data_7HO4
# 
_entry.id   7HO4 
# 
_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   7HO4         pdb_00007ho4 10.2210/pdb7ho4/pdb 
WWPDB D_1001407718 ?            ?                   
# 
_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                        7HO4 
_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 '2-(difluoromethoxy)benzene-1-sulfonamide' 223.197   1   ?        ? ? ? 
4 non-polymer syn 'SULFATE ION'                              96.063    1   ?        ? ? ? 
5 water       nat water                                      18.015    146 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;52 kDa Ro protein,52 kDa ribonucleoprotein autoantigen Ro/SS-A,Ro(SS-A),Sjoegren syndrome type A antigen,SS-A,Tripartite motif-containing protein 21
;
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_strand_id                 B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 1,2-ETHANEDIOL                             EDO 
3 '2-(difluoromethoxy)benzene-1-sulfonamide' LL0 
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 
LL0 non-polymer         . '2-(difluoromethoxy)benzene-1-sulfonamide' ?                 'C7 H7 F2 N O3 S' 223.197 
LYS 'L-peptide linking' y LYSINE                                     ?                 'C6 H15 N2 O2 1'  147.195 
MET 'L-peptide linking' y METHIONINE                                 ?                 'C5 H11 N O2 S'   149.211 
PHE 'L-peptide linking' y PHENYLALANINE                              ?                 'C9 H11 N O2'     165.189 
PRO 'L-peptide linking' y PROLINE                                    ?                 'C5 H9 N O2'      115.130 
SER 'L-peptide linking' y SERINE                                     ?                 'C3 H7 N O3'      105.093 
SO4 non-polymer         . 'SULFATE ION'                              ?                 'O4 S -2'         96.063  
THR 'L-peptide linking' y THREONINE                                  ?                 'C4 H9 N O3'      119.119 
TRP 'L-peptide linking' y TRYPTOPHAN                                 ?                 'C11 H12 N2 O2'   204.225 
TYR 'L-peptide linking' y TYROSINE                                   ?                 'C9 H11 N O3'     181.189 
VAL 'L-peptide linking' y VALINE                                     ?                 'C5 H11 N O2'     117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   MET 1   7   ?   ?   ?   B . n 
A 1 2   HIS 2   8   8   HIS HIS B . n 
A 1 3   HIS 3   9   9   HIS HIS B . n 
A 1 4   HIS 4   10  10  HIS HIS B . n 
A 1 5   HIS 5   11  11  HIS HIS B . n 
A 1 6   HIS 6   12  12  HIS HIS B . n 
A 1 7   HIS 7   13  13  HIS HIS B . n 
A 1 8   MET 8   14  14  MET MET B . n 
A 1 9   VAL 9   15  15  VAL VAL B . n 
A 1 10  HIS 10  16  16  HIS HIS B . n 
A 1 11  ILE 11  17  17  ILE ILE B . n 
A 1 12  THR 12  18  18  THR THR B . n 
A 1 13  LEU 13  19  19  LEU LEU B . n 
A 1 14  ASP 14  20  20  ASP ASP B . n 
A 1 15  ARG 15  21  21  ARG ARG B . n 
A 1 16  ASN 16  22  22  ASN ASN B . n 
A 1 17  THR 17  23  23  THR THR B . n 
A 1 18  ALA 18  24  24  ALA ALA B . n 
A 1 19  ASN 19  25  25  ASN ASN B . n 
A 1 20  SER 20  26  26  SER SER B . n 
A 1 21  TRP 21  27  27  TRP TRP B . n 
A 1 22  LEU 22  28  28  LEU LEU B . n 
A 1 23  ILE 23  29  29  ILE ILE B . n 
A 1 24  ILE 24  30  30  ILE ILE B . n 
A 1 25  SER 25  31  31  SER SER B . n 
A 1 26  LYS 26  32  32  LYS LYS B . n 
A 1 27  ASP 27  33  33  ASP ASP B . n 
A 1 28  ARG 28  34  34  ARG ARG B . n 
A 1 29  ARG 29  35  35  ARG ARG B . n 
A 1 30  GLN 30  36  36  GLN GLN B . n 
A 1 31  VAL 31  37  37  VAL VAL B . n 
A 1 32  ARG 32  38  38  ARG ARG B . n 
A 1 33  MET 33  39  39  MET MET B . n 
A 1 34  GLY 34  40  40  GLY GLY B . n 
A 1 35  ASP 35  41  41  ASP ASP B . n 
A 1 36  THR 36  42  42  THR THR B . n 
A 1 37  HIS 37  43  43  HIS HIS B . n 
A 1 38  GLN 38  44  44  GLN GLN B . n 
A 1 39  ASN 39  45  45  ASN ASN B . n 
A 1 40  VAL 40  46  46  VAL VAL B . n 
A 1 41  SER 41  47  47  SER SER B . n 
A 1 42  ASP 42  48  48  ASP ASP B . n 
A 1 43  ASN 43  49  49  ASN ASN B . n 
A 1 44  LYS 44  50  50  LYS LYS B . n 
A 1 45  GLU 45  51  51  GLU GLU B . n 
A 1 46  ARG 46  52  52  ARG ARG B . n 
A 1 47  PHE 47  53  53  PHE PHE B . n 
A 1 48  SER 48  54  54  SER SER B . n 
A 1 49  ASN 49  55  55  ASN ASN B . n 
A 1 50  TYR 50  56  56  TYR TYR B . n 
A 1 51  PRO 51  57  57  PRO PRO B . n 
A 1 52  MET 52  58  58  MET MET B . n 
A 1 53  VAL 53  59  59  VAL VAL B . n 
A 1 54  LEU 54  60  60  LEU LEU B . n 
A 1 55  GLY 55  61  61  GLY GLY B . n 
A 1 56  ALA 56  62  62  ALA ALA B . n 
A 1 57  GLN 57  63  63  GLN GLN B . n 
A 1 58  ARG 58  64  64  ARG ARG B . n 
A 1 59  PHE 59  65  65  PHE PHE B . n 
A 1 60  SER 60  66  66  SER SER B . n 
A 1 61  SER 61  67  67  SER SER B . n 
A 1 62  GLY 62  68  68  GLY GLY B . n 
A 1 63  LYS 63  69  69  LYS LYS B . n 
A 1 64  MET 64  70  70  MET MET B . n 
A 1 65  TYR 65  71  71  TYR TYR B . n 
A 1 66  TRP 66  72  72  TRP TRP B . n 
A 1 67  GLU 67  73  73  GLU GLU B . n 
A 1 68  VAL 68  74  74  VAL VAL B . n 
A 1 69  ASP 69  75  75  ASP ASP B . n 
A 1 70  VAL 70  76  76  VAL VAL B . n 
A 1 71  THR 71  77  77  THR THR B . n 
A 1 72  GLN 72  78  78  GLN GLN B . n 
A 1 73  LYS 73  79  79  LYS LYS B . n 
A 1 74  GLU 74  80  80  GLU GLU B . n 
A 1 75  ALA 75  81  81  ALA ALA B . n 
A 1 76  TRP 76  82  82  TRP TRP B . n 
A 1 77  ASP 77  83  83  ASP ASP B . n 
A 1 78  LEU 78  84  84  LEU LEU B . n 
A 1 79  GLY 79  85  85  GLY GLY B . n 
A 1 80  VAL 80  86  86  VAL VAL B . n 
A 1 81  CYS 81  87  87  CYS CYS B . n 
A 1 82  ARG 82  88  88  ARG ARG B . n 
A 1 83  ASP 83  89  89  ASP ASP B . n 
A 1 84  SER 84  90  90  SER SER B . n 
A 1 85  VAL 85  91  91  VAL VAL B . n 
A 1 86  GLN 86  92  92  GLN GLN B . n 
A 1 87  ARG 87  93  93  ARG ARG B . n 
A 1 88  LYS 88  94  94  LYS LYS B . n 
A 1 89  GLY 89  95  95  GLY GLY B . n 
A 1 90  GLN 90  96  96  GLN GLN B . n 
A 1 91  PHE 91  97  97  PHE PHE B . n 
A 1 92  SER 92  98  98  SER SER B . n 
A 1 93  LEU 93  99  99  LEU LEU B . n 
A 1 94  SER 94  100 100 SER SER B . n 
A 1 95  PRO 95  101 101 PRO PRO B . n 
A 1 96  GLU 96  102 102 GLU GLU B . n 
A 1 97  ASN 97  103 103 ASN ASN B . n 
A 1 98  GLY 98  104 104 GLY GLY B . n 
A 1 99  PHE 99  105 105 PHE PHE B . n 
A 1 100 TRP 100 106 106 TRP TRP B . n 
A 1 101 THR 101 107 107 THR THR B . n 
A 1 102 ILE 102 108 108 ILE ILE B . n 
A 1 103 TRP 103 109 109 TRP TRP B . n 
A 1 104 LEU 104 110 110 LEU LEU B . n 
A 1 105 TRP 105 111 111 TRP TRP B . n 
A 1 106 GLN 106 112 112 GLN GLN B . n 
A 1 107 ASP 107 113 113 ASP ASP B . n 
A 1 108 SER 108 114 114 SER SER B . n 
A 1 109 TYR 109 115 115 TYR TYR B . n 
A 1 110 GLU 110 116 116 GLU GLU B . n 
A 1 111 ALA 111 117 117 ALA ALA B . n 
A 1 112 GLY 112 118 118 GLY GLY B . n 
A 1 113 THR 113 119 119 THR THR B . n 
A 1 114 SER 114 120 120 SER SER B . n 
A 1 115 PRO 115 121 121 PRO PRO B . n 
A 1 116 GLN 116 122 122 GLN GLN B . n 
A 1 117 THR 117 123 123 THR THR B . n 
A 1 118 THR 118 124 124 THR THR B . n 
A 1 119 LEU 119 125 125 LEU LEU B . n 
A 1 120 HIS 120 126 126 HIS HIS B . n 
A 1 121 ILE 121 127 127 ILE ILE B . n 
A 1 122 GLN 122 128 128 GLN GLN B . n 
A 1 123 VAL 123 129 129 VAL VAL B . n 
A 1 124 PRO 124 130 130 PRO PRO B . n 
A 1 125 PRO 125 131 131 PRO PRO B . n 
A 1 126 CYS 126 132 132 CYS CYS B . n 
A 1 127 GLN 127 133 133 GLN GLN B . n 
A 1 128 ILE 128 134 134 ILE ILE B . n 
A 1 129 GLY 129 135 135 GLY GLY B . n 
A 1 130 ILE 130 136 136 ILE ILE B . n 
A 1 131 PHE 131 137 137 PHE PHE B . n 
A 1 132 VAL 132 138 138 VAL VAL B . n 
A 1 133 ASP 133 139 139 ASP ASP B . n 
A 1 134 TYR 134 140 140 TYR TYR B . n 
A 1 135 GLU 135 141 141 GLU GLU B . n 
A 1 136 ALA 136 142 142 ALA ALA B . n 
A 1 137 GLY 137 143 143 GLY GLY B . n 
A 1 138 VAL 138 144 144 VAL VAL B . n 
A 1 139 VAL 139 145 145 VAL VAL B . n 
A 1 140 SER 140 146 146 SER SER B . n 
A 1 141 PHE 141 147 147 PHE PHE B . n 
A 1 142 TYR 142 148 148 TYR TYR B . n 
A 1 143 ASN 143 149 149 ASN ASN B . n 
A 1 144 ILE 144 150 150 ILE ILE B . n 
A 1 145 THR 145 151 151 THR THR B . n 
A 1 146 ASP 146 152 152 ASP ASP B . n 
A 1 147 HIS 147 153 153 HIS HIS B . n 
A 1 148 GLY 148 154 154 GLY GLY B . n 
A 1 149 SER 149 155 155 SER SER B . n 
A 1 150 LEU 150 156 156 LEU LEU B . n 
A 1 151 ILE 151 157 157 ILE ILE B . n 
A 1 152 TYR 152 158 158 TYR TYR B . n 
A 1 153 THR 153 159 159 THR THR B . n 
A 1 154 PHE 154 160 160 PHE PHE B . n 
A 1 155 SER 155 161 161 SER SER B . n 
A 1 156 GLU 156 162 162 GLU GLU B . n 
A 1 157 CYS 157 163 163 CYS CYS B . n 
A 1 158 VAL 158 164 164 VAL VAL B . n 
A 1 159 PHE 159 165 165 PHE PHE B . n 
A 1 160 ALA 160 166 166 ALA ALA B . n 
A 1 161 GLY 161 167 167 GLY GLY B . n 
A 1 162 PRO 162 168 168 PRO PRO B . n 
A 1 163 LEU 163 169 169 LEU LEU B . n 
A 1 164 ARG 164 170 170 ARG ARG B . n 
A 1 165 PRO 165 171 171 PRO PRO B . n 
A 1 166 PHE 166 172 172 PHE PHE B . n 
A 1 167 PHE 167 173 173 PHE PHE B . n 
A 1 168 ASN 168 174 174 ASN ASN B . n 
A 1 169 VAL 169 175 175 VAL VAL B . n 
A 1 170 GLY 170 176 176 GLY GLY B . n 
A 1 171 PHE 171 177 177 PHE PHE B . n 
A 1 172 ASN 172 178 178 ASN ASN B . n 
A 1 173 TYR 173 179 179 TYR TYR B . n 
A 1 174 SER 174 180 180 SER SER B . n 
A 1 175 GLY 175 181 181 GLY GLY B . n 
A 1 176 GLY 176 182 182 GLY GLY B . n 
A 1 177 ASN 177 183 183 ASN ASN B . n 
A 1 178 ALA 178 184 184 ALA ALA B . n 
A 1 179 ALA 179 185 185 ALA ALA B . n 
A 1 180 PRO 180 186 186 PRO PRO B . n 
A 1 181 LEU 181 187 187 LEU LEU B . n 
A 1 182 LYS 182 188 188 LYS LYS B . n 
A 1 183 LEU 183 189 189 LEU LEU B . n 
A 1 184 CYS 184 190 190 CYS CYS B . n 
A 1 185 PRO 185 191 191 PRO PRO B . n 
A 1 186 LEU 186 192 192 LEU LEU B . n 
A 1 187 LYS 187 193 ?   ?   ?   B . n 
A 1 188 MET 188 194 ?   ?   ?   B . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        LL0 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   LL0 
_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 LL0 1   202 302 LL0 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 29  HOH HOH B . 
F 5 HOH 2   302 4   HOH HOH B . 
F 5 HOH 3   303 2   HOH HOH B . 
F 5 HOH 4   304 11  HOH HOH B . 
F 5 HOH 5   305 12  HOH HOH B . 
F 5 HOH 6   306 33  HOH HOH B . 
F 5 HOH 7   307 63  HOH HOH B . 
F 5 HOH 8   308 21  HOH HOH B . 
F 5 HOH 9   309 40  HOH HOH B . 
F 5 HOH 10  310 1   HOH HOH B . 
F 5 HOH 11  311 9   HOH HOH B . 
F 5 HOH 12  312 99  HOH HOH B . 
F 5 HOH 13  313 26  HOH HOH B . 
F 5 HOH 14  314 27  HOH HOH B . 
F 5 HOH 15  315 102 HOH HOH B . 
F 5 HOH 16  316 95  HOH HOH B . 
F 5 HOH 17  317 5   HOH HOH B . 
F 5 HOH 18  318 34  HOH HOH B . 
F 5 HOH 19  319 25  HOH HOH B . 
F 5 HOH 20  320 16  HOH HOH B . 
F 5 HOH 21  321 51  HOH HOH B . 
F 5 HOH 22  322 90  HOH HOH B . 
F 5 HOH 23  323 10  HOH HOH B . 
F 5 HOH 24  324 129 HOH HOH B . 
F 5 HOH 25  325 11  HOH HOH B . 
F 5 HOH 26  326 68  HOH HOH B . 
F 5 HOH 27  327 86  HOH HOH B . 
F 5 HOH 28  328 100 HOH HOH B . 
F 5 HOH 29  329 157 HOH HOH B . 
F 5 HOH 30  330 18  HOH HOH B . 
F 5 HOH 31  331 31  HOH HOH B . 
F 5 HOH 32  332 36  HOH HOH B . 
F 5 HOH 33  333 72  HOH HOH B . 
F 5 HOH 34  334 39  HOH HOH B . 
F 5 HOH 35  335 2   HOH HOH B . 
F 5 HOH 36  336 16  HOH HOH B . 
F 5 HOH 37  337 80  HOH HOH B . 
F 5 HOH 38  338 70  HOH HOH B . 
F 5 HOH 39  339 267 HOH HOH B . 
F 5 HOH 40  340 89  HOH HOH B . 
F 5 HOH 41  341 20  HOH HOH B . 
F 5 HOH 42  342 28  HOH HOH B . 
F 5 HOH 43  343 22  HOH HOH B . 
F 5 HOH 44  344 81  HOH HOH B . 
F 5 HOH 45  345 126 HOH HOH B . 
F 5 HOH 46  346 7   HOH HOH B . 
F 5 HOH 47  347 211 HOH HOH B . 
F 5 HOH 48  348 26  HOH HOH B . 
F 5 HOH 49  349 62  HOH HOH B . 
F 5 HOH 50  350 55  HOH HOH B . 
F 5 HOH 51  351 58  HOH HOH B . 
F 5 HOH 52  352 66  HOH HOH B . 
F 5 HOH 53  353 29  HOH HOH B . 
F 5 HOH 54  354 27  HOH HOH B . 
F 5 HOH 55  355 6   HOH HOH B . 
F 5 HOH 56  356 10  HOH HOH B . 
F 5 HOH 57  357 50  HOH HOH B . 
F 5 HOH 58  358 93  HOH HOH B . 
F 5 HOH 59  359 184 HOH HOH B . 
F 5 HOH 60  360 1   HOH HOH B . 
F 5 HOH 61  361 4   HOH HOH B . 
F 5 HOH 62  362 15  HOH HOH B . 
F 5 HOH 63  363 19  HOH HOH B . 
F 5 HOH 64  364 116 HOH HOH B . 
F 5 HOH 65  365 47  HOH HOH B . 
F 5 HOH 66  366 73  HOH HOH B . 
F 5 HOH 67  367 61  HOH HOH B . 
F 5 HOH 68  368 59  HOH HOH B . 
F 5 HOH 69  369 8   HOH HOH B . 
F 5 HOH 70  370 25  HOH HOH B . 
F 5 HOH 71  371 304 HOH HOH B . 
F 5 HOH 72  372 3   HOH HOH B . 
F 5 HOH 73  373 43  HOH HOH B . 
F 5 HOH 74  374 3   HOH HOH B . 
F 5 HOH 75  375 71  HOH HOH B . 
F 5 HOH 76  376 13  HOH HOH B . 
F 5 HOH 77  377 17  HOH HOH B . 
F 5 HOH 78  378 85  HOH HOH B . 
F 5 HOH 79  379 48  HOH HOH B . 
F 5 HOH 80  380 264 HOH HOH B . 
F 5 HOH 81  381 46  HOH HOH B . 
F 5 HOH 82  382 82  HOH HOH B . 
F 5 HOH 83  383 76  HOH HOH B . 
F 5 HOH 84  384 32  HOH HOH B . 
F 5 HOH 85  385 137 HOH HOH B . 
F 5 HOH 86  386 156 HOH HOH B . 
F 5 HOH 87  387 14  HOH HOH B . 
F 5 HOH 88  388 24  HOH HOH B . 
F 5 HOH 89  389 97  HOH HOH B . 
F 5 HOH 90  390 172 HOH HOH B . 
F 5 HOH 91  391 214 HOH HOH B . 
F 5 HOH 92  392 64  HOH HOH B . 
F 5 HOH 93  393 60  HOH HOH B . 
F 5 HOH 94  394 45  HOH HOH B . 
F 5 HOH 95  395 303 HOH HOH B . 
F 5 HOH 96  396 125 HOH HOH B . 
F 5 HOH 97  397 18  HOH HOH B . 
F 5 HOH 98  398 56  HOH HOH B . 
F 5 HOH 99  399 32  HOH HOH B . 
F 5 HOH 100 400 12  HOH HOH B . 
F 5 HOH 101 401 281 HOH HOH B . 
F 5 HOH 102 402 30  HOH HOH B . 
F 5 HOH 103 403 23  HOH HOH B . 
F 5 HOH 104 404 8   HOH HOH B . 
F 5 HOH 105 405 7   HOH HOH B . 
F 5 HOH 106 406 49  HOH HOH B . 
F 5 HOH 107 407 54  HOH HOH B . 
F 5 HOH 108 408 22  HOH HOH B . 
F 5 HOH 109 409 33  HOH HOH B . 
F 5 HOH 110 410 42  HOH HOH B . 
F 5 HOH 111 411 154 HOH HOH B . 
F 5 HOH 112 412 57  HOH HOH B . 
F 5 HOH 113 413 20  HOH HOH B . 
F 5 HOH 114 414 38  HOH HOH B . 
F 5 HOH 115 415 257 HOH HOH B . 
F 5 HOH 116 416 140 HOH HOH B . 
F 5 HOH 117 417 120 HOH HOH B . 
F 5 HOH 118 418 15  HOH HOH B . 
F 5 HOH 119 419 263 HOH HOH B . 
F 5 HOH 120 420 41  HOH HOH B . 
F 5 HOH 121 421 103 HOH HOH B . 
F 5 HOH 122 422 53  HOH HOH B . 
F 5 HOH 123 423 5   HOH HOH B . 
F 5 HOH 124 424 112 HOH HOH B . 
F 5 HOH 125 425 69  HOH HOH B . 
F 5 HOH 126 426 44  HOH HOH B . 
F 5 HOH 127 427 19  HOH HOH B . 
F 5 HOH 128 428 107 HOH HOH B . 
F 5 HOH 129 429 197 HOH HOH B . 
F 5 HOH 130 430 30  HOH HOH B . 
F 5 HOH 131 431 133 HOH HOH B . 
F 5 HOH 132 432 114 HOH HOH B . 
F 5 HOH 133 433 266 HOH HOH B . 
F 5 HOH 134 434 23  HOH HOH B . 
F 5 HOH 135 435 115 HOH HOH B . 
F 5 HOH 136 436 13  HOH HOH B . 
F 5 HOH 137 437 21  HOH HOH B . 
F 5 HOH 138 438 98  HOH HOH B . 
F 5 HOH 139 439 104 HOH HOH B . 
F 5 HOH 140 440 166 HOH HOH B . 
F 5 HOH 141 441 127 HOH HOH B . 
F 5 HOH 142 442 205 HOH HOH B . 
F 5 HOH 143 443 14  HOH HOH B . 
F 5 HOH 144 444 270 HOH HOH B . 
F 5 HOH 145 445 131 HOH HOH B . 
F 5 HOH 146 446 259 HOH HOH B . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 B LEU 192 ? CG  ? A LEU 186 CG  
2 1 Y 1 B LEU 192 ? CD1 ? A LEU 186 CD1 
3 1 Y 1 B LEU 192 ? CD2 ? A LEU 186 CD2 
# 
loop_
_software.pdbx_ordinal 
_software.name 
_software.version 
_software.date 
_software.type 
_software.contact_author 
_software.contact_author_email 
_software.classification 
_software.location 
_software.language 
_software.citation_id 
1 REFMAC      5.8.0267 ?               program 'Garib N. Murshudov' garib@ysbl.york.ac.uk    refinement        
http://www.ccp4.ac.uk/dist/html/refmac5.html        Fortran_77 ? 
2 Aimless     0.7.7    23/04/21        program 'Phil Evans'         ?                        'data scaling'    
http://www.mrc-lmb.cam.ac.uk/harry/pre/aimless.html ?          ? 
3 PDB_EXTRACT 3.23     'SEP. 23, 2016' package PDB                  deposit@deposit.rcsb.org 'data extraction' 
http://sw-tools.pdb.org/apps/PDB_EXTRACT/           C++        ? 
4 XDS         .        ?               program ?                    ?                        'data reduction'  ? ?          ? 
5 REFMAC      .        ?               program ?                    ?                        phasing           ? ?          ? 
# 
_cell.entry_id           7HO4 
_cell.length_a           95.307 
_cell.length_b           95.307 
_cell.length_c           45.701 
_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                         7HO4 
_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          7HO4 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.40 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   48.81 
_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                     7HO4 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             67.380 
_reflns.d_resolution_high            1.210 
_reflns.number_obs                   58889 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         94.300 
_reflns.pdbx_Rmerge_I_obs            0.061 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        21.200 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              9.900 
_reflns.pdbx_Rrim_I_all              0.063 
_reflns.pdbx_Rpim_I_all              0.018 
_reflns.pdbx_CC_half                 1.000 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     583600 
_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 1.210 1.230  ? 3052 1700 ? 0.890 ? ? ? 1.800  ? 0.600   ? ? ? ? ? ? 55.800 1.177 0.761 0.328 
1 2 6.630 67.380 ? 5180 414  ? 0.035 ? ? ? 12.500 ? 106.900 ? ? ? ? ? ? 99.900 0.037 0.011 0.999 
# 
_refine.entry_id                                 7HO4 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.2100 
_refine.ls_d_res_low                             67.3900 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    93.7800 
_refine.ls_number_reflns_obs                     55852 
_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                          0.1762 
_refine.ls_R_factor_R_work                       0.1752 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.1941 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.8000 
_refine.ls_number_reflns_R_free                  2842 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               15.0950 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.0700 
_refine.aniso_B[2][2]                            0.0700 
_refine.aniso_B[3][3]                            -0.1300 
_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               0.9710 
_refine.correlation_coeff_Fo_to_Fc_free          0.9630 
_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                  0.0450 
_refine.overall_SU_ML                            0.0340 
_refine.overall_SU_B                             0.8080 
_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                                67.720 
_refine.B_iso_min                                7.340 
_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                       1.2100 
_refine_hist.d_res_low                        67.3900 
_refine_hist.pdbx_number_atoms_ligand         27 
_refine_hist.number_atoms_solvent             146 
_refine_hist.number_atoms_total               1666 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           44.70 
_refine_hist.pdbx_B_iso_mean_solvent          25.26 
_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       1985 0.013  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1594 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2506 1.876  1.636  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3677 1.445  1.581  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 235  7.168  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 107  27.622 21.215 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 285  11.369 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   22.115 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         221  0.083  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2216 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     494  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            946  1.299  1.299  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         942  1.278  1.290  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1129 2.060  1.945  ? ? 
# 
_refine_ls_shell.d_res_high                       1.2100 
_refine_ls_shell.d_res_low                        1.2410 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               54.5400 
_refine_ls_shell.number_reflns_R_work             2392 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3290 
_refine_ls_shell.R_factor_R_free                  0.3000 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             117 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                2509 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HO4 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1003146540' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HO4 
_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              7HO4 
_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 7HO4 MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HO4 HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HO4 HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HO4 HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HO4 HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HO4 HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HO4 HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HO4 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       -0.75 
# 
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                   7HO4 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             CG 
_pdbx_validate_rmsd_angle.auth_asym_id_1             B 
_pdbx_validate_rmsd_angle.auth_comp_id_1             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_1              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CD 
_pdbx_validate_rmsd_angle.auth_asym_id_2             B 
_pdbx_validate_rmsd_angle.auth_comp_id_2             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_2              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             NE 
_pdbx_validate_rmsd_angle.auth_asym_id_3             B 
_pdbx_validate_rmsd_angle.auth_comp_id_3             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_3              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                128.36 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            16.56 
_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  ? ? 72.35   36.34 
2 1 GLN B 78  ? ? 59.90   15.63 
3 1 ASP B 152 ? ? -102.07 52.02 
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    B 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     432 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   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 
LL0 N1   N N N 215 
LL0 C4   C Y N 216 
LL0 C5   C Y N 217 
LL0 C6   C Y N 218 
LL0 C7   C N N 219 
LL0 S1   S N N 220 
LL0 O1   O N N 221 
LL0 O2   O N N 222 
LL0 C1   C Y N 223 
LL0 C2   C Y N 224 
LL0 C3   C Y N 225 
LL0 O3   O N N 226 
LL0 F1   F N N 227 
LL0 F2   F N N 228 
LL0 H1   H N N 229 
LL0 H2   H N N 230 
LL0 H3   H N N 231 
LL0 H4   H N N 232 
LL0 H5   H N N 233 
LL0 H6   H N N 234 
LL0 H7   H N N 235 
LYS N    N N N 236 
LYS CA   C N S 237 
LYS C    C N N 238 
LYS O    O N N 239 
LYS CB   C N N 240 
LYS CG   C N N 241 
LYS CD   C N N 242 
LYS CE   C N N 243 
LYS NZ   N N N 244 
LYS OXT  O N N 245 
LYS H    H N N 246 
LYS H2   H N N 247 
LYS HA   H N N 248 
LYS HB2  H N N 249 
LYS HB3  H N N 250 
LYS HG2  H N N 251 
LYS HG3  H N N 252 
LYS HD2  H N N 253 
LYS HD3  H N N 254 
LYS HE2  H N N 255 
LYS HE3  H N N 256 
LYS HZ1  H N N 257 
LYS HZ2  H N N 258 
LYS HZ3  H N N 259 
LYS HXT  H N N 260 
MET N    N N N 261 
MET CA   C N S 262 
MET C    C N N 263 
MET O    O N N 264 
MET CB   C N N 265 
MET CG   C N N 266 
MET SD   S N N 267 
MET CE   C N N 268 
MET OXT  O N N 269 
MET H    H N N 270 
MET H2   H N N 271 
MET HA   H N N 272 
MET HB2  H N N 273 
MET HB3  H N N 274 
MET HG2  H N N 275 
MET HG3  H N N 276 
MET HE1  H N N 277 
MET HE2  H N N 278 
MET HE3  H N N 279 
MET HXT  H N N 280 
PHE N    N N N 281 
PHE CA   C N S 282 
PHE C    C N N 283 
PHE O    O N N 284 
PHE CB   C N N 285 
PHE CG   C Y N 286 
PHE CD1  C Y N 287 
PHE CD2  C Y N 288 
PHE CE1  C Y N 289 
PHE CE2  C Y N 290 
PHE CZ   C Y N 291 
PHE OXT  O N N 292 
PHE H    H N N 293 
PHE H2   H N N 294 
PHE HA   H N N 295 
PHE HB2  H N N 296 
PHE HB3  H N N 297 
PHE HD1  H N N 298 
PHE HD2  H N N 299 
PHE HE1  H N N 300 
PHE HE2  H N N 301 
PHE HZ   H N N 302 
PHE HXT  H N N 303 
PRO N    N N N 304 
PRO CA   C N S 305 
PRO C    C N N 306 
PRO O    O N N 307 
PRO CB   C N N 308 
PRO CG   C N N 309 
PRO CD   C N N 310 
PRO OXT  O N N 311 
PRO H    H N N 312 
PRO HA   H N N 313 
PRO HB2  H N N 314 
PRO HB3  H N N 315 
PRO HG2  H N N 316 
PRO HG3  H N N 317 
PRO HD2  H N N 318 
PRO HD3  H N N 319 
PRO HXT  H N N 320 
SER N    N N N 321 
SER CA   C N S 322 
SER C    C N N 323 
SER O    O N N 324 
SER CB   C N N 325 
SER OG   O N N 326 
SER OXT  O N N 327 
SER H    H N N 328 
SER H2   H N N 329 
SER HA   H N N 330 
SER HB2  H N N 331 
SER HB3  H N N 332 
SER HG   H N N 333 
SER HXT  H N N 334 
SO4 S    S N N 335 
SO4 O1   O N N 336 
SO4 O2   O N N 337 
SO4 O3   O N N 338 
SO4 O4   O N N 339 
THR N    N N N 340 
THR CA   C N S 341 
THR C    C N N 342 
THR O    O N N 343 
THR CB   C N R 344 
THR OG1  O N N 345 
THR CG2  C N N 346 
THR OXT  O N N 347 
THR H    H N N 348 
THR H2   H N N 349 
THR HA   H N N 350 
THR HB   H N N 351 
THR HG1  H N N 352 
THR HG21 H N N 353 
THR HG22 H N N 354 
THR HG23 H N N 355 
THR HXT  H N N 356 
TRP N    N N N 357 
TRP CA   C N S 358 
TRP C    C N N 359 
TRP O    O N N 360 
TRP CB   C N N 361 
TRP CG   C Y N 362 
TRP CD1  C Y N 363 
TRP CD2  C Y N 364 
TRP NE1  N Y N 365 
TRP CE2  C Y N 366 
TRP CE3  C Y N 367 
TRP CZ2  C Y N 368 
TRP CZ3  C Y N 369 
TRP CH2  C Y N 370 
TRP OXT  O N N 371 
TRP H    H N N 372 
TRP H2   H N N 373 
TRP HA   H N N 374 
TRP HB2  H N N 375 
TRP HB3  H N N 376 
TRP HD1  H N N 377 
TRP HE1  H N N 378 
TRP HE3  H N N 379 
TRP HZ2  H N N 380 
TRP HZ3  H N N 381 
TRP HH2  H N N 382 
TRP HXT  H N N 383 
TYR N    N N N 384 
TYR CA   C N S 385 
TYR C    C N N 386 
TYR O    O N N 387 
TYR CB   C N N 388 
TYR CG   C Y N 389 
TYR CD1  C Y N 390 
TYR CD2  C Y N 391 
TYR CE1  C Y N 392 
TYR CE2  C Y N 393 
TYR CZ   C Y N 394 
TYR OH   O N N 395 
TYR OXT  O N N 396 
TYR H    H N N 397 
TYR H2   H N N 398 
TYR HA   H N N 399 
TYR HB2  H N N 400 
TYR HB3  H N N 401 
TYR HD1  H N N 402 
TYR HD2  H N N 403 
TYR HE1  H N N 404 
TYR HE2  H N N 405 
TYR HH   H N N 406 
TYR HXT  H N N 407 
VAL N    N N N 408 
VAL CA   C N S 409 
VAL C    C N N 410 
VAL O    O N N 411 
VAL CB   C N N 412 
VAL CG1  C N N 413 
VAL CG2  C N N 414 
VAL OXT  O N N 415 
VAL H    H N N 416 
VAL H2   H N N 417 
VAL HA   H N N 418 
VAL HB   H N N 419 
VAL HG11 H N N 420 
VAL HG12 H N N 421 
VAL HG13 H N N 422 
VAL HG21 H N N 423 
VAL HG22 H N N 424 
VAL HG23 H N N 425 
VAL HXT  H N N 426 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
EDO C1  O1   sing N N 83  
EDO C1  C2   sing N N 84  
EDO C1  H11  sing N N 85  
EDO C1  H12  sing N N 86  
EDO O1  HO1  sing N N 87  
EDO C2  O2   sing N N 88  
EDO C2  H21  sing N N 89  
EDO C2  H22  sing N N 90  
EDO O2  HO2  sing N N 91  
GLN N   CA   sing N N 92  
GLN N   H    sing N N 93  
GLN N   H2   sing N N 94  
GLN CA  C    sing N N 95  
GLN CA  CB   sing N N 96  
GLN CA  HA   sing N N 97  
GLN C   O    doub N N 98  
GLN C   OXT  sing N N 99  
GLN CB  CG   sing N N 100 
GLN CB  HB2  sing N N 101 
GLN CB  HB3  sing N N 102 
GLN CG  CD   sing N N 103 
GLN CG  HG2  sing N N 104 
GLN CG  HG3  sing N N 105 
GLN CD  OE1  doub N N 106 
GLN CD  NE2  sing N N 107 
GLN NE2 HE21 sing N N 108 
GLN NE2 HE22 sing N N 109 
GLN OXT HXT  sing N N 110 
GLU N   CA   sing N N 111 
GLU N   H    sing N N 112 
GLU N   H2   sing N N 113 
GLU CA  C    sing N N 114 
GLU CA  CB   sing N N 115 
GLU CA  HA   sing N N 116 
GLU C   O    doub N N 117 
GLU C   OXT  sing N N 118 
GLU CB  CG   sing N N 119 
GLU CB  HB2  sing N N 120 
GLU CB  HB3  sing N N 121 
GLU CG  CD   sing N N 122 
GLU CG  HG2  sing N N 123 
GLU CG  HG3  sing N N 124 
GLU CD  OE1  doub N N 125 
GLU CD  OE2  sing N N 126 
GLU OE2 HE2  sing N N 127 
GLU OXT HXT  sing N N 128 
GLY N   CA   sing N N 129 
GLY N   H    sing N N 130 
GLY N   H2   sing N N 131 
GLY CA  C    sing N N 132 
GLY CA  HA2  sing N N 133 
GLY CA  HA3  sing N N 134 
GLY C   O    doub N N 135 
GLY C   OXT  sing N N 136 
GLY OXT HXT  sing N N 137 
HIS N   CA   sing N N 138 
HIS N   H    sing N N 139 
HIS N   H2   sing N N 140 
HIS CA  C    sing N N 141 
HIS CA  CB   sing N N 142 
HIS CA  HA   sing N N 143 
HIS C   O    doub N N 144 
HIS C   OXT  sing N N 145 
HIS CB  CG   sing N N 146 
HIS CB  HB2  sing N N 147 
HIS CB  HB3  sing N N 148 
HIS CG  ND1  sing Y N 149 
HIS CG  CD2  doub Y N 150 
HIS ND1 CE1  doub Y N 151 
HIS ND1 HD1  sing N N 152 
HIS CD2 NE2  sing Y N 153 
HIS CD2 HD2  sing N N 154 
HIS CE1 NE2  sing Y N 155 
HIS CE1 HE1  sing N N 156 
HIS NE2 HE2  sing N N 157 
HIS OXT HXT  sing N N 158 
HOH O   H1   sing N N 159 
HOH O   H2   sing N N 160 
ILE N   CA   sing N N 161 
ILE N   H    sing N N 162 
ILE N   H2   sing N N 163 
ILE CA  C    sing N N 164 
ILE CA  CB   sing N N 165 
ILE CA  HA   sing N N 166 
ILE C   O    doub N N 167 
ILE C   OXT  sing N N 168 
ILE CB  CG1  sing N N 169 
ILE CB  CG2  sing N N 170 
ILE CB  HB   sing N N 171 
ILE CG1 CD1  sing N N 172 
ILE CG1 HG12 sing N N 173 
ILE CG1 HG13 sing N N 174 
ILE CG2 HG21 sing N N 175 
ILE CG2 HG22 sing N N 176 
ILE CG2 HG23 sing N N 177 
ILE CD1 HD11 sing N N 178 
ILE CD1 HD12 sing N N 179 
ILE CD1 HD13 sing N N 180 
ILE OXT HXT  sing N N 181 
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 
LL0 O1  S1   doub N N 203 
LL0 C2  C3   doub Y N 204 
LL0 C2  C1   sing Y N 205 
LL0 O2  S1   doub N N 206 
LL0 S1  C1   sing N N 207 
LL0 S1  N1   sing N N 208 
LL0 C3  C4   sing Y N 209 
LL0 C1  C6   doub Y N 210 
LL0 C4  C5   doub Y N 211 
LL0 C6  C5   sing Y N 212 
LL0 C6  O3   sing N N 213 
LL0 C7  F1   sing N N 214 
LL0 C7  O3   sing N N 215 
LL0 C7  F2   sing N N 216 
LL0 N1  H1   sing N N 217 
LL0 N1  H2   sing N N 218 
LL0 C4  H3   sing N N 219 
LL0 C5  H4   sing N N 220 
LL0 C7  H5   sing N N 221 
LL0 C2  H6   sing N N 222 
LL0 C3  H7   sing N N 223 
LYS N   CA   sing N N 224 
LYS N   H    sing N N 225 
LYS N   H2   sing N N 226 
LYS CA  C    sing N N 227 
LYS CA  CB   sing N N 228 
LYS CA  HA   sing N N 229 
LYS C   O    doub N N 230 
LYS C   OXT  sing N N 231 
LYS CB  CG   sing N N 232 
LYS CB  HB2  sing N N 233 
LYS CB  HB3  sing N N 234 
LYS CG  CD   sing N N 235 
LYS CG  HG2  sing N N 236 
LYS CG  HG3  sing N N 237 
LYS CD  CE   sing N N 238 
LYS CD  HD2  sing N N 239 
LYS CD  HD3  sing N N 240 
LYS CE  NZ   sing N N 241 
LYS CE  HE2  sing N N 242 
LYS CE  HE3  sing N N 243 
LYS NZ  HZ1  sing N N 244 
LYS NZ  HZ2  sing N N 245 
LYS NZ  HZ3  sing N N 246 
LYS OXT HXT  sing N N 247 
MET N   CA   sing N N 248 
MET N   H    sing N N 249 
MET N   H2   sing N N 250 
MET CA  C    sing N N 251 
MET CA  CB   sing N N 252 
MET CA  HA   sing N N 253 
MET C   O    doub N N 254 
MET C   OXT  sing N N 255 
MET CB  CG   sing N N 256 
MET CB  HB2  sing N N 257 
MET CB  HB3  sing N N 258 
MET CG  SD   sing N N 259 
MET CG  HG2  sing N N 260 
MET CG  HG3  sing N N 261 
MET SD  CE   sing N N 262 
MET CE  HE1  sing N N 263 
MET CE  HE2  sing N N 264 
MET CE  HE3  sing N N 265 
MET OXT HXT  sing N N 266 
PHE N   CA   sing N N 267 
PHE N   H    sing N N 268 
PHE N   H2   sing N N 269 
PHE CA  C    sing N N 270 
PHE CA  CB   sing N N 271 
PHE CA  HA   sing N N 272 
PHE C   O    doub N N 273 
PHE C   OXT  sing N N 274 
PHE CB  CG   sing N N 275 
PHE CB  HB2  sing N N 276 
PHE CB  HB3  sing N N 277 
PHE CG  CD1  doub Y N 278 
PHE CG  CD2  sing Y N 279 
PHE CD1 CE1  sing Y N 280 
PHE CD1 HD1  sing N N 281 
PHE CD2 CE2  doub Y N 282 
PHE CD2 HD2  sing N N 283 
PHE CE1 CZ   doub Y N 284 
PHE CE1 HE1  sing N N 285 
PHE CE2 CZ   sing Y N 286 
PHE CE2 HE2  sing N N 287 
PHE CZ  HZ   sing N N 288 
PHE OXT HXT  sing N N 289 
PRO N   CA   sing N N 290 
PRO N   CD   sing N N 291 
PRO N   H    sing N N 292 
PRO CA  C    sing N N 293 
PRO CA  CB   sing N N 294 
PRO CA  HA   sing N N 295 
PRO C   O    doub N N 296 
PRO C   OXT  sing N N 297 
PRO CB  CG   sing N N 298 
PRO CB  HB2  sing N N 299 
PRO CB  HB3  sing N N 300 
PRO CG  CD   sing N N 301 
PRO CG  HG2  sing N N 302 
PRO CG  HG3  sing N N 303 
PRO CD  HD2  sing N N 304 
PRO CD  HD3  sing N N 305 
PRO OXT HXT  sing N N 306 
SER N   CA   sing N N 307 
SER N   H    sing N N 308 
SER N   H2   sing N N 309 
SER CA  C    sing N N 310 
SER CA  CB   sing N N 311 
SER CA  HA   sing N N 312 
SER C   O    doub N N 313 
SER C   OXT  sing N N 314 
SER CB  OG   sing N N 315 
SER CB  HB2  sing N N 316 
SER CB  HB3  sing N N 317 
SER OG  HG   sing N N 318 
SER OXT HXT  sing N N 319 
SO4 S   O1   doub N N 320 
SO4 S   O2   doub N N 321 
SO4 S   O3   sing N N 322 
SO4 S   O4   sing N N 323 
THR N   CA   sing N N 324 
THR N   H    sing N N 325 
THR N   H2   sing N N 326 
THR CA  C    sing N N 327 
THR CA  CB   sing N N 328 
THR CA  HA   sing N N 329 
THR C   O    doub N N 330 
THR C   OXT  sing N N 331 
THR CB  OG1  sing N N 332 
THR CB  CG2  sing N N 333 
THR CB  HB   sing N N 334 
THR OG1 HG1  sing N N 335 
THR CG2 HG21 sing N N 336 
THR CG2 HG22 sing N N 337 
THR CG2 HG23 sing N N 338 
THR OXT HXT  sing N N 339 
TRP N   CA   sing N N 340 
TRP N   H    sing N N 341 
TRP N   H2   sing N N 342 
TRP CA  C    sing N N 343 
TRP CA  CB   sing N N 344 
TRP CA  HA   sing N N 345 
TRP C   O    doub N N 346 
TRP C   OXT  sing N N 347 
TRP CB  CG   sing N N 348 
TRP CB  HB2  sing N N 349 
TRP CB  HB3  sing N N 350 
TRP CG  CD1  doub Y N 351 
TRP CG  CD2  sing Y N 352 
TRP CD1 NE1  sing Y N 353 
TRP CD1 HD1  sing N N 354 
TRP CD2 CE2  doub Y N 355 
TRP CD2 CE3  sing Y N 356 
TRP NE1 CE2  sing Y N 357 
TRP NE1 HE1  sing N N 358 
TRP CE2 CZ2  sing Y N 359 
TRP CE3 CZ3  doub Y N 360 
TRP CE3 HE3  sing N N 361 
TRP CZ2 CH2  doub Y N 362 
TRP CZ2 HZ2  sing N N 363 
TRP CZ3 CH2  sing Y N 364 
TRP CZ3 HZ3  sing N N 365 
TRP CH2 HH2  sing N N 366 
TRP OXT HXT  sing N N 367 
TYR N   CA   sing N N 368 
TYR N   H    sing N N 369 
TYR N   H2   sing N N 370 
TYR CA  C    sing N N 371 
TYR CA  CB   sing N N 372 
TYR CA  HA   sing N N 373 
TYR C   O    doub N N 374 
TYR C   OXT  sing N N 375 
TYR CB  CG   sing N N 376 
TYR CB  HB2  sing N N 377 
TYR CB  HB3  sing N N 378 
TYR CG  CD1  doub Y N 379 
TYR CG  CD2  sing Y N 380 
TYR CD1 CE1  sing Y N 381 
TYR CD1 HD1  sing N N 382 
TYR CD2 CE2  doub Y N 383 
TYR CD2 HD2  sing N N 384 
TYR CE1 CZ   doub Y N 385 
TYR CE1 HE1  sing N N 386 
TYR CE2 CZ   sing Y N 387 
TYR CE2 HE2  sing N N 388 
TYR CZ  OH   sing N N 389 
TYR OH  HH   sing N N 390 
TYR OXT HXT  sing N N 391 
VAL N   CA   sing N N 392 
VAL N   H    sing N N 393 
VAL N   H2   sing N N 394 
VAL CA  C    sing N N 395 
VAL CA  CB   sing N N 396 
VAL CA  HA   sing N N 397 
VAL C   O    doub N N 398 
VAL C   OXT  sing N N 399 
VAL CB  CG1  sing N N 400 
VAL CB  CG2  sing N N 401 
VAL CB  HB   sing N N 402 
VAL CG1 HG11 sing N N 403 
VAL CG1 HG12 sing N N 404 
VAL CG1 HG13 sing N N 405 
VAL CG2 HG21 sing N N 406 
VAL CG2 HG22 sing N N 407 
VAL CG2 HG23 sing N N 408 
VAL OXT HXT  sing N N 409 
# 
_pdbx_audit_support.ordinal                1 
_pdbx_audit_support.funding_organization   'European Union (EU)' 
_pdbx_audit_support.grant_number           875510 
_pdbx_audit_support.country                'European Union' 
# 
_pdbx_deposit_group.group_id            G_1002320 
_pdbx_deposit_group.group_description   
;PRYSPRY domain of murine TRIM21 screened against the DSI-poised Fragment Library by X-ray Crystallography at the XChem facility of Diamon Light Source
;
_pdbx_deposit_group.group_title         'PanDDA analysis group deposition' 
_pdbx_deposit_group.group_type          'changed state' 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   2VOK 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    7HO4 
_atom_sites.fract_transf_matrix[1][1]   0.010492 
_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]   0.010492 
_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]   0.021881 
_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 
F 
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   ? -13.314 -12.645 -9.825  1.00 58.25 ? 8   HIS B N   1 
ATOM   2    C CA  . HIS A 1 2   ? -12.790 -13.337 -11.056 1.00 53.28 ? 8   HIS B CA  1 
ATOM   3    C C   . HIS A 1 2   ? -11.654 -12.508 -11.673 1.00 51.51 ? 8   HIS B C   1 
ATOM   4    O O   . HIS A 1 2   ? -11.497 -11.319 -11.287 1.00 54.35 ? 8   HIS B O   1 
ATOM   5    C CB  . HIS A 1 2   ? -13.929 -13.600 -12.065 1.00 46.35 ? 8   HIS B CB  1 
ATOM   6    C CG  . HIS A 1 2   ? -14.477 -12.369 -12.715 1.00 41.75 ? 8   HIS B CG  1 
ATOM   7    N ND1 . HIS A 1 2   ? -13.900 -11.813 -13.845 1.00 41.88 ? 8   HIS B ND1 1 
ATOM   8    C CD2 . HIS A 1 2   ? -15.542 -11.591 -12.417 1.00 38.97 ? 8   HIS B CD2 1 
ATOM   9    C CE1 . HIS A 1 2   ? -14.579 -10.736 -14.204 1.00 39.49 ? 8   HIS B CE1 1 
ATOM   10   N NE2 . HIS A 1 2   ? -15.591 -10.566 -13.336 1.00 33.48 ? 8   HIS B NE2 1 
ATOM   11   N N   . HIS A 1 3   ? -10.928 -13.100 -12.625 1.00 45.87 ? 9   HIS B N   1 
ATOM   12   C CA  . HIS A 1 3   ? -9.786  -12.481 -13.351 1.00 46.12 ? 9   HIS B CA  1 
ATOM   13   C C   . HIS A 1 3   ? -9.970  -12.631 -14.872 1.00 39.71 ? 9   HIS B C   1 
ATOM   14   O O   . HIS A 1 3   ? -8.960  -12.835 -15.574 1.00 40.72 ? 9   HIS B O   1 
ATOM   15   C CB  . HIS A 1 3   ? -8.474  -13.069 -12.794 1.00 54.36 ? 9   HIS B CB  1 
ATOM   16   C CG  . HIS A 1 3   ? -8.322  -12.828 -11.323 1.00 62.97 ? 9   HIS B CG  1 
ATOM   17   N ND1 . HIS A 1 3   ? -8.005  -11.581 -10.802 1.00 65.31 ? 9   HIS B ND1 1 
ATOM   18   C CD2 . HIS A 1 3   ? -8.481  -13.648 -10.259 1.00 67.58 ? 9   HIS B CD2 1 
ATOM   19   C CE1 . HIS A 1 3   ? -7.963  -11.650 -9.485  1.00 66.62 ? 9   HIS B CE1 1 
ATOM   20   N NE2 . HIS A 1 3   ? -8.246  -12.910 -9.127  1.00 67.72 ? 9   HIS B NE2 1 
ATOM   21   N N   . HIS A 1 4   ? -11.209 -12.473 -15.374 1.00 34.31 ? 10  HIS B N   1 
ATOM   22   C CA  . HIS A 1 4   ? -11.607 -12.671 -16.801 1.00 27.78 ? 10  HIS B CA  1 
ATOM   23   C C   . HIS A 1 4   ? -11.596 -11.335 -17.555 1.00 27.64 ? 10  HIS B C   1 
ATOM   24   O O   . HIS A 1 4   ? -11.735 -11.352 -18.784 1.00 23.95 ? 10  HIS B O   1 
ATOM   25   C CB  . HIS A 1 4   ? -13.010 -13.301 -16.913 1.00 27.28 ? 10  HIS B CB  1 
ATOM   26   C CG  . HIS A 1 4   ? -13.123 -14.661 -16.318 1.00 27.65 ? 10  HIS B CG  1 
ATOM   27   N ND1 . HIS A 1 4   ? -12.229 -15.685 -16.613 1.00 26.45 ? 10  HIS B ND1 1 
ATOM   28   C CD2 . HIS A 1 4   ? -14.044 -15.193 -15.484 1.00 26.22 ? 10  HIS B CD2 1 
ATOM   29   C CE1 . HIS A 1 4   ? -12.591 -16.777 -15.974 1.00 31.84 ? 10  HIS B CE1 1 
ATOM   30   N NE2 . HIS A 1 4   ? -13.695 -16.499 -15.278 1.00 30.97 ? 10  HIS B NE2 1 
ATOM   31   N N   . HIS A 1 5   ? -11.418 -10.214 -16.853 1.00 29.49 ? 11  HIS B N   1 
ATOM   32   C CA  . HIS A 1 5   ? -11.529 -8.839  -17.409 1.00 31.38 ? 11  HIS B CA  1 
ATOM   33   C C   . HIS A 1 5   ? -10.644 -8.639  -18.650 1.00 29.74 ? 11  HIS B C   1 
ATOM   34   O O   . HIS A 1 5   ? -11.111 -7.938  -19.573 1.00 31.07 ? 11  HIS B O   1 
ATOM   35   C CB  . HIS A 1 5   ? -11.222 -7.786  -16.327 1.00 37.30 ? 11  HIS B CB  1 
ATOM   36   C CG  . HIS A 1 5   ? -12.095 -7.905  -15.122 1.00 44.23 ? 11  HIS B CG  1 
ATOM   37   N ND1 . HIS A 1 5   ? -11.741 -8.678  -14.022 1.00 50.83 ? 11  HIS B ND1 1 
ATOM   38   C CD2 . HIS A 1 5   ? -13.306 -7.369  -14.837 1.00 47.22 ? 11  HIS B CD2 1 
ATOM   39   C CE1 . HIS A 1 5   ? -12.697 -8.608  -13.108 1.00 49.98 ? 11  HIS B CE1 1 
ATOM   40   N NE2 . HIS A 1 5   ? -13.672 -7.813  -13.587 1.00 48.57 ? 11  HIS B NE2 1 
ATOM   41   N N   . HIS A 1 6   ? -9.443  -9.243  -18.718 1.00 28.14 ? 12  HIS B N   1 
ATOM   42   C CA  . HIS A 1 6   ? -8.483  -9.097  -19.850 1.00 27.83 ? 12  HIS B CA  1 
ATOM   43   C C   . HIS A 1 6   ? -8.987  -9.728  -21.159 1.00 26.38 ? 12  HIS B C   1 
ATOM   44   O O   . HIS A 1 6   ? -8.372  -9.473  -22.199 1.00 27.31 ? 12  HIS B O   1 
ATOM   45   C CB  . HIS A 1 6   ? -7.101  -9.667  -19.485 1.00 33.56 ? 12  HIS B CB  1 
ATOM   46   C CG  . HIS A 1 6   ? -7.098  -11.101 -19.080 1.00 33.09 ? 12  HIS B CG  1 
ATOM   47   N ND1 . HIS A 1 6   ? -6.519  -12.097 -19.863 1.00 38.65 ? 12  HIS B ND1 1 
ATOM   48   C CD2 . HIS A 1 6   ? -7.552  -11.718 -17.965 1.00 35.17 ? 12  HIS B CD2 1 
ATOM   49   C CE1 . HIS A 1 6   ? -6.632  -13.257 -19.252 1.00 32.90 ? 12  HIS B CE1 1 
ATOM   50   N NE2 . HIS A 1 6   ? -7.273  -13.059 -18.089 1.00 38.53 ? 12  HIS B NE2 1 
ATOM   51   N N   . HIS A 1 7   ? -10.038 -10.560 -21.143 1.00 21.10 ? 13  HIS B N   1 
ATOM   52   C CA  . HIS A 1 7   ? -10.701 -11.093 -22.371 1.00 18.59 ? 13  HIS B CA  1 
ATOM   53   C C   . HIS A 1 7   ? -11.802 -10.156 -22.852 1.00 16.53 ? 13  HIS B C   1 
ATOM   54   O O   . HIS A 1 7   ? -12.629 -10.615 -23.639 1.00 15.22 ? 13  HIS B O   1 
ATOM   55   C CB  . HIS A 1 7   ? -11.255 -12.476 -22.092 1.00 17.76 ? 13  HIS B CB  1 
ATOM   56   C CG  . HIS A 1 7   ? -10.190 -13.443 -21.682 1.00 18.34 ? 13  HIS B CG  1 
ATOM   57   N ND1 . HIS A 1 7   ? -9.173  -13.794 -22.547 1.00 18.74 ? 13  HIS B ND1 1 
ATOM   58   C CD2 . HIS A 1 7   ? -10.026 -14.141 -20.545 1.00 20.05 ? 13  HIS B CD2 1 
ATOM   59   C CE1 . HIS A 1 7   ? -8.374  -14.633 -21.905 1.00 19.23 ? 13  HIS B CE1 1 
ATOM   60   N NE2 . HIS A 1 7   ? -8.873  -14.891 -20.706 1.00 21.31 ? 13  HIS B NE2 1 
ATOM   61   N N   . MET A 1 8   ? -11.857 -8.935  -22.335 1.00 16.91 ? 14  MET B N   1 
ATOM   62   C CA  . MET A 1 8   ? -12.911 -7.946  -22.675 1.00 18.69 ? 14  MET B CA  1 
ATOM   63   C C   . MET A 1 8   ? -13.000 -7.785  -24.188 1.00 18.46 ? 14  MET B C   1 
ATOM   64   O O   . MET A 1 8   ? -11.951 -7.645  -24.907 1.00 21.02 ? 14  MET B O   1 
ATOM   65   C CB  . MET A 1 8   ? -12.590 -6.585  -22.048 1.00 22.54 ? 14  MET B CB  1 
ATOM   66   C CG  . MET A 1 8   ? -13.651 -5.508  -22.241 1.00 28.64 ? 14  MET B CG  1 
ATOM   67   S SD  . MET A 1 8   ? -15.164 -5.763  -21.242 1.00 39.48 ? 14  MET B SD  1 
ATOM   68   C CE  . MET A 1 8   ? -14.657 -5.052  -19.681 1.00 34.87 ? 14  MET B CE  1 
ATOM   69   N N   . VAL A 1 9   ? -14.216 -7.795  -24.716 1.00 16.19 ? 15  VAL B N   1 
ATOM   70   C CA  . VAL A 1 9   ? -14.517 -7.560  -26.150 1.00 16.88 ? 15  VAL B CA  1 
ATOM   71   C C   . VAL A 1 9   ? -15.506 -6.385  -26.224 1.00 17.32 ? 15  VAL B C   1 
ATOM   72   O O   . VAL A 1 9   ? -16.369 -6.236  -25.334 1.00 16.83 ? 15  VAL B O   1 
ATOM   73   C CB  . VAL A 1 9   ? -15.037 -8.807  -26.889 1.00 18.09 ? 15  VAL B CB  1 
ATOM   74   C CG1 . VAL A 1 9   ? -13.958 -9.864  -27.025 1.00 21.48 ? 15  VAL B CG1 1 
ATOM   75   C CG2 . VAL A 1 9   ? -16.250 -9.431  -26.233 1.00 19.12 ? 15  VAL B CG2 1 
ATOM   76   N N   . HIS A 1 10  ? -15.430 -5.610  -27.297 1.00 17.21 ? 16  HIS B N   1 
ATOM   77   C CA  . HIS A 1 10  ? -16.315 -4.451  -27.536 1.00 17.34 ? 16  HIS B CA  1 
ATOM   78   C C   . HIS A 1 10  ? -17.542 -4.944  -28.304 1.00 17.28 ? 16  HIS B C   1 
ATOM   79   O O   . HIS A 1 10  ? -17.442 -5.295  -29.464 1.00 21.25 ? 16  HIS B O   1 
ATOM   80   C CB  . HIS A 1 10  ? -15.562 -3.362  -28.306 1.00 17.98 ? 16  HIS B CB  1 
ATOM   81   C CG  . HIS A 1 10  ? -16.320 -2.088  -28.485 1.00 21.87 ? 16  HIS B CG  1 
ATOM   82   N ND1 . HIS A 1 10  ? -16.430 -1.158  -27.490 1.00 25.39 ? 16  HIS B ND1 1 
ATOM   83   C CD2 . HIS A 1 10  ? -17.039 -1.636  -29.533 1.00 25.46 ? 16  HIS B CD2 1 
ATOM   84   C CE1 . HIS A 1 10  ? -17.154 -0.140  -27.927 1.00 23.12 ? 16  HIS B CE1 1 
ATOM   85   N NE2 . HIS A 1 10  ? -17.549 -0.418  -29.183 1.00 27.82 ? 16  HIS B NE2 1 
ATOM   86   N N   . ILE A 1 11  ? -18.656 -5.085  -27.603 1.00 13.99 ? 17  ILE B N   1 
ATOM   87   C CA  . ILE A 1 11  ? -19.897 -5.568  -28.241 1.00 13.94 ? 17  ILE B CA  1 
ATOM   88   C C   . ILE A 1 11  ? -20.708 -4.363  -28.769 1.00 13.64 ? 17  ILE B C   1 
ATOM   89   O O   . ILE A 1 11  ? -20.759 -3.356  -28.094 1.00 14.03 ? 17  ILE B O   1 
ATOM   90   C CB  . ILE A 1 11  ? -20.704 -6.395  -27.217 1.00 13.41 ? 17  ILE B CB  1 
ATOM   91   C CG1 . ILE A 1 11  ? -19.906 -7.613  -26.723 1.00 14.08 ? 17  ILE B CG1 1 
ATOM   92   C CG2 . ILE A 1 11  ? -22.043 -6.803  -27.820 1.00 13.19 ? 17  ILE B CG2 1 
ATOM   93   C CD1 . ILE A 1 11  ? -19.330 -8.509  -27.802 1.00 14.09 ? 17  ILE B CD1 1 
ATOM   94   N N   . THR A 1 12  ? -21.312 -4.552  -29.923 1.00 13.09 ? 18  THR B N   1 
ATOM   95   C CA  . THR A 1 12  ? -22.295 -3.572  -30.460 1.00 14.07 ? 18  THR B CA  1 
ATOM   96   C C   . THR A 1 12  ? -23.544 -4.342  -30.852 1.00 14.71 ? 18  THR B C   1 
ATOM   97   O O   . THR A 1 12  ? -23.498 -5.568  -31.117 1.00 14.95 ? 18  THR B O   1 
ATOM   98   C CB  . THR A 1 12  ? -21.725 -2.776  -31.638 1.00 16.47 ? 18  THR B CB  1 
ATOM   99   O OG1 . THR A 1 12  ? -21.374 -3.669  -32.680 1.00 18.00 ? 18  THR B OG1 1 
ATOM   100  C CG2 . THR A 1 12  ? -20.555 -1.887  -31.251 1.00 17.86 ? 18  THR B CG2 1 
ATOM   101  N N   . LEU A 1 13  ? -24.681 -3.636  -30.826 1.00 12.34 ? 19  LEU B N   1 
ATOM   102  C CA  . LEU A 1 13  ? -25.979 -4.290  -31.098 1.00 12.36 ? 19  LEU B CA  1 
ATOM   103  C C   . LEU A 1 13  ? -26.267 -4.293  -32.593 1.00 12.52 ? 19  LEU B C   1 
ATOM   104  O O   . LEU A 1 13  ? -25.959 -3.266  -33.280 1.00 14.23 ? 19  LEU B O   1 
ATOM   105  C CB  . LEU A 1 13  ? -27.044 -3.527  -30.333 1.00 12.87 ? 19  LEU B CB  1 
ATOM   106  C CG  . LEU A 1 13  ? -26.865 -3.617  -28.840 1.00 12.21 ? 19  LEU B CG  1 
ATOM   107  C CD1 . LEU A 1 13  ? -27.853 -2.718  -28.106 1.00 14.07 ? 19  LEU B CD1 1 
ATOM   108  C CD2 . LEU A 1 13  ? -26.967 -5.066  -28.362 1.00 13.95 ? 19  LEU B CD2 1 
ATOM   109  N N   . ASP A 1 14  ? -26.861 -5.340  -33.094 1.00 11.55 ? 20  ASP B N   1 
ATOM   110  C CA  . ASP A 1 14  ? -27.231 -5.504  -34.525 1.00 12.13 ? 20  ASP B CA  1 
ATOM   111  C C   . ASP A 1 14  ? -28.724 -5.118  -34.700 1.00 13.02 ? 20  ASP B C   1 
ATOM   112  O O   . ASP A 1 14  ? -29.598 -5.912  -34.408 1.00 11.93 ? 20  ASP B O   1 
ATOM   113  C CB  . ASP A 1 14  ? -26.952 -6.929  -35.027 1.00 12.71 ? 20  ASP B CB  1 
ATOM   114  C CG  . ASP A 1 14  ? -27.251 -7.211  -36.481 1.00 16.55 ? 20  ASP B CG  1 
ATOM   115  O OD1 . ASP A 1 14  ? -27.911 -6.335  -37.094 1.00 16.27 ? 20  ASP B OD1 1 
ATOM   116  O OD2 . ASP A 1 14  ? -26.955 -8.332  -36.983 1.00 17.32 ? 20  ASP B OD2 1 
ATOM   117  N N   A ARG A 1 15  ? -28.943 -3.889  -35.195 0.25 13.99 ? 21  ARG B N   1 
ATOM   118  N N   B ARG A 1 15  ? -28.965 -3.896  -35.193 0.25 14.59 ? 21  ARG B N   1 
ATOM   119  C CA  A ARG A 1 15  ? -30.273 -3.273  -35.472 0.25 14.88 ? 21  ARG B CA  1 
ATOM   120  C CA  B ARG A 1 15  ? -30.323 -3.319  -35.404 0.25 15.74 ? 21  ARG B CA  1 
ATOM   121  C C   A ARG A 1 15  ? -31.181 -4.217  -36.254 0.25 14.35 ? 21  ARG B C   1 
ATOM   122  C C   B ARG A 1 15  ? -31.202 -4.237  -36.252 0.25 14.92 ? 21  ARG B C   1 
ATOM   123  O O   A ARG A 1 15  ? -32.404 -4.214  -36.000 0.25 14.24 ? 21  ARG B O   1 
ATOM   124  O O   B ARG A 1 15  ? -32.430 -4.252  -36.031 0.25 14.62 ? 21  ARG B O   1 
ATOM   125  C CB  A ARG A 1 15  ? -30.100 -1.996  -36.309 0.25 16.07 ? 21  ARG B CB  1 
ATOM   126  C CB  B ARG A 1 15  ? -30.222 -1.960  -36.110 0.25 18.12 ? 21  ARG B CB  1 
ATOM   127  C CG  A ARG A 1 15  ? -29.235 -0.934  -35.651 0.25 17.51 ? 21  ARG B CG  1 
ATOM   128  C CG  B ARG A 1 15  ? -29.933 -0.801  -35.173 0.25 20.50 ? 21  ARG B CG  1 
ATOM   129  C CD  A ARG A 1 15  ? -29.123 0.333   -36.495 0.25 18.20 ? 21  ARG B CD  1 
ATOM   130  C CD  B ARG A 1 15  ? -28.511 -0.282  -35.286 0.25 23.09 ? 21  ARG B CD  1 
ATOM   131  N NE  A ARG A 1 15  ? -28.657 1.419   -35.655 0.25 19.18 ? 21  ARG B NE  1 
ATOM   132  N NE  B ARG A 1 15  ? -28.301 0.696   -36.359 0.25 25.62 ? 21  ARG B NE  1 
ATOM   133  C CZ  A ARG A 1 15  ? -29.413 2.011   -34.753 0.25 19.10 ? 21  ARG B CZ  1 
ATOM   134  C CZ  B ARG A 1 15  ? -27.791 0.430   -37.562 0.25 28.52 ? 21  ARG B CZ  1 
ATOM   135  N NH1 A ARG A 1 15  ? -30.677 1.651   -34.639 0.25 20.42 ? 21  ARG B NH1 1 
ATOM   136  N NH1 B ARG A 1 15  ? -27.444 -0.799  -37.899 0.25 30.20 ? 21  ARG B NH1 1 
ATOM   137  N NH2 A ARG A 1 15  ? -28.917 2.965   -33.991 0.25 19.90 ? 21  ARG B NH2 1 
ATOM   138  N NH2 B ARG A 1 15  ? -27.639 1.406   -38.439 0.25 30.19 ? 21  ARG B NH2 1 
ATOM   139  N N   . ASN A 1 16  ? -30.619 -4.961  -37.208 1.00 13.72 ? 22  ASN B N   1 
ATOM   140  C CA  . ASN A 1 16  ? -31.404 -5.801  -38.121 1.00 15.03 ? 22  ASN B CA  1 
ATOM   141  C C   . ASN A 1 16  ? -32.082 -6.946  -37.390 1.00 13.39 ? 22  ASN B C   1 
ATOM   142  O O   . ASN A 1 16  ? -33.071 -7.457  -37.883 1.00 13.32 ? 22  ASN B O   1 
ATOM   143  C CB  . ASN A 1 16  ? -30.549 -6.257  -39.308 1.00 18.81 ? 22  ASN B CB  1 
ATOM   144  C CG  . ASN A 1 16  ? -30.344 -5.138  -40.313 1.00 24.28 ? 22  ASN B CG  1 
ATOM   145  O OD1 . ASN A 1 16  ? -31.122 -4.187  -40.366 1.00 31.02 ? 22  ASN B OD1 1 
ATOM   146  N ND2 . ASN A 1 16  ? -29.273 -5.234  -41.078 1.00 36.38 ? 22  ASN B ND2 1 
ATOM   147  N N   . THR A 1 17  ? -31.555 -7.358  -36.212 1.00 11.93 ? 23  THR B N   1 
ATOM   148  C CA  . THR A 1 17  ? -32.081 -8.484  -35.431 1.00 11.80 ? 23  THR B CA  1 
ATOM   149  C C   . THR A 1 17  ? -33.121 -7.991  -34.423 1.00 10.57 ? 23  THR B C   1 
ATOM   150  O O   . THR A 1 17  ? -33.798 -8.825  -33.801 1.00 10.82 ? 23  THR B O   1 
ATOM   151  C CB  . THR A 1 17  ? -30.992 -9.275  -34.691 1.00 11.86 ? 23  THR B CB  1 
ATOM   152  O OG1 . THR A 1 17  ? -30.424 -8.470  -33.656 1.00 12.15 ? 23  THR B OG1 1 
ATOM   153  C CG2 . THR A 1 17  ? -29.956 -9.818  -35.658 1.00 12.96 ? 23  THR B CG2 1 
ATOM   154  N N   . ALA A 1 18  ? -33.195 -6.699  -34.203 1.00 10.75 ? 24  ALA B N   1 
ATOM   155  C CA  . ALA A 1 18  ? -34.006 -6.151  -33.089 1.00 10.74 ? 24  ALA B CA  1 
ATOM   156  C C   . ALA A 1 18  ? -35.499 -6.359  -33.339 1.00 11.34 ? 24  ALA B C   1 
ATOM   157  O O   . ALA A 1 18  ? -36.008 -6.082  -34.457 1.00 12.54 ? 24  ALA B O   1 
ATOM   158  C CB  . ALA A 1 18  ? -33.726 -4.704  -32.919 1.00 11.30 ? 24  ALA B CB  1 
ATOM   159  N N   . ASN A 1 19  ? -36.253 -6.661  -32.321 1.00 11.02 ? 25  ASN B N   1 
ATOM   160  C CA  . ASN A 1 19  ? -37.710 -6.469  -32.358 1.00 10.85 ? 25  ASN B CA  1 
ATOM   161  C C   . ASN A 1 19  ? -37.986 -5.027  -32.804 1.00 10.21 ? 25  ASN B C   1 
ATOM   162  O O   . ASN A 1 19  ? -37.288 -4.078  -32.462 1.00 10.32 ? 25  ASN B O   1 
ATOM   163  C CB  . ASN A 1 19  ? -38.271 -6.792  -30.992 1.00 11.94 ? 25  ASN B CB  1 
ATOM   164  C CG  . ASN A 1 19  ? -39.747 -6.530  -30.905 1.00 13.28 ? 25  ASN B CG  1 
ATOM   165  O OD1 . ASN A 1 19  ? -40.191 -5.421  -30.640 1.00 13.62 ? 25  ASN B OD1 1 
ATOM   166  N ND2 . ASN A 1 19  ? -40.502 -7.559  -31.129 1.00 16.96 ? 25  ASN B ND2 1 
ATOM   167  N N   . SER A 1 20  ? -39.064 -4.870  -33.565 1.00 10.18 ? 26  SER B N   1 
ATOM   168  C CA  . SER A 1 20  ? -39.433 -3.593  -34.210 1.00 10.90 ? 26  SER B CA  1 
ATOM   169  C C   . SER A 1 20  ? -39.817 -2.509  -33.208 1.00 11.09 ? 26  SER B C   1 
ATOM   170  O O   . SER A 1 20  ? -39.913 -1.340  -33.672 1.00 11.90 ? 26  SER B O   1 
ATOM   171  C CB  . SER A 1 20  ? -40.557 -3.824  -35.198 1.00 12.22 ? 26  SER B CB  1 
ATOM   172  O OG  . SER A 1 20  ? -41.693 -4.277  -34.495 1.00 14.84 ? 26  SER B OG  1 
ATOM   173  N N   . TRP A 1 21  ? -40.020 -2.780  -31.925 1.00 10.04 ? 27  TRP B N   1 
ATOM   174  C CA  . TRP A 1 21  ? -40.311 -1.750  -30.917 1.00 10.80 ? 27  TRP B CA  1 
ATOM   175  C C   . TRP A 1 21  ? -39.055 -1.232  -30.225 1.00 11.21 ? 27  TRP B C   1 
ATOM   176  O O   . TRP A 1 21  ? -39.179 -0.320  -29.396 1.00 11.28 ? 27  TRP B O   1 
ATOM   177  C CB  . TRP A 1 21  ? -41.297 -2.285  -29.911 1.00 12.15 ? 27  TRP B CB  1 
ATOM   178  C CG  . TRP A 1 21  ? -42.696 -2.401  -30.456 1.00 12.47 ? 27  TRP B CG  1 
ATOM   179  C CD1 . TRP A 1 21  ? -43.097 -2.913  -31.655 1.00 12.15 ? 27  TRP B CD1 1 
ATOM   180  C CD2 . TRP A 1 21  ? -43.874 -1.961  -29.791 1.00 13.84 ? 27  TRP B CD2 1 
ATOM   181  N NE1 . TRP A 1 21  ? -44.469 -2.848  -31.767 1.00 14.35 ? 27  TRP B NE1 1 
ATOM   182  C CE2 . TRP A 1 21  ? -44.955 -2.290  -30.636 1.00 12.81 ? 27  TRP B CE2 1 
ATOM   183  C CE3 . TRP A 1 21  ? -44.109 -1.327  -28.572 1.00 15.53 ? 27  TRP B CE3 1 
ATOM   184  C CZ2 . TRP A 1 21  ? -46.281 -1.986  -30.269 1.00 16.01 ? 27  TRP B CZ2 1 
ATOM   185  C CZ3 . TRP A 1 21  ? -45.424 -1.069  -28.194 1.00 18.40 ? 27  TRP B CZ3 1 
ATOM   186  C CH2 . TRP A 1 21  ? -46.477 -1.416  -29.033 1.00 18.68 ? 27  TRP B CH2 1 
ATOM   187  N N   . LEU A 1 22  ? -37.878 -1.841  -30.518 1.00 10.56 ? 28  LEU B N   1 
ATOM   188  C CA  . LEU A 1 22  ? -36.661 -1.440  -29.782 1.00 10.89 ? 28  LEU B CA  1 
ATOM   189  C C   . LEU A 1 22  ? -36.068 -0.171  -30.407 1.00 11.07 ? 28  LEU B C   1 
ATOM   190  O O   . LEU A 1 22  ? -36.077 0.020   -31.622 1.00 11.80 ? 28  LEU B O   1 
ATOM   191  C CB  . LEU A 1 22  ? -35.644 -2.579  -29.780 1.00 9.79  ? 28  LEU B CB  1 
ATOM   192  C CG  . LEU A 1 22  ? -36.087 -3.839  -29.053 1.00 10.99 ? 28  LEU B CG  1 
ATOM   193  C CD1 . LEU A 1 22  ? -34.974 -4.877  -29.056 1.00 11.14 ? 28  LEU B CD1 1 
ATOM   194  C CD2 . LEU A 1 22  ? -36.494 -3.576  -27.634 1.00 11.87 ? 28  LEU B CD2 1 
ATOM   195  N N   . ILE A 1 23  ? -35.445 0.585   -29.537 1.00 10.78 ? 29  ILE B N   1 
ATOM   196  C CA  . ILE A 1 23  ? -34.680 1.815   -29.891 1.00 12.05 ? 29  ILE B CA  1 
ATOM   197  C C   . ILE A 1 23  ? -33.229 1.587   -29.464 1.00 12.00 ? 29  ILE B C   1 
ATOM   198  O O   . ILE A 1 23  ? -32.949 1.470   -28.244 1.00 12.18 ? 29  ILE B O   1 
ATOM   199  C CB  . ILE A 1 23  ? -35.246 3.058   -29.235 1.00 12.84 ? 29  ILE B CB  1 
ATOM   200  C CG1 . ILE A 1 23  ? -36.719 3.316   -29.630 1.00 13.18 ? 29  ILE B CG1 1 
ATOM   201  C CG2 . ILE A 1 23  ? -34.367 4.272   -29.588 1.00 14.58 ? 29  ILE B CG2 1 
ATOM   202  C CD1 . ILE A 1 23  ? -37.378 4.384   -28.878 1.00 15.48 ? 29  ILE B CD1 1 
ATOM   203  N N   . ILE A 1 24  ? -32.361 1.493   -30.457 1.00 14.50 ? 30  ILE B N   1 
ATOM   204  C CA  . ILE A 1 24  ? -30.904 1.316   -30.222 1.00 14.66 ? 30  ILE B CA  1 
ATOM   205  C C   . ILE A 1 24  ? -30.195 2.642   -30.388 1.00 15.74 ? 30  ILE B C   1 
ATOM   206  O O   . ILE A 1 24  ? -30.472 3.410   -31.378 1.00 16.26 ? 30  ILE B O   1 
ATOM   207  C CB  . ILE A 1 24  ? -30.388 0.263   -31.168 1.00 15.07 ? 30  ILE B CB  1 
ATOM   208  C CG1 . ILE A 1 24  ? -30.971 -1.097  -30.813 1.00 18.56 ? 30  ILE B CG1 1 
ATOM   209  C CG2 . ILE A 1 24  ? -28.856 0.197   -31.148 1.00 16.03 ? 30  ILE B CG2 1 
ATOM   210  C CD1 . ILE A 1 24  ? -30.735 -2.113  -31.769 1.00 19.53 ? 30  ILE B CD1 1 
ATOM   211  N N   . SER A 1 25  ? -29.313 3.008   -29.498 1.00 15.25 ? 31  SER B N   1 
ATOM   212  C CA  . SER A 1 25  ? -28.599 4.287   -29.563 1.00 15.82 ? 31  SER B CA  1 
ATOM   213  C C   . SER A 1 25  ? -27.692 4.352   -30.798 1.00 14.49 ? 31  SER B C   1 
ATOM   214  O O   . SER A 1 25  ? -27.316 3.359   -31.368 1.00 14.43 ? 31  SER B O   1 
ATOM   215  C CB  . SER A 1 25  ? -27.849 4.461   -28.304 1.00 16.83 ? 31  SER B CB  1 
ATOM   216  O OG  . SER A 1 25  ? -26.894 3.403   -28.156 1.00 15.82 ? 31  SER B OG  1 
ATOM   217  N N   . LYS A 1 26  ? -27.306 5.593   -31.140 1.00 17.85 ? 32  LYS B N   1 
ATOM   218  C CA  . LYS A 1 26  ? -26.395 5.852   -32.286 1.00 17.37 ? 32  LYS B CA  1 
ATOM   219  C C   . LYS A 1 26  ? -25.120 5.006   -32.172 1.00 15.98 ? 32  LYS B C   1 
ATOM   220  O O   . LYS A 1 26  ? -24.674 4.517   -33.194 1.00 18.08 ? 32  LYS B O   1 
ATOM   221  C CB  . LYS A 1 26  ? -26.020 7.345   -32.322 1.00 19.64 ? 32  LYS B CB  1 
ATOM   222  C CG  . LYS A 1 26  ? -25.134 7.713   -33.491 1.00 21.78 ? 32  LYS B CG  1 
ATOM   223  C CD  . LYS A 1 26  ? -25.291 9.163   -33.833 1.00 23.71 ? 32  LYS B CD  1 
ATOM   224  C CE  . LYS A 1 26  ? -25.037 10.004  -32.612 1.00 28.67 ? 32  LYS B CE  1 
ATOM   225  N NZ  . LYS A 1 26  ? -25.336 11.409  -32.892 1.00 31.40 ? 32  LYS B NZ  1 
ATOM   226  N N   . ASP A 1 27  ? -24.533 4.937   -30.980 1.00 16.63 ? 33  ASP B N   1 
ATOM   227  C CA  . ASP A 1 27  ? -23.264 4.178   -30.771 1.00 15.67 ? 33  ASP B CA  1 
ATOM   228  C C   . ASP A 1 27  ? -23.518 2.658   -30.747 1.00 14.56 ? 33  ASP B C   1 
ATOM   229  O O   . ASP A 1 27  ? -22.525 1.900   -30.678 1.00 14.80 ? 33  ASP B O   1 
ATOM   230  C CB  . ASP A 1 27  ? -22.509 4.660   -29.530 1.00 17.49 ? 33  ASP B CB  1 
ATOM   231  C CG  . ASP A 1 27  ? -23.176 4.418   -28.188 1.00 16.80 ? 33  ASP B CG  1 
ATOM   232  O OD1 . ASP A 1 27  ? -24.278 3.777   -28.192 1.00 16.95 ? 33  ASP B OD1 1 
ATOM   233  O OD2 . ASP A 1 27  ? -22.562 4.820   -27.175 1.00 19.89 ? 33  ASP B OD2 1 
ATOM   234  N N   . ARG A 1 28  ? -24.746 2.182   -30.874 1.00 13.47 ? 34  ARG B N   1 
ATOM   235  C CA  . ARG A 1 28  ? -25.113 0.747   -30.872 1.00 13.39 ? 34  ARG B CA  1 
ATOM   236  C C   . ARG A 1 28  ? -24.674 0.098   -29.547 1.00 11.52 ? 34  ARG B C   1 
ATOM   237  O O   . ARG A 1 28  ? -24.517 -1.147  -29.542 1.00 12.41 ? 34  ARG B O   1 
ATOM   238  C CB  . ARG A 1 28  ? -24.601 0.051   -32.134 1.00 16.48 ? 34  ARG B CB  1 
ATOM   239  C CG  . ARG A 1 28  ? -25.236 0.654   -33.385 1.00 20.77 ? 34  ARG B CG  1 
ATOM   240  C CD  . ARG A 1 28  ? -24.952 -0.067  -34.660 1.00 26.56 ? 34  ARG B CD  1 
ATOM   241  N NE  . ARG A 1 28  ? -23.539 -0.240  -34.906 1.00 31.47 ? 34  ARG B NE  1 
ATOM   242  C CZ  . ARG A 1 28  ? -22.838 -1.391  -34.832 1.00 42.60 ? 34  ARG B CZ  1 
ATOM   243  N NH1 . ARG A 1 28  ? -23.392 -2.570  -34.523 1.00 35.87 ? 34  ARG B NH1 1 
ATOM   244  N NH2 . ARG A 1 28  ? -21.539 -1.345  -35.100 1.00 48.38 ? 34  ARG B NH2 1 
ATOM   245  N N   . ARG A 1 29  ? -24.625 0.827   -28.477 1.00 10.69 ? 35  ARG B N   1 
ATOM   246  C CA  . ARG A 1 29  ? -24.250 0.282   -27.155 1.00 12.04 ? 35  ARG B CA  1 
ATOM   247  C C   . ARG A 1 29  ? -25.385 0.283   -26.143 1.00 11.98 ? 35  ARG B C   1 
ATOM   248  O O   . ARG A 1 29  ? -25.210 -0.299  -25.055 1.00 13.64 ? 35  ARG B O   1 
ATOM   249  C CB  . ARG A 1 29  ? -23.065 1.059   -26.577 1.00 12.85 ? 35  ARG B CB  1 
ATOM   250  C CG  . ARG A 1 29  ? -21.826 0.998   -27.454 1.00 15.40 ? 35  ARG B CG  1 
ATOM   251  C CD  . ARG A 1 29  ? -20.978 -0.214  -27.205 1.00 15.86 ? 35  ARG B CD  1 
ATOM   252  N NE  . ARG A 1 29  ? -20.206 -0.038  -25.971 1.00 16.89 ? 35  ARG B NE  1 
ATOM   253  C CZ  . ARG A 1 29  ? -19.483 -0.990  -25.367 1.00 16.11 ? 35  ARG B CZ  1 
ATOM   254  N NH1 . ARG A 1 29  ? -19.397 -2.156  -25.934 1.00 15.98 ? 35  ARG B NH1 1 
ATOM   255  N NH2 . ARG A 1 29  ? -18.832 -0.731  -24.259 1.00 17.63 ? 35  ARG B NH2 1 
ATOM   256  N N   . GLN A 1 30  ? -26.534 0.888   -26.437 1.00 11.44 ? 36  GLN B N   1 
ATOM   257  C CA  . GLN A 1 30  ? -27.693 0.905   -25.539 1.00 12.24 ? 36  GLN B CA  1 
ATOM   258  C C   . GLN A 1 30  ? -28.954 0.523   -26.292 1.00 11.24 ? 36  GLN B C   1 
ATOM   259  O O   . GLN A 1 30  ? -29.072 0.803   -27.512 1.00 12.24 ? 36  GLN B O   1 
ATOM   260  C CB  . GLN A 1 30  ? -27.888 2.310   -24.970 1.00 14.45 ? 36  GLN B CB  1 
ATOM   261  C CG  . GLN A 1 30  ? -26.640 2.920   -24.377 1.00 17.53 ? 36  GLN B CG  1 
ATOM   262  C CD  . GLN A 1 30  ? -26.991 4.153   -23.575 1.00 21.51 ? 36  GLN B CD  1 
ATOM   263  O OE1 . GLN A 1 30  ? -28.149 4.381   -23.191 1.00 24.34 ? 36  GLN B OE1 1 
ATOM   264  N NE2 . GLN A 1 30  ? -25.991 4.973   -23.348 1.00 25.07 ? 36  GLN B NE2 1 
ATOM   265  N N   . VAL A 1 31  ? -29.898 -0.071  -25.587 1.00 10.99 ? 37  VAL B N   1 
ATOM   266  C CA  . VAL A 1 31  ? -31.195 -0.457  -26.186 1.00 10.72 ? 37  VAL B CA  1 
ATOM   267  C C   . VAL A 1 31  ? -32.273 -0.300  -25.134 1.00 11.29 ? 37  VAL B C   1 
ATOM   268  O O   . VAL A 1 31  ? -32.085 -0.696  -23.982 1.00 10.55 ? 37  VAL B O   1 
ATOM   269  C CB  . VAL A 1 31  ? -31.122 -1.857  -26.792 1.00 10.46 ? 37  VAL B CB  1 
ATOM   270  C CG1 . VAL A 1 31  ? -30.712 -2.934  -25.769 1.00 10.75 ? 37  VAL B CG1 1 
ATOM   271  C CG2 . VAL A 1 31  ? -32.428 -2.233  -27.458 1.00 10.89 ? 37  VAL B CG2 1 
ATOM   272  N N   . ARG A 1 32  ? -33.417 0.212   -25.544 1.00 10.81 ? 38  ARG B N   1 
ATOM   273  C CA  . ARG A 1 32  ? -34.605 0.266   -24.680 1.00 11.35 ? 38  ARG B CA  1 
ATOM   274  C C   . ARG A 1 32  ? -35.865 -0.031  -25.505 1.00 11.16 ? 38  ARG B C   1 
ATOM   275  O O   . ARG A 1 32  ? -35.859 0.040   -26.719 1.00 10.46 ? 38  ARG B O   1 
ATOM   276  C CB  . ARG A 1 32  ? -34.710 1.628   -24.000 1.00 12.93 ? 38  ARG B CB  1 
ATOM   277  C CG  . ARG A 1 32  ? -35.019 2.756   -24.956 1.00 14.95 ? 38  ARG B CG  1 
ATOM   278  C CD  . ARG A 1 32  ? -34.925 4.075   -24.185 1.00 17.64 ? 38  ARG B CD  1 
ATOM   279  N NE  . ARG A 1 32  ? -35.183 5.197   -25.066 1.00 22.67 ? 38  ARG B NE  1 
ATOM   280  C CZ  . ARG A 1 32  ? -36.369 5.694   -25.352 1.00 19.50 ? 38  ARG B CZ  1 
ATOM   281  N NH1 . ARG A 1 32  ? -37.481 5.178   -24.878 1.00 21.89 ? 38  ARG B NH1 1 
ATOM   282  N NH2 . ARG A 1 32  ? -36.418 6.747   -26.182 1.00 24.20 ? 38  ARG B NH2 1 
ATOM   283  N N   A MET A 1 33  ? -36.914 -0.321  -24.744 0.45 10.81 ? 39  MET B N   1 
ATOM   284  N N   B MET A 1 33  ? -36.935 -0.443  -24.831 0.40 11.39 ? 39  MET B N   1 
ATOM   285  C CA  A MET A 1 33  ? -38.284 -0.574  -25.263 0.45 12.21 ? 39  MET B CA  1 
ATOM   286  C CA  B MET A 1 33  ? -38.217 -0.734  -25.541 0.40 12.27 ? 39  MET B CA  1 
ATOM   287  C C   A MET A 1 33  ? -38.936 0.769   -25.633 0.45 11.77 ? 39  MET B C   1 
ATOM   288  C C   B MET A 1 33  ? -39.029 0.560   -25.622 0.40 11.85 ? 39  MET B C   1 
ATOM   289  O O   A MET A 1 33  ? -38.957 1.687   -24.826 0.45 13.45 ? 39  MET B O   1 
ATOM   290  O O   B MET A 1 33  ? -39.359 1.117   -24.508 0.40 10.77 ? 39  MET B O   1 
ATOM   291  C CB  A MET A 1 33  ? -39.097 -1.321  -24.195 0.45 12.55 ? 39  MET B CB  1 
ATOM   292  C CB  B MET A 1 33  ? -39.081 -1.817  -24.875 0.40 13.71 ? 39  MET B CB  1 
ATOM   293  C CG  A MET A 1 33  ? -40.479 -1.803  -24.649 0.45 14.69 ? 39  MET B CG  1 
ATOM   294  C CG  B MET A 1 33  ? -40.438 -2.052  -25.637 0.40 15.13 ? 39  MET B CG  1 
ATOM   295  S SD  A MET A 1 33  ? -40.390 -2.821  -26.172 0.45 18.05 ? 39  MET B SD  1 
ATOM   296  S SD  B MET A 1 33  ? -41.235 -3.562  -25.043 0.40 16.78 ? 39  MET B SD  1 
ATOM   297  C CE  A MET A 1 33  ? -41.939 -3.710  -26.135 0.45 17.87 ? 39  MET B CE  1 
ATOM   298  C CE  B MET A 1 33  ? -42.551 -3.656  -26.260 0.40 17.40 ? 39  MET B CE  1 
ATOM   299  N N   . GLY A 1 34  ? -39.319 0.931   -26.887 1.00 12.07 ? 40  GLY B N   1 
ATOM   300  C CA  . GLY A 1 34  ? -40.155 2.096   -27.247 1.00 14.01 ? 40  GLY B CA  1 
ATOM   301  C C   . GLY A 1 34  ? -41.601 1.879   -26.856 1.00 15.54 ? 40  GLY B C   1 
ATOM   302  O O   . GLY A 1 34  ? -41.998 0.782   -26.443 1.00 15.39 ? 40  GLY B O   1 
ATOM   303  N N   . ASP A 1 35  ? -42.387 2.969   -26.903 1.00 19.07 ? 41  ASP B N   1 
ATOM   304  C CA  . ASP A 1 35  ? -43.832 2.883   -26.523 1.00 20.58 ? 41  ASP B CA  1 
ATOM   305  C C   . ASP A 1 35  ? -44.661 2.532   -27.784 1.00 19.91 ? 41  ASP B C   1 
ATOM   306  O O   . ASP A 1 35  ? -45.901 2.362   -27.640 1.00 20.43 ? 41  ASP B O   1 
ATOM   307  C CB  . ASP A 1 35  ? -44.299 4.137   -25.740 1.00 24.08 ? 41  ASP B CB  1 
ATOM   308  C CG  . ASP A 1 35  ? -43.841 4.264   -24.269 1.00 31.42 ? 41  ASP B CG  1 
ATOM   309  O OD1 . ASP A 1 35  ? -43.667 3.223   -23.583 1.00 34.49 ? 41  ASP B OD1 1 
ATOM   310  O OD2 . ASP A 1 35  ? -43.707 5.416   -23.778 1.00 34.10 ? 41  ASP B OD2 1 
ATOM   311  N N   . THR A 1 36  ? -44.048 2.285   -28.934 1.00 15.88 ? 42  THR B N   1 
ATOM   312  C CA  . THR A 1 36  ? -44.741 1.962   -30.214 1.00 15.61 ? 42  THR B CA  1 
ATOM   313  C C   . THR A 1 36  ? -43.786 1.282   -31.199 1.00 13.39 ? 42  THR B C   1 
ATOM   314  O O   . THR A 1 36  ? -42.503 1.262   -31.000 1.00 13.07 ? 42  THR B O   1 
ATOM   315  C CB  . THR A 1 36  ? -45.315 3.283   -30.720 1.00 17.41 ? 42  THR B CB  1 
ATOM   316  O OG1 . THR A 1 36  ? -46.179 2.976   -31.790 1.00 19.80 ? 42  THR B OG1 1 
ATOM   317  C CG2 . THR A 1 36  ? -44.227 4.241   -31.154 1.00 19.42 ? 42  THR B CG2 1 
ATOM   318  N N   . HIS A 1 37  ? -44.269 0.807   -32.348 1.00 13.44 ? 43  HIS B N   1 
ATOM   319  C CA  . HIS A 1 37  ? -43.442 0.324   -33.474 1.00 12.50 ? 43  HIS B CA  1 
ATOM   320  C C   . HIS A 1 37  ? -42.495 1.424   -33.919 1.00 13.62 ? 43  HIS B C   1 
ATOM   321  O O   . HIS A 1 37  ? -42.961 2.582   -34.130 1.00 13.50 ? 43  HIS B O   1 
ATOM   322  C CB  . HIS A 1 37  ? -44.376 -0.191  -34.575 1.00 11.92 ? 43  HIS B CB  1 
ATOM   323  C CG  . HIS A 1 37  ? -43.766 -0.838  -35.750 1.00 11.75 ? 43  HIS B CG  1 
ATOM   324  N ND1 . HIS A 1 37  ? -42.967 -0.175  -36.679 1.00 12.19 ? 43  HIS B ND1 1 
ATOM   325  C CD2 . HIS A 1 37  ? -43.876 -2.119  -36.199 1.00 12.10 ? 43  HIS B CD2 1 
ATOM   326  C CE1 . HIS A 1 37  ? -42.633 -1.013  -37.629 1.00 12.37 ? 43  HIS B CE1 1 
ATOM   327  N NE2 . HIS A 1 37  ? -43.186 -2.260  -37.360 1.00 12.44 ? 43  HIS B NE2 1 
ATOM   328  N N   . GLN A 1 38  ? -41.221 1.119   -34.158 1.00 12.50 ? 44  GLN B N   1 
ATOM   329  C CA  . GLN A 1 38  ? -40.193 2.144   -34.433 1.00 11.84 ? 44  GLN B CA  1 
ATOM   330  C C   . GLN A 1 38  ? -40.023 2.411   -35.934 1.00 13.06 ? 44  GLN B C   1 
ATOM   331  O O   . GLN A 1 38  ? -39.000 3.000   -36.332 1.00 14.40 ? 44  GLN B O   1 
ATOM   332  C CB  . GLN A 1 38  ? -38.880 1.753   -33.737 1.00 11.89 ? 44  GLN B CB  1 
ATOM   333  C CG  . GLN A 1 38  ? -39.028 1.827   -32.248 1.00 12.40 ? 44  GLN B CG  1 
ATOM   334  C CD  . GLN A 1 38  ? -39.517 3.151   -31.733 1.00 12.88 ? 44  GLN B CD  1 
ATOM   335  O OE1 . GLN A 1 38  ? -40.453 3.275   -30.925 1.00 16.65 ? 44  GLN B OE1 1 
ATOM   336  N NE2 . GLN A 1 38  ? -38.898 4.213   -32.196 1.00 11.93 ? 44  GLN B NE2 1 
ATOM   337  N N   . ASN A 1 39  ? -40.971 1.991   -36.768 1.00 12.56 ? 45  ASN B N   1 
ATOM   338  C CA  . ASN A 1 39  ? -41.052 2.456   -38.182 1.00 12.05 ? 45  ASN B CA  1 
ATOM   339  C C   . ASN A 1 39  ? -39.959 1.862   -39.035 1.00 13.17 ? 45  ASN B C   1 
ATOM   340  O O   . ASN A 1 39  ? -39.520 2.465   -40.014 1.00 14.87 ? 45  ASN B O   1 
ATOM   341  C CB  . ASN A 1 39  ? -41.088 3.997   -38.304 1.00 12.69 ? 45  ASN B CB  1 
ATOM   342  C CG  . ASN A 1 39  ? -41.773 4.438   -39.587 1.00 12.48 ? 45  ASN B CG  1 
ATOM   343  O OD1 . ASN A 1 39  ? -42.638 3.753   -40.143 1.00 11.92 ? 45  ASN B OD1 1 
ATOM   344  N ND2 . ASN A 1 39  ? -41.312 5.555   -40.159 1.00 12.35 ? 45  ASN B ND2 1 
ATOM   345  N N   . VAL A 1 40  ? -39.619 0.614   -38.759 1.00 14.87 ? 46  VAL B N   1 
ATOM   346  C CA  . VAL A 1 40  ? -38.641 -0.205  -39.532 1.00 15.34 ? 46  VAL B CA  1 
ATOM   347  C C   . VAL A 1 40  ? -39.393 -1.256  -40.372 1.00 14.60 ? 46  VAL B C   1 
ATOM   348  O O   . VAL A 1 40  ? -40.449 -1.680  -39.950 1.00 15.01 ? 46  VAL B O   1 
ATOM   349  C CB  . VAL A 1 40  ? -37.595 -0.881  -38.608 1.00 16.53 ? 46  VAL B CB  1 
ATOM   350  C CG1 . VAL A 1 40  ? -36.667 0.150   -37.962 1.00 19.44 ? 46  VAL B CG1 1 
ATOM   351  C CG2 . VAL A 1 40  ? -38.231 -1.760  -37.549 1.00 17.20 ? 46  VAL B CG2 1 
ATOM   352  N N   . SER A 1 41  ? -38.835 -1.706  -41.492 1.00 16.27 ? 47  SER B N   1 
ATOM   353  C CA  . SER A 1 41  ? -39.392 -2.831  -42.262 1.00 16.75 ? 47  SER B CA  1 
ATOM   354  C C   . SER A 1 41  ? -39.181 -4.136  -41.507 1.00 15.47 ? 47  SER B C   1 
ATOM   355  O O   . SER A 1 41  ? -38.209 -4.257  -40.716 1.00 15.23 ? 47  SER B O   1 
ATOM   356  C CB  . SER A 1 41  ? -38.775 -2.906  -43.647 1.00 19.43 ? 47  SER B CB  1 
ATOM   357  O OG  . SER A 1 41  ? -37.367 -3.032  -43.549 1.00 21.99 ? 47  SER B OG  1 
ATOM   358  N N   . ASP A 1 42  ? -39.992 -5.126  -41.776 1.00 16.25 ? 48  ASP B N   1 
ATOM   359  C CA  . ASP A 1 42  ? -39.840 -6.468  -41.183 1.00 15.89 ? 48  ASP B CA  1 
ATOM   360  C C   . ASP A 1 42  ? -38.776 -7.220  -41.969 1.00 17.41 ? 48  ASP B C   1 
ATOM   361  O O   . ASP A 1 42  ? -38.505 -6.882  -43.149 1.00 17.26 ? 48  ASP B O   1 
ATOM   362  C CB  . ASP A 1 42  ? -41.172 -7.195  -41.122 1.00 17.51 ? 48  ASP B CB  1 
ATOM   363  C CG  . ASP A 1 42  ? -41.062 -8.459  -40.312 1.00 21.89 ? 48  ASP B CG  1 
ATOM   364  O OD1 . ASP A 1 42  ? -40.338 -8.456  -39.227 1.00 17.02 ? 48  ASP B OD1 1 
ATOM   365  O OD2 . ASP A 1 42  ? -41.521 -9.491  -40.877 1.00 28.51 ? 48  ASP B OD2 1 
ATOM   366  N N   . ASN A 1 43  ? -38.165 -8.229  -41.329 1.00 15.45 ? 49  ASN B N   1 
ATOM   367  C CA  . ASN A 1 43  ? -37.174 -9.093  -42.006 1.00 16.65 ? 49  ASN B CA  1 
ATOM   368  C C   . ASN A 1 43  ? -37.104 -10.385 -41.208 1.00 16.72 ? 49  ASN B C   1 
ATOM   369  O O   . ASN A 1 43  ? -37.701 -10.483 -40.113 1.00 16.99 ? 49  ASN B O   1 
ATOM   370  C CB  . ASN A 1 43  ? -35.834 -8.412  -42.182 1.00 16.10 ? 49  ASN B CB  1 
ATOM   371  C CG  . ASN A 1 43  ? -35.090 -8.226  -40.869 1.00 15.88 ? 49  ASN B CG  1 
ATOM   372  O OD1 . ASN A 1 43  ? -34.943 -9.192  -40.105 1.00 17.15 ? 49  ASN B OD1 1 
ATOM   373  N ND2 . ASN A 1 43  ? -34.647 -7.055  -40.561 1.00 15.29 ? 49  ASN B ND2 1 
ATOM   374  N N   . LYS A 1 44  ? -36.488 -11.393 -41.791 1.00 17.56 ? 50  LYS B N   1 
ATOM   375  C CA  . LYS A 1 44  ? -36.509 -12.758 -41.210 1.00 18.63 ? 50  LYS B CA  1 
ATOM   376  C C   . LYS A 1 44  ? -35.625 -12.833 -39.945 1.00 16.19 ? 50  LYS B C   1 
ATOM   377  O O   . LYS A 1 44  ? -35.815 -13.788 -39.182 1.00 17.79 ? 50  LYS B O   1 
ATOM   378  C CB  . LYS A 1 44  ? -35.991 -13.792 -42.222 1.00 21.83 ? 50  LYS B CB  1 
ATOM   379  C CG  . LYS A 1 44  ? -34.578 -13.543 -42.696 1.00 26.72 ? 50  LYS B CG  1 
ATOM   380  C CD  . LYS A 1 44  ? -34.176 -14.312 -43.943 1.00 35.14 ? 50  LYS B CD  1 
ATOM   381  C CE  . LYS A 1 44  ? -32.669 -14.379 -44.077 1.00 39.39 ? 50  LYS B CE  1 
ATOM   382  N NZ  . LYS A 1 44  ? -32.262 -15.462 -45.003 1.00 46.54 ? 50  LYS B NZ  1 
ATOM   383  N N   . GLU A 1 45  ? -34.733 -11.881 -39.752 1.00 15.43 ? 51  GLU B N   1 
ATOM   384  C CA  . GLU A 1 45  ? -33.821 -11.857 -38.560 1.00 15.67 ? 51  GLU B CA  1 
ATOM   385  C C   . GLU A 1 45  ? -34.538 -11.336 -37.298 1.00 15.37 ? 51  GLU B C   1 
ATOM   386  O O   . GLU A 1 45  ? -34.093 -11.687 -36.177 1.00 15.71 ? 51  GLU B O   1 
ATOM   387  C CB  . GLU A 1 45  ? -32.589 -11.016 -38.838 1.00 17.86 ? 51  GLU B CB  1 
ATOM   388  C CG  . GLU A 1 45  ? -31.712 -11.453 -40.014 1.00 21.43 ? 51  GLU B CG  1 
ATOM   389  C CD  . GLU A 1 45  ? -30.545 -10.481 -40.165 1.00 26.78 ? 51  GLU B CD  1 
ATOM   390  O OE1 . GLU A 1 45  ? -30.525 -9.686  -41.150 1.00 32.28 ? 51  GLU B OE1 1 
ATOM   391  O OE2 . GLU A 1 45  ? -29.658 -10.460 -39.291 1.00 30.36 ? 51  GLU B OE2 1 
ATOM   392  N N   . ARG A 1 46  ? -35.568 -10.491 -37.399 1.00 13.50 ? 52  ARG B N   1 
ATOM   393  C CA  . ARG A 1 46  ? -36.087 -9.791  -36.194 1.00 12.73 ? 52  ARG B CA  1 
ATOM   394  C C   . ARG A 1 46  ? -36.803 -10.734 -35.263 1.00 12.81 ? 52  ARG B C   1 
ATOM   395  O O   . ARG A 1 46  ? -37.662 -11.540 -35.665 1.00 13.51 ? 52  ARG B O   1 
ATOM   396  C CB  . ARG A 1 46  ? -37.095 -8.719  -36.616 1.00 11.59 ? 52  ARG B CB  1 
ATOM   397  C CG  . ARG A 1 46  ? -36.519 -7.594  -37.439 1.00 13.00 ? 52  ARG B CG  1 
ATOM   398  C CD  . ARG A 1 46  ? -37.439 -6.334  -37.382 1.00 12.53 ? 52  ARG B CD  1 
ATOM   399  N NE  . ARG A 1 46  ? -36.917 -5.304  -38.262 1.00 14.08 ? 52  ARG B NE  1 
ATOM   400  C CZ  . ARG A 1 46  ? -35.819 -4.588  -38.050 1.00 13.74 ? 52  ARG B CZ  1 
ATOM   401  N NH1 . ARG A 1 46  ? -35.205 -4.622  -36.870 1.00 12.77 ? 52  ARG B NH1 1 
ATOM   402  N NH2 . ARG A 1 46  ? -35.345 -3.769  -38.993 1.00 15.61 ? 52  ARG B NH2 1 
ATOM   403  N N   . PHE A 1 47  ? -36.505 -10.654 -33.975 1.00 11.60 ? 53  PHE B N   1 
ATOM   404  C CA  . PHE A 1 47  ? -37.326 -11.357 -32.985 1.00 11.34 ? 53  PHE B CA  1 
ATOM   405  C C   . PHE A 1 47  ? -38.741 -10.744 -32.995 1.00 13.20 ? 53  PHE B C   1 
ATOM   406  O O   . PHE A 1 47  ? -38.898 -9.564  -32.741 1.00 13.35 ? 53  PHE B O   1 
ATOM   407  C CB  . PHE A 1 47  ? -36.723 -11.260 -31.588 1.00 10.49 ? 53  PHE B CB  1 
ATOM   408  C CG  . PHE A 1 47  ? -35.487 -12.118 -31.444 1.00 10.26 ? 53  PHE B CG  1 
ATOM   409  C CD1 . PHE A 1 47  ? -35.608 -13.473 -31.194 1.00 10.77 ? 53  PHE B CD1 1 
ATOM   410  C CD2 . PHE A 1 47  ? -34.214 -11.572 -31.521 1.00 10.95 ? 53  PHE B CD2 1 
ATOM   411  C CE1 . PHE A 1 47  ? -34.481 -14.277 -31.065 1.00 11.63 ? 53  PHE B CE1 1 
ATOM   412  C CE2 . PHE A 1 47  ? -33.081 -12.388 -31.371 1.00 10.86 ? 53  PHE B CE2 1 
ATOM   413  C CZ  . PHE A 1 47  ? -33.234 -13.737 -31.138 1.00 10.34 ? 53  PHE B CZ  1 
ATOM   414  N N   . SER A 1 48  ? -39.765 -11.538 -33.235 1.00 13.28 ? 54  SER B N   1 
ATOM   415  C CA  . SER A 1 48  ? -41.143 -11.001 -33.454 1.00 14.64 ? 54  SER B CA  1 
ATOM   416  C C   . SER A 1 48  ? -41.898 -10.902 -32.146 1.00 14.77 ? 54  SER B C   1 
ATOM   417  O O   . SER A 1 48  ? -42.716 -9.933  -32.009 1.00 17.12 ? 54  SER B O   1 
ATOM   418  C CB  . SER A 1 48  ? -41.881 -11.873 -34.476 1.00 15.94 ? 54  SER B CB  1 
ATOM   419  O OG  . SER A 1 48  ? -42.035 -13.205 -34.035 1.00 15.36 ? 54  SER B OG  1 
ATOM   420  N N   . ASN A 1 49  ? -41.761 -11.817 -31.209 1.00 13.48 ? 55  ASN B N   1 
ATOM   421  C CA  . ASN A 1 49  ? -42.704 -11.981 -30.079 1.00 14.50 ? 55  ASN B CA  1 
ATOM   422  C C   . ASN A 1 49  ? -42.209 -11.323 -28.792 1.00 13.21 ? 55  ASN B C   1 
ATOM   423  O O   . ASN A 1 49  ? -42.989 -11.178 -27.849 1.00 14.91 ? 55  ASN B O   1 
ATOM   424  C CB  . ASN A 1 49  ? -43.008 -13.443 -29.781 1.00 16.94 ? 55  ASN B CB  1 
ATOM   425  C CG  . ASN A 1 49  ? -43.934 -14.096 -30.804 1.00 18.75 ? 55  ASN B CG  1 
ATOM   426  O OD1 . ASN A 1 49  ? -43.766 -13.933 -32.013 1.00 22.36 ? 55  ASN B OD1 1 
ATOM   427  N ND2 . ASN A 1 49  ? -44.939 -14.785 -30.288 1.00 24.56 ? 55  ASN B ND2 1 
ATOM   428  N N   . TYR A 1 50  ? -40.911 -11.012 -28.696 1.00 11.81 ? 56  TYR B N   1 
ATOM   429  C CA  . TYR A 1 50  ? -40.298 -10.523 -27.441 1.00 11.17 ? 56  TYR B CA  1 
ATOM   430  C C   . TYR A 1 50  ? -39.344 -9.380  -27.762 1.00 9.84  ? 56  TYR B C   1 
ATOM   431  O O   . TYR A 1 50  ? -38.820 -9.301  -28.868 1.00 11.00 ? 56  TYR B O   1 
ATOM   432  C CB  . TYR A 1 50  ? -39.499 -11.654 -26.784 1.00 11.57 ? 56  TYR B CB  1 
ATOM   433  C CG  . TYR A 1 50  ? -40.212 -12.983 -26.697 1.00 12.73 ? 56  TYR B CG  1 
ATOM   434  C CD1 . TYR A 1 50  ? -41.198 -13.184 -25.738 1.00 14.88 ? 56  TYR B CD1 1 
ATOM   435  C CD2 . TYR A 1 50  ? -39.937 -14.045 -27.548 1.00 14.05 ? 56  TYR B CD2 1 
ATOM   436  C CE1 . TYR A 1 50  ? -41.853 -14.407 -25.612 1.00 16.25 ? 56  TYR B CE1 1 
ATOM   437  C CE2 . TYR A 1 50  ? -40.621 -15.251 -27.477 1.00 13.97 ? 56  TYR B CE2 1 
ATOM   438  C CZ  . TYR A 1 50  ? -41.576 -15.435 -26.494 1.00 15.06 ? 56  TYR B CZ  1 
ATOM   439  O OH  . TYR A 1 50  ? -42.198 -16.654 -26.396 1.00 16.87 ? 56  TYR B OH  1 
ATOM   440  N N   . PRO A 1 51  ? -39.032 -8.508  -26.776 1.00 10.02 ? 57  PRO B N   1 
ATOM   441  C CA  . PRO A 1 51  ? -38.173 -7.344  -26.992 1.00 10.38 ? 57  PRO B CA  1 
ATOM   442  C C   . PRO A 1 51  ? -36.656 -7.672  -26.982 1.00 9.22  ? 57  PRO B C   1 
ATOM   443  O O   . PRO A 1 51  ? -35.894 -7.152  -26.201 1.00 9.76  ? 57  PRO B O   1 
ATOM   444  C CB  . PRO A 1 51  ? -38.581 -6.349  -25.866 1.00 11.81 ? 57  PRO B CB  1 
ATOM   445  C CG  . PRO A 1 51  ? -39.743 -6.983  -25.174 1.00 13.10 ? 57  PRO B CG  1 
ATOM   446  C CD  . PRO A 1 51  ? -39.678 -8.441  -25.471 1.00 10.85 ? 57  PRO B CD  1 
ATOM   447  N N   . MET A 1 52  ? -36.273 -8.546  -27.927 1.00 9.37  ? 58  MET B N   1 
ATOM   448  C CA  . MET A 1 52  ? -34.938 -9.170  -28.000 1.00 8.32  ? 58  MET B CA  1 
ATOM   449  C C   . MET A 1 52  ? -34.147 -8.579  -29.150 1.00 9.15  ? 58  MET B C   1 
ATOM   450  O O   . MET A 1 52  ? -34.658 -8.086  -30.188 1.00 9.79  ? 58  MET B O   1 
ATOM   451  C CB  . MET A 1 52  ? -35.055 -10.670 -28.182 1.00 8.96  ? 58  MET B CB  1 
ATOM   452  C CG  . MET A 1 52  ? -35.605 -11.366 -26.984 1.00 9.12  ? 58  MET B CG  1 
ATOM   453  S SD  . MET A 1 52  ? -36.115 -13.059 -27.398 1.00 10.61 ? 58  MET B SD  1 
ATOM   454  C CE  . MET A 1 52  ? -36.743 -13.682 -25.851 1.00 11.64 ? 58  MET B CE  1 
ATOM   455  N N   . VAL A 1 53  ? -32.816 -8.627  -28.999 1.00 8.97  ? 59  VAL B N   1 
ATOM   456  C CA  . VAL A 1 53  ? -31.831 -8.166  -30.007 1.00 9.04  ? 59  VAL B CA  1 
ATOM   457  C C   . VAL A 1 53  ? -30.539 -8.955  -29.801 1.00 9.31  ? 59  VAL B C   1 
ATOM   458  O O   . VAL A 1 53  ? -30.237 -9.342  -28.643 1.00 9.95  ? 59  VAL B O   1 
ATOM   459  C CB  . VAL A 1 53  ? -31.625 -6.635  -29.957 1.00 9.70  ? 59  VAL B CB  1 
ATOM   460  C CG1 . VAL A 1 53  ? -31.095 -6.174  -28.619 1.00 10.10 ? 59  VAL B CG1 1 
ATOM   461  C CG2 . VAL A 1 53  ? -30.760 -6.110  -31.099 1.00 10.31 ? 59  VAL B CG2 1 
ATOM   462  N N   . LEU A 1 54  ? -29.766 -9.127  -30.853 1.00 9.28  ? 60  LEU B N   1 
ATOM   463  C CA  . LEU A 1 54  ? -28.441 -9.792  -30.776 1.00 9.35  ? 60  LEU B CA  1 
ATOM   464  C C   . LEU A 1 54  ? -27.323 -8.790  -30.892 1.00 10.11 ? 60  LEU B C   1 
ATOM   465  O O   . LEU A 1 54  ? -27.443 -7.712  -31.586 1.00 11.13 ? 60  LEU B O   1 
ATOM   466  C CB  . LEU A 1 54  ? -28.267 -10.830 -31.879 1.00 10.01 ? 60  LEU B CB  1 
ATOM   467  C CG  . LEU A 1 54  ? -29.345 -11.895 -31.908 1.00 10.28 ? 60  LEU B CG  1 
ATOM   468  C CD1 . LEU A 1 54  ? -29.065 -12.976 -32.940 1.00 12.20 ? 60  LEU B CD1 1 
ATOM   469  C CD2 . LEU A 1 54  ? -29.528 -12.565 -30.562 1.00 10.58 ? 60  LEU B CD2 1 
ATOM   470  N N   . GLY A 1 55  ? -26.165 -9.109  -30.315 1.00 10.00 ? 61  GLY B N   1 
ATOM   471  C CA  . GLY A 1 55  ? -24.893 -8.445  -30.686 1.00 10.26 ? 61  GLY B CA  1 
ATOM   472  C C   . GLY A 1 55  ? -24.502 -8.747  -32.134 1.00 10.23 ? 61  GLY B C   1 
ATOM   473  O O   . GLY A 1 55  ? -24.822 -9.810  -32.635 1.00 10.86 ? 61  GLY B O   1 
ATOM   474  N N   . ALA A 1 56  ? -23.745 -7.849  -32.747 1.00 11.55 ? 62  ALA B N   1 
ATOM   475  C CA  . ALA A 1 56  ? -23.256 -8.037  -34.136 1.00 13.45 ? 62  ALA B CA  1 
ATOM   476  C C   . ALA A 1 56  ? -22.140 -9.081  -34.169 1.00 14.36 ? 62  ALA B C   1 
ATOM   477  O O   . ALA A 1 56  ? -21.969 -9.779  -35.178 1.00 17.14 ? 62  ALA B O   1 
ATOM   478  C CB  . ALA A 1 56  ? -22.776 -6.724  -34.667 1.00 15.13 ? 62  ALA B CB  1 
ATOM   479  N N   . GLN A 1 57  ? -21.404 -9.195  -33.085 1.00 13.09 ? 63  GLN B N   1 
ATOM   480  C CA  . GLN A 1 57  ? -20.193 -10.060 -33.060 1.00 13.80 ? 63  GLN B CA  1 
ATOM   481  C C   . GLN A 1 57  ? -20.614 -11.530 -33.044 1.00 14.51 ? 63  GLN B C   1 
ATOM   482  O O   . GLN A 1 57  ? -21.635 -11.930 -32.417 1.00 14.95 ? 63  GLN B O   1 
ATOM   483  C CB  . GLN A 1 57  ? -19.325 -9.703  -31.845 1.00 15.95 ? 63  GLN B CB  1 
ATOM   484  C CG  . GLN A 1 57  ? -18.653 -8.345  -31.930 1.00 17.39 ? 63  GLN B CG  1 
ATOM   485  C CD  . GLN A 1 57  ? -19.603 -7.169  -31.797 1.00 17.17 ? 63  GLN B CD  1 
ATOM   486  O OE1 . GLN A 1 57  ? -20.553 -7.248  -31.030 1.00 16.28 ? 63  GLN B OE1 1 
ATOM   487  N NE2 . GLN A 1 57  ? -19.369 -6.077  -32.502 1.00 19.60 ? 63  GLN B NE2 1 
ATOM   488  N N   . ARG A 1 58  ? -19.881 -12.378 -33.751 1.00 14.69 ? 64  ARG B N   1 
ATOM   489  C CA  . ARG A 1 58  ? -20.026 -13.846 -33.760 1.00 14.70 ? 64  ARG B CA  1 
ATOM   490  C C   . ARG A 1 58  ? -18.760 -14.482 -33.209 1.00 13.19 ? 64  ARG B C   1 
ATOM   491  O O   . ARG A 1 58  ? -17.651 -14.024 -33.568 1.00 16.22 ? 64  ARG B O   1 
ATOM   492  C CB  . ARG A 1 58  ? -20.201 -14.435 -35.176 1.00 18.88 ? 64  ARG B CB  1 
ATOM   493  C CG  . ARG A 1 58  ? -21.567 -14.275 -35.846 1.00 26.63 ? 64  ARG B CG  1 
ATOM   494  C CD  . ARG A 1 58  ? -22.065 -12.856 -35.725 1.00 28.26 ? 64  ARG B CD  1 
ATOM   495  N NE  . ARG A 1 58  ? -22.918 -12.108 -36.655 1.00 33.52 ? 64  ARG B NE  1 
ATOM   496  C CZ  . ARG A 1 58  ? -23.628 -12.556 -37.685 1.00 32.06 ? 64  ARG B CZ  1 
ATOM   497  N NH1 . ARG A 1 58  ? -24.340 -11.685 -38.384 1.00 35.75 ? 64  ARG B NH1 1 
ATOM   498  N NH2 . ARG A 1 58  ? -23.632 -13.825 -38.033 1.00 31.51 ? 64  ARG B NH2 1 
ATOM   499  N N   . PHE A 1 59  ? -18.905 -15.420 -32.314 1.00 11.84 ? 65  PHE B N   1 
ATOM   500  C CA  . PHE A 1 59  ? -17.744 -16.083 -31.673 1.00 12.77 ? 65  PHE B CA  1 
ATOM   501  C C   . PHE A 1 59  ? -17.808 -17.575 -31.926 1.00 11.79 ? 65  PHE B C   1 
ATOM   502  O O   . PHE A 1 59  ? -18.815 -18.216 -31.673 1.00 11.79 ? 65  PHE B O   1 
ATOM   503  C CB  . PHE A 1 59  ? -17.784 -15.823 -30.153 1.00 14.10 ? 65  PHE B CB  1 
ATOM   504  C CG  . PHE A 1 59  ? -17.801 -14.351 -29.768 1.00 16.20 ? 65  PHE B CG  1 
ATOM   505  C CD1 . PHE A 1 59  ? -16.801 -13.530 -30.256 1.00 18.17 ? 65  PHE B CD1 1 
ATOM   506  C CD2 . PHE A 1 59  ? -18.786 -13.789 -28.986 1.00 22.22 ? 65  PHE B CD2 1 
ATOM   507  C CE1 . PHE A 1 59  ? -16.742 -12.178 -29.952 1.00 21.23 ? 65  PHE B CE1 1 
ATOM   508  C CE2 . PHE A 1 59  ? -18.721 -12.429 -28.657 1.00 18.22 ? 65  PHE B CE2 1 
ATOM   509  C CZ  . PHE A 1 59  ? -17.737 -11.640 -29.189 1.00 20.01 ? 65  PHE B CZ  1 
ATOM   510  N N   A SER A 1 60  ? -16.693 -18.153 -32.396 0.25 12.28 ? 66  SER B N   1 
ATOM   511  N N   B SER A 1 60  ? -16.702 -18.151 -32.412 0.25 12.17 ? 66  SER B N   1 
ATOM   512  C CA  A SER A 1 60  ? -16.592 -19.601 -32.720 0.25 12.80 ? 66  SER B CA  1 
ATOM   513  C CA  B SER A 1 60  ? -16.569 -19.608 -32.675 0.25 12.61 ? 66  SER B CA  1 
ATOM   514  C C   A SER A 1 60  ? -15.378 -20.258 -32.035 0.25 12.70 ? 66  SER B C   1 
ATOM   515  C C   B SER A 1 60  ? -15.290 -20.166 -32.060 0.25 12.79 ? 66  SER B C   1 
ATOM   516  O O   A SER A 1 60  ? -15.240 -21.497 -32.151 0.25 12.39 ? 66  SER B O   1 
ATOM   517  O O   B SER A 1 60  ? -14.875 -21.249 -32.466 0.25 11.43 ? 66  SER B O   1 
ATOM   518  C CB  A SER A 1 60  ? -16.617 -19.811 -34.229 0.25 13.17 ? 66  SER B CB  1 
ATOM   519  C CB  B SER A 1 60  ? -16.556 -19.887 -34.140 0.25 12.79 ? 66  SER B CB  1 
ATOM   520  O OG  A SER A 1 60  ? -17.960 -19.670 -34.735 0.25 14.34 ? 66  SER B OG  1 
ATOM   521  O OG  B SER A 1 60  ? -15.511 -19.154 -34.731 0.25 13.65 ? 66  SER B OG  1 
ATOM   522  N N   A SER A 1 61  ? -14.584 -19.479 -31.289 0.25 12.11 ? 67  SER B N   1 
ATOM   523  N N   B SER A 1 61  ? -14.658 -19.433 -31.157 0.25 13.10 ? 67  SER B N   1 
ATOM   524  C CA  A SER A 1 61  ? -13.391 -19.944 -30.532 0.25 12.72 ? 67  SER B CA  1 
ATOM   525  C CA  B SER A 1 61  ? -13.385 -19.863 -30.546 0.25 14.48 ? 67  SER B CA  1 
ATOM   526  C C   A SER A 1 61  ? -13.073 -18.955 -29.405 0.25 13.04 ? 67  SER B C   1 
ATOM   527  C C   B SER A 1 61  ? -12.980 -18.869 -29.463 0.25 13.97 ? 67  SER B C   1 
ATOM   528  O O   A SER A 1 61  ? -13.686 -17.888 -29.377 0.25 13.21 ? 67  SER B O   1 
ATOM   529  O O   B SER A 1 61  ? -13.414 -17.693 -29.550 0.25 13.89 ? 67  SER B O   1 
ATOM   530  C CB  A SER A 1 61  ? -12.186 -20.075 -31.454 0.25 13.04 ? 67  SER B CB  1 
ATOM   531  C CB  B SER A 1 61  ? -12.323 -19.961 -31.619 0.25 15.88 ? 67  SER B CB  1 
ATOM   532  O OG  A SER A 1 61  ? -11.751 -18.800 -31.900 0.25 13.10 ? 67  SER B OG  1 
ATOM   533  O OG  B SER A 1 61  ? -11.150 -20.543 -31.091 0.25 18.80 ? 67  SER B OG  1 
ATOM   534  N N   . GLY A 1 62  ? -12.136 -19.305 -28.527 1.00 14.50 ? 68  GLY B N   1 
ATOM   535  C CA  . GLY A 1 62  ? -11.529 -18.352 -27.587 1.00 15.70 ? 68  GLY B CA  1 
ATOM   536  C C   . GLY A 1 62  ? -12.381 -18.046 -26.368 1.00 12.43 ? 68  GLY B C   1 
ATOM   537  O O   . GLY A 1 62  ? -13.386 -18.711 -26.094 1.00 14.34 ? 68  GLY B O   1 
ATOM   538  N N   . LYS A 1 63  ? -11.872 -17.070 -25.648 1.00 12.72 ? 69  LYS B N   1 
ATOM   539  C CA  . LYS A 1 63  ? -12.463 -16.576 -24.407 1.00 13.08 ? 69  LYS B CA  1 
ATOM   540  C C   . LYS A 1 63  ? -12.888 -15.131 -24.641 1.00 13.21 ? 69  LYS B C   1 
ATOM   541  O O   . LYS A 1 63  ? -12.097 -14.311 -25.164 1.00 14.57 ? 69  LYS B O   1 
ATOM   542  C CB  . LYS A 1 63  ? -11.435 -16.700 -23.290 1.00 14.50 ? 69  LYS B CB  1 
ATOM   543  C CG  . LYS A 1 63  ? -11.044 -18.128 -22.922 1.00 14.73 ? 69  LYS B CG  1 
ATOM   544  C CD  . LYS A 1 63  ? -9.879  -18.192 -21.885 1.00 17.52 ? 69  LYS B CD  1 
ATOM   545  C CE  . LYS A 1 63  ? -9.565  -19.600 -21.431 1.00 19.37 ? 69  LYS B CE  1 
ATOM   546  N NZ  . LYS A 1 63  ? -8.494  -19.634 -20.402 1.00 22.31 ? 69  LYS B NZ  1 
ATOM   547  N N   . MET A 1 64  ? -14.091 -14.785 -24.200 1.00 11.74 ? 70  MET B N   1 
ATOM   548  C CA  . MET A 1 64  ? -14.703 -13.458 -24.407 1.00 11.60 ? 70  MET B CA  1 
ATOM   549  C C   . MET A 1 64  ? -15.372 -13.003 -23.118 1.00 11.35 ? 70  MET B C   1 
ATOM   550  O O   . MET A 1 64  ? -15.947 -13.842 -22.420 1.00 12.12 ? 70  MET B O   1 
ATOM   551  C CB  . MET A 1 64  ? -15.809 -13.525 -25.443 1.00 11.95 ? 70  MET B CB  1 
ATOM   552  C CG  . MET A 1 64  ? -15.400 -13.723 -26.879 1.00 13.03 ? 70  MET B CG  1 
ATOM   553  S SD  . MET A 1 64  ? -14.651 -15.296 -27.415 1.00 15.02 ? 70  MET B SD  1 
ATOM   554  C CE  . MET A 1 64  ? -15.868 -16.496 -26.948 1.00 14.85 ? 70  MET B CE  1 
ATOM   555  N N   . TYR A 1 65  ? -15.337 -11.722 -22.827 1.00 11.52 ? 71  TYR B N   1 
ATOM   556  C CA  . TYR A 1 65  ? -15.947 -11.153 -21.602 1.00 11.30 ? 71  TYR B CA  1 
ATOM   557  C C   . TYR A 1 65  ? -16.561 -9.817  -21.979 1.00 11.95 ? 71  TYR B C   1 
ATOM   558  O O   . TYR A 1 65  ? -15.924 -8.988  -22.695 1.00 12.24 ? 71  TYR B O   1 
ATOM   559  C CB  . TYR A 1 65  ? -14.893 -10.964 -20.506 1.00 12.31 ? 71  TYR B CB  1 
ATOM   560  C CG  . TYR A 1 65  ? -15.407 -10.353 -19.233 1.00 12.48 ? 71  TYR B CG  1 
ATOM   561  C CD1 . TYR A 1 65  ? -16.126 -11.115 -18.338 1.00 12.24 ? 71  TYR B CD1 1 
ATOM   562  C CD2 . TYR A 1 65  ? -15.226 -8.995  -18.957 1.00 12.21 ? 71  TYR B CD2 1 
ATOM   563  C CE1 . TYR A 1 65  ? -16.651 -10.564 -17.173 1.00 13.24 ? 71  TYR B CE1 1 
ATOM   564  C CE2 . TYR A 1 65  ? -15.739 -8.438  -17.791 1.00 12.06 ? 71  TYR B CE2 1 
ATOM   565  C CZ  . TYR A 1 65  ? -16.451 -9.213  -16.908 1.00 12.46 ? 71  TYR B CZ  1 
ATOM   566  O OH  . TYR A 1 65  ? -16.966 -8.682  -15.764 1.00 14.46 ? 71  TYR B OH  1 
ATOM   567  N N   . TRP A 1 66  ? -17.758 -9.539  -21.473 1.00 10.43 ? 72  TRP B N   1 
ATOM   568  C CA  . TRP A 1 66  ? -18.347 -8.179  -21.567 1.00 10.59 ? 72  TRP B CA  1 
ATOM   569  C C   . TRP A 1 66  ? -19.242 -7.939  -20.349 1.00 10.67 ? 72  TRP B C   1 
ATOM   570  O O   . TRP A 1 66  ? -19.574 -8.872  -19.611 1.00 11.12 ? 72  TRP B O   1 
ATOM   571  C CB  . TRP A 1 66  ? -19.091 -7.980  -22.913 1.00 10.45 ? 72  TRP B CB  1 
ATOM   572  C CG  . TRP A 1 66  ? -20.255 -8.873  -23.175 1.00 10.06 ? 72  TRP B CG  1 
ATOM   573  C CD1 . TRP A 1 66  ? -21.584 -8.583  -22.984 1.00 10.30 ? 72  TRP B CD1 1 
ATOM   574  C CD2 . TRP A 1 66  ? -20.253 -10.180 -23.751 1.00 11.08 ? 72  TRP B CD2 1 
ATOM   575  N NE1 . TRP A 1 66  ? -22.385 -9.625  -23.373 1.00 10.23 ? 72  TRP B NE1 1 
ATOM   576  C CE2 . TRP A 1 66  ? -21.585 -10.622 -23.848 1.00 10.93 ? 72  TRP B CE2 1 
ATOM   577  C CE3 . TRP A 1 66  ? -19.229 -11.048 -24.159 1.00 12.04 ? 72  TRP B CE3 1 
ATOM   578  C CZ2 . TRP A 1 66  ? -21.923 -11.859 -24.358 1.00 11.05 ? 72  TRP B CZ2 1 
ATOM   579  C CZ3 . TRP A 1 66  ? -19.559 -12.275 -24.691 1.00 14.08 ? 72  TRP B CZ3 1 
ATOM   580  C CH2 . TRP A 1 66  ? -20.888 -12.689 -24.764 1.00 13.00 ? 72  TRP B CH2 1 
ATOM   581  N N   . GLU A 1 67  ? -19.632 -6.675  -20.175 1.00 10.65 ? 73  GLU B N   1 
ATOM   582  C CA  . GLU A 1 67  ? -20.491 -6.232  -19.059 1.00 10.54 ? 73  GLU B CA  1 
ATOM   583  C C   . GLU A 1 67  ? -21.704 -5.450  -19.542 1.00 9.79  ? 73  GLU B C   1 
ATOM   584  O O   . GLU A 1 67  ? -21.631 -4.733  -20.527 1.00 10.68 ? 73  GLU B O   1 
ATOM   585  C CB  . GLU A 1 67  ? -19.689 -5.379  -18.081 1.00 11.86 ? 73  GLU B CB  1 
ATOM   586  C CG  . GLU A 1 67  ? -18.639 -6.209  -17.350 1.00 13.91 ? 73  GLU B CG  1 
ATOM   587  C CD  . GLU A 1 67  ? -17.771 -5.448  -16.369 1.00 16.39 ? 73  GLU B CD  1 
ATOM   588  O OE1 . GLU A 1 67  ? -17.921 -4.196  -16.279 1.00 21.08 ? 73  GLU B OE1 1 
ATOM   589  O OE2 . GLU A 1 67  ? -16.923 -6.116  -15.660 1.00 15.51 ? 73  GLU B OE2 1 
ATOM   590  N N   . VAL A 1 68  ? -22.802 -5.656  -18.832 1.00 10.00 ? 74  VAL B N   1 
ATOM   591  C CA  . VAL A 1 68  ? -24.083 -5.009  -19.158 1.00 9.93  ? 74  VAL B CA  1 
ATOM   592  C C   . VAL A 1 68  ? -24.644 -4.345  -17.919 1.00 9.79  ? 74  VAL B C   1 
ATOM   593  O O   . VAL A 1 68  ? -24.752 -4.975  -16.858 1.00 11.05 ? 74  VAL B O   1 
ATOM   594  C CB  . VAL A 1 68  ? -25.090 -6.019  -19.723 1.00 10.08 ? 74  VAL B CB  1 
ATOM   595  C CG1 . VAL A 1 68  ? -26.350 -5.316  -20.162 1.00 11.26 ? 74  VAL B CG1 1 
ATOM   596  C CG2 . VAL A 1 68  ? -24.487 -6.881  -20.820 1.00 11.09 ? 74  VAL B CG2 1 
ATOM   597  N N   . ASP A 1 69  ? -25.084 -3.091  -18.096 1.00 10.27 ? 75  ASP B N   1 
ATOM   598  C CA  . ASP A 1 69  ? -25.753 -2.308  -17.039 1.00 11.29 ? 75  ASP B CA  1 
ATOM   599  C C   . ASP A 1 69  ? -27.246 -2.579  -17.086 1.00 9.66  ? 75  ASP B C   1 
ATOM   600  O O   . ASP A 1 69  ? -27.875 -2.454  -18.196 1.00 10.42 ? 75  ASP B O   1 
ATOM   601  C CB  . ASP A 1 69  ? -25.480 -0.802  -17.201 1.00 12.78 ? 75  ASP B CB  1 
ATOM   602  C CG  . ASP A 1 69  ? -25.860 0.006   -15.964 1.00 15.50 ? 75  ASP B CG  1 
ATOM   603  O OD1 . ASP A 1 69  ? -26.989 -0.012  -15.598 1.00 14.67 ? 75  ASP B OD1 1 
ATOM   604  O OD2 . ASP A 1 69  ? -24.946 0.431   -15.226 1.00 19.58 ? 75  ASP B OD2 1 
ATOM   605  N N   . VAL A 1 70  ? -27.822 -2.983  -15.946 1.00 9.92  ? 76  VAL B N   1 
ATOM   606  C CA  . VAL A 1 70  ? -29.271 -3.322  -15.780 1.00 10.86 ? 76  VAL B CA  1 
ATOM   607  C C   . VAL A 1 70  ? -29.962 -2.420  -14.736 1.00 11.35 ? 76  VAL B C   1 
ATOM   608  O O   . VAL A 1 70  ? -31.028 -2.772  -14.241 1.00 11.50 ? 76  VAL B O   1 
ATOM   609  C CB  . VAL A 1 70  ? -29.420 -4.831  -15.426 1.00 10.48 ? 76  VAL B CB  1 
ATOM   610  C CG1 . VAL A 1 70  ? -28.882 -5.766  -16.535 1.00 10.37 ? 76  VAL B CG1 1 
ATOM   611  C CG2 . VAL A 1 70  ? -28.788 -5.207  -14.097 1.00 11.49 ? 76  VAL B CG2 1 
ATOM   612  N N   . THR A 1 71  ? -29.317 -1.312  -14.385 1.00 11.66 ? 77  THR B N   1 
ATOM   613  C CA  . THR A 1 71  ? -29.816 -0.386  -13.346 1.00 13.33 ? 77  THR B CA  1 
ATOM   614  C C   . THR A 1 71  ? -31.303 -0.074  -13.556 1.00 13.20 ? 77  THR B C   1 
ATOM   615  O O   . THR A 1 71  ? -31.735 0.287   -14.654 1.00 13.42 ? 77  THR B O   1 
ATOM   616  C CB  . THR A 1 71  ? -29.025 0.919   -13.365 1.00 13.48 ? 77  THR B CB  1 
ATOM   617  O OG1 . THR A 1 71  ? -27.641 0.660   -13.091 1.00 15.96 ? 77  THR B OG1 1 
ATOM   618  C CG2 . THR A 1 71  ? -29.594 1.912   -12.368 1.00 15.93 ? 77  THR B CG2 1 
ATOM   619  N N   . GLN A 1 72  ? -32.025 -0.218  -12.454 1.00 15.57 ? 78  GLN B N   1 
ATOM   620  C CA  . GLN A 1 72  ? -33.463 0.082   -12.210 1.00 17.90 ? 78  GLN B CA  1 
ATOM   621  C C   . GLN A 1 72  ? -34.410 -0.700  -13.109 1.00 17.66 ? 78  GLN B C   1 
ATOM   622  O O   . GLN A 1 72  ? -35.622 -0.386  -13.122 1.00 22.48 ? 78  GLN B O   1 
ATOM   623  C CB  . GLN A 1 72  ? -33.726 1.579   -12.275 1.00 24.83 ? 78  GLN B CB  1 
ATOM   624  C CG  . GLN A 1 72  ? -33.528 2.214   -13.635 1.00 30.36 ? 78  GLN B CG  1 
ATOM   625  C CD  . GLN A 1 72  ? -34.617 3.217   -13.930 1.00 33.57 ? 78  GLN B CD  1 
ATOM   626  O OE1 . GLN A 1 72  ? -34.378 4.254   -14.547 1.00 36.91 ? 78  GLN B OE1 1 
ATOM   627  N NE2 . GLN A 1 72  ? -35.839 2.869   -13.550 1.00 37.83 ? 78  GLN B NE2 1 
ATOM   628  N N   . LYS A 1 73  ? -33.980 -1.756  -13.775 1.00 13.01 ? 79  LYS B N   1 
ATOM   629  C CA  . LYS A 1 73  ? -34.921 -2.607  -14.510 1.00 11.21 ? 79  LYS B CA  1 
ATOM   630  C C   . LYS A 1 73  ? -35.617 -3.608  -13.600 1.00 10.51 ? 79  LYS B C   1 
ATOM   631  O O   . LYS A 1 73  ? -34.977 -4.159  -12.645 1.00 12.32 ? 79  LYS B O   1 
ATOM   632  C CB  . LYS A 1 73  ? -34.205 -3.299  -15.670 1.00 11.27 ? 79  LYS B CB  1 
ATOM   633  C CG  . LYS A 1 73  ? -33.751 -2.306  -16.760 1.00 11.62 ? 79  LYS B CG  1 
ATOM   634  C CD  . LYS A 1 73  ? -33.256 -2.946  -18.033 1.00 11.66 ? 79  LYS B CD  1 
ATOM   635  C CE  . LYS A 1 73  ? -34.329 -3.675  -18.810 1.00 11.35 ? 79  LYS B CE  1 
ATOM   636  N NZ  . LYS A 1 73  ? -35.527 -2.833  -19.130 1.00 9.94  ? 79  LYS B NZ  1 
ATOM   637  N N   . GLU A 1 74  ? -36.841 -3.935  -13.950 1.00 9.84  ? 80  GLU B N   1 
ATOM   638  C CA  . GLU A 1 74  ? -37.646 -4.942  -13.239 1.00 9.62  ? 80  GLU B CA  1 
ATOM   639  C C   . GLU A 1 74  ? -37.583 -6.304  -13.928 1.00 9.61  ? 80  GLU B C   1 
ATOM   640  O O   . GLU A 1 74  ? -37.964 -7.311  -13.356 1.00 10.55 ? 80  GLU B O   1 
ATOM   641  C CB  . GLU A 1 74  ? -39.129 -4.529  -13.221 1.00 10.93 ? 80  GLU B CB  1 
ATOM   642  C CG  . GLU A 1 74  ? -39.448 -3.285  -12.426 1.00 11.59 ? 80  GLU B CG  1 
ATOM   643  C CD  . GLU A 1 74  ? -40.906 -2.851  -12.547 1.00 11.99 ? 80  GLU B CD  1 
ATOM   644  O OE1 . GLU A 1 74  ? -41.291 -2.022  -11.713 1.00 14.96 ? 80  GLU B OE1 1 
ATOM   645  O OE2 . GLU A 1 74  ? -41.614 -3.372  -13.413 1.00 13.58 ? 80  GLU B OE2 1 
ATOM   646  N N   . ALA A 1 75  ? -37.232 -6.361  -15.216 1.00 9.40  ? 81  ALA B N   1 
ATOM   647  C CA  . ALA A 1 75  ? -37.233 -7.605  -15.995 1.00 9.42  ? 81  ALA B CA  1 
ATOM   648  C C   . ALA A 1 75  ? -36.253 -7.464  -17.149 1.00 10.32 ? 81  ALA B C   1 
ATOM   649  O O   . ALA A 1 75  ? -36.196 -6.411  -17.829 1.00 9.99  ? 81  ALA B O   1 
ATOM   650  C CB  . ALA A 1 75  ? -38.606 -7.913  -16.523 1.00 10.59 ? 81  ALA B CB  1 
ATOM   651  N N   . TRP A 1 76  ? -35.528 -8.552  -17.436 1.00 9.50  ? 82  TRP B N   1 
ATOM   652  C CA  . TRP A 1 76  ? -34.548 -8.635  -18.558 1.00 8.71  ? 82  TRP B CA  1 
ATOM   653  C C   . TRP A 1 76  ? -34.051 -10.056 -18.651 1.00 9.14  ? 82  TRP B C   1 
ATOM   654  O O   . TRP A 1 76  ? -34.135 -10.816 -17.668 1.00 9.62  ? 82  TRP B O   1 
ATOM   655  C CB  . TRP A 1 76  ? -33.377 -7.660  -18.360 1.00 9.36  ? 82  TRP B CB  1 
ATOM   656  C CG  . TRP A 1 76  ? -32.710 -7.667  -17.032 1.00 9.43  ? 82  TRP B CG  1 
ATOM   657  C CD1 . TRP A 1 76  ? -32.913 -6.826  -15.984 1.00 10.47 ? 82  TRP B CD1 1 
ATOM   658  C CD2 . TRP A 1 76  ? -31.755 -8.619  -16.492 1.00 9.84  ? 82  TRP B CD2 1 
ATOM   659  N NE1 . TRP A 1 76  ? -32.157 -7.119  -14.899 1.00 10.01 ? 82  TRP B NE1 1 
ATOM   660  C CE2 . TRP A 1 76  ? -31.436 -8.259  -15.177 1.00 10.18 ? 82  TRP B CE2 1 
ATOM   661  C CE3 . TRP A 1 76  ? -31.097 -9.768  -17.014 1.00 10.20 ? 82  TRP B CE3 1 
ATOM   662  C CZ2 . TRP A 1 76  ? -30.509 -8.921  -14.373 1.00 9.94  ? 82  TRP B CZ2 1 
ATOM   663  C CZ3 . TRP A 1 76  ? -30.216 -10.471 -16.207 1.00 10.61 ? 82  TRP B CZ3 1 
ATOM   664  C CH2 . TRP A 1 76  ? -29.919 -10.035 -14.908 1.00 10.63 ? 82  TRP B CH2 1 
ATOM   665  N N   . ASP A 1 77  ? -33.516 -10.391 -19.806 1.00 8.79  ? 83  ASP B N   1 
ATOM   666  C CA  . ASP A 1 77  ? -32.748 -11.651 -20.012 1.00 9.12  ? 83  ASP B CA  1 
ATOM   667  C C   . ASP A 1 77  ? -31.385 -11.264 -20.588 1.00 8.85  ? 83  ASP B C   1 
ATOM   668  O O   . ASP A 1 77  ? -31.337 -10.365 -21.458 1.00 8.91  ? 83  ASP B O   1 
ATOM   669  C CB  . ASP A 1 77  ? -33.409 -12.623 -20.983 1.00 10.75 ? 83  ASP B CB  1 
ATOM   670  C CG  . ASP A 1 77  ? -34.899 -12.851 -20.862 1.00 11.78 ? 83  ASP B CG  1 
ATOM   671  O OD1 . ASP A 1 77  ? -35.338 -12.880 -19.748 1.00 15.00 ? 83  ASP B OD1 1 
ATOM   672  O OD2 . ASP A 1 77  ? -35.578 -13.038 -21.906 1.00 13.81 ? 83  ASP B OD2 1 
ATOM   673  N N   . LEU A 1 78  ? -30.313 -11.966 -20.231 1.00 8.14  ? 84  LEU B N   1 
ATOM   674  C CA  . LEU A 1 78  ? -28.958 -11.710 -20.757 1.00 8.34  ? 84  LEU B CA  1 
ATOM   675  C C   . LEU A 1 78  ? -28.238 -13.032 -20.943 1.00 7.89  ? 84  LEU B C   1 
ATOM   676  O O   . LEU A 1 78  ? -28.373 -13.951 -20.129 1.00 8.46  ? 84  LEU B O   1 
ATOM   677  C CB  . LEU A 1 78  ? -28.143 -10.868 -19.788 1.00 8.82  ? 84  LEU B CB  1 
ATOM   678  C CG  . LEU A 1 78  ? -28.484 -9.386  -19.671 1.00 10.29 ? 84  LEU B CG  1 
ATOM   679  C CD1 . LEU A 1 78  ? -27.652 -8.764  -18.552 1.00 10.53 ? 84  LEU B CD1 1 
ATOM   680  C CD2 . LEU A 1 78  ? -28.297 -8.694  -20.995 1.00 10.71 ? 84  LEU B CD2 1 
ATOM   681  N N   . GLY A 1 79  ? -27.402 -13.085 -21.973 1.00 7.34  ? 85  GLY B N   1 
ATOM   682  C CA  . GLY A 1 79  ? -26.448 -14.200 -22.110 1.00 7.92  ? 85  GLY B CA  1 
ATOM   683  C C   . GLY A 1 79  ? -25.906 -14.265 -23.526 1.00 7.61  ? 85  GLY B C   1 
ATOM   684  O O   . GLY A 1 79  ? -25.516 -13.247 -24.111 1.00 8.10  ? 85  GLY B O   1 
ATOM   685  N N   A VAL A 1 80  ? -25.843 -15.495 -24.041 0.25 7.95  ? 86  VAL B N   1 
ATOM   686  N N   B VAL A 1 80  ? -25.912 -15.464 -24.082 0.25 8.43  ? 86  VAL B N   1 
ATOM   687  C CA  A VAL A 1 80  ? -25.458 -15.788 -25.453 0.25 7.76  ? 86  VAL B CA  1 
ATOM   688  C CA  B VAL A 1 80  ? -25.322 -15.729 -25.422 0.25 8.52  ? 86  VAL B CA  1 
ATOM   689  C C   A VAL A 1 80  ? -26.456 -16.757 -26.065 0.25 8.37  ? 86  VAL B C   1 
ATOM   690  C C   B VAL A 1 80  ? -26.221 -16.808 -26.052 0.25 9.05  ? 86  VAL B C   1 
ATOM   691  O O   A VAL A 1 80  ? -27.191 -17.479 -25.363 0.25 8.44  ? 86  VAL B O   1 
ATOM   692  O O   B VAL A 1 80  ? -26.789 -17.582 -25.286 0.25 9.33  ? 86  VAL B O   1 
ATOM   693  C CB  A VAL A 1 80  ? -24.054 -16.399 -25.608 0.25 7.95  ? 86  VAL B CB  1 
ATOM   694  C CB  B VAL A 1 80  ? -23.835 -16.114 -25.242 0.25 9.40  ? 86  VAL B CB  1 
ATOM   695  C CG1 A VAL A 1 80  ? -23.013 -15.367 -25.255 0.25 7.57  ? 86  VAL B CG1 1 
ATOM   696  C CG1 B VAL A 1 80  ? -23.675 -17.469 -24.569 0.25 9.41  ? 86  VAL B CG1 1 
ATOM   697  C CG2 A VAL A 1 80  ? -23.872 -17.669 -24.793 0.25 8.00  ? 86  VAL B CG2 1 
ATOM   698  C CG2 B VAL A 1 80  ? -23.049 -16.047 -26.537 0.25 10.09 ? 86  VAL B CG2 1 
ATOM   699  N N   . CYS A 1 81  ? -26.401 -16.824 -27.382 1.00 8.89  ? 87  CYS B N   1 
ATOM   700  C CA  . CYS A 1 81  ? -27.213 -17.808 -28.065 1.00 9.79  ? 87  CYS B CA  1 
ATOM   701  C C   . CYS A 1 81  ? -26.549 -18.222 -29.370 1.00 9.49  ? 87  CYS B C   1 
ATOM   702  O O   . CYS A 1 81  ? -25.679 -17.514 -29.908 1.00 9.51  ? 87  CYS B O   1 
ATOM   703  C CB  . CYS A 1 81  ? -28.618 -17.261 -28.336 1.00 10.86 ? 87  CYS B CB  1 
ATOM   704  S SG  . CYS A 1 81  ? -28.709 -15.857 -29.478 1.00 10.74 ? 87  CYS B SG  1 
ATOM   705  N N   A ARG A 1 82  ? -26.995 -19.342 -29.899 0.25 9.56  ? 88  ARG B N   1 
ATOM   706  N N   B ARG A 1 82  ? -26.960 -19.371 -29.887 0.25 9.39  ? 88  ARG B N   1 
ATOM   707  C CA  A ARG A 1 82  ? -26.567 -19.734 -31.261 0.25 10.08 ? 88  ARG B CA  1 
ATOM   708  C CA  B ARG A 1 82  ? -26.521 -19.839 -31.234 0.25 9.80  ? 88  ARG B CA  1 
ATOM   709  C C   A ARG A 1 82  ? -26.995 -18.686 -32.282 0.25 10.02 ? 88  ARG B C   1 
ATOM   710  C C   B ARG A 1 82  ? -27.040 -18.865 -32.312 0.25 10.01 ? 88  ARG B C   1 
ATOM   711  O O   A ARG A 1 82  ? -28.040 -18.049 -32.171 0.25 9.31  ? 88  ARG B O   1 
ATOM   712  O O   B ARG A 1 82  ? -28.225 -18.436 -32.230 0.25 9.81  ? 88  ARG B O   1 
ATOM   713  C CB  A ARG A 1 82  ? -27.209 -21.055 -31.668 0.25 11.11 ? 88  ARG B CB  1 
ATOM   714  C CB  B ARG A 1 82  ? -27.048 -21.264 -31.470 0.25 10.49 ? 88  ARG B CB  1 
ATOM   715  C CG  A ARG A 1 82  ? -26.811 -22.165 -30.720 0.25 11.78 ? 88  ARG B CG  1 
ATOM   716  C CG  B ARG A 1 82  ? -26.393 -22.007 -32.627 0.25 10.51 ? 88  ARG B CG  1 
ATOM   717  C CD  A ARG A 1 82  ? -27.282 -23.500 -31.219 0.25 13.30 ? 88  ARG B CD  1 
ATOM   718  C CD  B ARG A 1 82  ? -26.946 -23.398 -32.858 0.25 10.89 ? 88  ARG B CD  1 
ATOM   719  N NE  A ARG A 1 82  ? -26.946 -24.555 -30.272 0.25 12.95 ? 88  ARG B NE  1 
ATOM   720  N NE  B ARG A 1 82  ? -26.802 -24.201 -31.670 0.25 10.88 ? 88  ARG B NE  1 
ATOM   721  C CZ  A ARG A 1 82  ? -27.777 -25.515 -29.931 0.25 13.41 ? 88  ARG B CZ  1 
ATOM   722  C CZ  B ARG A 1 82  ? -27.815 -24.767 -31.017 0.25 10.87 ? 88  ARG B CZ  1 
ATOM   723  N NH1 A ARG A 1 82  ? -28.991 -25.538 -30.447 0.25 13.53 ? 88  ARG B NH1 1 
ATOM   724  N NH1 B ARG A 1 82  ? -29.035 -24.713 -31.501 0.25 12.26 ? 88  ARG B NH1 1 
ATOM   725  N NH2 A ARG A 1 82  ? -27.384 -26.445 -29.085 0.25 14.67 ? 88  ARG B NH2 1 
ATOM   726  N NH2 B ARG A 1 82  ? -27.586 -25.433 -29.900 0.25 10.75 ? 88  ARG B NH2 1 
ATOM   727  N N   . ASP A 1 83  ? -26.214 -18.568 -33.332 1.00 10.74 ? 89  ASP B N   1 
ATOM   728  C CA  . ASP A 1 83  ? -26.615 -17.674 -34.432 1.00 11.83 ? 89  ASP B CA  1 
ATOM   729  C C   . ASP A 1 83  ? -27.903 -18.192 -35.047 1.00 12.87 ? 89  ASP B C   1 
ATOM   730  O O   . ASP A 1 83  ? -28.651 -17.332 -35.593 1.00 15.74 ? 89  ASP B O   1 
ATOM   731  C CB  . ASP A 1 83  ? -25.503 -17.611 -35.481 1.00 13.14 ? 89  ASP B CB  1 
ATOM   732  C CG  . ASP A 1 83  ? -25.111 -18.881 -36.181 1.00 16.53 ? 89  ASP B CG  1 
ATOM   733  O OD1 . ASP A 1 83  ? -25.579 -19.975 -35.761 1.00 19.32 ? 89  ASP B OD1 1 
ATOM   734  O OD2 . ASP A 1 83  ? -24.304 -18.751 -37.147 1.00 20.18 ? 89  ASP B OD2 1 
ATOM   735  N N   . SER A 1 84  ? -28.201 -19.480 -35.016 1.00 11.54 ? 90  SER B N   1 
ATOM   736  C CA  . SER A 1 84  ? -29.372 -20.055 -35.712 1.00 13.90 ? 90  SER B CA  1 
ATOM   737  C C   . SER A 1 84  ? -30.626 -20.196 -34.836 1.00 12.67 ? 90  SER B C   1 
ATOM   738  O O   . SER A 1 84  ? -31.533 -20.897 -35.226 1.00 13.68 ? 90  SER B O   1 
ATOM   739  C CB  . SER A 1 84  ? -28.959 -21.371 -36.295 1.00 16.67 ? 90  SER B CB  1 
ATOM   740  O OG  . SER A 1 84  ? -28.532 -22.222 -35.328 1.00 17.40 ? 90  SER B OG  1 
ATOM   741  N N   . VAL A 1 85  ? -30.689 -19.552 -33.671 1.00 11.43 ? 91  VAL B N   1 
ATOM   742  C CA  . VAL A 1 85  ? -31.923 -19.640 -32.862 1.00 11.45 ? 91  VAL B CA  1 
ATOM   743  C C   . VAL A 1 85  ? -33.136 -19.135 -33.665 1.00 11.47 ? 91  VAL B C   1 
ATOM   744  O O   . VAL A 1 85  ? -33.037 -18.200 -34.482 1.00 12.19 ? 91  VAL B O   1 
ATOM   745  C CB  . VAL A 1 85  ? -31.835 -18.890 -31.515 1.00 10.98 ? 91  VAL B CB  1 
ATOM   746  C CG1 . VAL A 1 85  ? -30.828 -19.560 -30.594 1.00 10.79 ? 91  VAL B CG1 1 
ATOM   747  C CG2 . VAL A 1 85  ? -31.612 -17.411 -31.645 1.00 11.07 ? 91  VAL B CG2 1 
ATOM   748  N N   . GLN A 1 86  ? -34.265 -19.746 -33.355 1.00 12.61 ? 92  GLN B N   1 
ATOM   749  C CA  . GLN A 1 86  ? -35.617 -19.319 -33.819 1.00 14.31 ? 92  GLN B CA  1 
ATOM   750  C C   . GLN A 1 86  ? -35.824 -17.829 -33.521 1.00 13.23 ? 92  GLN B C   1 
ATOM   751  O O   . GLN A 1 86  ? -35.528 -17.377 -32.416 1.00 13.90 ? 92  GLN B O   1 
ATOM   752  C CB  . GLN A 1 86  ? -36.640 -20.176 -33.074 1.00 16.41 ? 92  GLN B CB  1 
ATOM   753  C CG  . GLN A 1 86  ? -38.116 -19.878 -33.367 1.00 19.94 ? 92  GLN B CG  1 
ATOM   754  C CD  . GLN A 1 86  ? -39.027 -20.726 -32.485 1.00 22.57 ? 92  GLN B CD  1 
ATOM   755  O OE1 . GLN A 1 86  ? -38.619 -21.735 -31.874 1.00 23.47 ? 92  GLN B OE1 1 
ATOM   756  N NE2 . GLN A 1 86  ? -40.304 -20.357 -32.376 1.00 24.82 ? 92  GLN B NE2 1 
ATOM   757  N N   . ARG A 1 87  ? -36.386 -17.091 -34.471 1.00 12.11 ? 93  ARG B N   1 
ATOM   758  C CA  . ARG A 1 87  ? -36.662 -15.632 -34.322 1.00 11.66 ? 93  ARG B CA  1 
ATOM   759  C C   . ARG A 1 87  ? -38.166 -15.406 -34.189 1.00 12.68 ? 93  ARG B C   1 
ATOM   760  O O   . ARG A 1 87  ? -38.552 -14.392 -33.580 1.00 13.19 ? 93  ARG B O   1 
ATOM   761  C CB  . ARG A 1 87  ? -36.138 -14.802 -35.468 1.00 12.86 ? 93  ARG B CB  1 
ATOM   762  C CG  . ARG A 1 87  ? -34.679 -15.052 -35.793 1.00 12.57 ? 93  ARG B CG  1 
ATOM   763  C CD  . ARG A 1 87  ? -33.740 -14.781 -34.590 1.00 12.81 ? 93  ARG B CD  1 
ATOM   764  N NE  . ARG A 1 87  ? -32.375 -15.262 -34.913 1.00 13.80 ? 93  ARG B NE  1 
ATOM   765  C CZ  . ARG A 1 87  ? -31.466 -14.558 -35.539 1.00 13.20 ? 93  ARG B CZ  1 
ATOM   766  N NH1 . ARG A 1 87  ? -31.727 -13.336 -35.933 1.00 15.57 ? 93  ARG B NH1 1 
ATOM   767  N NH2 . ARG A 1 87  ? -30.300 -15.093 -35.839 1.00 15.85 ? 93  ARG B NH2 1 
ATOM   768  N N   . LYS A 1 88  ? -39.009 -16.253 -34.775 1.00 13.06 ? 94  LYS B N   1 
ATOM   769  C CA  . LYS A 1 88  ? -40.465 -15.968 -34.921 1.00 13.63 ? 94  LYS B CA  1 
ATOM   770  C C   . LYS A 1 88  ? -41.287 -16.848 -34.018 1.00 14.99 ? 94  LYS B C   1 
ATOM   771  O O   . LYS A 1 88  ? -40.928 -18.054 -33.855 1.00 16.82 ? 94  LYS B O   1 
ATOM   772  C CB  . LYS A 1 88  ? -40.881 -16.172 -36.379 1.00 14.25 ? 94  LYS B CB  1 
ATOM   773  C CG  . LYS A 1 88  ? -40.076 -15.414 -37.403 1.00 15.32 ? 94  LYS B CG  1 
ATOM   774  C CD  . LYS A 1 88  ? -40.015 -13.895 -37.175 1.00 16.51 ? 94  LYS B CD  1 
ATOM   775  C CE  . LYS A 1 88  ? -39.212 -13.225 -38.257 1.00 16.96 ? 94  LYS B CE  1 
ATOM   776  N NZ  . LYS A 1 88  ? -39.136 -11.747 -38.094 1.00 16.65 ? 94  LYS B NZ  1 
ATOM   777  N N   . GLY A 1 89  ? -42.348 -16.329 -33.439 1.00 15.42 ? 95  GLY B N   1 
ATOM   778  C CA  . GLY A 1 89  ? -43.231 -17.133 -32.602 1.00 15.71 ? 95  GLY B CA  1 
ATOM   779  C C   . GLY A 1 89  ? -42.746 -17.275 -31.174 1.00 17.45 ? 95  GLY B C   1 
ATOM   780  O O   . GLY A 1 89  ? -41.764 -16.540 -30.746 1.00 16.87 ? 95  GLY B O   1 
ATOM   781  N N   . GLN A 1 90  ? -43.382 -18.180 -30.453 1.00 17.84 ? 96  GLN B N   1 
ATOM   782  C CA  . GLN A 1 90  ? -43.127 -18.421 -29.026 1.00 19.70 ? 96  GLN B CA  1 
ATOM   783  C C   . GLN A 1 90  ? -42.072 -19.508 -28.862 1.00 18.68 ? 96  GLN B C   1 
ATOM   784  O O   . GLN A 1 90  ? -41.966 -20.415 -29.710 1.00 19.31 ? 96  GLN B O   1 
ATOM   785  C CB  . GLN A 1 90  ? -44.427 -18.860 -28.336 1.00 22.78 ? 96  GLN B CB  1 
ATOM   786  C CG  . GLN A 1 90  ? -45.466 -17.762 -28.378 1.00 30.71 ? 96  GLN B CG  1 
ATOM   787  C CD  . GLN A 1 90  ? -46.819 -18.261 -27.962 1.00 39.35 ? 96  GLN B CD  1 
ATOM   788  O OE1 . GLN A 1 90  ? -47.145 -18.269 -26.775 1.00 50.63 ? 96  GLN B OE1 1 
ATOM   789  N NE2 . GLN A 1 90  ? -47.593 -18.707 -28.944 1.00 43.82 ? 96  GLN B NE2 1 
ATOM   790  N N   . PHE A 1 91  ? -41.214 -19.324 -27.866 1.00 15.98 ? 97  PHE B N   1 
ATOM   791  C CA  . PHE A 1 91  ? -40.175 -20.309 -27.501 1.00 15.63 ? 97  PHE B CA  1 
ATOM   792  C C   . PHE A 1 91  ? -39.672 -20.029 -26.095 1.00 15.32 ? 97  PHE B C   1 
ATOM   793  O O   . PHE A 1 91  ? -39.816 -18.922 -25.576 1.00 16.63 ? 97  PHE B O   1 
ATOM   794  C CB  . PHE A 1 91  ? -38.981 -20.282 -28.458 1.00 15.29 ? 97  PHE B CB  1 
ATOM   795  C CG  . PHE A 1 91  ? -38.372 -18.910 -28.628 1.00 14.58 ? 97  PHE B CG  1 
ATOM   796  C CD1 . PHE A 1 91  ? -37.359 -18.513 -27.768 1.00 14.98 ? 97  PHE B CD1 1 
ATOM   797  C CD2 . PHE A 1 91  ? -38.722 -18.041 -29.647 1.00 14.92 ? 97  PHE B CD2 1 
ATOM   798  C CE1 . PHE A 1 91  ? -36.733 -17.282 -27.907 1.00 14.63 ? 97  PHE B CE1 1 
ATOM   799  C CE2 . PHE A 1 91  ? -38.108 -16.804 -29.786 1.00 13.85 ? 97  PHE B CE2 1 
ATOM   800  C CZ  . PHE A 1 91  ? -37.111 -16.435 -28.913 1.00 14.51 ? 97  PHE B CZ  1 
ATOM   801  N N   A SER A 1 92  ? -39.121 -21.052 -25.446 0.25 16.05 ? 98  SER B N   1 
ATOM   802  N N   B SER A 1 92  ? -39.101 -21.076 -25.499 0.25 15.17 ? 98  SER B N   1 
ATOM   803  C CA  A SER A 1 92  ? -38.495 -20.904 -24.110 0.25 16.06 ? 98  SER B CA  1 
ATOM   804  C CA  B SER A 1 92  ? -38.440 -21.049 -24.172 0.25 14.82 ? 98  SER B CA  1 
ATOM   805  C C   A SER A 1 92  ? -36.979 -20.779 -24.274 0.25 14.52 ? 98  SER B C   1 
ATOM   806  C C   B SER A 1 92  ? -36.956 -20.713 -24.355 0.25 13.73 ? 98  SER B C   1 
ATOM   807  O O   A SER A 1 92  ? -36.392 -21.408 -25.173 0.25 13.95 ? 98  SER B O   1 
ATOM   808  O O   B SER A 1 92  ? -36.362 -21.092 -25.405 0.25 13.25 ? 98  SER B O   1 
ATOM   809  C CB  A SER A 1 92  ? -38.827 -22.036 -23.199 0.25 18.45 ? 98  SER B CB  1 
ATOM   810  C CB  B SER A 1 92  ? -38.618 -22.361 -23.455 0.25 15.58 ? 98  SER B CB  1 
ATOM   811  O OG  A SER A 1 92  ? -38.422 -23.251 -23.791 0.25 21.43 ? 98  SER B OG  1 
ATOM   812  O OG  B SER A 1 92  ? -39.985 -22.546 -23.095 0.25 17.56 ? 98  SER B OG  1 
ATOM   813  N N   . LEU A 1 93  ? -36.381 -20.009 -23.378 1.00 13.17 ? 99  LEU B N   1 
ATOM   814  C CA  . LEU A 1 93  ? -34.927 -19.840 -23.309 1.00 13.40 ? 99  LEU B CA  1 
ATOM   815  C C   . LEU A 1 93  ? -34.330 -21.033 -22.606 1.00 13.05 ? 99  LEU B C   1 
ATOM   816  O O   . LEU A 1 93  ? -34.440 -21.196 -21.394 1.00 15.37 ? 99  LEU B O   1 
ATOM   817  C CB  . LEU A 1 93  ? -34.566 -18.566 -22.561 1.00 13.74 ? 99  LEU B CB  1 
ATOM   818  C CG  . LEU A 1 93  ? -35.063 -17.276 -23.201 1.00 14.50 ? 99  LEU B CG  1 
ATOM   819  C CD1 . LEU A 1 93  ? -34.712 -16.065 -22.324 1.00 15.80 ? 99  LEU B CD1 1 
ATOM   820  C CD2 . LEU A 1 93  ? -34.525 -17.084 -24.610 1.00 16.28 ? 99  LEU B CD2 1 
ATOM   821  N N   . SER A 1 94  ? -33.651 -21.903 -23.362 1.00 12.18 ? 100 SER B N   1 
ATOM   822  C CA  . SER A 1 94  ? -33.067 -23.147 -22.821 1.00 12.29 ? 100 SER B CA  1 
ATOM   823  C C   . SER A 1 94  ? -31.851 -23.496 -23.659 1.00 11.09 ? 100 SER B C   1 
ATOM   824  O O   . SER A 1 94  ? -31.836 -23.180 -24.856 1.00 10.83 ? 100 SER B O   1 
ATOM   825  C CB  . SER A 1 94  ? -34.011 -24.336 -22.824 1.00 13.65 ? 100 SER B CB  1 
ATOM   826  O OG  . SER A 1 94  ? -34.374 -24.673 -24.148 1.00 16.98 ? 100 SER B OG  1 
ATOM   827  N N   . PRO A 1 95  ? -30.920 -24.278 -23.136 1.00 10.75 ? 101 PRO B N   1 
ATOM   828  C CA  . PRO A 1 95  ? -29.809 -24.775 -23.956 1.00 12.18 ? 101 PRO B CA  1 
ATOM   829  C C   . PRO A 1 95  ? -30.302 -25.660 -25.105 1.00 12.21 ? 101 PRO B C   1 
ATOM   830  O O   . PRO A 1 95  ? -29.738 -25.535 -26.227 1.00 12.04 ? 101 PRO B O   1 
ATOM   831  C CB  . PRO A 1 95  ? -28.907 -25.552 -22.974 1.00 12.44 ? 101 PRO B CB  1 
ATOM   832  C CG  . PRO A 1 95  ? -29.221 -24.861 -21.634 1.00 12.98 ? 101 PRO B CG  1 
ATOM   833  C CD  . PRO A 1 95  ? -30.696 -24.524 -21.712 1.00 12.73 ? 101 PRO B CD  1 
ATOM   834  N N   . GLU A 1 96  ? -31.377 -26.403 -24.910 1.00 13.13 ? 102 GLU B N   1 
ATOM   835  C CA  . GLU A 1 96  ? -31.929 -27.232 -26.004 1.00 14.93 ? 102 GLU B CA  1 
ATOM   836  C C   . GLU A 1 96  ? -32.354 -26.345 -27.181 1.00 14.09 ? 102 GLU B C   1 
ATOM   837  O O   . GLU A 1 96  ? -32.326 -26.792 -28.352 1.00 15.75 ? 102 GLU B O   1 
ATOM   838  C CB  . GLU A 1 96  ? -33.079 -28.067 -25.465 1.00 19.16 ? 102 GLU B CB  1 
ATOM   839  C CG  . GLU A 1 96  ? -32.701 -28.934 -24.279 1.00 28.00 ? 102 GLU B CG  1 
ATOM   840  C CD  . GLU A 1 96  ? -33.099 -28.413 -22.904 1.00 33.67 ? 102 GLU B CD  1 
ATOM   841  O OE1 . GLU A 1 96  ? -32.367 -27.525 -22.318 1.00 22.20 ? 102 GLU B OE1 1 
ATOM   842  O OE2 . GLU A 1 96  ? -34.138 -28.938 -22.390 1.00 41.06 ? 102 GLU B OE2 1 
ATOM   843  N N   . ASN A 1 97  ? -32.822 -25.118 -26.937 1.00 12.56 ? 103 ASN B N   1 
ATOM   844  C CA  . ASN A 1 97  ? -33.228 -24.171 -27.992 1.00 12.58 ? 103 ASN B CA  1 
ATOM   845  C C   . ASN A 1 97  ? -32.072 -23.265 -28.415 1.00 11.50 ? 103 ASN B C   1 
ATOM   846  O O   . ASN A 1 97  ? -32.272 -22.415 -29.268 1.00 12.34 ? 103 ASN B O   1 
ATOM   847  C CB  . ASN A 1 97  ? -34.459 -23.357 -27.555 1.00 13.72 ? 103 ASN B CB  1 
ATOM   848  C CG  . ASN A 1 97  ? -35.740 -24.143 -27.543 1.00 16.64 ? 103 ASN B CG  1 
ATOM   849  O OD1 . ASN A 1 97  ? -35.842 -25.217 -28.168 1.00 18.48 ? 103 ASN B OD1 1 
ATOM   850  N ND2 . ASN A 1 97  ? -36.701 -23.676 -26.757 1.00 17.93 ? 103 ASN B ND2 1 
ATOM   851  N N   . GLY A 1 98  ? -30.872 -23.435 -27.880 1.00 9.87  ? 104 GLY B N   1 
ATOM   852  C CA  . GLY A 1 98  ? -29.708 -22.660 -28.301 1.00 9.65  ? 104 GLY B CA  1 
ATOM   853  C C   . GLY A 1 98  ? -29.446 -21.380 -27.514 1.00 8.78  ? 104 GLY B C   1 
ATOM   854  O O   . GLY A 1 98  ? -28.796 -20.504 -28.010 1.00 9.86  ? 104 GLY B O   1 
ATOM   855  N N   . PHE A 1 99  ? -29.906 -21.337 -26.243 1.00 9.28  ? 105 PHE B N   1 
ATOM   856  C CA  . PHE A 1 99  ? -29.697 -20.151 -25.372 1.00 8.89  ? 105 PHE B CA  1 
ATOM   857  C C   . PHE A 1 99  ? -29.013 -20.516 -24.062 1.00 8.50  ? 105 PHE B C   1 
ATOM   858  O O   . PHE A 1 99  ? -29.456 -21.508 -23.422 1.00 9.98  ? 105 PHE B O   1 
ATOM   859  C CB  . PHE A 1 99  ? -31.036 -19.485 -25.025 1.00 9.71  ? 105 PHE B CB  1 
ATOM   860  C CG  . PHE A 1 99  ? -31.825 -18.979 -26.209 1.00 9.73  ? 105 PHE B CG  1 
ATOM   861  C CD1 . PHE A 1 99  ? -32.730 -19.791 -26.861 1.00 10.05 ? 105 PHE B CD1 1 
ATOM   862  C CD2 . PHE A 1 99  ? -31.710 -17.685 -26.654 1.00 9.63  ? 105 PHE B CD2 1 
ATOM   863  C CE1 . PHE A 1 99  ? -33.492 -19.335 -27.933 1.00 10.89 ? 105 PHE B CE1 1 
ATOM   864  C CE2 . PHE A 1 99  ? -32.442 -17.243 -27.738 1.00 10.29 ? 105 PHE B CE2 1 
ATOM   865  C CZ  . PHE A 1 99  ? -33.333 -18.063 -28.356 1.00 9.99  ? 105 PHE B CZ  1 
ATOM   866  N N   . TRP A 1 100 ? -28.071 -19.686 -23.635 1.00 8.05  ? 106 TRP B N   1 
ATOM   867  C CA  . TRP A 1 100 ? -27.385 -19.777 -22.322 1.00 8.34  ? 106 TRP B CA  1 
ATOM   868  C C   . TRP A 1 100 ? -27.537 -18.425 -21.637 1.00 7.59  ? 106 TRP B C   1 
ATOM   869  O O   . TRP A 1 100 ? -26.811 -17.490 -21.954 1.00 8.54  ? 106 TRP B O   1 
ATOM   870  C CB  . TRP A 1 100 ? -25.923 -20.244 -22.458 1.00 8.34  ? 106 TRP B CB  1 
ATOM   871  C CG  . TRP A 1 100 ? -25.828 -21.611 -23.080 1.00 8.47  ? 106 TRP B CG  1 
ATOM   872  C CD1 . TRP A 1 100 ? -25.743 -22.808 -22.440 1.00 9.43  ? 106 TRP B CD1 1 
ATOM   873  C CD2 . TRP A 1 100 ? -25.846 -21.925 -24.500 1.00 9.11  ? 106 TRP B CD2 1 
ATOM   874  N NE1 . TRP A 1 100 ? -25.775 -23.845 -23.366 1.00 9.89  ? 106 TRP B NE1 1 
ATOM   875  C CE2 . TRP A 1 100 ? -25.841 -23.322 -24.621 1.00 9.90  ? 106 TRP B CE2 1 
ATOM   876  C CE3 . TRP A 1 100 ? -25.928 -21.155 -25.664 1.00 9.53  ? 106 TRP B CE3 1 
ATOM   877  C CZ2 . TRP A 1 100 ? -25.909 -23.951 -25.883 1.00 10.96 ? 106 TRP B CZ2 1 
ATOM   878  C CZ3 . TRP A 1 100 ? -25.990 -21.793 -26.895 1.00 10.99 ? 106 TRP B CZ3 1 
ATOM   879  C CH2 . TRP A 1 100 ? -25.994 -23.159 -26.994 1.00 11.40 ? 106 TRP B CH2 1 
ATOM   880  N N   . THR A 1 101 ? -28.538 -18.336 -20.760 1.00 8.15  ? 107 THR B N   1 
ATOM   881  C CA  . THR A 1 101 ? -29.057 -17.033 -20.271 1.00 8.35  ? 107 THR B CA  1 
ATOM   882  C C   . THR A 1 101 ? -29.392 -17.105 -18.776 1.00 7.93  ? 107 THR B C   1 
ATOM   883  O O   . THR A 1 101 ? -29.667 -18.174 -18.235 1.00 8.37  ? 107 THR B O   1 
ATOM   884  C CB  . THR A 1 101 ? -30.296 -16.587 -21.039 1.00 8.98  ? 107 THR B CB  1 
ATOM   885  O OG1 . THR A 1 101 ? -31.371 -17.491 -20.828 1.00 9.93  ? 107 THR B OG1 1 
ATOM   886  C CG2 . THR A 1 101 ? -30.007 -16.376 -22.516 1.00 9.38  ? 107 THR B CG2 1 
ATOM   887  N N   . ILE A 1 102 ? -29.431 -15.912 -18.190 1.00 8.43  ? 108 ILE B N   1 
ATOM   888  C CA  . ILE A 1 102 ? -30.070 -15.692 -16.840 1.00 8.34  ? 108 ILE B CA  1 
ATOM   889  C C   . ILE A 1 102 ? -31.076 -14.562 -17.023 1.00 8.45  ? 108 ILE B C   1 
ATOM   890  O O   . ILE A 1 102 ? -31.012 -13.784 -18.026 1.00 8.68  ? 108 ILE B O   1 
ATOM   891  C CB  . ILE A 1 102 ? -29.049 -15.379 -15.716 1.00 8.80  ? 108 ILE B CB  1 
ATOM   892  C CG1 . ILE A 1 102 ? -28.356 -14.030 -15.906 1.00 9.64  ? 108 ILE B CG1 1 
ATOM   893  C CG2 . ILE A 1 102 ? -28.044 -16.525 -15.610 1.00 9.23  ? 108 ILE B CG2 1 
ATOM   894  C CD1 . ILE A 1 102 ? -27.534 -13.561 -14.739 1.00 10.31 ? 108 ILE B CD1 1 
ATOM   895  N N   . TRP A 1 103 ? -31.945 -14.410 -16.051 1.00 8.47  ? 109 TRP B N   1 
ATOM   896  C CA  . TRP A 1 103 ? -32.962 -13.345 -16.104 1.00 9.28  ? 109 TRP B CA  1 
ATOM   897  C C   . TRP A 1 103 ? -33.353 -12.889 -14.722 1.00 9.28  ? 109 TRP B C   1 
ATOM   898  O O   . TRP A 1 103 ? -33.172 -13.572 -13.700 1.00 9.75  ? 109 TRP B O   1 
ATOM   899  C CB  . TRP A 1 103 ? -34.163 -13.754 -16.902 1.00 11.51 ? 109 TRP B CB  1 
ATOM   900  C CG  . TRP A 1 103 ? -34.937 -14.885 -16.376 1.00 12.62 ? 109 TRP B CG  1 
ATOM   901  C CD1 . TRP A 1 103 ? -35.793 -14.901 -15.313 1.00 12.85 ? 109 TRP B CD1 1 
ATOM   902  C CD2 . TRP A 1 103 ? -35.048 -16.142 -17.019 1.00 13.06 ? 109 TRP B CD2 1 
ATOM   903  N NE1 . TRP A 1 103 ? -36.442 -16.096 -15.275 1.00 15.89 ? 109 TRP B NE1 1 
ATOM   904  C CE2 . TRP A 1 103 ? -36.019 -16.881 -16.311 1.00 13.52 ? 109 TRP B CE2 1 
ATOM   905  C CE3 . TRP A 1 103 ? -34.473 -16.684 -18.157 1.00 15.09 ? 109 TRP B CE3 1 
ATOM   906  C CZ2 . TRP A 1 103 ? -36.366 -18.189 -16.661 1.00 17.40 ? 109 TRP B CZ2 1 
ATOM   907  C CZ3 . TRP A 1 103 ? -34.841 -17.952 -18.523 1.00 16.56 ? 109 TRP B CZ3 1 
ATOM   908  C CH2 . TRP A 1 103 ? -35.771 -18.678 -17.797 1.00 15.73 ? 109 TRP B CH2 1 
ATOM   909  N N   . LEU A 1 104 ? -33.951 -11.690 -14.707 1.00 9.06  ? 110 LEU B N   1 
ATOM   910  C CA  . LEU A 1 104 ? -34.734 -11.128 -13.593 1.00 9.41  ? 110 LEU B CA  1 
ATOM   911  C C   . LEU A 1 104 ? -36.183 -11.111 -14.024 1.00 9.05  ? 110 LEU B C   1 
ATOM   912  O O   . LEU A 1 104 ? -36.501 -10.620 -15.104 1.00 9.47  ? 110 LEU B O   1 
ATOM   913  C CB  . LEU A 1 104 ? -34.270 -9.723  -13.292 1.00 9.80  ? 110 LEU B CB  1 
ATOM   914  C CG  . LEU A 1 104 ? -35.110 -8.952  -12.270 1.00 10.18 ? 110 LEU B CG  1 
ATOM   915  C CD1 . LEU A 1 104 ? -35.132 -9.629  -10.899 1.00 10.89 ? 110 LEU B CD1 1 
ATOM   916  C CD2 . LEU A 1 104 ? -34.635 -7.527  -12.167 1.00 11.69 ? 110 LEU B CD2 1 
ATOM   917  N N   . TRP A 1 105 ? -37.082 -11.552 -13.135 1.00 10.32 ? 111 TRP B N   1 
ATOM   918  C CA  . TRP A 1 105 ? -38.528 -11.563 -13.388 1.00 11.04 ? 111 TRP B CA  1 
ATOM   919  C C   . TRP A 1 105 ? -39.234 -11.606 -12.045 1.00 12.85 ? 111 TRP B C   1 
ATOM   920  O O   . TRP A 1 105 ? -38.944 -12.490 -11.241 1.00 12.98 ? 111 TRP B O   1 
ATOM   921  C CB  . TRP A 1 105 ? -38.902 -12.785 -14.202 1.00 14.25 ? 111 TRP B CB  1 
ATOM   922  C CG  . TRP A 1 105 ? -40.349 -13.038 -14.320 1.00 17.28 ? 111 TRP B CG  1 
ATOM   923  C CD1 . TRP A 1 105 ? -41.123 -14.048 -13.801 1.00 18.85 ? 111 TRP B CD1 1 
ATOM   924  C CD2 . TRP A 1 105 ? -41.195 -12.230 -15.132 1.00 17.46 ? 111 TRP B CD2 1 
ATOM   925  N NE1 . TRP A 1 105 ? -42.404 -13.880 -14.218 1.00 19.78 ? 111 TRP B NE1 1 
ATOM   926  C CE2 . TRP A 1 105 ? -42.486 -12.777 -15.029 1.00 16.62 ? 111 TRP B CE2 1 
ATOM   927  C CE3 . TRP A 1 105 ? -41.000 -11.100 -15.932 1.00 17.09 ? 111 TRP B CE3 1 
ATOM   928  C CZ2 . TRP A 1 105 ? -43.582 -12.250 -15.703 1.00 21.04 ? 111 TRP B CZ2 1 
ATOM   929  C CZ3 . TRP A 1 105 ? -42.095 -10.550 -16.566 1.00 22.09 ? 111 TRP B CZ3 1 
ATOM   930  C CH2 . TRP A 1 105 ? -43.370 -11.103 -16.443 1.00 21.57 ? 111 TRP B CH2 1 
ATOM   931  N N   . GLN A 1 106 ? -40.127 -10.639 -11.777 1.00 11.64 ? 112 GLN B N   1 
ATOM   932  C CA  . GLN A 1 106 ? -40.978 -10.671 -10.547 1.00 11.95 ? 112 GLN B CA  1 
ATOM   933  C C   . GLN A 1 106 ? -40.085 -10.854 -9.355  1.00 13.08 ? 112 GLN B C   1 
ATOM   934  O O   . GLN A 1 106 ? -40.451 -11.704 -8.455  1.00 15.01 ? 112 GLN B O   1 
ATOM   935  C CB  . GLN A 1 106 ? -42.071 -11.716 -10.689 1.00 13.46 ? 112 GLN B CB  1 
ATOM   936  C CG  . GLN A 1 106 ? -42.988 -11.393 -11.848 1.00 15.05 ? 112 GLN B CG  1 
ATOM   937  C CD  . GLN A 1 106 ? -44.258 -12.199 -11.919 1.00 16.62 ? 112 GLN B CD  1 
ATOM   938  O OE1 . GLN A 1 106 ? -45.194 -11.851 -12.658 1.00 20.41 ? 112 GLN B OE1 1 
ATOM   939  N NE2 . GLN A 1 106 ? -44.308 -13.278 -11.159 1.00 16.31 ? 112 GLN B NE2 1 
ATOM   940  N N   . ASP A 1 107 ? -39.071 -10.043 -9.228  1.00 14.00 ? 113 ASP B N   1 
ATOM   941  C CA  . ASP A 1 107 ? -38.277 -9.927  -8.005  1.00 17.92 ? 113 ASP B CA  1 
ATOM   942  C C   . ASP A 1 107 ? -37.476 -11.210 -7.709  1.00 18.46 ? 113 ASP B C   1 
ATOM   943  O O   . ASP A 1 107 ? -36.920 -11.290 -6.575  1.00 25.53 ? 113 ASP B O   1 
ATOM   944  C CB  . ASP A 1 107 ? -39.251 -9.621  -6.857  1.00 20.82 ? 113 ASP B CB  1 
ATOM   945  C CG  . ASP A 1 107 ? -38.615 -9.059  -5.630  1.00 27.72 ? 113 ASP B CG  1 
ATOM   946  O OD1 . ASP A 1 107 ? -37.677 -8.232  -5.750  1.00 31.53 ? 113 ASP B OD1 1 
ATOM   947  O OD2 . ASP A 1 107 ? -39.118 -9.431  -4.535  1.00 34.31 ? 113 ASP B OD2 1 
ATOM   948  N N   . SER A 1 108 ? -37.305 -12.119 -8.668  1.00 14.31 ? 114 SER B N   1 
ATOM   949  C CA  . SER A 1 108 ? -36.402 -13.297 -8.519  1.00 15.92 ? 114 SER B CA  1 
ATOM   950  C C   . SER A 1 108 ? -35.485 -13.391 -9.735  1.00 13.54 ? 114 SER B C   1 
ATOM   951  O O   . SER A 1 108 ? -35.874 -13.050 -10.901 1.00 13.68 ? 114 SER B O   1 
ATOM   952  C CB  . SER A 1 108 ? -37.196 -14.529 -8.195  1.00 19.30 ? 114 SER B CB  1 
ATOM   953  O OG  . SER A 1 108 ? -37.856 -15.043 -9.315  1.00 28.09 ? 114 SER B OG  1 
ATOM   954  N N   . TYR A 1 109 ? -34.301 -13.912 -9.504  1.00 11.54 ? 115 TYR B N   1 
ATOM   955  C CA  . TYR A 1 109 ? -33.295 -14.212 -10.551 1.00 11.02 ? 115 TYR B CA  1 
ATOM   956  C C   . TYR A 1 109 ? -33.257 -15.697 -10.816 1.00 10.38 ? 115 TYR B C   1 
ATOM   957  O O   . TYR A 1 109 ? -33.252 -16.501 -9.868  1.00 11.24 ? 115 TYR B O   1 
ATOM   958  C CB  . TYR A 1 109 ? -31.939 -13.691 -10.128 1.00 11.07 ? 115 TYR B CB  1 
ATOM   959  C CG  . TYR A 1 109 ? -31.870 -12.187 -9.881  1.00 11.63 ? 115 TYR B CG  1 
ATOM   960  C CD1 . TYR A 1 109 ? -32.123 -11.637 -8.625  1.00 12.08 ? 115 TYR B CD1 1 
ATOM   961  C CD2 . TYR A 1 109 ? -31.500 -11.323 -10.892 1.00 11.16 ? 115 TYR B CD2 1 
ATOM   962  C CE1 . TYR A 1 109 ? -32.012 -10.265 -8.401  1.00 12.57 ? 115 TYR B CE1 1 
ATOM   963  C CE2 . TYR A 1 109 ? -31.424 -9.957  -10.697 1.00 11.37 ? 115 TYR B CE2 1 
ATOM   964  C CZ  . TYR A 1 109 ? -31.662 -9.437  -9.439  1.00 11.56 ? 115 TYR B CZ  1 
ATOM   965  O OH  . TYR A 1 109 ? -31.639 -8.087  -9.189  1.00 12.90 ? 115 TYR B OH  1 
ATOM   966  N N   A GLU A 1 110 ? -33.214 -16.090 -12.093 0.25 10.05 ? 116 GLU B N   1 
ATOM   967  N N   B GLU A 1 110 ? -33.248 -16.078 -12.098 0.25 10.34 ? 116 GLU B N   1 
ATOM   968  C CA  A GLU A 1 110 ? -33.214 -17.522 -12.486 0.25 10.25 ? 116 GLU B CA  1 
ATOM   969  C CA  B GLU A 1 110 ? -33.238 -17.496 -12.539 0.25 10.69 ? 116 GLU B CA  1 
ATOM   970  C C   A GLU A 1 110 ? -32.307 -17.751 -13.695 0.25 9.11  ? 116 GLU B C   1 
ATOM   971  C C   B GLU A 1 110 ? -32.174 -17.687 -13.626 0.25 9.16  ? 116 GLU B C   1 
ATOM   972  O O   A GLU A 1 110 ? -32.241 -16.903 -14.584 0.25 8.85  ? 116 GLU B O   1 
ATOM   973  O O   B GLU A 1 110 ? -31.806 -16.712 -14.328 0.25 8.33  ? 116 GLU B O   1 
ATOM   974  C CB  A GLU A 1 110 ? -34.624 -18.007 -12.793 0.25 11.33 ? 116 GLU B CB  1 
ATOM   975  C CB  B GLU A 1 110 ? -34.613 -17.924 -13.046 0.25 12.43 ? 116 GLU B CB  1 
ATOM   976  C CG  A GLU A 1 110 ? -35.595 -17.879 -11.622 0.25 12.86 ? 116 GLU B CG  1 
ATOM   977  C CG  B GLU A 1 110 ? -35.739 -17.768 -12.024 0.25 14.95 ? 116 GLU B CG  1 
ATOM   978  C CD  A GLU A 1 110 ? -37.012 -18.272 -11.997 0.25 14.04 ? 116 GLU B CD  1 
ATOM   979  C CD  B GLU A 1 110 ? -35.930 -18.942 -11.073 0.25 16.46 ? 116 GLU B CD  1 
ATOM   980  O OE1 A GLU A 1 110 ? -37.433 -17.966 -13.124 0.25 16.33 ? 116 GLU B OE1 1 
ATOM   981  O OE1 B GLU A 1 110 ? -35.428 -20.043 -11.375 0.25 21.07 ? 116 GLU B OE1 1 
ATOM   982  O OE2 A GLU A 1 110 ? -37.690 -18.910 -11.172 0.25 14.61 ? 116 GLU B OE2 1 
ATOM   983  O OE2 B GLU A 1 110 ? -36.634 -18.765 -10.065 0.25 21.37 ? 116 GLU B OE2 1 
ATOM   984  N N   . ALA A 1 111 ? -31.672 -18.924 -13.743 1.00 9.24  ? 117 ALA B N   1 
ATOM   985  C CA  . ALA A 1 111 ? -30.920 -19.353 -14.928 1.00 9.35  ? 117 ALA B CA  1 
ATOM   986  C C   . ALA A 1 111 ? -31.862 -20.073 -15.870 1.00 9.80  ? 117 ALA B C   1 
ATOM   987  O O   . ALA A 1 111 ? -32.711 -20.882 -15.441 1.00 10.03 ? 117 ALA B O   1 
ATOM   988  C CB  . ALA A 1 111 ? -29.756 -20.249 -14.562 1.00 9.52  ? 117 ALA B CB  1 
ATOM   989  N N   . GLY A 1 112 ? -31.692 -19.834 -17.175 1.00 9.67  ? 118 GLY B N   1 
ATOM   990  C CA  . GLY A 1 112 ? -32.518 -20.401 -18.246 1.00 10.92 ? 118 GLY B CA  1 
ATOM   991  C C   . GLY A 1 112 ? -32.145 -21.825 -18.568 1.00 11.35 ? 118 GLY B C   1 
ATOM   992  O O   . GLY A 1 112 ? -31.817 -22.179 -19.684 1.00 13.75 ? 118 GLY B O   1 
ATOM   993  N N   . THR A 1 113 ? -32.102 -22.720 -17.600 1.00 13.73 ? 119 THR B N   1 
ATOM   994  C CA  . THR A 1 113 ? -32.137 -24.176 -17.803 1.00 14.77 ? 119 THR B CA  1 
ATOM   995  C C   . THR A 1 113 ? -33.569 -24.641 -18.046 1.00 14.77 ? 119 THR B C   1 
ATOM   996  O O   . THR A 1 113 ? -34.478 -23.870 -17.855 1.00 17.04 ? 119 THR B O   1 
ATOM   997  C CB  . THR A 1 113 ? -31.527 -24.817 -16.575 1.00 12.66 ? 119 THR B CB  1 
ATOM   998  O OG1 . THR A 1 113 ? -32.206 -24.354 -15.385 1.00 12.85 ? 119 THR B OG1 1 
ATOM   999  C CG2 . THR A 1 113 ? -30.082 -24.502 -16.397 1.00 13.71 ? 119 THR B CG2 1 
ATOM   1000 N N   . SER A 1 114 ? -33.758 -25.920 -18.378 1.00 18.33 ? 120 SER B N   1 
ATOM   1001 C CA  . SER A 1 114 ? -35.111 -26.485 -18.543 1.00 21.71 ? 120 SER B CA  1 
ATOM   1002 C C   . SER A 1 114 ? -35.263 -27.688 -17.608 1.00 21.91 ? 120 SER B C   1 
ATOM   1003 O O   . SER A 1 114 ? -34.594 -28.708 -17.785 1.00 24.33 ? 120 SER B O   1 
ATOM   1004 C CB  . SER A 1 114 ? -35.393 -26.822 -20.004 1.00 25.82 ? 120 SER B CB  1 
ATOM   1005 O OG  . SER A 1 114 ? -36.726 -27.321 -20.133 1.00 30.09 ? 120 SER B OG  1 
ATOM   1006 N N   . PRO A 1 115 ? -36.013 -27.554 -16.496 1.00 20.16 ? 121 PRO B N   1 
ATOM   1007 C CA  . PRO A 1 115 ? -36.687 -26.318 -16.109 1.00 20.23 ? 121 PRO B CA  1 
ATOM   1008 C C   . PRO A 1 115 ? -35.711 -25.299 -15.478 1.00 16.77 ? 121 PRO B C   1 
ATOM   1009 O O   . PRO A 1 115 ? -34.574 -25.626 -15.204 1.00 15.33 ? 121 PRO B O   1 
ATOM   1010 C CB  . PRO A 1 115 ? -37.731 -26.777 -15.093 1.00 23.50 ? 121 PRO B CB  1 
ATOM   1011 C CG  . PRO A 1 115 ? -37.076 -27.955 -14.429 1.00 22.56 ? 121 PRO B CG  1 
ATOM   1012 C CD  . PRO A 1 115 ? -36.204 -28.618 -15.487 1.00 22.41 ? 121 PRO B CD  1 
ATOM   1013 N N   . GLN A 1 116 ? -36.168 -24.076 -15.282 1.00 15.78 ? 122 GLN B N   1 
ATOM   1014 C CA  . GLN A 1 116 ? -35.318 -22.958 -14.805 1.00 14.56 ? 122 GLN B CA  1 
ATOM   1015 C C   . GLN A 1 116 ? -34.786 -23.228 -13.388 1.00 12.59 ? 122 GLN B C   1 
ATOM   1016 O O   . GLN A 1 116 ? -35.422 -23.969 -12.605 1.00 14.08 ? 122 GLN B O   1 
ATOM   1017 C CB  . GLN A 1 116 ? -36.028 -21.602 -14.901 1.00 18.58 ? 122 GLN B CB  1 
ATOM   1018 C CG  . GLN A 1 116 ? -37.182 -21.387 -13.943 1.00 25.29 ? 122 GLN B CG  1 
ATOM   1019 C CD  . GLN A 1 116 ? -38.533 -21.803 -14.480 1.00 34.44 ? 122 GLN B CD  1 
ATOM   1020 O OE1 . GLN A 1 116 ? -38.663 -22.680 -15.339 1.00 40.66 ? 122 GLN B OE1 1 
ATOM   1021 N NE2 . GLN A 1 116 ? -39.572 -21.182 -13.939 1.00 42.14 ? 122 GLN B NE2 1 
ATOM   1022 N N   . THR A 1 117 ? -33.656 -22.640 -13.089 1.00 10.94 ? 123 THR B N   1 
ATOM   1023 C CA  . THR A 1 117 ? -32.932 -22.821 -11.820 1.00 10.76 ? 123 THR B CA  1 
ATOM   1024 C C   . THR A 1 117 ? -32.950 -21.525 -11.030 1.00 10.60 ? 123 THR B C   1 
ATOM   1025 O O   . THR A 1 117 ? -32.487 -20.490 -11.526 1.00 12.24 ? 123 THR B O   1 
ATOM   1026 C CB  . THR A 1 117 ? -31.498 -23.301 -12.084 1.00 10.23 ? 123 THR B CB  1 
ATOM   1027 O OG1 . THR A 1 117 ? -31.553 -24.524 -12.813 1.00 11.74 ? 123 THR B OG1 1 
ATOM   1028 C CG2 . THR A 1 117 ? -30.735 -23.472 -10.790 1.00 11.21 ? 123 THR B CG2 1 
ATOM   1029 N N   . THR A 1 118 ? -33.324 -21.602 -9.755  1.00 11.18 ? 124 THR B N   1 
ATOM   1030 C CA  . THR A 1 118 ? -33.279 -20.452 -8.843  1.00 11.73 ? 124 THR B CA  1 
ATOM   1031 C C   . THR A 1 118 ? -31.854 -19.980 -8.607  1.00 11.49 ? 124 THR B C   1 
ATOM   1032 O O   . THR A 1 118 ? -30.949 -20.832 -8.346  1.00 13.71 ? 124 THR B O   1 
ATOM   1033 C CB  . THR A 1 118 ? -33.944 -20.879 -7.521  1.00 14.59 ? 124 THR B CB  1 
ATOM   1034 O OG1 . THR A 1 118 ? -35.314 -21.173 -7.785  1.00 17.06 ? 124 THR B OG1 1 
ATOM   1035 C CG2 . THR A 1 118 ? -33.730 -19.840 -6.439  1.00 17.66 ? 124 THR B CG2 1 
ATOM   1036 N N   . LEU A 1 119 ? -31.583 -18.688 -8.697  1.00 10.61 ? 125 LEU B N   1 
ATOM   1037 C CA  . LEU A 1 119 ? -30.290 -18.091 -8.386  1.00 10.42 ? 125 LEU B CA  1 
ATOM   1038 C C   . LEU A 1 119 ? -30.366 -17.502 -6.969  1.00 12.72 ? 125 LEU B C   1 
ATOM   1039 O O   . LEU A 1 119 ? -31.485 -17.227 -6.476  1.00 16.63 ? 125 LEU B O   1 
ATOM   1040 C CB  . LEU A 1 119 ? -29.859 -17.018 -9.399  1.00 10.46 ? 125 LEU B CB  1 
ATOM   1041 C CG  . LEU A 1 119 ? -29.787 -17.534 -10.835 1.00 9.81  ? 125 LEU B CG  1 
ATOM   1042 C CD1 . LEU A 1 119 ? -29.543 -16.410 -11.825 1.00 10.74 ? 125 LEU B CD1 1 
ATOM   1043 C CD2 . LEU A 1 119 ? -28.732 -18.633 -10.975 1.00 10.74 ? 125 LEU B CD2 1 
ATOM   1044 N N   . HIS A 1 120 ? -29.250 -17.399 -6.300  1.00 11.74 ? 126 HIS B N   1 
ATOM   1045 C CA  . HIS A 1 120 ? -29.116 -16.928 -4.893  1.00 12.66 ? 126 HIS B CA  1 
ATOM   1046 C C   . HIS A 1 120 ? -28.269 -15.670 -4.928  1.00 14.37 ? 126 HIS B C   1 
ATOM   1047 O O   . HIS A 1 120 ? -27.015 -15.745 -4.972  1.00 19.94 ? 126 HIS B O   1 
ATOM   1048 C CB  . HIS A 1 120 ? -28.487 -18.033 -4.021  1.00 13.50 ? 126 HIS B CB  1 
ATOM   1049 C CG  . HIS A 1 120 ? -29.269 -19.301 -4.014  1.00 13.62 ? 126 HIS B CG  1 
ATOM   1050 N ND1 . HIS A 1 120 ? -28.951 -20.370 -4.833  1.00 16.24 ? 126 HIS B ND1 1 
ATOM   1051 C CD2 . HIS A 1 120 ? -30.336 -19.673 -3.311  1.00 16.58 ? 126 HIS B CD2 1 
ATOM   1052 C CE1 . HIS A 1 120 ? -29.822 -21.339 -4.605  1.00 17.26 ? 126 HIS B CE1 1 
ATOM   1053 N NE2 . HIS A 1 120 ? -30.655 -20.960 -3.673  1.00 15.85 ? 126 HIS B NE2 1 
ATOM   1054 N N   . ILE A 1 121 ? -28.897 -14.522 -5.015  1.00 16.32 ? 127 ILE B N   1 
ATOM   1055 C CA  . ILE A 1 121 ? -28.198 -13.217 -5.137  1.00 18.37 ? 127 ILE B CA  1 
ATOM   1056 C C   . ILE A 1 121 ? -28.594 -12.381 -3.894  1.00 18.81 ? 127 ILE B C   1 
ATOM   1057 O O   . ILE A 1 121 ? -29.775 -12.193 -3.649  1.00 24.96 ? 127 ILE B O   1 
ATOM   1058 C CB  . ILE A 1 121 ? -28.578 -12.553 -6.474  1.00 19.54 ? 127 ILE B CB  1 
ATOM   1059 C CG1 . ILE A 1 121 ? -28.105 -13.414 -7.668  1.00 18.25 ? 127 ILE B CG1 1 
ATOM   1060 C CG2 . ILE A 1 121 ? -28.057 -11.117 -6.483  1.00 24.75 ? 127 ILE B CG2 1 
ATOM   1061 C CD1 . ILE A 1 121 ? -28.342 -12.825 -9.043  1.00 18.12 ? 127 ILE B CD1 1 
ATOM   1062 N N   . GLN A 1 122 ? -27.612 -12.029 -3.090  1.00 22.27 ? 128 GLN B N   1 
ATOM   1063 C CA  . GLN A 1 122 ? -27.856 -11.240 -1.843  1.00 25.16 ? 128 GLN B CA  1 
ATOM   1064 C C   . GLN A 1 122 ? -27.833 -9.747  -2.181  1.00 22.43 ? 128 GLN B C   1 
ATOM   1065 O O   . GLN A 1 122 ? -28.618 -8.980  -1.556  1.00 22.99 ? 128 GLN B O   1 
ATOM   1066 C CB  . GLN A 1 122 ? -26.793 -11.576 -0.793  1.00 27.50 ? 128 GLN B CB  1 
ATOM   1067 C CG  . GLN A 1 122 ? -26.880 -10.740 0.491   1.00 34.48 ? 128 GLN B CG  1 
ATOM   1068 C CD  . GLN A 1 122 ? -28.173 -10.908 1.267   1.00 38.80 ? 128 GLN B CD  1 
ATOM   1069 O OE1 . GLN A 1 122 ? -28.875 -11.913 1.156   1.00 44.43 ? 128 GLN B OE1 1 
ATOM   1070 N NE2 . GLN A 1 122 ? -28.501 -9.909  2.076   1.00 40.98 ? 128 GLN B NE2 1 
ATOM   1071 N N   . VAL A 1 123 ? -27.036 -9.350  -3.174  1.00 18.92 ? 129 VAL B N   1 
ATOM   1072 C CA  . VAL A 1 123 ? -26.862 -7.914  -3.573  1.00 17.42 ? 129 VAL B CA  1 
ATOM   1073 C C   . VAL A 1 123 ? -27.419 -7.734  -4.975  1.00 17.07 ? 129 VAL B C   1 
ATOM   1074 O O   . VAL A 1 123 ? -26.771 -8.201  -5.925  1.00 15.64 ? 129 VAL B O   1 
ATOM   1075 C CB  . VAL A 1 123 ? -25.389 -7.499  -3.525  1.00 18.91 ? 129 VAL B CB  1 
ATOM   1076 C CG1 . VAL A 1 123 ? -25.175 -6.064  -4.030  1.00 19.67 ? 129 VAL B CG1 1 
ATOM   1077 C CG2 . VAL A 1 123 ? -24.852 -7.620  -2.098  1.00 21.03 ? 129 VAL B CG2 1 
ATOM   1078 N N   . PRO A 1 124 ? -28.638 -7.192  -5.175  1.00 15.48 ? 130 PRO B N   1 
ATOM   1079 C CA  . PRO A 1 124 ? -29.199 -7.092  -6.524  1.00 15.96 ? 130 PRO B CA  1 
ATOM   1080 C C   . PRO A 1 124 ? -28.222 -6.385  -7.436  1.00 14.91 ? 130 PRO B C   1 
ATOM   1081 O O   . PRO A 1 124 ? -27.682 -5.331  -7.143  1.00 15.67 ? 130 PRO B O   1 
ATOM   1082 C CB  . PRO A 1 124 ? -30.461 -6.240  -6.301  1.00 18.56 ? 130 PRO B CB  1 
ATOM   1083 C CG  . PRO A 1 124 ? -30.884 -6.633  -4.883  1.00 19.82 ? 130 PRO B CG  1 
ATOM   1084 C CD  . PRO A 1 124 ? -29.595 -6.737  -4.132  1.00 18.71 ? 130 PRO B CD  1 
ATOM   1085 N N   . PRO A 1 125 ? -27.826 -6.993  -8.572  1.00 13.36 ? 131 PRO B N   1 
ATOM   1086 C CA  . PRO A 1 125 ? -26.816 -6.405  -9.431  1.00 12.83 ? 131 PRO B CA  1 
ATOM   1087 C C   . PRO A 1 125 ? -27.324 -5.184  -10.202 1.00 12.84 ? 131 PRO B C   1 
ATOM   1088 O O   . PRO A 1 125 ? -28.419 -5.228  -10.720 1.00 13.44 ? 131 PRO B O   1 
ATOM   1089 C CB  . PRO A 1 125 ? -26.406 -7.569  -10.364 1.00 13.62 ? 131 PRO B CB  1 
ATOM   1090 C CG  . PRO A 1 125 ? -27.541 -8.511  -10.297 1.00 15.47 ? 131 PRO B CG  1 
ATOM   1091 C CD  . PRO A 1 125 ? -28.153 -8.384  -8.933  1.00 14.22 ? 131 PRO B CD  1 
ATOM   1092 N N   . CYS A 1 126 ? -26.454 -4.196  -10.349 1.00 12.44 ? 132 CYS B N   1 
ATOM   1093 C CA  . CYS A 1 126 ? -26.664 -3.097  -11.324 1.00 12.45 ? 132 CYS B CA  1 
ATOM   1094 C C   . CYS A 1 126 ? -25.866 -3.329  -12.598 1.00 12.24 ? 132 CYS B C   1 
ATOM   1095 O O   . CYS A 1 126 ? -26.168 -2.732  -13.612 1.00 11.70 ? 132 CYS B O   1 
ATOM   1096 C CB  . CYS A 1 126 ? -26.298 -1.746  -10.738 1.00 15.39 ? 132 CYS B CB  1 
ATOM   1097 S SG  . CYS A 1 126 ? -27.242 -1.324  -9.241  1.00 23.09 ? 132 CYS B SG  1 
ATOM   1098 N N   A GLN A 1 127 ? -24.766 -4.099  -12.543 0.25 12.36 ? 133 GLN B N   1 
ATOM   1099 N N   B GLN A 1 127 ? -24.929 -4.272  -12.522 0.25 12.44 ? 133 GLN B N   1 
ATOM   1100 C CA  A GLN A 1 127 ? -24.030 -4.530  -13.767 0.25 12.62 ? 133 GLN B CA  1 
ATOM   1101 C CA  B GLN A 1 127 ? -24.000 -4.578  -13.627 0.25 13.08 ? 133 GLN B CA  1 
ATOM   1102 C C   A GLN A 1 127 ? -23.660 -6.013  -13.648 0.25 11.76 ? 133 GLN B C   1 
ATOM   1103 C C   B GLN A 1 127 ? -23.759 -6.089  -13.600 0.25 11.90 ? 133 GLN B C   1 
ATOM   1104 O O   A GLN A 1 127 ? -23.214 -6.453  -12.569 0.25 10.79 ? 133 GLN B O   1 
ATOM   1105 O O   B GLN A 1 127 ? -23.650 -6.668  -12.501 0.25 10.59 ? 133 GLN B O   1 
ATOM   1106 C CB  A GLN A 1 127 ? -22.743 -3.747  -14.061 0.25 13.94 ? 133 GLN B CB  1 
ATOM   1107 C CB  B GLN A 1 127 ? -22.750 -3.711  -13.481 0.25 15.15 ? 133 GLN B CB  1 
ATOM   1108 C CG  A GLN A 1 127 ? -22.913 -2.248  -14.281 0.25 15.16 ? 133 GLN B CG  1 
ATOM   1109 C CG  B GLN A 1 127 ? -23.007 -2.231  -13.725 0.25 17.02 ? 133 GLN B CG  1 
ATOM   1110 C CD  A GLN A 1 127 ? -22.831 -1.490  -12.980 0.25 16.92 ? 133 GLN B CD  1 
ATOM   1111 C CD  B GLN A 1 127 ? -21.777 -1.466  -14.145 0.25 18.95 ? 133 GLN B CD  1 
ATOM   1112 O OE1 A GLN A 1 127 ? -22.104 -1.875  -12.071 0.25 17.74 ? 133 GLN B OE1 1 
ATOM   1113 O OE1 B GLN A 1 127 ? -20.678 -2.006  -14.213 0.25 22.90 ? 133 GLN B OE1 1 
ATOM   1114 N NE2 A GLN A 1 127 ? -23.614 -0.425  -12.866 0.25 16.78 ? 133 GLN B NE2 1 
ATOM   1115 N NE2 B GLN A 1 127 ? -21.957 -0.192  -14.423 0.25 21.56 ? 133 GLN B NE2 1 
ATOM   1116 N N   . ILE A 1 128 ? -23.807 -6.710  -14.778 1.00 10.83 ? 134 ILE B N   1 
ATOM   1117 C CA  . ILE A 1 128 ? -23.614 -8.181  -14.941 1.00 10.91 ? 134 ILE B CA  1 
ATOM   1118 C C   . ILE A 1 128 ? -22.391 -8.343  -15.855 1.00 11.12 ? 134 ILE B C   1 
ATOM   1119 O O   . ILE A 1 128 ? -22.348 -7.758  -16.962 1.00 10.88 ? 134 ILE B O   1 
ATOM   1120 C CB  . ILE A 1 128 ? -24.862 -8.823  -15.564 1.00 11.70 ? 134 ILE B CB  1 
ATOM   1121 C CG1 . ILE A 1 128 ? -26.167 -8.627  -14.765 1.00 14.72 ? 134 ILE B CG1 1 
ATOM   1122 C CG2 . ILE A 1 128 ? -24.595 -10.313 -15.850 1.00 11.76 ? 134 ILE B CG2 1 
ATOM   1123 C CD1 . ILE A 1 128 ? -26.172 -9.371  -13.526 1.00 14.24 ? 134 ILE B CD1 1 
ATOM   1124 N N   . GLY A 1 129 ? -21.454 -9.221  -15.479 1.00 10.99 ? 135 GLY B N   1 
ATOM   1125 C CA  . GLY A 1 129 ? -20.363 -9.671  -16.343 1.00 10.32 ? 135 GLY B CA  1 
ATOM   1126 C C   . GLY A 1 129 ? -20.664 -11.036 -16.933 1.00 10.12 ? 135 GLY B C   1 
ATOM   1127 O O   . GLY A 1 129 ? -21.217 -11.904 -16.251 1.00 10.86 ? 135 GLY B O   1 
ATOM   1128 N N   . ILE A 1 130 ? -20.399 -11.181 -18.234 1.00 10.10 ? 136 ILE B N   1 
ATOM   1129 C CA  . ILE A 1 130 ? -20.670 -12.446 -18.988 1.00 9.71  ? 136 ILE B CA  1 
ATOM   1130 C C   . ILE A 1 130 ? -19.356 -12.933 -19.587 1.00 10.68 ? 136 ILE B C   1 
ATOM   1131 O O   . ILE A 1 130 ? -18.671 -12.175 -20.279 1.00 10.43 ? 136 ILE B O   1 
ATOM   1132 C CB  . ILE A 1 130 ? -21.708 -12.206 -20.099 1.00 10.63 ? 136 ILE B CB  1 
ATOM   1133 C CG1 . ILE A 1 130 ? -22.994 -11.672 -19.469 1.00 11.52 ? 136 ILE B CG1 1 
ATOM   1134 C CG2 . ILE A 1 130 ? -21.986 -13.491 -20.863 1.00 11.49 ? 136 ILE B CG2 1 
ATOM   1135 C CD1 . ILE A 1 130 ? -24.024 -11.304 -20.443 1.00 14.71 ? 136 ILE B CD1 1 
ATOM   1136 N N   . PHE A 1 131 ? -18.997 -14.160 -19.228 1.00 10.09 ? 137 PHE B N   1 
ATOM   1137 C CA  . PHE A 1 131 ? -17.745 -14.810 -19.685 1.00 9.94  ? 137 PHE B CA  1 
ATOM   1138 C C   . PHE A 1 131 ? -18.099 -16.048 -20.483 1.00 9.62  ? 137 PHE B C   1 
ATOM   1139 O O   . PHE A 1 131 ? -18.878 -16.892 -20.016 1.00 10.30 ? 137 PHE B O   1 
ATOM   1140 C CB  . PHE A 1 131 ? -16.882 -15.206 -18.496 1.00 11.02 ? 137 PHE B CB  1 
ATOM   1141 C CG  . PHE A 1 131 ? -15.634 -15.958 -18.868 1.00 12.45 ? 137 PHE B CG  1 
ATOM   1142 C CD1 . PHE A 1 131 ? -14.625 -15.341 -19.560 1.00 13.59 ? 137 PHE B CD1 1 
ATOM   1143 C CD2 . PHE A 1 131 ? -15.468 -17.276 -18.511 1.00 13.69 ? 137 PHE B CD2 1 
ATOM   1144 C CE1 . PHE A 1 131 ? -13.464 -16.037 -19.888 1.00 16.02 ? 137 PHE B CE1 1 
ATOM   1145 C CE2 . PHE A 1 131 ? -14.332 -17.995 -18.871 1.00 15.40 ? 137 PHE B CE2 1 
ATOM   1146 C CZ  . PHE A 1 131 ? -13.327 -17.351 -19.532 1.00 15.55 ? 137 PHE B CZ  1 
ATOM   1147 N N   . VAL A 1 132 ? -17.533 -16.171 -21.689 1.00 9.91  ? 138 VAL B N   1 
ATOM   1148 C CA  . VAL A 1 132 ? -17.693 -17.361 -22.557 1.00 10.36 ? 138 VAL B CA  1 
ATOM   1149 C C   . VAL A 1 132 ? -16.314 -17.954 -22.837 1.00 9.94  ? 138 VAL B C   1 
ATOM   1150 O O   . VAL A 1 132 ? -15.420 -17.233 -23.293 1.00 11.42 ? 138 VAL B O   1 
ATOM   1151 C CB  . VAL A 1 132 ? -18.416 -17.012 -23.860 1.00 10.83 ? 138 VAL B CB  1 
ATOM   1152 C CG1 . VAL A 1 132 ? -18.535 -18.245 -24.722 1.00 12.68 ? 138 VAL B CG1 1 
ATOM   1153 C CG2 . VAL A 1 132 ? -19.788 -16.380 -23.604 1.00 12.21 ? 138 VAL B CG2 1 
ATOM   1154 N N   . ASP A 1 133 ? -16.177 -19.228 -22.519 1.00 10.01 ? 139 ASP B N   1 
ATOM   1155 C CA  . ASP A 1 133 ? -14.990 -20.013 -22.966 1.00 11.76 ? 139 ASP B CA  1 
ATOM   1156 C C   . ASP A 1 133 ? -15.485 -21.038 -23.981 1.00 10.10 ? 139 ASP B C   1 
ATOM   1157 O O   . ASP A 1 133 ? -16.116 -22.038 -23.619 1.00 10.69 ? 139 ASP B O   1 
ATOM   1158 C CB  . ASP A 1 133 ? -14.272 -20.642 -21.797 1.00 12.16 ? 139 ASP B CB  1 
ATOM   1159 C CG  . ASP A 1 133 ? -13.003 -21.421 -22.150 1.00 14.27 ? 139 ASP B CG  1 
ATOM   1160 O OD1 . ASP A 1 133 ? -12.877 -21.852 -23.318 1.00 15.03 ? 139 ASP B OD1 1 
ATOM   1161 O OD2 . ASP A 1 133 ? -12.199 -21.546 -21.189 1.00 18.52 ? 139 ASP B OD2 1 
ATOM   1162 N N   . TYR A 1 134 ? -15.262 -20.734 -25.264 1.00 11.03 ? 140 TYR B N   1 
ATOM   1163 C CA  . TYR A 1 134 ? -15.833 -21.572 -26.341 1.00 11.72 ? 140 TYR B CA  1 
ATOM   1164 C C   . TYR A 1 134 ? -15.324 -23.021 -26.266 1.00 11.98 ? 140 TYR B C   1 
ATOM   1165 O O   . TYR A 1 134 ? -16.065 -23.955 -26.243 1.00 13.14 ? 140 TYR B O   1 
ATOM   1166 C CB  . TYR A 1 134 ? -15.595 -20.940 -27.721 1.00 11.34 ? 140 TYR B CB  1 
ATOM   1167 C CG  . TYR A 1 134 ? -16.520 -21.537 -28.766 1.00 11.61 ? 140 TYR B CG  1 
ATOM   1168 C CD1 . TYR A 1 134 ? -16.335 -22.815 -29.277 1.00 11.82 ? 140 TYR B CD1 1 
ATOM   1169 C CD2 . TYR A 1 134 ? -17.668 -20.865 -29.164 1.00 11.62 ? 140 TYR B CD2 1 
ATOM   1170 C CE1 . TYR A 1 134 ? -17.235 -23.399 -30.143 1.00 11.06 ? 140 TYR B CE1 1 
ATOM   1171 C CE2 . TYR A 1 134 ? -18.573 -21.422 -30.049 1.00 11.67 ? 140 TYR B CE2 1 
ATOM   1172 C CZ  . TYR A 1 134 ? -18.370 -22.697 -30.557 1.00 11.03 ? 140 TYR B CZ  1 
ATOM   1173 O OH  . TYR A 1 134 ? -19.266 -23.299 -31.386 1.00 11.74 ? 140 TYR B OH  1 
ATOM   1174 N N   . GLU A 1 135 ? -14.024 -23.132 -26.126 1.00 13.80 ? 141 GLU B N   1 
ATOM   1175 C CA  . GLU A 1 135 ? -13.372 -24.467 -26.178 1.00 14.62 ? 141 GLU B CA  1 
ATOM   1176 C C   . GLU A 1 135 ? -13.801 -25.294 -24.983 1.00 14.38 ? 141 GLU B C   1 
ATOM   1177 O O   . GLU A 1 135 ? -14.134 -26.469 -25.152 1.00 16.57 ? 141 GLU B O   1 
ATOM   1178 C CB  . GLU A 1 135 ? -11.860 -24.338 -26.229 1.00 16.60 ? 141 GLU B CB  1 
ATOM   1179 C CG  . GLU A 1 135 ? -11.375 -24.112 -27.665 1.00 23.97 ? 141 GLU B CG  1 
ATOM   1180 C CD  . GLU A 1 135 ? -11.814 -22.833 -28.289 1.00 27.20 ? 141 GLU B CD  1 
ATOM   1181 O OE1 . GLU A 1 135 ? -12.107 -22.839 -29.445 1.00 23.32 ? 141 GLU B OE1 1 
ATOM   1182 O OE2 . GLU A 1 135 ? -11.860 -21.816 -27.571 1.00 28.33 ? 141 GLU B OE2 1 
ATOM   1183 N N   . ALA A 1 136 ? -13.866 -24.702 -23.796 1.00 13.10 ? 142 ALA B N   1 
ATOM   1184 C CA  . ALA A 1 136 ? -14.251 -25.419 -22.584 1.00 13.41 ? 142 ALA B CA  1 
ATOM   1185 C C   . ALA A 1 136 ? -15.755 -25.713 -22.537 1.00 13.71 ? 142 ALA B C   1 
ATOM   1186 O O   . ALA A 1 136 ? -16.167 -26.564 -21.764 1.00 15.90 ? 142 ALA B O   1 
ATOM   1187 C CB  . ALA A 1 136 ? -13.829 -24.638 -21.368 1.00 15.48 ? 142 ALA B CB  1 
ATOM   1188 N N   . GLY A 1 137 ? -16.591 -25.032 -23.307 1.00 11.71 ? 143 GLY B N   1 
ATOM   1189 C CA  . GLY A 1 137 ? -18.042 -25.169 -23.210 1.00 11.20 ? 143 GLY B CA  1 
ATOM   1190 C C   . GLY A 1 137 ? -18.604 -24.549 -21.916 1.00 9.92  ? 143 GLY B C   1 
ATOM   1191 O O   . GLY A 1 137 ? -19.374 -25.231 -21.225 1.00 11.23 ? 143 GLY B O   1 
ATOM   1192 N N   . VAL A 1 138 ? -18.182 -23.329 -21.604 1.00 10.30 ? 144 VAL B N   1 
ATOM   1193 C CA  . VAL A 1 138 ? -18.584 -22.628 -20.345 1.00 10.51 ? 144 VAL B CA  1 
ATOM   1194 C C   . VAL A 1 138 ? -19.169 -21.265 -20.682 1.00 9.80  ? 144 VAL B C   1 
ATOM   1195 O O   . VAL A 1 138 ? -18.578 -20.494 -21.451 1.00 10.39 ? 144 VAL B O   1 
ATOM   1196 C CB  . VAL A 1 138 ? -17.353 -22.465 -19.440 1.00 11.21 ? 144 VAL B CB  1 
ATOM   1197 C CG1 . VAL A 1 138 ? -17.621 -21.475 -18.282 1.00 12.04 ? 144 VAL B CG1 1 
ATOM   1198 C CG2 . VAL A 1 138 ? -16.908 -23.848 -18.958 1.00 13.07 ? 144 VAL B CG2 1 
ATOM   1199 N N   . VAL A 1 139 ? -20.263 -20.946 -19.997 1.00 10.09 ? 145 VAL B N   1 
ATOM   1200 C CA  . VAL A 1 139 ? -20.816 -19.557 -19.934 1.00 9.54  ? 145 VAL B CA  1 
ATOM   1201 C C   . VAL A 1 139 ? -21.029 -19.207 -18.455 1.00 8.82  ? 145 VAL B C   1 
ATOM   1202 O O   . VAL A 1 139 ? -21.800 -19.935 -17.778 1.00 9.52  ? 145 VAL B O   1 
ATOM   1203 C CB  . VAL A 1 139 ? -22.137 -19.445 -20.706 1.00 9.25  ? 145 VAL B CB  1 
ATOM   1204 C CG1 . VAL A 1 139 ? -22.628 -17.991 -20.680 1.00 9.74  ? 145 VAL B CG1 1 
ATOM   1205 C CG2 . VAL A 1 139 ? -22.015 -19.971 -22.126 1.00 9.42  ? 145 VAL B CG2 1 
ATOM   1206 N N   . SER A 1 140 ? -20.388 -18.168 -17.982 1.00 8.55  ? 146 SER B N   1 
ATOM   1207 C CA  . SER A 1 140 ? -20.492 -17.767 -16.570 1.00 9.48  ? 146 SER B CA  1 
ATOM   1208 C C   . SER A 1 140 ? -20.942 -16.309 -16.472 1.00 8.92  ? 146 SER B C   1 
ATOM   1209 O O   . SER A 1 140 ? -20.643 -15.485 -17.306 1.00 10.00 ? 146 SER B O   1 
ATOM   1210 C CB  . SER A 1 140 ? -19.162 -17.946 -15.848 1.00 9.43  ? 146 SER B CB  1 
ATOM   1211 O OG  . SER A 1 140 ? -18.796 -19.328 -15.741 1.00 10.69 ? 146 SER B OG  1 
ATOM   1212 N N   . PHE A 1 141 ? -21.626 -16.042 -15.363 1.00 8.75  ? 147 PHE B N   1 
ATOM   1213 C CA  . PHE A 1 141 ? -22.255 -14.752 -15.048 1.00 9.34  ? 147 PHE B CA  1 
ATOM   1214 C C   . PHE A 1 141 ? -21.721 -14.285 -13.705 1.00 8.93  ? 147 PHE B C   1 
ATOM   1215 O O   . PHE A 1 141 ? -21.736 -15.068 -12.727 1.00 9.18  ? 147 PHE B O   1 
ATOM   1216 C CB  . PHE A 1 141 ? -23.795 -14.856 -15.039 1.00 9.09  ? 147 PHE B CB  1 
ATOM   1217 C CG  . PHE A 1 141 ? -24.378 -15.249 -16.369 1.00 9.00  ? 147 PHE B CG  1 
ATOM   1218 C CD1 . PHE A 1 141 ? -24.426 -16.585 -16.771 1.00 8.77  ? 147 PHE B CD1 1 
ATOM   1219 C CD2 . PHE A 1 141 ? -24.897 -14.286 -17.220 1.00 9.16  ? 147 PHE B CD2 1 
ATOM   1220 C CE1 . PHE A 1 141 ? -24.941 -16.930 -18.019 1.00 9.30  ? 147 PHE B CE1 1 
ATOM   1221 C CE2 . PHE A 1 141 ? -25.388 -14.650 -18.477 1.00 8.97  ? 147 PHE B CE2 1 
ATOM   1222 C CZ  . PHE A 1 141 ? -25.443 -15.972 -18.857 1.00 8.86  ? 147 PHE B CZ  1 
ATOM   1223 N N   . TYR A 1 142 ? -21.403 -12.999 -13.623 1.00 9.29  ? 148 TYR B N   1 
ATOM   1224 C CA  . TYR A 1 142 ? -20.747 -12.388 -12.439 1.00 10.37 ? 148 TYR B CA  1 
ATOM   1225 C C   . TYR A 1 142 ? -21.532 -11.147 -12.026 1.00 10.79 ? 148 TYR B C   1 
ATOM   1226 O O   . TYR A 1 142 ? -21.993 -10.332 -12.842 1.00 10.99 ? 148 TYR B O   1 
ATOM   1227 C CB  . TYR A 1 142 ? -19.273 -12.079 -12.706 1.00 11.32 ? 148 TYR B CB  1 
ATOM   1228 C CG  . TYR A 1 142 ? -18.461 -13.315 -12.990 1.00 11.49 ? 148 TYR B CG  1 
ATOM   1229 C CD1 . TYR A 1 142 ? -17.961 -14.111 -11.970 1.00 12.07 ? 148 TYR B CD1 1 
ATOM   1230 C CD2 . TYR A 1 142 ? -18.293 -13.766 -14.286 1.00 12.13 ? 148 TYR B CD2 1 
ATOM   1231 C CE1 . TYR A 1 142 ? -17.304 -15.302 -12.245 1.00 12.31 ? 148 TYR B CE1 1 
ATOM   1232 C CE2 . TYR A 1 142 ? -17.617 -14.937 -14.579 1.00 12.51 ? 148 TYR B CE2 1 
ATOM   1233 C CZ  . TYR A 1 142 ? -17.098 -15.704 -13.554 1.00 12.90 ? 148 TYR B CZ  1 
ATOM   1234 O OH  . TYR A 1 142 ? -16.437 -16.897 -13.806 1.00 14.64 ? 148 TYR B OH  1 
ATOM   1235 N N   . ASN A 1 143 ? -21.550 -10.913 -10.722 1.00 11.83 ? 149 ASN B N   1 
ATOM   1236 C CA  . ASN A 1 143 ? -22.252 -9.752  -10.091 1.00 11.64 ? 149 ASN B CA  1 
ATOM   1237 C C   . ASN A 1 143 ? -21.217 -8.644  -9.920  1.00 11.04 ? 149 ASN B C   1 
ATOM   1238 O O   . ASN A 1 143 ? -20.457 -8.669  -8.903  1.00 13.78 ? 149 ASN B O   1 
ATOM   1239 C CB  . ASN A 1 143 ? -22.865 -10.194 -8.772  1.00 11.85 ? 149 ASN B CB  1 
ATOM   1240 C CG  . ASN A 1 143 ? -23.698 -9.101  -8.107  1.00 12.34 ? 149 ASN B CG  1 
ATOM   1241 O OD1 . ASN A 1 143 ? -23.526 -7.922  -8.456  1.00 13.24 ? 149 ASN B OD1 1 
ATOM   1242 N ND2 . ASN A 1 143 ? -24.603 -9.505  -7.262  1.00 13.70 ? 149 ASN B ND2 1 
ATOM   1243 N N   . ILE A 1 144 ? -21.146 -7.654  -10.804 1.00 12.73 ? 150 ILE B N   1 
ATOM   1244 C CA  . ILE A 1 144 ? -20.072 -6.633  -10.752 1.00 14.04 ? 150 ILE B CA  1 
ATOM   1245 C C   . ILE A 1 144 ? -20.331 -5.744  -9.520  1.00 15.26 ? 150 ILE B C   1 
ATOM   1246 O O   . ILE A 1 144 ? -19.338 -5.280  -8.929  1.00 17.64 ? 150 ILE B O   1 
ATOM   1247 C CB  . ILE A 1 144 ? -20.051 -5.830  -12.059 1.00 14.40 ? 150 ILE B CB  1 
ATOM   1248 C CG1 . ILE A 1 144 ? -19.868 -6.750  -13.279 1.00 15.19 ? 150 ILE B CG1 1 
ATOM   1249 C CG2 . ILE A 1 144 ? -19.019 -4.718  -12.050 1.00 16.29 ? 150 ILE B CG2 1 
ATOM   1250 C CD1 . ILE A 1 144 ? -18.828 -7.816  -13.092 1.00 18.38 ? 150 ILE B CD1 1 
ATOM   1251 N N   . THR A 1 145 ? -21.574 -5.537  -9.127  1.00 14.59 ? 151 THR B N   1 
ATOM   1252 C CA  . THR A 1 145 ? -21.964 -4.678  -7.963  1.00 15.54 ? 151 THR B CA  1 
ATOM   1253 C C   . THR A 1 145 ? -21.404 -5.315  -6.694  1.00 18.60 ? 151 THR B C   1 
ATOM   1254 O O   . THR A 1 145 ? -20.957 -4.563  -5.798  1.00 21.24 ? 151 THR B O   1 
ATOM   1255 C CB  . THR A 1 145 ? -23.490 -4.546  -7.911  1.00 14.85 ? 151 THR B CB  1 
ATOM   1256 O OG1 . THR A 1 145 ? -23.955 -4.082  -9.169  1.00 15.18 ? 151 THR B OG1 1 
ATOM   1257 C CG2 . THR A 1 145 ? -23.923 -3.569  -6.836  1.00 16.54 ? 151 THR B CG2 1 
ATOM   1258 N N   . ASP A 1 146 ? -21.356 -6.641  -6.603  1.00 16.25 ? 152 ASP B N   1 
ATOM   1259 C CA  . ASP A 1 146 ? -20.834 -7.399  -5.433  1.00 17.56 ? 152 ASP B CA  1 
ATOM   1260 C C   . ASP A 1 146 ? -19.417 -7.937  -5.694  1.00 17.88 ? 152 ASP B C   1 
ATOM   1261 O O   . ASP A 1 146 ? -19.214 -9.137  -5.520  1.00 18.69 ? 152 ASP B O   1 
ATOM   1262 C CB  . ASP A 1 146 ? -21.851 -8.441  -5.056  1.00 17.66 ? 152 ASP B CB  1 
ATOM   1263 C CG  . ASP A 1 146 ? -21.472 -9.230  -3.827  1.00 20.84 ? 152 ASP B CG  1 
ATOM   1264 O OD1 . ASP A 1 146 ? -20.987 -8.604  -2.859  1.00 22.71 ? 152 ASP B OD1 1 
ATOM   1265 O OD2 . ASP A 1 146 ? -21.667 -10.446 -3.860  1.00 21.66 ? 152 ASP B OD2 1 
ATOM   1266 N N   . HIS A 1 147 ? -18.498 -7.092  -6.110  1.00 19.80 ? 153 HIS B N   1 
ATOM   1267 C CA  . HIS A 1 147 ? -17.046 -7.408  -6.220  1.00 23.37 ? 153 HIS B CA  1 
ATOM   1268 C C   . HIS A 1 147 ? -16.854 -8.614  -7.154  1.00 21.70 ? 153 HIS B C   1 
ATOM   1269 O O   . HIS A 1 147 ? -15.956 -9.416  -6.947  1.00 24.15 ? 153 HIS B O   1 
ATOM   1270 C CB  . HIS A 1 147 ? -16.402 -7.754  -4.859  1.00 28.56 ? 153 HIS B CB  1 
ATOM   1271 C CG  . HIS A 1 147 ? -16.693 -6.852  -3.699  1.00 36.91 ? 153 HIS B CG  1 
ATOM   1272 N ND1 . HIS A 1 147 ? -16.021 -5.658  -3.498  1.00 42.97 ? 153 HIS B ND1 1 
ATOM   1273 C CD2 . HIS A 1 147 ? -17.522 -7.005  -2.640  1.00 41.19 ? 153 HIS B CD2 1 
ATOM   1274 C CE1 . HIS A 1 147 ? -16.454 -5.091  -2.387  1.00 46.24 ? 153 HIS B CE1 1 
ATOM   1275 N NE2 . HIS A 1 147 ? -17.377 -5.901  -1.836  1.00 43.93 ? 153 HIS B NE2 1 
ATOM   1276 N N   . GLY A 1 148 ? -17.695 -8.762  -8.176  1.00 17.36 ? 154 GLY B N   1 
ATOM   1277 C CA  . GLY A 1 148 ? -17.483 -9.825  -9.177  1.00 15.46 ? 154 GLY B CA  1 
ATOM   1278 C C   . GLY A 1 148 ? -17.922 -11.196 -8.722  1.00 14.27 ? 154 GLY B C   1 
ATOM   1279 O O   . GLY A 1 148 ? -17.407 -12.125 -9.316  1.00 15.11 ? 154 GLY B O   1 
ATOM   1280 N N   . SER A 1 149 ? -18.741 -11.347 -7.704  1.00 13.35 ? 155 SER B N   1 
ATOM   1281 C CA  . SER A 1 149 ? -19.106 -12.683 -7.190  1.00 12.20 ? 155 SER B CA  1 
ATOM   1282 C C   . SER A 1 149 ? -19.804 -13.512 -8.279  1.00 12.76 ? 155 SER B C   1 
ATOM   1283 O O   . SER A 1 149 ? -20.595 -12.984 -9.104  1.00 12.55 ? 155 SER B O   1 
ATOM   1284 C CB  . SER A 1 149 ? -19.977 -12.579 -5.954  1.00 13.51 ? 155 SER B CB  1 
ATOM   1285 O OG  . SER A 1 149 ? -21.157 -11.807 -6.156  1.00 14.41 ? 155 SER B OG  1 
ATOM   1286 N N   . LEU A 1 150 ? -19.609 -14.807 -8.269  1.00 11.43 ? 156 LEU B N   1 
ATOM   1287 C CA  . LEU A 1 150 ? -20.254 -15.711 -9.252  1.00 10.95 ? 156 LEU B CA  1 
ATOM   1288 C C   . LEU A 1 150 ? -21.753 -15.760 -9.024  1.00 10.80 ? 156 LEU B C   1 
ATOM   1289 O O   . LEU A 1 150 ? -22.270 -15.975 -7.893  1.00 11.13 ? 156 LEU B O   1 
ATOM   1290 C CB  . LEU A 1 150 ? -19.654 -17.112 -9.105  1.00 11.12 ? 156 LEU B CB  1 
ATOM   1291 C CG  . LEU A 1 150 ? -20.227 -18.161 -10.084 1.00 11.09 ? 156 LEU B CG  1 
ATOM   1292 C CD1 . LEU A 1 150 ? -19.828 -17.884 -11.523 1.00 11.27 ? 156 LEU B CD1 1 
ATOM   1293 C CD2 . LEU A 1 150 ? -19.703 -19.556 -9.672  1.00 12.43 ? 156 LEU B CD2 1 
ATOM   1294 N N   . ILE A 1 151 ? -22.520 -15.616 -10.118 1.00 9.72  ? 157 ILE B N   1 
ATOM   1295 C CA  . ILE A 1 151 ? -23.969 -15.830 -10.139 1.00 10.03 ? 157 ILE B CA  1 
ATOM   1296 C C   . ILE A 1 151 ? -24.317 -17.236 -10.609 1.00 9.44  ? 157 ILE B C   1 
ATOM   1297 O O   . ILE A 1 151 ? -25.120 -17.940 -10.023 1.00 9.59  ? 157 ILE B O   1 
ATOM   1298 C CB  . ILE A 1 151 ? -24.647 -14.747 -11.020 1.00 10.38 ? 157 ILE B CB  1 
ATOM   1299 C CG1 . ILE A 1 151 ? -24.492 -13.351 -10.425 1.00 10.95 ? 157 ILE B CG1 1 
ATOM   1300 C CG2 . ILE A 1 151 ? -26.113 -15.099 -11.236 1.00 10.41 ? 157 ILE B CG2 1 
ATOM   1301 C CD1 . ILE A 1 151 ? -24.916 -12.244 -11.365 1.00 11.00 ? 157 ILE B CD1 1 
ATOM   1302 N N   . TYR A 1 152 ? -23.754 -17.659 -11.753 1.00 9.35  ? 158 TYR B N   1 
ATOM   1303 C CA  . TYR A 1 152 ? -24.136 -18.963 -12.345 1.00 8.84  ? 158 TYR B CA  1 
ATOM   1304 C C   . TYR A 1 152 ? -23.096 -19.372 -13.387 1.00 8.54  ? 158 TYR B C   1 
ATOM   1305 O O   . TYR A 1 152 ? -22.587 -18.505 -14.123 1.00 9.15  ? 158 TYR B O   1 
ATOM   1306 C CB  . TYR A 1 152 ? -25.514 -18.889 -13.068 1.00 8.80  ? 158 TYR B CB  1 
ATOM   1307 C CG  . TYR A 1 152 ? -26.056 -20.242 -13.406 1.00 9.03  ? 158 TYR B CG  1 
ATOM   1308 C CD1 . TYR A 1 152 ? -26.716 -21.027 -12.468 1.00 9.68  ? 158 TYR B CD1 1 
ATOM   1309 C CD2 . TYR A 1 152 ? -25.929 -20.757 -14.696 1.00 9.09  ? 158 TYR B CD2 1 
ATOM   1310 C CE1 . TYR A 1 152 ? -27.159 -22.296 -12.775 1.00 10.02 ? 158 TYR B CE1 1 
ATOM   1311 C CE2 . TYR A 1 152 ? -26.373 -22.014 -15.014 1.00 9.89  ? 158 TYR B CE2 1 
ATOM   1312 C CZ  . TYR A 1 152 ? -26.971 -22.789 -14.049 1.00 10.10 ? 158 TYR B CZ  1 
ATOM   1313 O OH  . TYR A 1 152 ? -27.377 -24.074 -14.326 1.00 12.55 ? 158 TYR B OH  1 
ATOM   1314 N N   . THR A 1 153 ? -22.826 -20.676 -13.489 1.00 8.78  ? 159 THR B N   1 
ATOM   1315 C CA  . THR A 1 153 ? -21.997 -21.281 -14.555 1.00 9.16  ? 159 THR B CA  1 
ATOM   1316 C C   . THR A 1 153 ? -22.765 -22.388 -15.241 1.00 9.08  ? 159 THR B C   1 
ATOM   1317 O O   . THR A 1 153 ? -23.152 -23.367 -14.624 1.00 10.11 ? 159 THR B O   1 
ATOM   1318 C CB  . THR A 1 153 ? -20.659 -21.818 -14.005 1.00 9.74  ? 159 THR B CB  1 
ATOM   1319 O OG1 . THR A 1 153 ? -19.885 -20.705 -13.582 1.00 10.09 ? 159 THR B OG1 1 
ATOM   1320 C CG2 . THR A 1 153 ? -19.916 -22.647 -15.045 1.00 10.88 ? 159 THR B CG2 1 
ATOM   1321 N N   . PHE A 1 154 ? -22.981 -22.215 -16.555 1.00 9.27  ? 160 PHE B N   1 
ATOM   1322 C CA  . PHE A 1 154 ? -23.363 -23.323 -17.461 1.00 9.07  ? 160 PHE B CA  1 
ATOM   1323 C C   . PHE A 1 154 ? -22.049 -23.997 -17.895 1.00 9.72  ? 160 PHE B C   1 
ATOM   1324 O O   . PHE A 1 154 ? -21.182 -23.351 -18.466 1.00 10.34 ? 160 PHE B O   1 
ATOM   1325 C CB  . PHE A 1 154 ? -24.040 -22.818 -18.732 1.00 9.57  ? 160 PHE B CB  1 
ATOM   1326 C CG  . PHE A 1 154 ? -25.408 -22.193 -18.573 1.00 8.31  ? 160 PHE B CG  1 
ATOM   1327 C CD1 . PHE A 1 154 ? -25.582 -20.839 -18.315 1.00 7.99  ? 160 PHE B CD1 1 
ATOM   1328 C CD2 . PHE A 1 154 ? -26.532 -22.954 -18.773 1.00 8.93  ? 160 PHE B CD2 1 
ATOM   1329 C CE1 . PHE A 1 154 ? -26.855 -20.302 -18.238 1.00 8.82  ? 160 PHE B CE1 1 
ATOM   1330 C CE2 . PHE A 1 154 ? -27.813 -22.413 -18.693 1.00 9.26  ? 160 PHE B CE2 1 
ATOM   1331 C CZ  . PHE A 1 154 ? -27.953 -21.070 -18.429 1.00 8.47  ? 160 PHE B CZ  1 
ATOM   1332 N N   . SER A 1 155 ? -21.948 -25.296 -17.619 1.00 11.20 ? 161 SER B N   1 
ATOM   1333 C CA  . SER A 1 155 ? -20.794 -26.086 -18.082 1.00 11.90 ? 161 SER B CA  1 
ATOM   1334 C C   . SER A 1 155 ? -21.333 -27.233 -18.910 1.00 11.93 ? 161 SER B C   1 
ATOM   1335 O O   . SER A 1 155 ? -22.529 -27.480 -18.997 1.00 13.79 ? 161 SER B O   1 
ATOM   1336 C CB  . SER A 1 155 ? -19.978 -26.503 -16.884 1.00 12.89 ? 161 SER B CB  1 
ATOM   1337 O OG  . SER A 1 155 ? -20.632 -27.472 -16.126 1.00 17.46 ? 161 SER B OG  1 
ATOM   1338 N N   . GLU A 1 156 ? -20.401 -27.893 -19.615 1.00 13.89 ? 162 GLU B N   1 
ATOM   1339 C CA  . GLU A 1 156 ? -20.759 -28.978 -20.574 1.00 15.70 ? 162 GLU B CA  1 
ATOM   1340 C C   . GLU A 1 156 ? -21.702 -28.417 -21.639 1.00 13.68 ? 162 GLU B C   1 
ATOM   1341 O O   . GLU A 1 156 ? -22.638 -29.136 -22.119 1.00 15.88 ? 162 GLU B O   1 
ATOM   1342 C CB  . GLU A 1 156 ? -21.415 -30.171 -19.875 1.00 18.57 ? 162 GLU B CB  1 
ATOM   1343 C CG  . GLU A 1 156 ? -20.713 -30.651 -18.620 1.00 23.92 ? 162 GLU B CG  1 
ATOM   1344 C CD  . GLU A 1 156 ? -21.328 -31.971 -18.217 1.00 33.92 ? 162 GLU B CD  1 
ATOM   1345 O OE1 . GLU A 1 156 ? -22.404 -31.957 -17.575 1.00 36.64 ? 162 GLU B OE1 1 
ATOM   1346 O OE2 . GLU A 1 156 ? -20.814 -33.004 -18.676 1.00 40.41 ? 162 GLU B OE2 1 
ATOM   1347 N N   . CYS A 1 157 ? -21.466 -27.162 -22.026 1.00 12.49 ? 163 CYS B N   1 
ATOM   1348 C CA  . CYS A 1 157 ? -22.328 -26.532 -23.045 1.00 11.61 ? 163 CYS B CA  1 
ATOM   1349 C C   . CYS A 1 157 ? -22.092 -27.195 -24.404 1.00 12.53 ? 163 CYS B C   1 
ATOM   1350 O O   . CYS A 1 157 ? -20.889 -27.404 -24.750 1.00 14.37 ? 163 CYS B O   1 
ATOM   1351 C CB  . CYS A 1 157 ? -22.137 -25.015 -23.180 1.00 11.05 ? 163 CYS B CB  1 
ATOM   1352 S SG  . CYS A 1 157 ? -22.532 -24.073 -21.685 1.00 11.42 ? 163 CYS B SG  1 
ATOM   1353 N N   . VAL A 1 158 ? -23.139 -27.383 -25.160 1.00 12.31 ? 164 VAL B N   1 
ATOM   1354 C CA  . VAL A 1 158 ? -22.999 -27.895 -26.548 1.00 13.39 ? 164 VAL B CA  1 
ATOM   1355 C C   . VAL A 1 158 ? -23.452 -26.743 -27.438 1.00 12.05 ? 164 VAL B C   1 
ATOM   1356 O O   . VAL A 1 158 ? -24.628 -26.653 -27.807 1.00 14.58 ? 164 VAL B O   1 
ATOM   1357 C CB  . VAL A 1 158 ? -23.756 -29.245 -26.701 1.00 16.15 ? 164 VAL B CB  1 
ATOM   1358 C CG1 . VAL A 1 158 ? -23.653 -29.717 -28.152 1.00 16.00 ? 164 VAL B CG1 1 
ATOM   1359 C CG2 . VAL A 1 158 ? -23.247 -30.311 -25.731 1.00 17.16 ? 164 VAL B CG2 1 
ATOM   1360 N N   . PHE A 1 159 ? -22.553 -25.827 -27.772 1.00 11.57 ? 165 PHE B N   1 
ATOM   1361 C CA  . PHE A 1 159 ? -22.874 -24.588 -28.508 1.00 12.16 ? 165 PHE B CA  1 
ATOM   1362 C C   . PHE A 1 159 ? -23.454 -24.956 -29.870 1.00 13.20 ? 165 PHE B C   1 
ATOM   1363 O O   . PHE A 1 159 ? -24.451 -24.360 -30.312 1.00 14.30 ? 165 PHE B O   1 
ATOM   1364 C CB  . PHE A 1 159 ? -21.699 -23.629 -28.531 1.00 11.68 ? 165 PHE B CB  1 
ATOM   1365 C CG  . PHE A 1 159 ? -21.264 -23.139 -27.166 1.00 10.56 ? 165 PHE B CG  1 
ATOM   1366 C CD1 . PHE A 1 159 ? -22.197 -22.627 -26.263 1.00 10.65 ? 165 PHE B CD1 1 
ATOM   1367 C CD2 . PHE A 1 159 ? -19.931 -23.134 -26.792 1.00 11.83 ? 165 PHE B CD2 1 
ATOM   1368 C CE1 . PHE A 1 159 ? -21.785 -22.169 -25.009 1.00 10.68 ? 165 PHE B CE1 1 
ATOM   1369 C CE2 . PHE A 1 159 ? -19.524 -22.686 -25.544 1.00 11.57 ? 165 PHE B CE2 1 
ATOM   1370 C CZ  . PHE A 1 159 ? -20.452 -22.145 -24.679 1.00 10.90 ? 165 PHE B CZ  1 
ATOM   1371 N N   . ALA A 1 160 ? -22.760 -25.825 -30.616 1.00 12.57 ? 166 ALA B N   1 
ATOM   1372 C CA  . ALA A 1 160 ? -23.223 -26.412 -31.895 1.00 12.84 ? 166 ALA B CA  1 
ATOM   1373 C C   . ALA A 1 160 ? -23.349 -25.341 -32.962 1.00 12.09 ? 166 ALA B C   1 
ATOM   1374 O O   . ALA A 1 160 ? -24.182 -25.547 -33.919 1.00 13.71 ? 166 ALA B O   1 
ATOM   1375 C CB  . ALA A 1 160 ? -24.482 -27.175 -31.701 1.00 13.39 ? 166 ALA B CB  1 
ATOM   1376 N N   . GLY A 1 161 ? -22.571 -24.296 -32.894 1.00 12.80 ? 167 GLY B N   1 
ATOM   1377 C CA  . GLY A 1 161 ? -22.619 -23.209 -33.878 1.00 13.37 ? 167 GLY B CA  1 
ATOM   1378 C C   . GLY A 1 161 ? -21.885 -21.983 -33.391 1.00 12.07 ? 167 GLY B C   1 
ATOM   1379 O O   . GLY A 1 161 ? -21.472 -21.926 -32.200 1.00 12.51 ? 167 GLY B O   1 
ATOM   1380 N N   . PRO A 1 162 ? -21.774 -20.955 -34.212 1.00 11.25 ? 168 PRO B N   1 
ATOM   1381 C CA  . PRO A 1 162 ? -21.302 -19.657 -33.764 1.00 11.01 ? 168 PRO B CA  1 
ATOM   1382 C C   . PRO A 1 162 ? -22.252 -19.091 -32.690 1.00 11.30 ? 168 PRO B C   1 
ATOM   1383 O O   . PRO A 1 162 ? -23.467 -19.329 -32.757 1.00 11.44 ? 168 PRO B O   1 
ATOM   1384 C CB  . PRO A 1 162 ? -21.308 -18.759 -35.008 1.00 11.79 ? 168 PRO B CB  1 
ATOM   1385 C CG  . PRO A 1 162 ? -21.451 -19.779 -36.167 1.00 12.03 ? 168 PRO B CG  1 
ATOM   1386 C CD  . PRO A 1 162 ? -22.222 -20.909 -35.618 1.00 11.18 ? 168 PRO B CD  1 
ATOM   1387 N N   . LEU A 1 163 ? -21.675 -18.341 -31.769 1.00 10.50 ? 169 LEU B N   1 
ATOM   1388 C CA  . LEU A 1 163 ? -22.449 -17.685 -30.664 1.00 9.75  ? 169 LEU B CA  1 
ATOM   1389 C C   . LEU A 1 163 ? -22.562 -16.195 -30.928 1.00 10.26 ? 169 LEU B C   1 
ATOM   1390 O O   . LEU A 1 163 ? -21.619 -15.565 -31.393 1.00 11.73 ? 169 LEU B O   1 
ATOM   1391 C CB  . LEU A 1 163 ? -21.759 -17.920 -29.318 1.00 10.61 ? 169 LEU B CB  1 
ATOM   1392 C CG  . LEU A 1 163 ? -21.785 -19.351 -28.784 1.00 11.89 ? 169 LEU B CG  1 
ATOM   1393 C CD1 . LEU A 1 163 ? -20.952 -19.417 -27.523 1.00 11.51 ? 169 LEU B CD1 1 
ATOM   1394 C CD2 . LEU A 1 163 ? -23.201 -19.846 -28.542 1.00 12.40 ? 169 LEU B CD2 1 
ATOM   1395 N N   . ARG A 1 164 ? -23.694 -15.629 -30.511 1.00 10.17 ? 170 ARG B N   1 
ATOM   1396 C CA  . ARG A 1 164 ? -23.916 -14.171 -30.508 1.00 10.10 ? 170 ARG B CA  1 
ATOM   1397 C C   . ARG A 1 164 ? -24.331 -13.693 -29.120 1.00 8.59  ? 170 ARG B C   1 
ATOM   1398 O O   . ARG A 1 164 ? -25.092 -14.374 -28.430 1.00 9.12  ? 170 ARG B O   1 
ATOM   1399 C CB  . ARG A 1 164 ? -24.981 -13.825 -31.546 1.00 11.75 ? 170 ARG B CB  1 
ATOM   1400 C CG  . ARG A 1 164 ? -24.481 -14.168 -32.955 1.00 13.55 ? 170 ARG B CG  1 
ATOM   1401 C CD  . ARG A 1 164 ? -25.396 -13.788 -34.077 1.00 15.02 ? 170 ARG B CD  1 
ATOM   1402 N NE  . ARG A 1 164 ? -25.416 -12.352 -34.178 1.00 14.92 ? 170 ARG B NE  1 
ATOM   1403 C CZ  . ARG A 1 164 ? -26.129 -11.753 -35.096 1.00 15.84 ? 170 ARG B CZ  1 
ATOM   1404 N NH1 . ARG A 1 164 ? -26.744 -12.453 -36.020 1.00 16.18 ? 170 ARG B NH1 1 
ATOM   1405 N NH2 . ARG A 1 164 ? -26.171 -10.448 -35.088 1.00 14.24 ? 170 ARG B NH2 1 
ATOM   1406 N N   . PRO A 1 165 ? -23.874 -12.508 -28.694 1.00 8.36  ? 171 PRO B N   1 
ATOM   1407 C CA  . PRO A 1 165 ? -24.411 -11.904 -27.465 1.00 8.41  ? 171 PRO B CA  1 
ATOM   1408 C C   . PRO A 1 165 ? -25.931 -11.727 -27.619 1.00 8.25  ? 171 PRO B C   1 
ATOM   1409 O O   . PRO A 1 165 ? -26.433 -11.408 -28.676 1.00 9.07  ? 171 PRO B O   1 
ATOM   1410 C CB  . PRO A 1 165 ? -23.715 -10.552 -27.355 1.00 8.85  ? 171 PRO B CB  1 
ATOM   1411 C CG  . PRO A 1 165 ? -22.421 -10.753 -28.172 1.00 10.06 ? 171 PRO B CG  1 
ATOM   1412 C CD  . PRO A 1 165 ? -22.855 -11.646 -29.309 1.00 10.13 ? 171 PRO B CD  1 
ATOM   1413 N N   . PHE A 1 166 ? -26.667 -12.021 -26.542 1.00 8.01  ? 172 PHE B N   1 
ATOM   1414 C CA  . PHE A 1 166 ? -28.142 -12.048 -26.503 1.00 8.33  ? 172 PHE B CA  1 
ATOM   1415 C C   . PHE A 1 166 ? -28.651 -11.105 -25.408 1.00 7.46  ? 172 PHE B C   1 
ATOM   1416 O O   . PHE A 1 166 ? -28.164 -11.104 -24.270 1.00 7.94  ? 172 PHE B O   1 
ATOM   1417 C CB  . PHE A 1 166 ? -28.628 -13.476 -26.254 1.00 8.76  ? 172 PHE B CB  1 
ATOM   1418 C CG  . PHE A 1 166 ? -30.125 -13.575 -26.070 1.00 8.79  ? 172 PHE B CG  1 
ATOM   1419 C CD1 . PHE A 1 166 ? -30.968 -13.556 -27.171 1.00 9.63  ? 172 PHE B CD1 1 
ATOM   1420 C CD2 . PHE A 1 166 ? -30.702 -13.612 -24.813 1.00 9.81  ? 172 PHE B CD2 1 
ATOM   1421 C CE1 . PHE A 1 166 ? -32.343 -13.616 -27.010 1.00 10.08 ? 172 PHE B CE1 1 
ATOM   1422 C CE2 . PHE A 1 166 ? -32.073 -13.617 -24.665 1.00 9.99  ? 172 PHE B CE2 1 
ATOM   1423 C CZ  . PHE A 1 166 ? -32.893 -13.645 -25.765 1.00 10.14 ? 172 PHE B CZ  1 
ATOM   1424 N N   . PHE A 1 167 ? -29.726 -10.363 -25.749 1.00 7.74  ? 173 PHE B N   1 
ATOM   1425 C CA  . PHE A 1 167 ? -30.323 -9.342  -24.860 1.00 7.72  ? 173 PHE B CA  1 
ATOM   1426 C C   . PHE A 1 167 ? -31.842 -9.402  -24.987 1.00 8.47  ? 173 PHE B C   1 
ATOM   1427 O O   . PHE A 1 167 ? -32.376 -9.462  -26.111 1.00 9.23  ? 173 PHE B O   1 
ATOM   1428 C CB  . PHE A 1 167 ? -29.888 -7.921  -25.245 1.00 8.47  ? 173 PHE B CB  1 
ATOM   1429 C CG  . PHE A 1 167 ? -28.385 -7.781  -25.359 1.00 8.21  ? 173 PHE B CG  1 
ATOM   1430 C CD1 . PHE A 1 167 ? -27.717 -8.084  -26.538 1.00 8.46  ? 173 PHE B CD1 1 
ATOM   1431 C CD2 . PHE A 1 167 ? -27.614 -7.317  -24.298 1.00 9.60  ? 173 PHE B CD2 1 
ATOM   1432 C CE1 . PHE A 1 167 ? -26.334 -8.011  -26.640 1.00 8.95  ? 173 PHE B CE1 1 
ATOM   1433 C CE2 . PHE A 1 167 ? -26.234 -7.197  -24.407 1.00 9.88  ? 173 PHE B CE2 1 
ATOM   1434 C CZ  . PHE A 1 167 ? -25.604 -7.532  -25.590 1.00 9.98  ? 173 PHE B CZ  1 
ATOM   1435 N N   . ASN A 1 168 ? -32.530 -9.216  -23.865 1.00 8.58  ? 174 ASN B N   1 
ATOM   1436 C CA  . ASN A 1 168 ? -33.993 -8.980  -23.823 1.00 8.25  ? 174 ASN B CA  1 
ATOM   1437 C C   . ASN A 1 168 ? -34.211 -7.845  -22.840 1.00 8.22  ? 174 ASN B C   1 
ATOM   1438 O O   . ASN A 1 168 ? -33.888 -8.001  -21.643 1.00 8.77  ? 174 ASN B O   1 
ATOM   1439 C CB  . ASN A 1 168 ? -34.775 -10.208 -23.388 1.00 9.01  ? 174 ASN B CB  1 
ATOM   1440 C CG  . ASN A 1 168 ? -36.269 -10.016 -23.495 1.00 9.86  ? 174 ASN B CG  1 
ATOM   1441 O OD1 . ASN A 1 168 ? -36.781 -8.949  -23.804 1.00 10.52 ? 174 ASN B OD1 1 
ATOM   1442 N ND2 . ASN A 1 168 ? -37.006 -11.072 -23.251 1.00 11.44 ? 174 ASN B ND2 1 
ATOM   1443 N N   . VAL A 1 169 ? -34.728 -6.691  -23.304 1.00 8.30  ? 175 VAL B N   1 
ATOM   1444 C CA  . VAL A 1 169 ? -34.993 -5.541  -22.403 1.00 9.04  ? 175 VAL B CA  1 
ATOM   1445 C C   . VAL A 1 169 ? -36.248 -5.767  -21.562 1.00 8.87  ? 175 VAL B C   1 
ATOM   1446 O O   . VAL A 1 169 ? -36.486 -4.949  -20.637 1.00 9.72  ? 175 VAL B O   1 
ATOM   1447 C CB  . VAL A 1 169 ? -35.085 -4.194  -23.155 1.00 9.47  ? 175 VAL B CB  1 
ATOM   1448 C CG1 . VAL A 1 169 ? -33.802 -3.830  -23.858 1.00 10.67 ? 175 VAL B CG1 1 
ATOM   1449 C CG2 . VAL A 1 169 ? -36.244 -4.159  -24.118 1.00 9.50  ? 175 VAL B CG2 1 
ATOM   1450 N N   . GLY A 1 170 ? -37.054 -6.773  -21.906 1.00 9.16  ? 176 GLY B N   1 
ATOM   1451 C CA  . GLY A 1 170 ? -38.338 -7.036  -21.218 1.00 9.68  ? 176 GLY B CA  1 
ATOM   1452 C C   . GLY A 1 170 ? -39.431 -6.075  -21.636 1.00 9.68  ? 176 GLY B C   1 
ATOM   1453 O O   . GLY A 1 170 ? -39.214 -5.041  -22.232 1.00 9.46  ? 176 GLY B O   1 
ATOM   1454 N N   . PHE A 1 171 ? -40.655 -6.541  -21.418 1.00 10.30 ? 177 PHE B N   1 
ATOM   1455 C CA  . PHE A 1 171 ? -41.865 -5.713  -21.592 1.00 9.91  ? 177 PHE B CA  1 
ATOM   1456 C C   . PHE A 1 171 ? -41.916 -4.626  -20.538 1.00 9.82  ? 177 PHE B C   1 
ATOM   1457 O O   . PHE A 1 171 ? -41.202 -4.665  -19.536 1.00 10.07 ? 177 PHE B O   1 
ATOM   1458 C CB  . PHE A 1 171 ? -43.138 -6.578  -21.632 1.00 11.41 ? 177 PHE B CB  1 
ATOM   1459 C CG  . PHE A 1 171 ? -43.250 -7.458  -22.857 1.00 11.92 ? 177 PHE B CG  1 
ATOM   1460 C CD1 . PHE A 1 171 ? -43.612 -6.936  -24.079 1.00 14.54 ? 177 PHE B CD1 1 
ATOM   1461 C CD2 . PHE A 1 171 ? -42.992 -8.809  -22.772 1.00 13.77 ? 177 PHE B CD2 1 
ATOM   1462 C CE1 . PHE A 1 171 ? -43.690 -7.756  -25.204 1.00 14.92 ? 177 PHE B CE1 1 
ATOM   1463 C CE2 . PHE A 1 171 ? -43.103 -9.619  -23.905 1.00 14.46 ? 177 PHE B CE2 1 
ATOM   1464 C CZ  . PHE A 1 171 ? -43.471 -9.092  -25.085 1.00 15.30 ? 177 PHE B CZ  1 
ATOM   1465 N N   . ASN A 1 172 ? -42.776 -3.654  -20.799 1.00 10.30 ? 178 ASN B N   1 
ATOM   1466 C CA  . ASN A 1 172 ? -42.985 -2.563  -19.825 1.00 10.03 ? 178 ASN B CA  1 
ATOM   1467 C C   . ASN A 1 172 ? -44.501 -2.402  -19.620 1.00 10.15 ? 178 ASN B C   1 
ATOM   1468 O O   . ASN A 1 172 ? -45.014 -1.274  -19.645 1.00 11.77 ? 178 ASN B O   1 
ATOM   1469 C CB  . ASN A 1 172 ? -42.326 -1.276  -20.279 1.00 10.11 ? 178 ASN B CB  1 
ATOM   1470 C CG  . ASN A 1 172 ? -42.364 -0.191  -19.244 1.00 10.66 ? 178 ASN B CG  1 
ATOM   1471 O OD1 . ASN A 1 172 ? -42.406 -0.441  -18.057 1.00 10.61 ? 178 ASN B OD1 1 
ATOM   1472 N ND2 . ASN A 1 172 ? -42.302 1.043   -19.708 1.00 12.41 ? 178 ASN B ND2 1 
ATOM   1473 N N   . TYR A 1 173 ? -45.171 -3.470  -19.270 1.00 10.53 ? 179 TYR B N   1 
ATOM   1474 C CA  . TYR A 1 173 ? -46.600 -3.406  -18.853 1.00 9.99  ? 179 TYR B CA  1 
ATOM   1475 C C   . TYR A 1 173 ? -46.761 -2.616  -17.568 1.00 10.44 ? 179 TYR B C   1 
ATOM   1476 O O   . TYR A 1 173 ? -47.836 -1.968  -17.357 1.00 11.85 ? 179 TYR B O   1 
ATOM   1477 C CB  . TYR A 1 173 ? -47.181 -4.810  -18.658 1.00 10.95 ? 179 TYR B CB  1 
ATOM   1478 C CG  . TYR A 1 173 ? -47.275 -5.651  -19.902 1.00 12.68 ? 179 TYR B CG  1 
ATOM   1479 C CD1 . TYR A 1 173 ? -48.279 -5.432  -20.835 1.00 16.18 ? 179 TYR B CD1 1 
ATOM   1480 C CD2 . TYR A 1 173 ? -46.415 -6.717  -20.096 1.00 14.45 ? 179 TYR B CD2 1 
ATOM   1481 C CE1 . TYR A 1 173 ? -48.333 -6.174  -22.005 1.00 17.21 ? 179 TYR B CE1 1 
ATOM   1482 C CE2 . TYR A 1 173 ? -46.482 -7.484  -21.264 1.00 14.44 ? 179 TYR B CE2 1 
ATOM   1483 C CZ  . TYR A 1 173 ? -47.429 -7.189  -22.206 1.00 16.67 ? 179 TYR B CZ  1 
ATOM   1484 O OH  . TYR A 1 173 ? -47.563 -7.942  -23.362 1.00 21.90 ? 179 TYR B OH  1 
ATOM   1485 N N   . SER A 1 174 ? -45.805 -2.628  -16.648 1.00 10.01 ? 180 SER B N   1 
ATOM   1486 C CA  . SER A 1 174 ? -45.896 -2.025  -15.297 1.00 10.99 ? 180 SER B CA  1 
ATOM   1487 C C   . SER A 1 174 ? -45.634 -0.514  -15.331 1.00 11.31 ? 180 SER B C   1 
ATOM   1488 O O   . SER A 1 174 ? -45.967 0.191   -14.349 1.00 12.98 ? 180 SER B O   1 
ATOM   1489 C CB  . SER A 1 174 ? -44.932 -2.646  -14.349 1.00 11.40 ? 180 SER B CB  1 
ATOM   1490 O OG  . SER A 1 174 ? -43.589 -2.340  -14.778 1.00 11.53 ? 180 SER B OG  1 
ATOM   1491 N N   . GLY A 1 175 ? -44.997 0.011   -16.369 1.00 10.09 ? 181 GLY B N   1 
ATOM   1492 C CA  . GLY A 1 175 ? -44.472 1.384   -16.323 1.00 10.28 ? 181 GLY B CA  1 
ATOM   1493 C C   . GLY A 1 175 ? -43.215 1.536   -15.488 1.00 11.28 ? 181 GLY B C   1 
ATOM   1494 O O   . GLY A 1 175 ? -42.728 2.665   -15.366 1.00 13.22 ? 181 GLY B O   1 
ATOM   1495 N N   . GLY A 1 176 ? -42.661 0.461   -14.932 1.00 10.53 ? 182 GLY B N   1 
ATOM   1496 C CA  . GLY A 1 176 ? -41.444 0.477   -14.108 1.00 10.63 ? 182 GLY B CA  1 
ATOM   1497 C C   . GLY A 1 176 ? -40.243 -0.154  -14.791 1.00 10.81 ? 182 GLY B C   1 
ATOM   1498 O O   . GLY A 1 176 ? -39.181 -0.224  -14.132 1.00 12.68 ? 182 GLY B O   1 
ATOM   1499 N N   . ASN A 1 177 ? -40.355 -0.554  -16.036 1.00 9.46  ? 183 ASN B N   1 
ATOM   1500 C CA  . ASN A 1 177 ? -39.269 -1.275  -16.735 1.00 9.13  ? 183 ASN B CA  1 
ATOM   1501 C C   . ASN A 1 177 ? -38.820 -0.561  -18.004 1.00 9.45  ? 183 ASN B C   1 
ATOM   1502 O O   . ASN A 1 177 ? -38.261 -1.233  -18.884 1.00 10.98 ? 183 ASN B O   1 
ATOM   1503 C CB  . ASN A 1 177 ? -39.664 -2.716  -17.041 1.00 8.86  ? 183 ASN B CB  1 
ATOM   1504 C CG  . ASN A 1 177 ? -38.446 -3.591  -17.323 1.00 8.88  ? 183 ASN B CG  1 
ATOM   1505 O OD1 . ASN A 1 177 ? -37.395 -3.389  -16.701 1.00 9.54  ? 183 ASN B OD1 1 
ATOM   1506 N ND2 . ASN A 1 177 ? -38.599 -4.489  -18.286 1.00 9.09  ? 183 ASN B ND2 1 
ATOM   1507 N N   . ALA A 1 178 ? -38.921 0.765   -18.086 1.00 9.82  ? 184 ALA B N   1 
ATOM   1508 C CA  . ALA A 1 178 ? -38.538 1.486   -19.316 1.00 11.37 ? 184 ALA B CA  1 
ATOM   1509 C C   . ALA A 1 178 ? -37.024 1.638   -19.469 1.00 11.26 ? 184 ALA B C   1 
ATOM   1510 O O   . ALA A 1 178 ? -36.577 1.916   -20.582 1.00 12.86 ? 184 ALA B O   1 
ATOM   1511 C CB  . ALA A 1 178 ? -39.172 2.893   -19.316 1.00 12.10 ? 184 ALA B CB  1 
ATOM   1512 N N   . ALA A 1 179 ? -36.268 1.496   -18.402 1.00 10.15 ? 185 ALA B N   1 
ATOM   1513 C CA  . ALA A 1 179 ? -34.813 1.780   -18.459 1.00 10.54 ? 185 ALA B CA  1 
ATOM   1514 C C   . ALA A 1 179 ? -34.110 0.893   -19.495 1.00 10.61 ? 185 ALA B C   1 
ATOM   1515 O O   . ALA A 1 179 ? -34.481 -0.267  -19.747 1.00 10.30 ? 185 ALA B O   1 
ATOM   1516 C CB  . ALA A 1 179 ? -34.187 1.622   -17.094 1.00 11.40 ? 185 ALA B CB  1 
ATOM   1517 N N   . PRO A 1 180 ? -33.009 1.385   -20.080 1.00 10.40 ? 186 PRO B N   1 
ATOM   1518 C CA  . PRO A 1 180 ? -32.256 0.618   -21.076 1.00 10.57 ? 186 PRO B CA  1 
ATOM   1519 C C   . PRO A 1 180 ? -31.348 -0.484  -20.476 1.00 9.46  ? 186 PRO B C   1 
ATOM   1520 O O   . PRO A 1 180 ? -30.996 -0.436  -19.321 1.00 10.64 ? 186 PRO B O   1 
ATOM   1521 C CB  . PRO A 1 180 ? -31.360 1.700   -21.728 1.00 11.73 ? 186 PRO B CB  1 
ATOM   1522 C CG  . PRO A 1 180 ? -31.127 2.679   -20.630 1.00 13.47 ? 186 PRO B CG  1 
ATOM   1523 C CD  . PRO A 1 180 ? -32.466 2.747   -19.902 1.00 12.72 ? 186 PRO B CD  1 
ATOM   1524 N N   . LEU A 1 181 ? -30.972 -1.420  -21.344 1.00 9.88  ? 187 LEU B N   1 
ATOM   1525 C CA  . LEU A 1 181 ? -29.720 -2.193  -21.170 1.00 9.80  ? 187 LEU B CA  1 
ATOM   1526 C C   . LEU A 1 181 ? -28.590 -1.395  -21.805 1.00 9.68  ? 187 LEU B C   1 
ATOM   1527 O O   . LEU A 1 181 ? -28.745 -0.894  -22.939 1.00 12.19 ? 187 LEU B O   1 
ATOM   1528 C CB  . LEU A 1 181 ? -29.857 -3.556  -21.821 1.00 9.91  ? 187 LEU B CB  1 
ATOM   1529 C CG  . LEU A 1 181 ? -30.879 -4.507  -21.181 1.00 10.41 ? 187 LEU B CG  1 
ATOM   1530 C CD1 . LEU A 1 181 ? -31.054 -5.782  -21.995 1.00 11.13 ? 187 LEU B CD1 1 
ATOM   1531 C CD2 . LEU A 1 181 ? -30.521 -4.892  -19.764 1.00 12.09 ? 187 LEU B CD2 1 
ATOM   1532 N N   . LYS A 1 182 ? -27.447 -1.321  -21.135 1.00 10.28 ? 188 LYS B N   1 
ATOM   1533 C CA  . LYS A 1 182 ? -26.296 -0.560  -21.681 1.00 11.25 ? 188 LYS B CA  1 
ATOM   1534 C C   . LYS A 1 182 ? -25.059 -1.443  -21.642 1.00 11.66 ? 188 LYS B C   1 
ATOM   1535 O O   . LYS A 1 182 ? -24.711 -1.966  -20.556 1.00 11.92 ? 188 LYS B O   1 
ATOM   1536 C CB  . LYS A 1 182 ? -26.019 0.744   -20.925 1.00 12.55 ? 188 LYS B CB  1 
ATOM   1537 C CG  . LYS A 1 182 ? -27.192 1.686   -20.720 1.00 15.53 ? 188 LYS B CG  1 
ATOM   1538 C CD  . LYS A 1 182 ? -26.763 3.000   -20.055 1.00 18.89 ? 188 LYS B CD  1 
ATOM   1539 C CE  . LYS A 1 182 ? -27.896 3.894   -19.616 1.00 22.54 ? 188 LYS B CE  1 
ATOM   1540 N NZ  . LYS A 1 182 ? -27.359 5.037   -18.830 1.00 28.80 ? 188 LYS B NZ  1 
ATOM   1541 N N   . LEU A 1 183 ? -24.317 -1.518  -22.720 1.00 11.26 ? 189 LEU B N   1 
ATOM   1542 C CA  . LEU A 1 183 ? -22.978 -2.171  -22.725 1.00 11.48 ? 189 LEU B CA  1 
ATOM   1543 C C   . LEU A 1 183 ? -21.988 -1.229  -22.068 1.00 12.65 ? 189 LEU B C   1 
ATOM   1544 O O   . LEU A 1 183 ? -21.823 -0.076  -22.580 1.00 15.99 ? 189 LEU B O   1 
ATOM   1545 C CB  . LEU A 1 183 ? -22.621 -2.536  -24.168 1.00 12.01 ? 189 LEU B CB  1 
ATOM   1546 C CG  . LEU A 1 183 ? -23.362 -3.789  -24.643 1.00 12.97 ? 189 LEU B CG  1 
ATOM   1547 C CD1 . LEU A 1 183 ? -23.540 -3.891  -26.144 1.00 16.44 ? 189 LEU B CD1 1 
ATOM   1548 C CD2 . LEU A 1 183 ? -22.721 -5.061  -24.073 1.00 12.06 ? 189 LEU B CD2 1 
ATOM   1549 N N   . CYS A 1 184 ? -21.331 -1.682  -21.012 1.00 14.10 ? 190 CYS B N   1 
ATOM   1550 C CA  . CYS A 1 184 ? -20.427 -0.848  -20.170 1.00 16.82 ? 190 CYS B CA  1 
ATOM   1551 C C   . CYS A 1 184 ? -19.065 -0.769  -20.810 1.00 18.48 ? 190 CYS B C   1 
ATOM   1552 O O   . CYS A 1 184 ? -18.581 -1.728  -21.372 1.00 19.73 ? 190 CYS B O   1 
ATOM   1553 C CB  . CYS A 1 184 ? -20.133 -1.528  -18.850 1.00 18.89 ? 190 CYS B CB  1 
ATOM   1554 S SG  . CYS A 1 184 ? -21.575 -2.022  -17.926 1.00 19.61 ? 190 CYS B SG  1 
ATOM   1555 N N   . PRO A 1 185 ? -18.372 0.379   -20.660 1.00 23.08 ? 191 PRO B N   1 
ATOM   1556 C CA  . PRO A 1 185 ? -17.052 0.543   -21.234 1.00 28.34 ? 191 PRO B CA  1 
ATOM   1557 C C   . PRO A 1 185 ? -16.074 -0.378  -20.501 1.00 27.88 ? 191 PRO B C   1 
ATOM   1558 O O   . PRO A 1 185 ? -16.236 -0.619  -19.298 1.00 28.04 ? 191 PRO B O   1 
ATOM   1559 C CB  . PRO A 1 185 ? -16.795 2.054   -21.068 1.00 27.89 ? 191 PRO B CB  1 
ATOM   1560 C CG  . PRO A 1 185 ? -17.628 2.456   -19.896 1.00 28.37 ? 191 PRO B CG  1 
ATOM   1561 C CD  . PRO A 1 185 ? -18.871 1.596   -19.995 1.00 26.00 ? 191 PRO B CD  1 
ATOM   1562 N N   . LEU A 1 186 ? -15.123 -0.882  -21.287 1.00 33.82 ? 192 LEU B N   1 
ATOM   1563 C CA  . LEU A 1 186 ? -13.844 -1.536  -20.911 1.00 37.58 ? 192 LEU B CA  1 
ATOM   1564 C C   . LEU A 1 186 ? -13.020 -0.614  -20.012 1.00 42.54 ? 192 LEU B C   1 
ATOM   1565 O O   . LEU A 1 186 ? -12.195 -1.159  -19.272 1.00 48.31 ? 192 LEU B O   1 
ATOM   1566 C CB  . LEU A 1 186 ? -13.069 -1.826  -22.201 1.00 36.94 ? 192 LEU B CB  1 
HETATM 1567 C C1  . EDO B 2 .   ? -45.578 -3.451  -22.915 1.00 24.12 ? 201 EDO B C1  1 
HETATM 1568 O O1  . EDO B 2 .   ? -44.208 -3.196  -23.154 1.00 18.57 ? 201 EDO B O1  1 
HETATM 1569 C C2  . EDO B 2 .   ? -46.380 -3.907  -24.060 1.00 31.72 ? 201 EDO B C2  1 
HETATM 1570 O O2  . EDO B 2 .   ? -46.081 -3.185  -25.230 1.00 35.84 ? 201 EDO B O2  1 
HETATM 1571 N N1  . LL0 C 3 .   ? -47.370 -5.966  -26.468 0.85 61.87 ? 202 LL0 B N1  1 
HETATM 1572 C C4  . LL0 C 3 .   ? -43.336 -7.849  -29.281 0.85 51.91 ? 202 LL0 B C4  1 
HETATM 1573 C C5  . LL0 C 3 .   ? -44.516 -8.488  -28.930 0.85 52.60 ? 202 LL0 B C5  1 
HETATM 1574 C C6  . LL0 C 3 .   ? -45.605 -7.748  -28.486 0.85 55.58 ? 202 LL0 B C6  1 
HETATM 1575 C C7  . LL0 C 3 .   ? -47.077 -9.577  -27.943 0.85 59.81 ? 202 LL0 B C7  1 
HETATM 1576 S S1  . LL0 C 3 .   ? -46.854 -5.372  -27.866 0.85 60.89 ? 202 LL0 B S1  1 
HETATM 1577 O O1  . LL0 C 3 .   ? -47.912 -5.554  -28.816 0.85 60.91 ? 202 LL0 B O1  1 
HETATM 1578 O O2  . LL0 C 3 .   ? -46.368 -4.047  -27.609 0.85 61.27 ? 202 LL0 B O2  1 
HETATM 1579 C C1  . LL0 C 3 .   ? -45.484 -6.345  -28.415 0.85 54.42 ? 202 LL0 B C1  1 
HETATM 1580 C C2  . LL0 C 3 .   ? -44.297 -5.718  -28.772 0.85 51.36 ? 202 LL0 B C2  1 
HETATM 1581 C C3  . LL0 C 3 .   ? -43.224 -6.472  -29.205 0.85 50.87 ? 202 LL0 B C3  1 
HETATM 1582 O O3  . LL0 C 3 .   ? -46.833 -8.259  -28.113 0.85 55.33 ? 202 LL0 B O3  1 
HETATM 1583 F F1  . LL0 C 3 .   ? -46.658 -10.253 -29.024 0.85 59.93 ? 202 LL0 B F1  1 
HETATM 1584 F F2  . LL0 C 3 .   ? -46.329 -10.029 -26.928 0.85 60.43 ? 202 LL0 B F2  1 
HETATM 1585 C C1  . EDO D 2 .   ? -50.427 -16.957 -33.080 1.00 37.77 ? 203 EDO B C1  1 
HETATM 1586 O O1  . EDO D 2 .   ? -49.119 -16.417 -33.026 1.00 31.92 ? 203 EDO B O1  1 
HETATM 1587 C C2  . EDO D 2 .   ? -51.046 -17.080 -31.748 1.00 38.72 ? 203 EDO B C2  1 
HETATM 1588 O O2  . EDO D 2 .   ? -51.080 -15.848 -31.076 1.00 44.96 ? 203 EDO B O2  1 
HETATM 1589 S S   . SO4 E 4 .   ? -40.396 -24.526 -26.271 1.00 35.23 ? 204 SO4 B S   1 
HETATM 1590 O O1  . SO4 E 4 .   ? -39.697 -23.556 -27.040 1.00 23.27 ? 204 SO4 B O1  1 
HETATM 1591 O O2  . SO4 E 4 .   ? -41.335 -25.229 -27.100 1.00 42.35 ? 204 SO4 B O2  1 
HETATM 1592 O O3  . SO4 E 4 .   ? -39.423 -25.453 -25.729 1.00 41.87 ? 204 SO4 B O3  1 
HETATM 1593 O O4  . SO4 E 4 .   ? -41.104 -23.900 -25.168 1.00 37.55 ? 204 SO4 B O4  1 
HETATM 1594 O O   . HOH F 5 .   ? -38.628 -15.291 -11.530 1.00 29.97 ? 301 HOH B O   1 
HETATM 1595 O O   . HOH F 5 .   ? -46.999 -16.681 -32.001 1.00 22.28 ? 302 HOH B O   1 
HETATM 1596 O O   . HOH F 5 .   ? -45.598 3.684   -34.036 1.00 17.23 ? 303 HOH B O   1 
HETATM 1597 O O   . HOH F 5 .   ? -26.881 -28.431 -27.777 1.00 21.63 ? 304 HOH B O   1 
HETATM 1598 O O   . HOH F 5 .   ? -22.684 -1.744  -9.654  1.00 24.74 ? 305 HOH B O   1 
HETATM 1599 O O   . HOH F 5 .   ? -29.446 -12.402 -37.681 1.00 21.89 ? 306 HOH B O   1 
HETATM 1600 O O   . HOH F 5 .   ? -32.883 1.146   -33.464 1.00 19.14 ? 307 HOH B O   1 
HETATM 1601 O O   . HOH F 5 .   ? -18.625 -21.931 -35.748 1.00 15.37 ? 308 HOH B O   1 
HETATM 1602 O O   . HOH F 5 .   ? -38.472 0.678   -11.832 1.00 31.87 ? 309 HOH B O   1 
HETATM 1603 O O   . HOH F 5 .   ? -13.423 -23.492 -31.556 1.00 13.27 ? 310 HOH B O   1 
HETATM 1604 O O   . HOH F 5 .   ? -36.210 5.530   -15.825 1.00 21.97 ? 311 HOH B O   1 
HETATM 1605 O O   . HOH F 5 .   ? -45.076 7.404   -24.684 1.00 34.28 ? 312 HOH B O   1 
HETATM 1606 O O   . HOH F 5 .   ? -40.005 -1.057  -9.697  1.00 26.45 ? 313 HOH B O   1 
HETATM 1607 O O   . HOH F 5 .   ? -37.960 2.860   -22.716 1.00 17.23 ? 314 HOH B O   1 
HETATM 1608 O O   . HOH F 5 .   ? -24.559 -30.898 -21.916 1.00 29.93 ? 315 HOH B O   1 
HETATM 1609 O O   . HOH F 5 .   ? -36.779 -16.228 -39.355 1.00 25.42 ? 316 HOH B O   1 
HETATM 1610 O O   . HOH F 5 .   ? -45.456 0.113   -11.760 1.00 17.82 ? 317 HOH B O   1 
HETATM 1611 O O   . HOH F 5 .   ? -12.647 -21.266 -18.601 1.00 26.43 ? 318 HOH B O   1 
HETATM 1612 O O   . HOH F 5 .   ? -35.639 -19.133 -30.442 1.00 28.49 ? 319 HOH B O   1 
HETATM 1613 O O   . HOH F 5 .   ? -15.547 -5.404  -13.514 1.00 26.94 ? 320 HOH B O   1 
HETATM 1614 O O   . HOH F 5 .   ? -26.098 3.512   -35.192 1.00 29.20 ? 321 HOH B O   1 
HETATM 1615 O O   . HOH F 5 .   ? -35.924 -22.414 -19.555 1.00 23.40 ? 322 HOH B O   1 
HETATM 1616 O O   . HOH F 5 .   ? -19.243 -29.695 -15.669 1.00 27.86 ? 323 HOH B O   1 
HETATM 1617 O O   . HOH F 5 .   ? -47.116 1.292   -25.525 1.00 29.13 ? 324 HOH B O   1 
HETATM 1618 O O   . HOH F 5 .   ? -30.727 -6.651  -11.251 1.00 12.72 ? 325 HOH B O   1 
HETATM 1619 O O   . HOH F 5 .   ? -42.898 -15.333 -10.128 1.00 20.69 ? 326 HOH B O   1 
HETATM 1620 O O   . HOH F 5 .   ? -23.227 4.383   -24.598 1.00 22.06 ? 327 HOH B O   1 
HETATM 1621 O O   . HOH F 5 .   ? -49.658 -1.786  -19.338 1.00 23.57 ? 328 HOH B O   1 
HETATM 1622 O O   . HOH F 5 .   ? -17.802 -19.843 -37.429 1.00 24.26 ? 329 HOH B O   1 
HETATM 1623 O O   . HOH F 5 .   ? -16.104 -19.579 -15.625 1.00 22.20 ? 330 HOH B O   1 
HETATM 1624 O O   . HOH F 5 .   ? -36.576 -23.063 -30.691 1.00 30.66 ? 331 HOH B O   1 
HETATM 1625 O O   . HOH F 5 .   ? -36.700 -25.991 -23.707 1.00 31.39 ? 332 HOH B O   1 
HETATM 1626 O O   . HOH F 5 .   ? -32.781 -18.214 -37.180 1.00 31.71 ? 333 HOH B O   1 
HETATM 1627 O O   . HOH F 5 .   ? -17.528 -21.283 -12.371 1.00 16.14 ? 334 HOH B O   1 
HETATM 1628 O O   . HOH F 5 .   ? -30.791 -20.261 -21.307 1.00 11.05 ? 335 HOH B O   1 
HETATM 1629 O O   . HOH F 5 .   ? -37.198 -25.605 -11.366 1.00 33.83 ? 336 HOH B O   1 
HETATM 1630 O O   . HOH F 5 .   ? -8.948  -13.502 -25.237 1.00 29.78 ? 337 HOH B O   1 
HETATM 1631 O O   . HOH F 5 .   ? -25.807 -22.676 -35.566 1.00 24.07 ? 338 HOH B O   1 
HETATM 1632 O O   . HOH F 5 .   ? -23.771 1.228   -10.714 1.00 31.29 ? 339 HOH B O   1 
HETATM 1633 O O   . HOH F 5 .   ? -10.956 -21.100 -25.108 1.00 26.98 ? 340 HOH B O   1 
HETATM 1634 O O   . HOH F 5 .   ? -38.502 -7.610  -10.704 1.00 13.27 ? 341 HOH B O   1 
HETATM 1635 O O   . HOH F 5 .   ? -37.927 -14.344 -21.430 1.00 28.79 ? 342 HOH B O   1 
HETATM 1636 O O   . HOH F 5 .   ? -38.725 -2.444  -21.288 1.00 12.45 ? 343 HOH B O   1 
HETATM 1637 O O   . HOH F 5 .   ? -30.190 -23.889 -33.935 1.00 22.59 ? 344 HOH B O   1 
HETATM 1638 O O   . HOH F 5 .   ? -40.841 -9.303  -36.676 1.00 24.01 ? 345 HOH B O   1 
HETATM 1639 O O   . HOH F 5 .   ? -18.443 -4.591  -24.641 1.00 15.50 ? 346 HOH B O   1 
HETATM 1640 O O   . HOH F 5 .   ? -13.558 -21.020 -35.176 1.00 29.45 ? 347 HOH B O   1 
HETATM 1641 O O   . HOH F 5 .   ? -26.521 -25.673 -16.386 1.00 15.49 ? 348 HOH B O   1 
HETATM 1642 O O   . HOH F 5 .   ? -30.665 1.236   -16.999 1.00 23.41 ? 349 HOH B O   1 
HETATM 1643 O O   . HOH F 5 .   ? -16.625 -5.575  -9.257  1.00 29.87 ? 350 HOH B O   1 
HETATM 1644 O O   . HOH F 5 .   ? -17.565 -27.614 -19.637 1.00 16.90 ? 351 HOH B O   1 
HETATM 1645 O O   . HOH F 5 .   ? -38.373 3.817   -42.123 1.00 24.83 ? 352 HOH B O   1 
HETATM 1646 O O   . HOH F 5 .   ? -19.314 -4.307  -22.023 1.00 13.33 ? 353 HOH B O   1 
HETATM 1647 O O   . HOH F 5 .   ? -45.073 -12.304 -26.432 1.00 30.73 ? 354 HOH B O   1 
HETATM 1648 O O   . HOH F 5 .   ? -36.164 -1.761  -33.732 1.00 17.27 ? 355 HOH B O   1 
HETATM 1649 O O   . HOH F 5 .   ? -28.361 -21.600 -8.934  1.00 16.35 ? 356 HOH B O   1 
HETATM 1650 O O   . HOH F 5 .   ? -34.074 -21.946 -31.312 1.00 17.18 ? 357 HOH B O   1 
HETATM 1651 O O   . HOH F 5 .   ? -25.637 -14.225 -3.111  1.00 29.21 ? 358 HOH B O   1 
HETATM 1652 O O   . HOH F 5 .   ? -9.413  -18.594 -30.144 1.00 40.89 ? 359 HOH B O   1 
HETATM 1653 O O   . HOH F 5 .   ? -40.196 -14.305 -31.335 1.00 13.49 ? 360 HOH B O   1 
HETATM 1654 O O   . HOH F 5 .   ? -42.476 -5.740  -12.224 1.00 16.99 ? 361 HOH B O   1 
HETATM 1655 O O   . HOH F 5 .   ? -40.687 -14.481 -8.479  1.00 27.11 ? 362 HOH B O   1 
HETATM 1656 O O   . HOH F 5 .   ? -26.459 1.985   -10.934 1.00 25.70 ? 363 HOH B O   1 
HETATM 1657 O O   . HOH F 5 .   ? -35.528 -17.085 -8.125  1.00 34.62 ? 364 HOH B O   1 
HETATM 1658 O O   . HOH F 5 .   ? -26.688 -17.580 -7.731  1.00 14.40 ? 365 HOH B O   1 
HETATM 1659 O O   . HOH F 5 .   ? -27.748 -27.454 -25.775 1.00 25.85 ? 366 HOH B O   1 
HETATM 1660 O O   . HOH F 5 .   ? -20.905 -16.321 -5.465  1.00 16.32 ? 367 HOH B O   1 
HETATM 1661 O O   . HOH F 5 .   ? -42.134 -3.913  -39.372 1.00 19.14 ? 368 HOH B O   1 
HETATM 1662 O O   . HOH F 5 .   ? -32.205 -4.935  -12.882 1.00 11.54 ? 369 HOH B O   1 
HETATM 1663 O O   . HOH F 5 .   ? -33.374 -1.842  -38.404 1.00 24.98 ? 370 HOH B O   1 
HETATM 1664 O O   . HOH F 5 .   ? -36.431 -0.956  -22.039 1.00 12.45 ? 371 HOH B O   1 
HETATM 1665 O O   . HOH F 5 .   ? -27.128 -20.226 -6.980  1.00 16.17 ? 372 HOH B O   1 
HETATM 1666 O O   . HOH F 5 .   ? -19.708 1.843   -30.479 1.00 30.30 ? 373 HOH B O   1 
HETATM 1667 O O   . HOH F 5 .   ? -36.948 0.842   -15.499 1.00 15.23 ? 374 HOH B O   1 
HETATM 1668 O O   . HOH F 5 .   ? -23.245 2.359   -22.909 1.00 25.60 ? 375 HOH B O   1 
HETATM 1669 O O   . HOH F 5 .   ? -40.956 -5.971  -37.990 1.00 24.84 ? 376 HOH B O   1 
HETATM 1670 O O   . HOH F 5 .   ? -19.026 -29.071 -23.383 1.00 23.03 ? 377 HOH B O   1 
HETATM 1671 O O   . HOH F 5 .   ? -41.660 1.549   -22.443 1.00 28.82 ? 378 HOH B O   1 
HETATM 1672 O O   . HOH F 5 .   ? -23.681 -20.959 -38.853 1.00 20.43 ? 379 HOH B O   1 
HETATM 1673 O O   . HOH F 5 .   ? -43.741 -0.624  -24.314 1.00 25.04 ? 380 HOH B O   1 
HETATM 1674 O O   . HOH F 5 .   ? -45.811 -4.276  -33.851 1.00 19.11 ? 381 HOH B O   1 
HETATM 1675 O O   . HOH F 5 .   ? -41.552 -9.740  -43.727 1.00 31.18 ? 382 HOH B O   1 
HETATM 1676 O O   . HOH F 5 .   ? -10.257 -23.545 -21.853 1.00 26.94 ? 383 HOH B O   1 
HETATM 1677 O O   . HOH F 5 .   ? -23.951 -12.345 -6.526  1.00 16.55 ? 384 HOH B O   1 
HETATM 1678 O O   . HOH F 5 .   ? -45.638 -14.740 -27.505 1.00 37.85 ? 385 HOH B O   1 
HETATM 1679 O O   . HOH F 5 .   ? -35.806 -3.526  -9.970  1.00 45.52 ? 386 HOH B O   1 
HETATM 1680 O O   . HOH F 5 .   ? -35.423 -4.567  -42.094 1.00 20.32 ? 387 HOH B O   1 
HETATM 1681 O O   . HOH F 5 .   ? -45.599 -19.629 -31.582 1.00 24.81 ? 388 HOH B O   1 
HETATM 1682 O O   . HOH F 5 .   ? -33.376 -14.936 -6.977  1.00 20.35 ? 389 HOH B O   1 
HETATM 1683 O O   . HOH F 5 .   ? -17.858 -4.286  -5.893  1.00 35.84 ? 390 HOH B O   1 
HETATM 1684 O O   . HOH F 5 .   ? -21.015 -5.813  -2.124  1.00 44.01 ? 391 HOH B O   1 
HETATM 1685 O O   . HOH F 5 .   ? -14.934 -19.731 -37.501 1.00 23.22 ? 392 HOH B O   1 
HETATM 1686 O O   . HOH F 5 .   ? -18.270 -17.255 -36.289 1.00 24.71 ? 393 HOH B O   1 
HETATM 1687 O O   . HOH F 5 .   ? -36.463 -0.223  -42.229 1.00 33.26 ? 394 HOH B O   1 
HETATM 1688 O O   . HOH F 5 .   ? -25.245 -10.419 -23.520 1.00 11.08 ? 395 HOH B O   1 
HETATM 1689 O O   . HOH F 5 .   ? -12.688 -18.483 -34.700 1.00 33.23 ? 396 HOH B O   1 
HETATM 1690 O O   . HOH F 5 .   ? -40.697 6.318   -33.069 1.00 24.95 ? 397 HOH B O   1 
HETATM 1691 O O   . HOH F 5 .   ? -24.775 -14.981 -6.809  1.00 14.26 ? 398 HOH B O   1 
HETATM 1692 O O   . HOH F 5 .   ? -9.342  -20.749 -28.824 1.00 28.29 ? 399 HOH B O   1 
HETATM 1693 O O   . HOH F 5 .   ? -25.681 -26.961 -23.777 1.00 15.81 ? 400 HOH B O   1 
HETATM 1694 O O   . HOH F 5 .   ? -39.846 6.382   -26.118 1.00 37.31 ? 401 HOH B O   1 
HETATM 1695 O O   . HOH F 5 .   ? -39.877 2.738   -16.037 1.00 14.98 ? 402 HOH B O   1 
HETATM 1696 O O   . HOH F 5 .   ? -41.411 -8.463  -13.266 1.00 17.51 ? 403 HOH B O   1 
HETATM 1697 O O   . HOH F 5 .   ? -31.417 3.481   -26.750 1.00 22.57 ? 404 HOH B O   1 
HETATM 1698 O O   . HOH F 5 .   ? -18.015 -16.038 -6.113  1.00 21.01 ? 405 HOH B O   1 
HETATM 1699 O O   . HOH F 5 .   ? -9.272  -15.956 -26.490 1.00 25.36 ? 406 HOH B O   1 
HETATM 1700 O O   . HOH F 5 .   ? -13.201 -6.215  -29.146 1.00 28.81 ? 407 HOH B O   1 
HETATM 1701 O O   . HOH F 5 .   ? -41.262 5.327   -28.295 1.00 26.12 ? 408 HOH B O   1 
HETATM 1702 O O   . HOH F 5 .   ? -34.034 -21.850 -36.520 1.00 40.94 ? 409 HOH B O   1 
HETATM 1703 O O   . HOH F 5 .   ? -14.333 -16.444 -32.999 1.00 26.12 ? 410 HOH B O   1 
HETATM 1704 O O   . HOH F 5 .   ? -52.398 -14.129 -29.035 1.00 43.04 ? 411 HOH B O   1 
HETATM 1705 O O   . HOH F 5 .   ? -24.798 -11.056 -4.154  1.00 22.26 ? 412 HOH B O   1 
HETATM 1706 O O   . HOH F 5 .   ? -28.716 7.934   -29.945 1.00 27.45 ? 413 HOH B O   1 
HETATM 1707 O O   . HOH F 5 .   ? -42.305 -5.020  -43.665 1.00 19.80 ? 414 HOH B O   1 
HETATM 1708 O O   . HOH F 5 .   ? -30.936 4.142   -24.270 1.00 22.85 ? 415 HOH B O   1 
HETATM 1709 O O   . HOH F 5 .   ? -16.016 -14.680 -8.573  1.00 30.35 ? 416 HOH B O   1 
HETATM 1710 O O   . HOH F 5 .   ? -39.903 -11.578 -22.644 1.00 30.75 ? 417 HOH B O   1 
HETATM 1711 O O   . HOH F 5 .   ? -17.836 -11.100 -35.553 1.00 24.25 ? 418 HOH B O   1 
HETATM 1712 O O   . HOH F 5 .   ? -38.660 3.919   -13.681 1.00 31.79 ? 419 HOH B O   1 
HETATM 1713 O O   . HOH F 5 .   ? -40.298 -7.390  -34.747 1.00 20.00 ? 420 HOH B O   1 
HETATM 1714 O O   . HOH F 5 .   ? -15.887 -12.087 -5.481  1.00 40.94 ? 421 HOH B O   1 
HETATM 1715 O O   . HOH F 5 .   ? -43.266 3.801   -18.814 1.00 19.06 ? 422 HOH B O   1 
HETATM 1716 O O   . HOH F 5 .   ? -41.016 -8.754  -19.341 1.00 13.73 ? 423 HOH B O   1 
HETATM 1717 O O   . HOH F 5 .   ? -24.248 -4.279  -36.916 1.00 33.16 ? 424 HOH B O   1 
HETATM 1718 O O   . HOH F 5 .   ? -34.270 -7.141  -7.847  1.00 27.46 ? 425 HOH B O   1 
HETATM 1719 O O   . HOH F 5 .   ? -25.020 7.181   -28.832 1.00 25.18 ? 426 HOH B O   1 
HETATM 1720 O O   . HOH F 5 .   ? -19.850 2.299   -23.888 1.00 36.17 ? 427 HOH B O   1 
HETATM 1721 O O   . HOH F 5 .   ? -34.035 5.312   -17.556 1.00 40.24 ? 428 HOH B O   1 
HETATM 1722 O O   . HOH F 5 .   ? -34.554 -8.984  -6.003  1.00 39.73 ? 429 HOH B O   1 
HETATM 1723 O O   . HOH F 5 .   ? -15.990 -7.412  -11.232 1.00 26.40 ? 430 HOH B O   1 
HETATM 1724 O O   . HOH F 5 .   ? -30.811 -17.372 -42.634 1.00 31.59 ? 431 HOH B O   1 
HETATM 1725 O O   . HOH F 5 .   ? -47.653 0.000   -32.782 0.50 22.52 ? 432 HOH B O   1 
HETATM 1726 O O   . HOH F 5 .   ? -32.748 -23.584 -33.347 1.00 32.73 ? 433 HOH B O   1 
HETATM 1727 O O   . HOH F 5 .   ? -8.456  -22.941 -30.304 1.00 25.77 ? 434 HOH B O   1 
HETATM 1728 O O   . HOH F 5 .   ? -36.620 -6.571  -8.900  1.00 29.11 ? 435 HOH B O   1 
HETATM 1729 O O   . HOH F 5 .   ? -26.219 -28.244 -21.402 1.00 32.09 ? 436 HOH B O   1 
HETATM 1730 O O   . HOH F 5 .   ? -21.555 6.886   -32.265 1.00 26.67 ? 437 HOH B O   1 
HETATM 1731 O O   . HOH F 5 .   ? -40.139 5.133   -22.052 1.00 28.00 ? 438 HOH B O   1 
HETATM 1732 O O   . HOH F 5 .   ? -22.737 3.401   -20.562 1.00 36.01 ? 439 HOH B O   1 
HETATM 1733 O O   . HOH F 5 .   ? -38.689 -16.500 -40.896 1.00 34.68 ? 440 HOH B O   1 
HETATM 1734 O O   . HOH F 5 .   ? -15.881 -22.259 -14.493 1.00 26.74 ? 441 HOH B O   1 
HETATM 1735 O O   . HOH F 5 .   ? -36.663 2.184   -43.253 1.00 36.75 ? 442 HOH B O   1 
HETATM 1736 O O   . HOH F 5 .   ? -28.352 -27.708 -16.837 1.00 22.26 ? 443 HOH B O   1 
HETATM 1737 O O   . HOH F 5 .   ? -26.381 -31.135 -23.903 1.00 25.59 ? 444 HOH B O   1 
HETATM 1738 O O   . HOH F 5 .   ? -15.988 -26.921 -17.139 1.00 33.88 ? 445 HOH B O   1 
HETATM 1739 O O   . HOH F 5 .   ? -42.132 -12.923 -22.312 1.00 28.14 ? 446 HOH B O   1 
# 
