.744 -28.844 1.00 27.66 ? 391 HOH B O   1 
HETATM 1707 O O   . HOH F 5 .   ? -25.269 -10.438 -23.555 1.00 11.30 ? 392 HOH B O   1 
HETATM 1708 O O   . HOH F 5 .   ? -18.281 -17.295 -36.360 1.00 24.92 ? 393 HOH B O   1 
HETATM 1709 O O   . HOH F 5 .   ? -23.739 -21.019 -38.871 1.00 21.02 ? 394 HOH B O   1 
HETATM 1710 O O   . HOH F 5 .   ? -14.958 -19.739 -37.568 1.00 22.73 ? 395 HOH B O   1 
HETATM 1711 O O   . HOH F 5 .   ? -41.403 -8.473  -13.224 1.00 17.66 ? 396 HOH B O   1 
HETATM 1712 O O   . HOH F 5 .   ? -40.934 -5.851  -38.005 1.00 30.77 ? 397 HOH B O   1 
HETATM 1713 O O   . HOH F 5 .   ? -23.999 -12.364 -6.521  1.00 16.35 ? 398 HOH B O   1 
HETATM 1714 O O   . HOH F 5 .   ? -33.288 -14.862 -6.970  1.00 19.70 ? 399 HOH B O   1 
HETATM 1715 O O   . HOH F 5 .   ? -24.798 -15.003 -6.826  1.00 14.34 ? 400 HOH B O   1 
HETATM 1716 O O   . HOH F 5 .   ? -9.286  -16.060 -26.535 1.00 26.18 ? 401 HOH B O   1 
HETATM 1717 O O   . HOH F 5 .   ? -31.480 3.523   -26.734 1.00 23.21 ? 402 HOH B O   1 
HETATM 1718 O O   . HOH F 5 .   ? -25.697 -26.949 -23.831 1.00 15.58 ? 403 HOH B O   1 
HETATM 1719 O O   . HOH F 5 .   ? -40.700 6.363   -33.112 1.00 28.01 ? 404 HOH B O   1 
HETATM 1720 O O   . HOH F 5 .   ? -24.869 -11.065 -4.110  1.00 21.51 ? 405 HOH B O   1 
HETATM 1721 O O   . HOH F 5 .   ? -13.210 -6.212  -29.159 1.00 28.64 ? 406 HOH B O   1 
HETATM 1722 O O   . HOH F 5 .   ? -52.353 -14.166 -29.082 1.00 41.74 ? 407 HOH B O   1 
HETATM 1723 O O   . HOH F 5 .   ? -34.001 -21.739 -36.652 1.00 38.36 ? 408 HOH B O   1 
HETATM 1724 O O   . HOH F 5 .   ? -18.024 -16.048 -6.136  1.00 20.22 ? 409 HOH B O   1 
HETATM 1725 O O   . HOH F 5 .   ? -28.689 7.937   -29.976 1.00 28.44 ? 410 HOH B O   1 
HETATM 1726 O O   . HOH F 5 .   ? -14.332 -16.444 -33.007 1.00 25.77 ? 411 HOH B O   1 
HETATM 1727 O O   . HOH F 5 .   ? -41.361 5.309   -28.376 1.00 24.78 ? 412 HOH B O   1 
HETATM 1728 O O   . HOH F 5 .   ? -39.906 -11.658 -22.672 1.00 29.51 ? 413 HOH B O   1 
HETATM 1729 O O   . HOH F 5 .   ? -17.848 -11.107 -35.609 1.00 23.33 ? 414 HOH B O   1 
HETATM 1730 O O   . HOH F 5 .   ? -16.039 -14.709 -8.619  1.00 29.03 ? 415 HOH B O   1 
HETATM 1731 O O   . HOH F 5 .   ? -40.326 -7.404  -34.575 1.00 21.85 ? 416 HOH B O   1 
HETATM 1732 O O   . HOH F 5 .   ? -34.599 -8.974  -6.051  1.00 40.70 ? 417 HOH B O   1 
HETATM 1733 O O   . HOH F 5 .   ? -42.351 -5.016  -43.711 1.00 19.31 ? 418 HOH B O   1 
HETATM 1734 O O   . HOH F 5 .   ? -24.963 7.086   -28.875 1.00 25.56 ? 419 HOH B O   1 
HETATM 1735 O O   . HOH F 5 .   ? -41.032 -8.749  -19.385 1.00 13.50 ? 420 HOH B O   1 
HETATM 1736 O O   . HOH F 5 .   ? -34.300 -7.219  -7.936  1.00 27.04 ? 421 HOH B O   1 
HETATM 1737 O O   . HOH F 5 .   ? -30.993 4.111   -24.293 1.00 23.39 ? 422 HOH B O   1 
HETATM 1738 O O   . HOH F 5 .   ? -43.351 3.791   -18.818 1.00 18.66 ? 423 HOH B O   1 
HETATM 1739 O O   . HOH F 5 .   ? -16.089 -11.988 -5.187  1.00 40.15 ? 424 HOH B O   1 
HETATM 1740 O O   . HOH F 5 .   ? -19.838 2.244   -23.976 1.00 33.25 ? 425 HOH B O   1 
HETATM 1741 O O   . HOH F 5 .   ? -43.729 -9.099  -36.662 1.00 35.48 ? 426 HOH B O   1 
HETATM 1742 O O   . HOH F 5 .   ? -24.332 -4.367  -36.985 1.00 31.25 ? 427 HOH B O   1 
HETATM 1743 O O   . HOH F 5 .   ? -16.005 -7.452  -11.374 1.00 25.41 ? 428 HOH B O   1 
HETATM 1744 O O   . HOH F 5 .   ? -36.681 -6.679  -8.880  1.00 28.31 ? 429 HOH B O   1 
HETATM 1745 O O   . HOH F 5 .   ? -47.681 0.000   -32.843 0.50 20.30 ? 430 HOH B O   1 
HETATM 1746 O O   . HOH F 5 .   ? -32.750 -23.593 -33.370 1.00 30.95 ? 431 HOH B O   1 
HETATM 1747 O O   . HOH F 5 .   ? -30.771 -17.371 -42.802 1.00 32.51 ? 432 HOH B O   1 
HETATM 1748 O O   . HOH F 5 .   ? -8.475  -22.994 -30.348 1.00 24.79 ? 433 HOH B O   1 
HETATM 1749 O O   . HOH F 5 .   ? -21.601 6.876   -32.306 1.00 25.69 ? 434 HOH B O   1 
HETATM 1750 O O   . HOH F 5 .   ? -26.244 -28.235 -21.441 1.00 32.89 ? 435 HOH B O   1 
HETATM 1751 O O   . HOH F 5 .   ? -22.702 3.425   -20.594 1.00 35.11 ? 436 HOH B O   1 
HETATM 1752 O O   . HOH F 5 .   ? -15.899 -22.272 -14.537 1.00 26.13 ? 437 HOH B O   1 
HETATM 1753 O O   . HOH F 5 .   ? -36.655 2.279   -43.225 1.00 35.19 ? 438 HOH B O   1 
HETATM 1754 O O   . HOH F 5 .   ? -28.305 -27.697 -16.880 1.00 21.72 ? 439 HOH B O   1 
HETATM 1755 O O   . HOH F 5 .   ? -16.121 -26.950 -17.237 1.00 33.66 ? 440 HOH B O   1 
HETATM 1756 O O   . HOH F 5 .   ? -26.383 -31.131 -23.944 1.00 24.80 ? 441 HOH B O   1 
HETATM 1757 O O   . HOH F 5 .   ? -42.166 -12.923 -22.302 1.00 29.10 ? 442 HOH B O   1 
# 
