data_7HO1
# 
_entry.id   7HO1 
# 
_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   7HO1         pdb_00007ho1 10.2210/pdb7ho1/pdb 
WWPDB D_1001407715 ?            ?                   
# 
_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                        7HO1 
_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           N 
_pdbx_database_status.methods_development_category    ? 
# 
_pdbx_contact_author.id                 1 
_pdbx_contact_author.email              knapp@pharmchem.uni-frankfurt.de 
_pdbx_contact_author.name_first         Stefan 
_pdbx_contact_author.name_last          Knapp 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-5995-6494 
_pdbx_contact_author.name_mi            ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Kim, Y.'                              1 
'Marples, P.'                          2 
'Fearon, D.'                           3 
'von Delft, F.'                        4 
'Knapp, S.'                            5 
'Kraemer, A.'                          6 
'Structural Genomics Consortium (SGC)' 7 
# 
_citation.id                        primary 
_citation.title                     'PanDDA analysis group deposition' 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_volume            ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.year                      ? 
_citation.journal_id_ASTM           ? 
_citation.country                   ? 
_citation.journal_id_ISSN           ? 
_citation.journal_id_CSD            0353 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_DOI      ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.identifier_ORCID 
_citation_author.ordinal 
primary 'Kim, Y.'                              ? 1 
primary 'Marples, P.'                          ? 2 
primary 'Fearon, D.'                           ? 3 
primary 'von Delft, F.'                        ? 4 
primary 'Knapp, S.'                            ? 5 
primary 'Kraemer, A.'                          ? 6 
primary 'Structural Genomics Consortium (SGC)' ? 7 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'E3 ubiquitin-protein ligase TRIM21'                               21596.361 1   2.3.2.27 ? ? ? 
2 non-polymer syn 1,2-ETHANEDIOL                                                     62.068    2   ?        ? ? ? 
3 non-polymer syn 'N-[(1R)-1-(1,5-dimethyl-1H-pyrazol-4-yl)ethyl]methanesulfonamide' 217.289   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 'N-[(1R)-1-(1,5-dimethyl-1H-pyrazol-4-yl)ethyl]methanesulfonamide' A1BFZ 
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 
A1BFZ non-polymer         . 'N-[(1R)-1-(1,5-dimethyl-1H-pyrazol-4-yl)ethyl]methanesulfonamide' ?                 'C8 H15 N3 O2 S' 
217.289 
ALA   'L-peptide linking' y ALANINE                                                            ?                 'C3 H7 N O2'     
89.093  
ARG   'L-peptide linking' y ARGININE                                                           ?                 'C6 H15 N4 O2 1' 
175.209 
ASN   'L-peptide linking' y ASPARAGINE                                                         ?                 'C4 H8 N2 O3'    
132.118 
ASP   'L-peptide linking' y 'ASPARTIC ACID'                                                    ?                 'C4 H7 N O4'     
133.103 
CYS   'L-peptide linking' y CYSTEINE                                                           ?                 'C3 H7 N O2 S'   
121.158 
EDO   non-polymer         . 1,2-ETHANEDIOL                                                     'ETHYLENE GLYCOL' 'C2 H6 O2'       
62.068  
GLN   'L-peptide linking' y GLUTAMINE                                                          ?                 'C5 H10 N2 O3'   
146.144 
GLU   'L-peptide linking' y 'GLUTAMIC ACID'                                                    ?                 'C5 H9 N O4'     
147.129 
GLY   'peptide linking'   y GLYCINE                                                            ?                 'C2 H5 N O2'     
75.067  
HIS   'L-peptide linking' y HISTIDINE                                                          ?                 'C6 H10 N3 O2 1' 
156.162 
HOH   non-polymer         . WATER                                                              ?                 'H2 O'           
18.015  
ILE   'L-peptide linking' y ISOLEUCINE                                                         ?                 'C6 H13 N O2'    
131.173 
LEU   'L-peptide linking' y LEUCINE                                                            ?                 'C6 H13 N O2'    
131.173 
LYS   'L-peptide linking' y LYSINE                                                             ?                 'C6 H15 N2 O2 1' 
147.195 
MET   'L-peptide linking' y METHIONINE                                                         ?                 'C5 H11 N O2 S'  
149.211 
PHE   'L-peptide linking' y PHENYLALANINE                                                      ?                 'C9 H11 N O2'    
165.189 
PRO   'L-peptide linking' y PROLINE                                                            ?                 'C5 H9 N O2'     
115.130 
SER   'L-peptide linking' y SERINE                                                             ?                 'C3 H7 N O3'     
105.093 
SO4   non-polymer         . 'SULFATE ION'                                                      ?                 'O4 S -2'        
96.063  
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        A1BFZ 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1BFZ 
_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 A1BFZ 1   202 302 A1BFZ 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 4   HOH   HOH B . 
F 5 HOH   2   302 29  HOH   HOH B . 
F 5 HOH   3   303 11  HOH   HOH B . 
F 5 HOH   4   304 12  HOH   HOH B . 
F 5 HOH   5   305 2   HOH   HOH B . 
F 5 HOH   6   306 107 HOH   HOH B . 
F 5 HOH   7   307 26  HOH   HOH B . 
F 5 HOH   8   308 1   HOH   HOH B . 
F 5 HOH   9   309 27  HOH   HOH B . 
F 5 HOH   10  310 40  HOH   HOH B . 
F 5 HOH   11  311 33  HOH   HOH B . 
F 5 HOH   12  312 21  HOH   HOH B . 
F 5 HOH   13  313 90  HOH   HOH B . 
F 5 HOH   14  314 5   HOH   HOH B . 
F 5 HOH   15  315 25  HOH   HOH B . 
F 5 HOH   16  316 34  HOH   HOH B . 
F 5 HOH   17  317 95  HOH   HOH B . 
F 5 HOH   18  318 31  HOH   HOH B . 
F 5 HOH   19  319 63  HOH   HOH B . 
F 5 HOH   20  320 99  HOH   HOH B . 
F 5 HOH   21  321 81  HOH   HOH B . 
F 5 HOH   22  322 16  HOH   HOH B . 
F 5 HOH   23  323 100 HOH   HOH B . 
F 5 HOH   24  324 102 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  327 129 HOH   HOH B . 
F 5 HOH   28  328 51  HOH   HOH B . 
F 5 HOH   29  329 2   HOH   HOH B . 
F 5 HOH   30  330 211 HOH   HOH B . 
F 5 HOH   31  331 28  HOH   HOH B . 
F 5 HOH   32  332 157 HOH   HOH B . 
F 5 HOH   33  333 16  HOH   HOH B . 
F 5 HOH   34  334 39  HOH   HOH B . 
F 5 HOH   35  335 36  HOH   HOH B . 
F 5 HOH   36  336 72  HOH   HOH B . 
F 5 HOH   37  337 86  HOH   HOH B . 
F 5 HOH   38  338 18  HOH   HOH B . 
F 5 HOH   39  339 267 HOH   HOH B . 
F 5 HOH   40  340 55  HOH   HOH B . 
F 5 HOH   41  341 70  HOH   HOH B . 
F 5 HOH   42  342 26  HOH   HOH B . 
F 5 HOH   43  343 10  HOH   HOH B . 
F 5 HOH   44  344 20  HOH   HOH B . 
F 5 HOH   45  345 80  HOH   HOH B . 
F 5 HOH   46  346 62  HOH   HOH B . 
F 5 HOH   47  347 89  HOH   HOH B . 
F 5 HOH   48  348 22  HOH   HOH B . 
F 5 HOH   49  349 58  HOH   HOH B . 
F 5 HOH   50  350 27  HOH   HOH B . 
F 5 HOH   51  351 184 HOH   HOH B . 
F 5 HOH   52  352 7   HOH   HOH B . 
F 5 HOH   53  353 126 HOH   HOH B . 
F 5 HOH   54  354 73  HOH   HOH B . 
F 5 HOH   55  355 10  HOH   HOH B . 
F 5 HOH   56  356 93  HOH   HOH B . 
F 5 HOH   57  357 29  HOH   HOH B . 
F 5 HOH   58  358 6   HOH   HOH B . 
F 5 HOH   59  359 50  HOH   HOH B . 
F 5 HOH   60  360 19  HOH   HOH B . 
F 5 HOH   61  361 15  HOH   HOH B . 
F 5 HOH   62  362 9   HOH   HOH B . 
F 5 HOH   63  363 66  HOH   HOH B . 
F 5 HOH   64  364 4   HOH   HOH B . 
F 5 HOH   65  365 1   HOH   HOH B . 
F 5 HOH   66  366 47  HOH   HOH B . 
F 5 HOH   67  367 82  HOH   HOH B . 
F 5 HOH   68  368 116 HOH   HOH B . 
F 5 HOH   69  369 61  HOH   HOH B . 
F 5 HOH   70  370 76  HOH   HOH B . 
F 5 HOH   71  371 13  HOH   HOH B . 
F 5 HOH   72  372 8   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 25  HOH   HOH B . 
F 5 HOH   76  376 17  HOH   HOH B . 
F 5 HOH   77  377 304 HOH   HOH B . 
F 5 HOH   78  378 59  HOH   HOH B . 
F 5 HOH   79  379 85  HOH   HOH B . 
F 5 HOH   80  380 3   HOH   HOH B . 
F 5 HOH   81  381 60  HOH   HOH B . 
F 5 HOH   82  382 264 HOH   HOH B . 
F 5 HOH   83  383 71  HOH   HOH B . 
F 5 HOH   84  384 14  HOH   HOH B . 
F 5 HOH   85  385 281 HOH   HOH B . 
F 5 HOH   86  386 45  HOH   HOH B . 
F 5 HOH   87  387 214 HOH   HOH B . 
F 5 HOH   88  388 24  HOH   HOH B . 
F 5 HOH   89  389 303 HOH   HOH B . 
F 5 HOH   90  390 172 HOH   HOH B . 
F 5 HOH   91  391 32  HOH   HOH B . 
F 5 HOH   92  392 48  HOH   HOH B . 
F 5 HOH   93  393 64  HOH   HOH B . 
F 5 HOH   94  394 46  HOH   HOH B . 
F 5 HOH   95  395 56  HOH   HOH B . 
F 5 HOH   96  396 112 HOH   HOH B . 
F 5 HOH   97  397 97  HOH   HOH B . 
F 5 HOH   98  398 12  HOH   HOH B . 
F 5 HOH   99  399 33  HOH   HOH B . 
F 5 HOH   100 400 137 HOH   HOH B . 
F 5 HOH   101 401 49  HOH   HOH B . 
F 5 HOH   102 402 23  HOH   HOH B . 
F 5 HOH   103 403 8   HOH   HOH B . 
F 5 HOH   104 404 125 HOH   HOH B . 
F 5 HOH   105 405 18  HOH   HOH B . 
F 5 HOH   106 406 22  HOH   HOH B . 
F 5 HOH   107 407 140 HOH   HOH B . 
F 5 HOH   108 408 30  HOH   HOH B . 
F 5 HOH   109 409 42  HOH   HOH B . 
F 5 HOH   110 410 20  HOH   HOH B . 
F 5 HOH   111 411 57  HOH   HOH B . 
F 5 HOH   112 412 38  HOH   HOH B . 
F 5 HOH   113 413 32  HOH   HOH B . 
F 5 HOH   114 414 54  HOH   HOH B . 
F 5 HOH   115 415 7   HOH   HOH B . 
F 5 HOH   116 416 156 HOH   HOH B . 
F 5 HOH   117 417 257 HOH   HOH B . 
F 5 HOH   118 418 120 HOH   HOH B . 
F 5 HOH   119 419 15  HOH   HOH B . 
F 5 HOH   120 420 53  HOH   HOH B . 
F 5 HOH   121 421 5   HOH   HOH B . 
F 5 HOH   122 422 41  HOH   HOH B . 
F 5 HOH   123 423 154 HOH   HOH B . 
F 5 HOH   124 424 19  HOH   HOH B . 
F 5 HOH   125 425 69  HOH   HOH B . 
F 5 HOH   126 426 263 HOH   HOH B . 
F 5 HOH   127 427 44  HOH   HOH B . 
F 5 HOH   128 428 103 HOH   HOH B . 
F 5 HOH   129 429 197 HOH   HOH B . 
F 5 HOH   130 430 30  HOH   HOH B . 
F 5 HOH   131 431 114 HOH   HOH B . 
F 5 HOH   132 432 266 HOH   HOH B . 
F 5 HOH   133 433 133 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   140 440 205 HOH   HOH B . 
F 5 HOH   141 441 166 HOH   HOH B . 
F 5 HOH   142 442 127 HOH   HOH B . 
F 5 HOH   143 443 14  HOH   HOH B . 
F 5 HOH   144 444 131 HOH   HOH B . 
F 5 HOH   145 445 270 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           7HO1 
_cell.length_a           95.468 
_cell.length_b           95.468 
_cell.length_c           45.616 
_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                         7HO1 
_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          7HO1 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.41 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   48.89 
_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                     7HO1 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             67.500 
_reflns.d_resolution_high            1.170 
_reflns.number_obs                   61164 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         88.200 
_reflns.pdbx_Rmerge_I_obs            0.044 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        25.000 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              9.600 
_reflns.pdbx_Rrim_I_all              0.046 
_reflns.pdbx_Rpim_I_all              0.013 
_reflns.pdbx_CC_half                 1.000 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     586427 
_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 1.170 1.190  ? 1005 906 ? 0.489 ? ? ? 1.100  ? 0.600   ? ? ? ? ? ? 26.600 0.677 0.467 0.553 
1 2 6.410 67.500 ? 5769 456 ? 0.029 ? ? ? 12.700 ? 123.700 ? ? ? ? ? ? 99.900 0.030 0.009 0.998 
# 
_refine.entry_id                                 7HO1 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.1700 
_refine.ls_d_res_low                             67.5100 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    88.1800 
_refine.ls_number_reflns_obs                     58129 
_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                          0.1758 
_refine.ls_R_factor_R_work                       0.1749 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.1928 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.9000 
_refine.ls_number_reflns_R_free                  2965 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               15.1920 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.0400 
_refine.aniso_B[2][2]                            0.0400 
_refine.aniso_B[3][3]                            -0.0800 
_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               0.9700 
_refine.correlation_coeff_Fo_to_Fc_free          0.9640 
_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                       0.0420 
_refine.pdbx_overall_ESU_R_Free                  0.0430 
_refine.overall_SU_ML                            0.0320 
_refine.overall_SU_B                             0.7360 
_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                                71.290 
_refine.B_iso_min                                7.850 
_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                       1.1700 
_refine_hist.d_res_low                        67.5100 
_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           36.97 
_refine_hist.pdbx_B_iso_mean_solvent          25.56 
_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         1610 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2508 1.845  1.638  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3711 1.436  1.581  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 235  7.192  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 107  27.771 21.215 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 285  11.214 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   22.358 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         221  0.084  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2216 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     488  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            946  1.306  1.317  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         942  1.284  1.307  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1129 2.080  1.973  ? ? 
# 
_refine_ls_shell.d_res_high                       1.1700 
_refine_ls_shell.d_res_low                        1.2000 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               29.9800 
_refine_ls_shell.number_reflns_R_work             1451 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3340 
_refine_ls_shell.R_factor_R_free                  0.3500 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             79 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                1530 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HO1 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z369263636' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HO1 
_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              7HO1 
_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 7HO1 MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HO1 HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HO1 HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HO1 HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HO1 HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HO1 HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HO1 HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HO1 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       -0.61 
# 
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                   7HO1 
_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                126.38 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            14.58 
_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  ? ? 70.53   35.98 
2 1 ASP B 152 ? ? -102.15 52.38 
# 
_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     431 
_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 
A1BFZ N1   N N N 1   
A1BFZ N3   N Y N 2   
A1BFZ C4   C Y N 3   
A1BFZ C5   C Y N 4   
A1BFZ C6   C N N 5   
A1BFZ C7   C Y N 6   
A1BFZ C8   C N N 7   
A1BFZ C1   C N N 8   
A1BFZ C2   C N R 9   
A1BFZ C3   C N N 10  
A1BFZ N2   N Y N 11  
A1BFZ O1   O N N 12  
A1BFZ O2   O N N 13  
A1BFZ S1   S N N 14  
A1BFZ H5   H N N 15  
A1BFZ H9   H N N 16  
A1BFZ H11  H N N 17  
A1BFZ H10  H N N 18  
A1BFZ H12  H N N 19  
A1BFZ H15  H N N 20  
A1BFZ H13  H N N 21  
A1BFZ H14  H N N 22  
A1BFZ H2   H N N 23  
A1BFZ H3   H N N 24  
A1BFZ H1   H N N 25  
A1BFZ H4   H N N 26  
A1BFZ H7   H N N 27  
A1BFZ H8   H N N 28  
A1BFZ H6   H N N 29  
ALA   N    N N N 30  
ALA   CA   C N S 31  
ALA   C    C N N 32  
ALA   O    O N N 33  
ALA   CB   C N N 34  
ALA   OXT  O N N 35  
ALA   H    H N N 36  
ALA   H2   H N N 37  
ALA   HA   H N N 38  
ALA   HB1  H N N 39  
ALA   HB2  H N N 40  
ALA   HB3  H N N 41  
ALA   HXT  H N N 42  
ARG   N    N N N 43  
ARG   CA   C N S 44  
ARG   C    C N N 45  
ARG   O    O N N 46  
ARG   CB   C N N 47  
ARG   CG   C N N 48  
ARG   CD   C N N 49  
ARG   NE   N N N 50  
ARG   CZ   C N N 51  
ARG   NH1  N N N 52  
ARG   NH2  N N N 53  
ARG   OXT  O N N 54  
ARG   H    H N N 55  
ARG   H2   H N N 56  
ARG   HA   H N N 57  
ARG   HB2  H N N 58  
ARG   HB3  H N N 59  
ARG   HG2  H N N 60  
ARG   HG3  H N N 61  
ARG   HD2  H N N 62  
ARG   HD3  H N N 63  
ARG   HE   H N N 64  
ARG   HH11 H N N 65  
ARG   HH12 H N N 66  
ARG   HH21 H N N 67  
ARG   HH22 H N N 68  
ARG   HXT  H N N 69  
ASN   N    N N N 70  
ASN   CA   C N S 71  
ASN   C    C N N 72  
ASN   O    O N N 73  
ASN   CB   C N N 74  
ASN   CG   C N N 75  
ASN   OD1  O N N 76  
ASN   ND2  N N N 77  
ASN   OXT  O N N 78  
ASN   H    H N N 79  
ASN   H2   H N N 80  
ASN   HA   H N N 81  
ASN   HB2  H N N 82  
ASN   HB3  H N N 83  
ASN   HD21 H N N 84  
ASN   HD22 H N N 85  
ASN   HXT  H N N 86  
ASP   N    N N N 87  
ASP   CA   C N S 88  
ASP   C    C N N 89  
ASP   O    O N N 90  
ASP   CB   C N N 91  
ASP   CG   C N N 92  
ASP   OD1  O N N 93  
ASP   OD2  O N N 94  
ASP   OXT  O N N 95  
ASP   H    H N N 96  
ASP   H2   H N N 97  
ASP   HA   H N N 98  
ASP   HB2  H N N 99  
ASP   HB3  H N N 100 
ASP   HD2  H N N 101 
ASP   HXT  H N N 102 
CYS   N    N N N 103 
CYS   CA   C N R 104 
CYS   C    C N N 105 
CYS   O    O N N 106 
CYS   CB   C N N 107 
CYS   SG   S N N 108 
CYS   OXT  O N N 109 
CYS   H    H N N 110 
CYS   H2   H N N 111 
CYS   HA   H N N 112 
CYS   HB2  H N N 113 
CYS   HB3  H N N 114 
CYS   HG   H N N 115 
CYS   HXT  H N N 116 
EDO   C1   C N N 117 
EDO   O1   O N N 118 
EDO   C2   C N N 119 
EDO   O2   O N N 120 
EDO   H11  H N N 121 
EDO   H12  H N N 122 
EDO   HO1  H N N 123 
EDO   H21  H N N 124 
EDO   H22  H N N 125 
EDO   HO2  H N N 126 
GLN   N    N N N 127 
GLN   CA   C N S 128 
GLN   C    C N N 129 
GLN   O    O N N 130 
GLN   CB   C N N 131 
GLN   CG   C N N 132 
GLN   CD   C N N 133 
GLN   OE1  O N N 134 
GLN   NE2  N N N 135 
GLN   OXT  O N N 136 
GLN   H    H N N 137 
GLN   H2   H N N 138 
GLN   HA   H N N 139 
GLN   HB2  H N N 140 
GLN   HB3  H N N 141 
GLN   HG2  H N N 142 
GLN   HG3  H N N 143 
GLN   HE21 H N N 144 
GLN   HE22 H N N 145 
GLN   HXT  H N N 146 
GLU   N    N N N 147 
GLU   CA   C N S 148 
GLU   C    C N N 149 
GLU   O    O N N 150 
GLU   CB   C N N 151 
GLU   CG   C N N 152 
GLU   CD   C N N 153 
GLU   OE1  O N N 154 
GLU   OE2  O N N 155 
GLU   OXT  O N N 156 
GLU   H    H N N 157 
GLU   H2   H N N 158 
GLU   HA   H N N 159 
GLU   HB2  H N N 160 
GLU   HB3  H N N 161 
GLU   HG2  H N N 162 
GLU   HG3  H N N 163 
GLU   HE2  H N N 164 
GLU   HXT  H N N 165 
GLY   N    N N N 166 
GLY   CA   C N N 167 
GLY   C    C N N 168 
GLY   O    O N N 169 
GLY   OXT  O N N 170 
GLY   H    H N N 171 
GLY   H2   H N N 172 
GLY   HA2  H N N 173 
GLY   HA3  H N N 174 
GLY   HXT  H N N 175 
HIS   N    N N N 176 
HIS   CA   C N S 177 
HIS   C    C N N 178 
HIS   O    O N N 179 
HIS   CB   C N N 180 
HIS   CG   C Y N 181 
HIS   ND1  N Y N 182 
HIS   CD2  C Y N 183 
HIS   CE1  C Y N 184 
HIS   NE2  N Y N 185 
HIS   OXT  O N N 186 
HIS   H    H N N 187 
HIS   H2   H N N 188 
HIS   HA   H N N 189 
HIS   HB2  H N N 190 
HIS   HB3  H N N 191 
HIS   HD1  H N N 192 
HIS   HD2  H N N 193 
HIS   HE1  H N N 194 
HIS   HE2  H N N 195 
HIS   HXT  H N N 196 
HOH   O    O N N 197 
HOH   H1   H N N 198 
HOH   H2   H N N 199 
ILE   N    N N N 200 
ILE   CA   C N S 201 
ILE   C    C N N 202 
ILE   O    O N N 203 
ILE   CB   C N S 204 
ILE   CG1  C N N 205 
ILE   CG2  C N N 206 
ILE   CD1  C N N 207 
ILE   OXT  O N N 208 
ILE   H    H N N 209 
ILE   H2   H N N 210 
ILE   HA   H N N 211 
ILE   HB   H N N 212 
ILE   HG12 H N N 213 
ILE   HG13 H N N 214 
ILE   HG21 H N N 215 
ILE   HG22 H N N 216 
ILE   HG23 H N N 217 
ILE   HD11 H N N 218 
ILE   HD12 H N N 219 
ILE   HD13 H N N 220 
ILE   HXT  H N N 221 
LEU   N    N N N 222 
LEU   CA   C N S 223 
LEU   C    C N N 224 
LEU   O    O N N 225 
LEU   CB   C N N 226 
LEU   CG   C N N 227 
LEU   CD1  C N N 228 
LEU   CD2  C N N 229 
LEU   OXT  O N N 230 
LEU   H    H N N 231 
LEU   H2   H N N 232 
LEU   HA   H N N 233 
LEU   HB2  H N N 234 
LEU   HB3  H N N 235 
LEU   HG   H N N 236 
LEU   HD11 H N N 237 
LEU   HD12 H N N 238 
LEU   HD13 H N N 239 
LEU   HD21 H N N 240 
LEU   HD22 H N N 241 
LEU   HD23 H N N 242 
LEU   HXT  H N N 243 
LYS   N    N N N 244 
LYS   CA   C N S 245 
LYS   C    C N N 246 
LYS   O    O N N 247 
LYS   CB   C N N 248 
LYS   CG   C N N 249 
LYS   CD   C N N 250 
LYS   CE   C N N 251 
LYS   NZ   N N N 252 
LYS   OXT  O N N 253 
LYS   H    H N N 254 
LYS   H2   H N N 255 
LYS   HA   H N N 256 
LYS   HB2  H N N 257 
LYS   HB3  H N N 258 
LYS   HG2  H N N 259 
LYS   HG3  H N N 260 
LYS   HD2  H N N 261 
LYS   HD3  H N N 262 
LYS   HE2  H N N 263 
LYS   HE3  H N N 264 
LYS   HZ1  H N N 265 
LYS   HZ2  H N N 266 
LYS   HZ3  H N N 267 
LYS   HXT  H N N 268 
MET   N    N N N 269 
MET   CA   C N S 270 
MET   C    C N N 271 
MET   O    O N N 272 
MET   CB   C N N 273 
MET   CG   C N N 274 
MET   SD   S N N 275 
MET   CE   C N N 276 
MET   OXT  O N N 277 
MET   H    H N N 278 
MET   H2   H N N 279 
MET   HA   H N N 280 
MET   HB2  H N N 281 
MET   HB3  H N N 282 
MET   HG2  H N N 283 
MET   HG3  H N N 284 
MET   HE1  H N N 285 
MET   HE2  H N N 286 
MET   HE3  H N N 287 
MET   HXT  H N N 288 
PHE   N    N N N 289 
PHE   CA   C N S 290 
PHE   C    C N N 291 
PHE   O    O N N 292 
PHE   CB   C N N 293 
PHE   CG   C Y N 294 
PHE   CD1  C Y N 295 
PHE   CD2  C Y N 296 
PHE   CE1  C Y N 297 
PHE   CE2  C Y N 298 
PHE   CZ   C Y N 299 
PHE   OXT  O N N 300 
PHE   H    H N N 301 
PHE   H2   H N N 302 
PHE   HA   H N N 303 
PHE   HB2  H N N 304 
PHE   HB3  H N N 305 
PHE   HD1  H N N 306 
PHE   HD2  H N N 307 
PHE   HE1  H N N 308 
PHE   HE2  H N N 309 
PHE   HZ   H N N 310 
PHE   HXT  H N N 311 
PRO   N    N N N 312 
PRO   CA   C N S 313 
PRO   C    C N N 314 
PRO   O    O N N 315 
PRO   CB   C N N 316 
PRO   CG   C N N 317 
PRO   CD   C N N 318 
PRO   OXT  O N N 319 
PRO   H    H N N 320 
PRO   HA   H N N 321 
PRO   HB2  H N N 322 
PRO   HB3  H N N 323 
PRO   HG2  H N N 324 
PRO   HG3  H N N 325 
PRO   HD2  H N N 326 
PRO   HD3  H N N 327 
PRO   HXT  H N N 328 
SER   N    N N N 329 
SER   CA   C N S 330 
SER   C    C N N 331 
SER   O    O N N 332 
SER   CB   C N N 333 
SER   OG   O N N 334 
SER   OXT  O N N 335 
SER   H    H N N 336 
SER   H2   H N N 337 
SER   HA   H N N 338 
SER   HB2  H N N 339 
SER   HB3  H N N 340 
SER   HG   H N N 341 
SER   HXT  H N N 342 
SO4   S    S N N 343 
SO4   O1   O N N 344 
SO4   O2   O N N 345 
SO4   O3   O N N 346 
SO4   O4   O N N 347 
THR   N    N N N 348 
THR   CA   C N S 349 
THR   C    C N N 350 
THR   O    O N N 351 
THR   CB   C N R 352 
THR   OG1  O N N 353 
THR   CG2  C N N 354 
THR   OXT  O N N 355 
THR   H    H N N 356 
THR   H2   H N N 357 
THR   HA   H N N 358 
THR   HB   H N N 359 
THR   HG1  H N N 360 
THR   HG21 H N N 361 
THR   HG22 H N N 362 
THR   HG23 H N N 363 
THR   HXT  H N N 364 
TRP   N    N N N 365 
TRP   CA   C N S 366 
TRP   C    C N N 367 
TRP   O    O N N 368 
TRP   CB   C N N 369 
TRP   CG   C Y N 370 
TRP   CD1  C Y N 371 
TRP   CD2  C Y N 372 
TRP   NE1  N Y N 373 
TRP   CE2  C Y N 374 
TRP   CE3  C Y N 375 
TRP   CZ2  C Y N 376 
TRP   CZ3  C Y N 377 
TRP   CH2  C Y N 378 
TRP   OXT  O N N 379 
TRP   H    H N N 380 
TRP   H2   H N N 381 
TRP   HA   H N N 382 
TRP   HB2  H N N 383 
TRP   HB3  H N N 384 
TRP   HD1  H N N 385 
TRP   HE1  H N N 386 
TRP   HE3  H N N 387 
TRP   HZ2  H N N 388 
TRP   HZ3  H N N 389 
TRP   HH2  H N N 390 
TRP   HXT  H N N 391 
TYR   N    N N N 392 
TYR   CA   C N S 393 
TYR   C    C N N 394 
TYR   O    O N N 395 
TYR   CB   C N N 396 
TYR   CG   C Y N 397 
TYR   CD1  C Y N 398 
TYR   CD2  C Y N 399 
TYR   CE1  C Y N 400 
TYR   CE2  C Y N 401 
TYR   CZ   C Y N 402 
TYR   OH   O N N 403 
TYR   OXT  O N N 404 
TYR   H    H N N 405 
TYR   H2   H N N 406 
TYR   HA   H N N 407 
TYR   HB2  H N N 408 
TYR   HB3  H N N 409 
TYR   HD1  H N N 410 
TYR   HD2  H N N 411 
TYR   HE1  H N N 412 
TYR   HE2  H N N 413 
TYR   HH   H N N 414 
TYR   HXT  H N N 415 
VAL   N    N N N 416 
VAL   CA   C N S 417 
VAL   C    C N N 418 
VAL   O    O N N 419 
VAL   CB   C N N 420 
VAL   CG1  C N N 421 
VAL   CG2  C N N 422 
VAL   OXT  O N N 423 
VAL   H    H N N 424 
VAL   H2   H N N 425 
VAL   HA   H N N 426 
VAL   HB   H N N 427 
VAL   HG11 H N N 428 
VAL   HG12 H N N 429 
VAL   HG13 H N N 430 
VAL   HG21 H N N 431 
VAL   HG22 H N N 432 
VAL   HG23 H N N 433 
VAL   HXT  H N N 434 
# 
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 
A1BFZ C1  C2   sing N N 1   
A1BFZ C2  N1   sing N N 2   
A1BFZ N1  S1   sing N N 3   
A1BFZ S1  O1   doub N N 4   
A1BFZ S1  O2   doub N N 5   
A1BFZ S1  C3   sing N N 6   
A1BFZ C2  C4   sing N N 7   
A1BFZ C4  C5   sing Y N 8   
A1BFZ C5  N2   doub Y N 9   
A1BFZ N2  N3   sing Y N 10  
A1BFZ N3  C6   sing N N 11  
A1BFZ N3  C7   sing Y N 12  
A1BFZ C7  C8   sing N N 13  
A1BFZ C4  C7   doub Y N 14  
A1BFZ N1  H5   sing N N 15  
A1BFZ C5  H9   sing N N 16  
A1BFZ C6  H11  sing N N 17  
A1BFZ C6  H10  sing N N 18  
A1BFZ C6  H12  sing N N 19  
A1BFZ C8  H15  sing N N 20  
A1BFZ C8  H13  sing N N 21  
A1BFZ C8  H14  sing N N 22  
A1BFZ C1  H2   sing N N 23  
A1BFZ C1  H3   sing N N 24  
A1BFZ C1  H1   sing N N 25  
A1BFZ C2  H4   sing N N 26  
A1BFZ C3  H7   sing N N 27  
A1BFZ C3  H8   sing N N 28  
A1BFZ C3  H6   sing N N 29  
ALA   N   CA   sing N N 30  
ALA   N   H    sing N N 31  
ALA   N   H2   sing N N 32  
ALA   CA  C    sing N N 33  
ALA   CA  CB   sing N N 34  
ALA   CA  HA   sing N N 35  
ALA   C   O    doub N N 36  
ALA   C   OXT  sing N N 37  
ALA   CB  HB1  sing N N 38  
ALA   CB  HB2  sing N N 39  
ALA   CB  HB3  sing N N 40  
ALA   OXT HXT  sing N N 41  
ARG   N   CA   sing N N 42  
ARG   N   H    sing N N 43  
ARG   N   H2   sing N N 44  
ARG   CA  C    sing N N 45  
ARG   CA  CB   sing N N 46  
ARG   CA  HA   sing N N 47  
ARG   C   O    doub N N 48  
ARG   C   OXT  sing N N 49  
ARG   CB  CG   sing N N 50  
ARG   CB  HB2  sing N N 51  
ARG   CB  HB3  sing N N 52  
ARG   CG  CD   sing N N 53  
ARG   CG  HG2  sing N N 54  
ARG   CG  HG3  sing N N 55  
ARG   CD  NE   sing N N 56  
ARG   CD  HD2  sing N N 57  
ARG   CD  HD3  sing N N 58  
ARG   NE  CZ   sing N N 59  
ARG   NE  HE   sing N N 60  
ARG   CZ  NH1  sing N N 61  
ARG   CZ  NH2  doub N N 62  
ARG   NH1 HH11 sing N N 63  
ARG   NH1 HH12 sing N N 64  
ARG   NH2 HH21 sing N N 65  
ARG   NH2 HH22 sing N N 66  
ARG   OXT HXT  sing N N 67  
ASN   N   CA   sing N N 68  
ASN   N   H    sing N N 69  
ASN   N   H2   sing N N 70  
ASN   CA  C    sing N N 71  
ASN   CA  CB   sing N N 72  
ASN   CA  HA   sing N N 73  
ASN   C   O    doub N N 74  
ASN   C   OXT  sing N N 75  
ASN   CB  CG   sing N N 76  
ASN   CB  HB2  sing N N 77  
ASN   CB  HB3  sing N N 78  
ASN   CG  OD1  doub N N 79  
ASN   CG  ND2  sing N N 80  
ASN   ND2 HD21 sing N N 81  
ASN   ND2 HD22 sing N N 82  
ASN   OXT HXT  sing N N 83  
ASP   N   CA   sing N N 84  
ASP   N   H    sing N N 85  
ASP   N   H2   sing N N 86  
ASP   CA  C    sing N N 87  
ASP   CA  CB   sing N N 88  
ASP   CA  HA   sing N N 89  
ASP   C   O    doub N N 90  
ASP   C   OXT  sing N N 91  
ASP   CB  CG   sing N N 92  
ASP   CB  HB2  sing N N 93  
ASP   CB  HB3  sing N N 94  
ASP   CG  OD1  doub N N 95  
ASP   CG  OD2  sing N N 96  
ASP   OD2 HD2  sing N N 97  
ASP   OXT HXT  sing N N 98  
CYS   N   CA   sing N N 99  
CYS   N   H    sing N N 100 
CYS   N   H2   sing N N 101 
CYS   CA  C    sing N N 102 
CYS   CA  CB   sing N N 103 
CYS   CA  HA   sing N N 104 
CYS   C   O    doub N N 105 
CYS   C   OXT  sing N N 106 
CYS   CB  SG   sing N N 107 
CYS   CB  HB2  sing N N 108 
CYS   CB  HB3  sing N N 109 
CYS   SG  HG   sing N N 110 
CYS   OXT HXT  sing N N 111 
EDO   C1  O1   sing N N 112 
EDO   C1  C2   sing N N 113 
EDO   C1  H11  sing N N 114 
EDO   C1  H12  sing N N 115 
EDO   O1  HO1  sing N N 116 
EDO   C2  O2   sing N N 117 
EDO   C2  H21  sing N N 118 
EDO   C2  H22  sing N N 119 
EDO   O2  HO2  sing N N 120 
GLN   N   CA   sing N N 121 
GLN   N   H    sing N N 122 
GLN   N   H2   sing N N 123 
GLN   CA  C    sing N N 124 
GLN   CA  CB   sing N N 125 
GLN   CA  HA   sing N N 126 
GLN   C   O    doub N N 127 
GLN   C   OXT  sing N N 128 
GLN   CB  CG   sing N N 129 
GLN   CB  HB2  sing N N 130 
GLN   CB  HB3  sing N N 131 
GLN   CG  CD   sing N N 132 
GLN   CG  HG2  sing N N 133 
GLN   CG  HG3  sing N N 134 
GLN   CD  OE1  doub N N 135 
GLN   CD  NE2  sing N N 136 
GLN   NE2 HE21 sing N N 137 
GLN   NE2 HE22 sing N N 138 
GLN   OXT HXT  sing N N 139 
GLU   N   CA   sing N N 140 
GLU   N   H    sing N N 141 
GLU   N   H2   sing N N 142 
GLU   CA  C    sing N N 143 
GLU   CA  CB   sing N N 144 
GLU   CA  HA   sing N N 145 
GLU   C   O    doub N N 146 
GLU   C   OXT  sing N N 147 
GLU   CB  CG   sing N N 148 
GLU   CB  HB2  sing N N 149 
GLU   CB  HB3  sing N N 150 
GLU   CG  CD   sing N N 151 
GLU   CG  HG2  sing N N 152 
GLU   CG  HG3  sing N N 153 
GLU   CD  OE1  doub N N 154 
GLU   CD  OE2  sing N N 155 
GLU   OE2 HE2  sing N N 156 
GLU   OXT HXT  sing N N 157 
GLY   N   CA   sing N N 158 
GLY   N   H    sing N N 159 
GLY   N   H2   sing N N 160 
GLY   CA  C    sing N N 161 
GLY   CA  HA2  sing N N 162 
GLY   CA  HA3  sing N N 163 
GLY   C   O    doub N N 164 
GLY   C   OXT  sing N N 165 
GLY   OXT HXT  sing N N 166 
HIS   N   CA   sing N N 167 
HIS   N   H    sing N N 168 
HIS   N   H2   sing N N 169 
HIS   CA  C    sing N N 170 
HIS   CA  CB   sing N N 171 
HIS   CA  HA   sing N N 172 
HIS   C   O    doub N N 173 
HIS   C   OXT  sing N N 174 
HIS   CB  CG   sing N N 175 
HIS   CB  HB2  sing N N 176 
HIS   CB  HB3  sing N N 177 
HIS   CG  ND1  sing Y N 178 
HIS   CG  CD2  doub Y N 179 
HIS   ND1 CE1  doub Y N 180 
HIS   ND1 HD1  sing N N 181 
HIS   CD2 NE2  sing Y N 182 
HIS   CD2 HD2  sing N N 183 
HIS   CE1 NE2  sing Y N 184 
HIS   CE1 HE1  sing N N 185 
HIS   NE2 HE2  sing N N 186 
HIS   OXT HXT  sing N N 187 
HOH   O   H1   sing N N 188 
HOH   O   H2   sing N N 189 
ILE   N   CA   sing N N 190 
ILE   N   H    sing N N 191 
ILE   N   H2   sing N N 192 
ILE   CA  C    sing N N 193 
ILE   CA  CB   sing N N 194 
ILE   CA  HA   sing N N 195 
ILE   C   O    doub N N 196 
ILE   C   OXT  sing N N 197 
ILE   CB  CG1  sing N N 198 
ILE   CB  CG2  sing N N 199 
ILE   CB  HB   sing N N 200 
ILE   CG1 CD1  sing N N 201 
ILE   CG1 HG12 sing N N 202 
ILE   CG1 HG13 sing N N 203 
ILE   CG2 HG21 sing N N 204 
ILE   CG2 HG22 sing N N 205 
ILE   CG2 HG23 sing N N 206 
ILE   CD1 HD11 sing N N 207 
ILE   CD1 HD12 sing N N 208 
ILE   CD1 HD13 sing N N 209 
ILE   OXT HXT  sing N N 210 
LEU   N   CA   sing N N 211 
LEU   N   H    sing N N 212 
LEU   N   H2   sing N N 213 
LEU   CA  C    sing N N 214 
LEU   CA  CB   sing N N 215 
LEU   CA  HA   sing N N 216 
LEU   C   O    doub N N 217 
LEU   C   OXT  sing N N 218 
LEU   CB  CG   sing N N 219 
LEU   CB  HB2  sing N N 220 
LEU   CB  HB3  sing N N 221 
LEU   CG  CD1  sing N N 222 
LEU   CG  CD2  sing N N 223 
LEU   CG  HG   sing N N 224 
LEU   CD1 HD11 sing N N 225 
LEU   CD1 HD12 sing N N 226 
LEU   CD1 HD13 sing N N 227 
LEU   CD2 HD21 sing N N 228 
LEU   CD2 HD22 sing N N 229 
LEU   CD2 HD23 sing N N 230 
LEU   OXT HXT  sing N N 231 
LYS   N   CA   sing N N 232 
LYS   N   H    sing N N 233 
LYS   N   H2   sing N N 234 
LYS   CA  C    sing N N 235 
LYS   CA  CB   sing N N 236 
LYS   CA  HA   sing N N 237 
LYS   C   O    doub N N 238 
LYS   C   OXT  sing N N 239 
LYS   CB  CG   sing N N 240 
LYS   CB  HB2  sing N N 241 
LYS   CB  HB3  sing N N 242 
LYS   CG  CD   sing N N 243 
LYS   CG  HG2  sing N N 244 
LYS   CG  HG3  sing N N 245 
LYS   CD  CE   sing N N 246 
LYS   CD  HD2  sing N N 247 
LYS   CD  HD3  sing N N 248 
LYS   CE  NZ   sing N N 249 
LYS   CE  HE2  sing N N 250 
LYS   CE  HE3  sing N N 251 
LYS   NZ  HZ1  sing N N 252 
LYS   NZ  HZ2  sing N N 253 
LYS   NZ  HZ3  sing N N 254 
LYS   OXT HXT  sing N N 255 
MET   N   CA   sing N N 256 
MET   N   H    sing N N 257 
MET   N   H2   sing N N 258 
MET   CA  C    sing N N 259 
MET   CA  CB   sing N N 260 
MET   CA  HA   sing N N 261 
MET   C   O    doub N N 262 
MET   C   OXT  sing N N 263 
MET   CB  CG   sing N N 264 
MET   CB  HB2  sing N N 265 
MET   CB  HB3  sing N N 266 
MET   CG  SD   sing N N 267 
MET   CG  HG2  sing N N 268 
MET   CG  HG3  sing N N 269 
MET   SD  CE   sing N N 270 
MET   CE  HE1  sing N N 271 
MET   CE  HE2  sing N N 272 
MET   CE  HE3  sing N N 273 
MET   OXT HXT  sing N N 274 
PHE   N   CA   sing N N 275 
PHE   N   H    sing N N 276 
PHE   N   H2   sing N N 277 
PHE   CA  C    sing N N 278 
PHE   CA  CB   sing N N 279 
PHE   CA  HA   sing N N 280 
PHE   C   O    doub N N 281 
PHE   C   OXT  sing N N 282 
PHE   CB  CG   sing N N 283 
PHE   CB  HB2  sing N N 284 
PHE   CB  HB3  sing N N 285 
PHE   CG  CD1  doub Y N 286 
PHE   CG  CD2  sing Y N 287 
PHE   CD1 CE1  sing Y N 288 
PHE   CD1 HD1  sing N N 289 
PHE   CD2 CE2  doub Y N 290 
PHE   CD2 HD2  sing N N 291 
PHE   CE1 CZ   doub Y N 292 
PHE   CE1 HE1  sing N N 293 
PHE   CE2 CZ   sing Y N 294 
PHE   CE2 HE2  sing N N 295 
PHE   CZ  HZ   sing N N 296 
PHE   OXT HXT  sing N N 297 
PRO   N   CA   sing N N 298 
PRO   N   CD   sing N N 299 
PRO   N   H    sing N N 300 
PRO   CA  C    sing N N 301 
PRO   CA  CB   sing N N 302 
PRO   CA  HA   sing N N 303 
PRO   C   O    doub N N 304 
PRO   C   OXT  sing N N 305 
PRO   CB  CG   sing N N 306 
PRO   CB  HB2  sing N N 307 
PRO   CB  HB3  sing N N 308 
PRO   CG  CD   sing N N 309 
PRO   CG  HG2  sing N N 310 
PRO   CG  HG3  sing N N 311 
PRO   CD  HD2  sing N N 312 
PRO   CD  HD3  sing N N 313 
PRO   OXT HXT  sing N N 314 
SER   N   CA   sing N N 315 
SER   N   H    sing N N 316 
SER   N   H2   sing N N 317 
SER   CA  C    sing N N 318 
SER   CA  CB   sing N N 319 
SER   CA  HA   sing N N 320 
SER   C   O    doub N N 321 
SER   C   OXT  sing N N 322 
SER   CB  OG   sing N N 323 
SER   CB  HB2  sing N N 324 
SER   CB  HB3  sing N N 325 
SER   OG  HG   sing N N 326 
SER   OXT HXT  sing N N 327 
SO4   S   O1   doub N N 328 
SO4   S   O2   doub N N 329 
SO4   S   O3   sing N N 330 
SO4   S   O4   sing N N 331 
THR   N   CA   sing N N 332 
THR   N   H    sing N N 333 
THR   N   H2   sing N N 334 
THR   CA  C    sing N N 335 
THR   CA  CB   sing N N 336 
THR   CA  HA   sing N N 337 
THR   C   O    doub N N 338 
THR   C   OXT  sing N N 339 
THR   CB  OG1  sing N N 340 
THR   CB  CG2  sing N N 341 
THR   CB  HB   sing N N 342 
THR   OG1 HG1  sing N N 343 
THR   CG2 HG21 sing N N 344 
THR   CG2 HG22 sing N N 345 
THR   CG2 HG23 sing N N 346 
THR   OXT HXT  sing N N 347 
TRP   N   CA   sing N N 348 
TRP   N   H    sing N N 349 
TRP   N   H2   sing N N 350 
TRP   CA  C    sing N N 351 
TRP   CA  CB   sing N N 352 
TRP   CA  HA   sing N N 353 
TRP   C   O    doub N N 354 
TRP   C   OXT  sing N N 355 
TRP   CB  CG   sing N N 356 
TRP   CB  HB2  sing N N 357 
TRP   CB  HB3  sing N N 358 
TRP   CG  CD1  doub Y N 359 
TRP   CG  CD2  sing Y N 360 
TRP   CD1 NE1  sing Y N 361 
TRP   CD1 HD1  sing N N 362 
TRP   CD2 CE2  doub Y N 363 
TRP   CD2 CE3  sing Y N 364 
TRP   NE1 CE2  sing Y N 365 
TRP   NE1 HE1  sing N N 366 
TRP   CE2 CZ2  sing Y N 367 
TRP   CE3 CZ3  doub Y N 368 
TRP   CE3 HE3  sing N N 369 
TRP   CZ2 CH2  doub Y N 370 
TRP   CZ2 HZ2  sing N N 371 
TRP   CZ3 CH2  sing Y N 372 
TRP   CZ3 HZ3  sing N N 373 
TRP   CH2 HH2  sing N N 374 
TRP   OXT HXT  sing N N 375 
TYR   N   CA   sing N N 376 
TYR   N   H    sing N N 377 
TYR   N   H2   sing N N 378 
TYR   CA  C    sing N N 379 
TYR   CA  CB   sing N N 380 
TYR   CA  HA   sing N N 381 
TYR   C   O    doub N N 382 
TYR   C   OXT  sing N N 383 
TYR   CB  CG   sing N N 384 
TYR   CB  HB2  sing N N 385 
TYR   CB  HB3  sing N N 386 
TYR   CG  CD1  doub Y N 387 
TYR   CG  CD2  sing Y N 388 
TYR   CD1 CE1  sing Y N 389 
TYR   CD1 HD1  sing N N 390 
TYR   CD2 CE2  doub Y N 391 
TYR   CD2 HD2  sing N N 392 
TYR   CE1 CZ   doub Y N 393 
TYR   CE1 HE1  sing N N 394 
TYR   CE2 CZ   sing Y N 395 
TYR   CE2 HE2  sing N N 396 
TYR   CZ  OH   sing N N 397 
TYR   OH  HH   sing N N 398 
TYR   OXT HXT  sing N N 399 
VAL   N   CA   sing N N 400 
VAL   N   H    sing N N 401 
VAL   N   H2   sing N N 402 
VAL   CA  C    sing N N 403 
VAL   CA  CB   sing N N 404 
VAL   CA  HA   sing N N 405 
VAL   C   O    doub N N 406 
VAL   C   OXT  sing N N 407 
VAL   CB  CG1  sing N N 408 
VAL   CB  CG2  sing N N 409 
VAL   CB  HB   sing N N 410 
VAL   CG1 HG11 sing N N 411 
VAL   CG1 HG12 sing N N 412 
VAL   CG1 HG13 sing N N 413 
VAL   CG2 HG21 sing N N 414 
VAL   CG2 HG22 sing N N 415 
VAL   CG2 HG23 sing N N 416 
VAL   OXT HXT  sing N N 417 
# 
_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                    7HO1 
_atom_sites.fract_transf_matrix[1][1]   0.010475 
_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]   0.010475 
_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]   0.021922 
_atom_sites.fract_transf_vector[1]      0.000000 
_atom_sites.fract_transf_vector[2]      0.000000 
_atom_sites.fract_transf_vector[3]      0.000000 
# 
loop_
_atom_type.symbol 
C 
N 
O 
S 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N   . HIS   A 1 2   ? -13.413 -12.553 -9.788  1.00 58.85 ? 8   HIS   B N   1 
ATOM   2    C CA  . HIS   A 1 2   ? -12.882 -13.285 -10.997 1.00 54.58 ? 8   HIS   B CA  1 
ATOM   3    C C   . HIS   A 1 2   ? -11.742 -12.478 -11.633 1.00 53.19 ? 8   HIS   B C   1 
ATOM   4    O O   . HIS   A 1 2   ? -11.609 -11.272 -11.308 1.00 57.09 ? 8   HIS   B O   1 
ATOM   5    C CB  . HIS   A 1 2   ? -14.013 -13.567 -12.006 1.00 48.53 ? 8   HIS   B CB  1 
ATOM   6    C CG  . HIS   A 1 2   ? -14.578 -12.340 -12.644 1.00 43.92 ? 8   HIS   B CG  1 
ATOM   7    N ND1 . HIS   A 1 2   ? -13.994 -11.753 -13.752 1.00 44.66 ? 8   HIS   B ND1 1 
ATOM   8    C CD2 . HIS   A 1 2   ? -15.658 -11.585 -12.344 1.00 41.27 ? 8   HIS   B CD2 1 
ATOM   9    C CE1 . HIS   A 1 2   ? -14.683 -10.681 -14.097 1.00 42.42 ? 8   HIS   B CE1 1 
ATOM   10   N NE2 . HIS   A 1 2   ? -15.710 -10.551 -13.251 1.00 35.60 ? 8   HIS   B NE2 1 
ATOM   11   N N   . HIS   A 1 3   ? -10.989 -13.103 -12.540 1.00 47.44 ? 9   HIS   B N   1 
ATOM   12   C CA  . HIS   A 1 3   ? -9.848  -12.487 -13.271 1.00 47.74 ? 9   HIS   B CA  1 
ATOM   13   C C   . HIS   A 1 3   ? -10.039 -12.621 -14.793 1.00 40.63 ? 9   HIS   B C   1 
ATOM   14   O O   . HIS   A 1 3   ? -9.027  -12.797 -15.499 1.00 43.18 ? 9   HIS   B O   1 
ATOM   15   C CB  . HIS   A 1 3   ? -8.532  -13.091 -12.742 1.00 56.32 ? 9   HIS   B CB  1 
ATOM   16   C CG  . HIS   A 1 3   ? -8.315  -12.835 -11.284 1.00 64.59 ? 9   HIS   B CG  1 
ATOM   17   N ND1 . HIS   A 1 3   ? -8.096  -11.562 -10.776 1.00 67.32 ? 9   HIS   B ND1 1 
ATOM   18   C CD2 . HIS   A 1 3   ? -8.296  -13.671 -10.221 1.00 69.95 ? 9   HIS   B CD2 1 
ATOM   19   C CE1 . HIS   A 1 3   ? -7.951  -11.627 -9.467  1.00 69.24 ? 9   HIS   B CE1 1 
ATOM   20   N NE2 . HIS   A 1 3   ? -8.065  -12.912 -9.102  1.00 71.29 ? 9   HIS   B NE2 1 
ATOM   21   N N   . HIS   A 1 4   ? -11.279 -12.479 -15.292 1.00 33.92 ? 10  HIS   B N   1 
ATOM   22   C CA  . HIS   A 1 4   ? -11.667 -12.688 -16.720 1.00 28.08 ? 10  HIS   B CA  1 
ATOM   23   C C   . HIS   A 1 4   ? -11.649 -11.362 -17.487 1.00 28.53 ? 10  HIS   B C   1 
ATOM   24   O O   . HIS   A 1 4   ? -11.779 -11.396 -18.721 1.00 25.07 ? 10  HIS   B O   1 
ATOM   25   C CB  . HIS   A 1 4   ? -13.076 -13.299 -16.840 1.00 27.65 ? 10  HIS   B CB  1 
ATOM   26   C CG  . HIS   A 1 4   ? -13.219 -14.655 -16.246 1.00 27.80 ? 10  HIS   B CG  1 
ATOM   27   N ND1 . HIS   A 1 4   ? -12.345 -15.694 -16.533 1.00 26.64 ? 10  HIS   B ND1 1 
ATOM   28   C CD2 . HIS   A 1 4   ? -14.159 -15.165 -15.422 1.00 26.20 ? 10  HIS   B CD2 1 
ATOM   29   C CE1 . HIS   A 1 4   ? -12.735 -16.778 -15.888 1.00 31.46 ? 10  HIS   B CE1 1 
ATOM   30   N NE2 . HIS   A 1 4   ? -13.849 -16.475 -15.209 1.00 31.46 ? 10  HIS   B NE2 1 
ATOM   31   N N   . HIS   A 1 5   ? -11.471 -10.235 -16.794 1.00 30.20 ? 11  HIS   B N   1 
ATOM   32   C CA  . HIS   A 1 5   ? -11.596 -8.863  -17.356 1.00 31.53 ? 11  HIS   B CA  1 
ATOM   33   C C   . HIS   A 1 5   ? -10.706 -8.666  -18.589 1.00 29.69 ? 11  HIS   B C   1 
ATOM   34   O O   . HIS   A 1 5   ? -11.158 -7.958  -19.509 1.00 30.96 ? 11  HIS   B O   1 
ATOM   35   C CB  . HIS   A 1 5   ? -11.294 -7.798  -16.282 1.00 38.89 ? 11  HIS   B CB  1 
ATOM   36   C CG  . HIS   A 1 5   ? -12.140 -7.916  -15.059 1.00 45.25 ? 11  HIS   B CG  1 
ATOM   37   N ND1 . HIS   A 1 5   ? -11.736 -8.642  -13.943 1.00 53.41 ? 11  HIS   B ND1 1 
ATOM   38   C CD2 . HIS   A 1 5   ? -13.362 -7.412  -14.764 1.00 48.62 ? 11  HIS   B CD2 1 
ATOM   39   C CE1 . HIS   A 1 5   ? -12.676 -8.580  -13.014 1.00 52.22 ? 11  HIS   B CE1 1 
ATOM   40   N NE2 . HIS   A 1 5   ? -13.687 -7.831  -13.495 1.00 49.48 ? 11  HIS   B NE2 1 
ATOM   41   N N   . HIS   A 1 6   ? -9.510  -9.278  -18.646 1.00 28.05 ? 12  HIS   B N   1 
ATOM   42   C CA  . HIS   A 1 6   ? -8.547  -9.111  -19.771 1.00 28.13 ? 12  HIS   B CA  1 
ATOM   43   C C   . HIS   A 1 6   ? -9.039  -9.753  -21.080 1.00 25.89 ? 12  HIS   B C   1 
ATOM   44   O O   . HIS   A 1 6   ? -8.428  -9.487  -22.121 1.00 28.95 ? 12  HIS   B O   1 
ATOM   45   C CB  . HIS   A 1 6   ? -7.155  -9.638  -19.386 1.00 33.58 ? 12  HIS   B CB  1 
ATOM   46   C CG  . HIS   A 1 6   ? -7.117  -11.082 -19.030 1.00 33.27 ? 12  HIS   B CG  1 
ATOM   47   N ND1 . HIS   A 1 6   ? -6.507  -12.027 -19.842 1.00 39.89 ? 12  HIS   B ND1 1 
ATOM   48   C CD2 . HIS   A 1 6   ? -7.568  -11.748 -17.946 1.00 35.00 ? 12  HIS   B CD2 1 
ATOM   49   C CE1 . HIS   A 1 6   ? -6.603  -13.214 -19.278 1.00 32.77 ? 12  HIS   B CE1 1 
ATOM   50   N NE2 . HIS   A 1 6   ? -7.253  -13.075 -18.118 1.00 39.04 ? 12  HIS   B NE2 1 
ATOM   51   N N   . HIS   A 1 7   ? -10.098 -10.577 -21.072 1.00 21.97 ? 13  HIS   B N   1 
ATOM   52   C CA  . HIS   A 1 7   ? -10.737 -11.113 -22.311 1.00 18.78 ? 13  HIS   B CA  1 
ATOM   53   C C   . HIS   A 1 7   ? -11.843 -10.185 -22.793 1.00 17.09 ? 13  HIS   B C   1 
ATOM   54   O O   . HIS   A 1 7   ? -12.667 -10.647 -23.579 1.00 15.32 ? 13  HIS   B O   1 
ATOM   55   C CB  . HIS   A 1 7   ? -11.283 -12.506 -22.039 1.00 17.74 ? 13  HIS   B CB  1 
ATOM   56   C CG  . HIS   A 1 7   ? -10.214 -13.469 -21.621 1.00 18.59 ? 13  HIS   B CG  1 
ATOM   57   N ND1 . HIS   A 1 7   ? -9.189  -13.819 -22.485 1.00 19.12 ? 13  HIS   B ND1 1 
ATOM   58   C CD2 . HIS   A 1 7   ? -10.059 -14.171 -20.484 1.00 20.08 ? 13  HIS   B CD2 1 
ATOM   59   C CE1 . HIS   A 1 7   ? -8.396  -14.660 -21.851 1.00 20.06 ? 13  HIS   B CE1 1 
ATOM   60   N NE2 . HIS   A 1 7   ? -8.901  -14.914 -20.640 1.00 21.65 ? 13  HIS   B NE2 1 
ATOM   61   N N   . MET   A 1 8   ? -11.889 -8.964  -22.281 1.00 16.94 ? 14  MET   B N   1 
ATOM   62   C CA  . MET   A 1 8   ? -12.947 -7.984  -22.629 1.00 18.66 ? 14  MET   B CA  1 
ATOM   63   C C   . MET   A 1 8   ? -13.046 -7.816  -24.141 1.00 18.67 ? 14  MET   B C   1 
ATOM   64   O O   . MET   A 1 8   ? -12.006 -7.667  -24.861 1.00 21.28 ? 14  MET   B O   1 
ATOM   65   C CB  . MET   A 1 8   ? -12.635 -6.622  -22.003 1.00 23.55 ? 14  MET   B CB  1 
ATOM   66   C CG  . MET   A 1 8   ? -13.683 -5.535  -22.248 1.00 30.01 ? 14  MET   B CG  1 
ATOM   67   S SD  . MET   A 1 8   ? -15.240 -5.779  -21.317 1.00 41.36 ? 14  MET   B SD  1 
ATOM   68   C CE  . MET   A 1 8   ? -14.758 -5.120  -19.726 1.00 34.35 ? 14  MET   B CE  1 
ATOM   69   N N   . VAL   A 1 9   ? -14.264 -7.812  -24.655 1.00 16.32 ? 15  VAL   B N   1 
ATOM   70   C CA  . VAL   A 1 9   ? -14.575 -7.574  -26.088 1.00 16.51 ? 15  VAL   B CA  1 
ATOM   71   C C   . VAL   A 1 9   ? -15.556 -6.391  -26.170 1.00 17.26 ? 15  VAL   B C   1 
ATOM   72   O O   . VAL   A 1 9   ? -16.416 -6.234  -25.287 1.00 17.37 ? 15  VAL   B O   1 
ATOM   73   C CB  . VAL   A 1 9   ? -15.106 -8.821  -26.823 1.00 17.80 ? 15  VAL   B CB  1 
ATOM   74   C CG1 . VAL   A 1 9   ? -14.009 -9.858  -26.970 1.00 21.27 ? 15  VAL   B CG1 1 
ATOM   75   C CG2 . VAL   A 1 9   ? -16.308 -9.461  -26.161 1.00 19.29 ? 15  VAL   B CG2 1 
ATOM   76   N N   . HIS   A 1 10  ? -15.473 -5.614  -27.240 1.00 17.58 ? 16  HIS   B N   1 
ATOM   77   C CA  . HIS   A 1 10  ? -16.350 -4.447  -27.480 1.00 17.12 ? 16  HIS   B CA  1 
ATOM   78   C C   . HIS   A 1 10  ? -17.577 -4.931  -28.244 1.00 17.19 ? 16  HIS   B C   1 
ATOM   79   O O   . HIS   A 1 10  ? -17.478 -5.270  -29.403 1.00 21.37 ? 16  HIS   B O   1 
ATOM   80   C CB  . HIS   A 1 10  ? -15.600 -3.367  -28.260 1.00 18.33 ? 16  HIS   B CB  1 
ATOM   81   C CG  . HIS   A 1 10  ? -16.374 -2.104  -28.438 1.00 22.46 ? 16  HIS   B CG  1 
ATOM   82   N ND1 . HIS   A 1 10  ? -16.495 -1.165  -27.446 1.00 25.75 ? 16  HIS   B ND1 1 
ATOM   83   C CD2 . HIS   A 1 10  ? -17.103 -1.664  -29.483 1.00 25.70 ? 16  HIS   B CD2 1 
ATOM   84   C CE1 . HIS   A 1 10  ? -17.230 -0.154  -27.891 1.00 24.10 ? 16  HIS   B CE1 1 
ATOM   85   N NE2 . HIS   A 1 10  ? -17.620 -0.444  -29.145 1.00 28.29 ? 16  HIS   B NE2 1 
ATOM   86   N N   . ILE   A 1 11  ? -18.689 -5.089  -27.546 1.00 14.07 ? 17  ILE   B N   1 
ATOM   87   C CA  . ILE   A 1 11  ? -19.940 -5.572  -28.175 1.00 13.70 ? 17  ILE   B CA  1 
ATOM   88   C C   . ILE   A 1 11  ? -20.747 -4.367  -28.701 1.00 13.81 ? 17  ILE   B C   1 
ATOM   89   O O   . ILE   A 1 11  ? -20.806 -3.360  -28.025 1.00 13.99 ? 17  ILE   B O   1 
ATOM   90   C CB  . ILE   A 1 11  ? -20.752 -6.399  -27.158 1.00 13.51 ? 17  ILE   B CB  1 
ATOM   91   C CG1 . ILE   A 1 11  ? -19.937 -7.603  -26.662 1.00 14.93 ? 17  ILE   B CG1 1 
ATOM   92   C CG2 . ILE   A 1 11  ? -22.099 -6.814  -27.754 1.00 13.68 ? 17  ILE   B CG2 1 
ATOM   93   C CD1 . ILE   A 1 11  ? -19.394 -8.521  -27.749 1.00 14.60 ? 17  ILE   B CD1 1 
ATOM   94   N N   . THR   A 1 12  ? -21.349 -4.557  -29.854 1.00 13.24 ? 18  THR   B N   1 
ATOM   95   C CA  . THR   A 1 12  ? -22.337 -3.583  -30.395 1.00 14.52 ? 18  THR   B CA  1 
ATOM   96   C C   . THR   A 1 12  ? -23.595 -4.338  -30.797 1.00 14.88 ? 18  THR   B C   1 
ATOM   97   O O   . THR   A 1 12  ? -23.541 -5.557  -31.074 1.00 15.66 ? 18  THR   B O   1 
ATOM   98   C CB  . THR   A 1 12  ? -21.762 -2.792  -31.574 1.00 15.62 ? 18  THR   B CB  1 
ATOM   99   O OG1 . THR   A 1 12  ? -21.409 -3.675  -32.621 1.00 18.50 ? 18  THR   B OG1 1 
ATOM   100  C CG2 . THR   A 1 12  ? -20.596 -1.900  -31.184 1.00 17.63 ? 18  THR   B CG2 1 
ATOM   101  N N   . LEU   A 1 13  ? -24.736 -3.637  -30.765 1.00 12.88 ? 19  LEU   B N   1 
ATOM   102  C CA  . LEU   A 1 13  ? -26.033 -4.290  -31.050 1.00 13.15 ? 19  LEU   B CA  1 
ATOM   103  C C   . LEU   A 1 13  ? -26.307 -4.280  -32.548 1.00 12.72 ? 19  LEU   B C   1 
ATOM   104  O O   . LEU   A 1 13  ? -25.990 -3.257  -33.227 1.00 14.78 ? 19  LEU   B O   1 
ATOM   105  C CB  . LEU   A 1 13  ? -27.106 -3.550  -30.278 1.00 13.09 ? 19  LEU   B CB  1 
ATOM   106  C CG  . LEU   A 1 13  ? -26.907 -3.631  -28.780 1.00 12.56 ? 19  LEU   B CG  1 
ATOM   107  C CD1 . LEU   A 1 13  ? -27.882 -2.710  -28.057 1.00 14.58 ? 19  LEU   B CD1 1 
ATOM   108  C CD2 . LEU   A 1 13  ? -27.006 -5.081  -28.279 1.00 14.53 ? 19  LEU   B CD2 1 
ATOM   109  N N   . ASP   A 1 14  ? -26.896 -5.331  -33.052 1.00 11.67 ? 20  ASP   B N   1 
ATOM   110  C CA  . ASP   A 1 14  ? -27.256 -5.518  -34.475 1.00 12.18 ? 20  ASP   B CA  1 
ATOM   111  C C   . ASP   A 1 14  ? -28.750 -5.128  -34.658 1.00 13.28 ? 20  ASP   B C   1 
ATOM   112  O O   . ASP   A 1 14  ? -29.640 -5.914  -34.364 1.00 12.45 ? 20  ASP   B O   1 
ATOM   113  C CB  . ASP   A 1 14  ? -26.983 -6.939  -34.963 1.00 12.92 ? 20  ASP   B CB  1 
ATOM   114  C CG  . ASP   A 1 14  ? -27.242 -7.205  -36.429 1.00 16.96 ? 20  ASP   B CG  1 
ATOM   115  O OD1 . ASP   A 1 14  ? -27.920 -6.357  -37.049 1.00 17.31 ? 20  ASP   B OD1 1 
ATOM   116  O OD2 . ASP   A 1 14  ? -26.947 -8.340  -36.911 1.00 18.30 ? 20  ASP   B OD2 1 
ATOM   117  N N   A ARG   A 1 15  ? -28.958 -3.908  -35.177 0.25 14.09 ? 21  ARG   B N   1 
ATOM   118  N N   B ARG   A 1 15  ? -28.981 -3.915  -35.176 0.25 14.53 ? 21  ARG   B N   1 
ATOM   119  C CA  A ARG   A 1 15  ? -30.278 -3.276  -35.458 0.25 15.07 ? 21  ARG   B CA  1 
ATOM   120  C CA  B ARG   A 1 15  ? -30.334 -3.324  -35.373 0.25 15.70 ? 21  ARG   B CA  1 
ATOM   121  C C   A ARG   A 1 15  ? -31.188 -4.221  -36.237 0.25 14.78 ? 21  ARG   B C   1 
ATOM   122  C C   B ARG   A 1 15  ? -31.208 -4.231  -36.239 0.25 15.22 ? 21  ARG   B C   1 
ATOM   123  O O   A ARG   A 1 15  ? -32.409 -4.223  -35.980 0.25 14.49 ? 21  ARG   B O   1 
ATOM   124  O O   B ARG   A 1 15  ? -32.437 -4.246  -36.028 0.25 14.78 ? 21  ARG   B O   1 
ATOM   125  C CB  A ARG   A 1 15  ? -30.099 -2.014  -36.315 0.25 16.47 ? 21  ARG   B CB  1 
ATOM   126  C CB  B ARG   A 1 15  ? -30.233 -1.942  -36.033 0.25 18.10 ? 21  ARG   B CB  1 
ATOM   127  C CG  A ARG   A 1 15  ? -29.203 -0.962  -35.682 0.25 18.34 ? 21  ARG   B CG  1 
ATOM   128  C CG  B ARG   A 1 15  ? -29.884 -0.822  -35.066 0.25 20.38 ? 21  ARG   B CG  1 
ATOM   129  C CD  A ARG   A 1 15  ? -29.118 0.308   -36.513 0.25 19.13 ? 21  ARG   B CD  1 
ATOM   130  C CD  B ARG   A 1 15  ? -28.474 -0.285  -35.234 0.25 23.34 ? 21  ARG   B CD  1 
ATOM   131  N NE  A ARG   A 1 15  ? -28.650 1.391   -35.668 0.25 20.12 ? 21  ARG   B NE  1 
ATOM   132  N NE  B ARG   A 1 15  ? -28.317 0.670   -36.333 0.25 25.47 ? 21  ARG   B NE  1 
ATOM   133  C CZ  A ARG   A 1 15  ? -29.407 1.988   -34.765 0.25 20.14 ? 21  ARG   B CZ  1 
ATOM   134  C CZ  B ARG   A 1 15  ? -27.690 0.423   -37.482 0.25 28.28 ? 21  ARG   B CZ  1 
ATOM   135  N NH1 A ARG   A 1 15  ? -30.668 1.623   -34.644 0.25 20.83 ? 21  ARG   B NH1 1 
ATOM   136  N NH1 B ARG   A 1 15  ? -27.156 -0.761  -37.721 0.25 30.46 ? 21  ARG   B NH1 1 
ATOM   137  N NH2 A ARG   A 1 15  ? -28.910 2.948   -34.006 0.25 21.05 ? 21  ARG   B NH2 1 
ATOM   138  N NH2 B ARG   A 1 15  ? -27.602 1.368   -38.401 0.25 29.89 ? 21  ARG   B NH2 1 
ATOM   139  N N   . ASN   A 1 16  ? -30.623 -4.958  -37.191 1.00 14.35 ? 22  ASN   B N   1 
ATOM   140  C CA  . ASN   A 1 16  ? -31.414 -5.805  -38.085 1.00 15.25 ? 22  ASN   B CA  1 
ATOM   141  C C   . ASN   A 1 16  ? -32.112 -6.949  -37.358 1.00 13.81 ? 22  ASN   B C   1 
ATOM   142  O O   . ASN   A 1 16  ? -33.109 -7.465  -37.834 1.00 13.68 ? 22  ASN   B O   1 
ATOM   143  C CB  . ASN   A 1 16  ? -30.560 -6.286  -39.257 1.00 18.59 ? 22  ASN   B CB  1 
ATOM   144  C CG  . ASN   A 1 16  ? -30.353 -5.177  -40.267 1.00 25.03 ? 22  ASN   B CG  1 
ATOM   145  O OD1 . ASN   A 1 16  ? -31.125 -4.219  -40.320 1.00 30.87 ? 22  ASN   B OD1 1 
ATOM   146  N ND2 . ASN   A 1 16  ? -29.286 -5.281  -41.033 1.00 35.66 ? 22  ASN   B ND2 1 
ATOM   147  N N   . THR   A 1 17  ? -31.575 -7.361  -36.191 1.00 11.64 ? 23  THR   B N   1 
ATOM   148  C CA  . THR   A 1 17  ? -32.105 -8.477  -35.403 1.00 11.61 ? 23  THR   B CA  1 
ATOM   149  C C   . THR   A 1 17  ? -33.149 -8.001  -34.385 1.00 10.82 ? 23  THR   B C   1 
ATOM   150  O O   . THR   A 1 17  ? -33.817 -8.834  -33.783 1.00 11.17 ? 23  THR   B O   1 
ATOM   151  C CB  . THR   A 1 17  ? -31.001 -9.256  -34.660 1.00 11.85 ? 23  THR   B CB  1 
ATOM   152  O OG1 . THR   A 1 17  ? -30.441 -8.451  -33.615 1.00 11.73 ? 23  THR   B OG1 1 
ATOM   153  C CG2 . THR   A 1 17  ? -29.946 -9.821  -35.603 1.00 12.66 ? 23  THR   B CG2 1 
ATOM   154  N N   . ALA   A 1 18  ? -33.220 -6.715  -34.170 1.00 10.81 ? 24  ALA   B N   1 
ATOM   155  C CA  . ALA   A 1 18  ? -34.044 -6.152  -33.074 1.00 11.00 ? 24  ALA   B CA  1 
ATOM   156  C C   . ALA   A 1 18  ? -35.534 -6.356  -33.331 1.00 11.19 ? 24  ALA   B C   1 
ATOM   157  O O   . ALA   A 1 18  ? -36.023 -6.081  -34.447 1.00 12.45 ? 24  ALA   B O   1 
ATOM   158  C CB  . ALA   A 1 18  ? -33.747 -4.694  -32.907 1.00 11.56 ? 24  ALA   B CB  1 
ATOM   159  N N   . ASN   A 1 19  ? -36.273 -6.690  -32.316 1.00 11.10 ? 25  ASN   B N   1 
ATOM   160  C CA  . ASN   A 1 19  ? -37.727 -6.487  -32.346 1.00 10.66 ? 25  ASN   B CA  1 
ATOM   161  C C   . ASN   A 1 19  ? -38.025 -5.048  -32.793 1.00 10.06 ? 25  ASN   B C   1 
ATOM   162  O O   . ASN   A 1 19  ? -37.329 -4.094  -32.442 1.00 10.27 ? 25  ASN   B O   1 
ATOM   163  C CB  . ASN   A 1 19  ? -38.273 -6.818  -30.970 1.00 11.38 ? 25  ASN   B CB  1 
ATOM   164  C CG  . ASN   A 1 19  ? -39.747 -6.550  -30.869 1.00 13.06 ? 25  ASN   B CG  1 
ATOM   165  O OD1 . ASN   A 1 19  ? -40.192 -5.436  -30.593 1.00 13.23 ? 25  ASN   B OD1 1 
ATOM   166  N ND2 . ASN   A 1 19  ? -40.500 -7.575  -31.104 1.00 15.90 ? 25  ASN   B ND2 1 
ATOM   167  N N   . SER   A 1 20  ? -39.123 -4.898  -33.527 1.00 10.16 ? 26  SER   B N   1 
ATOM   168  C CA  . SER   A 1 20  ? -39.488 -3.623  -34.177 1.00 11.12 ? 26  SER   B CA  1 
ATOM   169  C C   . SER   A 1 20  ? -39.890 -2.552  -33.165 1.00 10.87 ? 26  SER   B C   1 
ATOM   170  O O   . SER   A 1 20  ? -39.978 -1.383  -33.638 1.00 11.87 ? 26  SER   B O   1 
ATOM   171  C CB  . SER   A 1 20  ? -40.610 -3.845  -35.161 1.00 12.28 ? 26  SER   B CB  1 
ATOM   172  O OG  . SER   A 1 20  ? -41.731 -4.339  -34.459 1.00 14.22 ? 26  SER   B OG  1 
ATOM   173  N N   . TRP   A 1 21  ? -40.076 -2.820  -31.878 1.00 9.45  ? 27  TRP   B N   1 
ATOM   174  C CA  . TRP   A 1 21  ? -40.376 -1.770  -30.886 1.00 10.56 ? 27  TRP   B CA  1 
ATOM   175  C C   . TRP   A 1 21  ? -39.115 -1.269  -30.186 1.00 10.69 ? 27  TRP   B C   1 
ATOM   176  O O   . TRP   A 1 21  ? -39.233 -0.379  -29.356 1.00 11.47 ? 27  TRP   B O   1 
ATOM   177  C CB  . TRP   A 1 21  ? -41.373 -2.308  -29.891 1.00 11.12 ? 27  TRP   B CB  1 
ATOM   178  C CG  . TRP   A 1 21  ? -42.780 -2.398  -30.422 1.00 11.67 ? 27  TRP   B CG  1 
ATOM   179  C CD1 . TRP   A 1 21  ? -43.182 -2.913  -31.616 1.00 11.35 ? 27  TRP   B CD1 1 
ATOM   180  C CD2 . TRP   A 1 21  ? -43.957 -1.990  -29.735 1.00 12.95 ? 27  TRP   B CD2 1 
ATOM   181  N NE1 . TRP   A 1 21  ? -44.555 -2.820  -31.727 1.00 13.48 ? 27  TRP   B NE1 1 
ATOM   182  C CE2 . TRP   A 1 21  ? -45.037 -2.298  -30.582 1.00 12.83 ? 27  TRP   B CE2 1 
ATOM   183  C CE3 . TRP   A 1 21  ? -44.188 -1.392  -28.496 1.00 15.22 ? 27  TRP   B CE3 1 
ATOM   184  C CZ2 . TRP   A 1 21  ? -46.365 -2.013  -30.208 1.00 15.36 ? 27  TRP   B CZ2 1 
ATOM   185  C CZ3 . TRP   A 1 21  ? -45.498 -1.130  -28.127 1.00 17.49 ? 27  TRP   B CZ3 1 
ATOM   186  C CH2 . TRP   A 1 21  ? -46.560 -1.473  -28.956 1.00 17.51 ? 27  TRP   B CH2 1 
ATOM   187  N N   . LEU   A 1 22  ? -37.944 -1.866  -30.487 1.00 10.23 ? 28  LEU   B N   1 
ATOM   188  C CA  . LEU   A 1 22  ? -36.713 -1.472  -29.766 1.00 10.81 ? 28  LEU   B CA  1 
ATOM   189  C C   . LEU   A 1 22  ? -36.130 -0.193  -30.376 1.00 10.62 ? 28  LEU   B C   1 
ATOM   190  O O   . LEU   A 1 22  ? -36.139 0.001   -31.591 1.00 11.71 ? 28  LEU   B O   1 
ATOM   191  C CB  . LEU   A 1 22  ? -35.679 -2.599  -29.757 1.00 10.14 ? 28  LEU   B CB  1 
ATOM   192  C CG  . LEU   A 1 22  ? -36.117 -3.858  -29.029 1.00 11.00 ? 28  LEU   B CG  1 
ATOM   193  C CD1 . LEU   A 1 22  ? -35.004 -4.884  -29.036 1.00 11.44 ? 28  LEU   B CD1 1 
ATOM   194  C CD2 . LEU   A 1 22  ? -36.557 -3.615  -27.628 1.00 12.32 ? 28  LEU   B CD2 1 
ATOM   195  N N   . ILE   A 1 23  ? -35.487 0.548   -29.516 1.00 10.29 ? 29  ILE   B N   1 
ATOM   196  C CA  . ILE   A 1 23  ? -34.707 1.758   -29.876 1.00 11.58 ? 29  ILE   B CA  1 
ATOM   197  C C   . ILE   A 1 23  ? -33.265 1.536   -29.436 1.00 12.01 ? 29  ILE   B C   1 
ATOM   198  O O   . ILE   A 1 23  ? -33.004 1.432   -28.211 1.00 11.87 ? 29  ILE   B O   1 
ATOM   199  C CB  . ILE   A 1 23  ? -35.277 3.005   -29.239 1.00 12.17 ? 29  ILE   B CB  1 
ATOM   200  C CG1 . ILE   A 1 23  ? -36.756 3.258   -29.627 1.00 12.40 ? 29  ILE   B CG1 1 
ATOM   201  C CG2 . ILE   A 1 23  ? -34.411 4.241   -29.585 1.00 14.01 ? 29  ILE   B CG2 1 
ATOM   202  C CD1 . ILE   A 1 23  ? -37.421 4.333   -28.850 1.00 14.36 ? 29  ILE   B CD1 1 
ATOM   203  N N   . ILE   A 1 24  ? -32.397 1.450   -30.427 1.00 14.26 ? 30  ILE   B N   1 
ATOM   204  C CA  . ILE   A 1 24  ? -30.940 1.266   -30.195 1.00 14.44 ? 30  ILE   B CA  1 
ATOM   205  C C   . ILE   A 1 24  ? -30.231 2.598   -30.353 1.00 15.47 ? 30  ILE   B C   1 
ATOM   206  O O   . ILE   A 1 24  ? -30.514 3.363   -31.330 1.00 16.17 ? 30  ILE   B O   1 
ATOM   207  C CB  . ILE   A 1 24  ? -30.410 0.209   -31.139 1.00 14.93 ? 30  ILE   B CB  1 
ATOM   208  C CG1 . ILE   A 1 24  ? -30.975 -1.155  -30.794 1.00 18.16 ? 30  ILE   B CG1 1 
ATOM   209  C CG2 . ILE   A 1 24  ? -28.885 0.138   -31.112 1.00 15.64 ? 30  ILE   B CG2 1 
ATOM   210  C CD1 . ILE   A 1 24  ? -30.757 -2.132  -31.791 1.00 20.33 ? 30  ILE   B CD1 1 
ATOM   211  N N   . SER   A 1 25  ? -29.364 2.969   -29.446 1.00 14.81 ? 31  SER   B N   1 
ATOM   212  C CA  . SER   A 1 25  ? -28.666 4.258   -29.491 1.00 15.49 ? 31  SER   B CA  1 
ATOM   213  C C   . SER   A 1 25  ? -27.744 4.335   -30.720 1.00 14.22 ? 31  SER   B C   1 
ATOM   214  O O   . SER   A 1 25  ? -27.359 3.344   -31.296 1.00 14.25 ? 31  SER   B O   1 
ATOM   215  C CB  . SER   A 1 25  ? -27.941 4.435   -28.211 1.00 15.98 ? 31  SER   B CB  1 
ATOM   216  O OG  . SER   A 1 25  ? -26.957 3.402   -28.050 1.00 15.34 ? 31  SER   B OG  1 
ATOM   217  N N   . LYS   A 1 26  ? -27.356 5.578   -31.046 1.00 17.47 ? 32  LYS   B N   1 
ATOM   218  C CA  . LYS   A 1 26  ? -26.444 5.858   -32.184 1.00 17.50 ? 32  LYS   B CA  1 
ATOM   219  C C   . LYS   A 1 26  ? -25.158 5.029   -32.082 1.00 16.04 ? 32  LYS   B C   1 
ATOM   220  O O   . LYS   A 1 26  ? -24.705 4.543   -33.101 1.00 18.17 ? 32  LYS   B O   1 
ATOM   221  C CB  . LYS   A 1 26  ? -26.072 7.349   -32.201 1.00 20.21 ? 32  LYS   B CB  1 
ATOM   222  C CG  . LYS   A 1 26  ? -25.139 7.737   -33.321 1.00 22.59 ? 32  LYS   B CG  1 
ATOM   223  C CD  . LYS   A 1 26  ? -25.308 9.175   -33.650 1.00 24.37 ? 32  LYS   B CD  1 
ATOM   224  C CE  . LYS   A 1 26  ? -25.219 10.014  -32.408 1.00 28.88 ? 32  LYS   B CE  1 
ATOM   225  N NZ  . LYS   A 1 26  ? -25.298 11.425  -32.803 1.00 31.04 ? 32  LYS   B NZ  1 
ATOM   226  N N   . ASP   A 1 27  ? -24.585 4.937   -30.885 1.00 16.48 ? 33  ASP   B N   1 
ATOM   227  C CA  . ASP   A 1 27  ? -23.314 4.184   -30.680 1.00 15.61 ? 33  ASP   B CA  1 
ATOM   228  C C   . ASP   A 1 27  ? -23.560 2.663   -30.669 1.00 14.53 ? 33  ASP   B C   1 
ATOM   229  O O   . ASP   A 1 27  ? -22.558 1.930   -30.580 1.00 15.23 ? 33  ASP   B O   1 
ATOM   230  C CB  . ASP   A 1 27  ? -22.563 4.666   -29.439 1.00 17.83 ? 33  ASP   B CB  1 
ATOM   231  C CG  . ASP   A 1 27  ? -23.239 4.414   -28.107 1.00 17.62 ? 33  ASP   B CG  1 
ATOM   232  O OD1 . ASP   A 1 27  ? -24.345 3.769   -28.107 1.00 17.85 ? 33  ASP   B OD1 1 
ATOM   233  O OD2 . ASP   A 1 27  ? -22.647 4.820   -27.087 1.00 19.94 ? 33  ASP   B OD2 1 
ATOM   234  N N   . ARG   A 1 28  ? -24.790 2.176   -30.806 1.00 13.27 ? 34  ARG   B N   1 
ATOM   235  C CA  . ARG   A 1 28  ? -25.157 0.751   -30.792 1.00 13.53 ? 34  ARG   B CA  1 
ATOM   236  C C   . ARG   A 1 28  ? -24.705 0.096   -29.477 1.00 11.68 ? 34  ARG   B C   1 
ATOM   237  O O   . ARG   A 1 28  ? -24.540 -1.151  -29.481 1.00 12.97 ? 34  ARG   B O   1 
ATOM   238  C CB  . ARG   A 1 28  ? -24.641 0.052   -32.053 1.00 17.27 ? 34  ARG   B CB  1 
ATOM   239  C CG  . ARG   A 1 28  ? -25.216 0.645   -33.339 1.00 21.56 ? 34  ARG   B CG  1 
ATOM   240  C CD  . ARG   A 1 28  ? -24.864 -0.064  -34.612 1.00 28.15 ? 34  ARG   B CD  1 
ATOM   241  N NE  . ARG   A 1 28  ? -23.448 -0.314  -34.803 1.00 35.11 ? 34  ARG   B NE  1 
ATOM   242  C CZ  . ARG   A 1 28  ? -22.815 -1.507  -34.716 1.00 45.26 ? 34  ARG   B CZ  1 
ATOM   243  N NH1 . ARG   A 1 28  ? -23.445 -2.649  -34.425 1.00 36.16 ? 34  ARG   B NH1 1 
ATOM   244  N NH2 . ARG   A 1 28  ? -21.507 -1.546  -34.941 1.00 51.96 ? 34  ARG   B NH2 1 
ATOM   245  N N   . ARG   A 1 29  ? -24.675 0.816   -28.405 1.00 10.97 ? 35  ARG   B N   1 
ATOM   246  C CA  . ARG   A 1 29  ? -24.293 0.287   -27.080 1.00 12.76 ? 35  ARG   B CA  1 
ATOM   247  C C   . ARG   A 1 29  ? -25.439 0.266   -26.081 1.00 12.35 ? 35  ARG   B C   1 
ATOM   248  O O   . ARG   A 1 29  ? -25.267 -0.298  -24.985 1.00 13.50 ? 35  ARG   B O   1 
ATOM   249  C CB  . ARG   A 1 29  ? -23.118 1.078   -26.493 1.00 13.35 ? 35  ARG   B CB  1 
ATOM   250  C CG  . ARG   A 1 29  ? -21.867 1.008   -27.363 1.00 15.60 ? 35  ARG   B CG  1 
ATOM   251  C CD  . ARG   A 1 29  ? -21.016 -0.211  -27.141 1.00 16.25 ? 35  ARG   B CD  1 
ATOM   252  N NE  . ARG   A 1 29  ? -20.266 -0.055  -25.894 1.00 17.75 ? 35  ARG   B NE  1 
ATOM   253  C CZ  . ARG   A 1 29  ? -19.524 -1.004  -25.305 1.00 17.14 ? 35  ARG   B CZ  1 
ATOM   254  N NH1 . ARG   A 1 29  ? -19.430 -2.186  -25.847 1.00 16.95 ? 35  ARG   B NH1 1 
ATOM   255  N NH2 . ARG   A 1 29  ? -18.898 -0.741  -24.183 1.00 18.77 ? 35  ARG   B NH2 1 
ATOM   256  N N   . GLN   A 1 30  ? -26.584 0.867   -26.378 1.00 11.46 ? 36  GLN   B N   1 
ATOM   257  C CA  . GLN   A 1 30  ? -27.754 0.888   -25.499 1.00 12.22 ? 36  GLN   B CA  1 
ATOM   258  C C   . GLN   A 1 30  ? -29.017 0.512   -26.253 1.00 11.76 ? 36  GLN   B C   1 
ATOM   259  O O   . GLN   A 1 30  ? -29.123 0.768   -27.461 1.00 12.41 ? 36  GLN   B O   1 
ATOM   260  C CB  . GLN   A 1 30  ? -27.971 2.286   -24.920 1.00 14.44 ? 36  GLN   B CB  1 
ATOM   261  C CG  . GLN   A 1 30  ? -26.724 2.899   -24.311 1.00 17.01 ? 36  GLN   B CG  1 
ATOM   262  C CD  . GLN   A 1 30  ? -27.066 4.128   -23.499 1.00 21.28 ? 36  GLN   B CD  1 
ATOM   263  O OE1 . GLN   A 1 30  ? -28.223 4.363   -23.117 1.00 24.13 ? 36  GLN   B OE1 1 
ATOM   264  N NE2 . GLN   A 1 30  ? -26.072 4.959   -23.279 1.00 25.63 ? 36  GLN   B NE2 1 
ATOM   265  N N   . VAL   A 1 31  ? -29.952 -0.101  -25.547 1.00 11.21 ? 37  VAL   B N   1 
ATOM   266  C CA  . VAL   A 1 31  ? -31.232 -0.503  -26.160 1.00 10.76 ? 37  VAL   B CA  1 
ATOM   267  C C   . VAL   A 1 31  ? -32.318 -0.359  -25.110 1.00 11.03 ? 37  VAL   B C   1 
ATOM   268  O O   . VAL   A 1 31  ? -32.144 -0.727  -23.946 1.00 10.68 ? 37  VAL   B O   1 
ATOM   269  C CB  . VAL   A 1 31  ? -31.166 -1.900  -26.769 1.00 10.37 ? 37  VAL   B CB  1 
ATOM   270  C CG1 . VAL   A 1 31  ? -30.767 -2.975  -25.755 1.00 10.46 ? 37  VAL   B CG1 1 
ATOM   271  C CG2 . VAL   A 1 31  ? -32.488 -2.274  -27.417 1.00 10.88 ? 37  VAL   B CG2 1 
ATOM   272  N N   . ARG   A 1 32  ? -33.460 0.178   -25.506 1.00 10.84 ? 38  ARG   B N   1 
ATOM   273  C CA  . ARG   A 1 32  ? -34.669 0.223   -24.662 1.00 11.13 ? 38  ARG   B CA  1 
ATOM   274  C C   . ARG   A 1 32  ? -35.925 -0.080  -25.494 1.00 10.55 ? 38  ARG   B C   1 
ATOM   275  O O   . ARG   A 1 32  ? -35.913 -0.007  -26.712 1.00 10.28 ? 38  ARG   B O   1 
ATOM   276  C CB  . ARG   A 1 32  ? -34.795 1.584   -23.980 1.00 12.34 ? 38  ARG   B CB  1 
ATOM   277  C CG  . ARG   A 1 32  ? -35.078 2.716   -24.943 1.00 14.42 ? 38  ARG   B CG  1 
ATOM   278  C CD  . ARG   A 1 32  ? -35.010 4.040   -24.187 1.00 16.94 ? 38  ARG   B CD  1 
ATOM   279  N NE  . ARG   A 1 32  ? -35.274 5.159   -25.069 1.00 21.19 ? 38  ARG   B NE  1 
ATOM   280  C CZ  . ARG   A 1 32  ? -36.461 5.652   -25.348 1.00 18.54 ? 38  ARG   B CZ  1 
ATOM   281  N NH1 . ARG   A 1 32  ? -37.571 5.136   -24.871 1.00 21.27 ? 38  ARG   B NH1 1 
ATOM   282  N NH2 . ARG   A 1 32  ? -36.511 6.708   -26.175 1.00 23.22 ? 38  ARG   B NH2 1 
ATOM   283  N N   A MET   A 1 33  ? -36.973 -0.380  -24.731 0.39 10.87 ? 39  MET   B N   1 
ATOM   284  N N   B MET   A 1 33  ? -36.994 -0.521  -24.831 0.34 11.25 ? 39  MET   B N   1 
ATOM   285  C CA  A MET   A 1 33  ? -38.342 -0.637  -25.238 0.39 11.84 ? 39  MET   B CA  1 
ATOM   286  C CA  B MET   A 1 33  ? -38.275 -0.801  -25.547 0.34 11.77 ? 39  MET   B CA  1 
ATOM   287  C C   A MET   A 1 33  ? -38.994 0.710   -25.597 0.39 11.57 ? 39  MET   B C   1 
ATOM   288  C C   B MET   A 1 33  ? -39.079 0.499   -25.606 0.34 11.70 ? 39  MET   B C   1 
ATOM   289  O O   A MET   A 1 33  ? -39.046 1.612   -24.760 0.39 12.91 ? 39  MET   B O   1 
ATOM   290  O O   B MET   A 1 33  ? -39.404 1.042   -24.506 0.34 10.62 ? 39  MET   B O   1 
ATOM   291  C CB  A MET   A 1 33  ? -39.137 -1.385  -24.158 0.39 12.29 ? 39  MET   B CB  1 
ATOM   292  C CB  B MET   A 1 33  ? -39.132 -1.898  -24.901 0.34 13.32 ? 39  MET   B CB  1 
ATOM   293  C CG  A MET   A 1 33  ? -40.513 -1.855  -24.608 0.39 14.02 ? 39  MET   B CG  1 
ATOM   294  C CG  B MET   A 1 33  ? -40.489 -2.122  -25.654 0.34 14.07 ? 39  MET   B CG  1 
ATOM   295  S SD  A MET   A 1 33  ? -40.442 -2.846  -26.145 0.39 17.80 ? 39  MET   B SD  1 
ATOM   296  S SD  B MET   A 1 33  ? -41.280 -3.608  -24.988 0.34 15.20 ? 39  MET   B SD  1 
ATOM   297  C CE  A MET   A 1 33  ? -41.951 -3.796  -26.041 0.39 16.61 ? 39  MET   B CE  1 
ATOM   298  C CE  B MET   A 1 33  ? -42.628 -3.736  -26.164 0.34 15.74 ? 39  MET   B CE  1 
ATOM   299  N N   . GLY   A 1 34  ? -39.363 0.895   -26.855 1.00 11.91 ? 40  GLY   B N   1 
ATOM   300  C CA  . GLY   A 1 34  ? -40.176 2.076   -27.189 1.00 13.73 ? 40  GLY   B CA  1 
ATOM   301  C C   . GLY   A 1 34  ? -41.633 1.854   -26.835 1.00 14.09 ? 40  GLY   B C   1 
ATOM   302  O O   . GLY   A 1 34  ? -42.039 0.758   -26.407 1.00 14.23 ? 40  GLY   B O   1 
ATOM   303  N N   . ASP   A 1 35  ? -42.412 2.942   -26.856 1.00 16.95 ? 41  ASP   B N   1 
ATOM   304  C CA  . ASP   A 1 35  ? -43.863 2.852   -26.486 1.00 19.18 ? 41  ASP   B CA  1 
ATOM   305  C C   . ASP   A 1 35  ? -44.691 2.488   -27.741 1.00 17.97 ? 41  ASP   B C   1 
ATOM   306  O O   . ASP   A 1 35  ? -45.931 2.339   -27.591 1.00 18.90 ? 41  ASP   B O   1 
ATOM   307  C CB  . ASP   A 1 35  ? -44.348 4.106   -25.714 1.00 23.63 ? 41  ASP   B CB  1 
ATOM   308  C CG  . ASP   A 1 35  ? -43.875 4.242   -24.248 1.00 29.92 ? 41  ASP   B CG  1 
ATOM   309  O OD1 . ASP   A 1 35  ? -43.676 3.205   -23.566 1.00 33.45 ? 41  ASP   B OD1 1 
ATOM   310  O OD2 . ASP   A 1 35  ? -43.770 5.394   -23.755 1.00 32.36 ? 41  ASP   B OD2 1 
ATOM   311  N N   . THR   A 1 36  ? -44.086 2.238   -28.895 1.00 15.26 ? 42  THR   B N   1 
ATOM   312  C CA  . THR   A 1 36  ? -44.780 1.909   -30.171 1.00 15.18 ? 42  THR   B CA  1 
ATOM   313  C C   . THR   A 1 36  ? -43.836 1.221   -31.151 1.00 13.02 ? 42  THR   B C   1 
ATOM   314  O O   . THR   A 1 36  ? -42.553 1.212   -30.936 1.00 12.49 ? 42  THR   B O   1 
ATOM   315  C CB  . THR   A 1 36  ? -45.331 3.244   -30.657 1.00 16.89 ? 42  THR   B CB  1 
ATOM   316  O OG1 . THR   A 1 36  ? -46.252 2.962   -31.682 1.00 17.97 ? 42  THR   B OG1 1 
ATOM   317  C CG2 . THR   A 1 36  ? -44.245 4.177   -31.146 1.00 18.79 ? 42  THR   B CG2 1 
ATOM   318  N N   . HIS   A 1 37  ? -44.330 0.773   -32.296 1.00 13.02 ? 43  HIS   B N   1 
ATOM   319  C CA  . HIS   A 1 37  ? -43.506 0.292   -33.427 1.00 12.32 ? 43  HIS   B CA  1 
ATOM   320  C C   . HIS   A 1 37  ? -42.561 1.399   -33.876 1.00 12.52 ? 43  HIS   B C   1 
ATOM   321  O O   . HIS   A 1 37  ? -43.022 2.567   -34.072 1.00 12.90 ? 43  HIS   B O   1 
ATOM   322  C CB  . HIS   A 1 37  ? -44.443 -0.192  -34.542 1.00 11.72 ? 43  HIS   B CB  1 
ATOM   323  C CG  . HIS   A 1 37  ? -43.840 -0.838  -35.718 1.00 12.01 ? 43  HIS   B CG  1 
ATOM   324  N ND1 . HIS   A 1 37  ? -43.034 -0.174  -36.638 1.00 11.87 ? 43  HIS   B ND1 1 
ATOM   325  C CD2 . HIS   A 1 37  ? -43.967 -2.117  -36.169 1.00 11.83 ? 43  HIS   B CD2 1 
ATOM   326  C CE1 . HIS   A 1 37  ? -42.715 -1.022  -37.590 1.00 11.95 ? 43  HIS   B CE1 1 
ATOM   327  N NE2 . HIS   A 1 37  ? -43.268 -2.263  -37.318 1.00 11.90 ? 43  HIS   B NE2 1 
ATOM   328  N N   . GLN   A 1 38  ? -41.291 1.083   -34.121 1.00 11.27 ? 44  GLN   B N   1 
ATOM   329  C CA  . GLN   A 1 38  ? -40.251 2.094   -34.399 1.00 10.81 ? 44  GLN   B CA  1 
ATOM   330  C C   . GLN   A 1 38  ? -40.071 2.354   -35.897 1.00 12.14 ? 44  GLN   B C   1 
ATOM   331  O O   . GLN   A 1 38  ? -39.045 2.962   -36.289 1.00 13.49 ? 44  GLN   B O   1 
ATOM   332  C CB  . GLN   A 1 38  ? -38.947 1.709   -33.676 1.00 10.93 ? 44  GLN   B CB  1 
ATOM   333  C CG  . GLN   A 1 38  ? -39.106 1.780   -32.187 1.00 11.73 ? 44  GLN   B CG  1 
ATOM   334  C CD  . GLN   A 1 38  ? -39.577 3.107   -31.673 1.00 11.87 ? 44  GLN   B CD  1 
ATOM   335  O OE1 . GLN   A 1 38  ? -40.519 3.230   -30.876 1.00 15.53 ? 44  GLN   B OE1 1 
ATOM   336  N NE2 . GLN   A 1 38  ? -38.941 4.164   -32.119 1.00 11.45 ? 44  GLN   B NE2 1 
ATOM   337  N N   . ASN   A 1 39  ? -41.032 1.963   -36.729 1.00 11.89 ? 45  ASN   B N   1 
ATOM   338  C CA  . ASN   A 1 39  ? -41.112 2.434   -38.137 1.00 11.58 ? 45  ASN   B CA  1 
ATOM   339  C C   . ASN   A 1 39  ? -40.008 1.847   -38.987 1.00 12.95 ? 45  ASN   B C   1 
ATOM   340  O O   . ASN   A 1 39  ? -39.578 2.456   -39.975 1.00 14.50 ? 45  ASN   B O   1 
ATOM   341  C CB  . ASN   A 1 39  ? -41.123 3.974   -38.269 1.00 11.76 ? 45  ASN   B CB  1 
ATOM   342  C CG  . ASN   A 1 39  ? -41.802 4.418   -39.557 1.00 11.94 ? 45  ASN   B CG  1 
ATOM   343  O OD1 . ASN   A 1 39  ? -42.686 3.741   -40.089 1.00 11.48 ? 45  ASN   B OD1 1 
ATOM   344  N ND2 . ASN   A 1 39  ? -41.368 5.562   -40.110 1.00 12.36 ? 45  ASN   B ND2 1 
ATOM   345  N N   . VAL   A 1 40  ? -39.650 0.605   -38.717 1.00 14.13 ? 46  VAL   B N   1 
ATOM   346  C CA  . VAL   A 1 40  ? -38.698 -0.218  -39.510 1.00 14.53 ? 46  VAL   B CA  1 
ATOM   347  C C   . VAL   A 1 40  ? -39.467 -1.266  -40.334 1.00 13.95 ? 46  VAL   B C   1 
ATOM   348  O O   . VAL   A 1 40  ? -40.520 -1.702  -39.910 1.00 14.06 ? 46  VAL   B O   1 
ATOM   349  C CB  . VAL   A 1 40  ? -37.645 -0.909  -38.611 1.00 16.15 ? 46  VAL   B CB  1 
ATOM   350  C CG1 . VAL   A 1 40  ? -36.723 0.120   -37.955 1.00 18.85 ? 46  VAL   B CG1 1 
ATOM   351  C CG2 . VAL   A 1 40  ? -38.267 -1.801  -37.556 1.00 17.20 ? 46  VAL   B CG2 1 
ATOM   352  N N   . SER   A 1 41  ? -38.903 -1.710  -41.452 1.00 15.92 ? 47  SER   B N   1 
ATOM   353  C CA  . SER   A 1 41  ? -39.439 -2.836  -42.234 1.00 16.64 ? 47  SER   B CA  1 
ATOM   354  C C   . SER   A 1 41  ? -39.225 -4.143  -41.486 1.00 15.46 ? 47  SER   B C   1 
ATOM   355  O O   . SER   A 1 41  ? -38.258 -4.266  -40.685 1.00 15.63 ? 47  SER   B O   1 
ATOM   356  C CB  . SER   A 1 41  ? -38.788 -2.884  -43.607 1.00 18.46 ? 47  SER   B CB  1 
ATOM   357  O OG  . SER   A 1 41  ? -37.376 -3.013  -43.485 1.00 20.67 ? 47  SER   B OG  1 
ATOM   358  N N   . ASP   A 1 42  ? -40.055 -5.126  -41.740 1.00 16.04 ? 48  ASP   B N   1 
ATOM   359  C CA  . ASP   A 1 42  ? -39.879 -6.472  -41.163 1.00 15.96 ? 48  ASP   B CA  1 
ATOM   360  C C   . ASP   A 1 42  ? -38.794 -7.211  -41.941 1.00 17.23 ? 48  ASP   B C   1 
ATOM   361  O O   . ASP   A 1 42  ? -38.539 -6.895  -43.123 1.00 16.98 ? 48  ASP   B O   1 
ATOM   362  C CB  . ASP   A 1 42  ? -41.199 -7.221  -41.139 1.00 17.03 ? 48  ASP   B CB  1 
ATOM   363  C CG  . ASP   A 1 42  ? -41.072 -8.484  -40.325 1.00 21.31 ? 48  ASP   B CG  1 
ATOM   364  O OD1 . ASP   A 1 42  ? -40.388 -8.463  -39.215 1.00 16.95 ? 48  ASP   B OD1 1 
ATOM   365  O OD2 . ASP   A 1 42  ? -41.534 -9.521  -40.874 1.00 25.20 ? 48  ASP   B OD2 1 
ATOM   366  N N   . ASN   A 1 43  ? -38.161 -8.202  -41.300 1.00 15.74 ? 49  ASN   B N   1 
ATOM   367  C CA  . ASN   A 1 43  ? -37.180 -9.086  -41.971 1.00 16.51 ? 49  ASN   B CA  1 
ATOM   368  C C   . ASN   A 1 43  ? -37.111 -10.382 -41.172 1.00 16.67 ? 49  ASN   B C   1 
ATOM   369  O O   . ASN   A 1 43  ? -37.723 -10.482 -40.076 1.00 16.80 ? 49  ASN   B O   1 
ATOM   370  C CB  . ASN   A 1 43  ? -35.827 -8.422  -42.143 1.00 16.37 ? 49  ASN   B CB  1 
ATOM   371  C CG  . ASN   A 1 43  ? -35.110 -8.223  -40.822 1.00 16.03 ? 49  ASN   B CG  1 
ATOM   372  O OD1 . ASN   A 1 43  ? -34.950 -9.182  -40.052 1.00 17.56 ? 49  ASN   B OD1 1 
ATOM   373  N ND2 . ASN   A 1 43  ? -34.669 -7.050  -40.531 1.00 15.32 ? 49  ASN   B ND2 1 
ATOM   374  N N   . LYS   A 1 44  ? -36.482 -11.397 -41.727 1.00 17.44 ? 50  LYS   B N   1 
ATOM   375  C CA  . LYS   A 1 44  ? -36.519 -12.761 -41.151 1.00 18.61 ? 50  LYS   B CA  1 
ATOM   376  C C   . LYS   A 1 44  ? -35.622 -12.845 -39.896 1.00 16.63 ? 50  LYS   B C   1 
ATOM   377  O O   . LYS   A 1 44  ? -35.818 -13.805 -39.132 1.00 18.00 ? 50  LYS   B O   1 
ATOM   378  C CB  . LYS   A 1 44  ? -36.015 -13.794 -42.171 1.00 21.35 ? 50  LYS   B CB  1 
ATOM   379  C CG  . LYS   A 1 44  ? -34.588 -13.565 -42.617 1.00 26.17 ? 50  LYS   B CG  1 
ATOM   380  C CD  . LYS   A 1 44  ? -34.121 -14.406 -43.793 1.00 35.82 ? 50  LYS   B CD  1 
ATOM   381  C CE  . LYS   A 1 44  ? -32.611 -14.345 -43.910 1.00 39.98 ? 50  LYS   B CE  1 
ATOM   382  N NZ  . LYS   A 1 44  ? -32.109 -15.105 -45.082 1.00 46.05 ? 50  LYS   B NZ  1 
ATOM   383  N N   . GLU   A 1 45  ? -34.729 -11.894 -39.711 1.00 15.50 ? 51  GLU   B N   1 
ATOM   384  C CA  . GLU   A 1 45  ? -33.818 -11.853 -38.517 1.00 15.13 ? 51  GLU   B CA  1 
ATOM   385  C C   . GLU   A 1 45  ? -34.537 -11.337 -37.253 1.00 14.36 ? 51  GLU   B C   1 
ATOM   386  O O   . GLU   A 1 45  ? -34.100 -11.690 -36.128 1.00 15.18 ? 51  GLU   B O   1 
ATOM   387  C CB  . GLU   A 1 45  ? -32.590 -11.000 -38.772 1.00 17.11 ? 51  GLU   B CB  1 
ATOM   388  C CG  . GLU   A 1 45  ? -31.729 -11.415 -39.969 1.00 21.08 ? 51  GLU   B CG  1 
ATOM   389  C CD  . GLU   A 1 45  ? -30.558 -10.449 -40.111 1.00 26.03 ? 51  GLU   B CD  1 
ATOM   390  O OE1 . GLU   A 1 45  ? -30.569 -9.638  -41.071 1.00 30.80 ? 51  GLU   B OE1 1 
ATOM   391  O OE2 . GLU   A 1 45  ? -29.652 -10.439 -39.248 1.00 28.79 ? 51  GLU   B OE2 1 
ATOM   392  N N   . ARG   A 1 46  ? -35.576 -10.500 -37.363 1.00 13.14 ? 52  ARG   B N   1 
ATOM   393  C CA  . ARG   A 1 46  ? -36.119 -9.807  -36.170 1.00 12.89 ? 52  ARG   B CA  1 
ATOM   394  C C   . ARG   A 1 46  ? -36.820 -10.770 -35.247 1.00 12.25 ? 52  ARG   B C   1 
ATOM   395  O O   . ARG   A 1 46  ? -37.671 -11.577 -35.644 1.00 13.10 ? 52  ARG   B O   1 
ATOM   396  C CB  . ARG   A 1 46  ? -37.138 -8.735  -36.571 1.00 11.58 ? 52  ARG   B CB  1 
ATOM   397  C CG  . ARG   A 1 46  ? -36.550 -7.617  -37.399 1.00 12.89 ? 52  ARG   B CG  1 
ATOM   398  C CD  . ARG   A 1 46  ? -37.452 -6.350  -37.387 1.00 12.21 ? 52  ARG   B CD  1 
ATOM   399  N NE  . ARG   A 1 46  ? -36.944 -5.316  -38.256 1.00 14.07 ? 52  ARG   B NE  1 
ATOM   400  C CZ  . ARG   A 1 46  ? -35.843 -4.612  -38.048 1.00 13.59 ? 52  ARG   B CZ  1 
ATOM   401  N NH1 . ARG   A 1 46  ? -35.236 -4.637  -36.859 1.00 12.91 ? 52  ARG   B NH1 1 
ATOM   402  N NH2 . ARG   A 1 46  ? -35.377 -3.777  -38.987 1.00 15.14 ? 52  ARG   B NH2 1 
ATOM   403  N N   . PHE   A 1 47  ? -36.543 -10.685 -33.952 1.00 11.27 ? 53  PHE   B N   1 
ATOM   404  C CA  . PHE   A 1 47  ? -37.349 -11.394 -32.949 1.00 10.90 ? 53  PHE   B CA  1 
ATOM   405  C C   . PHE   A 1 47  ? -38.769 -10.788 -32.962 1.00 12.72 ? 53  PHE   B C   1 
ATOM   406  O O   . PHE   A 1 47  ? -38.934 -9.602  -32.728 1.00 13.30 ? 53  PHE   B O   1 
ATOM   407  C CB  . PHE   A 1 47  ? -36.747 -11.277 -31.556 1.00 10.47 ? 53  PHE   B CB  1 
ATOM   408  C CG  . PHE   A 1 47  ? -35.523 -12.152 -31.386 1.00 9.86  ? 53  PHE   B CG  1 
ATOM   409  C CD1 . PHE   A 1 47  ? -35.630 -13.518 -31.150 1.00 10.21 ? 53  PHE   B CD1 1 
ATOM   410  C CD2 . PHE   A 1 47  ? -34.245 -11.604 -31.474 1.00 10.75 ? 53  PHE   B CD2 1 
ATOM   411  C CE1 . PHE   A 1 47  ? -34.502 -14.311 -31.026 1.00 10.91 ? 53  PHE   B CE1 1 
ATOM   412  C CE2 . PHE   A 1 47  ? -33.104 -12.410 -31.326 1.00 10.96 ? 53  PHE   B CE2 1 
ATOM   413  C CZ  . PHE   A 1 47  ? -33.262 -13.760 -31.107 1.00 10.31 ? 53  PHE   B CZ  1 
ATOM   414  N N   . SER   A 1 48  ? -39.797 -11.576 -33.232 1.00 12.80 ? 54  SER   B N   1 
ATOM   415  C CA  . SER   A 1 48  ? -41.179 -11.046 -33.424 1.00 14.12 ? 54  SER   B CA  1 
ATOM   416  C C   . SER   A 1 48  ? -41.947 -10.962 -32.115 1.00 14.66 ? 54  SER   B C   1 
ATOM   417  O O   . SER   A 1 48  ? -42.774 -10.011 -31.984 1.00 16.74 ? 54  SER   B O   1 
ATOM   418  C CB  . SER   A 1 48  ? -41.920 -11.917 -34.441 1.00 15.37 ? 54  SER   B CB  1 
ATOM   419  O OG  . SER   A 1 48  ? -42.076 -13.251 -33.998 1.00 14.89 ? 54  SER   B OG  1 
ATOM   420  N N   . ASN   A 1 49  ? -41.802 -11.865 -31.170 1.00 13.15 ? 55  ASN   B N   1 
ATOM   421  C CA  . ASN   A 1 49  ? -42.756 -12.018 -30.052 1.00 14.23 ? 55  ASN   B CA  1 
ATOM   422  C C   . ASN   A 1 49  ? -42.268 -11.368 -28.763 1.00 12.81 ? 55  ASN   B C   1 
ATOM   423  O O   . ASN   A 1 49  ? -43.034 -11.213 -27.831 1.00 14.83 ? 55  ASN   B O   1 
ATOM   424  C CB  . ASN   A 1 49  ? -43.061 -13.481 -29.774 1.00 15.90 ? 55  ASN   B CB  1 
ATOM   425  C CG  . ASN   A 1 49  ? -43.961 -14.150 -30.814 1.00 17.80 ? 55  ASN   B CG  1 
ATOM   426  O OD1 . ASN   A 1 49  ? -43.812 -13.965 -32.027 1.00 21.16 ? 55  ASN   B OD1 1 
ATOM   427  N ND2 . ASN   A 1 49  ? -44.934 -14.890 -30.301 1.00 23.66 ? 55  ASN   B ND2 1 
ATOM   428  N N   . TYR   A 1 50  ? -40.974 -11.039 -28.680 1.00 11.57 ? 56  TYR   B N   1 
ATOM   429  C CA  . TYR   A 1 50  ? -40.350 -10.553 -27.420 1.00 10.86 ? 56  TYR   B CA  1 
ATOM   430  C C   . TYR   A 1 50  ? -39.377 -9.411  -27.747 1.00 9.91  ? 56  TYR   B C   1 
ATOM   431  O O   . TYR   A 1 50  ? -38.870 -9.328  -28.852 1.00 10.98 ? 56  TYR   B O   1 
ATOM   432  C CB  . TYR   A 1 50  ? -39.562 -11.690 -26.757 1.00 11.14 ? 56  TYR   B CB  1 
ATOM   433  C CG  . TYR   A 1 50  ? -40.281 -13.013 -26.676 1.00 12.70 ? 56  TYR   B CG  1 
ATOM   434  C CD1 . TYR   A 1 50  ? -41.273 -13.204 -25.724 1.00 14.95 ? 56  TYR   B CD1 1 
ATOM   435  C CD2 . TYR   A 1 50  ? -39.979 -14.081 -27.507 1.00 13.65 ? 56  TYR   B CD2 1 
ATOM   436  C CE1 . TYR   A 1 50  ? -41.924 -14.428 -25.586 1.00 15.72 ? 56  TYR   B CE1 1 
ATOM   437  C CE2 . TYR   A 1 50  ? -40.674 -15.279 -27.445 1.00 13.28 ? 56  TYR   B CE2 1 
ATOM   438  C CZ  . TYR   A 1 50  ? -41.628 -15.458 -26.459 1.00 14.68 ? 56  TYR   B CZ  1 
ATOM   439  O OH  . TYR   A 1 50  ? -42.240 -16.688 -26.392 1.00 16.14 ? 56  TYR   B OH  1 
ATOM   440  N N   . PRO   A 1 51  ? -39.087 -8.531  -26.760 1.00 10.15 ? 57  PRO   B N   1 
ATOM   441  C CA  . PRO   A 1 51  ? -38.226 -7.368  -26.972 1.00 10.49 ? 57  PRO   B CA  1 
ATOM   442  C C   . PRO   A 1 51  ? -36.710 -7.687  -26.952 1.00 9.17  ? 57  PRO   B C   1 
ATOM   443  O O   . PRO   A 1 51  ? -35.962 -7.170  -26.159 1.00 9.66  ? 57  PRO   B O   1 
ATOM   444  C CB  . PRO   A 1 51  ? -38.638 -6.386  -25.842 1.00 12.02 ? 57  PRO   B CB  1 
ATOM   445  C CG  . PRO   A 1 51  ? -39.780 -7.011  -25.127 1.00 13.53 ? 57  PRO   B CG  1 
ATOM   446  C CD  . PRO   A 1 51  ? -39.742 -8.459  -25.457 1.00 11.19 ? 57  PRO   B CD  1 
ATOM   447  N N   . MET   A 1 52  ? -36.317 -8.565  -27.896 1.00 9.15  ? 58  MET   B N   1 
ATOM   448  C CA  . MET   A 1 52  ? -34.981 -9.174  -27.973 1.00 8.21  ? 58  MET   B CA  1 
ATOM   449  C C   . MET   A 1 52  ? -34.196 -8.577  -29.115 1.00 9.06  ? 58  MET   B C   1 
ATOM   450  O O   . MET   A 1 52  ? -34.703 -8.109  -30.150 1.00 9.84  ? 58  MET   B O   1 
ATOM   451  C CB  . MET   A 1 52  ? -35.114 -10.677 -28.151 1.00 9.02  ? 58  MET   B CB  1 
ATOM   452  C CG  . MET   A 1 52  ? -35.667 -11.393 -26.948 1.00 9.21  ? 58  MET   B CG  1 
ATOM   453  S SD  . MET   A 1 52  ? -36.147 -13.082 -27.365 1.00 10.48 ? 58  MET   B SD  1 
ATOM   454  C CE  . MET   A 1 52  ? -36.791 -13.707 -25.818 1.00 11.49 ? 58  MET   B CE  1 
ATOM   455  N N   . VAL   A 1 53  ? -32.865 -8.643  -28.960 1.00 8.82  ? 59  VAL   B N   1 
ATOM   456  C CA  . VAL   A 1 53  ? -31.869 -8.182  -29.955 1.00 9.30  ? 59  VAL   B CA  1 
ATOM   457  C C   . VAL   A 1 53  ? -30.576 -8.982  -29.746 1.00 9.59  ? 59  VAL   B C   1 
ATOM   458  O O   . VAL   A 1 53  ? -30.275 -9.361  -28.583 1.00 10.06 ? 59  VAL   B O   1 
ATOM   459  C CB  . VAL   A 1 53  ? -31.670 -6.649  -29.901 1.00 10.02 ? 59  VAL   B CB  1 
ATOM   460  C CG1 . VAL   A 1 53  ? -31.140 -6.188  -28.559 1.00 10.41 ? 59  VAL   B CG1 1 
ATOM   461  C CG2 . VAL   A 1 53  ? -30.804 -6.143  -31.055 1.00 10.41 ? 59  VAL   B CG2 1 
ATOM   462  N N   . LEU   A 1 54  ? -29.802 -9.126  -30.802 1.00 9.21  ? 60  LEU   B N   1 
ATOM   463  C CA  . LEU   A 1 54  ? -28.482 -9.794  -30.731 1.00 9.45  ? 60  LEU   B CA  1 
ATOM   464  C C   . LEU   A 1 54  ? -27.366 -8.782  -30.840 1.00 10.25 ? 60  LEU   B C   1 
ATOM   465  O O   . LEU   A 1 54  ? -27.472 -7.710  -31.546 1.00 11.17 ? 60  LEU   B O   1 
ATOM   466  C CB  . LEU   A 1 54  ? -28.309 -10.818 -31.849 1.00 10.54 ? 60  LEU   B CB  1 
ATOM   467  C CG  . LEU   A 1 54  ? -29.368 -11.899 -31.874 1.00 10.49 ? 60  LEU   B CG  1 
ATOM   468  C CD1 . LEU   A 1 54  ? -29.090 -12.976 -32.928 1.00 12.30 ? 60  LEU   B CD1 1 
ATOM   469  C CD2 . LEU   A 1 54  ? -29.562 -12.552 -30.520 1.00 10.75 ? 60  LEU   B CD2 1 
ATOM   470  N N   . GLY   A 1 55  ? -26.202 -9.112  -30.277 1.00 10.23 ? 61  GLY   B N   1 
ATOM   471  C CA  . GLY   A 1 55  ? -24.930 -8.449  -30.647 1.00 10.83 ? 61  GLY   B CA  1 
ATOM   472  C C   . GLY   A 1 55  ? -24.537 -8.735  -32.094 1.00 10.82 ? 61  GLY   B C   1 
ATOM   473  O O   . GLY   A 1 55  ? -24.860 -9.793  -32.591 1.00 11.31 ? 61  GLY   B O   1 
ATOM   474  N N   . ALA   A 1 56  ? -23.778 -7.838  -32.702 1.00 12.16 ? 62  ALA   B N   1 
ATOM   475  C CA  . ALA   A 1 56  ? -23.295 -8.021  -34.089 1.00 13.71 ? 62  ALA   B CA  1 
ATOM   476  C C   . ALA   A 1 56  ? -22.161 -9.051  -34.134 1.00 14.79 ? 62  ALA   B C   1 
ATOM   477  O O   . ALA   A 1 56  ? -22.000 -9.738  -35.158 1.00 18.30 ? 62  ALA   B O   1 
ATOM   478  C CB  . ALA   A 1 56  ? -22.838 -6.696  -34.599 1.00 15.16 ? 62  ALA   B CB  1 
ATOM   479  N N   . GLN   A 1 57  ? -21.435 -9.181  -33.038 1.00 13.42 ? 63  GLN   B N   1 
ATOM   480  C CA  . GLN   A 1 57  ? -20.236 -10.065 -32.984 1.00 14.03 ? 63  GLN   B CA  1 
ATOM   481  C C   . GLN   A 1 57  ? -20.667 -11.531 -33.000 1.00 15.23 ? 63  GLN   B C   1 
ATOM   482  O O   . GLN   A 1 57  ? -21.717 -11.912 -32.404 1.00 15.66 ? 63  GLN   B O   1 
ATOM   483  C CB  . GLN   A 1 57  ? -19.384 -9.685  -31.762 1.00 15.69 ? 63  GLN   B CB  1 
ATOM   484  C CG  . GLN   A 1 57  ? -18.696 -8.333  -31.896 1.00 17.97 ? 63  GLN   B CG  1 
ATOM   485  C CD  . GLN   A 1 57  ? -19.643 -7.159  -31.741 1.00 17.60 ? 63  GLN   B CD  1 
ATOM   486  O OE1 . GLN   A 1 57  ? -20.599 -7.236  -30.977 1.00 16.84 ? 63  GLN   B OE1 1 
ATOM   487  N NE2 . GLN   A 1 57  ? -19.399 -6.068  -32.438 1.00 19.68 ? 63  GLN   B NE2 1 
ATOM   488  N N   . ARG   A 1 58  ? -19.915 -12.369 -33.694 1.00 15.42 ? 64  ARG   B N   1 
ATOM   489  C CA  . ARG   A 1 58  ? -20.062 -13.835 -33.715 1.00 15.40 ? 64  ARG   B CA  1 
ATOM   490  C C   . ARG   A 1 58  ? -18.790 -14.468 -33.171 1.00 13.74 ? 64  ARG   B C   1 
ATOM   491  O O   . ARG   A 1 58  ? -17.682 -14.009 -33.514 1.00 16.24 ? 64  ARG   B O   1 
ATOM   492  C CB  . ARG   A 1 58  ? -20.235 -14.366 -35.153 1.00 19.33 ? 64  ARG   B CB  1 
ATOM   493  C CG  . ARG   A 1 58  ? -21.610 -14.181 -35.800 1.00 27.55 ? 64  ARG   B CG  1 
ATOM   494  C CD  . ARG   A 1 58  ? -22.127 -12.767 -35.686 1.00 29.71 ? 64  ARG   B CD  1 
ATOM   495  N NE  . ARG   A 1 58  ? -22.992 -12.077 -36.648 1.00 34.77 ? 64  ARG   B NE  1 
ATOM   496  C CZ  . ARG   A 1 58  ? -23.684 -12.585 -37.667 1.00 33.84 ? 64  ARG   B CZ  1 
ATOM   497  N NH1 . ARG   A 1 58  ? -24.418 -11.760 -38.399 1.00 37.99 ? 64  ARG   B NH1 1 
ATOM   498  N NH2 . ARG   A 1 58  ? -23.661 -13.866 -37.970 1.00 33.28 ? 64  ARG   B NH2 1 
ATOM   499  N N   . PHE   A 1 59  ? -18.944 -15.412 -32.283 1.00 12.34 ? 65  PHE   B N   1 
ATOM   500  C CA  . PHE   A 1 59  ? -17.777 -16.075 -31.643 1.00 13.30 ? 65  PHE   B CA  1 
ATOM   501  C C   . PHE   A 1 59  ? -17.843 -17.575 -31.878 1.00 12.43 ? 65  PHE   B C   1 
ATOM   502  O O   . PHE   A 1 59  ? -18.854 -18.218 -31.626 1.00 12.67 ? 65  PHE   B O   1 
ATOM   503  C CB  . PHE   A 1 59  ? -17.801 -15.822 -30.122 1.00 14.43 ? 65  PHE   B CB  1 
ATOM   504  C CG  . PHE   A 1 59  ? -17.811 -14.351 -29.743 1.00 16.90 ? 65  PHE   B CG  1 
ATOM   505  C CD1 . PHE   A 1 59  ? -16.790 -13.531 -30.193 1.00 18.61 ? 65  PHE   B CD1 1 
ATOM   506  C CD2 . PHE   A 1 59  ? -18.818 -13.777 -29.005 1.00 22.19 ? 65  PHE   B CD2 1 
ATOM   507  C CE1 . PHE   A 1 59  ? -16.738 -12.175 -29.898 1.00 20.94 ? 65  PHE   B CE1 1 
ATOM   508  C CE2 . PHE   A 1 59  ? -18.758 -12.417 -28.673 1.00 19.13 ? 65  PHE   B CE2 1 
ATOM   509  C CZ  . PHE   A 1 59  ? -17.757 -11.625 -29.164 1.00 20.08 ? 65  PHE   B CZ  1 
ATOM   510  N N   A SER   A 1 60  ? -16.737 -18.149 -32.373 0.25 12.58 ? 66  SER   B N   1 
ATOM   511  N N   B SER   A 1 60  ? -16.739 -18.161 -32.359 0.25 12.97 ? 66  SER   B N   1 
ATOM   512  C CA  A SER   A 1 60  ? -16.637 -19.597 -32.693 0.25 12.83 ? 66  SER   B CA  1 
ATOM   513  C CA  B SER   A 1 60  ? -16.626 -19.622 -32.615 0.25 13.50 ? 66  SER   B CA  1 
ATOM   514  C C   A SER   A 1 60  ? -15.420 -20.236 -31.999 0.25 12.82 ? 66  SER   B C   1 
ATOM   515  C C   B SER   A 1 60  ? -15.340 -20.177 -32.013 0.25 13.60 ? 66  SER   B C   1 
ATOM   516  O O   A SER   A 1 60  ? -15.274 -21.476 -32.087 0.25 12.48 ? 66  SER   B O   1 
ATOM   517  O O   B SER   A 1 60  ? -14.918 -21.263 -32.420 0.25 12.64 ? 66  SER   B O   1 
ATOM   518  C CB  A SER   A 1 60  ? -16.661 -19.823 -34.197 0.25 13.07 ? 66  SER   B CB  1 
ATOM   519  C CB  B SER   A 1 60  ? -16.643 -19.914 -34.072 0.25 13.86 ? 66  SER   B CB  1 
ATOM   520  O OG  A SER   A 1 60  ? -18.001 -19.684 -34.706 0.25 13.75 ? 66  SER   B OG  1 
ATOM   521  O OG  B SER   A 1 60  ? -15.582 -19.218 -34.679 0.25 14.95 ? 66  SER   B OG  1 
ATOM   522  N N   A SER   A 1 61  ? -14.641 -19.447 -31.252 0.25 12.49 ? 67  SER   B N   1 
ATOM   523  N N   B SER   A 1 61  ? -14.724 -19.447 -31.097 0.25 13.98 ? 67  SER   B N   1 
ATOM   524  C CA  A SER   A 1 61  ? -13.449 -19.913 -30.495 0.25 13.07 ? 67  SER   B CA  1 
ATOM   525  C CA  B SER   A 1 61  ? -13.441 -19.858 -30.495 0.25 15.07 ? 67  SER   B CA  1 
ATOM   526  C C   A SER   A 1 61  ? -13.121 -18.935 -29.362 0.25 13.57 ? 67  SER   B C   1 
ATOM   527  C C   B SER   A 1 61  ? -13.032 -18.861 -29.414 0.25 14.76 ? 67  SER   B C   1 
ATOM   528  O O   A SER   A 1 61  ? -13.693 -17.851 -29.355 0.25 13.54 ? 67  SER   B O   1 
ATOM   529  O O   B SER   A 1 61  ? -13.442 -17.679 -29.515 0.25 14.33 ? 67  SER   B O   1 
ATOM   530  C CB  A SER   A 1 61  ? -12.251 -20.063 -31.424 0.25 13.25 ? 67  SER   B CB  1 
ATOM   531  C CB  B SER   A 1 61  ? -12.386 -19.960 -31.579 0.25 16.34 ? 67  SER   B CB  1 
ATOM   532  O OG  A SER   A 1 61  ? -11.798 -18.798 -31.879 0.25 13.48 ? 67  SER   B OG  1 
ATOM   533  O OG  B SER   A 1 61  ? -11.198 -20.527 -31.062 0.25 19.40 ? 67  SER   B OG  1 
ATOM   534  N N   . GLY   A 1 62  ? -12.205 -19.307 -28.468 1.00 15.28 ? 68  GLY   B N   1 
ATOM   535  C CA  . GLY   A 1 62  ? -11.583 -18.361 -27.538 1.00 16.47 ? 68  GLY   B CA  1 
ATOM   536  C C   . GLY   A 1 62  ? -12.424 -18.057 -26.310 1.00 12.78 ? 68  GLY   B C   1 
ATOM   537  O O   . GLY   A 1 62  ? -13.447 -18.713 -26.052 1.00 14.42 ? 68  GLY   B O   1 
ATOM   538  N N   . LYS   A 1 63  ? -11.916 -17.082 -25.588 1.00 12.98 ? 69  LYS   B N   1 
ATOM   539  C CA  . LYS   A 1 63  ? -12.499 -16.590 -24.336 1.00 13.72 ? 69  LYS   B CA  1 
ATOM   540  C C   . LYS   A 1 63  ? -12.939 -15.150 -24.573 1.00 13.37 ? 69  LYS   B C   1 
ATOM   541  O O   . LYS   A 1 63  ? -12.150 -14.335 -25.086 1.00 15.14 ? 69  LYS   B O   1 
ATOM   542  C CB  . LYS   A 1 63  ? -11.481 -16.728 -23.207 1.00 15.18 ? 69  LYS   B CB  1 
ATOM   543  C CG  . LYS   A 1 63  ? -11.079 -18.159 -22.865 1.00 15.54 ? 69  LYS   B CG  1 
ATOM   544  C CD  . LYS   A 1 63  ? -9.941  -18.215 -21.817 1.00 17.97 ? 69  LYS   B CD  1 
ATOM   545  C CE  . LYS   A 1 63  ? -9.650  -19.617 -21.333 1.00 19.70 ? 69  LYS   B CE  1 
ATOM   546  N NZ  . LYS   A 1 63  ? -8.558  -19.633 -20.322 1.00 21.89 ? 69  LYS   B NZ  1 
ATOM   547  N N   . MET   A 1 64  ? -14.154 -14.802 -24.155 1.00 12.24 ? 70  MET   B N   1 
ATOM   548  C CA  . MET   A 1 64  ? -14.749 -13.468 -24.357 1.00 12.29 ? 70  MET   B CA  1 
ATOM   549  C C   . MET   A 1 64  ? -15.415 -13.028 -23.058 1.00 11.87 ? 70  MET   B C   1 
ATOM   550  O O   . MET   A 1 64  ? -15.992 -13.866 -22.354 1.00 12.56 ? 70  MET   B O   1 
ATOM   551  C CB  . MET   A 1 64  ? -15.855 -13.555 -25.390 1.00 12.60 ? 70  MET   B CB  1 
ATOM   552  C CG  . MET   A 1 64  ? -15.441 -13.744 -26.833 1.00 13.33 ? 70  MET   B CG  1 
ATOM   553  S SD  . MET   A 1 64  ? -14.694 -15.307 -27.354 1.00 15.41 ? 70  MET   B SD  1 
ATOM   554  C CE  . MET   A 1 64  ? -15.932 -16.506 -26.933 1.00 15.05 ? 70  MET   B CE  1 
ATOM   555  N N   . TYR   A 1 65  ? -15.402 -11.747 -22.780 1.00 12.11 ? 71  TYR   B N   1 
ATOM   556  C CA  . TYR   A 1 65  ? -16.004 -11.162 -21.558 1.00 11.95 ? 71  TYR   B CA  1 
ATOM   557  C C   . TYR   A 1 65  ? -16.622 -9.830  -21.925 1.00 11.86 ? 71  TYR   B C   1 
ATOM   558  O O   . TYR   A 1 65  ? -15.984 -9.012  -22.622 1.00 12.68 ? 71  TYR   B O   1 
ATOM   559  C CB  . TYR   A 1 65  ? -14.940 -10.974 -20.468 1.00 13.17 ? 71  TYR   B CB  1 
ATOM   560  C CG  . TYR   A 1 65  ? -15.451 -10.380 -19.177 1.00 12.58 ? 71  TYR   B CG  1 
ATOM   561  C CD1 . TYR   A 1 65  ? -16.192 -11.142 -18.290 1.00 12.44 ? 71  TYR   B CD1 1 
ATOM   562  C CD2 . TYR   A 1 65  ? -15.287 -9.020  -18.894 1.00 12.51 ? 71  TYR   B CD2 1 
ATOM   563  C CE1 . TYR   A 1 65  ? -16.719 -10.606 -17.114 1.00 13.33 ? 71  TYR   B CE1 1 
ATOM   564  C CE2 . TYR   A 1 65  ? -15.797 -8.475  -17.722 1.00 12.72 ? 71  TYR   B CE2 1 
ATOM   565  C CZ  . TYR   A 1 65  ? -16.512 -9.256  -16.837 1.00 13.10 ? 71  TYR   B CZ  1 
ATOM   566  O OH  . TYR   A 1 65  ? -17.026 -8.709  -15.694 1.00 14.27 ? 71  TYR   B OH  1 
ATOM   567  N N   . TRP   A 1 66  ? -17.824 -9.560  -21.422 1.00 10.38 ? 72  TRP   B N   1 
ATOM   568  C CA  . TRP   A 1 66  ? -18.418 -8.202  -21.507 1.00 10.77 ? 72  TRP   B CA  1 
ATOM   569  C C   . TRP   A 1 66  ? -19.304 -7.960  -20.282 1.00 10.65 ? 72  TRP   B C   1 
ATOM   570  O O   . TRP   A 1 66  ? -19.655 -8.891  -19.561 1.00 11.56 ? 72  TRP   B O   1 
ATOM   571  C CB  . TRP   A 1 66  ? -19.153 -8.004  -22.855 1.00 10.73 ? 72  TRP   B CB  1 
ATOM   572  C CG  . TRP   A 1 66  ? -20.321 -8.892  -23.125 1.00 10.25 ? 72  TRP   B CG  1 
ATOM   573  C CD1 . TRP   A 1 66  ? -21.645 -8.592  -22.934 1.00 10.26 ? 72  TRP   B CD1 1 
ATOM   574  C CD2 . TRP   A 1 66  ? -20.318 -10.211 -23.683 1.00 11.40 ? 72  TRP   B CD2 1 
ATOM   575  N NE1 . TRP   A 1 66  ? -22.445 -9.641  -23.305 1.00 10.74 ? 72  TRP   B NE1 1 
ATOM   576  C CE2 . TRP   A 1 66  ? -21.656 -10.650 -23.778 1.00 11.07 ? 72  TRP   B CE2 1 
ATOM   577  C CE3 . TRP   A 1 66  ? -19.285 -11.066 -24.088 1.00 12.67 ? 72  TRP   B CE3 1 
ATOM   578  C CZ2 . TRP   A 1 66  ? -21.992 -11.894 -24.285 1.00 11.49 ? 72  TRP   B CZ2 1 
ATOM   579  C CZ3 . TRP   A 1 66  ? -19.612 -12.286 -24.637 1.00 14.68 ? 72  TRP   B CZ3 1 
ATOM   580  C CH2 . TRP   A 1 66  ? -20.943 -12.702 -24.714 1.00 13.51 ? 72  TRP   B CH2 1 
ATOM   581  N N   . GLU   A 1 67  ? -19.690 -6.702  -20.117 1.00 10.62 ? 73  GLU   B N   1 
ATOM   582  C CA  . GLU   A 1 67  ? -20.552 -6.256  -18.993 1.00 10.52 ? 73  GLU   B CA  1 
ATOM   583  C C   . GLU   A 1 67  ? -21.760 -5.453  -19.467 1.00 10.28 ? 73  GLU   B C   1 
ATOM   584  O O   . GLU   A 1 67  ? -21.669 -4.739  -20.459 1.00 10.87 ? 73  GLU   B O   1 
ATOM   585  C CB  . GLU   A 1 67  ? -19.756 -5.412  -18.001 1.00 12.31 ? 73  GLU   B CB  1 
ATOM   586  C CG  . GLU   A 1 67  ? -18.682 -6.233  -17.293 1.00 14.41 ? 73  GLU   B CG  1 
ATOM   587  C CD  . GLU   A 1 67  ? -17.821 -5.476  -16.303 1.00 17.43 ? 73  GLU   B CD  1 
ATOM   588  O OE1 . GLU   A 1 67  ? -17.957 -4.218  -16.226 1.00 21.75 ? 73  GLU   B OE1 1 
ATOM   589  O OE2 . GLU   A 1 67  ? -16.960 -6.143  -15.616 1.00 16.18 ? 73  GLU   B OE2 1 
ATOM   590  N N   . VAL   A 1 68  ? -22.864 -5.660  -18.765 1.00 10.25 ? 74  VAL   B N   1 
ATOM   591  C CA  . VAL   A 1 68  ? -24.143 -5.024  -19.090 1.00 10.35 ? 74  VAL   B CA  1 
ATOM   592  C C   . VAL   A 1 68  ? -24.696 -4.371  -17.852 1.00 9.91  ? 74  VAL   B C   1 
ATOM   593  O O   . VAL   A 1 68  ? -24.811 -4.986  -16.795 1.00 11.30 ? 74  VAL   B O   1 
ATOM   594  C CB  . VAL   A 1 68  ? -25.143 -6.041  -19.662 1.00 10.53 ? 74  VAL   B CB  1 
ATOM   595  C CG1 . VAL   A 1 68  ? -26.399 -5.315  -20.108 1.00 11.68 ? 74  VAL   B CG1 1 
ATOM   596  C CG2 . VAL   A 1 68  ? -24.526 -6.912  -20.751 1.00 11.61 ? 74  VAL   B CG2 1 
ATOM   597  N N   . ASP   A 1 69  ? -25.128 -3.112  -18.023 1.00 10.59 ? 75  ASP   B N   1 
ATOM   598  C CA  . ASP   A 1 69  ? -25.821 -2.334  -16.969 1.00 11.49 ? 75  ASP   B CA  1 
ATOM   599  C C   . ASP   A 1 69  ? -27.315 -2.606  -17.017 1.00 9.92  ? 75  ASP   B C   1 
ATOM   600  O O   . ASP   A 1 69  ? -27.933 -2.471  -18.122 1.00 10.86 ? 75  ASP   B O   1 
ATOM   601  C CB  . ASP   A 1 69  ? -25.548 -0.834  -17.136 1.00 13.15 ? 75  ASP   B CB  1 
ATOM   602  C CG  . ASP   A 1 69  ? -25.933 -0.026  -15.892 1.00 15.57 ? 75  ASP   B CG  1 
ATOM   603  O OD1 . ASP   A 1 69  ? -27.065 -0.017  -15.539 1.00 14.96 ? 75  ASP   B OD1 1 
ATOM   604  O OD2 . ASP   A 1 69  ? -25.023 0.407   -15.145 1.00 19.50 ? 75  ASP   B OD2 1 
ATOM   605  N N   . VAL   A 1 70  ? -27.879 -3.009  -15.879 1.00 10.27 ? 76  VAL   B N   1 
ATOM   606  C CA  . VAL   A 1 70  ? -29.326 -3.351  -15.720 1.00 11.14 ? 76  VAL   B CA  1 
ATOM   607  C C   . VAL   A 1 70  ? -30.016 -2.437  -14.682 1.00 11.61 ? 76  VAL   B C   1 
ATOM   608  O O   . VAL   A 1 70  ? -31.096 -2.779  -14.178 1.00 12.18 ? 76  VAL   B O   1 
ATOM   609  C CB  . VAL   A 1 70  ? -29.490 -4.858  -15.375 1.00 10.98 ? 76  VAL   B CB  1 
ATOM   610  C CG1 . VAL   A 1 70  ? -28.921 -5.777  -16.484 1.00 11.08 ? 76  VAL   B CG1 1 
ATOM   611  C CG2 . VAL   A 1 70  ? -28.873 -5.232  -14.040 1.00 11.78 ? 76  VAL   B CG2 1 
ATOM   612  N N   . THR   A 1 71  ? -29.378 -1.330  -14.320 1.00 11.85 ? 77  THR   B N   1 
ATOM   613  C CA  . THR   A 1 71  ? -29.898 -0.389  -13.295 1.00 13.25 ? 77  THR   B CA  1 
ATOM   614  C C   . THR   A 1 71  ? -31.386 -0.085  -13.507 1.00 12.96 ? 77  THR   B C   1 
ATOM   615  O O   . THR   A 1 71  ? -31.802 0.246   -14.616 1.00 13.28 ? 77  THR   B O   1 
ATOM   616  C CB  . THR   A 1 71  ? -29.092 0.911   -13.314 1.00 13.82 ? 77  THR   B CB  1 
ATOM   617  O OG1 . THR   A 1 71  ? -27.709 0.647   -13.041 1.00 16.84 ? 77  THR   B OG1 1 
ATOM   618  C CG2 . THR   A 1 71  ? -29.641 1.895   -12.300 1.00 17.37 ? 77  THR   B CG2 1 
ATOM   619  N N   . GLN   A 1 72  ? -32.119 -0.218  -12.417 1.00 15.18 ? 78  GLN   B N   1 
ATOM   620  C CA  . GLN   A 1 72  ? -33.556 0.103   -12.212 1.00 17.14 ? 78  GLN   B CA  1 
ATOM   621  C C   . GLN   A 1 72  ? -34.504 -0.707  -13.090 1.00 17.67 ? 78  GLN   B C   1 
ATOM   622  O O   . GLN   A 1 72  ? -35.720 -0.447  -13.050 1.00 22.75 ? 78  GLN   B O   1 
ATOM   623  C CB  . GLN   A 1 72  ? -33.811 1.603   -12.326 1.00 24.35 ? 78  GLN   B CB  1 
ATOM   624  C CG  . GLN   A 1 72  ? -33.558 2.226   -13.683 1.00 30.23 ? 78  GLN   B CG  1 
ATOM   625  C CD  . GLN   A 1 72  ? -34.535 3.339   -13.993 1.00 34.75 ? 78  GLN   B CD  1 
ATOM   626  O OE1 . GLN   A 1 72  ? -34.174 4.369   -14.563 1.00 39.29 ? 78  GLN   B OE1 1 
ATOM   627  N NE2 . GLN   A 1 72  ? -35.808 3.087   -13.723 1.00 41.51 ? 78  GLN   B NE2 1 
ATOM   628  N N   . LYS   A 1 73  ? -34.067 -1.754  -13.758 1.00 12.70 ? 79  LYS   B N   1 
ATOM   629  C CA  . LYS   A 1 73  ? -34.998 -2.625  -14.478 1.00 11.34 ? 79  LYS   B CA  1 
ATOM   630  C C   . LYS   A 1 73  ? -35.688 -3.632  -13.567 1.00 10.60 ? 79  LYS   B C   1 
ATOM   631  O O   . LYS   A 1 73  ? -35.057 -4.173  -12.619 1.00 12.41 ? 79  LYS   B O   1 
ATOM   632  C CB  . LYS   A 1 73  ? -34.268 -3.310  -15.635 1.00 11.22 ? 79  LYS   B CB  1 
ATOM   633  C CG  . LYS   A 1 73  ? -33.836 -2.313  -16.741 1.00 11.62 ? 79  LYS   B CG  1 
ATOM   634  C CD  . LYS   A 1 73  ? -33.324 -2.935  -18.016 1.00 11.82 ? 79  LYS   B CD  1 
ATOM   635  C CE  . LYS   A 1 73  ? -34.398 -3.696  -18.764 1.00 11.25 ? 79  LYS   B CE  1 
ATOM   636  N NZ  . LYS   A 1 73  ? -35.594 -2.870  -19.099 1.00 9.71  ? 79  LYS   B NZ  1 
ATOM   637  N N   . GLU   A 1 74  ? -36.915 -3.956  -13.900 1.00 9.89  ? 80  GLU   B N   1 
ATOM   638  C CA  . GLU   A 1 74  ? -37.725 -4.965  -13.218 1.00 9.43  ? 80  GLU   B CA  1 
ATOM   639  C C   . GLU   A 1 74  ? -37.648 -6.326  -13.906 1.00 9.42  ? 80  GLU   B C   1 
ATOM   640  O O   . GLU   A 1 74  ? -38.012 -7.336  -13.316 1.00 10.85 ? 80  GLU   B O   1 
ATOM   641  C CB  . GLU   A 1 74  ? -39.208 -4.557  -13.206 1.00 10.50 ? 80  GLU   B CB  1 
ATOM   642  C CG  . GLU   A 1 74  ? -39.532 -3.311  -12.422 1.00 12.00 ? 80  GLU   B CG  1 
ATOM   643  C CD  . GLU   A 1 74  ? -40.993 -2.884  -12.530 1.00 11.44 ? 80  GLU   B CD  1 
ATOM   644  O OE1 . GLU   A 1 74  ? -41.379 -2.032  -11.713 1.00 14.77 ? 80  GLU   B OE1 1 
ATOM   645  O OE2 . GLU   A 1 74  ? -41.703 -3.404  -13.411 1.00 13.08 ? 80  GLU   B OE2 1 
ATOM   646  N N   . ALA   A 1 75  ? -37.307 -6.385  -15.194 1.00 9.22  ? 81  ALA   B N   1 
ATOM   647  C CA  . ALA   A 1 75  ? -37.303 -7.633  -15.955 1.00 9.56  ? 81  ALA   B CA  1 
ATOM   648  C C   . ALA   A 1 75  ? -36.334 -7.490  -17.123 1.00 10.27 ? 81  ALA   B C   1 
ATOM   649  O O   . ALA   A 1 75  ? -36.267 -6.428  -17.785 1.00 10.06 ? 81  ALA   B O   1 
ATOM   650  C CB  . ALA   A 1 75  ? -38.678 -7.931  -16.470 1.00 10.28 ? 81  ALA   B CB  1 
ATOM   651  N N   . TRP   A 1 76  ? -35.597 -8.578  -17.409 1.00 9.27  ? 82  TRP   B N   1 
ATOM   652  C CA  . TRP   A 1 76  ? -34.616 -8.658  -18.530 1.00 8.90  ? 82  TRP   B CA  1 
ATOM   653  C C   . TRP   A 1 76  ? -34.105 -10.079 -18.607 1.00 9.39  ? 82  TRP   B C   1 
ATOM   654  O O   . TRP   A 1 76  ? -34.209 -10.844 -17.625 1.00 10.02 ? 82  TRP   B O   1 
ATOM   655  C CB  . TRP   A 1 76  ? -33.446 -7.688  -18.313 1.00 9.30  ? 82  TRP   B CB  1 
ATOM   656  C CG  . TRP   A 1 76  ? -32.791 -7.710  -16.974 1.00 9.79  ? 82  TRP   B CG  1 
ATOM   657  C CD1 . TRP   A 1 76  ? -32.992 -6.858  -15.941 1.00 10.65 ? 82  TRP   B CD1 1 
ATOM   658  C CD2 . TRP   A 1 76  ? -31.813 -8.641  -16.439 1.00 9.93  ? 82  TRP   B CD2 1 
ATOM   659  N NE1 . TRP   A 1 76  ? -32.233 -7.140  -14.856 1.00 10.43 ? 82  TRP   B NE1 1 
ATOM   660  C CE2 . TRP   A 1 76  ? -31.527 -8.292  -15.110 1.00 10.47 ? 82  TRP   B CE2 1 
ATOM   661  C CE3 . TRP   A 1 76  ? -31.168 -9.796  -16.959 1.00 10.51 ? 82  TRP   B CE3 1 
ATOM   662  C CZ2 . TRP   A 1 76  ? -30.589 -8.944  -14.312 1.00 10.39 ? 82  TRP   B CZ2 1 
ATOM   663  C CZ3 . TRP   A 1 76  ? -30.279 -10.494 -16.154 1.00 11.06 ? 82  TRP   B CZ3 1 
ATOM   664  C CH2 . TRP   A 1 76  ? -29.974 -10.048 -14.854 1.00 11.07 ? 82  TRP   B CH2 1 
ATOM   665  N N   . ASP   A 1 77  ? -33.597 -10.418 -19.773 1.00 9.06  ? 83  ASP   B N   1 
ATOM   666  C CA  . ASP   A 1 77  ? -32.813 -11.666 -19.979 1.00 9.28  ? 83  ASP   B CA  1 
ATOM   667  C C   . ASP   A 1 77  ? -31.449 -11.273 -20.537 1.00 9.03  ? 83  ASP   B C   1 
ATOM   668  O O   . ASP   A 1 77  ? -31.395 -10.388 -21.415 1.00 9.21  ? 83  ASP   B O   1 
ATOM   669  C CB  . ASP   A 1 77  ? -33.465 -12.652 -20.948 1.00 10.81 ? 83  ASP   B CB  1 
ATOM   670  C CG  . ASP   A 1 77  ? -34.956 -12.875 -20.828 1.00 12.00 ? 83  ASP   B CG  1 
ATOM   671  O OD1 . ASP   A 1 77  ? -35.393 -12.897 -19.718 1.00 15.12 ? 83  ASP   B OD1 1 
ATOM   672  O OD2 . ASP   A 1 77  ? -35.637 -13.065 -21.874 1.00 13.96 ? 83  ASP   B OD2 1 
ATOM   673  N N   . LEU   A 1 78  ? -30.381 -11.981 -20.191 1.00 8.20  ? 84  LEU   B N   1 
ATOM   674  C CA  . LEU   A 1 78  ? -29.018 -11.734 -20.704 1.00 8.87  ? 84  LEU   B CA  1 
ATOM   675  C C   . LEU   A 1 78  ? -28.291 -13.057 -20.881 1.00 8.44  ? 84  LEU   B C   1 
ATOM   676  O O   . LEU   A 1 78  ? -28.430 -13.969 -20.067 1.00 8.81  ? 84  LEU   B O   1 
ATOM   677  C CB  . LEU   A 1 78  ? -28.208 -10.884 -19.738 1.00 9.24  ? 84  LEU   B CB  1 
ATOM   678  C CG  . LEU   A 1 78  ? -28.550 -9.404  -19.626 1.00 10.41 ? 84  LEU   B CG  1 
ATOM   679  C CD1 . LEU   A 1 78  ? -27.726 -8.779  -18.501 1.00 11.22 ? 84  LEU   B CD1 1 
ATOM   680  C CD2 . LEU   A 1 78  ? -28.336 -8.707  -20.945 1.00 10.89 ? 84  LEU   B CD2 1 
ATOM   681  N N   . GLY   A 1 79  ? -27.468 -13.112 -21.925 1.00 7.86  ? 85  GLY   B N   1 
ATOM   682  C CA  . GLY   A 1 79  ? -26.500 -14.211 -22.048 1.00 8.29  ? 85  GLY   B CA  1 
ATOM   683  C C   . GLY   A 1 79  ? -25.961 -14.273 -23.463 1.00 8.06  ? 85  GLY   B C   1 
ATOM   684  O O   . GLY   A 1 79  ? -25.567 -13.258 -24.040 1.00 8.55  ? 85  GLY   B O   1 
ATOM   685  N N   A VAL   A 1 80  ? -25.903 -15.502 -23.978 0.25 8.19  ? 86  VAL   B N   1 
ATOM   686  N N   B VAL   A 1 80  ? -25.932 -15.475 -24.012 0.25 8.63  ? 86  VAL   B N   1 
ATOM   687  C CA  A VAL   A 1 80  ? -25.510 -15.799 -25.384 0.25 8.13  ? 86  VAL   B CA  1 
ATOM   688  C CA  B VAL   A 1 80  ? -25.348 -15.735 -25.353 0.25 8.81  ? 86  VAL   B CA  1 
ATOM   689  C C   A VAL   A 1 80  ? -26.496 -16.780 -25.997 0.25 8.54  ? 86  VAL   B C   1 
ATOM   690  C C   B VAL   A 1 80  ? -26.255 -16.809 -25.983 0.25 9.15  ? 86  VAL   B C   1 
ATOM   691  O O   A VAL   A 1 80  ? -27.234 -17.519 -25.301 0.25 8.77  ? 86  VAL   B O   1 
ATOM   692  O O   B VAL   A 1 80  ? -26.824 -17.579 -25.215 0.25 9.59  ? 86  VAL   B O   1 
ATOM   693  C CB  A VAL   A 1 80  ? -24.097 -16.393 -25.525 0.25 8.36  ? 86  VAL   B CB  1 
ATOM   694  C CB  B VAL   A 1 80  ? -23.860 -16.130 -25.186 0.25 9.62  ? 86  VAL   B CB  1 
ATOM   695  C CG1 A VAL   A 1 80  ? -23.065 -15.351 -25.166 0.25 7.95  ? 86  VAL   B CG1 1 
ATOM   696  C CG1 B VAL   A 1 80  ? -23.709 -17.510 -24.567 0.25 9.69  ? 86  VAL   B CG1 1 
ATOM   697  C CG2 A VAL   A 1 80  ? -23.911 -17.659 -24.708 0.25 8.37  ? 86  VAL   B CG2 1 
ATOM   698  C CG2 B VAL   A 1 80  ? -23.088 -16.017 -26.486 0.25 10.19 ? 86  VAL   B CG2 1 
ATOM   699  N N   . CYS   A 1 81  ? -26.440 -16.819 -27.314 1.00 8.98  ? 87  CYS   B N   1 
ATOM   700  C CA  . CYS   A 1 81  ? -27.251 -17.802 -28.010 1.00 9.91  ? 87  CYS   B CA  1 
ATOM   701  C C   . CYS   A 1 81  ? -26.583 -18.212 -29.323 1.00 9.65  ? 87  CYS   B C   1 
ATOM   702  O O   . CYS   A 1 81  ? -25.705 -17.508 -29.844 1.00 9.65  ? 87  CYS   B O   1 
ATOM   703  C CB  . CYS   A 1 81  ? -28.657 -17.269 -28.272 1.00 10.73 ? 87  CYS   B CB  1 
ATOM   704  S SG  . CYS   A 1 81  ? -28.752 -15.871 -29.426 1.00 10.93 ? 87  CYS   B SG  1 
ATOM   705  N N   A ARG   A 1 82  ? -27.027 -19.338 -29.846 0.25 9.60  ? 88  ARG   B N   1 
ATOM   706  N N   B ARG   A 1 82  ? -26.995 -19.369 -29.836 0.25 9.87  ? 88  ARG   B N   1 
ATOM   707  C CA  A ARG   A 1 82  ? -26.603 -19.734 -31.206 0.25 9.86  ? 88  ARG   B CA  1 
ATOM   708  C CA  B ARG   A 1 82  ? -26.569 -19.846 -31.184 0.25 10.34 ? 88  ARG   B CA  1 
ATOM   709  C C   A ARG   A 1 82  ? -27.025 -18.689 -32.233 0.25 9.93  ? 88  ARG   B C   1 
ATOM   710  C C   B ARG   A 1 82  ? -27.082 -18.875 -32.265 0.25 10.37 ? 88  ARG   B C   1 
ATOM   711  O O   A ARG   A 1 82  ? -28.064 -18.058 -32.131 0.25 9.02  ? 88  ARG   B O   1 
ATOM   712  O O   B ARG   A 1 82  ? -28.273 -18.453 -32.179 0.25 9.78  ? 88  ARG   B O   1 
ATOM   713  C CB  A ARG   A 1 82  ? -27.243 -21.059 -31.589 0.25 10.48 ? 88  ARG   B CB  1 
ATOM   714  C CB  B ARG   A 1 82  ? -27.113 -21.262 -31.415 0.25 11.32 ? 88  ARG   B CB  1 
ATOM   715  C CG  A ARG   A 1 82  ? -26.823 -22.160 -30.638 0.25 10.75 ? 88  ARG   B CG  1 
ATOM   716  C CG  B ARG   A 1 82  ? -26.414 -22.043 -32.521 0.25 11.45 ? 88  ARG   B CG  1 
ATOM   717  C CD  A ARG   A 1 82  ? -27.317 -23.494 -31.124 0.25 11.57 ? 88  ARG   B CD  1 
ATOM   718  C CD  B ARG   A 1 82  ? -26.980 -23.434 -32.758 0.25 11.97 ? 88  ARG   B CD  1 
ATOM   719  N NE  A ARG   A 1 82  ? -26.979 -24.566 -30.192 0.25 11.17 ? 88  ARG   B NE  1 
ATOM   720  N NE  B ARG   A 1 82  ? -26.826 -24.248 -31.577 0.25 12.36 ? 88  ARG   B NE  1 
ATOM   721  C CZ  A ARG   A 1 82  ? -27.807 -25.538 -29.870 0.25 11.60 ? 88  ARG   B CZ  1 
ATOM   722  C CZ  B ARG   A 1 82  ? -27.829 -24.815 -30.923 0.25 12.48 ? 88  ARG   B CZ  1 
ATOM   723  N NH1 A ARG   A 1 82  ? -29.019 -25.566 -30.388 0.25 11.51 ? 88  ARG   B NH1 1 
ATOM   724  N NH1 B ARG   A 1 82  ? -29.057 -24.742 -31.392 0.25 13.39 ? 88  ARG   B NH1 1 
ATOM   725  N NH2 A ARG   A 1 82  ? -27.420 -26.470 -29.024 0.25 12.35 ? 88  ARG   B NH2 1 
ATOM   726  N NH2 B ARG   A 1 82  ? -27.583 -25.499 -29.825 0.25 12.38 ? 88  ARG   B NH2 1 
ATOM   727  N N   . ASP   A 1 83  ? -26.254 -18.584 -33.292 1.00 11.04 ? 89  ASP   B N   1 
ATOM   728  C CA  . ASP   A 1 83  ? -26.656 -17.709 -34.413 1.00 12.48 ? 89  ASP   B CA  1 
ATOM   729  C C   . ASP   A 1 83  ? -27.951 -18.239 -35.018 1.00 12.94 ? 89  ASP   B C   1 
ATOM   730  O O   . ASP   A 1 83  ? -28.688 -17.394 -35.612 1.00 16.19 ? 89  ASP   B O   1 
ATOM   731  C CB  . ASP   A 1 83  ? -25.524 -17.621 -35.445 1.00 14.84 ? 89  ASP   B CB  1 
ATOM   732  C CG  . ASP   A 1 83  ? -25.117 -18.896 -36.123 1.00 18.19 ? 89  ASP   B CG  1 
ATOM   733  O OD1 . ASP   A 1 83  ? -25.615 -19.989 -35.730 1.00 21.82 ? 89  ASP   B OD1 1 
ATOM   734  O OD2 . ASP   A 1 83  ? -24.324 -18.768 -37.119 1.00 22.21 ? 89  ASP   B OD2 1 
ATOM   735  N N   . SER   A 1 84  ? -28.238 -19.526 -34.962 1.00 11.84 ? 90  SER   B N   1 
ATOM   736  C CA  . SER   A 1 84  ? -29.360 -20.217 -35.641 1.00 14.99 ? 90  SER   B CA  1 
ATOM   737  C C   . SER   A 1 84  ? -30.660 -20.272 -34.800 1.00 12.96 ? 90  SER   B C   1 
ATOM   738  O O   . SER   A 1 84  ? -31.575 -20.977 -35.169 1.00 13.97 ? 90  SER   B O   1 
ATOM   739  C CB  . SER   A 1 84  ? -28.877 -21.657 -36.031 1.00 15.22 ? 90  SER   B CB  1 
ATOM   740  O OG  . SER   A 1 84  ? -28.441 -22.366 -34.956 1.00 19.38 ? 90  SER   B OG  1 
ATOM   741  N N   . VAL   A 1 85  ? -30.722 -19.612 -33.633 1.00 12.23 ? 91  VAL   B N   1 
ATOM   742  C CA  . VAL   A 1 85  ? -31.967 -19.671 -32.825 1.00 11.61 ? 91  VAL   B CA  1 
ATOM   743  C C   . VAL   A 1 85  ? -33.175 -19.176 -33.639 1.00 11.70 ? 91  VAL   B C   1 
ATOM   744  O O   . VAL   A 1 85  ? -33.047 -18.250 -34.448 1.00 12.31 ? 91  VAL   B O   1 
ATOM   745  C CB  . VAL   A 1 85  ? -31.867 -18.905 -31.483 1.00 11.20 ? 91  VAL   B CB  1 
ATOM   746  C CG1 . VAL   A 1 85  ? -30.864 -19.565 -30.559 1.00 11.59 ? 91  VAL   B CG1 1 
ATOM   747  C CG2 . VAL   A 1 85  ? -31.637 -17.432 -31.621 1.00 11.29 ? 91  VAL   B CG2 1 
ATOM   748  N N   . GLN   A 1 86  ? -34.301 -19.789 -33.340 1.00 12.67 ? 92  GLN   B N   1 
ATOM   749  C CA  . GLN   A 1 86  ? -35.649 -19.343 -33.793 1.00 14.24 ? 92  GLN   B CA  1 
ATOM   750  C C   . GLN   A 1 86  ? -35.840 -17.848 -33.491 1.00 13.19 ? 92  GLN   B C   1 
ATOM   751  O O   . GLN   A 1 86  ? -35.558 -17.404 -32.383 1.00 13.95 ? 92  GLN   B O   1 
ATOM   752  C CB  . GLN   A 1 86  ? -36.676 -20.212 -33.070 1.00 16.47 ? 92  GLN   B CB  1 
ATOM   753  C CG  . GLN   A 1 86  ? -38.148 -19.916 -33.374 1.00 19.73 ? 92  GLN   B CG  1 
ATOM   754  C CD  . GLN   A 1 86  ? -39.047 -20.752 -32.472 1.00 22.88 ? 92  GLN   B CD  1 
ATOM   755  O OE1 . GLN   A 1 86  ? -38.630 -21.743 -31.838 1.00 24.49 ? 92  GLN   B OE1 1 
ATOM   756  N NE2 . GLN   A 1 86  ? -40.318 -20.367 -32.351 1.00 24.47 ? 92  GLN   B NE2 1 
ATOM   757  N N   . ARG   A 1 87  ? -36.393 -17.118 -34.451 1.00 12.55 ? 93  ARG   B N   1 
ATOM   758  C CA  . ARG   A 1 87  ? -36.686 -15.661 -34.309 1.00 11.77 ? 93  ARG   B CA  1 
ATOM   759  C C   . ARG   A 1 87  ? -38.188 -15.440 -34.153 1.00 12.61 ? 93  ARG   B C   1 
ATOM   760  O O   . ARG   A 1 87  ? -38.574 -14.421 -33.570 1.00 13.13 ? 93  ARG   B O   1 
ATOM   761  C CB  . ARG   A 1 87  ? -36.159 -14.851 -35.479 1.00 13.10 ? 93  ARG   B CB  1 
ATOM   762  C CG  . ARG   A 1 87  ? -34.689 -15.068 -35.786 1.00 12.68 ? 93  ARG   B CG  1 
ATOM   763  C CD  . ARG   A 1 87  ? -33.754 -14.826 -34.572 1.00 12.96 ? 93  ARG   B CD  1 
ATOM   764  N NE  . ARG   A 1 87  ? -32.384 -15.308 -34.868 1.00 13.70 ? 93  ARG   B NE  1 
ATOM   765  C CZ  . ARG   A 1 87  ? -31.475 -14.604 -35.496 1.00 12.99 ? 93  ARG   B CZ  1 
ATOM   766  N NH1 . ARG   A 1 87  ? -31.733 -13.376 -35.861 1.00 15.23 ? 93  ARG   B NH1 1 
ATOM   767  N NH2 . ARG   A 1 87  ? -30.297 -15.118 -35.804 1.00 15.46 ? 93  ARG   B NH2 1 
ATOM   768  N N   . LYS   A 1 88  ? -39.032 -16.281 -34.754 1.00 13.41 ? 94  LYS   B N   1 
ATOM   769  C CA  . LYS   A 1 88  ? -40.493 -15.994 -34.916 1.00 13.75 ? 94  LYS   B CA  1 
ATOM   770  C C   . LYS   A 1 88  ? -41.302 -16.867 -34.003 1.00 15.15 ? 94  LYS   B C   1 
ATOM   771  O O   . LYS   A 1 88  ? -40.948 -18.076 -33.871 1.00 17.07 ? 94  LYS   B O   1 
ATOM   772  C CB  . LYS   A 1 88  ? -40.917 -16.207 -36.366 1.00 14.49 ? 94  LYS   B CB  1 
ATOM   773  C CG  . LYS   A 1 88  ? -40.093 -15.450 -37.371 1.00 14.91 ? 94  LYS   B CG  1 
ATOM   774  C CD  . LYS   A 1 88  ? -40.024 -13.927 -37.147 1.00 16.59 ? 94  LYS   B CD  1 
ATOM   775  C CE  . LYS   A 1 88  ? -39.229 -13.255 -38.228 1.00 16.44 ? 94  LYS   B CE  1 
ATOM   776  N NZ  . LYS   A 1 88  ? -39.158 -11.776 -38.078 1.00 16.19 ? 94  LYS   B NZ  1 
ATOM   777  N N   . GLY   A 1 89  ? -42.375 -16.370 -33.421 1.00 15.48 ? 95  GLY   B N   1 
ATOM   778  C CA  . GLY   A 1 89  ? -43.246 -17.195 -32.589 1.00 15.78 ? 95  GLY   B CA  1 
ATOM   779  C C   . GLY   A 1 89  ? -42.754 -17.324 -31.164 1.00 17.70 ? 95  GLY   B C   1 
ATOM   780  O O   . GLY   A 1 89  ? -41.789 -16.587 -30.744 1.00 16.64 ? 95  GLY   B O   1 
ATOM   781  N N   . GLN   A 1 90  ? -43.415 -18.207 -30.437 1.00 17.72 ? 96  GLN   B N   1 
ATOM   782  C CA  . GLN   A 1 90  ? -43.163 -18.456 -29.015 1.00 18.78 ? 96  GLN   B CA  1 
ATOM   783  C C   . GLN   A 1 90  ? -42.091 -19.527 -28.852 1.00 18.76 ? 96  GLN   B C   1 
ATOM   784  O O   . GLN   A 1 90  ? -42.003 -20.456 -29.681 1.00 19.33 ? 96  GLN   B O   1 
ATOM   785  C CB  . GLN   A 1 90  ? -44.455 -18.927 -28.334 1.00 22.96 ? 96  GLN   B CB  1 
ATOM   786  C CG  . GLN   A 1 90  ? -45.539 -17.881 -28.423 1.00 29.26 ? 96  GLN   B CG  1 
ATOM   787  C CD  . GLN   A 1 90  ? -46.857 -18.433 -27.968 1.00 39.40 ? 96  GLN   B CD  1 
ATOM   788  O OE1 . GLN   A 1 90  ? -47.201 -18.341 -26.789 1.00 51.78 ? 96  GLN   B OE1 1 
ATOM   789  N NE2 . GLN   A 1 90  ? -47.571 -19.051 -28.900 1.00 42.43 ? 96  GLN   B NE2 1 
ATOM   790  N N   . PHE   A 1 91  ? -41.238 -19.346 -27.854 1.00 15.90 ? 97  PHE   B N   1 
ATOM   791  C CA  . PHE   A 1 91  ? -40.212 -20.343 -27.486 1.00 15.69 ? 97  PHE   B CA  1 
ATOM   792  C C   . PHE   A 1 91  ? -39.721 -20.071 -26.073 1.00 15.34 ? 97  PHE   B C   1 
ATOM   793  O O   . PHE   A 1 91  ? -39.859 -18.960 -25.556 1.00 16.89 ? 97  PHE   B O   1 
ATOM   794  C CB  . PHE   A 1 91  ? -39.024 -20.302 -28.445 1.00 15.25 ? 97  PHE   B CB  1 
ATOM   795  C CG  . PHE   A 1 91  ? -38.394 -18.932 -28.594 1.00 14.70 ? 97  PHE   B CG  1 
ATOM   796  C CD1 . PHE   A 1 91  ? -37.390 -18.527 -27.725 1.00 14.56 ? 97  PHE   B CD1 1 
ATOM   797  C CD2 . PHE   A 1 91  ? -38.742 -18.062 -29.622 1.00 14.44 ? 97  PHE   B CD2 1 
ATOM   798  C CE1 . PHE   A 1 91  ? -36.767 -17.292 -27.855 1.00 14.04 ? 97  PHE   B CE1 1 
ATOM   799  C CE2 . PHE   A 1 91  ? -38.132 -16.821 -29.750 1.00 13.94 ? 97  PHE   B CE2 1 
ATOM   800  C CZ  . PHE   A 1 91  ? -37.141 -16.443 -28.870 1.00 14.42 ? 97  PHE   B CZ  1 
ATOM   801  N N   A SER   A 1 92  ? -39.164 -21.087 -25.414 0.25 15.46 ? 98  SER   B N   1 
ATOM   802  N N   B SER   A 1 92  ? -39.137 -21.110 -25.472 0.25 14.75 ? 98  SER   B N   1 
ATOM   803  C CA  A SER   A 1 92  ? -38.542 -20.913 -24.078 0.25 15.73 ? 98  SER   B CA  1 
ATOM   804  C CA  B SER   A 1 92  ? -38.489 -21.072 -24.141 0.25 14.70 ? 98  SER   B CA  1 
ATOM   805  C C   A SER   A 1 92  ? -37.026 -20.797 -24.236 0.25 14.37 ? 98  SER   B C   1 
ATOM   806  C C   B SER   A 1 92  ? -37.001 -20.744 -24.310 0.25 13.69 ? 98  SER   B C   1 
ATOM   807  O O   A SER   A 1 92  ? -36.434 -21.421 -25.136 0.25 14.20 ? 98  SER   B O   1 
ATOM   808  O O   B SER   A 1 92  ? -36.399 -21.132 -25.349 0.25 13.53 ? 98  SER   B O   1 
ATOM   809  C CB  A SER   A 1 92  ? -38.887 -22.016 -23.131 0.25 18.01 ? 98  SER   B CB  1 
ATOM   810  C CB  B SER   A 1 92  ? -38.686 -22.380 -23.417 0.25 15.59 ? 98  SER   B CB  1 
ATOM   811  O OG  A SER   A 1 92  ? -38.480 -23.252 -23.678 0.25 20.80 ? 98  SER   B OG  1 
ATOM   812  O OG  B SER   A 1 92  ? -40.054 -22.544 -23.053 0.25 17.42 ? 98  SER   B OG  1 
ATOM   813  N N   . LEU   A 1 93  ? -36.434 -20.025 -23.340 1.00 13.34 ? 99  LEU   B N   1 
ATOM   814  C CA  . LEU   A 1 93  ? -34.985 -19.866 -23.257 1.00 13.76 ? 99  LEU   B CA  1 
ATOM   815  C C   . LEU   A 1 93  ? -34.405 -21.072 -22.564 1.00 14.06 ? 99  LEU   B C   1 
ATOM   816  O O   . LEU   A 1 93  ? -34.494 -21.232 -21.341 1.00 15.96 ? 99  LEU   B O   1 
ATOM   817  C CB  . LEU   A 1 93  ? -34.610 -18.608 -22.491 1.00 14.38 ? 99  LEU   B CB  1 
ATOM   818  C CG  . LEU   A 1 93  ? -35.094 -17.311 -23.127 1.00 14.77 ? 99  LEU   B CG  1 
ATOM   819  C CD1 . LEU   A 1 93  ? -34.724 -16.119 -22.233 1.00 15.73 ? 99  LEU   B CD1 1 
ATOM   820  C CD2 . LEU   A 1 93  ? -34.544 -17.104 -24.531 1.00 16.34 ? 99  LEU   B CD2 1 
ATOM   821  N N   . SER   A 1 94  ? -33.701 -21.922 -23.308 1.00 12.61 ? 100 SER   B N   1 
ATOM   822  C CA  . SER   A 1 94  ? -33.114 -23.164 -22.773 1.00 12.94 ? 100 SER   B CA  1 
ATOM   823  C C   . SER   A 1 94  ? -31.891 -23.511 -23.603 1.00 11.05 ? 100 SER   B C   1 
ATOM   824  O O   . SER   A 1 94  ? -31.859 -23.188 -24.794 1.00 10.99 ? 100 SER   B O   1 
ATOM   825  C CB  . SER   A 1 94  ? -34.075 -24.345 -22.788 1.00 14.64 ? 100 SER   B CB  1 
ATOM   826  O OG  . SER   A 1 94  ? -34.425 -24.663 -24.118 1.00 17.40 ? 100 SER   B OG  1 
ATOM   827  N N   . PRO   A 1 95  ? -30.969 -24.297 -23.079 1.00 11.09 ? 101 PRO   B N   1 
ATOM   828  C CA  . PRO   A 1 95  ? -29.849 -24.778 -23.890 1.00 12.64 ? 101 PRO   B CA  1 
ATOM   829  C C   . PRO   A 1 95  ? -30.343 -25.663 -25.042 1.00 12.05 ? 101 PRO   B C   1 
ATOM   830  O O   . PRO   A 1 95  ? -29.774 -25.550 -26.157 1.00 12.68 ? 101 PRO   B O   1 
ATOM   831  C CB  . PRO   A 1 95  ? -28.951 -25.564 -22.899 1.00 12.68 ? 101 PRO   B CB  1 
ATOM   832  C CG  . PRO   A 1 95  ? -29.264 -24.864 -21.563 1.00 13.12 ? 101 PRO   B CG  1 
ATOM   833  C CD  . PRO   A 1 95  ? -30.750 -24.564 -21.660 1.00 12.51 ? 101 PRO   B CD  1 
ATOM   834  N N   . GLU   A 1 96  ? -31.412 -26.426 -24.850 1.00 13.29 ? 102 GLU   B N   1 
ATOM   835  C CA  . GLU   A 1 96  ? -31.957 -27.255 -25.948 1.00 15.73 ? 102 GLU   B CA  1 
ATOM   836  C C   . GLU   A 1 96  ? -32.377 -26.362 -27.121 1.00 14.81 ? 102 GLU   B C   1 
ATOM   837  O O   . GLU   A 1 96  ? -32.357 -26.814 -28.278 1.00 16.14 ? 102 GLU   B O   1 
ATOM   838  C CB  . GLU   A 1 96  ? -33.114 -28.094 -25.418 1.00 20.38 ? 102 GLU   B CB  1 
ATOM   839  C CG  . GLU   A 1 96  ? -32.747 -28.961 -24.229 1.00 28.93 ? 102 GLU   B CG  1 
ATOM   840  C CD  . GLU   A 1 96  ? -33.127 -28.423 -22.851 1.00 34.35 ? 102 GLU   B CD  1 
ATOM   841  O OE1 . GLU   A 1 96  ? -32.399 -27.531 -22.285 1.00 22.56 ? 102 GLU   B OE1 1 
ATOM   842  O OE2 . GLU   A 1 96  ? -34.151 -28.938 -22.313 1.00 42.68 ? 102 GLU   B OE2 1 
ATOM   843  N N   . ASN   A 1 97  ? -32.864 -25.140 -26.883 1.00 12.57 ? 103 ASN   B N   1 
ATOM   844  C CA  . ASN   A 1 97  ? -33.261 -24.191 -27.943 1.00 12.93 ? 103 ASN   B CA  1 
ATOM   845  C C   . ASN   A 1 97  ? -32.115 -23.268 -28.344 1.00 11.63 ? 103 ASN   B C   1 
ATOM   846  O O   . ASN   A 1 97  ? -32.306 -22.425 -29.224 1.00 12.84 ? 103 ASN   B O   1 
ATOM   847  C CB  . ASN   A 1 97  ? -34.485 -23.367 -27.520 1.00 13.82 ? 103 ASN   B CB  1 
ATOM   848  C CG  . ASN   A 1 97  ? -35.757 -24.165 -27.487 1.00 16.43 ? 103 ASN   B CG  1 
ATOM   849  O OD1 . ASN   A 1 97  ? -35.862 -25.230 -28.121 1.00 19.01 ? 103 ASN   B OD1 1 
ATOM   850  N ND2 . ASN   A 1 97  ? -36.735 -23.693 -26.726 1.00 17.62 ? 103 ASN   B ND2 1 
ATOM   851  N N   . GLY   A 1 98  ? -30.906 -23.459 -27.831 1.00 10.45 ? 104 GLY   B N   1 
ATOM   852  C CA  . GLY   A 1 98  ? -29.730 -22.684 -28.229 1.00 10.11 ? 104 GLY   B CA  1 
ATOM   853  C C   . GLY   A 1 98  ? -29.471 -21.396 -27.460 1.00 8.81  ? 104 GLY   B C   1 
ATOM   854  O O   . GLY   A 1 98  ? -28.831 -20.503 -27.968 1.00 10.09 ? 104 GLY   B O   1 
ATOM   855  N N   . PHE   A 1 99  ? -29.947 -21.350 -26.188 1.00 9.26  ? 105 PHE   B N   1 
ATOM   856  C CA  . PHE   A 1 99  ? -29.741 -20.154 -25.315 1.00 9.14  ? 105 PHE   B CA  1 
ATOM   857  C C   . PHE   A 1 99  ? -29.051 -20.519 -24.000 1.00 8.28  ? 105 PHE   B C   1 
ATOM   858  O O   . PHE   A 1 99  ? -29.490 -21.521 -23.384 1.00 10.07 ? 105 PHE   B O   1 
ATOM   859  C CB  . PHE   A 1 99  ? -31.084 -19.498 -24.976 1.00 10.07 ? 105 PHE   B CB  1 
ATOM   860  C CG  . PHE   A 1 99  ? -31.876 -19.003 -26.167 1.00 9.76  ? 105 PHE   B CG  1 
ATOM   861  C CD1 . PHE   A 1 99  ? -32.787 -19.811 -26.816 1.00 10.21 ? 105 PHE   B CD1 1 
ATOM   862  C CD2 . PHE   A 1 99  ? -31.752 -17.702 -26.601 1.00 10.08 ? 105 PHE   B CD2 1 
ATOM   863  C CE1 . PHE   A 1 99  ? -33.511 -19.344 -27.910 1.00 10.93 ? 105 PHE   B CE1 1 
ATOM   864  C CE2 . PHE   A 1 99  ? -32.478 -17.247 -27.678 1.00 10.86 ? 105 PHE   B CE2 1 
ATOM   865  C CZ  . PHE   A 1 99  ? -33.364 -18.061 -28.309 1.00 10.48 ? 105 PHE   B CZ  1 
ATOM   866  N N   . TRP   A 1 100 ? -28.110 -19.696 -23.574 1.00 8.27  ? 106 TRP   B N   1 
ATOM   867  C CA  . TRP   A 1 100 ? -27.438 -19.797 -22.261 1.00 8.62  ? 106 TRP   B CA  1 
ATOM   868  C C   . TRP   A 1 100 ? -27.594 -18.436 -21.603 1.00 7.96  ? 106 TRP   B C   1 
ATOM   869  O O   . TRP   A 1 100 ? -26.861 -17.503 -21.915 1.00 8.99  ? 106 TRP   B O   1 
ATOM   870  C CB  . TRP   A 1 100 ? -25.979 -20.246 -22.406 1.00 8.62  ? 106 TRP   B CB  1 
ATOM   871  C CG  . TRP   A 1 100 ? -25.880 -21.617 -23.031 1.00 8.68  ? 106 TRP   B CG  1 
ATOM   872  C CD1 . TRP   A 1 100 ? -25.813 -22.824 -22.404 1.00 10.40 ? 106 TRP   B CD1 1 
ATOM   873  C CD2 . TRP   A 1 100 ? -25.892 -21.935 -24.451 1.00 9.17  ? 106 TRP   B CD2 1 
ATOM   874  N NE1 . TRP   A 1 100 ? -25.832 -23.862 -23.315 1.00 10.44 ? 106 TRP   B NE1 1 
ATOM   875  C CE2 . TRP   A 1 100 ? -25.883 -23.338 -24.579 1.00 10.13 ? 106 TRP   B CE2 1 
ATOM   876  C CE3 . TRP   A 1 100 ? -25.953 -21.154 -25.611 1.00 9.75  ? 106 TRP   B CE3 1 
ATOM   877  C CZ2 . TRP   A 1 100 ? -25.939 -23.946 -25.847 1.00 10.81 ? 106 TRP   B CZ2 1 
ATOM   878  C CZ3 . TRP   A 1 100 ? -25.982 -21.769 -26.851 1.00 11.26 ? 106 TRP   B CZ3 1 
ATOM   879  C CH2 . TRP   A 1 100 ? -26.003 -23.134 -26.947 1.00 11.66 ? 106 TRP   B CH2 1 
ATOM   880  N N   . THR   A 1 101 ? -28.595 -18.341 -20.710 1.00 8.30  ? 107 THR   B N   1 
ATOM   881  C CA  . THR   A 1 101 ? -29.112 -17.041 -20.228 1.00 8.54  ? 107 THR   B CA  1 
ATOM   882  C C   . THR   A 1 101 ? -29.437 -17.108 -18.728 1.00 8.10  ? 107 THR   B C   1 
ATOM   883  O O   . THR   A 1 101 ? -29.718 -18.182 -18.183 1.00 8.61  ? 107 THR   B O   1 
ATOM   884  C CB  . THR   A 1 101 ? -30.362 -16.586 -20.986 1.00 8.83  ? 107 THR   B CB  1 
ATOM   885  O OG1 . THR   A 1 101 ? -31.438 -17.491 -20.774 1.00 10.08 ? 107 THR   B OG1 1 
ATOM   886  C CG2 . THR   A 1 101 ? -30.058 -16.387 -22.458 1.00 9.41  ? 107 THR   B CG2 1 
ATOM   887  N N   . ILE   A 1 102 ? -29.487 -15.917 -18.139 1.00 8.66  ? 108 ILE   B N   1 
ATOM   888  C CA  . ILE   A 1 102 ? -30.125 -15.703 -16.793 1.00 8.67  ? 108 ILE   B CA  1 
ATOM   889  C C   . ILE   A 1 102 ? -31.136 -14.574 -16.968 1.00 8.76  ? 108 ILE   B C   1 
ATOM   890  O O   . ILE   A 1 102 ? -31.067 -13.800 -17.972 1.00 9.05  ? 108 ILE   B O   1 
ATOM   891  C CB  . ILE   A 1 102 ? -29.107 -15.394 -15.667 1.00 8.84  ? 108 ILE   B CB  1 
ATOM   892  C CG1 . ILE   A 1 102 ? -28.403 -14.048 -15.844 1.00 9.64  ? 108 ILE   B CG1 1 
ATOM   893  C CG2 . ILE   A 1 102 ? -28.103 -16.538 -15.567 1.00 9.45  ? 108 ILE   B CG2 1 
ATOM   894  C CD1 . ILE   A 1 102 ? -27.587 -13.597 -14.656 1.00 10.29 ? 108 ILE   B CD1 1 
ATOM   895  N N   . TRP   A 1 103 ? -32.016 -14.433 -15.994 1.00 8.80  ? 109 TRP   B N   1 
ATOM   896  C CA  . TRP   A 1 103 ? -33.019 -13.361 -16.055 1.00 9.51  ? 109 TRP   B CA  1 
ATOM   897  C C   . TRP   A 1 103 ? -33.410 -12.909 -14.675 1.00 9.64  ? 109 TRP   B C   1 
ATOM   898  O O   . TRP   A 1 103 ? -33.243 -13.588 -13.644 1.00 9.93  ? 109 TRP   B O   1 
ATOM   899  C CB  . TRP   A 1 103 ? -34.209 -13.781 -16.863 1.00 11.82 ? 109 TRP   B CB  1 
ATOM   900  C CG  . TRP   A 1 103 ? -34.999 -14.898 -16.316 1.00 13.39 ? 109 TRP   B CG  1 
ATOM   901  C CD1 . TRP   A 1 103 ? -35.846 -14.902 -15.249 1.00 13.64 ? 109 TRP   B CD1 1 
ATOM   902  C CD2 . TRP   A 1 103 ? -35.145 -16.151 -16.957 1.00 13.82 ? 109 TRP   B CD2 1 
ATOM   903  N NE1 . TRP   A 1 103 ? -36.509 -16.088 -15.195 1.00 16.41 ? 109 TRP   B NE1 1 
ATOM   904  C CE2 . TRP   A 1 103 ? -36.108 -16.885 -16.234 1.00 14.30 ? 109 TRP   B CE2 1 
ATOM   905  C CE3 . TRP   A 1 103 ? -34.582 -16.717 -18.097 1.00 15.29 ? 109 TRP   B CE3 1 
ATOM   906  C CZ2 . TRP   A 1 103 ? -36.478 -18.188 -16.576 1.00 18.08 ? 109 TRP   B CZ2 1 
ATOM   907  C CZ3 . TRP   A 1 103 ? -34.963 -17.987 -18.453 1.00 16.95 ? 109 TRP   B CZ3 1 
ATOM   908  C CH2 . TRP   A 1 103 ? -35.894 -18.694 -17.713 1.00 16.85 ? 109 TRP   B CH2 1 
ATOM   909  N N   . LEU   A 1 104 ? -34.027 -11.716 -14.678 1.00 9.24  ? 110 LEU   B N   1 
ATOM   910  C CA  . LEU   A 1 104 ? -34.813 -11.162 -13.551 1.00 9.65  ? 110 LEU   B CA  1 
ATOM   911  C C   . LEU   A 1 104 ? -36.266 -11.112 -13.970 1.00 9.48  ? 110 LEU   B C   1 
ATOM   912  O O   . LEU   A 1 104 ? -36.580 -10.650 -15.067 1.00 9.78  ? 110 LEU   B O   1 
ATOM   913  C CB  . LEU   A 1 104 ? -34.355 -9.757  -13.237 1.00 10.18 ? 110 LEU   B CB  1 
ATOM   914  C CG  . LEU   A 1 104 ? -35.192 -8.980  -12.211 1.00 10.80 ? 110 LEU   B CG  1 
ATOM   915  C CD1 . LEU   A 1 104 ? -35.211 -9.646  -10.837 1.00 10.89 ? 110 LEU   B CD1 1 
ATOM   916  C CD2 . LEU   A 1 104 ? -34.723 -7.556  -12.110 1.00 12.28 ? 110 LEU   B CD2 1 
ATOM   917  N N   . TRP   A 1 105 ? -37.153 -11.576 -13.096 1.00 10.61 ? 111 TRP   B N   1 
ATOM   918  C CA  . TRP   A 1 105 ? -38.600 -11.566 -13.355 1.00 11.20 ? 111 TRP   B CA  1 
ATOM   919  C C   . TRP   A 1 105 ? -39.311 -11.606 -12.007 1.00 12.67 ? 111 TRP   B C   1 
ATOM   920  O O   . TRP   A 1 105 ? -39.030 -12.504 -11.190 1.00 12.93 ? 111 TRP   B O   1 
ATOM   921  C CB  . TRP   A 1 105 ? -38.971 -12.803 -14.163 1.00 14.35 ? 111 TRP   B CB  1 
ATOM   922  C CG  . TRP   A 1 105 ? -40.425 -13.050 -14.271 1.00 16.42 ? 111 TRP   B CG  1 
ATOM   923  C CD1 . TRP   A 1 105 ? -41.197 -14.072 -13.766 1.00 17.79 ? 111 TRP   B CD1 1 
ATOM   924  C CD2 . TRP   A 1 105 ? -41.287 -12.243 -15.071 1.00 16.94 ? 111 TRP   B CD2 1 
ATOM   925  N NE1 . TRP   A 1 105 ? -42.485 -13.897 -14.160 1.00 18.21 ? 111 TRP   B NE1 1 
ATOM   926  C CE2 . TRP   A 1 105 ? -42.573 -12.796 -14.970 1.00 16.39 ? 111 TRP   B CE2 1 
ATOM   927  C CE3 . TRP   A 1 105 ? -41.120 -11.100 -15.861 1.00 16.54 ? 111 TRP   B CE3 1 
ATOM   928  C CZ2 . TRP   A 1 105 ? -43.682 -12.266 -15.621 1.00 19.91 ? 111 TRP   B CZ2 1 
ATOM   929  C CZ3 . TRP   A 1 105 ? -42.226 -10.540 -16.466 1.00 20.74 ? 111 TRP   B CZ3 1 
ATOM   930  C CH2 . TRP   A 1 105 ? -43.491 -11.112 -16.357 1.00 20.07 ? 111 TRP   B CH2 1 
ATOM   931  N N   . GLN   A 1 106 ? -40.208 -10.644 -11.738 1.00 11.51 ? 112 GLN   B N   1 
ATOM   932  C CA  . GLN   A 1 106 ? -41.054 -10.689 -10.507 1.00 11.29 ? 112 GLN   B CA  1 
ATOM   933  C C   . GLN   A 1 106 ? -40.168 -10.875 -9.302  1.00 12.71 ? 112 GLN   B C   1 
ATOM   934  O O   . GLN   A 1 106 ? -40.529 -11.724 -8.413  1.00 14.82 ? 112 GLN   B O   1 
ATOM   935  C CB  . GLN   A 1 106 ? -42.155 -11.722 -10.659 1.00 12.87 ? 112 GLN   B CB  1 
ATOM   936  C CG  . GLN   A 1 106 ? -43.074 -11.384 -11.801 1.00 14.35 ? 112 GLN   B CG  1 
ATOM   937  C CD  . GLN   A 1 106 ? -44.341 -12.199 -11.875 1.00 15.92 ? 112 GLN   B CD  1 
ATOM   938  O OE1 . GLN   A 1 106 ? -45.283 -11.868 -12.605 1.00 19.04 ? 112 GLN   B OE1 1 
ATOM   939  N NE2 . GLN   A 1 106 ? -44.400 -13.292 -11.137 1.00 15.32 ? 112 GLN   B NE2 1 
ATOM   940  N N   . ASP   A 1 107 ? -39.145 -10.071 -9.169  1.00 13.53 ? 113 ASP   B N   1 
ATOM   941  C CA  . ASP   A 1 107 ? -38.351 -9.958  -7.941  1.00 17.42 ? 113 ASP   B CA  1 
ATOM   942  C C   . ASP   A 1 107 ? -37.548 -11.238 -7.660  1.00 18.11 ? 113 ASP   B C   1 
ATOM   943  O O   . ASP   A 1 107 ? -36.983 -11.311 -6.537  1.00 25.38 ? 113 ASP   B O   1 
ATOM   944  C CB  . ASP   A 1 107 ? -39.320 -9.665  -6.794  1.00 21.13 ? 113 ASP   B CB  1 
ATOM   945  C CG  . ASP   A 1 107 ? -38.700 -9.041  -5.590  1.00 28.53 ? 113 ASP   B CG  1 
ATOM   946  O OD1 . ASP   A 1 107 ? -37.755 -8.231  -5.744  1.00 30.92 ? 113 ASP   B OD1 1 
ATOM   947  O OD2 . ASP   A 1 107 ? -39.230 -9.339  -4.485  1.00 35.42 ? 113 ASP   B OD2 1 
ATOM   948  N N   . SER   A 1 108 ? -37.377 -12.126 -8.631  1.00 14.59 ? 114 SER   B N   1 
ATOM   949  C CA  . SER   A 1 108 ? -36.470 -13.296 -8.489  1.00 16.44 ? 114 SER   B CA  1 
ATOM   950  C C   . SER   A 1 108 ? -35.543 -13.392 -9.697  1.00 13.22 ? 114 SER   B C   1 
ATOM   951  O O   . SER   A 1 108 ? -35.947 -13.078 -10.857 1.00 13.70 ? 114 SER   B O   1 
ATOM   952  C CB  . SER   A 1 108 ? -37.251 -14.535 -8.173  1.00 19.57 ? 114 SER   B CB  1 
ATOM   953  O OG  . SER   A 1 108 ? -37.941 -15.025 -9.283  1.00 28.22 ? 114 SER   B OG  1 
ATOM   954  N N   . TYR   A 1 109 ? -34.356 -13.920 -9.462  1.00 11.62 ? 115 TYR   B N   1 
ATOM   955  C CA  . TYR   A 1 109 ? -33.340 -14.218 -10.505 1.00 11.15 ? 115 TYR   B CA  1 
ATOM   956  C C   . TYR   A 1 109 ? -33.317 -15.705 -10.760 1.00 10.30 ? 115 TYR   B C   1 
ATOM   957  O O   . TYR   A 1 109 ? -33.332 -16.513 -9.799  1.00 11.39 ? 115 TYR   B O   1 
ATOM   958  C CB  . TYR   A 1 109 ? -31.992 -13.693 -10.050 1.00 11.94 ? 115 TYR   B CB  1 
ATOM   959  C CG  . TYR   A 1 109 ? -31.932 -12.188 -9.828  1.00 11.82 ? 115 TYR   B CG  1 
ATOM   960  C CD1 . TYR   A 1 109 ? -32.158 -11.649 -8.560  1.00 12.73 ? 115 TYR   B CD1 1 
ATOM   961  C CD2 . TYR   A 1 109 ? -31.569 -11.323 -10.848 1.00 11.41 ? 115 TYR   B CD2 1 
ATOM   962  C CE1 . TYR   A 1 109 ? -32.072 -10.283 -8.339  1.00 12.91 ? 115 TYR   B CE1 1 
ATOM   963  C CE2 . TYR   A 1 109 ? -31.497 -9.958  -10.641 1.00 11.62 ? 115 TYR   B CE2 1 
ATOM   964  C CZ  . TYR   A 1 109 ? -31.735 -9.447  -9.382  1.00 11.80 ? 115 TYR   B CZ  1 
ATOM   965  O OH  . TYR   A 1 109 ? -31.700 -8.095  -9.137  1.00 13.28 ? 115 TYR   B OH  1 
ATOM   966  N N   A GLU   A 1 110 ? -33.287 -16.102 -12.037 0.25 10.16 ? 116 GLU   B N   1 
ATOM   967  N N   B GLU   A 1 110 ? -33.329 -16.093 -12.041 0.25 10.36 ? 116 GLU   B N   1 
ATOM   968  C CA  A GLU   A 1 110 ? -33.286 -17.535 -12.431 0.25 10.43 ? 116 GLU   B CA  1 
ATOM   969  C CA  B GLU   A 1 110 ? -33.306 -17.513 -12.477 0.25 10.76 ? 116 GLU   B CA  1 
ATOM   970  C C   A GLU   A 1 110 ? -32.375 -17.761 -13.639 0.25 9.57  ? 116 GLU   B C   1 
ATOM   971  C C   B GLU   A 1 110 ? -32.253 -17.700 -13.575 0.25 9.56  ? 116 GLU   B C   1 
ATOM   972  O O   A GLU   A 1 110 ? -32.288 -16.907 -14.515 0.25 9.38  ? 116 GLU   B O   1 
ATOM   973  O O   B GLU   A 1 110 ? -31.904 -16.722 -14.287 0.25 8.90  ? 116 GLU   B O   1 
ATOM   974  C CB  A GLU   A 1 110 ? -34.703 -18.016 -12.731 0.25 11.64 ? 116 GLU   B CB  1 
ATOM   975  C CB  B GLU   A 1 110 ? -34.682 -17.954 -12.973 0.25 12.46 ? 116 GLU   B CB  1 
ATOM   976  C CG  A GLU   A 1 110 ? -35.667 -17.919 -11.545 0.25 13.26 ? 116 GLU   B CG  1 
ATOM   977  C CG  B GLU   A 1 110 ? -35.806 -17.798 -11.948 0.25 14.95 ? 116 GLU   B CG  1 
ATOM   978  C CD  A GLU   A 1 110 ? -37.102 -18.260 -11.910 0.25 14.56 ? 116 GLU   B CD  1 
ATOM   979  C CD  B GLU   A 1 110 ? -36.001 -18.980 -11.009 0.25 16.21 ? 116 GLU   B CD  1 
ATOM   980  O OE1 A GLU   A 1 110 ? -37.557 -17.844 -12.987 0.25 16.77 ? 116 GLU   B OE1 1 
ATOM   981  O OE1 B GLU   A 1 110 ? -35.500 -20.085 -11.311 0.25 20.82 ? 116 GLU   B OE1 1 
ATOM   982  O OE2 A GLU   A 1 110 ? -37.761 -18.944 -11.118 0.25 15.18 ? 116 GLU   B OE2 1 
ATOM   983  O OE2 B GLU   A 1 110 ? -36.703 -18.807 -9.998  0.25 21.82 ? 116 GLU   B OE2 1 
ATOM   984  N N   . ALA   A 1 111 ? -31.755 -18.937 -13.695 1.00 9.61  ? 117 ALA   B N   1 
ATOM   985  C CA  . ALA   A 1 111 ? -30.998 -19.356 -14.884 1.00 9.99  ? 117 ALA   B CA  1 
ATOM   986  C C   . ALA   A 1 111 ? -31.944 -20.077 -15.821 1.00 9.99  ? 117 ALA   B C   1 
ATOM   987  O O   . ALA   A 1 111 ? -32.810 -20.887 -15.398 1.00 10.18 ? 117 ALA   B O   1 
ATOM   988  C CB  . ALA   A 1 111 ? -29.838 -20.271 -14.513 1.00 10.00 ? 117 ALA   B CB  1 
ATOM   989  N N   . GLY   A 1 112 ? -31.765 -19.828 -17.131 1.00 9.78  ? 118 GLY   B N   1 
ATOM   990  C CA  . GLY   A 1 112 ? -32.577 -20.393 -18.214 1.00 11.31 ? 118 GLY   B CA  1 
ATOM   991  C C   . GLY   A 1 112 ? -32.213 -21.824 -18.533 1.00 11.56 ? 118 GLY   B C   1 
ATOM   992  O O   . GLY   A 1 112 ? -31.875 -22.183 -19.646 1.00 14.37 ? 118 GLY   B O   1 
ATOM   993  N N   . THR   A 1 113 ? -32.214 -22.718 -17.564 1.00 14.35 ? 119 THR   B N   1 
ATOM   994  C CA  . THR   A 1 113 ? -32.242 -24.170 -17.782 1.00 15.32 ? 119 THR   B CA  1 
ATOM   995  C C   . THR   A 1 113 ? -33.669 -24.631 -18.030 1.00 15.25 ? 119 THR   B C   1 
ATOM   996  O O   . THR   A 1 113 ? -34.603 -23.863 -17.839 1.00 17.79 ? 119 THR   B O   1 
ATOM   997  C CB  . THR   A 1 113 ? -31.626 -24.810 -16.554 1.00 13.12 ? 119 THR   B CB  1 
ATOM   998  O OG1 . THR   A 1 113 ? -32.311 -24.369 -15.362 1.00 12.90 ? 119 THR   B OG1 1 
ATOM   999  C CG2 . THR   A 1 113 ? -30.177 -24.510 -16.373 1.00 14.36 ? 119 THR   B CG2 1 
ATOM   1000 N N   . SER   A 1 114 ? -33.868 -25.913 -18.354 1.00 18.86 ? 120 SER   B N   1 
ATOM   1001 C CA  . SER   A 1 114 ? -35.233 -26.459 -18.519 1.00 21.66 ? 120 SER   B CA  1 
ATOM   1002 C C   . SER   A 1 114 ? -35.417 -27.654 -17.583 1.00 23.15 ? 120 SER   B C   1 
ATOM   1003 O O   . SER   A 1 114 ? -34.763 -28.678 -17.765 1.00 25.44 ? 120 SER   B O   1 
ATOM   1004 C CB  . SER   A 1 114 ? -35.514 -26.807 -19.983 1.00 25.49 ? 120 SER   B CB  1 
ATOM   1005 O OG  . SER   A 1 114 ? -36.833 -27.342 -20.115 1.00 29.71 ? 120 SER   B OG  1 
ATOM   1006 N N   . PRO   A 1 115 ? -36.169 -27.516 -16.474 1.00 20.83 ? 121 PRO   B N   1 
ATOM   1007 C CA  . PRO   A 1 115 ? -36.837 -26.279 -16.067 1.00 20.64 ? 121 PRO   B CA  1 
ATOM   1008 C C   . PRO   A 1 115 ? -35.827 -25.288 -15.453 1.00 16.88 ? 121 PRO   B C   1 
ATOM   1009 O O   . PRO   A 1 115 ? -34.693 -25.627 -15.190 1.00 15.57 ? 121 PRO   B O   1 
ATOM   1010 C CB  . PRO   A 1 115 ? -37.850 -26.758 -15.028 1.00 24.09 ? 121 PRO   B CB  1 
ATOM   1011 C CG  . PRO   A 1 115 ? -37.131 -27.913 -14.367 1.00 23.24 ? 121 PRO   B CG  1 
ATOM   1012 C CD  . PRO   A 1 115 ? -36.323 -28.589 -15.466 1.00 23.54 ? 121 PRO   B CD  1 
ATOM   1013 N N   . GLN   A 1 116 ? -36.263 -24.060 -15.261 1.00 15.61 ? 122 GLN   B N   1 
ATOM   1014 C CA  . GLN   A 1 116 ? -35.403 -22.959 -14.767 1.00 14.31 ? 122 GLN   B CA  1 
ATOM   1015 C C   . GLN   A 1 116 ? -34.862 -23.254 -13.356 1.00 12.49 ? 122 GLN   B C   1 
ATOM   1016 O O   . GLN   A 1 116 ? -35.499 -23.994 -12.578 1.00 14.15 ? 122 GLN   B O   1 
ATOM   1017 C CB  . GLN   A 1 116 ? -36.126 -21.610 -14.849 1.00 18.96 ? 122 GLN   B CB  1 
ATOM   1018 C CG  . GLN   A 1 116 ? -37.244 -21.375 -13.848 1.00 25.50 ? 122 GLN   B CG  1 
ATOM   1019 C CD  . GLN   A 1 116 ? -38.618 -21.795 -14.315 1.00 34.00 ? 122 GLN   B CD  1 
ATOM   1020 O OE1 . GLN   A 1 116 ? -38.786 -22.682 -15.154 1.00 38.78 ? 122 GLN   B OE1 1 
ATOM   1021 N NE2 . GLN   A 1 116 ? -39.630 -21.163 -13.735 1.00 40.19 ? 122 GLN   B NE2 1 
ATOM   1022 N N   . THR   A 1 117 ? -33.733 -22.666 -13.059 1.00 11.30 ? 123 THR   B N   1 
ATOM   1023 C CA  . THR   A 1 117 ? -33.011 -22.855 -11.789 1.00 11.02 ? 123 THR   B CA  1 
ATOM   1024 C C   . THR   A 1 117 ? -33.036 -21.555 -11.001 1.00 10.95 ? 123 THR   B C   1 
ATOM   1025 O O   . THR   A 1 117 ? -32.585 -20.518 -11.481 1.00 12.33 ? 123 THR   B O   1 
ATOM   1026 C CB  . THR   A 1 117 ? -31.584 -23.330 -12.066 1.00 10.83 ? 123 THR   B CB  1 
ATOM   1027 O OG1 . THR   A 1 117 ? -31.623 -24.562 -12.784 1.00 11.90 ? 123 THR   B OG1 1 
ATOM   1028 C CG2 . THR   A 1 117 ? -30.819 -23.509 -10.778 1.00 11.56 ? 123 THR   B CG2 1 
ATOM   1029 N N   . THR   A 1 118 ? -33.401 -21.642 -9.725  1.00 11.50 ? 124 THR   B N   1 
ATOM   1030 C CA  . THR   A 1 118 ? -33.357 -20.506 -8.793  1.00 12.09 ? 124 THR   B CA  1 
ATOM   1031 C C   . THR   A 1 118 ? -31.925 -20.042 -8.558  1.00 11.85 ? 124 THR   B C   1 
ATOM   1032 O O   . THR   A 1 118 ? -31.022 -20.902 -8.288  1.00 14.08 ? 124 THR   B O   1 
ATOM   1033 C CB  . THR   A 1 118 ? -34.014 -20.961 -7.473  1.00 14.87 ? 124 THR   B CB  1 
ATOM   1034 O OG1 . THR   A 1 118 ? -35.379 -21.275 -7.732  1.00 17.04 ? 124 THR   B OG1 1 
ATOM   1035 C CG2 . THR   A 1 118 ? -33.809 -19.937 -6.373  1.00 18.21 ? 124 THR   B CG2 1 
ATOM   1036 N N   . LEU   A 1 119 ? -31.663 -18.748 -8.632  1.00 11.28 ? 125 LEU   B N   1 
ATOM   1037 C CA  . LEU   A 1 119 ? -30.370 -18.148 -8.318  1.00 10.96 ? 125 LEU   B CA  1 
ATOM   1038 C C   . LEU   A 1 119 ? -30.426 -17.590 -6.893  1.00 13.27 ? 125 LEU   B C   1 
ATOM   1039 O O   . LEU   A 1 119 ? -31.551 -17.334 -6.388  1.00 18.01 ? 125 LEU   B O   1 
ATOM   1040 C CB  . LEU   A 1 119 ? -29.954 -17.066 -9.330  1.00 10.55 ? 125 LEU   B CB  1 
ATOM   1041 C CG  . LEU   A 1 119 ? -29.874 -17.554 -10.774 1.00 10.13 ? 125 LEU   B CG  1 
ATOM   1042 C CD1 . LEU   A 1 119 ? -29.615 -16.419 -11.749 1.00 10.86 ? 125 LEU   B CD1 1 
ATOM   1043 C CD2 . LEU   A 1 119 ? -28.797 -18.624 -10.913 1.00 11.46 ? 125 LEU   B CD2 1 
ATOM   1044 N N   . HIS   A 1 120 ? -29.286 -17.440 -6.263  1.00 12.08 ? 126 HIS   B N   1 
ATOM   1045 C CA  . HIS   A 1 120 ? -29.137 -16.997 -4.847  1.00 12.85 ? 126 HIS   B CA  1 
ATOM   1046 C C   . HIS   A 1 120 ? -28.289 -15.741 -4.896  1.00 14.51 ? 126 HIS   B C   1 
ATOM   1047 O O   . HIS   A 1 120 ? -27.036 -15.814 -4.952  1.00 20.46 ? 126 HIS   B O   1 
ATOM   1048 C CB  . HIS   A 1 120 ? -28.501 -18.114 -3.991  1.00 14.38 ? 126 HIS   B CB  1 
ATOM   1049 C CG  . HIS   A 1 120 ? -29.283 -19.382 -3.979  1.00 14.34 ? 126 HIS   B CG  1 
ATOM   1050 N ND1 . HIS   A 1 120 ? -28.988 -20.432 -4.831  1.00 17.56 ? 126 HIS   B ND1 1 
ATOM   1051 C CD2 . HIS   A 1 120 ? -30.349 -19.751 -3.265  1.00 17.18 ? 126 HIS   B CD2 1 
ATOM   1052 C CE1 . HIS   A 1 120 ? -29.861 -21.402 -4.596  1.00 17.84 ? 126 HIS   B CE1 1 
ATOM   1053 N NE2 . HIS   A 1 120 ? -30.690 -21.026 -3.642  1.00 17.01 ? 126 HIS   B NE2 1 
ATOM   1054 N N   . ILE   A 1 121 ? -28.910 -14.598 -4.972  1.00 16.05 ? 127 ILE   B N   1 
ATOM   1055 C CA  . ILE   A 1 121 ? -28.214 -13.290 -5.092  1.00 18.47 ? 127 ILE   B CA  1 
ATOM   1056 C C   . ILE   A 1 121 ? -28.604 -12.459 -3.849  1.00 19.33 ? 127 ILE   B C   1 
ATOM   1057 O O   . ILE   A 1 121 ? -29.775 -12.243 -3.629  1.00 25.60 ? 127 ILE   B O   1 
ATOM   1058 C CB  . ILE   A 1 121 ? -28.585 -12.603 -6.422  1.00 18.83 ? 127 ILE   B CB  1 
ATOM   1059 C CG1 . ILE   A 1 121 ? -28.136 -13.443 -7.638  1.00 17.68 ? 127 ILE   B CG1 1 
ATOM   1060 C CG2 . ILE   A 1 121 ? -28.034 -11.185 -6.409  1.00 23.54 ? 127 ILE   B CG2 1 
ATOM   1061 C CD1 . ILE   A 1 121 ? -28.385 -12.829 -8.999  1.00 17.27 ? 127 ILE   B CD1 1 
ATOM   1062 N N   . GLN   A 1 122 ? -27.632 -12.089 -3.049  1.00 22.44 ? 128 GLN   B N   1 
ATOM   1063 C CA  . GLN   A 1 122 ? -27.891 -11.302 -1.806  1.00 23.98 ? 128 GLN   B CA  1 
ATOM   1064 C C   . GLN   A 1 122 ? -27.884 -9.806  -2.131  1.00 22.86 ? 128 GLN   B C   1 
ATOM   1065 O O   . GLN   A 1 122 ? -28.684 -9.053  -1.510  1.00 23.33 ? 128 GLN   B O   1 
ATOM   1066 C CB  . GLN   A 1 122 ? -26.815 -11.642 -0.772  1.00 25.94 ? 128 GLN   B CB  1 
ATOM   1067 C CG  . GLN   A 1 122 ? -26.860 -10.805 0.513   1.00 33.47 ? 128 GLN   B CG  1 
ATOM   1068 C CD  . GLN   A 1 122 ? -28.138 -10.926 1.321   1.00 39.12 ? 128 GLN   B CD  1 
ATOM   1069 O OE1 . GLN   A 1 122 ? -28.823 -11.948 1.318   1.00 42.91 ? 128 GLN   B OE1 1 
ATOM   1070 N NE2 . GLN   A 1 122 ? -28.462 -9.869  2.052   1.00 41.21 ? 128 GLN   B NE2 1 
ATOM   1071 N N   . VAL   A 1 123 ? -27.086 -9.394  -3.118  1.00 19.27 ? 129 VAL   B N   1 
ATOM   1072 C CA  . VAL   A 1 123 ? -26.918 -7.950  -3.507  1.00 17.22 ? 129 VAL   B CA  1 
ATOM   1073 C C   . VAL   A 1 123 ? -27.475 -7.762  -4.912  1.00 16.37 ? 129 VAL   B C   1 
ATOM   1074 O O   . VAL   A 1 123 ? -26.841 -8.236  -5.880  1.00 15.86 ? 129 VAL   B O   1 
ATOM   1075 C CB  . VAL   A 1 123 ? -25.444 -7.528  -3.454  1.00 18.92 ? 129 VAL   B CB  1 
ATOM   1076 C CG1 . VAL   A 1 123 ? -25.236 -6.087  -3.948  1.00 19.42 ? 129 VAL   B CG1 1 
ATOM   1077 C CG2 . VAL   A 1 123 ? -24.875 -7.669  -2.042  1.00 21.03 ? 129 VAL   B CG2 1 
ATOM   1078 N N   . PRO   A 1 124 ? -28.693 -7.210  -5.110  1.00 15.37 ? 130 PRO   B N   1 
ATOM   1079 C CA  . PRO   A 1 124 ? -29.241 -7.108  -6.463  1.00 15.94 ? 130 PRO   B CA  1 
ATOM   1080 C C   . PRO   A 1 124 ? -28.262 -6.410  -7.380  1.00 15.23 ? 130 PRO   B C   1 
ATOM   1081 O O   . PRO   A 1 124 ? -27.743 -5.343  -7.093  1.00 15.77 ? 130 PRO   B O   1 
ATOM   1082 C CB  . PRO   A 1 124 ? -30.510 -6.263  -6.249  1.00 18.36 ? 130 PRO   B CB  1 
ATOM   1083 C CG  . PRO   A 1 124 ? -30.927 -6.654  -4.832  1.00 19.21 ? 130 PRO   B CG  1 
ATOM   1084 C CD  . PRO   A 1 124 ? -29.647 -6.757  -4.064  1.00 18.32 ? 130 PRO   B CD  1 
ATOM   1085 N N   . PRO   A 1 125 ? -27.884 -7.014  -8.517  1.00 13.69 ? 131 PRO   B N   1 
ATOM   1086 C CA  . PRO   A 1 125 ? -26.872 -6.436  -9.381  1.00 13.36 ? 131 PRO   B CA  1 
ATOM   1087 C C   . PRO   A 1 125 ? -27.383 -5.220  -10.158 1.00 13.01 ? 131 PRO   B C   1 
ATOM   1088 O O   . PRO   A 1 125 ? -28.481 -5.247  -10.656 1.00 13.85 ? 131 PRO   B O   1 
ATOM   1089 C CB  . PRO   A 1 125 ? -26.462 -7.619  -10.291 1.00 13.81 ? 131 PRO   B CB  1 
ATOM   1090 C CG  . PRO   A 1 125 ? -27.633 -8.525  -10.244 1.00 15.64 ? 131 PRO   B CG  1 
ATOM   1091 C CD  . PRO   A 1 125 ? -28.236 -8.394  -8.879  1.00 13.75 ? 131 PRO   B CD  1 
ATOM   1092 N N   . CYS   A 1 126 ? -26.523 -4.221  -10.291 1.00 13.17 ? 132 CYS   B N   1 
ATOM   1093 C CA  . CYS   A 1 126 ? -26.716 -3.109  -11.257 1.00 12.88 ? 132 CYS   B CA  1 
ATOM   1094 C C   . CYS   A 1 126 ? -25.921 -3.343  -12.531 1.00 12.14 ? 132 CYS   B C   1 
ATOM   1095 O O   . CYS   A 1 126 ? -26.217 -2.759  -13.559 1.00 12.22 ? 132 CYS   B O   1 
ATOM   1096 C CB  . CYS   A 1 126 ? -26.334 -1.763  -10.666 1.00 16.01 ? 132 CYS   B CB  1 
ATOM   1097 S SG  . CYS   A 1 126 ? -27.326 -1.328  -9.204  1.00 23.81 ? 132 CYS   B SG  1 
ATOM   1098 N N   A GLN   A 1 127 ? -24.833 -4.131  -12.468 0.25 12.07 ? 133 GLN   B N   1 
ATOM   1099 N N   B GLN   A 1 127 ? -24.977 -4.283  -12.451 0.25 12.26 ? 133 GLN   B N   1 
ATOM   1100 C CA  A GLN   A 1 127 ? -24.083 -4.557  -13.688 0.25 12.54 ? 133 GLN   B CA  1 
ATOM   1101 C CA  B GLN   A 1 127 ? -24.054 -4.595  -13.564 0.25 13.23 ? 133 GLN   B CA  1 
ATOM   1102 C C   A GLN   A 1 127 ? -23.713 -6.039  -13.576 0.25 11.91 ? 133 GLN   B C   1 
ATOM   1103 C C   B GLN   A 1 127 ? -23.800 -6.102  -13.535 0.25 12.27 ? 133 GLN   B C   1 
ATOM   1104 O O   A GLN   A 1 127 ? -23.279 -6.487  -12.491 0.25 11.06 ? 133 GLN   B O   1 
ATOM   1105 O O   B GLN   A 1 127 ? -23.669 -6.666  -12.425 0.25 11.31 ? 133 GLN   B O   1 
ATOM   1106 C CB  A GLN   A 1 127 ? -22.794 -3.776  -13.980 0.25 13.86 ? 133 GLN   B CB  1 
ATOM   1107 C CB  B GLN   A 1 127 ? -22.792 -3.741  -13.443 0.25 15.58 ? 133 GLN   B CB  1 
ATOM   1108 C CG  A GLN   A 1 127 ? -22.965 -2.279  -14.207 0.25 15.03 ? 133 GLN   B CG  1 
ATOM   1109 C CG  B GLN   A 1 127 ? -23.041 -2.254  -13.641 0.25 17.35 ? 133 GLN   B CG  1 
ATOM   1110 C CD  A GLN   A 1 127 ? -22.883 -1.520  -12.906 0.25 17.07 ? 133 GLN   B CD  1 
ATOM   1111 C CD  B GLN   A 1 127 ? -21.812 -1.492  -14.070 0.25 19.09 ? 133 GLN   B CD  1 
ATOM   1112 O OE1 A GLN   A 1 127 ? -22.141 -1.894  -12.001 0.25 17.91 ? 133 GLN   B OE1 1 
ATOM   1113 O OE1 B GLN   A 1 127 ? -20.701 -2.005  -14.054 0.25 22.37 ? 133 GLN   B OE1 1 
ATOM   1114 N NE2 A GLN   A 1 127 ? -23.670 -0.459  -12.790 0.25 17.17 ? 133 GLN   B NE2 1 
ATOM   1115 N NE2 B GLN   A 1 127 ? -22.011 -0.252  -14.463 0.25 21.00 ? 133 GLN   B NE2 1 
ATOM   1116 N N   . ILE   A 1 128 ? -23.845 -6.724  -14.717 1.00 11.31 ? 134 ILE   B N   1 
ATOM   1117 C CA  . ILE   A 1 128 ? -23.665 -8.193  -14.884 1.00 11.29 ? 134 ILE   B CA  1 
ATOM   1118 C C   . ILE   A 1 128 ? -22.445 -8.344  -15.796 1.00 10.85 ? 134 ILE   B C   1 
ATOM   1119 O O   . ILE   A 1 128 ? -22.400 -7.764  -16.902 1.00 10.92 ? 134 ILE   B O   1 
ATOM   1120 C CB  . ILE   A 1 128 ? -24.912 -8.851  -15.500 1.00 12.18 ? 134 ILE   B CB  1 
ATOM   1121 C CG1 . ILE   A 1 128 ? -26.224 -8.662  -14.708 1.00 15.59 ? 134 ILE   B CG1 1 
ATOM   1122 C CG2 . ILE   A 1 128 ? -24.641 -10.337 -15.790 1.00 12.38 ? 134 ILE   B CG2 1 
ATOM   1123 C CD1 . ILE   A 1 128 ? -26.228 -9.394  -13.464 1.00 15.08 ? 134 ILE   B CD1 1 
ATOM   1124 N N   . GLY   A 1 129 ? -21.502 -9.224  -15.423 1.00 11.09 ? 135 GLY   B N   1 
ATOM   1125 C CA  . GLY   A 1 129 ? -20.413 -9.691  -16.291 1.00 10.88 ? 135 GLY   B CA  1 
ATOM   1126 C C   . GLY   A 1 129 ? -20.721 -11.058 -16.875 1.00 10.32 ? 135 GLY   B C   1 
ATOM   1127 O O   . GLY   A 1 129 ? -21.288 -11.919 -16.202 1.00 11.19 ? 135 GLY   B O   1 
ATOM   1128 N N   . ILE   A 1 130 ? -20.472 -11.208 -18.180 1.00 10.63 ? 136 ILE   B N   1 
ATOM   1129 C CA  . ILE   A 1 130 ? -20.738 -12.470 -18.937 1.00 10.27 ? 136 ILE   B CA  1 
ATOM   1130 C C   . ILE   A 1 130 ? -19.423 -12.958 -19.526 1.00 10.81 ? 136 ILE   B C   1 
ATOM   1131 O O   . ILE   A 1 130 ? -18.733 -12.195 -20.212 1.00 10.90 ? 136 ILE   B O   1 
ATOM   1132 C CB  . ILE   A 1 130 ? -21.777 -12.225 -20.044 1.00 11.25 ? 136 ILE   B CB  1 
ATOM   1133 C CG1 . ILE   A 1 130 ? -23.064 -11.697 -19.419 1.00 12.48 ? 136 ILE   B CG1 1 
ATOM   1134 C CG2 . ILE   A 1 130 ? -22.062 -13.506 -20.823 1.00 12.64 ? 136 ILE   B CG2 1 
ATOM   1135 C CD1 . ILE   A 1 130 ? -24.089 -11.299 -20.377 1.00 15.89 ? 136 ILE   B CD1 1 
ATOM   1136 N N   . PHE   A 1 131 ? -19.066 -14.189 -19.184 1.00 10.38 ? 137 PHE   B N   1 
ATOM   1137 C CA  . PHE   A 1 131 ? -17.805 -14.823 -19.639 1.00 10.13 ? 137 PHE   B CA  1 
ATOM   1138 C C   . PHE   A 1 131 ? -18.160 -16.063 -20.431 1.00 10.28 ? 137 PHE   B C   1 
ATOM   1139 O O   . PHE   A 1 131 ? -18.934 -16.910 -19.962 1.00 10.55 ? 137 PHE   B O   1 
ATOM   1140 C CB  . PHE   A 1 131 ? -16.946 -15.218 -18.447 1.00 11.43 ? 137 PHE   B CB  1 
ATOM   1141 C CG  . PHE   A 1 131 ? -15.692 -15.977 -18.807 1.00 12.78 ? 137 PHE   B CG  1 
ATOM   1142 C CD1 . PHE   A 1 131 ? -14.678 -15.351 -19.482 1.00 14.26 ? 137 PHE   B CD1 1 
ATOM   1143 C CD2 . PHE   A 1 131 ? -15.535 -17.312 -18.475 1.00 13.87 ? 137 PHE   B CD2 1 
ATOM   1144 C CE1 . PHE   A 1 131 ? -13.517 -16.046 -19.811 1.00 15.98 ? 137 PHE   B CE1 1 
ATOM   1145 C CE2 . PHE   A 1 131 ? -14.382 -18.019 -18.817 1.00 15.66 ? 137 PHE   B CE2 1 
ATOM   1146 C CZ  . PHE   A 1 131 ? -13.380 -17.369 -19.481 1.00 15.65 ? 137 PHE   B CZ  1 
ATOM   1147 N N   . VAL   A 1 132 ? -17.588 -16.187 -21.633 1.00 10.55 ? 138 VAL   B N   1 
ATOM   1148 C CA  . VAL   A 1 132 ? -17.755 -17.372 -22.508 1.00 10.80 ? 138 VAL   B CA  1 
ATOM   1149 C C   . VAL   A 1 132 ? -16.369 -17.957 -22.773 1.00 10.26 ? 138 VAL   B C   1 
ATOM   1150 O O   . VAL   A 1 132 ? -15.476 -17.246 -23.244 1.00 11.76 ? 138 VAL   B O   1 
ATOM   1151 C CB  . VAL   A 1 132 ? -18.471 -17.025 -23.815 1.00 11.39 ? 138 VAL   B CB  1 
ATOM   1152 C CG1 . VAL   A 1 132 ? -18.596 -18.257 -24.695 1.00 12.80 ? 138 VAL   B CG1 1 
ATOM   1153 C CG2 . VAL   A 1 132 ? -19.838 -16.386 -23.555 1.00 12.54 ? 138 VAL   B CG2 1 
ATOM   1154 N N   . ASP   A 1 133 ? -16.237 -19.241 -22.487 1.00 10.55 ? 139 ASP   B N   1 
ATOM   1155 C CA  . ASP   A 1 133 ? -15.040 -20.022 -22.912 1.00 11.78 ? 139 ASP   B CA  1 
ATOM   1156 C C   . ASP   A 1 133 ? -15.536 -21.040 -23.932 1.00 10.14 ? 139 ASP   B C   1 
ATOM   1157 O O   . ASP   A 1 133 ? -16.161 -22.042 -23.572 1.00 11.09 ? 139 ASP   B O   1 
ATOM   1158 C CB  . ASP   A 1 133 ? -14.319 -20.656 -21.746 1.00 12.56 ? 139 ASP   B CB  1 
ATOM   1159 C CG  . ASP   A 1 133 ? -13.044 -21.434 -22.103 1.00 14.53 ? 139 ASP   B CG  1 
ATOM   1160 O OD1 . ASP   A 1 133 ? -12.911 -21.862 -23.275 1.00 14.82 ? 139 ASP   B OD1 1 
ATOM   1161 O OD2 . ASP   A 1 133 ? -12.220 -21.546 -21.162 1.00 18.45 ? 139 ASP   B OD2 1 
ATOM   1162 N N   . TYR   A 1 134 ? -15.320 -20.734 -25.211 1.00 11.06 ? 140 TYR   B N   1 
ATOM   1163 C CA  . TYR   A 1 134 ? -15.896 -21.560 -26.294 1.00 11.97 ? 140 TYR   B CA  1 
ATOM   1164 C C   . TYR   A 1 134 ? -15.388 -23.008 -26.227 1.00 12.41 ? 140 TYR   B C   1 
ATOM   1165 O O   . TYR   A 1 134 ? -16.132 -23.946 -26.175 1.00 13.47 ? 140 TYR   B O   1 
ATOM   1166 C CB  . TYR   A 1 134 ? -15.646 -20.959 -27.686 1.00 11.46 ? 140 TYR   B CB  1 
ATOM   1167 C CG  . TYR   A 1 134 ? -16.564 -21.565 -28.730 1.00 11.94 ? 140 TYR   B CG  1 
ATOM   1168 C CD1 . TYR   A 1 134 ? -16.370 -22.848 -29.221 1.00 12.43 ? 140 TYR   B CD1 1 
ATOM   1169 C CD2 . TYR   A 1 134 ? -17.712 -20.894 -29.151 1.00 12.00 ? 140 TYR   B CD2 1 
ATOM   1170 C CE1 . TYR   A 1 134 ? -17.256 -23.435 -30.100 1.00 11.50 ? 140 TYR   B CE1 1 
ATOM   1171 C CE2 . TYR   A 1 134 ? -18.613 -21.466 -30.030 1.00 11.72 ? 140 TYR   B CE2 1 
ATOM   1172 C CZ  . TYR   A 1 134 ? -18.416 -22.752 -30.508 1.00 11.04 ? 140 TYR   B CZ  1 
ATOM   1173 O OH  . TYR   A 1 134 ? -19.303 -23.341 -31.347 1.00 11.67 ? 140 TYR   B OH  1 
ATOM   1174 N N   . GLU   A 1 135 ? -14.085 -23.143 -26.114 1.00 14.03 ? 141 GLU   B N   1 
ATOM   1175 C CA  . GLU   A 1 135 ? -13.455 -24.487 -26.166 1.00 15.13 ? 141 GLU   B CA  1 
ATOM   1176 C C   . GLU   A 1 135 ? -13.873 -25.290 -24.950 1.00 14.48 ? 141 GLU   B C   1 
ATOM   1177 O O   . GLU   A 1 135 ? -14.217 -26.482 -25.115 1.00 16.96 ? 141 GLU   B O   1 
ATOM   1178 C CB  . GLU   A 1 135 ? -11.947 -24.403 -26.304 1.00 17.12 ? 141 GLU   B CB  1 
ATOM   1179 C CG  . GLU   A 1 135 ? -11.554 -24.214 -27.789 1.00 21.46 ? 141 GLU   B CG  1 
ATOM   1180 C CD  . GLU   A 1 135 ? -11.859 -22.860 -28.337 1.00 23.98 ? 141 GLU   B CD  1 
ATOM   1181 O OE1 . GLU   A 1 135 ? -12.008 -22.742 -29.515 1.00 22.56 ? 141 GLU   B OE1 1 
ATOM   1182 O OE2 . GLU   A 1 135 ? -11.896 -21.881 -27.535 1.00 26.31 ? 141 GLU   B OE2 1 
ATOM   1183 N N   . ALA   A 1 136 ? -13.920 -24.705 -23.756 1.00 13.25 ? 142 ALA   B N   1 
ATOM   1184 C CA  . ALA   A 1 136 ? -14.301 -25.397 -22.528 1.00 13.91 ? 142 ALA   B CA  1 
ATOM   1185 C C   . ALA   A 1 136 ? -15.805 -25.713 -22.488 1.00 14.23 ? 142 ALA   B C   1 
ATOM   1186 O O   . ALA   A 1 136 ? -16.219 -26.567 -21.681 1.00 16.00 ? 142 ALA   B O   1 
ATOM   1187 C CB  . ALA   A 1 136 ? -13.884 -24.605 -21.310 1.00 15.66 ? 142 ALA   B CB  1 
ATOM   1188 N N   . GLY   A 1 137 ? -16.655 -25.042 -23.260 1.00 12.25 ? 143 GLY   B N   1 
ATOM   1189 C CA  . GLY   A 1 137 ? -18.105 -25.184 -23.170 1.00 11.52 ? 143 GLY   B CA  1 
ATOM   1190 C C   . GLY   A 1 137 ? -18.654 -24.567 -21.867 1.00 10.44 ? 143 GLY   B C   1 
ATOM   1191 O O   . GLY   A 1 137 ? -19.423 -25.235 -21.186 1.00 11.80 ? 143 GLY   B O   1 
ATOM   1192 N N   . VAL   A 1 138 ? -18.232 -23.342 -21.565 1.00 10.88 ? 144 VAL   B N   1 
ATOM   1193 C CA  . VAL   A 1 138 ? -18.640 -22.647 -20.304 1.00 11.04 ? 144 VAL   B CA  1 
ATOM   1194 C C   . VAL   A 1 138 ? -19.226 -21.285 -20.635 1.00 10.64 ? 144 VAL   B C   1 
ATOM   1195 O O   . VAL   A 1 138 ? -18.620 -20.517 -21.399 1.00 10.95 ? 144 VAL   B O   1 
ATOM   1196 C CB  . VAL   A 1 138 ? -17.407 -22.496 -19.393 1.00 11.83 ? 144 VAL   B CB  1 
ATOM   1197 C CG1 . VAL   A 1 138 ? -17.673 -21.520 -18.224 1.00 12.76 ? 144 VAL   B CG1 1 
ATOM   1198 C CG2 . VAL   A 1 138 ? -16.980 -23.880 -18.915 1.00 13.19 ? 144 VAL   B CG2 1 
ATOM   1199 N N   . VAL   A 1 139 ? -20.323 -20.973 -19.937 1.00 10.23 ? 145 VAL   B N   1 
ATOM   1200 C CA  . VAL   A 1 139 ? -20.876 -19.587 -19.884 1.00 9.95  ? 145 VAL   B CA  1 
ATOM   1201 C C   . VAL   A 1 139 ? -21.073 -19.243 -18.396 1.00 8.99  ? 145 VAL   B C   1 
ATOM   1202 O O   . VAL   A 1 139 ? -21.855 -19.946 -17.721 1.00 9.64  ? 145 VAL   B O   1 
ATOM   1203 C CB  . VAL   A 1 139 ? -22.207 -19.474 -20.646 1.00 9.44  ? 145 VAL   B CB  1 
ATOM   1204 C CG1 . VAL   A 1 139 ? -22.706 -18.022 -20.629 1.00 9.54  ? 145 VAL   B CG1 1 
ATOM   1205 C CG2 . VAL   A 1 139 ? -22.080 -19.978 -22.075 1.00 10.11 ? 145 VAL   B CG2 1 
ATOM   1206 N N   . SER   A 1 140 ? -20.432 -18.189 -17.927 1.00 8.65  ? 146 SER   B N   1 
ATOM   1207 C CA  . SER   A 1 140 ? -20.537 -17.783 -16.512 1.00 9.95  ? 146 SER   B CA  1 
ATOM   1208 C C   . SER   A 1 140 ? -20.999 -16.327 -16.420 1.00 9.58  ? 146 SER   B C   1 
ATOM   1209 O O   . SER   A 1 140 ? -20.691 -15.512 -17.241 1.00 10.40 ? 146 SER   B O   1 
ATOM   1210 C CB  . SER   A 1 140 ? -19.220 -17.975 -15.764 1.00 9.37  ? 146 SER   B CB  1 
ATOM   1211 O OG  . SER   A 1 140 ? -18.865 -19.357 -15.680 1.00 11.23 ? 146 SER   B OG  1 
ATOM   1212 N N   . PHE   A 1 141 ? -21.680 -16.064 -15.308 1.00 8.82  ? 147 PHE   B N   1 
ATOM   1213 C CA  . PHE   A 1 141 ? -22.307 -14.771 -14.997 1.00 9.18  ? 147 PHE   B CA  1 
ATOM   1214 C C   . PHE   A 1 141 ? -21.767 -14.319 -13.649 1.00 9.12  ? 147 PHE   B C   1 
ATOM   1215 O O   . PHE   A 1 141 ? -21.802 -15.091 -12.668 1.00 9.66  ? 147 PHE   B O   1 
ATOM   1216 C CB  . PHE   A 1 141 ? -23.850 -14.880 -14.973 1.00 9.63  ? 147 PHE   B CB  1 
ATOM   1217 C CG  . PHE   A 1 141 ? -24.436 -15.271 -16.306 1.00 9.00  ? 147 PHE   B CG  1 
ATOM   1218 C CD1 . PHE   A 1 141 ? -24.504 -16.608 -16.705 1.00 9.38  ? 147 PHE   B CD1 1 
ATOM   1219 C CD2 . PHE   A 1 141 ? -24.954 -14.298 -17.158 1.00 9.35  ? 147 PHE   B CD2 1 
ATOM   1220 C CE1 . PHE   A 1 141 ? -24.988 -16.942 -17.964 1.00 9.43  ? 147 PHE   B CE1 1 
ATOM   1221 C CE2 . PHE   A 1 141 ? -25.448 -14.665 -18.413 1.00 9.31  ? 147 PHE   B CE2 1 
ATOM   1222 C CZ  . PHE   A 1 141 ? -25.504 -15.985 -18.797 1.00 9.06  ? 147 PHE   B CZ  1 
ATOM   1223 N N   . TYR   A 1 142 ? -21.454 -13.029 -13.558 1.00 9.16  ? 148 TYR   B N   1 
ATOM   1224 C CA  . TYR   A 1 142 ? -20.799 -12.416 -12.374 1.00 10.75 ? 148 TYR   B CA  1 
ATOM   1225 C C   . TYR   A 1 142 ? -21.587 -11.170 -11.971 1.00 11.00 ? 148 TYR   B C   1 
ATOM   1226 O O   . TYR   A 1 142 ? -22.034 -10.343 -12.795 1.00 11.29 ? 148 TYR   B O   1 
ATOM   1227 C CB  . TYR   A 1 142 ? -19.331 -12.112 -12.662 1.00 11.20 ? 148 TYR   B CB  1 
ATOM   1228 C CG  . TYR   A 1 142 ? -18.518 -13.351 -12.936 1.00 11.70 ? 148 TYR   B CG  1 
ATOM   1229 C CD1 . TYR   A 1 142 ? -18.023 -14.149 -11.915 1.00 13.05 ? 148 TYR   B CD1 1 
ATOM   1230 C CD2 . TYR   A 1 142 ? -18.340 -13.790 -14.236 1.00 12.27 ? 148 TYR   B CD2 1 
ATOM   1231 C CE1 . TYR   A 1 142 ? -17.360 -15.342 -12.179 1.00 12.92 ? 148 TYR   B CE1 1 
ATOM   1232 C CE2 . TYR   A 1 142 ? -17.664 -14.963 -14.516 1.00 12.59 ? 148 TYR   B CE2 1 
ATOM   1233 C CZ  . TYR   A 1 142 ? -17.150 -15.733 -13.486 1.00 12.38 ? 148 TYR   B CZ  1 
ATOM   1234 O OH  . TYR   A 1 142 ? -16.502 -16.924 -13.737 1.00 14.91 ? 148 TYR   B OH  1 
ATOM   1235 N N   . ASN   A 1 143 ? -21.615 -10.940 -10.662 1.00 12.22 ? 149 ASN   B N   1 
ATOM   1236 C CA  . ASN   A 1 143 ? -22.311 -9.777  -10.040 1.00 12.07 ? 149 ASN   B CA  1 
ATOM   1237 C C   . ASN   A 1 143 ? -21.277 -8.665  -9.861  1.00 11.80 ? 149 ASN   B C   1 
ATOM   1238 O O   . ASN   A 1 143 ? -20.510 -8.694  -8.825  1.00 14.19 ? 149 ASN   B O   1 
ATOM   1239 C CB  . ASN   A 1 143 ? -22.932 -10.217 -8.718  1.00 11.88 ? 149 ASN   B CB  1 
ATOM   1240 C CG  . ASN   A 1 143 ? -23.767 -9.134  -8.061  1.00 12.03 ? 149 ASN   B CG  1 
ATOM   1241 O OD1 . ASN   A 1 143 ? -23.594 -7.950  -8.400  1.00 13.87 ? 149 ASN   B OD1 1 
ATOM   1242 N ND2 . ASN   A 1 143 ? -24.651 -9.541  -7.204  1.00 13.53 ? 149 ASN   B ND2 1 
ATOM   1243 N N   . ILE   A 1 144 ? -21.194 -7.675  -10.740 1.00 13.11 ? 150 ILE   B N   1 
ATOM   1244 C CA  . ILE   A 1 144 ? -20.126 -6.652  -10.677 1.00 13.99 ? 150 ILE   B CA  1 
ATOM   1245 C C   . ILE   A 1 144 ? -20.384 -5.770  -9.443  1.00 15.71 ? 150 ILE   B C   1 
ATOM   1246 O O   . ILE   A 1 144 ? -19.399 -5.293  -8.860  1.00 17.66 ? 150 ILE   B O   1 
ATOM   1247 C CB  . ILE   A 1 144 ? -20.099 -5.863  -11.994 1.00 14.68 ? 150 ILE   B CB  1 
ATOM   1248 C CG1 . ILE   A 1 144 ? -19.914 -6.780  -13.219 1.00 15.92 ? 150 ILE   B CG1 1 
ATOM   1249 C CG2 . ILE   A 1 144 ? -19.061 -4.750  -11.977 1.00 17.30 ? 150 ILE   B CG2 1 
ATOM   1250 C CD1 . ILE   A 1 144 ? -18.843 -7.815  -13.047 1.00 18.94 ? 150 ILE   B CD1 1 
ATOM   1251 N N   . THR   A 1 145 ? -21.628 -5.550  -9.065  1.00 15.09 ? 151 THR   B N   1 
ATOM   1252 C CA  . THR   A 1 145 ? -22.021 -4.709  -7.892  1.00 15.54 ? 151 THR   B CA  1 
ATOM   1253 C C   . THR   A 1 145 ? -21.458 -5.357  -6.630  1.00 18.61 ? 151 THR   B C   1 
ATOM   1254 O O   . THR   A 1 145 ? -21.034 -4.604  -5.719  1.00 21.92 ? 151 THR   B O   1 
ATOM   1255 C CB  . THR   A 1 145 ? -23.546 -4.575  -7.857  1.00 15.47 ? 151 THR   B CB  1 
ATOM   1256 O OG1 . THR   A 1 145 ? -23.999 -4.116  -9.127  1.00 15.15 ? 151 THR   B OG1 1 
ATOM   1257 C CG2 . THR   A 1 145 ? -24.009 -3.605  -6.792  1.00 17.04 ? 151 THR   B CG2 1 
ATOM   1258 N N   . ASP   A 1 146 ? -21.416 -6.682  -6.546  1.00 17.35 ? 152 ASP   B N   1 
ATOM   1259 C CA  . ASP   A 1 146 ? -20.900 -7.429  -5.367  1.00 18.29 ? 152 ASP   B CA  1 
ATOM   1260 C C   . ASP   A 1 146 ? -19.482 -7.968  -5.615  1.00 17.91 ? 152 ASP   B C   1 
ATOM   1261 O O   . ASP   A 1 146 ? -19.278 -9.177  -5.460  1.00 18.41 ? 152 ASP   B O   1 
ATOM   1262 C CB  . ASP   A 1 146 ? -21.913 -8.476  -4.995  1.00 18.48 ? 152 ASP   B CB  1 
ATOM   1263 C CG  . ASP   A 1 146 ? -21.543 -9.262  -3.766  1.00 21.23 ? 152 ASP   B CG  1 
ATOM   1264 O OD1 . ASP   A 1 146 ? -21.068 -8.624  -2.783  1.00 22.66 ? 152 ASP   B OD1 1 
ATOM   1265 O OD2 . ASP   A 1 146 ? -21.720 -10.480 -3.816  1.00 22.06 ? 152 ASP   B OD2 1 
ATOM   1266 N N   . HIS   A 1 147 ? -18.554 -7.124  -6.028  1.00 20.35 ? 153 HIS   B N   1 
ATOM   1267 C CA  . HIS   A 1 147 ? -17.109 -7.472  -6.117  1.00 23.76 ? 153 HIS   B CA  1 
ATOM   1268 C C   . HIS   A 1 147 ? -16.929 -8.664  -7.067  1.00 21.24 ? 153 HIS   B C   1 
ATOM   1269 O O   . HIS   A 1 147 ? -15.986 -9.432  -6.884  1.00 24.13 ? 153 HIS   B O   1 
ATOM   1270 C CB  . HIS   A 1 147 ? -16.499 -7.866  -4.755  1.00 28.98 ? 153 HIS   B CB  1 
ATOM   1271 C CG  . HIS   A 1 147 ? -16.746 -6.947  -3.601  1.00 35.94 ? 153 HIS   B CG  1 
ATOM   1272 N ND1 . HIS   A 1 147 ? -16.009 -5.796  -3.402  1.00 40.91 ? 153 HIS   B ND1 1 
ATOM   1273 C CD2 . HIS   A 1 147 ? -17.583 -7.055  -2.545  1.00 40.16 ? 153 HIS   B CD2 1 
ATOM   1274 C CE1 . HIS   A 1 147 ? -16.412 -5.201  -2.295  1.00 44.15 ? 153 HIS   B CE1 1 
ATOM   1275 N NE2 . HIS   A 1 147 ? -17.380 -5.957  -1.745  1.00 43.37 ? 153 HIS   B NE2 1 
ATOM   1276 N N   . GLY   A 1 148 ? -17.758 -8.793  -8.101  1.00 18.29 ? 154 GLY   B N   1 
ATOM   1277 C CA  . GLY   A 1 148 ? -17.550 -9.842  -9.118  1.00 15.95 ? 154 GLY   B CA  1 
ATOM   1278 C C   . GLY   A 1 148 ? -17.966 -11.218 -8.666  1.00 15.45 ? 154 GLY   B C   1 
ATOM   1279 O O   . GLY   A 1 148 ? -17.467 -12.163 -9.260  1.00 15.59 ? 154 GLY   B O   1 
ATOM   1280 N N   . SER   A 1 149 ? -18.787 -11.374 -7.657  1.00 13.83 ? 155 SER   B N   1 
ATOM   1281 C CA  . SER   A 1 149 ? -19.156 -12.709 -7.145  1.00 12.77 ? 155 SER   B CA  1 
ATOM   1282 C C   . SER   A 1 149 ? -19.856 -13.533 -8.236  1.00 12.65 ? 155 SER   B C   1 
ATOM   1283 O O   . SER   A 1 149 ? -20.666 -12.995 -9.053  1.00 12.52 ? 155 SER   B O   1 
ATOM   1284 C CB  . SER   A 1 149 ? -20.020 -12.592 -5.900  1.00 13.50 ? 155 SER   B CB  1 
ATOM   1285 O OG  . SER   A 1 149 ? -21.202 -11.829 -6.099  1.00 14.71 ? 155 SER   B OG  1 
ATOM   1286 N N   . LEU   A 1 150 ? -19.665 -14.833 -8.230  1.00 11.45 ? 156 LEU   B N   1 
ATOM   1287 C CA  . LEU   A 1 150 ? -20.321 -15.746 -9.200  1.00 10.99 ? 156 LEU   B CA  1 
ATOM   1288 C C   . LEU   A 1 150 ? -21.823 -15.781 -8.976  1.00 10.52 ? 156 LEU   B C   1 
ATOM   1289 O O   . LEU   A 1 150 ? -22.324 -15.987 -7.830  1.00 11.23 ? 156 LEU   B O   1 
ATOM   1290 C CB  . LEU   A 1 150 ? -19.732 -17.151 -9.056  1.00 11.25 ? 156 LEU   B CB  1 
ATOM   1291 C CG  . LEU   A 1 150 ? -20.292 -18.196 -10.038 1.00 11.10 ? 156 LEU   B CG  1 
ATOM   1292 C CD1 . LEU   A 1 150 ? -19.903 -17.913 -11.475 1.00 11.00 ? 156 LEU   B CD1 1 
ATOM   1293 C CD2 . LEU   A 1 150 ? -19.759 -19.594 -9.651  1.00 12.56 ? 156 LEU   B CD2 1 
ATOM   1294 N N   . ILE   A 1 151 ? -22.577 -15.662 -10.075 1.00 10.23 ? 157 ILE   B N   1 
ATOM   1295 C CA  . ILE   A 1 151 ? -24.024 -15.865 -10.091 1.00 10.08 ? 157 ILE   B CA  1 
ATOM   1296 C C   . ILE   A 1 151 ? -24.375 -17.274 -10.552 1.00 9.65  ? 157 ILE   B C   1 
ATOM   1297 O O   . ILE   A 1 151 ? -25.178 -17.957 -9.980  1.00 10.04 ? 157 ILE   B O   1 
ATOM   1298 C CB  . ILE   A 1 151 ? -24.704 -14.780 -10.971 1.00 10.52 ? 157 ILE   B CB  1 
ATOM   1299 C CG1 . ILE   A 1 151 ? -24.535 -13.383 -10.380 1.00 11.66 ? 157 ILE   B CG1 1 
ATOM   1300 C CG2 . ILE   A 1 151 ? -26.172 -15.100 -11.177 1.00 10.37 ? 157 ILE   B CG2 1 
ATOM   1301 C CD1 . ILE   A 1 151 ? -24.975 -12.271 -11.322 1.00 11.35 ? 157 ILE   B CD1 1 
ATOM   1302 N N   . TYR   A 1 152 ? -23.821 -17.690 -11.705 1.00 9.73  ? 158 TYR   B N   1 
ATOM   1303 C CA  . TYR   A 1 152 ? -24.205 -18.980 -12.308 1.00 9.32  ? 158 TYR   B CA  1 
ATOM   1304 C C   . TYR   A 1 152 ? -23.159 -19.385 -13.345 1.00 9.12  ? 158 TYR   B C   1 
ATOM   1305 O O   . TYR   A 1 152 ? -22.654 -18.519 -14.080 1.00 9.99  ? 158 TYR   B O   1 
ATOM   1306 C CB  . TYR   A 1 152 ? -25.588 -18.904 -13.020 1.00 8.95  ? 158 TYR   B CB  1 
ATOM   1307 C CG  . TYR   A 1 152 ? -26.128 -20.254 -13.366 1.00 9.10  ? 158 TYR   B CG  1 
ATOM   1308 C CD1 . TYR   A 1 152 ? -26.781 -21.038 -12.425 1.00 10.02 ? 158 TYR   B CD1 1 
ATOM   1309 C CD2 . TYR   A 1 152 ? -25.997 -20.761 -14.657 1.00 9.36  ? 158 TYR   B CD2 1 
ATOM   1310 C CE1 . TYR   A 1 152 ? -27.252 -22.302 -12.740 1.00 10.63 ? 158 TYR   B CE1 1 
ATOM   1311 C CE2 . TYR   A 1 152 ? -26.452 -22.017 -14.976 1.00 10.31 ? 158 TYR   B CE2 1 
ATOM   1312 C CZ  . TYR   A 1 152 ? -27.072 -22.783 -14.020 1.00 10.45 ? 158 TYR   B CZ  1 
ATOM   1313 O OH  . TYR   A 1 152 ? -27.465 -24.068 -14.316 1.00 12.99 ? 158 TYR   B OH  1 
ATOM   1314 N N   . THR   A 1 153 ? -22.894 -20.690 -13.435 1.00 9.27  ? 159 THR   B N   1 
ATOM   1315 C CA  . THR   A 1 153 ? -22.067 -21.292 -14.510 1.00 9.80  ? 159 THR   B CA  1 
ATOM   1316 C C   . THR   A 1 153 ? -22.845 -22.393 -15.194 1.00 9.09  ? 159 THR   B C   1 
ATOM   1317 O O   . THR   A 1 153 ? -23.209 -23.387 -14.576 1.00 10.07 ? 159 THR   B O   1 
ATOM   1318 C CB  . THR   A 1 153 ? -20.732 -21.832 -13.948 1.00 10.38 ? 159 THR   B CB  1 
ATOM   1319 O OG1 . THR   A 1 153 ? -19.962 -20.712 -13.532 1.00 10.49 ? 159 THR   B OG1 1 
ATOM   1320 C CG2 . THR   A 1 153 ? -19.992 -22.657 -14.996 1.00 11.71 ? 159 THR   B CG2 1 
ATOM   1321 N N   . PHE   A 1 154 ? -23.048 -22.222 -16.515 1.00 9.22  ? 160 PHE   B N   1 
ATOM   1322 C CA  . PHE   A 1 154 ? -23.420 -23.328 -17.420 1.00 9.66  ? 160 PHE   B CA  1 
ATOM   1323 C C   . PHE   A 1 154 ? -22.112 -24.009 -17.844 1.00 10.01 ? 160 PHE   B C   1 
ATOM   1324 O O   . PHE   A 1 154 ? -21.235 -23.380 -18.408 1.00 10.71 ? 160 PHE   B O   1 
ATOM   1325 C CB  . PHE   A 1 154 ? -24.103 -22.845 -18.696 1.00 9.91  ? 160 PHE   B CB  1 
ATOM   1326 C CG  . PHE   A 1 154 ? -25.464 -22.205 -18.537 1.00 8.83  ? 160 PHE   B CG  1 
ATOM   1327 C CD1 . PHE   A 1 154 ? -25.636 -20.845 -18.278 1.00 8.44  ? 160 PHE   B CD1 1 
ATOM   1328 C CD2 . PHE   A 1 154 ? -26.592 -22.969 -18.721 1.00 9.26  ? 160 PHE   B CD2 1 
ATOM   1329 C CE1 . PHE   A 1 154 ? -26.918 -20.307 -18.194 1.00 9.14  ? 160 PHE   B CE1 1 
ATOM   1330 C CE2 . PHE   A 1 154 ? -27.873 -22.416 -18.642 1.00 9.46  ? 160 PHE   B CE2 1 
ATOM   1331 C CZ  . PHE   A 1 154 ? -28.013 -21.072 -18.380 1.00 8.60  ? 160 PHE   B CZ  1 
ATOM   1332 N N   . SER   A 1 155 ? -22.019 -25.311 -17.574 1.00 11.65 ? 161 SER   B N   1 
ATOM   1333 C CA  . SER   A 1 155 ? -20.873 -26.098 -18.053 1.00 12.69 ? 161 SER   B CA  1 
ATOM   1334 C C   . SER   A 1 155 ? -21.393 -27.243 -18.897 1.00 12.75 ? 161 SER   B C   1 
ATOM   1335 O O   . SER   A 1 155 ? -22.597 -27.484 -18.997 1.00 14.63 ? 161 SER   B O   1 
ATOM   1336 C CB  . SER   A 1 155 ? -20.037 -26.534 -16.872 1.00 13.82 ? 161 SER   B CB  1 
ATOM   1337 O OG  . SER   A 1 155 ? -20.691 -27.491 -16.085 1.00 18.40 ? 161 SER   B OG  1 
ATOM   1338 N N   . GLU   A 1 156 ? -20.453 -27.912 -19.591 1.00 15.33 ? 162 GLU   B N   1 
ATOM   1339 C CA  . GLU   A 1 156 ? -20.824 -28.985 -20.561 1.00 16.31 ? 162 GLU   B CA  1 
ATOM   1340 C C   . GLU   A 1 156 ? -21.758 -28.409 -21.627 1.00 14.41 ? 162 GLU   B C   1 
ATOM   1341 O O   . GLU   A 1 156 ? -22.680 -29.130 -22.094 1.00 16.80 ? 162 GLU   B O   1 
ATOM   1342 C CB  . GLU   A 1 156 ? -21.488 -30.182 -19.875 1.00 19.41 ? 162 GLU   B CB  1 
ATOM   1343 C CG  . GLU   A 1 156 ? -20.804 -30.666 -18.609 1.00 23.91 ? 162 GLU   B CG  1 
ATOM   1344 C CD  . GLU   A 1 156 ? -21.406 -31.993 -18.215 1.00 35.25 ? 162 GLU   B CD  1 
ATOM   1345 O OE1 . GLU   A 1 156 ? -22.422 -31.986 -17.492 1.00 40.24 ? 162 GLU   B OE1 1 
ATOM   1346 O OE2 . GLU   A 1 156 ? -20.941 -33.019 -18.740 1.00 40.72 ? 162 GLU   B OE2 1 
ATOM   1347 N N   . CYS   A 1 157 ? -21.543 -27.151 -22.010 1.00 13.35 ? 163 CYS   B N   1 
ATOM   1348 C CA  . CYS   A 1 157 ? -22.397 -26.514 -23.035 1.00 12.43 ? 163 CYS   B CA  1 
ATOM   1349 C C   . CYS   A 1 157 ? -22.165 -27.172 -24.398 1.00 13.48 ? 163 CYS   B C   1 
ATOM   1350 O O   . CYS   A 1 157 ? -20.954 -27.412 -24.717 1.00 15.32 ? 163 CYS   B O   1 
ATOM   1351 C CB  . CYS   A 1 157 ? -22.185 -25.004 -23.165 1.00 11.75 ? 163 CYS   B CB  1 
ATOM   1352 S SG  . CYS   A 1 157 ? -22.582 -24.079 -21.657 1.00 11.85 ? 163 CYS   B SG  1 
ATOM   1353 N N   . VAL   A 1 158 ? -23.217 -27.367 -25.150 1.00 13.40 ? 164 VAL   B N   1 
ATOM   1354 C CA  . VAL   A 1 158 ? -23.082 -27.867 -26.541 1.00 14.39 ? 164 VAL   B CA  1 
ATOM   1355 C C   . VAL   A 1 158 ? -23.511 -26.710 -27.446 1.00 13.45 ? 164 VAL   B C   1 
ATOM   1356 O O   . VAL   A 1 158 ? -24.680 -26.577 -27.818 1.00 16.12 ? 164 VAL   B O   1 
ATOM   1357 C CB  . VAL   A 1 158 ? -23.827 -29.227 -26.686 1.00 17.80 ? 164 VAL   B CB  1 
ATOM   1358 C CG1 . VAL   A 1 158 ? -23.724 -29.691 -28.143 1.00 18.34 ? 164 VAL   B CG1 1 
ATOM   1359 C CG2 . VAL   A 1 158 ? -23.306 -30.303 -25.723 1.00 20.22 ? 164 VAL   B CG2 1 
ATOM   1360 N N   . PHE   A 1 159 ? -22.603 -25.797 -27.760 1.00 12.21 ? 165 PHE   B N   1 
ATOM   1361 C CA  . PHE   A 1 159 ? -22.893 -24.551 -28.490 1.00 12.43 ? 165 PHE   B CA  1 
ATOM   1362 C C   . PHE   A 1 159 ? -23.431 -24.912 -29.867 1.00 13.84 ? 165 PHE   B C   1 
ATOM   1363 O O   . PHE   A 1 159 ? -24.429 -24.315 -30.308 1.00 15.79 ? 165 PHE   B O   1 
ATOM   1364 C CB  . PHE   A 1 159 ? -21.685 -23.637 -28.497 1.00 11.52 ? 165 PHE   B CB  1 
ATOM   1365 C CG  . PHE   A 1 159 ? -21.265 -23.142 -27.127 1.00 10.93 ? 165 PHE   B CG  1 
ATOM   1366 C CD1 . PHE   A 1 159 ? -22.220 -22.619 -26.236 1.00 11.42 ? 165 PHE   B CD1 1 
ATOM   1367 C CD2 . PHE   A 1 159 ? -19.926 -23.134 -26.737 1.00 12.08 ? 165 PHE   B CD2 1 
ATOM   1368 C CE1 . PHE   A 1 159 ? -21.835 -22.154 -24.978 1.00 11.19 ? 165 PHE   B CE1 1 
ATOM   1369 C CE2 . PHE   A 1 159 ? -19.547 -22.691 -25.475 1.00 11.89 ? 165 PHE   B CE2 1 
ATOM   1370 C CZ  . PHE   A 1 159 ? -20.497 -22.143 -24.626 1.00 11.51 ? 165 PHE   B CZ  1 
ATOM   1371 N N   . ALA   A 1 160 ? -22.761 -25.826 -30.591 1.00 12.96 ? 166 ALA   B N   1 
ATOM   1372 C CA  . ALA   A 1 160 ? -23.222 -26.389 -31.880 1.00 13.31 ? 166 ALA   B CA  1 
ATOM   1373 C C   . ALA   A 1 160 ? -23.325 -25.316 -32.946 1.00 13.11 ? 166 ALA   B C   1 
ATOM   1374 O O   . ALA   A 1 160 ? -24.143 -25.517 -33.926 1.00 14.59 ? 166 ALA   B O   1 
ATOM   1375 C CB  . ALA   A 1 160 ? -24.500 -27.132 -31.710 1.00 14.05 ? 166 ALA   B CB  1 
ATOM   1376 N N   . GLY   A 1 161 ? -22.505 -24.298 -32.896 1.00 13.60 ? 167 GLY   B N   1 
ATOM   1377 C CA  . GLY   A 1 161 ? -22.555 -23.216 -33.881 1.00 15.30 ? 167 GLY   B CA  1 
ATOM   1378 C C   . GLY   A 1 161 ? -21.877 -21.967 -33.370 1.00 12.45 ? 167 GLY   B C   1 
ATOM   1379 O O   . GLY   A 1 161 ? -21.480 -21.921 -32.171 1.00 12.92 ? 167 GLY   B O   1 
ATOM   1380 N N   . PRO   A 1 162 ? -21.764 -20.937 -34.187 1.00 12.13 ? 168 PRO   B N   1 
ATOM   1381 C CA  . PRO   A 1 162 ? -21.316 -19.635 -33.738 1.00 11.73 ? 168 PRO   B CA  1 
ATOM   1382 C C   . PRO   A 1 162 ? -22.291 -19.097 -32.667 1.00 11.52 ? 168 PRO   B C   1 
ATOM   1383 O O   . PRO   A 1 162 ? -23.508 -19.349 -32.746 1.00 11.93 ? 168 PRO   B O   1 
ATOM   1384 C CB  . PRO   A 1 162 ? -21.327 -18.738 -34.976 1.00 12.45 ? 168 PRO   B CB  1 
ATOM   1385 C CG  . PRO   A 1 162 ? -21.442 -19.752 -36.148 1.00 13.41 ? 168 PRO   B CG  1 
ATOM   1386 C CD  . PRO   A 1 162 ? -22.176 -20.915 -35.604 1.00 12.76 ? 168 PRO   B CD  1 
ATOM   1387 N N   . LEU   A 1 163 ? -21.726 -18.326 -31.751 1.00 11.10 ? 169 LEU   B N   1 
ATOM   1388 C CA  . LEU   A 1 163 ? -22.492 -17.683 -30.631 1.00 10.63 ? 169 LEU   B CA  1 
ATOM   1389 C C   . LEU   A 1 163 ? -22.597 -16.193 -30.871 1.00 10.64 ? 169 LEU   B C   1 
ATOM   1390 O O   . LEU   A 1 163 ? -21.666 -15.558 -31.363 1.00 11.90 ? 169 LEU   B O   1 
ATOM   1391 C CB  . LEU   A 1 163 ? -21.805 -17.920 -29.283 1.00 11.31 ? 169 LEU   B CB  1 
ATOM   1392 C CG  . LEU   A 1 163 ? -21.809 -19.360 -28.782 1.00 12.73 ? 169 LEU   B CG  1 
ATOM   1393 C CD1 . LEU   A 1 163 ? -20.975 -19.436 -27.520 1.00 12.17 ? 169 LEU   B CD1 1 
ATOM   1394 C CD2 . LEU   A 1 163 ? -23.221 -19.863 -28.539 1.00 12.96 ? 169 LEU   B CD2 1 
ATOM   1395 N N   . ARG   A 1 164 ? -23.736 -15.627 -30.464 1.00 10.25 ? 170 ARG   B N   1 
ATOM   1396 C CA  . ARG   A 1 164 ? -23.982 -14.175 -30.452 1.00 10.57 ? 170 ARG   B CA  1 
ATOM   1397 C C   . ARG   A 1 164 ? -24.389 -13.700 -29.064 1.00 9.38  ? 170 ARG   B C   1 
ATOM   1398 O O   . ARG   A 1 164 ? -25.151 -14.380 -28.383 1.00 9.40  ? 170 ARG   B O   1 
ATOM   1399 C CB  . ARG   A 1 164 ? -25.057 -13.814 -31.480 1.00 12.16 ? 170 ARG   B CB  1 
ATOM   1400 C CG  . ARG   A 1 164 ? -24.561 -14.198 -32.883 1.00 14.88 ? 170 ARG   B CG  1 
ATOM   1401 C CD  . ARG   A 1 164 ? -25.449 -13.828 -34.025 1.00 16.05 ? 170 ARG   B CD  1 
ATOM   1402 N NE  . ARG   A 1 164 ? -25.436 -12.389 -34.126 1.00 15.52 ? 170 ARG   B NE  1 
ATOM   1403 C CZ  . ARG   A 1 164 ? -26.126 -11.770 -35.062 1.00 15.87 ? 170 ARG   B CZ  1 
ATOM   1404 N NH1 . ARG   A 1 164 ? -26.731 -12.482 -35.984 1.00 16.58 ? 170 ARG   B NH1 1 
ATOM   1405 N NH2 . ARG   A 1 164 ? -26.175 -10.464 -35.056 1.00 14.77 ? 170 ARG   B NH2 1 
ATOM   1406 N N   . PRO   A 1 165 ? -23.914 -12.519 -28.642 1.00 8.76  ? 171 PRO   B N   1 
ATOM   1407 C CA  . PRO   A 1 165 ? -24.454 -11.906 -27.415 1.00 8.88  ? 171 PRO   B CA  1 
ATOM   1408 C C   . PRO   A 1 165 ? -25.982 -11.737 -27.568 1.00 8.63  ? 171 PRO   B C   1 
ATOM   1409 O O   . PRO   A 1 165 ? -26.475 -11.408 -28.632 1.00 9.33  ? 171 PRO   B O   1 
ATOM   1410 C CB  . PRO   A 1 165 ? -23.760 -10.554 -27.300 1.00 9.73  ? 171 PRO   B CB  1 
ATOM   1411 C CG  . PRO   A 1 165 ? -22.466 -10.778 -28.120 1.00 10.99 ? 171 PRO   B CG  1 
ATOM   1412 C CD  . PRO   A 1 165 ? -22.912 -11.648 -29.272 1.00 10.92 ? 171 PRO   B CD  1 
ATOM   1413 N N   . PHE   A 1 166 ? -26.704 -12.042 -26.491 1.00 8.23  ? 172 PHE   B N   1 
ATOM   1414 C CA  . PHE   A 1 166 ? -28.173 -12.057 -26.459 1.00 8.58  ? 172 PHE   B CA  1 
ATOM   1415 C C   . PHE   A 1 166 ? -28.693 -11.114 -25.371 1.00 7.92  ? 172 PHE   B C   1 
ATOM   1416 O O   . PHE   A 1 166 ? -28.209 -11.115 -24.226 1.00 8.30  ? 172 PHE   B O   1 
ATOM   1417 C CB  . PHE   A 1 166 ? -28.665 -13.480 -26.210 1.00 8.72  ? 172 PHE   B CB  1 
ATOM   1418 C CG  . PHE   A 1 166 ? -30.162 -13.570 -26.030 1.00 8.88  ? 172 PHE   B CG  1 
ATOM   1419 C CD1 . PHE   A 1 166 ? -30.997 -13.573 -27.135 1.00 9.62  ? 172 PHE   B CD1 1 
ATOM   1420 C CD2 . PHE   A 1 166 ? -30.732 -13.622 -24.779 1.00 9.58  ? 172 PHE   B CD2 1 
ATOM   1421 C CE1 . PHE   A 1 166 ? -32.375 -13.628 -26.983 1.00 10.11 ? 172 PHE   B CE1 1 
ATOM   1422 C CE2 . PHE   A 1 166 ? -32.106 -13.634 -24.641 1.00 9.84  ? 172 PHE   B CE2 1 
ATOM   1423 C CZ  . PHE   A 1 166 ? -32.924 -13.667 -25.741 1.00 10.60 ? 172 PHE   B CZ  1 
ATOM   1424 N N   . PHE   A 1 167 ? -29.783 -10.388 -25.703 1.00 7.85  ? 173 PHE   B N   1 
ATOM   1425 C CA  . PHE   A 1 167 ? -30.395 -9.359  -24.824 1.00 8.13  ? 173 PHE   B CA  1 
ATOM   1426 C C   . PHE   A 1 167 ? -31.914 -9.420  -24.947 1.00 8.78  ? 173 PHE   B C   1 
ATOM   1427 O O   . PHE   A 1 167 ? -32.432 -9.458  -26.073 1.00 9.29  ? 173 PHE   B O   1 
ATOM   1428 C CB  . PHE   A 1 167 ? -29.937 -7.939  -25.197 1.00 8.50  ? 173 PHE   B CB  1 
ATOM   1429 C CG  . PHE   A 1 167 ? -28.426 -7.803  -25.305 1.00 8.53  ? 173 PHE   B CG  1 
ATOM   1430 C CD1 . PHE   A 1 167 ? -27.758 -8.093  -26.485 1.00 8.72  ? 173 PHE   B CD1 1 
ATOM   1431 C CD2 . PHE   A 1 167 ? -27.668 -7.332  -24.234 1.00 9.94  ? 173 PHE   B CD2 1 
ATOM   1432 C CE1 . PHE   A 1 167 ? -26.372 -8.023  -26.575 1.00 9.15  ? 173 PHE   B CE1 1 
ATOM   1433 C CE2 . PHE   A 1 167 ? -26.288 -7.219  -24.352 1.00 10.07 ? 173 PHE   B CE2 1 
ATOM   1434 C CZ  . PHE   A 1 167 ? -25.663 -7.545  -25.527 1.00 9.87  ? 173 PHE   B CZ  1 
ATOM   1435 N N   . ASN   A 1 168 ? -32.596 -9.252  -23.822 1.00 8.79  ? 174 ASN   B N   1 
ATOM   1436 C CA  . ASN   A 1 168 ? -34.045 -9.001  -23.775 1.00 8.43  ? 174 ASN   B CA  1 
ATOM   1437 C C   . ASN   A 1 168 ? -34.248 -7.863  -22.800 1.00 8.07  ? 174 ASN   B C   1 
ATOM   1438 O O   . ASN   A 1 168 ? -33.963 -8.028  -21.599 1.00 8.81  ? 174 ASN   B O   1 
ATOM   1439 C CB  . ASN   A 1 168 ? -34.832 -10.237 -23.360 1.00 8.93  ? 174 ASN   B CB  1 
ATOM   1440 C CG  . ASN   A 1 168 ? -36.327 -10.048 -23.462 1.00 9.83  ? 174 ASN   B CG  1 
ATOM   1441 O OD1 . ASN   A 1 168 ? -36.838 -8.972  -23.769 1.00 10.31 ? 174 ASN   B OD1 1 
ATOM   1442 N ND2 . ASN   A 1 168 ? -37.067 -11.111 -23.235 1.00 11.22 ? 174 ASN   B ND2 1 
ATOM   1443 N N   . VAL   A 1 169 ? -34.791 -6.714  -23.252 1.00 8.84  ? 175 VAL   B N   1 
ATOM   1444 C CA  . VAL   A 1 169 ? -35.055 -5.559  -22.353 1.00 9.07  ? 175 VAL   B CA  1 
ATOM   1445 C C   . VAL   A 1 169 ? -36.317 -5.781  -21.533 1.00 8.90  ? 175 VAL   B C   1 
ATOM   1446 O O   . VAL   A 1 169 ? -36.541 -4.982  -20.606 1.00 10.05 ? 175 VAL   B O   1 
ATOM   1447 C CB  . VAL   A 1 169 ? -35.128 -4.219  -23.107 1.00 9.45  ? 175 VAL   B CB  1 
ATOM   1448 C CG1 . VAL   A 1 169 ? -33.842 -3.877  -23.839 1.00 10.61 ? 175 VAL   B CG1 1 
ATOM   1449 C CG2 . VAL   A 1 169 ? -36.297 -4.178  -24.076 1.00 9.21  ? 175 VAL   B CG2 1 
ATOM   1450 N N   . GLY   A 1 170 ? -37.111 -6.799  -21.869 1.00 9.48  ? 176 GLY   B N   1 
ATOM   1451 C CA  . GLY   A 1 170 ? -38.394 -7.064  -21.179 1.00 10.08 ? 176 GLY   B CA  1 
ATOM   1452 C C   . GLY   A 1 170 ? -39.489 -6.119  -21.614 1.00 9.87  ? 176 GLY   B C   1 
ATOM   1453 O O   . GLY   A 1 170 ? -39.274 -5.067  -22.204 1.00 9.52  ? 176 GLY   B O   1 
ATOM   1454 N N   . PHE   A 1 171 ? -40.720 -6.575  -21.393 1.00 10.17 ? 177 PHE   B N   1 
ATOM   1455 C CA  . PHE   A 1 171 ? -41.927 -5.740  -21.574 1.00 9.89  ? 177 PHE   B CA  1 
ATOM   1456 C C   . PHE   A 1 171 ? -41.974 -4.645  -20.527 1.00 9.60  ? 177 PHE   B C   1 
ATOM   1457 O O   . PHE   A 1 171 ? -41.284 -4.691  -19.514 1.00 9.86  ? 177 PHE   B O   1 
ATOM   1458 C CB  . PHE   A 1 171 ? -43.207 -6.594  -21.607 1.00 11.28 ? 177 PHE   B CB  1 
ATOM   1459 C CG  . PHE   A 1 171 ? -43.306 -7.483  -22.818 1.00 11.71 ? 177 PHE   B CG  1 
ATOM   1460 C CD1 . PHE   A 1 171 ? -43.741 -6.975  -24.021 1.00 14.08 ? 177 PHE   B CD1 1 
ATOM   1461 C CD2 . PHE   A 1 171 ? -43.011 -8.831  -22.758 1.00 13.44 ? 177 PHE   B CD2 1 
ATOM   1462 C CE1 . PHE   A 1 171 ? -43.835 -7.787  -25.151 1.00 14.92 ? 177 PHE   B CE1 1 
ATOM   1463 C CE2 . PHE   A 1 171 ? -43.118 -9.634  -23.897 1.00 14.24 ? 177 PHE   B CE2 1 
ATOM   1464 C CZ  . PHE   A 1 171 ? -43.564 -9.107  -25.059 1.00 14.69 ? 177 PHE   B CZ  1 
ATOM   1465 N N   . ASN   A 1 172 ? -42.842 -3.683  -20.776 1.00 10.01 ? 178 ASN   B N   1 
ATOM   1466 C CA  . ASN   A 1 172 ? -43.056 -2.584  -19.805 1.00 9.82  ? 178 ASN   B CA  1 
ATOM   1467 C C   . ASN   A 1 172 ? -44.574 -2.429  -19.612 1.00 9.98  ? 178 ASN   B C   1 
ATOM   1468 O O   . ASN   A 1 172 ? -45.094 -1.298  -19.624 1.00 11.51 ? 178 ASN   B O   1 
ATOM   1469 C CB  . ASN   A 1 172 ? -42.395 -1.302  -20.280 1.00 10.53 ? 178 ASN   B CB  1 
ATOM   1470 C CG  . ASN   A 1 172 ? -42.434 -0.215  -19.250 1.00 10.38 ? 178 ASN   B CG  1 
ATOM   1471 O OD1 . ASN   A 1 172 ? -42.471 -0.445  -18.049 1.00 10.42 ? 178 ASN   B OD1 1 
ATOM   1472 N ND2 . ASN   A 1 172 ? -42.409 1.025   -19.709 1.00 12.62 ? 178 ASN   B ND2 1 
ATOM   1473 N N   . TYR   A 1 173 ? -45.265 -3.485  -19.266 1.00 10.35 ? 179 TYR   B N   1 
ATOM   1474 C CA  . TYR   A 1 173 ? -46.694 -3.430  -18.870 1.00 10.06 ? 179 TYR   B CA  1 
ATOM   1475 C C   . TYR   A 1 173 ? -46.830 -2.651  -17.571 1.00 10.69 ? 179 TYR   B C   1 
ATOM   1476 O O   . TYR   A 1 173 ? -47.914 -1.996  -17.368 1.00 11.73 ? 179 TYR   B O   1 
ATOM   1477 C CB  . TYR   A 1 173 ? -47.263 -4.849  -18.677 1.00 10.71 ? 179 TYR   B CB  1 
ATOM   1478 C CG  . TYR   A 1 173 ? -47.352 -5.681  -19.927 1.00 12.46 ? 179 TYR   B CG  1 
ATOM   1479 C CD1 . TYR   A 1 173 ? -48.366 -5.475  -20.855 1.00 15.73 ? 179 TYR   B CD1 1 
ATOM   1480 C CD2 . TYR   A 1 173 ? -46.500 -6.752  -20.111 1.00 14.28 ? 179 TYR   B CD2 1 
ATOM   1481 C CE1 . TYR   A 1 173 ? -48.408 -6.215  -22.031 1.00 17.09 ? 179 TYR   B CE1 1 
ATOM   1482 C CE2 . TYR   A 1 173 ? -46.553 -7.509  -21.285 1.00 14.09 ? 179 TYR   B CE2 1 
ATOM   1483 C CZ  . TYR   A 1 173 ? -47.501 -7.233  -22.228 1.00 16.41 ? 179 TYR   B CZ  1 
ATOM   1484 O OH  . TYR   A 1 173 ? -47.600 -8.021  -23.363 1.00 21.42 ? 179 TYR   B OH  1 
ATOM   1485 N N   . SER   A 1 174 ? -45.877 -2.654  -16.655 1.00 10.69 ? 180 SER   B N   1 
ATOM   1486 C CA  . SER   A 1 174 ? -45.987 -2.046  -15.312 1.00 11.32 ? 180 SER   B CA  1 
ATOM   1487 C C   . SER   A 1 174 ? -45.711 -0.534  -15.330 1.00 11.46 ? 180 SER   B C   1 
ATOM   1488 O O   . SER   A 1 174 ? -46.058 0.166   -14.342 1.00 12.86 ? 180 SER   B O   1 
ATOM   1489 C CB  . SER   A 1 174 ? -45.030 -2.665  -14.362 1.00 11.22 ? 180 SER   B CB  1 
ATOM   1490 O OG  . SER   A 1 174 ? -43.686 -2.376  -14.807 1.00 11.12 ? 180 SER   B OG  1 
ATOM   1491 N N   . GLY   A 1 175 ? -45.080 -0.007  -16.361 1.00 9.86  ? 181 GLY   B N   1 
ATOM   1492 C CA  . GLY   A 1 175 ? -44.567 1.367   -16.317 1.00 10.35 ? 181 GLY   B CA  1 
ATOM   1493 C C   . GLY   A 1 175 ? -43.318 1.516   -15.479 1.00 11.01 ? 181 GLY   B C   1 
ATOM   1494 O O   . GLY   A 1 175 ? -42.842 2.646   -15.332 1.00 12.75 ? 181 GLY   B O   1 
ATOM   1495 N N   . GLY   A 1 176 ? -42.776 0.429   -14.918 1.00 10.48 ? 182 GLY   B N   1 
ATOM   1496 C CA  . GLY   A 1 176 ? -41.553 0.472   -14.096 1.00 10.81 ? 182 GLY   B CA  1 
ATOM   1497 C C   . GLY   A 1 176 ? -40.339 -0.155  -14.775 1.00 10.90 ? 182 GLY   B C   1 
ATOM   1498 O O   . GLY   A 1 176 ? -39.292 -0.234  -14.106 1.00 13.19 ? 182 GLY   B O   1 
ATOM   1499 N N   . ASN   A 1 177 ? -40.445 -0.561  -16.022 1.00 9.19  ? 183 ASN   B N   1 
ATOM   1500 C CA  . ASN   A 1 177 ? -39.352 -1.289  -16.703 1.00 9.42  ? 183 ASN   B CA  1 
ATOM   1501 C C   . ASN   A 1 177 ? -38.909 -0.591  -17.987 1.00 9.62  ? 183 ASN   B C   1 
ATOM   1502 O O   . ASN   A 1 177 ? -38.306 -1.257  -18.844 1.00 10.83 ? 183 ASN   B O   1 
ATOM   1503 C CB  . ASN   A 1 177 ? -39.734 -2.730  -17.009 1.00 8.95  ? 183 ASN   B CB  1 
ATOM   1504 C CG  . ASN   A 1 177 ? -38.524 -3.601  -17.291 1.00 9.42  ? 183 ASN   B CG  1 
ATOM   1505 O OD1 . ASN   A 1 177 ? -37.470 -3.400  -16.669 1.00 9.62  ? 183 ASN   B OD1 1 
ATOM   1506 N ND2 . ASN   A 1 177 ? -38.681 -4.509  -18.246 1.00 9.26  ? 183 ASN   B ND2 1 
ATOM   1507 N N   . ALA   A 1 178 ? -38.992 0.743   -18.057 1.00 10.02 ? 184 ALA   B N   1 
ATOM   1508 C CA  . ALA   A 1 178 ? -38.602 1.473   -19.282 1.00 11.18 ? 184 ALA   B CA  1 
ATOM   1509 C C   . ALA   A 1 178 ? -37.083 1.613   -19.437 1.00 11.05 ? 184 ALA   B C   1 
ATOM   1510 O O   . ALA   A 1 178 ? -36.636 1.887   -20.550 1.00 12.76 ? 184 ALA   B O   1 
ATOM   1511 C CB  . ALA   A 1 178 ? -39.248 2.877   -19.275 1.00 12.56 ? 184 ALA   B CB  1 
ATOM   1512 N N   . ALA   A 1 179 ? -36.340 1.469   -18.368 1.00 10.33 ? 185 ALA   B N   1 
ATOM   1513 C CA  . ALA   A 1 179 ? -34.884 1.766   -18.426 1.00 10.82 ? 185 ALA   B CA  1 
ATOM   1514 C C   . ALA   A 1 179 ? -34.170 0.869   -19.446 1.00 10.63 ? 185 ALA   B C   1 
ATOM   1515 O O   . ALA   A 1 179 ? -34.548 -0.288  -19.710 1.00 10.44 ? 185 ALA   B O   1 
ATOM   1516 C CB  . ALA   A 1 179 ? -34.255 1.627   -17.069 1.00 11.61 ? 185 ALA   B CB  1 
ATOM   1517 N N   . PRO   A 1 180 ? -33.077 1.371   -20.032 1.00 10.43 ? 186 PRO   B N   1 
ATOM   1518 C CA  . PRO   A 1 180 ? -32.325 0.608   -21.035 1.00 10.53 ? 186 PRO   B CA  1 
ATOM   1519 C C   . PRO   A 1 180 ? -31.411 -0.498  -20.454 1.00 9.71  ? 186 PRO   B C   1 
ATOM   1520 O O   . PRO   A 1 180 ? -31.068 -0.450  -19.289 1.00 11.08 ? 186 PRO   B O   1 
ATOM   1521 C CB  . PRO   A 1 180 ? -31.445 1.684   -21.701 1.00 11.70 ? 186 PRO   B CB  1 
ATOM   1522 C CG  . PRO   A 1 180 ? -31.203 2.666   -20.600 1.00 13.56 ? 186 PRO   B CG  1 
ATOM   1523 C CD  . PRO   A 1 180 ? -32.537 2.735   -19.854 1.00 12.26 ? 186 PRO   B CD  1 
ATOM   1524 N N   . LEU   A 1 181 ? -31.040 -1.450  -21.306 1.00 9.76  ? 187 LEU   B N   1 
ATOM   1525 C CA  . LEU   A 1 181 ? -29.786 -2.215  -21.119 1.00 10.12 ? 187 LEU   B CA  1 
ATOM   1526 C C   . LEU   A 1 181 ? -28.658 -1.416  -21.751 1.00 10.32 ? 187 LEU   B C   1 
ATOM   1527 O O   . LEU   A 1 181 ? -28.819 -0.930  -22.882 1.00 12.14 ? 187 LEU   B O   1 
ATOM   1528 C CB  . LEU   A 1 181 ? -29.913 -3.580  -21.754 1.00 10.33 ? 187 LEU   B CB  1 
ATOM   1529 C CG  . LEU   A 1 181 ? -30.952 -4.524  -21.132 1.00 10.55 ? 187 LEU   B CG  1 
ATOM   1530 C CD1 . LEU   A 1 181 ? -31.125 -5.796  -21.940 1.00 11.58 ? 187 LEU   B CD1 1 
ATOM   1531 C CD2 . LEU   A 1 181 ? -30.620 -4.894  -19.697 1.00 12.05 ? 187 LEU   B CD2 1 
ATOM   1532 N N   . LYS   A 1 182 ? -27.510 -1.357  -21.087 1.00 10.50 ? 188 LYS   B N   1 
ATOM   1533 C CA  . LYS   A 1 182 ? -26.353 -0.580  -21.608 1.00 11.43 ? 188 LYS   B CA  1 
ATOM   1534 C C   . LYS   A 1 182 ? -25.116 -1.466  -21.568 1.00 11.79 ? 188 LYS   B C   1 
ATOM   1535 O O   . LYS   A 1 182 ? -24.775 -1.989  -20.486 1.00 12.11 ? 188 LYS   B O   1 
ATOM   1536 C CB  . LYS   A 1 182 ? -26.089 0.717   -20.829 1.00 12.85 ? 188 LYS   B CB  1 
ATOM   1537 C CG  . LYS   A 1 182 ? -27.264 1.659   -20.637 1.00 15.48 ? 188 LYS   B CG  1 
ATOM   1538 C CD  . LYS   A 1 182 ? -26.852 2.966   -19.951 1.00 19.13 ? 188 LYS   B CD  1 
ATOM   1539 C CE  . LYS   A 1 182 ? -27.989 3.878   -19.570 1.00 23.28 ? 188 LYS   B CE  1 
ATOM   1540 N NZ  . LYS   A 1 182 ? -27.454 5.065   -18.854 1.00 29.13 ? 188 LYS   B NZ  1 
ATOM   1541 N N   . LEU   A 1 183 ? -24.387 -1.535  -22.649 1.00 11.30 ? 189 LEU   B N   1 
ATOM   1542 C CA  . LEU   A 1 183 ? -23.050 -2.189  -22.649 1.00 11.33 ? 189 LEU   B CA  1 
ATOM   1543 C C   . LEU   A 1 183 ? -22.043 -1.250  -22.001 1.00 13.15 ? 189 LEU   B C   1 
ATOM   1544 O O   . LEU   A 1 183 ? -21.888 -0.090  -22.516 1.00 16.24 ? 189 LEU   B O   1 
ATOM   1545 C CB  . LEU   A 1 183 ? -22.684 -2.554  -24.086 1.00 12.12 ? 189 LEU   B CB  1 
ATOM   1546 C CG  . LEU   A 1 183 ? -23.422 -3.799  -24.576 1.00 13.00 ? 189 LEU   B CG  1 
ATOM   1547 C CD1 . LEU   A 1 183 ? -23.603 -3.873  -26.076 1.00 16.11 ? 189 LEU   B CD1 1 
ATOM   1548 C CD2 . LEU   A 1 183 ? -22.779 -5.073  -24.005 1.00 11.86 ? 189 LEU   B CD2 1 
ATOM   1549 N N   . CYS   A 1 184 ? -21.387 -1.708  -20.944 1.00 14.38 ? 190 CYS   B N   1 
ATOM   1550 C CA  . CYS   A 1 184 ? -20.474 -0.865  -20.116 1.00 16.73 ? 190 CYS   B CA  1 
ATOM   1551 C C   . CYS   A 1 184 ? -19.112 -0.783  -20.765 1.00 18.27 ? 190 CYS   B C   1 
ATOM   1552 O O   . CYS   A 1 184 ? -18.621 -1.739  -21.325 1.00 19.38 ? 190 CYS   B O   1 
ATOM   1553 C CB  . CYS   A 1 184 ? -20.179 -1.532  -18.790 1.00 18.87 ? 190 CYS   B CB  1 
ATOM   1554 S SG  . CYS   A 1 184 ? -21.633 -2.015  -17.868 1.00 20.38 ? 190 CYS   B SG  1 
ATOM   1555 N N   . PRO   A 1 185 ? -18.425 0.370   -20.622 1.00 22.92 ? 191 PRO   B N   1 
ATOM   1556 C CA  . PRO   A 1 185 ? -17.111 0.547   -21.208 1.00 28.37 ? 191 PRO   B CA  1 
ATOM   1557 C C   . PRO   A 1 185 ? -16.123 -0.376  -20.491 1.00 28.27 ? 191 PRO   B C   1 
ATOM   1558 O O   . PRO   A 1 185 ? -16.275 -0.612  -19.286 1.00 28.49 ? 191 PRO   B O   1 
ATOM   1559 C CB  . PRO   A 1 185 ? -16.849 2.054   -21.012 1.00 27.60 ? 191 PRO   B CB  1 
ATOM   1560 C CG  . PRO   A 1 185 ? -17.665 2.428   -19.820 1.00 28.61 ? 191 PRO   B CG  1 
ATOM   1561 C CD  . PRO   A 1 185 ? -18.913 1.581   -19.939 1.00 25.89 ? 191 PRO   B CD  1 
ATOM   1562 N N   . LEU   A 1 186 ? -15.170 -0.871  -21.280 1.00 34.78 ? 192 LEU   B N   1 
ATOM   1563 C CA  . LEU   A 1 186 ? -13.900 -1.545  -20.904 1.00 37.41 ? 192 LEU   B CA  1 
ATOM   1564 C C   . LEU   A 1 186 ? -13.058 -0.629  -20.014 1.00 43.25 ? 192 LEU   B C   1 
ATOM   1565 O O   . LEU   A 1 186 ? -12.273 -1.160  -19.221 1.00 48.37 ? 192 LEU   B O   1 
ATOM   1566 C CB  . LEU   A 1 186 ? -13.140 -1.858  -22.198 1.00 38.44 ? 192 LEU   B CB  1 
HETATM 1567 C C1  . EDO   B 2 .   ? -45.637 -3.381  -22.958 1.00 25.12 ? 201 EDO   B C1  1 
HETATM 1568 O O1  . EDO   B 2 .   ? -44.241 -3.208  -23.132 1.00 18.59 ? 201 EDO   B O1  1 
HETATM 1569 C C2  . EDO   B 2 .   ? -46.396 -3.953  -24.086 1.00 31.73 ? 201 EDO   B C2  1 
HETATM 1570 O O2  . EDO   B 2 .   ? -46.162 -3.277  -25.302 1.00 35.24 ? 201 EDO   B O2  1 
HETATM 1571 N N1  . A1BFZ C 3 .   ? -43.395 -7.314  -30.671 0.73 39.62 ? 202 A1BFZ B N1  1 
HETATM 1572 N N3  . A1BFZ C 3 .   ? -46.610 -7.059  -27.975 0.73 40.11 ? 202 A1BFZ B N3  1 
HETATM 1573 C C4  . A1BFZ C 3 .   ? -44.719 -6.364  -28.840 0.73 38.23 ? 202 A1BFZ B C4  1 
HETATM 1574 C C5  . A1BFZ C 3 .   ? -45.435 -5.305  -28.361 0.73 36.29 ? 202 A1BFZ B C5  1 
HETATM 1575 C C6  . A1BFZ C 3 .   ? -47.734 -7.843  -27.489 0.73 41.26 ? 202 A1BFZ B C6  1 
HETATM 1576 C C7  . A1BFZ C 3 .   ? -45.481 -7.491  -28.585 0.73 39.05 ? 202 A1BFZ B C7  1 
HETATM 1577 C C8  . A1BFZ C 3 .   ? -45.225 -8.930  -28.883 0.73 38.31 ? 202 A1BFZ B C8  1 
HETATM 1578 C C1  . A1BFZ C 3 .   ? -42.279 -6.821  -28.551 0.73 38.06 ? 202 A1BFZ B C1  1 
HETATM 1579 C C2  . A1BFZ C 3 .   ? -43.377 -6.394  -29.517 0.73 38.76 ? 202 A1BFZ B C2  1 
HETATM 1580 C C3  . A1BFZ C 3 .   ? -45.481 -6.948  -32.369 0.73 47.68 ? 202 A1BFZ B C3  1 
HETATM 1581 N N2  . A1BFZ C 3 .   ? -46.592 -5.707  -27.835 0.73 38.43 ? 202 A1BFZ B N2  1 
HETATM 1582 O O1  . A1BFZ C 3 .   ? -43.119 -7.708  -33.108 0.73 39.92 ? 202 A1BFZ B O1  1 
HETATM 1583 O O2  . A1BFZ C 3 .   ? -43.394 -5.423  -32.228 0.73 46.05 ? 202 A1BFZ B O2  1 
HETATM 1584 S S1  . A1BFZ C 3 .   ? -43.740 -6.810  -32.172 0.73 49.65 ? 202 A1BFZ B S1  1 
HETATM 1585 C C1  . EDO   D 2 .   ? -50.548 -16.827 -33.046 1.00 39.18 ? 203 EDO   B C1  1 
HETATM 1586 O O1  . EDO   D 2 .   ? -49.194 -16.431 -32.902 1.00 33.45 ? 203 EDO   B O1  1 
HETATM 1587 C C2  . EDO   D 2 .   ? -51.232 -17.109 -31.770 1.00 38.73 ? 203 EDO   B C2  1 
HETATM 1588 O O2  . EDO   D 2 .   ? -50.923 -16.185 -30.757 1.00 44.76 ? 203 EDO   B O2  1 
HETATM 1589 S S   . SO4   E 4 .   ? -40.426 -24.548 -26.245 1.00 33.82 ? 204 SO4   B S   1 
HETATM 1590 O O1  . SO4   E 4 .   ? -39.718 -23.562 -27.002 1.00 23.02 ? 204 SO4   B O1  1 
HETATM 1591 O O2  . SO4   E 4 .   ? -41.333 -25.269 -27.091 1.00 41.90 ? 204 SO4   B O2  1 
HETATM 1592 O O3  . SO4   E 4 .   ? -39.446 -25.462 -25.687 1.00 40.34 ? 204 SO4   B O3  1 
HETATM 1593 O O4  . SO4   E 4 .   ? -41.160 -23.931 -25.154 1.00 37.09 ? 204 SO4   B O4  1 
HETATM 1594 O O   . HOH   F 5 .   ? -47.014 -16.674 -32.046 1.00 21.68 ? 301 HOH   B O   1 
HETATM 1595 O O   . HOH   F 5 .   ? -38.712 -15.321 -11.494 1.00 30.39 ? 302 HOH   B O   1 
HETATM 1596 O O   . HOH   F 5 .   ? -26.898 -28.487 -27.698 1.00 23.52 ? 303 HOH   B O   1 
HETATM 1597 O O   . HOH   F 5 .   ? -22.764 -1.771  -9.576  1.00 25.79 ? 304 HOH   B O   1 
HETATM 1598 O O   . HOH   F 5 .   ? -45.622 3.677   -34.017 1.00 16.00 ? 305 HOH   B O   1 
HETATM 1599 O O   . HOH   F 5 .   ? -33.827 5.057   -16.970 1.00 42.18 ? 306 HOH   B O   1 
HETATM 1600 O O   . HOH   F 5 .   ? -40.112 -1.148  -9.705  1.00 29.76 ? 307 HOH   B O   1 
HETATM 1601 O O   . HOH   F 5 .   ? -13.478 -23.519 -31.474 1.00 13.44 ? 308 HOH   B O   1 
HETATM 1602 O O   . HOH   F 5 .   ? -38.020 2.824   -22.730 1.00 16.75 ? 309 HOH   B O   1 
HETATM 1603 O O   . HOH   F 5 .   ? -38.640 0.666   -11.779 1.00 32.78 ? 310 HOH   B O   1 
HETATM 1604 O O   . HOH   F 5 .   ? -29.421 -12.404 -37.592 1.00 21.98 ? 311 HOH   B O   1 
HETATM 1605 O O   . HOH   F 5 .   ? -18.647 -21.985 -35.715 1.00 16.09 ? 312 HOH   B O   1 
HETATM 1606 O O   . HOH   F 5 .   ? -35.968 -22.386 -19.526 1.00 24.53 ? 313 HOH   B O   1 
HETATM 1607 O O   . HOH   F 5 .   ? -45.549 0.086   -11.773 1.00 15.94 ? 314 HOH   B O   1 
HETATM 1608 O O   . HOH   F 5 .   ? -35.640 -19.135 -30.412 1.00 28.44 ? 315 HOH   B O   1 
HETATM 1609 O O   . HOH   F 5 .   ? -12.622 -21.181 -18.590 1.00 25.68 ? 316 HOH   B O   1 
HETATM 1610 O O   . HOH   F 5 .   ? -36.792 -16.241 -39.316 1.00 25.32 ? 317 HOH   B O   1 
HETATM 1611 O O   . HOH   F 5 .   ? -36.678 -23.071 -30.660 1.00 30.35 ? 318 HOH   B O   1 
HETATM 1612 O O   . HOH   F 5 .   ? -32.950 1.150   -33.392 1.00 17.80 ? 319 HOH   B O   1 
HETATM 1613 O O   . HOH   F 5 .   ? -45.125 7.432   -24.762 1.00 33.01 ? 320 HOH   B O   1 
HETATM 1614 O O   . HOH   F 5 .   ? -30.202 -23.972 -33.785 1.00 24.25 ? 321 HOH   B O   1 
HETATM 1615 O O   . HOH   F 5 .   ? -15.587 -5.462  -13.445 1.00 28.41 ? 322 HOH   B O   1 
HETATM 1616 O O   . HOH   F 5 .   ? -49.747 -1.894  -19.313 1.00 26.06 ? 323 HOH   B O   1 
HETATM 1617 O O   . HOH   F 5 .   ? -24.673 -30.908 -21.849 1.00 31.10 ? 324 HOH   B O   1 
HETATM 1618 O O   . HOH   F 5 .   ? -30.786 -6.661  -11.216 1.00 13.28 ? 325 HOH   B O   1 
HETATM 1619 O O   . HOH   F 5 .   ? -43.002 -15.340 -10.096 1.00 20.43 ? 326 HOH   B O   1 
HETATM 1620 O O   . HOH   F 5 .   ? -47.215 1.242   -25.497 1.00 26.87 ? 327 HOH   B O   1 
HETATM 1621 O O   . HOH   F 5 .   ? -26.101 3.507   -35.156 1.00 29.72 ? 328 HOH   B O   1 
HETATM 1622 O O   . HOH   F 5 .   ? -30.841 -20.275 -21.249 1.00 11.19 ? 329 HOH   B O   1 
HETATM 1623 O O   . HOH   F 5 .   ? -13.603 -21.000 -35.143 1.00 31.35 ? 330 HOH   B O   1 
HETATM 1624 O O   . HOH   F 5 .   ? -37.969 -14.338 -21.366 1.00 30.31 ? 331 HOH   B O   1 
HETATM 1625 O O   . HOH   F 5 .   ? -17.836 -19.895 -37.398 1.00 27.44 ? 332 HOH   B O   1 
HETATM 1626 O O   . HOH   F 5 .   ? -37.283 -25.600 -11.326 1.00 32.63 ? 333 HOH   B O   1 
HETATM 1627 O O   . HOH   F 5 .   ? -17.631 -21.324 -12.294 1.00 17.00 ? 334 HOH   B O   1 
HETATM 1628 O O   . HOH   F 5 .   ? -36.730 -26.037 -23.738 1.00 30.90 ? 335 HOH   B O   1 
HETATM 1629 O O   . HOH   F 5 .   ? -32.785 -18.308 -37.146 1.00 34.13 ? 336 HOH   B O   1 
HETATM 1630 O O   . HOH   F 5 .   ? -23.334 4.347   -24.501 1.00 22.64 ? 337 HOH   B O   1 
HETATM 1631 O O   . HOH   F 5 .   ? -16.166 -19.646 -15.557 1.00 21.87 ? 338 HOH   B O   1 
HETATM 1632 O O   . HOH   F 5 .   ? -23.829 1.213   -10.654 1.00 30.98 ? 339 HOH   B O   1 
HETATM 1633 O O   . HOH   F 5 .   ? -16.711 -5.585  -9.209  1.00 27.75 ? 340 HOH   B O   1 
HETATM 1634 O O   . HOH   F 5 .   ? -25.779 -22.717 -35.448 1.00 23.36 ? 341 HOH   B O   1 
HETATM 1635 O O   . HOH   F 5 .   ? -26.603 -25.684 -16.344 1.00 15.91 ? 342 HOH   B O   1 
HETATM 1636 O O   . HOH   F 5 .   ? -19.104 -29.693 -15.754 1.00 27.03 ? 343 HOH   B O   1 
HETATM 1637 O O   . HOH   F 5 .   ? -38.587 -7.622  -10.658 1.00 13.44 ? 344 HOH   B O   1 
HETATM 1638 O O   . HOH   F 5 .   ? -8.984  -13.458 -25.188 1.00 29.98 ? 345 HOH   B O   1 
HETATM 1639 O O   . HOH   F 5 .   ? -30.739 1.221   -16.945 1.00 24.23 ? 346 HOH   B O   1 
HETATM 1640 O O   . HOH   F 5 .   ? -10.917 -21.166 -25.021 1.00 25.52 ? 347 HOH   B O   1 
HETATM 1641 O O   . HOH   F 5 .   ? -38.797 -2.452  -21.263 1.00 12.68 ? 348 HOH   B O   1 
HETATM 1642 O O   . HOH   F 5 .   ? -17.623 -27.636 -19.579 1.00 17.36 ? 349 HOH   B O   1 
HETATM 1643 O O   . HOH   F 5 .   ? -45.138 -12.326 -26.464 1.00 28.27 ? 350 HOH   B O   1 
HETATM 1644 O O   . HOH   F 5 .   ? -9.416  -18.642 -30.159 1.00 43.06 ? 351 HOH   B O   1 
HETATM 1645 O O   . HOH   F 5 .   ? -18.497 -4.589  -24.565 1.00 16.31 ? 352 HOH   B O   1 
HETATM 1646 O O   . HOH   F 5 .   ? -40.864 -9.360  -36.660 1.00 23.57 ? 353 HOH   B O   1 
HETATM 1647 O O   . HOH   F 5 .   ? -27.769 -27.410 -25.803 1.00 22.49 ? 354 HOH   B O   1 
HETATM 1648 O O   . HOH   F 5 .   ? -28.442 -21.640 -8.933  1.00 16.28 ? 355 HOH   B O   1 
HETATM 1649 O O   . HOH   F 5 .   ? -25.439 -14.312 -3.274  1.00 30.60 ? 356 HOH   B O   1 
HETATM 1650 O O   . HOH   F 5 .   ? -19.375 -4.321  -21.963 1.00 13.99 ? 357 HOH   B O   1 
HETATM 1651 O O   . HOH   F 5 .   ? -36.245 -1.786  -33.703 1.00 17.39 ? 358 HOH   B O   1 
HETATM 1652 O O   . HOH   F 5 .   ? -34.108 -21.935 -31.268 1.00 17.22 ? 359 HOH   B O   1 
HETATM 1653 O O   . HOH   F 5 .   ? -26.523 1.952   -10.904 1.00 25.88 ? 360 HOH   B O   1 
HETATM 1654 O O   . HOH   F 5 .   ? -40.775 -14.484 -8.430  1.00 25.88 ? 361 HOH   B O   1 
HETATM 1655 O O   . HOH   F 5 .   ? -36.283 5.594   -15.879 1.00 22.25 ? 362 HOH   B O   1 
HETATM 1656 O O   . HOH   F 5 .   ? -38.434 3.822   -42.101 1.00 22.55 ? 363 HOH   B O   1 
HETATM 1657 O O   . HOH   F 5 .   ? -42.579 -5.760  -12.208 1.00 16.25 ? 364 HOH   B O   1 
HETATM 1658 O O   . HOH   F 5 .   ? -40.219 -14.327 -31.319 1.00 13.37 ? 365 HOH   B O   1 
HETATM 1659 O O   . HOH   F 5 .   ? -26.725 -17.615 -7.675  1.00 14.73 ? 366 HOH   B O   1 
HETATM 1660 O O   . HOH   F 5 .   ? -41.668 -9.781  -43.661 1.00 27.74 ? 367 HOH   B O   1 
HETATM 1661 O O   . HOH   F 5 .   ? -35.433 -17.097 -8.032  1.00 29.57 ? 368 HOH   B O   1 
HETATM 1662 O O   . HOH   F 5 .   ? -20.947 -16.293 -5.402  1.00 16.98 ? 369 HOH   B O   1 
HETATM 1663 O O   . HOH   F 5 .   ? -10.308 -23.518 -21.747 1.00 27.16 ? 370 HOH   B O   1 
HETATM 1664 O O   . HOH   F 5 .   ? -40.971 -6.030  -37.938 1.00 21.56 ? 371 HOH   B O   1 
HETATM 1665 O O   . HOH   F 5 .   ? -32.259 -4.963  -12.836 1.00 11.85 ? 372 HOH   B O   1 
HETATM 1666 O O   . HOH   F 5 .   ? -19.742 1.872   -30.338 1.00 30.60 ? 373 HOH   B O   1 
HETATM 1667 O O   . HOH   F 5 .   ? -20.582 -27.453 -29.808 1.00 16.20 ? 374 HOH   B O   1 
HETATM 1668 O O   . HOH   F 5 .   ? -33.325 -1.906  -38.440 1.00 26.38 ? 375 HOH   B O   1 
HETATM 1669 O O   . HOH   F 5 .   ? -19.113 -29.077 -23.348 1.00 24.33 ? 376 HOH   B O   1 
HETATM 1670 O O   . HOH   F 5 .   ? -36.503 -0.990  -22.002 1.00 12.20 ? 377 HOH   B O   1 
HETATM 1671 O O   . HOH   F 5 .   ? -42.217 -3.923  -39.364 1.00 17.56 ? 378 HOH   B O   1 
HETATM 1672 O O   . HOH   F 5 .   ? -41.691 1.517   -22.437 1.00 29.42 ? 379 HOH   B O   1 
HETATM 1673 O O   . HOH   F 5 .   ? -37.035 0.831   -15.466 1.00 15.62 ? 380 HOH   B O   1 
HETATM 1674 O O   . HOH   F 5 .   ? -18.246 -17.269 -36.185 1.00 24.79 ? 381 HOH   B O   1 
HETATM 1675 O O   . HOH   F 5 .   ? -43.775 -0.650  -24.292 1.00 24.49 ? 382 HOH   B O   1 
HETATM 1676 O O   . HOH   F 5 .   ? -23.310 2.356   -22.851 1.00 25.32 ? 383 HOH   B O   1 
HETATM 1677 O O   . HOH   F 5 .   ? -35.479 -4.588  -42.052 1.00 20.37 ? 384 HOH   B O   1 
HETATM 1678 O O   . HOH   F 5 .   ? -39.934 6.221   -26.063 1.00 37.50 ? 385 HOH   B O   1 
HETATM 1679 O O   . HOH   F 5 .   ? -36.561 -0.273  -42.258 1.00 32.28 ? 386 HOH   B O   1 
HETATM 1680 O O   . HOH   F 5 .   ? -21.172 -5.845  -2.081  1.00 46.25 ? 387 HOH   B O   1 
HETATM 1681 O O   . HOH   F 5 .   ? -45.665 -19.640 -31.520 1.00 24.81 ? 388 HOH   B O   1 
HETATM 1682 O O   . HOH   F 5 .   ? -25.307 -10.438 -23.466 1.00 11.30 ? 389 HOH   B O   1 
HETATM 1683 O O   . HOH   F 5 .   ? -17.912 -4.307  -5.925  1.00 34.32 ? 390 HOH   B O   1 
HETATM 1684 O O   . HOH   F 5 .   ? -24.014 -12.394 -6.489  1.00 16.97 ? 391 HOH   B O   1 
HETATM 1685 O O   . HOH   F 5 .   ? -23.685 -21.034 -38.805 1.00 20.46 ? 392 HOH   B O   1 
HETATM 1686 O O   . HOH   F 5 .   ? -14.918 -19.801 -37.449 1.00 25.75 ? 393 HOH   B O   1 
HETATM 1687 O O   . HOH   F 5 .   ? -45.918 -4.253  -33.860 1.00 17.16 ? 394 HOH   B O   1 
HETATM 1688 O O   . HOH   F 5 .   ? -24.846 -15.043 -6.721  1.00 14.59 ? 395 HOH   B O   1 
HETATM 1689 O O   . HOH   F 5 .   ? -24.251 -4.185  -36.766 1.00 32.84 ? 396 HOH   B O   1 
HETATM 1690 O O   . HOH   F 5 .   ? -33.423 -14.845 -6.848  1.00 22.71 ? 397 HOH   B O   1 
HETATM 1691 O O   . HOH   F 5 .   ? -25.767 -26.944 -23.776 1.00 15.72 ? 398 HOH   B O   1 
HETATM 1692 O O   . HOH   F 5 .   ? -34.045 -21.879 -36.457 1.00 40.89 ? 399 HOH   B O   1 
HETATM 1693 O O   . HOH   F 5 .   ? -45.616 -14.909 -27.453 1.00 34.96 ? 400 HOH   B O   1 
HETATM 1694 O O   . HOH   F 5 .   ? -9.317  -16.029 -26.434 1.00 26.26 ? 401 HOH   B O   1 
HETATM 1695 O O   . HOH   F 5 .   ? -41.531 -8.488  -13.231 1.00 16.98 ? 402 HOH   B O   1 
HETATM 1696 O O   . HOH   F 5 .   ? -31.510 3.465   -26.696 1.00 22.13 ? 403 HOH   B O   1 
HETATM 1697 O O   . HOH   F 5 .   ? -12.711 -18.518 -34.666 1.00 36.37 ? 404 HOH   B O   1 
HETATM 1698 O O   . HOH   F 5 .   ? -40.774 6.307   -32.974 1.00 25.60 ? 405 HOH   B O   1 
HETATM 1699 O O   . HOH   F 5 .   ? -41.310 5.298   -28.260 1.00 24.73 ? 406 HOH   B O   1 
HETATM 1700 O O   . HOH   F 5 .   ? -16.033 -14.645 -8.533  1.00 32.65 ? 407 HOH   B O   1 
HETATM 1701 O O   . HOH   F 5 .   ? -39.968 2.700   -16.043 1.00 14.60 ? 408 HOH   B O   1 
HETATM 1702 O O   . HOH   F 5 .   ? -14.383 -16.474 -33.051 1.00 28.16 ? 409 HOH   B O   1 
HETATM 1703 O O   . HOH   F 5 .   ? -28.769 7.892   -29.830 1.00 28.76 ? 410 HOH   B O   1 
HETATM 1704 O O   . HOH   F 5 .   ? -24.851 -11.089 -4.103  1.00 21.93 ? 411 HOH   B O   1 
HETATM 1705 O O   . HOH   F 5 .   ? -42.368 -5.026  -43.606 1.00 19.88 ? 412 HOH   B O   1 
HETATM 1706 O O   . HOH   F 5 .   ? -9.329  -20.748 -28.756 1.00 34.21 ? 413 HOH   B O   1 
HETATM 1707 O O   . HOH   F 5 .   ? -13.228 -6.229  -29.100 1.00 30.93 ? 414 HOH   B O   1 
HETATM 1708 O O   . HOH   F 5 .   ? -17.991 -16.052 -6.082  1.00 23.14 ? 415 HOH   B O   1 
HETATM 1709 O O   . HOH   F 5 .   ? -35.776 -3.070  -9.937  1.00 43.79 ? 416 HOH   B O   1 
HETATM 1710 O O   . HOH   F 5 .   ? -30.994 4.083   -24.206 1.00 23.28 ? 417 HOH   B O   1 
HETATM 1711 O O   . HOH   F 5 .   ? -39.954 -11.676 -22.633 1.00 30.16 ? 418 HOH   B O   1 
HETATM 1712 O O   . HOH   F 5 .   ? -17.848 -11.111 -35.492 1.00 25.40 ? 419 HOH   B O   1 
HETATM 1713 O O   . HOH   F 5 .   ? -43.305 3.792   -18.759 1.00 18.66 ? 420 HOH   B O   1 
HETATM 1714 O O   . HOH   F 5 .   ? -41.069 -8.774  -19.293 1.00 13.44 ? 421 HOH   B O   1 
HETATM 1715 O O   . HOH   F 5 .   ? -40.331 -7.454  -34.700 1.00 19.20 ? 422 HOH   B O   1 
HETATM 1716 O O   . HOH   F 5 .   ? -52.443 -14.203 -28.959 1.00 44.09 ? 423 HOH   B O   1 
HETATM 1717 O O   . HOH   F 5 .   ? -19.872 2.235   -23.859 1.00 36.20 ? 424 HOH   B O   1 
HETATM 1718 O O   . HOH   F 5 .   ? -34.341 -7.182  -7.787  1.00 29.45 ? 425 HOH   B O   1 
HETATM 1719 O O   . HOH   F 5 .   ? -38.789 4.005   -13.628 1.00 32.54 ? 426 HOH   B O   1 
HETATM 1720 O O   . HOH   F 5 .   ? -25.105 7.134   -28.700 1.00 26.71 ? 427 HOH   B O   1 
HETATM 1721 O O   . HOH   F 5 .   ? -15.930 -12.187 -5.327  1.00 44.58 ? 428 HOH   B O   1 
HETATM 1722 O O   . HOH   F 5 .   ? -34.643 -9.006  -5.961  1.00 41.43 ? 429 HOH   B O   1 
HETATM 1723 O O   . HOH   F 5 .   ? -16.022 -7.398  -11.154 1.00 27.81 ? 430 HOH   B O   1 
HETATM 1724 O O   . HOH   F 5 .   ? -47.734 0.000   -32.750 0.50 21.63 ? 431 HOH   B O   1 
HETATM 1725 O O   . HOH   F 5 .   ? -32.740 -23.628 -33.189 1.00 34.86 ? 432 HOH   B O   1 
HETATM 1726 O O   . HOH   F 5 .   ? -30.864 -17.442 -42.620 1.00 33.11 ? 433 HOH   B O   1 
HETATM 1727 O O   . HOH   F 5 .   ? -8.448  -22.954 -30.175 1.00 29.91 ? 434 HOH   B O   1 
HETATM 1728 O O   . HOH   F 5 .   ? -36.714 -6.579  -8.846  1.00 30.12 ? 435 HOH   B O   1 
HETATM 1729 O O   . HOH   F 5 .   ? -26.297 -28.226 -21.407 1.00 33.22 ? 436 HOH   B O   1 
HETATM 1730 O O   . HOH   F 5 .   ? -21.570 6.895   -32.147 1.00 28.42 ? 437 HOH   B O   1 
HETATM 1731 O O   . HOH   F 5 .   ? -40.190 5.135   -22.033 1.00 26.78 ? 438 HOH   B O   1 
HETATM 1732 O O   . HOH   F 5 .   ? -22.815 3.406   -20.504 1.00 37.75 ? 439 HOH   B O   1 
HETATM 1733 O O   . HOH   F 5 .   ? -36.725 2.232   -43.209 1.00 37.79 ? 440 HOH   B O   1 
HETATM 1734 O O   . HOH   F 5 .   ? -38.738 -16.475 -40.889 1.00 33.88 ? 441 HOH   B O   1 
HETATM 1735 O O   . HOH   F 5 .   ? -15.945 -22.343 -14.446 1.00 25.97 ? 442 HOH   B O   1 
HETATM 1736 O O   . HOH   F 5 .   ? -28.442 -27.693 -16.825 1.00 23.31 ? 443 HOH   B O   1 
HETATM 1737 O O   . HOH   F 5 .   ? -15.973 -26.918 -17.144 1.00 35.64 ? 444 HOH   B O   1 
HETATM 1738 O O   . HOH   F 5 .   ? -26.425 -31.138 -23.820 1.00 26.59 ? 445 HOH   B O   1 
HETATM 1739 O O   . HOH   F 5 .   ? -42.199 -12.945 -22.277 1.00 27.19 ? 446 HOH   B O   1 
# 
