data_7HO0
# 
_entry.id   7HO0 
# 
_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   7HO0         pdb_00007ho0 10.2210/pdb7ho0/pdb 
WWPDB D_1001407714 ?            ?                   
# 
_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                        7HO0 
_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 'N-methyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]methanesulfonamide' 234.316   1   ?        ? ? ? 
3 non-polymer syn 1,2-ETHANEDIOL                                                 62.068    1   ?        ? ? ? 
4 non-polymer syn 'SULFATE ION'                                                  96.063    1   ?        ? ? ? 
5 water       nat water                                                          18.015    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 'N-methyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]methanesulfonamide' A1A3S 
3 1,2-ETHANEDIOL                                                 EDO   
4 'SULFATE ION'                                                  SO4   
5 water                                                          HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   HIS n 
1 3   HIS n 
1 4   HIS n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   MET n 
1 9   VAL n 
1 10  HIS n 
1 11  ILE n 
1 12  THR n 
1 13  LEU n 
1 14  ASP n 
1 15  ARG n 
1 16  ASN n 
1 17  THR n 
1 18  ALA n 
1 19  ASN n 
1 20  SER n 
1 21  TRP n 
1 22  LEU n 
1 23  ILE n 
1 24  ILE n 
1 25  SER n 
1 26  LYS n 
1 27  ASP n 
1 28  ARG n 
1 29  ARG n 
1 30  GLN n 
1 31  VAL n 
1 32  ARG n 
1 33  MET n 
1 34  GLY n 
1 35  ASP n 
1 36  THR n 
1 37  HIS n 
1 38  GLN n 
1 39  ASN n 
1 40  VAL n 
1 41  SER n 
1 42  ASP n 
1 43  ASN n 
1 44  LYS n 
1 45  GLU n 
1 46  ARG n 
1 47  PHE n 
1 48  SER n 
1 49  ASN n 
1 50  TYR n 
1 51  PRO n 
1 52  MET n 
1 53  VAL n 
1 54  LEU n 
1 55  GLY n 
1 56  ALA n 
1 57  GLN n 
1 58  ARG n 
1 59  PHE n 
1 60  SER n 
1 61  SER n 
1 62  GLY n 
1 63  LYS n 
1 64  MET n 
1 65  TYR n 
1 66  TRP n 
1 67  GLU n 
1 68  VAL n 
1 69  ASP n 
1 70  VAL n 
1 71  THR n 
1 72  GLN n 
1 73  LYS n 
1 74  GLU n 
1 75  ALA n 
1 76  TRP n 
1 77  ASP n 
1 78  LEU n 
1 79  GLY n 
1 80  VAL n 
1 81  CYS n 
1 82  ARG n 
1 83  ASP n 
1 84  SER n 
1 85  VAL n 
1 86  GLN n 
1 87  ARG n 
1 88  LYS n 
1 89  GLY n 
1 90  GLN n 
1 91  PHE n 
1 92  SER n 
1 93  LEU n 
1 94  SER n 
1 95  PRO n 
1 96  GLU n 
1 97  ASN n 
1 98  GLY n 
1 99  PHE n 
1 100 TRP n 
1 101 THR n 
1 102 ILE n 
1 103 TRP n 
1 104 LEU n 
1 105 TRP n 
1 106 GLN n 
1 107 ASP n 
1 108 SER n 
1 109 TYR n 
1 110 GLU n 
1 111 ALA n 
1 112 GLY n 
1 113 THR n 
1 114 SER n 
1 115 PRO n 
1 116 GLN n 
1 117 THR n 
1 118 THR n 
1 119 LEU n 
1 120 HIS n 
1 121 ILE n 
1 122 GLN n 
1 123 VAL n 
1 124 PRO n 
1 125 PRO n 
1 126 CYS n 
1 127 GLN n 
1 128 ILE n 
1 129 GLY n 
1 130 ILE n 
1 131 PHE n 
1 132 VAL n 
1 133 ASP n 
1 134 TYR n 
1 135 GLU n 
1 136 ALA n 
1 137 GLY n 
1 138 VAL n 
1 139 VAL n 
1 140 SER n 
1 141 PHE n 
1 142 TYR n 
1 143 ASN n 
1 144 ILE n 
1 145 THR n 
1 146 ASP n 
1 147 HIS n 
1 148 GLY n 
1 149 SER n 
1 150 LEU n 
1 151 ILE n 
1 152 TYR n 
1 153 THR n 
1 154 PHE n 
1 155 SER n 
1 156 GLU n 
1 157 CYS n 
1 158 VAL n 
1 159 PHE n 
1 160 ALA n 
1 161 GLY n 
1 162 PRO n 
1 163 LEU n 
1 164 ARG n 
1 165 PRO n 
1 166 PHE n 
1 167 PHE n 
1 168 ASN n 
1 169 VAL n 
1 170 GLY n 
1 171 PHE n 
1 172 ASN n 
1 173 TYR n 
1 174 SER n 
1 175 GLY n 
1 176 GLY n 
1 177 ASN n 
1 178 ALA n 
1 179 ALA n 
1 180 PRO n 
1 181 LEU n 
1 182 LYS n 
1 183 LEU n 
1 184 CYS n 
1 185 PRO n 
1 186 LEU n 
1 187 LYS n 
1 188 MET n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   188 
_entity_src_gen.gene_src_common_name               'house mouse' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'Trim21, Ro52, Ssa1' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Mus musculus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     10090 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
A1A3S non-polymer         . 'N-methyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]methanesulfonamide' ?                 'C9 H18 N2 O3 S' 
234.316 
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        A1A3S 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1A3S 
_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 A1A3S 1   401 401 A1A3S LIG B . 
C 3 EDO   1   402 305 EDO   EDO B . 
D 4 SO4   1   403 1   SO4   SO4 B . 
E 5 HOH   1   501 4   HOH   HOH B . 
E 5 HOH   2   502 11  HOH   HOH B . 
E 5 HOH   3   503 12  HOH   HOH B . 
E 5 HOH   4   504 264 HOH   HOH B . 
E 5 HOH   5   505 21  HOH   HOH B . 
E 5 HOH   6   506 1   HOH   HOH B . 
E 5 HOH   7   507 85  HOH   HOH B . 
E 5 HOH   8   508 107 HOH   HOH B . 
E 5 HOH   9   509 2   HOH   HOH B . 
E 5 HOH   10  510 29  HOH   HOH B . 
E 5 HOH   11  511 27  HOH   HOH B . 
E 5 HOH   12  512 63  HOH   HOH B . 
E 5 HOH   13  513 9   HOH   HOH B . 
E 5 HOH   14  514 33  HOH   HOH B . 
E 5 HOH   15  515 26  HOH   HOH B . 
E 5 HOH   16  516 66  HOH   HOH B . 
E 5 HOH   17  517 25  HOH   HOH B . 
E 5 HOH   18  518 95  HOH   HOH B . 
E 5 HOH   19  519 34  HOH   HOH B . 
E 5 HOH   20  520 40  HOH   HOH B . 
E 5 HOH   21  521 90  HOH   HOH B . 
E 5 HOH   22  522 16  HOH   HOH B . 
E 5 HOH   23  523 102 HOH   HOH B . 
E 5 HOH   24  524 11  HOH   HOH B . 
E 5 HOH   25  525 51  HOH   HOH B . 
E 5 HOH   26  526 80  HOH   HOH B . 
E 5 HOH   27  527 70  HOH   HOH B . 
E 5 HOH   28  528 39  HOH   HOH B . 
E 5 HOH   29  529 31  HOH   HOH B . 
E 5 HOH   30  530 28  HOH   HOH B . 
E 5 HOH   31  531 129 HOH   HOH B . 
E 5 HOH   32  532 68  HOH   HOH B . 
E 5 HOH   33  533 10  HOH   HOH B . 
E 5 HOH   34  534 267 HOH   HOH B . 
E 5 HOH   35  535 16  HOH   HOH B . 
E 5 HOH   36  536 5   HOH   HOH B . 
E 5 HOH   37  537 36  HOH   HOH B . 
E 5 HOH   38  538 26  HOH   HOH B . 
E 5 HOH   39  539 214 HOH   HOH B . 
E 5 HOH   40  540 86  HOH   HOH B . 
E 5 HOH   41  541 22  HOH   HOH B . 
E 5 HOH   42  542 2   HOH   HOH B . 
E 5 HOH   43  543 89  HOH   HOH B . 
E 5 HOH   44  544 211 HOH   HOH B . 
E 5 HOH   45  545 100 HOH   HOH B . 
E 5 HOH   46  546 20  HOH   HOH B . 
E 5 HOH   47  547 62  HOH   HOH B . 
E 5 HOH   48  548 126 HOH   HOH B . 
E 5 HOH   49  549 72  HOH   HOH B . 
E 5 HOH   50  550 18  HOH   HOH B . 
E 5 HOH   51  551 29  HOH   HOH B . 
E 5 HOH   52  552 50  HOH   HOH B . 
E 5 HOH   53  553 7   HOH   HOH B . 
E 5 HOH   54  554 157 HOH   HOH B . 
E 5 HOH   55  555 81  HOH   HOH B . 
E 5 HOH   56  556 6   HOH   HOH B . 
E 5 HOH   57  557 58  HOH   HOH B . 
E 5 HOH   58  558 10  HOH   HOH B . 
E 5 HOH   59  559 99  HOH   HOH B . 
E 5 HOH   60  560 19  HOH   HOH B . 
E 5 HOH   61  561 15  HOH   HOH B . 
E 5 HOH   62  562 93  HOH   HOH B . 
E 5 HOH   63  563 14  HOH   HOH B . 
E 5 HOH   64  564 1   HOH   HOH B . 
E 5 HOH   65  565 137 HOH   HOH B . 
E 5 HOH   66  566 55  HOH   HOH B . 
E 5 HOH   67  567 76  HOH   HOH B . 
E 5 HOH   68  568 8   HOH   HOH B . 
E 5 HOH   69  569 47  HOH   HOH B . 
E 5 HOH   70  570 184 HOH   HOH B . 
E 5 HOH   71  571 3   HOH   HOH B . 
E 5 HOH   72  572 22  HOH   HOH B . 
E 5 HOH   73  573 61  HOH   HOH B . 
E 5 HOH   74  574 172 HOH   HOH B . 
E 5 HOH   75  575 71  HOH   HOH B . 
E 5 HOH   76  576 304 HOH   HOH B . 
E 5 HOH   77  577 4   HOH   HOH B . 
E 5 HOH   78  578 27  HOH   HOH B . 
E 5 HOH   79  579 17  HOH   HOH B . 
E 5 HOH   80  580 43  HOH   HOH B . 
E 5 HOH   81  581 73  HOH   HOH B . 
E 5 HOH   82  582 33  HOH   HOH B . 
E 5 HOH   83  583 3   HOH   HOH B . 
E 5 HOH   84  584 112 HOH   HOH B . 
E 5 HOH   85  585 13  HOH   HOH B . 
E 5 HOH   86  586 59  HOH   HOH B . 
E 5 HOH   87  587 32  HOH   HOH B . 
E 5 HOH   88  588 25  HOH   HOH B . 
E 5 HOH   89  589 45  HOH   HOH B . 
E 5 HOH   90  590 281 HOH   HOH B . 
E 5 HOH   91  591 48  HOH   HOH B . 
E 5 HOH   92  592 116 HOH   HOH B . 
E 5 HOH   93  593 24  HOH   HOH B . 
E 5 HOH   94  594 303 HOH   HOH B . 
E 5 HOH   95  595 125 HOH   HOH B . 
E 5 HOH   96  596 64  HOH   HOH B . 
E 5 HOH   97  597 32  HOH   HOH B . 
E 5 HOH   98  598 18  HOH   HOH B . 
E 5 HOH   99  599 60  HOH   HOH B . 
E 5 HOH   100 600 23  HOH   HOH B . 
E 5 HOH   101 601 46  HOH   HOH B . 
E 5 HOH   102 602 12  HOH   HOH B . 
E 5 HOH   103 603 20  HOH   HOH B . 
E 5 HOH   104 604 8   HOH   HOH B . 
E 5 HOH   105 605 257 HOH   HOH B . 
E 5 HOH   106 606 140 HOH   HOH B . 
E 5 HOH   107 607 56  HOH   HOH B . 
E 5 HOH   108 608 57  HOH   HOH B . 
E 5 HOH   109 609 97  HOH   HOH B . 
E 5 HOH   110 610 7   HOH   HOH B . 
E 5 HOH   111 611 49  HOH   HOH B . 
E 5 HOH   112 612 30  HOH   HOH B . 
E 5 HOH   113 613 103 HOH   HOH B . 
E 5 HOH   114 614 5   HOH   HOH B . 
E 5 HOH   115 615 42  HOH   HOH B . 
E 5 HOH   116 616 54  HOH   HOH B . 
E 5 HOH   117 617 41  HOH   HOH B . 
E 5 HOH   118 618 120 HOH   HOH B . 
E 5 HOH   119 619 69  HOH   HOH B . 
E 5 HOH   120 620 15  HOH   HOH B . 
E 5 HOH   121 621 82  HOH   HOH B . 
E 5 HOH   122 622 38  HOH   HOH B . 
E 5 HOH   123 623 154 HOH   HOH B . 
E 5 HOH   124 624 53  HOH   HOH B . 
E 5 HOH   125 625 19  HOH   HOH B . 
E 5 HOH   126 626 44  HOH   HOH B . 
E 5 HOH   127 627 197 HOH   HOH B . 
E 5 HOH   128 628 133 HOH   HOH B . 
E 5 HOH   129 629 263 HOH   HOH B . 
E 5 HOH   130 630 156 HOH   HOH B . 
E 5 HOH   131 631 30  HOH   HOH B . 
E 5 HOH   132 632 266 HOH   HOH B . 
E 5 HOH   133 633 114 HOH   HOH B . 
E 5 HOH   134 634 23  HOH   HOH B . 
E 5 HOH   135 635 115 HOH   HOH B . 
E 5 HOH   136 636 13  HOH   HOH B . 
E 5 HOH   137 637 21  HOH   HOH B . 
E 5 HOH   138 638 98  HOH   HOH B . 
E 5 HOH   139 639 104 HOH   HOH B . 
E 5 HOH   140 640 205 HOH   HOH B . 
E 5 HOH   141 641 127 HOH   HOH B . 
E 5 HOH   142 642 166 HOH   HOH B . 
E 5 HOH   143 643 14  HOH   HOH B . 
E 5 HOH   144 644 270 HOH   HOH B . 
E 5 HOH   145 645 131 HOH   HOH B . 
E 5 HOH   146 646 259 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           7HO0 
_cell.length_a           95.397 
_cell.length_b           95.397 
_cell.length_c           45.715 
_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                         7HO0 
_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          7HO0 
_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   48.92 
_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                     7HO0 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             67.460 
_reflns.d_resolution_high            1.150 
_reflns.number_obs                   62017 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         84.500 
_reflns.pdbx_Rmerge_I_obs            0.034 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        30.600 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              9.400 
_reflns.pdbx_Rrim_I_all              0.036 
_reflns.pdbx_Rpim_I_all              0.010 
_reflns.pdbx_CC_half                 1.000 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     584343 
_reflns.pdbx_scaling_rejects         0 
_reflns.pdbx_chi_squared             ? 
_reflns.Rmerge_F_all                 ? 
_reflns.Rmerge_F_obs                 ? 
_reflns.observed_criterion_F_max     ? 
_reflns.observed_criterion_F_min     ? 
_reflns.observed_criterion_I_max     ? 
_reflns.observed_criterion_I_min     ? 
_reflns.pdbx_d_res_high_opt          ? 
_reflns.pdbx_d_res_low_opt           ? 
_reflns.details                      ? 
# 
loop_
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_ordinal 
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.number_measured_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_unique_obs 
_reflns_shell.pdbx_rejects 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_redundancy 
_reflns_shell.percent_possible_obs 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.Rmerge_I_all 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.percent_possible_all 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_CC_half 
1 1 1.150 1.170  ? 336  332 ? 0.277 ? ? ? 1.000  ? 0.900   ? ? ? ? ? ? 9.200  0.391 0.277 ?     
1 2 6.290 67.460 ? 6147 486 ? 0.027 ? ? ? 12.600 ? 125.400 ? ? ? ? ? ? 99.900 0.028 0.009 0.999 
# 
_refine.entry_id                                 7HO0 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.1500 
_refine.ls_d_res_low                             67.4600 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    84.4700 
_refine.ls_number_reflns_obs                     59012 
_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                          0.1778 
_refine.ls_R_factor_R_work                       0.1769 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.1955 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.8000 
_refine.ls_number_reflns_R_free                  3004 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               14.0560 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.0600 
_refine.aniso_B[2][2]                            0.0600 
_refine.aniso_B[3][3]                            -0.1300 
_refine.aniso_B[1][2]                            -0.0000 
_refine.aniso_B[1][3]                            -0.0000 
_refine.aniso_B[2][3]                            -0.0000 
_refine.correlation_coeff_Fo_to_Fc               0.9690 
_refine.correlation_coeff_Fo_to_Fc_free          0.9610 
_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                       0.0430 
_refine.pdbx_overall_ESU_R_Free                  0.0440 
_refine.overall_SU_ML                            0.0300 
_refine.overall_SU_B                             0.6690 
_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                                64.480 
_refine.B_iso_min                                7.250 
_refine.pdbx_overall_phase_error                 ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.pdbx_diffrn_id                           1 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.ls_R_factor_R_free_error_details         ? 
# 
_refine_hist.cycle_id                         final 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.d_res_high                       1.1500 
_refine_hist.d_res_low                        67.4600 
_refine_hist.pdbx_number_atoms_ligand         24 
_refine_hist.number_atoms_solvent             146 
_refine_hist.number_atoms_total               1663 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           25.22 
_refine_hist.pdbx_B_iso_mean_solvent          24.43 
_refine_hist.pdbx_number_atoms_protein        1493 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.type 
_refine_ls_restr.number 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' r_bond_refined_d       2056 0.013  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1648 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2567 1.877  1.639  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3807 1.444  1.577  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 241  7.302  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 112  27.054 20.982 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 288  11.734 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   22.440 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         224  0.087  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2279 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     507  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            969  1.250  1.253  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         965  1.222  1.244  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1153 1.966  1.878  ? ? 
# 
_refine_ls_shell.d_res_high                       1.1480 
_refine_ls_shell.d_res_low                        1.1770 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               12.9500 
_refine_ls_shell.number_reflns_R_work             657 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3040 
_refine_ls_shell.R_factor_R_free                  0.3390 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             39 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                696 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HO0 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z363071686' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HO0 
_struct_keywords.text            'SGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, TRIM21, LIGASE' 
_struct_keywords.pdbx_keywords   LIGASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
E N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    RO52_MOUSE 
_struct_ref.pdbx_db_accession          Q62191 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;VHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGVCRDSVQRK
GQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFAGPLRPFFN
VGFNYSGGNAAPLKLCPLKM
;
_struct_ref.pdbx_align_begin           291 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              7HO0 
_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 7HO0 MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HO0 HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HO0 HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HO0 HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HO0 HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HO0 HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HO0 HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HO0 MET B 8 ? UNP Q62191 ? ? 'expression tag'        14 8 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 4  ? MET A 8  ? HIS B 10  MET B 14  5 ? 5 
HELX_P HELX_P2 AA2 ASP A 14 ? ALA A 18 ? ASP B 20  ALA B 24  5 ? 5 
HELX_P HELX_P3 AA3 SER A 94 ? ASN A 97 ? SER B 100 ASN B 103 5 ? 4 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           114 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            120 
_struct_mon_prot_cis.auth_asym_id           B 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    115 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     121 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    B 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -1.92 
# 
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                   7HO0 
_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_bond.id                        1 
_pdbx_validate_rmsd_bond.PDB_model_num             1 
_pdbx_validate_rmsd_bond.auth_atom_id_1            CD 
_pdbx_validate_rmsd_bond.auth_asym_id_1            B 
_pdbx_validate_rmsd_bond.auth_comp_id_1            GLU 
_pdbx_validate_rmsd_bond.auth_seq_id_1             141 
_pdbx_validate_rmsd_bond.PDB_ins_code_1            ? 
_pdbx_validate_rmsd_bond.label_alt_id_1            ? 
_pdbx_validate_rmsd_bond.auth_atom_id_2            OE1 
_pdbx_validate_rmsd_bond.auth_asym_id_2            B 
_pdbx_validate_rmsd_bond.auth_comp_id_2            GLU 
_pdbx_validate_rmsd_bond.auth_seq_id_2             141 
_pdbx_validate_rmsd_bond.PDB_ins_code_2            ? 
_pdbx_validate_rmsd_bond.label_alt_id_2            ? 
_pdbx_validate_rmsd_bond.bond_value                1.185 
_pdbx_validate_rmsd_bond.bond_target_value         1.252 
_pdbx_validate_rmsd_bond.bond_deviation            -0.067 
_pdbx_validate_rmsd_bond.bond_standard_deviation   0.011 
_pdbx_validate_rmsd_bond.linker_flag               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                130.96 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            19.16 
_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  ? ? 71.75   36.45 
2 1 ASP B 152 ? ? -102.19 52.82 
# 
_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     633 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   E 
_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 
A1A3S N1   N N N 1   
A1A3S C4   C N N 2   
A1A3S C5   C N N 3   
A1A3S C6   C N N 4   
A1A3S C7   C N N 5   
A1A3S C8   C N N 6   
A1A3S O2   O N N 7   
A1A3S S    S N N 8   
A1A3S O1   O N N 9   
A1A3S N    N N N 10  
A1A3S C    C N N 11  
A1A3S C1   C N N 12  
A1A3S C2   C N N 13  
A1A3S O    O N N 14  
A1A3S C3   C N N 15  
A1A3S H7   H N N 16  
A1A3S H8   H N N 17  
A1A3S H9   H N N 18  
A1A3S H10  H N N 19  
A1A3S H11  H N N 20  
A1A3S H12  H N N 21  
A1A3S H13  H N N 22  
A1A3S H14  H N N 23  
A1A3S H17  H N N 24  
A1A3S H15  H N N 25  
A1A3S H16  H N N 26  
A1A3S H2   H N N 27  
A1A3S H1   H N N 28  
A1A3S H    H N N 29  
A1A3S H3   H N N 30  
A1A3S H4   H N N 31  
A1A3S H5   H N N 32  
A1A3S H6   H N N 33  
ALA   N    N N N 34  
ALA   CA   C N S 35  
ALA   C    C N N 36  
ALA   O    O N N 37  
ALA   CB   C N N 38  
ALA   OXT  O N N 39  
ALA   H    H N N 40  
ALA   H2   H N N 41  
ALA   HA   H N N 42  
ALA   HB1  H N N 43  
ALA   HB2  H N N 44  
ALA   HB3  H N N 45  
ALA   HXT  H N N 46  
ARG   N    N N N 47  
ARG   CA   C N S 48  
ARG   C    C N N 49  
ARG   O    O N N 50  
ARG   CB   C N N 51  
ARG   CG   C N N 52  
ARG   CD   C N N 53  
ARG   NE   N N N 54  
ARG   CZ   C N N 55  
ARG   NH1  N N N 56  
ARG   NH2  N N N 57  
ARG   OXT  O N N 58  
ARG   H    H N N 59  
ARG   H2   H N N 60  
ARG   HA   H N N 61  
ARG   HB2  H N N 62  
ARG   HB3  H N N 63  
ARG   HG2  H N N 64  
ARG   HG3  H N N 65  
ARG   HD2  H N N 66  
ARG   HD3  H N N 67  
ARG   HE   H N N 68  
ARG   HH11 H N N 69  
ARG   HH12 H N N 70  
ARG   HH21 H N N 71  
ARG   HH22 H N N 72  
ARG   HXT  H N N 73  
ASN   N    N N N 74  
ASN   CA   C N S 75  
ASN   C    C N N 76  
ASN   O    O N N 77  
ASN   CB   C N N 78  
ASN   CG   C N N 79  
ASN   OD1  O N N 80  
ASN   ND2  N N N 81  
ASN   OXT  O N N 82  
ASN   H    H N N 83  
ASN   H2   H N N 84  
ASN   HA   H N N 85  
ASN   HB2  H N N 86  
ASN   HB3  H N N 87  
ASN   HD21 H N N 88  
ASN   HD22 H N N 89  
ASN   HXT  H N N 90  
ASP   N    N N N 91  
ASP   CA   C N S 92  
ASP   C    C N N 93  
ASP   O    O N N 94  
ASP   CB   C N N 95  
ASP   CG   C N N 96  
ASP   OD1  O N N 97  
ASP   OD2  O N N 98  
ASP   OXT  O N N 99  
ASP   H    H N N 100 
ASP   H2   H N N 101 
ASP   HA   H N N 102 
ASP   HB2  H N N 103 
ASP   HB3  H N N 104 
ASP   HD2  H N N 105 
ASP   HXT  H N N 106 
CYS   N    N N N 107 
CYS   CA   C N R 108 
CYS   C    C N N 109 
CYS   O    O N N 110 
CYS   CB   C N N 111 
CYS   SG   S N N 112 
CYS   OXT  O N N 113 
CYS   H    H N N 114 
CYS   H2   H N N 115 
CYS   HA   H N N 116 
CYS   HB2  H N N 117 
CYS   HB3  H N N 118 
CYS   HG   H N N 119 
CYS   HXT  H N N 120 
EDO   C1   C N N 121 
EDO   O1   O N N 122 
EDO   C2   C N N 123 
EDO   O2   O N N 124 
EDO   H11  H N N 125 
EDO   H12  H N N 126 
EDO   HO1  H N N 127 
EDO   H21  H N N 128 
EDO   H22  H N N 129 
EDO   HO2  H N N 130 
GLN   N    N N N 131 
GLN   CA   C N S 132 
GLN   C    C N N 133 
GLN   O    O N N 134 
GLN   CB   C N N 135 
GLN   CG   C N N 136 
GLN   CD   C N N 137 
GLN   OE1  O N N 138 
GLN   NE2  N N N 139 
GLN   OXT  O N N 140 
GLN   H    H N N 141 
GLN   H2   H N N 142 
GLN   HA   H N N 143 
GLN   HB2  H N N 144 
GLN   HB3  H N N 145 
GLN   HG2  H N N 146 
GLN   HG3  H N N 147 
GLN   HE21 H N N 148 
GLN   HE22 H N N 149 
GLN   HXT  H N N 150 
GLU   N    N N N 151 
GLU   CA   C N S 152 
GLU   C    C N N 153 
GLU   O    O N N 154 
GLU   CB   C N N 155 
GLU   CG   C N N 156 
GLU   CD   C N N 157 
GLU   OE1  O N N 158 
GLU   OE2  O N N 159 
GLU   OXT  O N N 160 
GLU   H    H N N 161 
GLU   H2   H N N 162 
GLU   HA   H N N 163 
GLU   HB2  H N N 164 
GLU   HB3  H N N 165 
GLU   HG2  H N N 166 
GLU   HG3  H N N 167 
GLU   HE2  H N N 168 
GLU   HXT  H N N 169 
GLY   N    N N N 170 
GLY   CA   C N N 171 
GLY   C    C N N 172 
GLY   O    O N N 173 
GLY   OXT  O N N 174 
GLY   H    H N N 175 
GLY   H2   H N N 176 
GLY   HA2  H N N 177 
GLY   HA3  H N N 178 
GLY   HXT  H N N 179 
HIS   N    N N N 180 
HIS   CA   C N S 181 
HIS   C    C N N 182 
HIS   O    O N N 183 
HIS   CB   C N N 184 
HIS   CG   C Y N 185 
HIS   ND1  N Y N 186 
HIS   CD2  C Y N 187 
HIS   CE1  C Y N 188 
HIS   NE2  N Y N 189 
HIS   OXT  O N N 190 
HIS   H    H N N 191 
HIS   H2   H N N 192 
HIS   HA   H N N 193 
HIS   HB2  H N N 194 
HIS   HB3  H N N 195 
HIS   HD1  H N N 196 
HIS   HD2  H N N 197 
HIS   HE1  H N N 198 
HIS   HE2  H N N 199 
HIS   HXT  H N N 200 
HOH   O    O N N 201 
HOH   H1   H N N 202 
HOH   H2   H N N 203 
ILE   N    N N N 204 
ILE   CA   C N S 205 
ILE   C    C N N 206 
ILE   O    O N N 207 
ILE   CB   C N S 208 
ILE   CG1  C N N 209 
ILE   CG2  C N N 210 
ILE   CD1  C N N 211 
ILE   OXT  O N N 212 
ILE   H    H N N 213 
ILE   H2   H N N 214 
ILE   HA   H N N 215 
ILE   HB   H N N 216 
ILE   HG12 H N N 217 
ILE   HG13 H N N 218 
ILE   HG21 H N N 219 
ILE   HG22 H N N 220 
ILE   HG23 H N N 221 
ILE   HD11 H N N 222 
ILE   HD12 H N N 223 
ILE   HD13 H N N 224 
ILE   HXT  H N N 225 
LEU   N    N N N 226 
LEU   CA   C N S 227 
LEU   C    C N N 228 
LEU   O    O N N 229 
LEU   CB   C N N 230 
LEU   CG   C N N 231 
LEU   CD1  C N N 232 
LEU   CD2  C N N 233 
LEU   OXT  O N N 234 
LEU   H    H N N 235 
LEU   H2   H N N 236 
LEU   HA   H N N 237 
LEU   HB2  H N N 238 
LEU   HB3  H N N 239 
LEU   HG   H N N 240 
LEU   HD11 H N N 241 
LEU   HD12 H N N 242 
LEU   HD13 H N N 243 
LEU   HD21 H N N 244 
LEU   HD22 H N N 245 
LEU   HD23 H N N 246 
LEU   HXT  H N N 247 
LYS   N    N N N 248 
LYS   CA   C N S 249 
LYS   C    C N N 250 
LYS   O    O N N 251 
LYS   CB   C N N 252 
LYS   CG   C N N 253 
LYS   CD   C N N 254 
LYS   CE   C N N 255 
LYS   NZ   N N N 256 
LYS   OXT  O N N 257 
LYS   H    H N N 258 
LYS   H2   H N N 259 
LYS   HA   H N N 260 
LYS   HB2  H N N 261 
LYS   HB3  H N N 262 
LYS   HG2  H N N 263 
LYS   HG3  H N N 264 
LYS   HD2  H N N 265 
LYS   HD3  H N N 266 
LYS   HE2  H N N 267 
LYS   HE3  H N N 268 
LYS   HZ1  H N N 269 
LYS   HZ2  H N N 270 
LYS   HZ3  H N N 271 
LYS   HXT  H N N 272 
MET   N    N N N 273 
MET   CA   C N S 274 
MET   C    C N N 275 
MET   O    O N N 276 
MET   CB   C N N 277 
MET   CG   C N N 278 
MET   SD   S N N 279 
MET   CE   C N N 280 
MET   OXT  O N N 281 
MET   H    H N N 282 
MET   H2   H N N 283 
MET   HA   H N N 284 
MET   HB2  H N N 285 
MET   HB3  H N N 286 
MET   HG2  H N N 287 
MET   HG3  H N N 288 
MET   HE1  H N N 289 
MET   HE2  H N N 290 
MET   HE3  H N N 291 
MET   HXT  H N N 292 
PHE   N    N N N 293 
PHE   CA   C N S 294 
PHE   C    C N N 295 
PHE   O    O N N 296 
PHE   CB   C N N 297 
PHE   CG   C Y N 298 
PHE   CD1  C Y N 299 
PHE   CD2  C Y N 300 
PHE   CE1  C Y N 301 
PHE   CE2  C Y N 302 
PHE   CZ   C Y N 303 
PHE   OXT  O N N 304 
PHE   H    H N N 305 
PHE   H2   H N N 306 
PHE   HA   H N N 307 
PHE   HB2  H N N 308 
PHE   HB3  H N N 309 
PHE   HD1  H N N 310 
PHE   HD2  H N N 311 
PHE   HE1  H N N 312 
PHE   HE2  H N N 313 
PHE   HZ   H N N 314 
PHE   HXT  H N N 315 
PRO   N    N N N 316 
PRO   CA   C N S 317 
PRO   C    C N N 318 
PRO   O    O N N 319 
PRO   CB   C N N 320 
PRO   CG   C N N 321 
PRO   CD   C N N 322 
PRO   OXT  O N N 323 
PRO   H    H N N 324 
PRO   HA   H N N 325 
PRO   HB2  H N N 326 
PRO   HB3  H N N 327 
PRO   HG2  H N N 328 
PRO   HG3  H N N 329 
PRO   HD2  H N N 330 
PRO   HD3  H N N 331 
PRO   HXT  H N N 332 
SER   N    N N N 333 
SER   CA   C N S 334 
SER   C    C N N 335 
SER   O    O N N 336 
SER   CB   C N N 337 
SER   OG   O N N 338 
SER   OXT  O N N 339 
SER   H    H N N 340 
SER   H2   H N N 341 
SER   HA   H N N 342 
SER   HB2  H N N 343 
SER   HB3  H N N 344 
SER   HG   H N N 345 
SER   HXT  H N N 346 
SO4   S    S N N 347 
SO4   O1   O N N 348 
SO4   O2   O N N 349 
SO4   O3   O N N 350 
SO4   O4   O N N 351 
THR   N    N N N 352 
THR   CA   C N S 353 
THR   C    C N N 354 
THR   O    O N N 355 
THR   CB   C N R 356 
THR   OG1  O N N 357 
THR   CG2  C N N 358 
THR   OXT  O N N 359 
THR   H    H N N 360 
THR   H2   H N N 361 
THR   HA   H N N 362 
THR   HB   H N N 363 
THR   HG1  H N N 364 
THR   HG21 H N N 365 
THR   HG22 H N N 366 
THR   HG23 H N N 367 
THR   HXT  H N N 368 
TRP   N    N N N 369 
TRP   CA   C N S 370 
TRP   C    C N N 371 
TRP   O    O N N 372 
TRP   CB   C N N 373 
TRP   CG   C Y N 374 
TRP   CD1  C Y N 375 
TRP   CD2  C Y N 376 
TRP   NE1  N Y N 377 
TRP   CE2  C Y N 378 
TRP   CE3  C Y N 379 
TRP   CZ2  C Y N 380 
TRP   CZ3  C Y N 381 
TRP   CH2  C Y N 382 
TRP   OXT  O N N 383 
TRP   H    H N N 384 
TRP   H2   H N N 385 
TRP   HA   H N N 386 
TRP   HB2  H N N 387 
TRP   HB3  H N N 388 
TRP   HD1  H N N 389 
TRP   HE1  H N N 390 
TRP   HE3  H N N 391 
TRP   HZ2  H N N 392 
TRP   HZ3  H N N 393 
TRP   HH2  H N N 394 
TRP   HXT  H N N 395 
TYR   N    N N N 396 
TYR   CA   C N S 397 
TYR   C    C N N 398 
TYR   O    O N N 399 
TYR   CB   C N N 400 
TYR   CG   C Y N 401 
TYR   CD1  C Y N 402 
TYR   CD2  C Y N 403 
TYR   CE1  C Y N 404 
TYR   CE2  C Y N 405 
TYR   CZ   C Y N 406 
TYR   OH   O N N 407 
TYR   OXT  O N N 408 
TYR   H    H N N 409 
TYR   H2   H N N 410 
TYR   HA   H N N 411 
TYR   HB2  H N N 412 
TYR   HB3  H N N 413 
TYR   HD1  H N N 414 
TYR   HD2  H N N 415 
TYR   HE1  H N N 416 
TYR   HE2  H N N 417 
TYR   HH   H N N 418 
TYR   HXT  H N N 419 
VAL   N    N N N 420 
VAL   CA   C N S 421 
VAL   C    C N N 422 
VAL   O    O N N 423 
VAL   CB   C N N 424 
VAL   CG1  C N N 425 
VAL   CG2  C N N 426 
VAL   OXT  O N N 427 
VAL   H    H N N 428 
VAL   H2   H N N 429 
VAL   HA   H N N 430 
VAL   HB   H N N 431 
VAL   HG11 H N N 432 
VAL   HG12 H N N 433 
VAL   HG13 H N N 434 
VAL   HG21 H N N 435 
VAL   HG22 H N N 436 
VAL   HG23 H N N 437 
VAL   HXT  H N N 438 
# 
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 
A1A3S C   N    sing N N 1   
A1A3S C1  N    sing N N 2   
A1A3S C2  C1   sing N N 3   
A1A3S O   C2   doub N N 4   
A1A3S N1  C2   sing N N 5   
A1A3S N1  C3   sing N N 6   
A1A3S C3  C4   sing N N 7   
A1A3S C4  C5   sing N N 8   
A1A3S C5  C6   sing N N 9   
A1A3S C6  C7   sing N N 10  
A1A3S C7  N1   sing N N 11  
A1A3S N   S    sing N N 12  
A1A3S O1  S    doub N N 13  
A1A3S S   O2   doub N N 14  
A1A3S C8  S    sing N N 15  
A1A3S C4  H7   sing N N 16  
A1A3S C4  H8   sing N N 17  
A1A3S C5  H9   sing N N 18  
A1A3S C5  H10  sing N N 19  
A1A3S C6  H11  sing N N 20  
A1A3S C6  H12  sing N N 21  
A1A3S C7  H13  sing N N 22  
A1A3S C7  H14  sing N N 23  
A1A3S C8  H17  sing N N 24  
A1A3S C8  H15  sing N N 25  
A1A3S C8  H16  sing N N 26  
A1A3S C   H2   sing N N 27  
A1A3S C   H1   sing N N 28  
A1A3S C   H    sing N N 29  
A1A3S C1  H3   sing N N 30  
A1A3S C1  H4   sing N N 31  
A1A3S C3  H5   sing N N 32  
A1A3S C3  H6   sing N N 33  
ALA   N   CA   sing N N 34  
ALA   N   H    sing N N 35  
ALA   N   H2   sing N N 36  
ALA   CA  C    sing N N 37  
ALA   CA  CB   sing N N 38  
ALA   CA  HA   sing N N 39  
ALA   C   O    doub N N 40  
ALA   C   OXT  sing N N 41  
ALA   CB  HB1  sing N N 42  
ALA   CB  HB2  sing N N 43  
ALA   CB  HB3  sing N N 44  
ALA   OXT HXT  sing N N 45  
ARG   N   CA   sing N N 46  
ARG   N   H    sing N N 47  
ARG   N   H2   sing N N 48  
ARG   CA  C    sing N N 49  
ARG   CA  CB   sing N N 50  
ARG   CA  HA   sing N N 51  
ARG   C   O    doub N N 52  
ARG   C   OXT  sing N N 53  
ARG   CB  CG   sing N N 54  
ARG   CB  HB2  sing N N 55  
ARG   CB  HB3  sing N N 56  
ARG   CG  CD   sing N N 57  
ARG   CG  HG2  sing N N 58  
ARG   CG  HG3  sing N N 59  
ARG   CD  NE   sing N N 60  
ARG   CD  HD2  sing N N 61  
ARG   CD  HD3  sing N N 62  
ARG   NE  CZ   sing N N 63  
ARG   NE  HE   sing N N 64  
ARG   CZ  NH1  sing N N 65  
ARG   CZ  NH2  doub N N 66  
ARG   NH1 HH11 sing N N 67  
ARG   NH1 HH12 sing N N 68  
ARG   NH2 HH21 sing N N 69  
ARG   NH2 HH22 sing N N 70  
ARG   OXT HXT  sing N N 71  
ASN   N   CA   sing N N 72  
ASN   N   H    sing N N 73  
ASN   N   H2   sing N N 74  
ASN   CA  C    sing N N 75  
ASN   CA  CB   sing N N 76  
ASN   CA  HA   sing N N 77  
ASN   C   O    doub N N 78  
ASN   C   OXT  sing N N 79  
ASN   CB  CG   sing N N 80  
ASN   CB  HB2  sing N N 81  
ASN   CB  HB3  sing N N 82  
ASN   CG  OD1  doub N N 83  
ASN   CG  ND2  sing N N 84  
ASN   ND2 HD21 sing N N 85  
ASN   ND2 HD22 sing N N 86  
ASN   OXT HXT  sing N N 87  
ASP   N   CA   sing N N 88  
ASP   N   H    sing N N 89  
ASP   N   H2   sing N N 90  
ASP   CA  C    sing N N 91  
ASP   CA  CB   sing N N 92  
ASP   CA  HA   sing N N 93  
ASP   C   O    doub N N 94  
ASP   C   OXT  sing N N 95  
ASP   CB  CG   sing N N 96  
ASP   CB  HB2  sing N N 97  
ASP   CB  HB3  sing N N 98  
ASP   CG  OD1  doub N N 99  
ASP   CG  OD2  sing N N 100 
ASP   OD2 HD2  sing N N 101 
ASP   OXT HXT  sing N N 102 
CYS   N   CA   sing N N 103 
CYS   N   H    sing N N 104 
CYS   N   H2   sing N N 105 
CYS   CA  C    sing N N 106 
CYS   CA  CB   sing N N 107 
CYS   CA  HA   sing N N 108 
CYS   C   O    doub N N 109 
CYS   C   OXT  sing N N 110 
CYS   CB  SG   sing N N 111 
CYS   CB  HB2  sing N N 112 
CYS   CB  HB3  sing N N 113 
CYS   SG  HG   sing N N 114 
CYS   OXT HXT  sing N N 115 
EDO   C1  O1   sing N N 116 
EDO   C1  C2   sing N N 117 
EDO   C1  H11  sing N N 118 
EDO   C1  H12  sing N N 119 
EDO   O1  HO1  sing N N 120 
EDO   C2  O2   sing N N 121 
EDO   C2  H21  sing N N 122 
EDO   C2  H22  sing N N 123 
EDO   O2  HO2  sing N N 124 
GLN   N   CA   sing N N 125 
GLN   N   H    sing N N 126 
GLN   N   H2   sing N N 127 
GLN   CA  C    sing N N 128 
GLN   CA  CB   sing N N 129 
GLN   CA  HA   sing N N 130 
GLN   C   O    doub N N 131 
GLN   C   OXT  sing N N 132 
GLN   CB  CG   sing N N 133 
GLN   CB  HB2  sing N N 134 
GLN   CB  HB3  sing N N 135 
GLN   CG  CD   sing N N 136 
GLN   CG  HG2  sing N N 137 
GLN   CG  HG3  sing N N 138 
GLN   CD  OE1  doub N N 139 
GLN   CD  NE2  sing N N 140 
GLN   NE2 HE21 sing N N 141 
GLN   NE2 HE22 sing N N 142 
GLN   OXT HXT  sing N N 143 
GLU   N   CA   sing N N 144 
GLU   N   H    sing N N 145 
GLU   N   H2   sing N N 146 
GLU   CA  C    sing N N 147 
GLU   CA  CB   sing N N 148 
GLU   CA  HA   sing N N 149 
GLU   C   O    doub N N 150 
GLU   C   OXT  sing N N 151 
GLU   CB  CG   sing N N 152 
GLU   CB  HB2  sing N N 153 
GLU   CB  HB3  sing N N 154 
GLU   CG  CD   sing N N 155 
GLU   CG  HG2  sing N N 156 
GLU   CG  HG3  sing N N 157 
GLU   CD  OE1  doub N N 158 
GLU   CD  OE2  sing N N 159 
GLU   OE2 HE2  sing N N 160 
GLU   OXT HXT  sing N N 161 
GLY   N   CA   sing N N 162 
GLY   N   H    sing N N 163 
GLY   N   H2   sing N N 164 
GLY   CA  C    sing N N 165 
GLY   CA  HA2  sing N N 166 
GLY   CA  HA3  sing N N 167 
GLY   C   O    doub N N 168 
GLY   C   OXT  sing N N 169 
GLY   OXT HXT  sing N N 170 
HIS   N   CA   sing N N 171 
HIS   N   H    sing N N 172 
HIS   N   H2   sing N N 173 
HIS   CA  C    sing N N 174 
HIS   CA  CB   sing N N 175 
HIS   CA  HA   sing N N 176 
HIS   C   O    doub N N 177 
HIS   C   OXT  sing N N 178 
HIS   CB  CG   sing N N 179 
HIS   CB  HB2  sing N N 180 
HIS   CB  HB3  sing N N 181 
HIS   CG  ND1  sing Y N 182 
HIS   CG  CD2  doub Y N 183 
HIS   ND1 CE1  doub Y N 184 
HIS   ND1 HD1  sing N N 185 
HIS   CD2 NE2  sing Y N 186 
HIS   CD2 HD2  sing N N 187 
HIS   CE1 NE2  sing Y N 188 
HIS   CE1 HE1  sing N N 189 
HIS   NE2 HE2  sing N N 190 
HIS   OXT HXT  sing N N 191 
HOH   O   H1   sing N N 192 
HOH   O   H2   sing N N 193 
ILE   N   CA   sing N N 194 
ILE   N   H    sing N N 195 
ILE   N   H2   sing N N 196 
ILE   CA  C    sing N N 197 
ILE   CA  CB   sing N N 198 
ILE   CA  HA   sing N N 199 
ILE   C   O    doub N N 200 
ILE   C   OXT  sing N N 201 
ILE   CB  CG1  sing N N 202 
ILE   CB  CG2  sing N N 203 
ILE   CB  HB   sing N N 204 
ILE   CG1 CD1  sing N N 205 
ILE   CG1 HG12 sing N N 206 
ILE   CG1 HG13 sing N N 207 
ILE   CG2 HG21 sing N N 208 
ILE   CG2 HG22 sing N N 209 
ILE   CG2 HG23 sing N N 210 
ILE   CD1 HD11 sing N N 211 
ILE   CD1 HD12 sing N N 212 
ILE   CD1 HD13 sing N N 213 
ILE   OXT HXT  sing N N 214 
LEU   N   CA   sing N N 215 
LEU   N   H    sing N N 216 
LEU   N   H2   sing N N 217 
LEU   CA  C    sing N N 218 
LEU   CA  CB   sing N N 219 
LEU   CA  HA   sing N N 220 
LEU   C   O    doub N N 221 
LEU   C   OXT  sing N N 222 
LEU   CB  CG   sing N N 223 
LEU   CB  HB2  sing N N 224 
LEU   CB  HB3  sing N N 225 
LEU   CG  CD1  sing N N 226 
LEU   CG  CD2  sing N N 227 
LEU   CG  HG   sing N N 228 
LEU   CD1 HD11 sing N N 229 
LEU   CD1 HD12 sing N N 230 
LEU   CD1 HD13 sing N N 231 
LEU   CD2 HD21 sing N N 232 
LEU   CD2 HD22 sing N N 233 
LEU   CD2 HD23 sing N N 234 
LEU   OXT HXT  sing N N 235 
LYS   N   CA   sing N N 236 
LYS   N   H    sing N N 237 
LYS   N   H2   sing N N 238 
LYS   CA  C    sing N N 239 
LYS   CA  CB   sing N N 240 
LYS   CA  HA   sing N N 241 
LYS   C   O    doub N N 242 
LYS   C   OXT  sing N N 243 
LYS   CB  CG   sing N N 244 
LYS   CB  HB2  sing N N 245 
LYS   CB  HB3  sing N N 246 
LYS   CG  CD   sing N N 247 
LYS   CG  HG2  sing N N 248 
LYS   CG  HG3  sing N N 249 
LYS   CD  CE   sing N N 250 
LYS   CD  HD2  sing N N 251 
LYS   CD  HD3  sing N N 252 
LYS   CE  NZ   sing N N 253 
LYS   CE  HE2  sing N N 254 
LYS   CE  HE3  sing N N 255 
LYS   NZ  HZ1  sing N N 256 
LYS   NZ  HZ2  sing N N 257 
LYS   NZ  HZ3  sing N N 258 
LYS   OXT HXT  sing N N 259 
MET   N   CA   sing N N 260 
MET   N   H    sing N N 261 
MET   N   H2   sing N N 262 
MET   CA  C    sing N N 263 
MET   CA  CB   sing N N 264 
MET   CA  HA   sing N N 265 
MET   C   O    doub N N 266 
MET   C   OXT  sing N N 267 
MET   CB  CG   sing N N 268 
MET   CB  HB2  sing N N 269 
MET   CB  HB3  sing N N 270 
MET   CG  SD   sing N N 271 
MET   CG  HG2  sing N N 272 
MET   CG  HG3  sing N N 273 
MET   SD  CE   sing N N 274 
MET   CE  HE1  sing N N 275 
MET   CE  HE2  sing N N 276 
MET   CE  HE3  sing N N 277 
MET   OXT HXT  sing N N 278 
PHE   N   CA   sing N N 279 
PHE   N   H    sing N N 280 
PHE   N   H2   sing N N 281 
PHE   CA  C    sing N N 282 
PHE   CA  CB   sing N N 283 
PHE   CA  HA   sing N N 284 
PHE   C   O    doub N N 285 
PHE   C   OXT  sing N N 286 
PHE   CB  CG   sing N N 287 
PHE   CB  HB2  sing N N 288 
PHE   CB  HB3  sing N N 289 
PHE   CG  CD1  doub Y N 290 
PHE   CG  CD2  sing Y N 291 
PHE   CD1 CE1  sing Y N 292 
PHE   CD1 HD1  sing N N 293 
PHE   CD2 CE2  doub Y N 294 
PHE   CD2 HD2  sing N N 295 
PHE   CE1 CZ   doub Y N 296 
PHE   CE1 HE1  sing N N 297 
PHE   CE2 CZ   sing Y N 298 
PHE   CE2 HE2  sing N N 299 
PHE   CZ  HZ   sing N N 300 
PHE   OXT HXT  sing N N 301 
PRO   N   CA   sing N N 302 
PRO   N   CD   sing N N 303 
PRO   N   H    sing N N 304 
PRO   CA  C    sing N N 305 
PRO   CA  CB   sing N N 306 
PRO   CA  HA   sing N N 307 
PRO   C   O    doub N N 308 
PRO   C   OXT  sing N N 309 
PRO   CB  CG   sing N N 310 
PRO   CB  HB2  sing N N 311 
PRO   CB  HB3  sing N N 312 
PRO   CG  CD   sing N N 313 
PRO   CG  HG2  sing N N 314 
PRO   CG  HG3  sing N N 315 
PRO   CD  HD2  sing N N 316 
PRO   CD  HD3  sing N N 317 
PRO   OXT HXT  sing N N 318 
SER   N   CA   sing N N 319 
SER   N   H    sing N N 320 
SER   N   H2   sing N N 321 
SER   CA  C    sing N N 322 
SER   CA  CB   sing N N 323 
SER   CA  HA   sing N N 324 
SER   C   O    doub N N 325 
SER   C   OXT  sing N N 326 
SER   CB  OG   sing N N 327 
SER   CB  HB2  sing N N 328 
SER   CB  HB3  sing N N 329 
SER   OG  HG   sing N N 330 
SER   OXT HXT  sing N N 331 
SO4   S   O1   doub N N 332 
SO4   S   O2   doub N N 333 
SO4   S   O3   sing N N 334 
SO4   S   O4   sing N N 335 
THR   N   CA   sing N N 336 
THR   N   H    sing N N 337 
THR   N   H2   sing N N 338 
THR   CA  C    sing N N 339 
THR   CA  CB   sing N N 340 
THR   CA  HA   sing N N 341 
THR   C   O    doub N N 342 
THR   C   OXT  sing N N 343 
THR   CB  OG1  sing N N 344 
THR   CB  CG2  sing N N 345 
THR   CB  HB   sing N N 346 
THR   OG1 HG1  sing N N 347 
THR   CG2 HG21 sing N N 348 
THR   CG2 HG22 sing N N 349 
THR   CG2 HG23 sing N N 350 
THR   OXT HXT  sing N N 351 
TRP   N   CA   sing N N 352 
TRP   N   H    sing N N 353 
TRP   N   H2   sing N N 354 
TRP   CA  C    sing N N 355 
TRP   CA  CB   sing N N 356 
TRP   CA  HA   sing N N 357 
TRP   C   O    doub N N 358 
TRP   C   OXT  sing N N 359 
TRP   CB  CG   sing N N 360 
TRP   CB  HB2  sing N N 361 
TRP   CB  HB3  sing N N 362 
TRP   CG  CD1  doub Y N 363 
TRP   CG  CD2  sing Y N 364 
TRP   CD1 NE1  sing Y N 365 
TRP   CD1 HD1  sing N N 366 
TRP   CD2 CE2  doub Y N 367 
TRP   CD2 CE3  sing Y N 368 
TRP   NE1 CE2  sing Y N 369 
TRP   NE1 HE1  sing N N 370 
TRP   CE2 CZ2  sing Y N 371 
TRP   CE3 CZ3  doub Y N 372 
TRP   CE3 HE3  sing N N 373 
TRP   CZ2 CH2  doub Y N 374 
TRP   CZ2 HZ2  sing N N 375 
TRP   CZ3 CH2  sing Y N 376 
TRP   CZ3 HZ3  sing N N 377 
TRP   CH2 HH2  sing N N 378 
TRP   OXT HXT  sing N N 379 
TYR   N   CA   sing N N 380 
TYR   N   H    sing N N 381 
TYR   N   H2   sing N N 382 
TYR   CA  C    sing N N 383 
TYR   CA  CB   sing N N 384 
TYR   CA  HA   sing N N 385 
TYR   C   O    doub N N 386 
TYR   C   OXT  sing N N 387 
TYR   CB  CG   sing N N 388 
TYR   CB  HB2  sing N N 389 
TYR   CB  HB3  sing N N 390 
TYR   CG  CD1  doub Y N 391 
TYR   CG  CD2  sing Y N 392 
TYR   CD1 CE1  sing Y N 393 
TYR   CD1 HD1  sing N N 394 
TYR   CD2 CE2  doub Y N 395 
TYR   CD2 HD2  sing N N 396 
TYR   CE1 CZ   doub Y N 397 
TYR   CE1 HE1  sing N N 398 
TYR   CE2 CZ   sing Y N 399 
TYR   CE2 HE2  sing N N 400 
TYR   CZ  OH   sing N N 401 
TYR   OH  HH   sing N N 402 
TYR   OXT HXT  sing N N 403 
VAL   N   CA   sing N N 404 
VAL   N   H    sing N N 405 
VAL   N   H2   sing N N 406 
VAL   CA  C    sing N N 407 
VAL   CA  CB   sing N N 408 
VAL   CA  HA   sing N N 409 
VAL   C   O    doub N N 410 
VAL   C   OXT  sing N N 411 
VAL   CB  CG1  sing N N 412 
VAL   CB  CG2  sing N N 413 
VAL   CB  HB   sing N N 414 
VAL   CG1 HG11 sing N N 415 
VAL   CG1 HG12 sing N N 416 
VAL   CG1 HG13 sing N N 417 
VAL   CG2 HG21 sing N N 418 
VAL   CG2 HG22 sing N N 419 
VAL   CG2 HG23 sing N N 420 
VAL   OXT HXT  sing N N 421 
# 
_pdbx_audit_support.ordinal                1 
_pdbx_audit_support.funding_organization   'European Union (EU)' 
_pdbx_audit_support.grant_number           875510 
_pdbx_audit_support.country                'European Union' 
# 
_pdbx_deposit_group.group_id            G_1002320 
_pdbx_deposit_group.group_description   
;PRYSPRY domain of murine TRIM21 screened against the DSI-poised Fragment Library by X-ray Crystallography at the XChem facility of Diamon Light Source
;
_pdbx_deposit_group.group_title         'PanDDA analysis group deposition' 
_pdbx_deposit_group.group_type          'changed state' 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   2VOK 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    7HO0 
_atom_sites.fract_transf_matrix[1][1]   0.010483 
_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]   0.010483 
_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]   0.021875 
_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   ? -13.284 -12.783 -9.822  1.00 54.71 ? 8   HIS   B N   1 
ATOM   2    C CA  . HIS   A 1 2   ? -12.815 -13.406 -11.107 1.00 49.58 ? 8   HIS   B CA  1 
ATOM   3    C C   . HIS   A 1 2   ? -11.701 -12.551 -11.728 1.00 49.60 ? 8   HIS   B C   1 
ATOM   4    O O   . HIS   A 1 2   ? -11.601 -11.343 -11.388 1.00 53.78 ? 8   HIS   B O   1 
ATOM   5    C CB  . HIS   A 1 2   ? -13.992 -13.617 -12.082 1.00 43.50 ? 8   HIS   B CB  1 
ATOM   6    C CG  . HIS   A 1 2   ? -14.507 -12.371 -12.733 1.00 38.83 ? 8   HIS   B CG  1 
ATOM   7    N ND1 . HIS   A 1 2   ? -13.901 -11.813 -13.846 1.00 37.08 ? 8   HIS   B ND1 1 
ATOM   8    C CD2 . HIS   A 1 2   ? -15.570 -11.583 -12.450 1.00 36.82 ? 8   HIS   B CD2 1 
ATOM   9    C CE1 . HIS   A 1 2   ? -14.561 -10.726 -14.207 1.00 36.55 ? 8   HIS   B CE1 1 
ATOM   10   N NE2 . HIS   A 1 2   ? -15.592 -10.554 -13.364 1.00 30.80 ? 8   HIS   B NE2 1 
ATOM   11   N N   . HIS   A 1 3   ? -10.928 -13.147 -12.635 1.00 44.41 ? 9   HIS   B N   1 
ATOM   12   C CA  . HIS   A 1 3   ? -9.791  -12.512 -13.356 1.00 43.10 ? 9   HIS   B CA  1 
ATOM   13   C C   . HIS   A 1 3   ? -9.979  -12.658 -14.877 1.00 38.25 ? 9   HIS   B C   1 
ATOM   14   O O   . HIS   A 1 3   ? -8.970  -12.869 -15.570 1.00 38.21 ? 9   HIS   B O   1 
ATOM   15   C CB  . HIS   A 1 3   ? -8.476  -13.103 -12.808 1.00 50.64 ? 9   HIS   B CB  1 
ATOM   16   C CG  . HIS   A 1 3   ? -8.319  -12.894 -11.333 1.00 57.97 ? 9   HIS   B CG  1 
ATOM   17   N ND1 . HIS   A 1 3   ? -8.000  -11.658 -10.785 1.00 60.23 ? 9   HIS   B ND1 1 
ATOM   18   C CD2 . HIS   A 1 3   ? -8.472  -13.737 -10.286 1.00 63.52 ? 9   HIS   B CD2 1 
ATOM   19   C CE1 . HIS   A 1 3   ? -7.952  -11.754 -9.471  1.00 61.96 ? 9   HIS   B CE1 1 
ATOM   20   N NE2 . HIS   A 1 3   ? -8.231  -13.023 -9.139  1.00 64.48 ? 9   HIS   B NE2 1 
ATOM   21   N N   . HIS   A 1 4   ? -11.222 -12.503 -15.379 1.00 31.56 ? 10  HIS   B N   1 
ATOM   22   C CA  . HIS   A 1 4   ? -11.626 -12.695 -16.804 1.00 26.31 ? 10  HIS   B CA  1 
ATOM   23   C C   . HIS   A 1 4   ? -11.601 -11.357 -17.550 1.00 25.81 ? 10  HIS   B C   1 
ATOM   24   O O   . HIS   A 1 4   ? -11.751 -11.350 -18.771 1.00 22.09 ? 10  HIS   B O   1 
ATOM   25   C CB  . HIS   A 1 4   ? -13.034 -13.325 -16.917 1.00 25.37 ? 10  HIS   B CB  1 
ATOM   26   C CG  . HIS   A 1 4   ? -13.158 -14.678 -16.313 1.00 26.66 ? 10  HIS   B CG  1 
ATOM   27   N ND1 . HIS   A 1 4   ? -12.266 -15.702 -16.602 1.00 25.87 ? 10  HIS   B ND1 1 
ATOM   28   C CD2 . HIS   A 1 4   ? -14.089 -15.209 -15.490 1.00 25.80 ? 10  HIS   B CD2 1 
ATOM   29   C CE1 . HIS   A 1 4   ? -12.625 -16.787 -15.942 1.00 29.80 ? 10  HIS   B CE1 1 
ATOM   30   N NE2 . HIS   A 1 4   ? -13.742 -16.510 -15.269 1.00 29.81 ? 10  HIS   B NE2 1 
ATOM   31   N N   . HIS   A 1 5   ? -11.384 -10.249 -16.846 1.00 27.84 ? 11  HIS   B N   1 
ATOM   32   C CA  . HIS   A 1 5   ? -11.510 -8.874  -17.396 1.00 28.67 ? 11  HIS   B CA  1 
ATOM   33   C C   . HIS   A 1 5   ? -10.637 -8.677  -18.642 1.00 26.15 ? 11  HIS   B C   1 
ATOM   34   O O   . HIS   A 1 5   ? -11.101 -7.976  -19.550 1.00 27.87 ? 11  HIS   B O   1 
ATOM   35   C CB  . HIS   A 1 5   ? -11.194 -7.809  -16.325 1.00 34.45 ? 11  HIS   B CB  1 
ATOM   36   C CG  . HIS   A 1 5   ? -12.057 -7.913  -15.116 1.00 40.46 ? 11  HIS   B CG  1 
ATOM   37   N ND1 . HIS   A 1 5   ? -11.680 -8.653  -13.999 1.00 45.83 ? 11  HIS   B ND1 1 
ATOM   38   C CD2 . HIS   A 1 5   ? -13.278 -7.397  -14.838 1.00 43.65 ? 11  HIS   B CD2 1 
ATOM   39   C CE1 . HIS   A 1 5   ? -12.630 -8.578  -13.081 1.00 45.12 ? 11  HIS   B CE1 1 
ATOM   40   N NE2 . HIS   A 1 5   ? -13.629 -7.821  -13.576 1.00 44.72 ? 11  HIS   B NE2 1 
ATOM   41   N N   . HIS   A 1 6   ? -9.445  -9.289  -18.723 1.00 25.67 ? 12  HIS   B N   1 
ATOM   42   C CA  . HIS   A 1 6   ? -8.493  -9.123  -19.858 1.00 26.18 ? 12  HIS   B CA  1 
ATOM   43   C C   . HIS   A 1 6   ? -8.994  -9.769  -21.157 1.00 24.26 ? 12  HIS   B C   1 
ATOM   44   O O   . HIS   A 1 6   ? -8.381  -9.510  -22.190 1.00 26.67 ? 12  HIS   B O   1 
ATOM   45   C CB  . HIS   A 1 6   ? -7.098  -9.645  -19.478 1.00 31.61 ? 12  HIS   B CB  1 
ATOM   46   C CG  . HIS   A 1 6   ? -7.079  -11.084 -19.098 1.00 30.67 ? 12  HIS   B CG  1 
ATOM   47   N ND1 . HIS   A 1 6   ? -6.468  -12.052 -19.882 1.00 35.79 ? 12  HIS   B ND1 1 
ATOM   48   C CD2 . HIS   A 1 6   ? -7.576  -11.726 -18.019 1.00 31.07 ? 12  HIS   B CD2 1 
ATOM   49   C CE1 . HIS   A 1 6   ? -6.596  -13.226 -19.306 1.00 29.92 ? 12  HIS   B CE1 1 
ATOM   50   N NE2 . HIS   A 1 6   ? -7.276  -13.060 -18.162 1.00 35.21 ? 12  HIS   B NE2 1 
ATOM   51   N N   . HIS   A 1 7   ? -10.060 -10.587 -21.140 1.00 20.16 ? 13  HIS   B N   1 
ATOM   52   C CA  . HIS   A 1 7   ? -10.737 -11.122 -22.359 1.00 17.80 ? 13  HIS   B CA  1 
ATOM   53   C C   . HIS   A 1 7   ? -11.829 -10.176 -22.837 1.00 15.50 ? 13  HIS   B C   1 
ATOM   54   O O   . HIS   A 1 7   ? -12.632 -10.621 -23.655 1.00 14.43 ? 13  HIS   B O   1 
ATOM   55   C CB  . HIS   A 1 7   ? -11.288 -12.500 -22.074 1.00 16.41 ? 13  HIS   B CB  1 
ATOM   56   C CG  . HIS   A 1 7   ? -10.220 -13.469 -21.677 1.00 17.35 ? 13  HIS   B CG  1 
ATOM   57   N ND1 . HIS   A 1 7   ? -9.191  -13.801 -22.543 1.00 18.06 ? 13  HIS   B ND1 1 
ATOM   58   C CD2 . HIS   A 1 7   ? -10.051 -14.167 -20.540 1.00 19.07 ? 13  HIS   B CD2 1 
ATOM   59   C CE1 . HIS   A 1 7   ? -8.401  -14.660 -21.928 1.00 19.34 ? 13  HIS   B CE1 1 
ATOM   60   N NE2 . HIS   A 1 7   ? -8.899  -14.918 -20.711 1.00 20.31 ? 13  HIS   B NE2 1 
ATOM   61   N N   . MET   A 1 8   ? -11.873 -8.951  -22.324 1.00 16.20 ? 14  MET   B N   1 
ATOM   62   C CA  . MET   A 1 8   ? -12.921 -7.959  -22.680 1.00 18.52 ? 14  MET   B CA  1 
ATOM   63   C C   . MET   A 1 8   ? -13.023 -7.830  -24.194 1.00 18.03 ? 14  MET   B C   1 
ATOM   64   O O   . MET   A 1 8   ? -11.976 -7.673  -24.905 1.00 21.28 ? 14  MET   B O   1 
ATOM   65   C CB  . MET   A 1 8   ? -12.587 -6.583  -22.096 1.00 22.85 ? 14  MET   B CB  1 
ATOM   66   C CG  . MET   A 1 8   ? -13.627 -5.492  -22.357 1.00 28.73 ? 14  MET   B CG  1 
ATOM   67   S SD  . MET   A 1 8   ? -15.219 -5.733  -21.477 1.00 39.07 ? 14  MET   B SD  1 
ATOM   68   C CE  . MET   A 1 8   ? -14.800 -5.081  -19.864 1.00 34.30 ? 14  MET   B CE  1 
ATOM   69   N N   . VAL   A 1 9   ? -14.234 -7.822  -24.716 1.00 15.60 ? 15  VAL   B N   1 
ATOM   70   C CA  . VAL   A 1 9   ? -14.523 -7.583  -26.148 1.00 15.89 ? 15  VAL   B CA  1 
ATOM   71   C C   . VAL   A 1 9   ? -15.511 -6.406  -26.239 1.00 16.06 ? 15  VAL   B C   1 
ATOM   72   O O   . VAL   A 1 9   ? -16.370 -6.258  -25.370 1.00 16.35 ? 15  VAL   B O   1 
ATOM   73   C CB  . VAL   A 1 9   ? -15.035 -8.842  -26.880 1.00 17.18 ? 15  VAL   B CB  1 
ATOM   74   C CG1 . VAL   A 1 9   ? -13.942 -9.885  -27.042 1.00 20.88 ? 15  VAL   B CG1 1 
ATOM   75   C CG2 . VAL   A 1 9   ? -16.248 -9.492  -26.231 1.00 18.07 ? 15  VAL   B CG2 1 
ATOM   76   N N   . HIS   A 1 10  ? -15.422 -5.630  -27.311 1.00 16.38 ? 16  HIS   B N   1 
ATOM   77   C CA  . HIS   A 1 10  ? -16.309 -4.476  -27.573 1.00 16.36 ? 16  HIS   B CA  1 
ATOM   78   C C   . HIS   A 1 10  ? -17.530 -4.979  -28.332 1.00 16.55 ? 16  HIS   B C   1 
ATOM   79   O O   . HIS   A 1 10  ? -17.428 -5.301  -29.503 1.00 20.66 ? 16  HIS   B O   1 
ATOM   80   C CB  . HIS   A 1 10  ? -15.562 -3.392  -28.350 1.00 17.97 ? 16  HIS   B CB  1 
ATOM   81   C CG  . HIS   A 1 10  ? -16.320 -2.117  -28.503 1.00 21.57 ? 16  HIS   B CG  1 
ATOM   82   N ND1 . HIS   A 1 10  ? -16.410 -1.193  -27.489 1.00 24.98 ? 16  HIS   B ND1 1 
ATOM   83   C CD2 . HIS   A 1 10  ? -17.049 -1.650  -29.535 1.00 24.66 ? 16  HIS   B CD2 1 
ATOM   84   C CE1 . HIS   A 1 10  ? -17.148 -0.173  -27.906 1.00 22.57 ? 16  HIS   B CE1 1 
ATOM   85   N NE2 . HIS   A 1 10  ? -17.550 -0.439  -29.159 1.00 26.55 ? 16  HIS   B NE2 1 
ATOM   86   N N   . ILE   A 1 11  ? -18.649 -5.122  -27.633 1.00 13.78 ? 17  ILE   B N   1 
ATOM   87   C CA  . ILE   A 1 11  ? -19.900 -5.593  -28.258 1.00 13.47 ? 17  ILE   B CA  1 
ATOM   88   C C   . ILE   A 1 11  ? -20.698 -4.384  -28.783 1.00 13.48 ? 17  ILE   B C   1 
ATOM   89   O O   . ILE   A 1 11  ? -20.748 -3.376  -28.121 1.00 13.29 ? 17  ILE   B O   1 
ATOM   90   C CB  . ILE   A 1 11  ? -20.717 -6.398  -27.232 1.00 13.34 ? 17  ILE   B CB  1 
ATOM   91   C CG1 . ILE   A 1 11  ? -19.936 -7.619  -26.720 1.00 14.89 ? 17  ILE   B CG1 1 
ATOM   92   C CG2 . ILE   A 1 11  ? -22.066 -6.808  -27.832 1.00 13.22 ? 17  ILE   B CG2 1 
ATOM   93   C CD1 . ILE   A 1 11  ? -19.366 -8.511  -27.794 1.00 14.48 ? 17  ILE   B CD1 1 
ATOM   94   N N   . THR   A 1 12  ? -21.294 -4.566  -29.939 1.00 12.83 ? 18  THR   B N   1 
ATOM   95   C CA  . THR   A 1 12  ? -22.276 -3.590  -30.493 1.00 14.41 ? 18  THR   B CA  1 
ATOM   96   C C   . THR   A 1 12  ? -23.545 -4.348  -30.849 1.00 14.34 ? 18  THR   B C   1 
ATOM   97   O O   . THR   A 1 12  ? -23.502 -5.553  -31.177 1.00 14.89 ? 18  THR   B O   1 
ATOM   98   C CB  . THR   A 1 12  ? -21.712 -2.827  -31.690 1.00 16.35 ? 18  THR   B CB  1 
ATOM   99   O OG1 . THR   A 1 12  ? -21.344 -3.721  -32.724 1.00 18.32 ? 18  THR   B OG1 1 
ATOM   100  C CG2 . THR   A 1 12  ? -20.538 -1.938  -31.310 1.00 17.62 ? 18  THR   B CG2 1 
ATOM   101  N N   . LEU   A 1 13  ? -24.682 -3.647  -30.835 1.00 12.48 ? 19  LEU   B N   1 
ATOM   102  C CA  . LEU   A 1 13  ? -25.987 -4.283  -31.126 1.00 12.54 ? 19  LEU   B CA  1 
ATOM   103  C C   . LEU   A 1 13  ? -26.272 -4.271  -32.620 1.00 12.41 ? 19  LEU   B C   1 
ATOM   104  O O   . LEU   A 1 13  ? -25.961 -3.239  -33.292 1.00 14.50 ? 19  LEU   B O   1 
ATOM   105  C CB  . LEU   A 1 13  ? -27.042 -3.518  -30.347 1.00 12.23 ? 19  LEU   B CB  1 
ATOM   106  C CG  . LEU   A 1 13  ? -26.842 -3.606  -28.848 1.00 11.69 ? 19  LEU   B CG  1 
ATOM   107  C CD1 . LEU   A 1 13  ? -27.834 -2.709  -28.120 1.00 14.06 ? 19  LEU   B CD1 1 
ATOM   108  C CD2 . LEU   A 1 13  ? -26.937 -5.054  -28.342 1.00 13.54 ? 19  LEU   B CD2 1 
ATOM   109  N N   . ASP   A 1 14  ? -26.879 -5.313  -33.133 1.00 11.33 ? 20  ASP   B N   1 
ATOM   110  C CA  . ASP   A 1 14  ? -27.243 -5.480  -34.560 1.00 11.97 ? 20  ASP   B CA  1 
ATOM   111  C C   . ASP   A 1 14  ? -28.738 -5.102  -34.720 1.00 12.19 ? 20  ASP   B C   1 
ATOM   112  O O   . ASP   A 1 14  ? -29.610 -5.908  -34.443 1.00 11.82 ? 20  ASP   B O   1 
ATOM   113  C CB  . ASP   A 1 14  ? -26.971 -6.914  -35.033 1.00 12.74 ? 20  ASP   B CB  1 
ATOM   114  C CG  . ASP   A 1 14  ? -27.264 -7.193  -36.489 1.00 15.51 ? 20  ASP   B CG  1 
ATOM   115  O OD1 . ASP   A 1 14  ? -27.900 -6.324  -37.115 1.00 15.77 ? 20  ASP   B OD1 1 
ATOM   116  O OD2 . ASP   A 1 14  ? -26.964 -8.303  -36.994 1.00 16.00 ? 20  ASP   B OD2 1 
ATOM   117  N N   A ARG   A 1 15  ? -28.960 -3.868  -35.204 0.25 13.76 ? 21  ARG   B N   1 
ATOM   118  N N   B ARG   A 1 15  ? -28.985 -3.876  -35.207 0.25 13.91 ? 21  ARG   B N   1 
ATOM   119  C CA  A ARG   A 1 15  ? -30.287 -3.256  -35.499 0.25 14.70 ? 21  ARG   B CA  1 
ATOM   120  C CA  B ARG   A 1 15  ? -30.345 -3.302  -35.414 0.25 14.85 ? 21  ARG   B CA  1 
ATOM   121  C C   A ARG   A 1 15  ? -31.191 -4.208  -36.277 0.25 13.99 ? 21  ARG   B C   1 
ATOM   122  C C   B ARG   A 1 15  ? -31.213 -4.222  -36.276 0.25 14.12 ? 21  ARG   B C   1 
ATOM   123  O O   A ARG   A 1 15  ? -32.413 -4.206  -36.026 0.25 14.15 ? 21  ARG   B O   1 
ATOM   124  O O   B ARG   A 1 15  ? -32.443 -4.245  -36.062 0.25 14.11 ? 21  ARG   B O   1 
ATOM   125  C CB  A ARG   A 1 15  ? -30.114 -1.992  -36.354 0.25 16.48 ? 21  ARG   B CB  1 
ATOM   126  C CB  B ARG   A 1 15  ? -30.261 -1.918  -36.077 0.25 17.15 ? 21  ARG   B CB  1 
ATOM   127  C CG  A ARG   A 1 15  ? -29.255 -0.917  -35.707 0.25 18.59 ? 21  ARG   B CG  1 
ATOM   128  C CG  B ARG   A 1 15  ? -29.872 -0.794  -35.129 0.25 19.15 ? 21  ARG   B CG  1 
ATOM   129  C CD  A ARG   A 1 15  ? -29.194 0.346   -36.553 0.25 19.33 ? 21  ARG   B CD  1 
ATOM   130  C CD  B ARG   A 1 15  ? -28.483 -0.234  -35.397 0.25 21.61 ? 21  ARG   B CD  1 
ATOM   131  N NE  A ARG   A 1 15  ? -28.654 1.441   -35.767 0.25 20.21 ? 21  ARG   B NE  1 
ATOM   132  N NE  B ARG   A 1 15  ? -28.394 0.723   -36.506 0.25 23.17 ? 21  ARG   B NE  1 
ATOM   133  C CZ  A ARG   A 1 15  ? -29.330 2.052   -34.811 0.25 19.83 ? 21  ARG   B CZ  1 
ATOM   134  C CZ  B ARG   A 1 15  ? -27.998 0.437   -37.750 0.25 26.29 ? 21  ARG   B CZ  1 
ATOM   135  N NH1 A ARG   A 1 15  ? -30.574 1.690   -34.570 0.25 21.14 ? 21  ARG   B NH1 1 
ATOM   136  N NH1 B ARG   A 1 15  ? -27.654 -0.792  -38.089 0.25 27.61 ? 21  ARG   B NH1 1 
ATOM   137  N NH2 A ARG   A 1 15  ? -28.771 3.019   -34.110 0.25 20.69 ? 21  ARG   B NH2 1 
ATOM   138  N NH2 B ARG   A 1 15  ? -27.957 1.388   -38.667 0.25 28.18 ? 21  ARG   B NH2 1 
ATOM   139  N N   . ASN   A 1 16  ? -30.624 -4.947  -37.229 1.00 13.57 ? 22  ASN   B N   1 
ATOM   140  C CA  . ASN   A 1 16  ? -31.402 -5.791  -38.143 1.00 15.00 ? 22  ASN   B CA  1 
ATOM   141  C C   . ASN   A 1 16  ? -32.095 -6.933  -37.417 1.00 13.09 ? 22  ASN   B C   1 
ATOM   142  O O   . ASN   A 1 16  ? -33.088 -7.446  -37.904 1.00 12.76 ? 22  ASN   B O   1 
ATOM   143  C CB  . ASN   A 1 16  ? -30.532 -6.277  -39.306 1.00 18.44 ? 22  ASN   B CB  1 
ATOM   144  C CG  . ASN   A 1 16  ? -30.315 -5.186  -40.327 1.00 24.95 ? 22  ASN   B CG  1 
ATOM   145  O OD1 . ASN   A 1 16  ? -31.058 -4.202  -40.362 1.00 31.56 ? 22  ASN   B OD1 1 
ATOM   146  N ND2 . ASN   A 1 16  ? -29.285 -5.344  -41.139 1.00 35.73 ? 22  ASN   B ND2 1 
ATOM   147  N N   . THR   A 1 17  ? -31.557 -7.348  -36.237 1.00 11.37 ? 23  THR   B N   1 
ATOM   148  C CA  . THR   A 1 17  ? -32.107 -8.461  -35.451 1.00 10.93 ? 23  THR   B CA  1 
ATOM   149  C C   . THR   A 1 17  ? -33.139 -7.982  -34.423 1.00 10.29 ? 23  THR   B C   1 
ATOM   150  O O   . THR   A 1 17  ? -33.814 -8.811  -33.824 1.00 10.75 ? 23  THR   B O   1 
ATOM   151  C CB  . THR   A 1 17  ? -31.011 -9.248  -34.714 1.00 11.71 ? 23  THR   B CB  1 
ATOM   152  O OG1 . THR   A 1 17  ? -30.444 -8.438  -33.676 1.00 11.61 ? 23  THR   B OG1 1 
ATOM   153  C CG2 . THR   A 1 17  ? -29.989 -9.809  -35.693 1.00 12.11 ? 23  THR   B CG2 1 
ATOM   154  N N   . ALA   A 1 18  ? -33.217 -6.677  -34.233 1.00 10.61 ? 24  ALA   B N   1 
ATOM   155  C CA  . ALA   A 1 18  ? -34.007 -6.123  -33.110 1.00 10.50 ? 24  ALA   B CA  1 
ATOM   156  C C   . ALA   A 1 18  ? -35.497 -6.317  -33.345 1.00 10.63 ? 24  ALA   B C   1 
ATOM   157  O O   . ALA   A 1 18  ? -35.996 -6.054  -34.476 1.00 12.16 ? 24  ALA   B O   1 
ATOM   158  C CB  . ALA   A 1 18  ? -33.701 -4.673  -32.942 1.00 11.88 ? 24  ALA   B CB  1 
ATOM   159  N N   . ASN   A 1 19  ? -36.253 -6.617  -32.331 1.00 10.56 ? 25  ASN   B N   1 
ATOM   160  C CA  . ASN   A 1 19  ? -37.715 -6.419  -32.361 1.00 10.20 ? 25  ASN   B CA  1 
ATOM   161  C C   . ASN   A 1 19  ? -37.992 -4.979  -32.811 1.00 9.70  ? 25  ASN   B C   1 
ATOM   162  O O   . ASN   A 1 19  ? -37.284 -4.046  -32.493 1.00 10.01 ? 25  ASN   B O   1 
ATOM   163  C CB  . ASN   A 1 19  ? -38.261 -6.709  -30.980 1.00 11.29 ? 25  ASN   B CB  1 
ATOM   164  C CG  . ASN   A 1 19  ? -39.729 -6.417  -30.896 1.00 11.88 ? 25  ASN   B CG  1 
ATOM   165  O OD1 . ASN   A 1 19  ? -40.133 -5.302  -30.587 1.00 12.96 ? 25  ASN   B OD1 1 
ATOM   166  N ND2 . ASN   A 1 19  ? -40.487 -7.395  -31.248 1.00 13.77 ? 25  ASN   B ND2 1 
ATOM   167  N N   . SER   A 1 20  ? -39.093 -4.844  -33.554 1.00 9.54  ? 26  SER   B N   1 
ATOM   168  C CA  . SER   A 1 20  ? -39.456 -3.567  -34.208 1.00 10.03 ? 26  SER   B CA  1 
ATOM   169  C C   . SER   A 1 20  ? -39.842 -2.479  -33.213 1.00 9.60  ? 26  SER   B C   1 
ATOM   170  O O   . SER   A 1 20  ? -39.930 -1.321  -33.685 1.00 11.31 ? 26  SER   B O   1 
ATOM   171  C CB  . SER   A 1 20  ? -40.579 -3.767  -35.191 1.00 11.15 ? 26  SER   B CB  1 
ATOM   172  O OG  . SER   A 1 20  ? -41.702 -4.247  -34.512 1.00 14.26 ? 26  SER   B OG  1 
ATOM   173  N N   . TRP   A 1 21  ? -40.036 -2.742  -31.930 1.00 8.98  ? 27  TRP   B N   1 
ATOM   174  C CA  . TRP   A 1 21  ? -40.329 -1.693  -30.936 1.00 9.67  ? 27  TRP   B CA  1 
ATOM   175  C C   . TRP   A 1 21  ? -39.062 -1.164  -30.250 1.00 10.13 ? 27  TRP   B C   1 
ATOM   176  O O   . TRP   A 1 21  ? -39.163 -0.269  -29.416 1.00 10.78 ? 27  TRP   B O   1 
ATOM   177  C CB  . TRP   A 1 21  ? -41.308 -2.209  -29.923 1.00 10.14 ? 27  TRP   B CB  1 
ATOM   178  C CG  . TRP   A 1 21  ? -42.710 -2.352  -30.444 1.00 10.38 ? 27  TRP   B CG  1 
ATOM   179  C CD1 . TRP   A 1 21  ? -43.123 -2.901  -31.620 1.00 10.47 ? 27  TRP   B CD1 1 
ATOM   180  C CD2 . TRP   A 1 21  ? -43.893 -1.909  -29.782 1.00 11.14 ? 27  TRP   B CD2 1 
ATOM   181  N NE1 . TRP   A 1 21  ? -44.494 -2.828  -31.729 1.00 12.09 ? 27  TRP   B NE1 1 
ATOM   182  C CE2 . TRP   A 1 21  ? -44.987 -2.265  -30.604 1.00 10.87 ? 27  TRP   B CE2 1 
ATOM   183  C CE3 . TRP   A 1 21  ? -44.128 -1.252  -28.579 1.00 12.03 ? 27  TRP   B CE3 1 
ATOM   184  C CZ2 . TRP   A 1 21  ? -46.320 -1.996  -30.234 1.00 13.04 ? 27  TRP   B CZ2 1 
ATOM   185  C CZ3 . TRP   A 1 21  ? -45.448 -1.029  -28.194 1.00 13.97 ? 27  TRP   B CZ3 1 
ATOM   186  C CH2 . TRP   A 1 21  ? -46.506 -1.411  -29.007 1.00 14.09 ? 27  TRP   B CH2 1 
ATOM   187  N N   . LEU   A 1 22  ? -37.883 -1.780  -30.535 1.00 10.23 ? 28  LEU   B N   1 
ATOM   188  C CA  . LEU   A 1 22  ? -36.667 -1.372  -29.796 1.00 10.74 ? 28  LEU   B CA  1 
ATOM   189  C C   . LEU   A 1 22  ? -36.071 -0.110  -30.416 1.00 11.29 ? 28  LEU   B C   1 
ATOM   190  O O   . LEU   A 1 22  ? -36.071 0.062   -31.644 1.00 11.88 ? 28  LEU   B O   1 
ATOM   191  C CB  . LEU   A 1 22  ? -35.640 -2.507  -29.797 1.00 10.13 ? 28  LEU   B CB  1 
ATOM   192  C CG  . LEU   A 1 22  ? -36.073 -3.764  -29.052 1.00 10.56 ? 28  LEU   B CG  1 
ATOM   193  C CD1 . LEU   A 1 22  ? -34.991 -4.834  -29.099 1.00 10.65 ? 28  LEU   B CD1 1 
ATOM   194  C CD2 . LEU   A 1 22  ? -36.439 -3.495  -27.625 1.00 11.55 ? 28  LEU   B CD2 1 
ATOM   195  N N   . ILE   A 1 23  ? -35.426 0.642   -29.563 1.00 11.17 ? 29  ILE   B N   1 
ATOM   196  C CA  . ILE   A 1 23  ? -34.649 1.844   -29.940 1.00 12.88 ? 29  ILE   B CA  1 
ATOM   197  C C   . ILE   A 1 23  ? -33.196 1.612   -29.505 1.00 12.74 ? 29  ILE   B C   1 
ATOM   198  O O   . ILE   A 1 23  ? -32.933 1.510   -28.295 1.00 12.74 ? 29  ILE   B O   1 
ATOM   199  C CB  . ILE   A 1 23  ? -35.221 3.099   -29.289 1.00 13.43 ? 29  ILE   B CB  1 
ATOM   200  C CG1 . ILE   A 1 23  ? -36.688 3.345   -29.696 1.00 13.12 ? 29  ILE   B CG1 1 
ATOM   201  C CG2 . ILE   A 1 23  ? -34.367 4.331   -29.628 1.00 14.58 ? 29  ILE   B CG2 1 
ATOM   202  C CD1 . ILE   A 1 23  ? -37.353 4.428   -28.945 1.00 14.69 ? 29  ILE   B CD1 1 
ATOM   203  N N   . ILE   A 1 24  ? -32.334 1.499   -30.490 1.00 15.00 ? 30  ILE   B N   1 
ATOM   204  C CA  . ILE   A 1 24  ? -30.875 1.294   -30.264 1.00 15.41 ? 30  ILE   B CA  1 
ATOM   205  C C   . ILE   A 1 24  ? -30.164 2.613   -30.454 1.00 16.34 ? 30  ILE   B C   1 
ATOM   206  O O   . ILE   A 1 24  ? -30.455 3.383   -31.434 1.00 16.95 ? 30  ILE   B O   1 
ATOM   207  C CB  . ILE   A 1 24  ? -30.376 0.219   -31.199 1.00 16.29 ? 30  ILE   B CB  1 
ATOM   208  C CG1 . ILE   A 1 24  ? -30.972 -1.104  -30.778 1.00 19.17 ? 30  ILE   B CG1 1 
ATOM   209  C CG2 . ILE   A 1 24  ? -28.850 0.100   -31.222 1.00 16.62 ? 30  ILE   B CG2 1 
ATOM   210  C CD1 . ILE   A 1 24  ? -30.764 -2.107  -31.713 1.00 19.75 ? 30  ILE   B CD1 1 
ATOM   211  N N   . SER   A 1 25  ? -29.292 2.980   -29.560 1.00 15.28 ? 31  SER   B N   1 
ATOM   212  C CA  . SER   A 1 25  ? -28.592 4.266   -29.608 1.00 16.23 ? 31  SER   B CA  1 
ATOM   213  C C   . SER   A 1 25  ? -27.670 4.331   -30.835 1.00 14.25 ? 31  SER   B C   1 
ATOM   214  O O   . SER   A 1 25  ? -27.305 3.338   -31.421 1.00 14.47 ? 31  SER   B O   1 
ATOM   215  C CB  . SER   A 1 25  ? -27.873 4.460   -28.331 1.00 16.45 ? 31  SER   B CB  1 
ATOM   216  O OG  . SER   A 1 25  ? -26.895 3.429   -28.144 1.00 15.91 ? 31  SER   B OG  1 
ATOM   217  N N   . LYS   A 1 26  ? -27.294 5.579   -31.188 1.00 18.48 ? 32  LYS   B N   1 
ATOM   218  C CA  . LYS   A 1 26  ? -26.378 5.837   -32.326 1.00 18.74 ? 32  LYS   B CA  1 
ATOM   219  C C   . LYS   A 1 26  ? -25.087 5.022   -32.192 1.00 16.45 ? 32  LYS   B C   1 
ATOM   220  O O   . LYS   A 1 26  ? -24.637 4.505   -33.205 1.00 17.94 ? 32  LYS   B O   1 
ATOM   221  C CB  . LYS   A 1 26  ? -26.040 7.334   -32.402 1.00 20.99 ? 32  LYS   B CB  1 
ATOM   222  C CG  . LYS   A 1 26  ? -25.140 7.695   -33.568 1.00 22.60 ? 32  LYS   B CG  1 
ATOM   223  C CD  . LYS   A 1 26  ? -25.283 9.146   -33.906 1.00 24.12 ? 32  LYS   B CD  1 
ATOM   224  C CE  . LYS   A 1 26  ? -25.050 9.989   -32.683 1.00 28.75 ? 32  LYS   B CE  1 
ATOM   225  N NZ  . LYS   A 1 26  ? -25.271 11.401  -33.007 1.00 30.43 ? 32  LYS   B NZ  1 
ATOM   226  N N   . ASP   A 1 27  ? -24.508 4.957   -30.995 1.00 17.35 ? 33  ASP   B N   1 
ATOM   227  C CA  . ASP   A 1 27  ? -23.242 4.191   -30.793 1.00 16.01 ? 33  ASP   B CA  1 
ATOM   228  C C   . ASP   A 1 27  ? -23.475 2.659   -30.777 1.00 14.83 ? 33  ASP   B C   1 
ATOM   229  O O   . ASP   A 1 27  ? -22.483 1.913   -30.689 1.00 14.99 ? 33  ASP   B O   1 
ATOM   230  C CB  . ASP   A 1 27  ? -22.483 4.674   -29.561 1.00 17.29 ? 33  ASP   B CB  1 
ATOM   231  C CG  . ASP   A 1 27  ? -23.156 4.443   -28.221 1.00 17.62 ? 33  ASP   B CG  1 
ATOM   232  O OD1 . ASP   A 1 27  ? -24.235 3.792   -28.224 1.00 17.78 ? 33  ASP   B OD1 1 
ATOM   233  O OD2 . ASP   A 1 27  ? -22.567 4.849   -27.209 1.00 20.53 ? 33  ASP   B OD2 1 
ATOM   234  N N   . ARG   A 1 28  ? -24.710 2.190   -30.913 1.00 13.53 ? 34  ARG   B N   1 
ATOM   235  C CA  . ARG   A 1 28  ? -25.087 0.752   -30.901 1.00 13.81 ? 34  ARG   B CA  1 
ATOM   236  C C   . ARG   A 1 28  ? -24.646 0.094   -29.581 1.00 11.72 ? 34  ARG   B C   1 
ATOM   237  O O   . ARG   A 1 28  ? -24.505 -1.163  -29.563 1.00 12.86 ? 34  ARG   B O   1 
ATOM   238  C CB  . ARG   A 1 28  ? -24.562 0.044   -32.150 1.00 17.18 ? 34  ARG   B CB  1 
ATOM   239  C CG  . ARG   A 1 28  ? -25.122 0.649   -33.435 1.00 22.31 ? 34  ARG   B CG  1 
ATOM   240  C CD  . ARG   A 1 28  ? -24.809 -0.092  -34.699 1.00 29.46 ? 34  ARG   B CD  1 
ATOM   241  N NE  . ARG   A 1 28  ? -23.391 -0.315  -34.910 1.00 35.84 ? 34  ARG   B NE  1 
ATOM   242  C CZ  . ARG   A 1 28  ? -22.736 -1.493  -34.824 1.00 45.65 ? 34  ARG   B CZ  1 
ATOM   243  N NH1 . ARG   A 1 28  ? -23.347 -2.643  -34.526 1.00 39.22 ? 34  ARG   B NH1 1 
ATOM   244  N NH2 . ARG   A 1 28  ? -21.429 -1.506  -35.059 1.00 50.92 ? 34  ARG   B NH2 1 
ATOM   245  N N   . ARG   A 1 29  ? -24.611 0.834   -28.511 1.00 11.24 ? 35  ARG   B N   1 
ATOM   246  C CA  . ARG   A 1 29  ? -24.223 0.287   -27.193 1.00 12.36 ? 35  ARG   B CA  1 
ATOM   247  C C   . ARG   A 1 29  ? -25.372 0.264   -26.193 1.00 12.35 ? 35  ARG   B C   1 
ATOM   248  O O   . ARG   A 1 29  ? -25.185 -0.293  -25.096 1.00 13.87 ? 35  ARG   B O   1 
ATOM   249  C CB  . ARG   A 1 29  ? -23.035 1.061   -26.606 1.00 12.94 ? 35  ARG   B CB  1 
ATOM   250  C CG  . ARG   A 1 29  ? -21.786 1.005   -27.465 1.00 15.38 ? 35  ARG   B CG  1 
ATOM   251  C CD  . ARG   A 1 29  ? -20.946 -0.223  -27.234 1.00 15.32 ? 35  ARG   B CD  1 
ATOM   252  N NE  . ARG   A 1 29  ? -20.186 -0.057  -25.985 1.00 16.47 ? 35  ARG   B NE  1 
ATOM   253  C CZ  . ARG   A 1 29  ? -19.481 -1.022  -25.372 1.00 15.41 ? 35  ARG   B CZ  1 
ATOM   254  N NH1 . ARG   A 1 29  ? -19.388 -2.189  -25.935 1.00 15.60 ? 35  ARG   B NH1 1 
ATOM   255  N NH2 . ARG   A 1 29  ? -18.843 -0.757  -24.261 1.00 17.33 ? 35  ARG   B NH2 1 
ATOM   256  N N   . GLN   A 1 30  ? -26.512 0.898   -26.473 1.00 11.65 ? 36  GLN   B N   1 
ATOM   257  C CA  . GLN   A 1 30  ? -27.679 0.915   -25.579 1.00 12.77 ? 36  GLN   B CA  1 
ATOM   258  C C   . GLN   A 1 30  ? -28.946 0.531   -26.326 1.00 11.40 ? 36  GLN   B C   1 
ATOM   259  O O   . GLN   A 1 30  ? -29.060 0.788   -27.544 1.00 12.45 ? 36  GLN   B O   1 
ATOM   260  C CB  . GLN   A 1 30  ? -27.886 2.298   -24.951 1.00 14.68 ? 36  GLN   B CB  1 
ATOM   261  C CG  . GLN   A 1 30  ? -26.623 2.935   -24.404 1.00 17.37 ? 36  GLN   B CG  1 
ATOM   262  C CD  . GLN   A 1 30  ? -26.962 4.180   -23.608 1.00 19.85 ? 36  GLN   B CD  1 
ATOM   263  O OE1 . GLN   A 1 30  ? -28.126 4.437   -23.257 1.00 23.43 ? 36  GLN   B OE1 1 
ATOM   264  N NE2 . GLN   A 1 30  ? -25.951 4.988   -23.367 1.00 24.51 ? 36  GLN   B NE2 1 
ATOM   265  N N   . VAL   A 1 31  ? -29.885 -0.057  -25.609 1.00 10.62 ? 37  VAL   B N   1 
ATOM   266  C CA  . VAL   A 1 31  ? -31.176 -0.430  -26.219 1.00 10.38 ? 37  VAL   B CA  1 
ATOM   267  C C   . VAL   A 1 31  ? -32.254 -0.273  -25.163 1.00 10.78 ? 37  VAL   B C   1 
ATOM   268  O O   . VAL   A 1 31  ? -32.082 -0.648  -24.006 1.00 10.78 ? 37  VAL   B O   1 
ATOM   269  C CB  . VAL   A 1 31  ? -31.117 -1.841  -26.804 1.00 9.78  ? 37  VAL   B CB  1 
ATOM   270  C CG1 . VAL   A 1 31  ? -30.697 -2.903  -25.775 1.00 10.39 ? 37  VAL   B CG1 1 
ATOM   271  C CG2 . VAL   A 1 31  ? -32.432 -2.227  -27.436 1.00 10.57 ? 37  VAL   B CG2 1 
ATOM   272  N N   . ARG   A 1 32  ? -33.396 0.280   -25.568 1.00 11.20 ? 38  ARG   B N   1 
ATOM   273  C CA  . ARG   A 1 32  ? -34.581 0.341   -24.697 1.00 11.30 ? 38  ARG   B CA  1 
ATOM   274  C C   . ARG   A 1 32  ? -35.843 0.064   -25.534 1.00 11.41 ? 38  ARG   B C   1 
ATOM   275  O O   . ARG   A 1 32  ? -35.833 0.152   -26.749 1.00 11.75 ? 38  ARG   B O   1 
ATOM   276  C CB  . ARG   A 1 32  ? -34.705 1.705   -24.016 1.00 12.76 ? 38  ARG   B CB  1 
ATOM   277  C CG  . ARG   A 1 32  ? -34.939 2.840   -24.989 1.00 14.94 ? 38  ARG   B CG  1 
ATOM   278  C CD  . ARG   A 1 32  ? -34.912 4.159   -24.232 1.00 17.59 ? 38  ARG   B CD  1 
ATOM   279  N NE  . ARG   A 1 32  ? -35.113 5.283   -25.127 1.00 22.94 ? 38  ARG   B NE  1 
ATOM   280  C CZ  . ARG   A 1 32  ? -36.286 5.790   -25.425 1.00 19.34 ? 38  ARG   B CZ  1 
ATOM   281  N NH1 . ARG   A 1 32  ? -37.407 5.282   -24.969 1.00 20.72 ? 38  ARG   B NH1 1 
ATOM   282  N NH2 . ARG   A 1 32  ? -36.320 6.835   -26.250 1.00 22.91 ? 38  ARG   B NH2 1 
ATOM   283  N N   A MET   A 1 33  ? -36.905 -0.267  -24.807 0.24 11.55 ? 39  MET   B N   1 
ATOM   284  N N   B MET   A 1 33  ? -36.922 -0.322  -24.874 0.22 12.32 ? 39  MET   B N   1 
ATOM   285  C CA  A MET   A 1 33  ? -38.282 -0.442  -25.335 0.24 12.90 ? 39  MET   B CA  1 
ATOM   286  C CA  B MET   A 1 33  ? -38.178 -0.589  -25.615 0.22 14.03 ? 39  MET   B CA  1 
ATOM   287  C C   A MET   A 1 33  ? -38.846 0.937   -25.721 0.24 12.61 ? 39  MET   B C   1 
ATOM   288  C C   B MET   A 1 33  ? -39.002 0.696   -25.703 0.22 13.59 ? 39  MET   B C   1 
ATOM   289  O O   A MET   A 1 33  ? -38.823 1.879   -24.921 0.24 11.19 ? 39  MET   B O   1 
ATOM   290  O O   B MET   A 1 33  ? -39.363 1.246   -24.607 0.22 12.55 ? 39  MET   B O   1 
ATOM   291  C CB  A MET   A 1 33  ? -39.140 -1.130  -24.266 0.24 14.38 ? 39  MET   B CB  1 
ATOM   292  C CB  B MET   A 1 33  ? -39.010 -1.684  -24.959 0.22 16.62 ? 39  MET   B CB  1 
ATOM   293  C CG  A MET   A 1 33  ? -40.526 -1.580  -24.735 0.24 16.72 ? 39  MET   B CG  1 
ATOM   294  C CG  B MET   A 1 33  ? -40.287 -1.940  -25.732 0.22 19.00 ? 39  MET   B CG  1 
ATOM   295  S SD  A MET   A 1 33  ? -40.503 -2.893  -26.021 0.24 18.10 ? 39  MET   B SD  1 
ATOM   296  S SD  B MET   A 1 33  ? -41.110 -3.401  -25.142 0.22 21.98 ? 39  MET   B SD  1 
ATOM   297  C CE  A MET   A 1 33  ? -42.077 -3.654  -25.671 0.24 20.05 ? 39  MET   B CE  1 
ATOM   298  C CE  B MET   A 1 33  ? -42.490 -3.289  -26.263 0.22 21.00 ? 39  MET   B CE  1 
ATOM   299  N N   . GLY   A 1 34  ? -39.278 1.095   -26.960 1.00 13.58 ? 40  GLY   B N   1 
ATOM   300  C CA  . GLY   A 1 34  ? -40.124 2.261   -27.299 1.00 14.76 ? 40  GLY   B CA  1 
ATOM   301  C C   . GLY   A 1 34  ? -41.574 2.002   -26.924 1.00 15.43 ? 40  GLY   B C   1 
ATOM   302  O O   . GLY   A 1 34  ? -41.934 0.935   -26.497 1.00 15.13 ? 40  GLY   B O   1 
ATOM   303  N N   . ASP   A 1 35  ? -42.411 3.065   -26.989 1.00 16.97 ? 41  ASP   B N   1 
ATOM   304  C CA  . ASP   A 1 35  ? -43.848 2.917   -26.580 1.00 18.14 ? 41  ASP   B CA  1 
ATOM   305  C C   . ASP   A 1 35  ? -44.695 2.526   -27.815 1.00 15.53 ? 41  ASP   B C   1 
ATOM   306  O O   . ASP   A 1 35  ? -45.943 2.422   -27.656 1.00 15.48 ? 41  ASP   B O   1 
ATOM   307  C CB  . ASP   A 1 35  ? -44.368 4.151   -25.798 1.00 21.81 ? 41  ASP   B CB  1 
ATOM   308  C CG  . ASP   A 1 35  ? -43.888 4.305   -24.340 1.00 26.44 ? 41  ASP   B CG  1 
ATOM   309  O OD1 . ASP   A 1 35  ? -43.702 3.267   -23.630 1.00 28.68 ? 41  ASP   B OD1 1 
ATOM   310  O OD2 . ASP   A 1 35  ? -43.790 5.468   -23.877 1.00 29.97 ? 41  ASP   B OD2 1 
ATOM   311  N N   . THR   A 1 36  ? -44.092 2.305   -28.963 1.00 12.84 ? 42  THR   B N   1 
ATOM   312  C CA  . THR   A 1 36  ? -44.795 2.005   -30.244 1.00 12.91 ? 42  THR   B CA  1 
ATOM   313  C C   . THR   A 1 36  ? -43.842 1.319   -31.212 1.00 11.16 ? 42  THR   B C   1 
ATOM   314  O O   . THR   A 1 36  ? -42.564 1.327   -31.012 1.00 11.55 ? 42  THR   B O   1 
ATOM   315  C CB  . THR   A 1 36  ? -45.369 3.352   -30.698 1.00 13.93 ? 42  THR   B CB  1 
ATOM   316  O OG1 . THR   A 1 36  ? -46.291 3.085   -31.728 1.00 14.80 ? 42  THR   B OG1 1 
ATOM   317  C CG2 . THR   A 1 36  ? -44.306 4.341   -31.126 1.00 15.12 ? 42  THR   B CG2 1 
ATOM   318  N N   . HIS   A 1 37  ? -44.335 0.835   -32.345 1.00 11.51 ? 43  HIS   B N   1 
ATOM   319  C CA  . HIS   A 1 37  ? -43.509 0.336   -33.463 1.00 10.98 ? 43  HIS   B CA  1 
ATOM   320  C C   . HIS   A 1 37  ? -42.564 1.437   -33.930 1.00 11.93 ? 43  HIS   B C   1 
ATOM   321  O O   . HIS   A 1 37  ? -43.022 2.599   -34.139 1.00 11.59 ? 43  HIS   B O   1 
ATOM   322  C CB  . HIS   A 1 37  ? -44.437 -0.141  -34.583 1.00 11.07 ? 43  HIS   B CB  1 
ATOM   323  C CG  . HIS   A 1 37  ? -43.821 -0.810  -35.737 1.00 11.00 ? 43  HIS   B CG  1 
ATOM   324  N ND1 . HIS   A 1 37  ? -43.010 -0.162  -36.664 1.00 11.71 ? 43  HIS   B ND1 1 
ATOM   325  C CD2 . HIS   A 1 37  ? -43.962 -2.083  -36.210 1.00 11.56 ? 43  HIS   B CD2 1 
ATOM   326  C CE1 . HIS   A 1 37  ? -42.704 -1.008  -37.630 1.00 11.88 ? 43  HIS   B CE1 1 
ATOM   327  N NE2 . HIS   A 1 37  ? -43.261 -2.231  -37.378 1.00 12.24 ? 43  HIS   B NE2 1 
ATOM   328  N N   . GLN   A 1 38  ? -41.290 1.145   -34.153 1.00 11.08 ? 44  GLN   B N   1 
ATOM   329  C CA  . GLN   A 1 38  ? -40.247 2.159   -34.425 1.00 10.71 ? 44  GLN   B CA  1 
ATOM   330  C C   . GLN   A 1 38  ? -40.064 2.393   -35.928 1.00 12.01 ? 44  GLN   B C   1 
ATOM   331  O O   . GLN   A 1 38  ? -39.040 2.991   -36.318 1.00 13.50 ? 44  GLN   B O   1 
ATOM   332  C CB  . GLN   A 1 38  ? -38.937 1.789   -33.705 1.00 10.90 ? 44  GLN   B CB  1 
ATOM   333  C CG  . GLN   A 1 38  ? -39.077 1.861   -32.211 1.00 11.61 ? 44  GLN   B CG  1 
ATOM   334  C CD  . GLN   A 1 38  ? -39.565 3.202   -31.722 1.00 12.07 ? 44  GLN   B CD  1 
ATOM   335  O OE1 . GLN   A 1 38  ? -40.527 3.341   -30.948 1.00 14.99 ? 44  GLN   B OE1 1 
ATOM   336  N NE2 . GLN   A 1 38  ? -38.918 4.254   -32.176 1.00 11.53 ? 44  GLN   B NE2 1 
ATOM   337  N N   . ASN   A 1 39  ? -41.003 1.974   -36.774 1.00 11.67 ? 45  ASN   B N   1 
ATOM   338  C CA  . ASN   A 1 39  ? -41.081 2.427   -38.191 1.00 11.50 ? 45  ASN   B CA  1 
ATOM   339  C C   . ASN   A 1 39  ? -39.970 1.834   -39.031 1.00 12.35 ? 45  ASN   B C   1 
ATOM   340  O O   . ASN   A 1 39  ? -39.523 2.443   -40.008 1.00 13.61 ? 45  ASN   B O   1 
ATOM   341  C CB  . ASN   A 1 39  ? -41.073 3.964   -38.319 1.00 12.10 ? 45  ASN   B CB  1 
ATOM   342  C CG  . ASN   A 1 39  ? -41.728 4.412   -39.611 1.00 11.37 ? 45  ASN   B CG  1 
ATOM   343  O OD1 . ASN   A 1 39  ? -42.619 3.760   -40.182 1.00 11.01 ? 45  ASN   B OD1 1 
ATOM   344  N ND2 . ASN   A 1 39  ? -41.290 5.575   -40.108 1.00 11.32 ? 45  ASN   B ND2 1 
ATOM   345  N N   . VAL   A 1 40  ? -39.600 0.591   -38.762 1.00 14.57 ? 46  VAL   B N   1 
ATOM   346  C CA  . VAL   A 1 40  ? -38.630 -0.212  -39.559 1.00 15.43 ? 46  VAL   B CA  1 
ATOM   347  C C   . VAL   A 1 40  ? -39.389 -1.270  -40.379 1.00 15.04 ? 46  VAL   B C   1 
ATOM   348  O O   . VAL   A 1 40  ? -40.466 -1.678  -39.973 1.00 14.63 ? 46  VAL   B O   1 
ATOM   349  C CB  . VAL   A 1 40  ? -37.574 -0.876  -38.652 1.00 16.90 ? 46  VAL   B CB  1 
ATOM   350  C CG1 . VAL   A 1 40  ? -36.638 0.145   -38.009 1.00 20.06 ? 46  VAL   B CG1 1 
ATOM   351  C CG2 . VAL   A 1 40  ? -38.177 -1.772  -37.592 1.00 17.21 ? 46  VAL   B CG2 1 
ATOM   352  N N   . SER   A 1 41  ? -38.826 -1.730  -41.504 1.00 15.94 ? 47  SER   B N   1 
ATOM   353  C CA  . SER   A 1 41  ? -39.380 -2.852  -42.284 1.00 16.40 ? 47  SER   B CA  1 
ATOM   354  C C   . SER   A 1 41  ? -39.200 -4.161  -41.531 1.00 14.44 ? 47  SER   B C   1 
ATOM   355  O O   . SER   A 1 41  ? -38.227 -4.288  -40.718 1.00 14.44 ? 47  SER   B O   1 
ATOM   356  C CB  . SER   A 1 41  ? -38.733 -2.961  -43.649 1.00 17.88 ? 47  SER   B CB  1 
ATOM   357  O OG  . SER   A 1 41  ? -37.331 -3.183  -43.547 1.00 21.51 ? 47  SER   B OG  1 
ATOM   358  N N   . ASP   A 1 42  ? -40.046 -5.134  -41.745 1.00 15.65 ? 48  ASP   B N   1 
ATOM   359  C CA  . ASP   A 1 42  ? -39.907 -6.481  -41.155 1.00 15.77 ? 48  ASP   B CA  1 
ATOM   360  C C   . ASP   A 1 42  ? -38.849 -7.241  -41.953 1.00 17.05 ? 48  ASP   B C   1 
ATOM   361  O O   . ASP   A 1 42  ? -38.604 -6.950  -43.143 1.00 16.20 ? 48  ASP   B O   1 
ATOM   362  C CB  . ASP   A 1 42  ? -41.260 -7.172  -41.056 1.00 16.97 ? 48  ASP   B CB  1 
ATOM   363  C CG  . ASP   A 1 42  ? -41.160 -8.423  -40.231 1.00 20.20 ? 48  ASP   B CG  1 
ATOM   364  O OD1 . ASP   A 1 42  ? -40.407 -8.430  -39.191 1.00 16.38 ? 48  ASP   B OD1 1 
ATOM   365  O OD2 . ASP   A 1 42  ? -41.620 -9.448  -40.789 1.00 29.71 ? 48  ASP   B OD2 1 
ATOM   366  N N   . ASN   A 1 43  ? -38.250 -8.243  -41.316 1.00 14.84 ? 49  ASN   B N   1 
ATOM   367  C CA  . ASN   A 1 43  ? -37.281 -9.143  -41.979 1.00 15.08 ? 49  ASN   B CA  1 
ATOM   368  C C   . ASN   A 1 43  ? -37.225 -10.420 -41.163 1.00 15.18 ? 49  ASN   B C   1 
ATOM   369  O O   . ASN   A 1 43  ? -37.805 -10.498 -40.056 1.00 15.76 ? 49  ASN   B O   1 
ATOM   370  C CB  . ASN   A 1 43  ? -35.935 -8.476  -42.167 1.00 15.01 ? 49  ASN   B CB  1 
ATOM   371  C CG  . ASN   A 1 43  ? -35.175 -8.268  -40.869 1.00 14.76 ? 49  ASN   B CG  1 
ATOM   372  O OD1 . ASN   A 1 43  ? -35.026 -9.227  -40.099 1.00 16.02 ? 49  ASN   B OD1 1 
ATOM   373  N ND2 . ASN   A 1 43  ? -34.705 -7.100  -40.581 1.00 14.03 ? 49  ASN   B ND2 1 
ATOM   374  N N   . LYS   A 1 44  ? -36.611 -11.444 -41.726 1.00 16.60 ? 50  LYS   B N   1 
ATOM   375  C CA  . LYS   A 1 44  ? -36.638 -12.796 -41.128 1.00 17.56 ? 50  LYS   B CA  1 
ATOM   376  C C   . LYS   A 1 44  ? -35.734 -12.864 -39.882 1.00 15.15 ? 50  LYS   B C   1 
ATOM   377  O O   . LYS   A 1 44  ? -35.915 -13.802 -39.116 1.00 16.72 ? 50  LYS   B O   1 
ATOM   378  C CB  . LYS   A 1 44  ? -36.175 -13.834 -42.156 1.00 22.17 ? 50  LYS   B CB  1 
ATOM   379  C CG  . LYS   A 1 44  ? -34.769 -13.608 -42.657 1.00 26.38 ? 50  LYS   B CG  1 
ATOM   380  C CD  . LYS   A 1 44  ? -34.342 -14.560 -43.756 1.00 34.75 ? 50  LYS   B CD  1 
ATOM   381  C CE  . LYS   A 1 44  ? -32.839 -14.581 -43.914 1.00 38.04 ? 50  LYS   B CE  1 
ATOM   382  N NZ  . LYS   A 1 44  ? -32.435 -15.639 -44.868 1.00 44.18 ? 50  LYS   B NZ  1 
ATOM   383  N N   . GLU   A 1 45  ? -34.859 -11.913 -39.704 1.00 14.30 ? 51  GLU   B N   1 
ATOM   384  C CA  . GLU   A 1 45  ? -33.936 -11.901 -38.519 1.00 14.16 ? 51  GLU   B CA  1 
ATOM   385  C C   . GLU   A 1 45  ? -34.613 -11.339 -37.256 1.00 13.41 ? 51  GLU   B C   1 
ATOM   386  O O   . GLU   A 1 45  ? -34.159 -11.668 -36.111 1.00 14.14 ? 51  GLU   B O   1 
ATOM   387  C CB  . GLU   A 1 45  ? -32.715 -11.061 -38.781 1.00 16.37 ? 51  GLU   B CB  1 
ATOM   388  C CG  . GLU   A 1 45  ? -31.868 -11.467 -39.990 1.00 20.36 ? 51  GLU   B CG  1 
ATOM   389  C CD  . GLU   A 1 45  ? -30.682 -10.523 -40.164 1.00 25.98 ? 51  GLU   B CD  1 
ATOM   390  O OE1 . GLU   A 1 45  ? -30.643 -9.783  -41.180 1.00 32.20 ? 51  GLU   B OE1 1 
ATOM   391  O OE2 . GLU   A 1 45  ? -29.802 -10.454 -39.279 1.00 27.72 ? 51  GLU   B OE2 1 
ATOM   392  N N   . ARG   A 1 46  ? -35.632 -10.477 -37.359 1.00 12.24 ? 52  ARG   B N   1 
ATOM   393  C CA  . ARG   A 1 46  ? -36.169 -9.780  -36.162 1.00 11.74 ? 52  ARG   B CA  1 
ATOM   394  C C   . ARG   A 1 46  ? -36.897 -10.727 -35.246 1.00 11.51 ? 52  ARG   B C   1 
ATOM   395  O O   . ARG   A 1 46  ? -37.766 -11.518 -35.636 1.00 12.30 ? 52  ARG   B O   1 
ATOM   396  C CB  . ARG   A 1 46  ? -37.147 -8.687  -36.588 1.00 11.55 ? 52  ARG   B CB  1 
ATOM   397  C CG  . ARG   A 1 46  ? -36.550 -7.598  -37.447 1.00 12.55 ? 52  ARG   B CG  1 
ATOM   398  C CD  . ARG   A 1 46  ? -37.446 -6.328  -37.397 1.00 11.44 ? 52  ARG   B CD  1 
ATOM   399  N NE  . ARG   A 1 46  ? -36.935 -5.294  -38.279 1.00 13.15 ? 52  ARG   B NE  1 
ATOM   400  C CZ  . ARG   A 1 46  ? -35.831 -4.603  -38.079 1.00 13.19 ? 52  ARG   B CZ  1 
ATOM   401  N NH1 . ARG   A 1 46  ? -35.205 -4.632  -36.905 1.00 12.70 ? 52  ARG   B NH1 1 
ATOM   402  N NH2 . ARG   A 1 46  ? -35.353 -3.785  -39.012 1.00 15.05 ? 52  ARG   B NH2 1 
ATOM   403  N N   . PHE   A 1 47  ? -36.601 -10.624 -33.959 1.00 10.70 ? 53  PHE   B N   1 
ATOM   404  C CA  . PHE   A 1 47  ? -37.405 -11.313 -32.947 1.00 10.69 ? 53  PHE   B CA  1 
ATOM   405  C C   . PHE   A 1 47  ? -38.814 -10.685 -32.926 1.00 11.66 ? 53  PHE   B C   1 
ATOM   406  O O   . PHE   A 1 47  ? -38.960 -9.496  -32.693 1.00 12.38 ? 53  PHE   B O   1 
ATOM   407  C CB  . PHE   A 1 47  ? -36.760 -11.187 -31.573 1.00 9.64  ? 53  PHE   B CB  1 
ATOM   408  C CG  . PHE   A 1 47  ? -35.535 -12.064 -31.411 1.00 9.55  ? 53  PHE   B CG  1 
ATOM   409  C CD1 . PHE   A 1 47  ? -35.658 -13.423 -31.172 1.00 9.80  ? 53  PHE   B CD1 1 
ATOM   410  C CD2 . PHE   A 1 47  ? -34.262 -11.525 -31.515 1.00 10.13 ? 53  PHE   B CD2 1 
ATOM   411  C CE1 . PHE   A 1 47  ? -34.534 -14.234 -31.022 1.00 10.55 ? 53  PHE   B CE1 1 
ATOM   412  C CE2 . PHE   A 1 47  ? -33.124 -12.345 -31.362 1.00 10.29 ? 53  PHE   B CE2 1 
ATOM   413  C CZ  . PHE   A 1 47  ? -33.290 -13.697 -31.115 1.00 9.48  ? 53  PHE   B CZ  1 
ATOM   414  N N   . SER   A 1 48  ? -39.855 -11.462 -33.138 1.00 12.12 ? 54  SER   B N   1 
ATOM   415  C CA  . SER   A 1 48  ? -41.226 -10.912 -33.364 1.00 12.70 ? 54  SER   B CA  1 
ATOM   416  C C   . SER   A 1 48  ? -41.979 -10.792 -32.059 1.00 13.42 ? 54  SER   B C   1 
ATOM   417  O O   . SER   A 1 48  ? -42.781 -9.825  -31.925 1.00 14.97 ? 54  SER   B O   1 
ATOM   418  C CB  . SER   A 1 48  ? -41.994 -11.754 -34.382 1.00 14.19 ? 54  SER   B CB  1 
ATOM   419  O OG  . SER   A 1 48  ? -42.118 -13.093 -33.955 1.00 14.13 ? 54  SER   B OG  1 
ATOM   420  N N   . ASN   A 1 49  ? -41.861 -11.721 -31.136 1.00 11.83 ? 55  ASN   B N   1 
ATOM   421  C CA  . ASN   A 1 49  ? -42.802 -11.847 -30.004 1.00 13.52 ? 55  ASN   B CA  1 
ATOM   422  C C   . ASN   A 1 49  ? -42.264 -11.214 -28.736 1.00 12.27 ? 55  ASN   B C   1 
ATOM   423  O O   . ASN   A 1 49  ? -43.036 -11.028 -27.798 1.00 14.56 ? 55  ASN   B O   1 
ATOM   424  C CB  . ASN   A 1 49  ? -43.122 -13.302 -29.719 1.00 14.97 ? 55  ASN   B CB  1 
ATOM   425  C CG  . ASN   A 1 49  ? -44.049 -13.936 -30.751 1.00 16.85 ? 55  ASN   B CG  1 
ATOM   426  O OD1 . ASN   A 1 49  ? -43.848 -13.791 -31.959 1.00 18.68 ? 55  ASN   B OD1 1 
ATOM   427  N ND2 . ASN   A 1 49  ? -45.126 -14.522 -30.256 1.00 20.65 ? 55  ASN   B ND2 1 
ATOM   428  N N   . TYR   A 1 50  ? -40.960 -10.913 -28.666 1.00 11.44 ? 56  TYR   B N   1 
ATOM   429  C CA  . TYR   A 1 50  ? -40.307 -10.451 -27.417 1.00 10.42 ? 56  TYR   B CA  1 
ATOM   430  C C   . TYR   A 1 50  ? -39.341 -9.335  -27.773 1.00 9.56  ? 56  TYR   B C   1 
ATOM   431  O O   . TYR   A 1 50  ? -38.840 -9.255  -28.884 1.00 9.93  ? 56  TYR   B O   1 
ATOM   432  C CB  . TYR   A 1 50  ? -39.507 -11.596 -26.784 1.00 10.88 ? 56  TYR   B CB  1 
ATOM   433  C CG  . TYR   A 1 50  ? -40.230 -12.911 -26.674 1.00 12.02 ? 56  TYR   B CG  1 
ATOM   434  C CD1 . TYR   A 1 50  ? -41.163 -13.107 -25.668 1.00 14.36 ? 56  TYR   B CD1 1 
ATOM   435  C CD2 . TYR   A 1 50  ? -39.992 -13.981 -27.517 1.00 13.12 ? 56  TYR   B CD2 1 
ATOM   436  C CE1 . TYR   A 1 50  ? -41.852 -14.305 -25.524 1.00 14.88 ? 56  TYR   B CE1 1 
ATOM   437  C CE2 . TYR   A 1 50  ? -40.701 -15.166 -27.425 1.00 12.98 ? 56  TYR   B CE2 1 
ATOM   438  C CZ  . TYR   A 1 50  ? -41.606 -15.342 -26.400 1.00 14.22 ? 56  TYR   B CZ  1 
ATOM   439  O OH  . TYR   A 1 50  ? -42.228 -16.550 -26.333 1.00 16.25 ? 56  TYR   B OH  1 
ATOM   440  N N   . PRO   A 1 51  ? -39.046 -8.439  -26.812 1.00 10.24 ? 57  PRO   B N   1 
ATOM   441  C CA  . PRO   A 1 51  ? -38.183 -7.295  -27.057 1.00 10.19 ? 57  PRO   B CA  1 
ATOM   442  C C   . PRO   A 1 51  ? -36.664 -7.614  -27.010 1.00 9.20  ? 57  PRO   B C   1 
ATOM   443  O O   . PRO   A 1 51  ? -35.923 -7.099  -26.197 1.00 9.42  ? 57  PRO   B O   1 
ATOM   444  C CB  . PRO   A 1 51  ? -38.646 -6.229  -26.033 1.00 12.20 ? 57  PRO   B CB  1 
ATOM   445  C CG  . PRO   A 1 51  ? -39.465 -6.956  -25.059 1.00 14.49 ? 57  PRO   B CG  1 
ATOM   446  C CD  . PRO   A 1 51  ? -39.669 -8.369  -25.484 1.00 11.00 ? 57  PRO   B CD  1 
ATOM   447  N N   . MET   A 1 52  ? -36.275 -8.496  -27.946 1.00 8.94  ? 58  MET   B N   1 
ATOM   448  C CA  . MET   A 1 52  ? -34.942 -9.115  -27.993 1.00 8.28  ? 58  MET   B CA  1 
ATOM   449  C C   . MET   A 1 52  ? -34.139 -8.538  -29.143 1.00 8.94  ? 58  MET   B C   1 
ATOM   450  O O   . MET   A 1 52  ? -34.659 -8.044  -30.186 1.00 9.74  ? 58  MET   B O   1 
ATOM   451  C CB  . MET   A 1 52  ? -35.091 -10.612 -28.177 1.00 8.96  ? 58  MET   B CB  1 
ATOM   452  C CG  . MET   A 1 52  ? -35.621 -11.310 -26.964 1.00 8.96  ? 58  MET   B CG  1 
ATOM   453  S SD  . MET   A 1 52  ? -36.119 -13.011 -27.390 1.00 10.28 ? 58  MET   B SD  1 
ATOM   454  C CE  . MET   A 1 52  ? -36.746 -13.613 -25.826 1.00 11.61 ? 58  MET   B CE  1 
ATOM   455  N N   . VAL   A 1 53  ? -32.818 -8.586  -28.976 1.00 8.44  ? 59  VAL   B N   1 
ATOM   456  C CA  . VAL   A 1 53  ? -31.840 -8.127  -29.987 1.00 8.86  ? 59  VAL   B CA  1 
ATOM   457  C C   . VAL   A 1 53  ? -30.527 -8.910  -29.794 1.00 8.94  ? 59  VAL   B C   1 
ATOM   458  O O   . VAL   A 1 53  ? -30.226 -9.311  -28.651 1.00 9.54  ? 59  VAL   B O   1 
ATOM   459  C CB  . VAL   A 1 53  ? -31.620 -6.605  -29.937 1.00 9.49  ? 59  VAL   B CB  1 
ATOM   460  C CG1 . VAL   A 1 53  ? -31.098 -6.159  -28.602 1.00 10.20 ? 59  VAL   B CG1 1 
ATOM   461  C CG2 . VAL   A 1 53  ? -30.760 -6.108  -31.073 1.00 10.23 ? 59  VAL   B CG2 1 
ATOM   462  N N   . LEU   A 1 54  ? -29.770 -9.109  -30.857 1.00 8.87  ? 60  LEU   B N   1 
ATOM   463  C CA  . LEU   A 1 54  ? -28.453 -9.785  -30.788 1.00 9.08  ? 60  LEU   B CA  1 
ATOM   464  C C   . LEU   A 1 54  ? -27.334 -8.787  -30.918 1.00 10.09 ? 60  LEU   B C   1 
ATOM   465  O O   . LEU   A 1 54  ? -27.446 -7.719  -31.621 1.00 10.79 ? 60  LEU   B O   1 
ATOM   466  C CB  . LEU   A 1 54  ? -28.301 -10.824 -31.891 1.00 9.92  ? 60  LEU   B CB  1 
ATOM   467  C CG  . LEU   A 1 54  ? -29.380 -11.880 -31.899 1.00 10.06 ? 60  LEU   B CG  1 
ATOM   468  C CD1 . LEU   A 1 54  ? -29.113 -12.963 -32.939 1.00 11.93 ? 60  LEU   B CD1 1 
ATOM   469  C CD2 . LEU   A 1 54  ? -29.561 -12.538 -30.550 1.00 10.25 ? 60  LEU   B CD2 1 
ATOM   470  N N   . GLY   A 1 55  ? -26.172 -9.105  -30.342 1.00 9.80  ? 61  GLY   B N   1 
ATOM   471  C CA  . GLY   A 1 55  ? -24.897 -8.443  -30.714 1.00 9.97  ? 61  GLY   B CA  1 
ATOM   472  C C   . GLY   A 1 55  ? -24.506 -8.774  -32.163 1.00 10.37 ? 61  GLY   B C   1 
ATOM   473  O O   . GLY   A 1 55  ? -24.830 -9.821  -32.658 1.00 11.00 ? 61  GLY   B O   1 
ATOM   474  N N   . ALA   A 1 56  ? -23.759 -7.869  -32.794 1.00 11.55 ? 62  ALA   B N   1 
ATOM   475  C CA  . ALA   A 1 56  ? -23.267 -8.074  -34.176 1.00 13.29 ? 62  ALA   B CA  1 
ATOM   476  C C   . ALA   A 1 56  ? -22.143 -9.111  -34.203 1.00 14.13 ? 62  ALA   B C   1 
ATOM   477  O O   . ALA   A 1 56  ? -21.993 -9.821  -35.211 1.00 16.93 ? 62  ALA   B O   1 
ATOM   478  C CB  . ALA   A 1 56  ? -22.818 -6.754  -34.699 1.00 15.30 ? 62  ALA   B CB  1 
ATOM   479  N N   . GLN   A 1 57  ? -21.396 -9.203  -33.118 1.00 13.05 ? 63  GLN   B N   1 
ATOM   480  C CA  . GLN   A 1 57  ? -20.204 -10.087 -33.081 1.00 13.50 ? 63  GLN   B CA  1 
ATOM   481  C C   . GLN   A 1 57  ? -20.630 -11.562 -33.059 1.00 13.58 ? 63  GLN   B C   1 
ATOM   482  O O   . GLN   A 1 57  ? -21.651 -11.962 -32.424 1.00 14.32 ? 63  GLN   B O   1 
ATOM   483  C CB  . GLN   A 1 57  ? -19.369 -9.734  -31.850 1.00 15.35 ? 63  GLN   B CB  1 
ATOM   484  C CG  . GLN   A 1 57  ? -18.671 -8.395  -31.949 1.00 16.90 ? 63  GLN   B CG  1 
ATOM   485  C CD  . GLN   A 1 57  ? -19.620 -7.215  -31.838 1.00 16.40 ? 63  GLN   B CD  1 
ATOM   486  O OE1 . GLN   A 1 57  ? -20.573 -7.265  -31.061 1.00 16.19 ? 63  GLN   B OE1 1 
ATOM   487  N NE2 . GLN   A 1 57  ? -19.352 -6.139  -32.543 1.00 19.03 ? 63  GLN   B NE2 1 
ATOM   488  N N   . ARG   A 1 58  ? -19.896 -12.403 -33.781 1.00 14.26 ? 64  ARG   B N   1 
ATOM   489  C CA  . ARG   A 1 58  ? -20.036 -13.868 -33.771 1.00 13.81 ? 64  ARG   B CA  1 
ATOM   490  C C   . ARG   A 1 58  ? -18.775 -14.502 -33.194 1.00 13.16 ? 64  ARG   B C   1 
ATOM   491  O O   . ARG   A 1 58  ? -17.657 -14.067 -33.553 1.00 16.16 ? 64  ARG   B O   1 
ATOM   492  C CB  . ARG   A 1 58  ? -20.201 -14.457 -35.190 1.00 17.29 ? 64  ARG   B CB  1 
ATOM   493  C CG  . ARG   A 1 58  ? -21.581 -14.363 -35.856 1.00 24.46 ? 64  ARG   B CG  1 
ATOM   494  C CD  . ARG   A 1 58  ? -22.182 -12.977 -35.668 1.00 25.72 ? 64  ARG   B CD  1 
ATOM   495  N NE  . ARG   A 1 58  ? -22.936 -12.118 -36.596 1.00 28.18 ? 64  ARG   B NE  1 
ATOM   496  C CZ  . ARG   A 1 58  ? -23.652 -12.478 -37.656 1.00 24.90 ? 64  ARG   B CZ  1 
ATOM   497  N NH1 . ARG   A 1 58  ? -24.282 -11.543 -38.353 1.00 29.99 ? 64  ARG   B NH1 1 
ATOM   498  N NH2 . ARG   A 1 58  ? -23.725 -13.736 -38.029 1.00 26.81 ? 64  ARG   B NH2 1 
ATOM   499  N N   . PHE   A 1 59  ? -18.929 -15.460 -32.318 1.00 11.60 ? 65  PHE   B N   1 
ATOM   500  C CA  . PHE   A 1 59  ? -17.770 -16.123 -31.679 1.00 12.50 ? 65  PHE   B CA  1 
ATOM   501  C C   . PHE   A 1 59  ? -17.833 -17.599 -31.941 1.00 11.70 ? 65  PHE   B C   1 
ATOM   502  O O   . PHE   A 1 59  ? -18.839 -18.240 -31.701 1.00 11.91 ? 65  PHE   B O   1 
ATOM   503  C CB  . PHE   A 1 59  ? -17.806 -15.860 -30.165 1.00 14.42 ? 65  PHE   B CB  1 
ATOM   504  C CG  . PHE   A 1 59  ? -17.806 -14.381 -29.807 1.00 16.34 ? 65  PHE   B CG  1 
ATOM   505  C CD1 . PHE   A 1 59  ? -16.779 -13.573 -30.276 1.00 19.11 ? 65  PHE   B CD1 1 
ATOM   506  C CD2 . PHE   A 1 59  ? -18.799 -13.787 -29.054 1.00 22.49 ? 65  PHE   B CD2 1 
ATOM   507  C CE1 . PHE   A 1 59  ? -16.700 -12.222 -29.980 1.00 20.55 ? 65  PHE   B CE1 1 
ATOM   508  C CE2 . PHE   A 1 59  ? -18.722 -12.423 -28.745 1.00 18.55 ? 65  PHE   B CE2 1 
ATOM   509  C CZ  . PHE   A 1 59  ? -17.704 -11.653 -29.245 1.00 19.58 ? 65  PHE   B CZ  1 
ATOM   510  N N   A SER   A 1 60  ? -16.715 -18.174 -32.413 0.25 12.07 ? 66  SER   B N   1 
ATOM   511  N N   B SER   A 1 60  ? -16.708 -18.169 -32.403 0.25 12.01 ? 66  SER   B N   1 
ATOM   512  C CA  A SER   A 1 60  ? -16.618 -19.625 -32.721 0.25 12.52 ? 66  SER   B CA  1 
ATOM   513  C CA  B SER   A 1 60  ? -16.567 -19.619 -32.698 0.25 12.40 ? 66  SER   B CA  1 
ATOM   514  C C   A SER   A 1 60  ? -15.398 -20.272 -32.041 0.25 12.38 ? 66  SER   B C   1 
ATOM   515  C C   B SER   A 1 60  ? -15.295 -20.192 -32.076 0.25 12.65 ? 66  SER   B C   1 
ATOM   516  O O   A SER   A 1 60  ? -15.240 -21.503 -32.172 0.25 12.04 ? 66  SER   B O   1 
ATOM   517  O O   B SER   A 1 60  ? -14.879 -21.276 -32.481 0.25 11.59 ? 66  SER   B O   1 
ATOM   518  C CB  A SER   A 1 60  ? -16.665 -19.853 -34.225 0.25 13.27 ? 66  SER   B CB  1 
ATOM   519  C CB  B SER   A 1 60  ? -16.540 -19.852 -34.171 0.25 12.88 ? 66  SER   B CB  1 
ATOM   520  O OG  A SER   A 1 60  ? -18.012 -19.707 -34.719 0.25 14.20 ? 66  SER   B OG  1 
ATOM   521  O OG  B SER   A 1 60  ? -15.469 -19.134 -34.729 0.25 13.51 ? 66  SER   B OG  1 
ATOM   522  N N   A SER   A 1 61  ? -14.619 -19.494 -31.282 0.25 11.90 ? 67  SER   B N   1 
ATOM   523  N N   B SER   A 1 61  ? -14.668 -19.462 -31.168 0.25 12.95 ? 67  SER   B N   1 
ATOM   524  C CA  A SER   A 1 61  ? -13.421 -19.970 -30.536 0.25 12.15 ? 67  SER   B CA  1 
ATOM   525  C CA  B SER   A 1 61  ? -13.397 -19.898 -30.548 0.25 14.05 ? 67  SER   B CA  1 
ATOM   526  C C   A SER   A 1 61  ? -13.092 -18.978 -29.413 0.25 12.64 ? 67  SER   B C   1 
ATOM   527  C C   B SER   A 1 61  ? -13.011 -18.903 -29.461 0.25 13.78 ? 67  SER   B C   1 
ATOM   528  O O   A SER   A 1 61  ? -13.686 -17.903 -29.387 0.25 13.00 ? 67  SER   B O   1 
ATOM   529  O O   B SER   A 1 61  ? -13.461 -17.737 -29.535 0.25 14.08 ? 67  SER   B O   1 
ATOM   530  C CB  A SER   A 1 61  ? -12.218 -20.113 -31.462 0.25 12.63 ? 67  SER   B CB  1 
ATOM   531  C CB  B SER   A 1 61  ? -12.304 -19.992 -31.599 0.25 15.57 ? 67  SER   B CB  1 
ATOM   532  O OG  A SER   A 1 61  ? -11.790 -18.839 -31.922 0.25 13.20 ? 67  SER   B OG  1 
ATOM   533  O OG  B SER   A 1 61  ? -11.127 -20.555 -31.051 0.25 18.65 ? 67  SER   B OG  1 
ATOM   534  N N   . GLY   A 1 62  ? -12.154 -19.330 -28.538 1.00 14.21 ? 68  GLY   B N   1 
ATOM   535  C CA  . GLY   A 1 62  ? -11.553 -18.380 -27.596 1.00 15.43 ? 68  GLY   B CA  1 
ATOM   536  C C   . GLY   A 1 62  ? -12.385 -18.087 -26.350 1.00 11.80 ? 68  GLY   B C   1 
ATOM   537  O O   . GLY   A 1 62  ? -13.397 -18.738 -26.094 1.00 13.69 ? 68  GLY   B O   1 
ATOM   538  N N   . LYS   A 1 63  ? -11.896 -17.101 -25.650 1.00 12.11 ? 69  LYS   B N   1 
ATOM   539  C CA  . LYS   A 1 63  ? -12.461 -16.596 -24.396 1.00 12.85 ? 69  LYS   B CA  1 
ATOM   540  C C   . LYS   A 1 63  ? -12.899 -15.159 -24.641 1.00 12.64 ? 69  LYS   B C   1 
ATOM   541  O O   . LYS   A 1 63  ? -12.120 -14.361 -25.161 1.00 14.33 ? 69  LYS   B O   1 
ATOM   542  C CB  . LYS   A 1 63  ? -11.410 -16.713 -23.298 1.00 14.29 ? 69  LYS   B CB  1 
ATOM   543  C CG  . LYS   A 1 63  ? -11.045 -18.146 -22.921 1.00 14.38 ? 69  LYS   B CG  1 
ATOM   544  C CD  . LYS   A 1 63  ? -9.916  -18.214 -21.869 1.00 16.85 ? 69  LYS   B CD  1 
ATOM   545  C CE  . LYS   A 1 63  ? -9.615  -19.621 -21.408 1.00 18.83 ? 69  LYS   B CE  1 
ATOM   546  N NZ  . LYS   A 1 63  ? -8.537  -19.653 -20.386 1.00 21.72 ? 69  LYS   B NZ  1 
ATOM   547  N N   . MET   A 1 64  ? -14.106 -14.822 -24.208 1.00 11.41 ? 70  MET   B N   1 
ATOM   548  C CA  . MET   A 1 64  ? -14.724 -13.496 -24.407 1.00 11.38 ? 70  MET   B CA  1 
ATOM   549  C C   . MET   A 1 64  ? -15.399 -13.048 -23.115 1.00 11.22 ? 70  MET   B C   1 
ATOM   550  O O   . MET   A 1 64  ? -15.960 -13.880 -22.401 1.00 11.97 ? 70  MET   B O   1 
ATOM   551  C CB  . MET   A 1 64  ? -15.819 -13.563 -25.456 1.00 11.83 ? 70  MET   B CB  1 
ATOM   552  C CG  . MET   A 1 64  ? -15.380 -13.727 -26.885 1.00 13.06 ? 70  MET   B CG  1 
ATOM   553  S SD  . MET   A 1 64  ? -14.653 -15.317 -27.413 1.00 14.63 ? 70  MET   B SD  1 
ATOM   554  C CE  . MET   A 1 64  ? -15.886 -16.499 -26.983 1.00 14.49 ? 70  MET   B CE  1 
ATOM   555  N N   . TYR   A 1 65  ? -15.348 -11.755 -22.833 1.00 11.45 ? 71  TYR   B N   1 
ATOM   556  C CA  . TYR   A 1 65  ? -15.952 -11.163 -21.608 1.00 11.19 ? 71  TYR   B CA  1 
ATOM   557  C C   . TYR   A 1 65  ? -16.577 -9.823  -21.967 1.00 11.55 ? 71  TYR   B C   1 
ATOM   558  O O   . TYR   A 1 65  ? -15.940 -9.009  -22.676 1.00 11.80 ? 71  TYR   B O   1 
ATOM   559  C CB  . TYR   A 1 65  ? -14.894 -10.989 -20.509 1.00 11.98 ? 71  TYR   B CB  1 
ATOM   560  C CG  . TYR   A 1 65  ? -15.409 -10.377 -19.231 1.00 11.88 ? 71  TYR   B CG  1 
ATOM   561  C CD1 . TYR   A 1 65  ? -16.139 -11.134 -18.335 1.00 12.52 ? 71  TYR   B CD1 1 
ATOM   562  C CD2 . TYR   A 1 65  ? -15.229 -9.026  -18.944 1.00 12.09 ? 71  TYR   B CD2 1 
ATOM   563  C CE1 . TYR   A 1 65  ? -16.663 -10.587 -17.167 1.00 13.07 ? 71  TYR   B CE1 1 
ATOM   564  C CE2 . TYR   A 1 65  ? -15.748 -8.470  -17.778 1.00 12.21 ? 71  TYR   B CE2 1 
ATOM   565  C CZ  . TYR   A 1 65  ? -16.462 -9.239  -16.892 1.00 12.78 ? 71  TYR   B CZ  1 
ATOM   566  O OH  . TYR   A 1 65  ? -16.991 -8.718  -15.742 1.00 14.75 ? 71  TYR   B OH  1 
ATOM   567  N N   . TRP   A 1 66  ? -17.770 -9.550  -21.461 1.00 10.30 ? 72  TRP   B N   1 
ATOM   568  C CA  . TRP   A 1 66  ? -18.367 -8.190  -21.563 1.00 10.67 ? 72  TRP   B CA  1 
ATOM   569  C C   . TRP   A 1 66  ? -19.254 -7.952  -20.341 1.00 10.56 ? 72  TRP   B C   1 
ATOM   570  O O   . TRP   A 1 66  ? -19.570 -8.884  -19.601 1.00 10.98 ? 72  TRP   B O   1 
ATOM   571  C CB  . TRP   A 1 66  ? -19.099 -8.004  -22.917 1.00 10.70 ? 72  TRP   B CB  1 
ATOM   572  C CG  . TRP   A 1 66  ? -20.262 -8.900  -23.167 1.00 10.04 ? 72  TRP   B CG  1 
ATOM   573  C CD1 . TRP   A 1 66  ? -21.590 -8.603  -22.994 1.00 10.43 ? 72  TRP   B CD1 1 
ATOM   574  C CD2 . TRP   A 1 66  ? -20.250 -10.205 -23.750 1.00 10.45 ? 72  TRP   B CD2 1 
ATOM   575  N NE1 . TRP   A 1 66  ? -22.381 -9.637  -23.395 1.00 10.55 ? 72  TRP   B NE1 1 
ATOM   576  C CE2 . TRP   A 1 66  ? -21.578 -10.655 -23.840 1.00 10.92 ? 72  TRP   B CE2 1 
ATOM   577  C CE3 . TRP   A 1 66  ? -19.228 -11.081 -24.154 1.00 11.71 ? 72  TRP   B CE3 1 
ATOM   578  C CZ2 . TRP   A 1 66  ? -21.919 -11.890 -24.351 1.00 11.22 ? 72  TRP   B CZ2 1 
ATOM   579  C CZ3 . TRP   A 1 66  ? -19.551 -12.302 -24.706 1.00 13.63 ? 72  TRP   B CZ3 1 
ATOM   580  C CH2 . TRP   A 1 66  ? -20.883 -12.718 -24.767 1.00 13.12 ? 72  TRP   B CH2 1 
ATOM   581  N N   . GLU   A 1 67  ? -19.641 -6.692  -20.176 1.00 10.71 ? 73  GLU   B N   1 
ATOM   582  C CA  . GLU   A 1 67  ? -20.500 -6.239  -19.058 1.00 10.51 ? 73  GLU   B CA  1 
ATOM   583  C C   . GLU   A 1 67  ? -21.708 -5.462  -19.562 1.00 9.84  ? 73  GLU   B C   1 
ATOM   584  O O   . GLU   A 1 67  ? -21.623 -4.746  -20.534 1.00 10.49 ? 73  GLU   B O   1 
ATOM   585  C CB  . GLU   A 1 67  ? -19.723 -5.397  -18.054 1.00 12.02 ? 73  GLU   B CB  1 
ATOM   586  C CG  . GLU   A 1 67  ? -18.639 -6.223  -17.353 1.00 14.29 ? 73  GLU   B CG  1 
ATOM   587  C CD  . GLU   A 1 67  ? -17.775 -5.461  -16.373 1.00 16.18 ? 73  GLU   B CD  1 
ATOM   588  O OE1 . GLU   A 1 67  ? -17.911 -4.194  -16.289 1.00 21.06 ? 73  GLU   B OE1 1 
ATOM   589  O OE2 . GLU   A 1 67  ? -16.920 -6.130  -15.674 1.00 15.29 ? 73  GLU   B OE2 1 
ATOM   590  N N   . VAL   A 1 68  ? -22.804 -5.635  -18.844 1.00 9.62  ? 74  VAL   B N   1 
ATOM   591  C CA  . VAL   A 1 68  ? -24.097 -5.014  -19.183 1.00 9.76  ? 74  VAL   B CA  1 
ATOM   592  C C   . VAL   A 1 68  ? -24.634 -4.351  -17.933 1.00 9.41  ? 74  VAL   B C   1 
ATOM   593  O O   . VAL   A 1 68  ? -24.766 -4.971  -16.861 1.00 10.69 ? 74  VAL   B O   1 
ATOM   594  C CB  . VAL   A 1 68  ? -25.113 -6.029  -19.739 1.00 9.81  ? 74  VAL   B CB  1 
ATOM   595  C CG1 . VAL   A 1 68  ? -26.363 -5.313  -20.173 1.00 11.00 ? 74  VAL   B CG1 1 
ATOM   596  C CG2 . VAL   A 1 68  ? -24.498 -6.882  -20.834 1.00 10.67 ? 74  VAL   B CG2 1 
ATOM   597  N N   . ASP   A 1 69  ? -25.091 -3.103  -18.098 1.00 10.04 ? 75  ASP   B N   1 
ATOM   598  C CA  . ASP   A 1 69  ? -25.758 -2.317  -17.043 1.00 10.52 ? 75  ASP   B CA  1 
ATOM   599  C C   . ASP   A 1 69  ? -27.251 -2.596  -17.092 1.00 9.22  ? 75  ASP   B C   1 
ATOM   600  O O   . ASP   A 1 69  ? -27.881 -2.438  -18.197 1.00 10.26 ? 75  ASP   B O   1 
ATOM   601  C CB  . ASP   A 1 69  ? -25.474 -0.817  -17.211 1.00 12.11 ? 75  ASP   B CB  1 
ATOM   602  C CG  . ASP   A 1 69  ? -25.837 0.012   -15.977 1.00 14.70 ? 75  ASP   B CG  1 
ATOM   603  O OD1 . ASP   A 1 69  ? -26.955 -0.014  -15.582 1.00 14.09 ? 75  ASP   B OD1 1 
ATOM   604  O OD2 . ASP   A 1 69  ? -24.914 0.448   -15.256 1.00 18.93 ? 75  ASP   B OD2 1 
ATOM   605  N N   . VAL   A 1 70  ? -27.833 -2.981  -15.956 1.00 9.60  ? 76  VAL   B N   1 
ATOM   606  C CA  . VAL   A 1 70  ? -29.277 -3.332  -15.793 1.00 10.28 ? 76  VAL   B CA  1 
ATOM   607  C C   . VAL   A 1 70  ? -29.950 -2.431  -14.741 1.00 10.53 ? 76  VAL   B C   1 
ATOM   608  O O   . VAL   A 1 70  ? -31.009 -2.783  -14.213 1.00 11.09 ? 76  VAL   B O   1 
ATOM   609  C CB  . VAL   A 1 70  ? -29.418 -4.847  -15.453 1.00 10.08 ? 76  VAL   B CB  1 
ATOM   610  C CG1 . VAL   A 1 70  ? -28.867 -5.760  -16.570 1.00 10.13 ? 76  VAL   B CG1 1 
ATOM   611  C CG2 . VAL   A 1 70  ? -28.789 -5.223  -14.122 1.00 10.68 ? 76  VAL   B CG2 1 
ATOM   612  N N   . THR   A 1 71  ? -29.327 -1.305  -14.404 1.00 10.95 ? 77  THR   B N   1 
ATOM   613  C CA  . THR   A 1 71  ? -29.822 -0.379  -13.348 1.00 11.93 ? 77  THR   B CA  1 
ATOM   614  C C   . THR   A 1 71  ? -31.323 -0.079  -13.546 1.00 11.75 ? 77  THR   B C   1 
ATOM   615  O O   . THR   A 1 71  ? -31.744 0.270   -14.656 1.00 12.37 ? 77  THR   B O   1 
ATOM   616  C CB  . THR   A 1 71  ? -29.021 0.921   -13.365 1.00 12.09 ? 77  THR   B CB  1 
ATOM   617  O OG1 . THR   A 1 71  ? -27.634 0.668   -13.112 1.00 14.47 ? 77  THR   B OG1 1 
ATOM   618  C CG2 . THR   A 1 71  ? -29.530 1.916   -12.341 1.00 15.08 ? 77  THR   B CG2 1 
ATOM   619  N N   . GLN   A 1 72  ? -32.033 -0.221  -12.439 1.00 13.90 ? 78  GLN   B N   1 
ATOM   620  C CA  . GLN   A 1 72  ? -33.475 0.074   -12.195 1.00 16.46 ? 78  GLN   B CA  1 
ATOM   621  C C   . GLN   A 1 72  ? -34.401 -0.644  -13.170 1.00 16.61 ? 78  GLN   B C   1 
ATOM   622  O O   . GLN   A 1 72  ? -35.598 -0.275  -13.260 1.00 21.21 ? 78  GLN   B O   1 
ATOM   623  C CB  . GLN   A 1 72  ? -33.708 1.578   -12.119 1.00 22.17 ? 78  GLN   B CB  1 
ATOM   624  C CG  . GLN   A 1 72  ? -33.489 2.294   -13.429 1.00 25.80 ? 78  GLN   B CG  1 
ATOM   625  C CD  . GLN   A 1 72  ? -34.653 3.183   -13.787 1.00 27.86 ? 78  GLN   B CD  1 
ATOM   626  O OE1 . GLN   A 1 72  ? -34.482 4.175   -14.495 1.00 29.25 ? 78  GLN   B OE1 1 
ATOM   627  N NE2 . GLN   A 1 72  ? -35.853 2.774   -13.385 1.00 31.60 ? 78  GLN   B NE2 1 
ATOM   628  N N   . LYS   A 1 73  ? -33.993 -1.744  -13.774 1.00 12.76 ? 79  LYS   B N   1 
ATOM   629  C CA  . LYS   A 1 73  ? -34.936 -2.591  -14.513 1.00 10.82 ? 79  LYS   B CA  1 
ATOM   630  C C   . LYS   A 1 73  ? -35.631 -3.604  -13.631 1.00 10.65 ? 79  LYS   B C   1 
ATOM   631  O O   . LYS   A 1 73  ? -35.011 -4.162  -12.679 1.00 11.87 ? 79  LYS   B O   1 
ATOM   632  C CB  . LYS   A 1 73  ? -34.189 -3.280  -15.652 1.00 11.28 ? 79  LYS   B CB  1 
ATOM   633  C CG  . LYS   A 1 73  ? -33.789 -2.285  -16.782 1.00 11.51 ? 79  LYS   B CG  1 
ATOM   634  C CD  . LYS   A 1 73  ? -33.257 -2.912  -18.053 1.00 12.01 ? 79  LYS   B CD  1 
ATOM   635  C CE  . LYS   A 1 73  ? -34.341 -3.650  -18.825 1.00 10.81 ? 79  LYS   B CE  1 
ATOM   636  N NZ  . LYS   A 1 73  ? -35.553 -2.824  -19.143 1.00 9.73  ? 79  LYS   B NZ  1 
ATOM   637  N N   . GLU   A 1 74  ? -36.870 -3.900  -13.956 1.00 9.41  ? 80  GLU   B N   1 
ATOM   638  C CA  . GLU   A 1 74  ? -37.681 -4.931  -13.273 1.00 9.13  ? 80  GLU   B CA  1 
ATOM   639  C C   . GLU   A 1 74  ? -37.595 -6.297  -13.938 1.00 9.00  ? 80  GLU   B C   1 
ATOM   640  O O   . GLU   A 1 74  ? -37.949 -7.291  -13.339 1.00 10.18 ? 80  GLU   B O   1 
ATOM   641  C CB  . GLU   A 1 74  ? -39.166 -4.530  -13.257 1.00 10.09 ? 80  GLU   B CB  1 
ATOM   642  C CG  . GLU   A 1 74  ? -39.513 -3.273  -12.492 1.00 11.42 ? 80  GLU   B CG  1 
ATOM   643  C CD  . GLU   A 1 74  ? -40.978 -2.868  -12.633 1.00 10.97 ? 80  GLU   B CD  1 
ATOM   644  O OE1 . GLU   A 1 74  ? -41.399 -2.016  -11.811 1.00 12.43 ? 80  GLU   B OE1 1 
ATOM   645  O OE2 . GLU   A 1 74  ? -41.681 -3.401  -13.515 1.00 11.77 ? 80  GLU   B OE2 1 
ATOM   646  N N   . ALA   A 1 75  ? -37.237 -6.346  -15.218 1.00 8.75  ? 81  ALA   B N   1 
ATOM   647  C CA  . ALA   A 1 75  ? -37.216 -7.600  -15.988 1.00 8.65  ? 81  ALA   B CA  1 
ATOM   648  C C   . ALA   A 1 75  ? -36.230 -7.443  -17.130 1.00 8.91  ? 81  ALA   B C   1 
ATOM   649  O O   . ALA   A 1 75  ? -36.182 -6.377  -17.802 1.00 9.18  ? 81  ALA   B O   1 
ATOM   650  C CB  . ALA   A 1 75  ? -38.587 -7.927  -16.523 1.00 9.96  ? 81  ALA   B CB  1 
ATOM   651  N N   . TRP   A 1 76  ? -35.516 -8.546  -17.423 1.00 8.69  ? 82  TRP   B N   1 
ATOM   652  C CA  . TRP   A 1 76  ? -34.546 -8.623  -18.556 1.00 8.55  ? 82  TRP   B CA  1 
ATOM   653  C C   . TRP   A 1 76  ? -34.035 -10.051 -18.637 1.00 8.36  ? 82  TRP   B C   1 
ATOM   654  O O   . TRP   A 1 76  ? -34.149 -10.820 -17.660 1.00 9.11  ? 82  TRP   B O   1 
ATOM   655  C CB  . TRP   A 1 76  ? -33.376 -7.655  -18.346 1.00 9.01  ? 82  TRP   B CB  1 
ATOM   656  C CG  . TRP   A 1 76  ? -32.710 -7.691  -17.012 1.00 9.04  ? 82  TRP   B CG  1 
ATOM   657  C CD1 . TRP   A 1 76  ? -32.902 -6.836  -15.980 1.00 9.90  ? 82  TRP   B CD1 1 
ATOM   658  C CD2 . TRP   A 1 76  ? -31.733 -8.640  -16.490 1.00 9.63  ? 82  TRP   B CD2 1 
ATOM   659  N NE1 . TRP   A 1 76  ? -32.138 -7.130  -14.901 1.00 9.72  ? 82  TRP   B NE1 1 
ATOM   660  C CE2 . TRP   A 1 76  ? -31.422 -8.280  -15.163 1.00 9.75  ? 82  TRP   B CE2 1 
ATOM   661  C CE3 . TRP   A 1 76  ? -31.095 -9.801  -17.009 1.00 10.16 ? 82  TRP   B CE3 1 
ATOM   662  C CZ2 . TRP   A 1 76  ? -30.484 -8.935  -14.371 1.00 9.97  ? 82  TRP   B CZ2 1 
ATOM   663  C CZ3 . TRP   A 1 76  ? -30.202 -10.491 -16.205 1.00 10.88 ? 82  TRP   B CZ3 1 
ATOM   664  C CH2 . TRP   A 1 76  ? -29.892 -10.045 -14.907 1.00 11.24 ? 82  TRP   B CH2 1 
ATOM   665  N N   . ASP   A 1 77  ? -33.517 -10.396 -19.798 1.00 8.26  ? 83  ASP   B N   1 
ATOM   666  C CA  . ASP   A 1 77  ? -32.742 -11.654 -20.001 1.00 8.55  ? 83  ASP   B CA  1 
ATOM   667  C C   . ASP   A 1 77  ? -31.394 -11.276 -20.587 1.00 8.20  ? 83  ASP   B C   1 
ATOM   668  O O   . ASP   A 1 77  ? -31.359 -10.396 -21.476 1.00 8.76  ? 83  ASP   B O   1 
ATOM   669  C CB  . ASP   A 1 77  ? -33.439 -12.646 -20.926 1.00 10.42 ? 83  ASP   B CB  1 
ATOM   670  C CG  . ASP   A 1 77  ? -34.928 -12.846 -20.794 1.00 11.96 ? 83  ASP   B CG  1 
ATOM   671  O OD1 . ASP   A 1 77  ? -35.333 -12.903 -19.678 1.00 16.15 ? 83  ASP   B OD1 1 
ATOM   672  O OD2 . ASP   A 1 77  ? -35.609 -13.019 -21.855 1.00 15.30 ? 83  ASP   B OD2 1 
ATOM   673  N N   . LEU   A 1 78  ? -30.318 -11.976 -20.231 1.00 7.45  ? 84  LEU   B N   1 
ATOM   674  C CA  . LEU   A 1 78  ? -28.975 -11.721 -20.762 1.00 7.99  ? 84  LEU   B CA  1 
ATOM   675  C C   . LEU   A 1 78  ? -28.254 -13.043 -20.955 1.00 7.63  ? 84  LEU   B C   1 
ATOM   676  O O   . LEU   A 1 78  ? -28.367 -13.956 -20.131 1.00 8.09  ? 84  LEU   B O   1 
ATOM   677  C CB  . LEU   A 1 78  ? -28.142 -10.861 -19.813 1.00 8.81  ? 84  LEU   B CB  1 
ATOM   678  C CG  . LEU   A 1 78  ? -28.515 -9.389  -19.698 1.00 9.82  ? 84  LEU   B CG  1 
ATOM   679  C CD1 . LEU   A 1 78  ? -27.682 -8.747  -18.599 1.00 10.74 ? 84  LEU   B CD1 1 
ATOM   680  C CD2 . LEU   A 1 78  ? -28.315 -8.693  -21.021 1.00 10.12 ? 84  LEU   B CD2 1 
ATOM   681  N N   . GLY   A 1 79  ? -27.415 -13.093 -21.989 1.00 7.25  ? 85  GLY   B N   1 
ATOM   682  C CA  . GLY   A 1 79  ? -26.447 -14.198 -22.123 1.00 7.90  ? 85  GLY   B CA  1 
ATOM   683  C C   . GLY   A 1 79  ? -25.920 -14.271 -23.539 1.00 7.60  ? 85  GLY   B C   1 
ATOM   684  O O   . GLY   A 1 79  ? -25.526 -13.249 -24.119 1.00 8.09  ? 85  GLY   B O   1 
ATOM   685  N N   A VAL   A 1 80  ? -25.856 -15.503 -24.049 0.25 7.76  ? 86  VAL   B N   1 
ATOM   686  N N   B VAL   A 1 80  ? -25.902 -15.472 -24.085 0.25 8.30  ? 86  VAL   B N   1 
ATOM   687  C CA  A VAL   A 1 80  ? -25.490 -15.810 -25.461 0.25 7.63  ? 86  VAL   B CA  1 
ATOM   688  C CA  B VAL   A 1 80  ? -25.330 -15.731 -25.431 0.25 8.46  ? 86  VAL   B CA  1 
ATOM   689  C C   A VAL   A 1 80  ? -26.493 -16.775 -26.074 0.25 8.11  ? 86  VAL   B C   1 
ATOM   690  C C   B VAL   A 1 80  ? -26.237 -16.808 -26.059 0.25 8.82  ? 86  VAL   B C   1 
ATOM   691  O O   A VAL   A 1 80  ? -27.233 -17.510 -25.384 0.25 8.28  ? 86  VAL   B O   1 
ATOM   692  O O   B VAL   A 1 80  ? -26.798 -17.583 -25.292 0.25 9.30  ? 86  VAL   B O   1 
ATOM   693  C CB  A VAL   A 1 80  ? -24.086 -16.426 -25.626 0.25 7.63  ? 86  VAL   B CB  1 
ATOM   694  C CB  B VAL   A 1 80  ? -23.839 -16.113 -25.268 0.25 9.07  ? 86  VAL   B CB  1 
ATOM   695  C CG1 A VAL   A 1 80  ? -23.042 -15.393 -25.270 0.25 7.32  ? 86  VAL   B CG1 1 
ATOM   696  C CG1 B VAL   A 1 80  ? -23.682 -17.465 -24.587 0.25 9.04  ? 86  VAL   B CG1 1 
ATOM   697  C CG2 A VAL   A 1 80  ? -23.921 -17.713 -24.820 0.25 7.46  ? 86  VAL   B CG2 1 
ATOM   698  C CG2 B VAL   A 1 80  ? -23.073 -16.030 -26.572 0.25 9.65  ? 86  VAL   B CG2 1 
ATOM   699  N N   . CYS   A 1 81  ? -26.431 -16.816 -27.392 1.00 8.59  ? 87  CYS   B N   1 
ATOM   700  C CA  . CYS   A 1 81  ? -27.246 -17.789 -28.091 1.00 9.48  ? 87  CYS   B CA  1 
ATOM   701  C C   . CYS   A 1 81  ? -26.592 -18.209 -29.394 1.00 8.83  ? 87  CYS   B C   1 
ATOM   702  O O   . CYS   A 1 81  ? -25.727 -17.528 -29.917 1.00 9.19  ? 87  CYS   B O   1 
ATOM   703  C CB  . CYS   A 1 81  ? -28.646 -17.231 -28.347 1.00 10.68 ? 87  CYS   B CB  1 
ATOM   704  S SG  . CYS   A 1 81  ? -28.731 -15.844 -29.496 1.00 10.31 ? 87  CYS   B SG  1 
ATOM   705  N N   A ARG   A 1 82  ? -27.026 -19.341 -29.907 0.25 9.24  ? 88  ARG   B N   1 
ATOM   706  N N   B ARG   A 1 82  ? -27.004 -19.368 -29.900 0.25 8.92  ? 88  ARG   B N   1 
ATOM   707  C CA  A ARG   A 1 82  ? -26.601 -19.729 -31.266 0.25 9.71  ? 88  ARG   B CA  1 
ATOM   708  C CA  B ARG   A 1 82  ? -26.576 -19.841 -31.246 0.25 9.23  ? 88  ARG   B CA  1 
ATOM   709  C C   A ARG   A 1 82  ? -27.019 -18.677 -32.288 0.25 9.36  ? 88  ARG   B C   1 
ATOM   710  C C   B ARG   A 1 82  ? -27.084 -18.869 -32.325 0.25 9.27  ? 88  ARG   B C   1 
ATOM   711  O O   A ARG   A 1 82  ? -28.052 -18.032 -32.176 0.25 8.58  ? 88  ARG   B O   1 
ATOM   712  O O   B ARG   A 1 82  ? -28.279 -18.446 -32.235 0.25 9.32  ? 88  ARG   B O   1 
ATOM   713  C CB  A ARG   A 1 82  ? -27.255 -21.047 -31.647 0.25 10.86 ? 88  ARG   B CB  1 
ATOM   714  C CB  B ARG   A 1 82  ? -27.118 -21.256 -31.492 0.25 9.70  ? 88  ARG   B CB  1 
ATOM   715  C CG  A ARG   A 1 82  ? -26.847 -22.148 -30.695 0.25 11.67 ? 88  ARG   B CG  1 
ATOM   716  C CG  B ARG   A 1 82  ? -26.419 -22.004 -32.622 0.25 9.39  ? 88  ARG   B CG  1 
ATOM   717  C CD  A ARG   A 1 82  ? -27.325 -23.488 -31.184 0.25 13.18 ? 88  ARG   B CD  1 
ATOM   718  C CD  B ARG   A 1 82  ? -26.983 -23.387 -32.893 0.25 9.95  ? 88  ARG   B CD  1 
ATOM   719  N NE  A ARG   A 1 82  ? -26.993 -24.557 -30.256 0.25 13.18 ? 88  ARG   B NE  1 
ATOM   720  N NE  B ARG   A 1 82  ? -26.860 -24.208 -31.713 0.25 9.77  ? 88  ARG   B NE  1 
ATOM   721  C CZ  A ARG   A 1 82  ? -27.817 -25.526 -29.932 0.25 13.82 ? 88  ARG   B CZ  1 
ATOM   722  C CZ  B ARG   A 1 82  ? -27.876 -24.765 -31.066 0.25 9.78  ? 88  ARG   B CZ  1 
ATOM   723  N NH1 A ARG   A 1 82  ? -29.031 -25.537 -30.446 0.25 13.85 ? 88  ARG   B NH1 1 
ATOM   724  N NH1 B ARG   A 1 82  ? -29.096 -24.735 -31.554 0.25 10.92 ? 88  ARG   B NH1 1 
ATOM   725  N NH2 A ARG   A 1 82  ? -27.426 -26.460 -29.089 0.25 15.01 ? 88  ARG   B NH2 1 
ATOM   726  N NH2 B ARG   A 1 82  ? -27.632 -25.428 -29.953 0.25 9.77  ? 88  ARG   B NH2 1 
ATOM   727  N N   . ASP   A 1 83  ? -26.253 -18.569 -33.346 1.00 10.16 ? 89  ASP   B N   1 
ATOM   728  C CA  . ASP   A 1 83  ? -26.646 -17.668 -34.441 1.00 11.48 ? 89  ASP   B CA  1 
ATOM   729  C C   . ASP   A 1 83  ? -27.956 -18.147 -35.044 1.00 11.86 ? 89  ASP   B C   1 
ATOM   730  O O   . ASP   A 1 83  ? -28.680 -17.269 -35.614 1.00 15.28 ? 89  ASP   B O   1 
ATOM   731  C CB  . ASP   A 1 83  ? -25.546 -17.608 -35.505 1.00 12.60 ? 89  ASP   B CB  1 
ATOM   732  C CG  . ASP   A 1 83  ? -25.160 -18.883 -36.194 1.00 14.85 ? 89  ASP   B CG  1 
ATOM   733  O OD1 . ASP   A 1 83  ? -25.643 -19.979 -35.799 1.00 17.07 ? 89  ASP   B OD1 1 
ATOM   734  O OD2 . ASP   A 1 83  ? -24.344 -18.738 -37.173 1.00 17.77 ? 89  ASP   B OD2 1 
ATOM   735  N N   . SER   A 1 84  ? -28.301 -19.422 -35.022 1.00 11.34 ? 90  SER   B N   1 
ATOM   736  C CA  . SER   A 1 84  ? -29.489 -19.946 -35.734 1.00 13.41 ? 90  SER   B CA  1 
ATOM   737  C C   . SER   A 1 84  ? -30.717 -20.164 -34.837 1.00 11.52 ? 90  SER   B C   1 
ATOM   738  O O   . SER   A 1 84  ? -31.634 -20.889 -35.225 1.00 13.39 ? 90  SER   B O   1 
ATOM   739  C CB  . SER   A 1 84  ? -29.140 -21.206 -36.436 1.00 16.53 ? 90  SER   B CB  1 
ATOM   740  O OG  . SER   A 1 84  ? -28.670 -22.126 -35.524 1.00 15.88 ? 90  SER   B OG  1 
ATOM   741  N N   . VAL   A 1 85  ? -30.747 -19.518 -33.672 1.00 10.73 ? 91  VAL   B N   1 
ATOM   742  C CA  . VAL   A 1 85  ? -31.981 -19.600 -32.854 1.00 10.73 ? 91  VAL   B CA  1 
ATOM   743  C C   . VAL   A 1 85  ? -33.203 -19.098 -33.644 1.00 11.19 ? 91  VAL   B C   1 
ATOM   744  O O   . VAL   A 1 85  ? -33.114 -18.172 -34.469 1.00 11.70 ? 91  VAL   B O   1 
ATOM   745  C CB  . VAL   A 1 85  ? -31.881 -18.849 -31.508 1.00 10.44 ? 91  VAL   B CB  1 
ATOM   746  C CG1 . VAL   A 1 85  ? -30.862 -19.549 -30.596 1.00 10.52 ? 91  VAL   B CG1 1 
ATOM   747  C CG2 . VAL   A 1 85  ? -31.644 -17.371 -31.660 1.00 10.47 ? 91  VAL   B CG2 1 
ATOM   748  N N   . GLN   A 1 86  ? -34.326 -19.712 -33.332 1.00 11.90 ? 92  GLN   B N   1 
ATOM   749  C CA  . GLN   A 1 86  ? -35.679 -19.262 -33.771 1.00 12.82 ? 92  GLN   B CA  1 
ATOM   750  C C   . GLN   A 1 86  ? -35.878 -17.772 -33.458 1.00 12.26 ? 92  GLN   B C   1 
ATOM   751  O O   . GLN   A 1 86  ? -35.545 -17.310 -32.377 1.00 12.94 ? 92  GLN   B O   1 
ATOM   752  C CB  . GLN   A 1 86  ? -36.696 -20.141 -33.043 1.00 15.45 ? 92  GLN   B CB  1 
ATOM   753  C CG  . GLN   A 1 86  ? -38.174 -19.845 -33.325 1.00 18.48 ? 92  GLN   B CG  1 
ATOM   754  C CD  . GLN   A 1 86  ? -39.085 -20.677 -32.436 1.00 21.37 ? 92  GLN   B CD  1 
ATOM   755  O OE1 . GLN   A 1 86  ? -38.685 -21.680 -31.813 1.00 22.78 ? 92  GLN   B OE1 1 
ATOM   756  N NE2 . GLN   A 1 86  ? -40.355 -20.305 -32.342 1.00 23.59 ? 92  GLN   B NE2 1 
ATOM   757  N N   . ARG   A 1 87  ? -36.468 -17.053 -34.410 1.00 11.80 ? 93  ARG   B N   1 
ATOM   758  C CA  . ARG   A 1 87  ? -36.768 -15.608 -34.266 1.00 11.56 ? 93  ARG   B CA  1 
ATOM   759  C C   . ARG   A 1 87  ? -38.276 -15.371 -34.110 1.00 12.10 ? 93  ARG   B C   1 
ATOM   760  O O   . ARG   A 1 87  ? -38.652 -14.351 -33.502 1.00 12.36 ? 93  ARG   B O   1 
ATOM   761  C CB  . ARG   A 1 87  ? -36.245 -14.804 -35.431 1.00 11.83 ? 93  ARG   B CB  1 
ATOM   762  C CG  . ARG   A 1 87  ? -34.783 -15.035 -35.762 1.00 11.41 ? 93  ARG   B CG  1 
ATOM   763  C CD  . ARG   A 1 87  ? -33.838 -14.766 -34.561 1.00 11.73 ? 93  ARG   B CD  1 
ATOM   764  N NE  . ARG   A 1 87  ? -32.483 -15.243 -34.870 1.00 12.93 ? 93  ARG   B NE  1 
ATOM   765  C CZ  . ARG   A 1 87  ? -31.578 -14.547 -35.495 1.00 12.56 ? 93  ARG   B CZ  1 
ATOM   766  N NH1 . ARG   A 1 87  ? -31.821 -13.313 -35.866 1.00 14.28 ? 93  ARG   B NH1 1 
ATOM   767  N NH2 . ARG   A 1 87  ? -30.413 -15.084 -35.813 1.00 14.92 ? 93  ARG   B NH2 1 
ATOM   768  N N   . LYS   A 1 88  ? -39.136 -16.213 -34.689 1.00 12.42 ? 94  LYS   B N   1 
ATOM   769  C CA  . LYS   A 1 88  ? -40.587 -15.912 -34.848 1.00 12.92 ? 94  LYS   B CA  1 
ATOM   770  C C   . LYS   A 1 88  ? -41.402 -16.787 -33.932 1.00 13.96 ? 94  LYS   B C   1 
ATOM   771  O O   . LYS   A 1 88  ? -41.052 -17.993 -33.778 1.00 16.48 ? 94  LYS   B O   1 
ATOM   772  C CB  . LYS   A 1 88  ? -40.996 -16.115 -36.308 1.00 13.52 ? 94  LYS   B CB  1 
ATOM   773  C CG  . LYS   A 1 88  ? -40.187 -15.348 -37.315 1.00 14.25 ? 94  LYS   B CG  1 
ATOM   774  C CD  . LYS   A 1 88  ? -40.135 -13.846 -37.073 1.00 14.75 ? 94  LYS   B CD  1 
ATOM   775  C CE  . LYS   A 1 88  ? -39.347 -13.185 -38.156 1.00 14.57 ? 94  LYS   B CE  1 
ATOM   776  N NZ  . LYS   A 1 88  ? -39.309 -11.706 -38.031 1.00 14.99 ? 94  LYS   B NZ  1 
ATOM   777  N N   . GLY   A 1 89  ? -42.464 -16.250 -33.367 1.00 14.63 ? 95  GLY   B N   1 
ATOM   778  C CA  . GLY   A 1 89  ? -43.349 -17.034 -32.507 1.00 15.17 ? 95  GLY   B CA  1 
ATOM   779  C C   . GLY   A 1 89  ? -42.839 -17.178 -31.080 1.00 16.81 ? 95  GLY   B C   1 
ATOM   780  O O   . GLY   A 1 89  ? -41.842 -16.469 -30.677 1.00 16.17 ? 95  GLY   B O   1 
ATOM   781  N N   . GLN   A 1 90  ? -43.478 -18.074 -30.349 1.00 17.65 ? 96  GLN   B N   1 
ATOM   782  C CA  . GLN   A 1 90  ? -43.208 -18.294 -28.925 1.00 19.42 ? 96  GLN   B CA  1 
ATOM   783  C C   . GLN   A 1 90  ? -42.178 -19.405 -28.773 1.00 18.44 ? 96  GLN   B C   1 
ATOM   784  O O   . GLN   A 1 90  ? -42.118 -20.314 -29.602 1.00 19.27 ? 96  GLN   B O   1 
ATOM   785  C CB  . GLN   A 1 90  ? -44.507 -18.686 -28.216 1.00 24.03 ? 96  GLN   B CB  1 
ATOM   786  C CG  . GLN   A 1 90  ? -45.400 -17.482 -27.999 1.00 31.60 ? 96  GLN   B CG  1 
ATOM   787  C CD  . GLN   A 1 90  ? -46.787 -17.914 -27.622 1.00 39.66 ? 96  GLN   B CD  1 
ATOM   788  O OE1 . GLN   A 1 90  ? -47.219 -17.709 -26.491 1.00 49.98 ? 96  GLN   B OE1 1 
ATOM   789  N NE2 . GLN   A 1 90  ? -47.473 -18.533 -28.573 1.00 46.81 ? 96  GLN   B NE2 1 
ATOM   790  N N   . PHE   A 1 91  ? -41.282 -19.228 -27.812 1.00 15.82 ? 97  PHE   B N   1 
ATOM   791  C CA  . PHE   A 1 91  ? -40.252 -20.230 -27.464 1.00 15.24 ? 97  PHE   B CA  1 
ATOM   792  C C   . PHE   A 1 91  ? -39.732 -19.952 -26.057 1.00 14.84 ? 97  PHE   B C   1 
ATOM   793  O O   . PHE   A 1 91  ? -39.882 -18.846 -25.535 1.00 16.18 ? 97  PHE   B O   1 
ATOM   794  C CB  . PHE   A 1 91  ? -39.108 -20.223 -28.480 1.00 14.84 ? 97  PHE   B CB  1 
ATOM   795  C CG  . PHE   A 1 91  ? -38.460 -18.865 -28.631 1.00 14.10 ? 97  PHE   B CG  1 
ATOM   796  C CD1 . PHE   A 1 91  ? -37.426 -18.460 -27.783 1.00 14.40 ? 97  PHE   B CD1 1 
ATOM   797  C CD2 . PHE   A 1 91  ? -38.815 -18.007 -29.654 1.00 14.40 ? 97  PHE   B CD2 1 
ATOM   798  C CE1 . PHE   A 1 91  ? -36.803 -17.232 -27.929 1.00 13.86 ? 97  PHE   B CE1 1 
ATOM   799  C CE2 . PHE   A 1 91  ? -38.204 -16.768 -29.793 1.00 13.73 ? 97  PHE   B CE2 1 
ATOM   800  C CZ  . PHE   A 1 91  ? -37.188 -16.399 -28.938 1.00 13.59 ? 97  PHE   B CZ  1 
ATOM   801  N N   A SER   A 1 92  ? -39.156 -20.971 -25.415 0.25 15.35 ? 98  SER   B N   1 
ATOM   802  N N   B SER   A 1 92  ? -39.126 -20.991 -25.478 0.25 14.55 ? 98  SER   B N   1 
ATOM   803  C CA  A SER   A 1 92  ? -38.514 -20.818 -24.084 0.25 15.40 ? 98  SER   B CA  1 
ATOM   804  C CA  B SER   A 1 92  ? -38.456 -20.957 -24.157 0.25 14.38 ? 98  SER   B CA  1 
ATOM   805  C C   A SER   A 1 92  ? -37.000 -20.715 -24.264 0.25 14.04 ? 98  SER   B C   1 
ATOM   806  C C   B SER   A 1 92  ? -36.971 -20.636 -24.355 0.25 13.30 ? 98  SER   B C   1 
ATOM   807  O O   A SER   A 1 92  ? -36.426 -21.379 -25.154 0.25 13.71 ? 98  SER   B O   1 
ATOM   808  O O   B SER   A 1 92  ? -36.377 -21.023 -25.409 0.25 12.81 ? 98  SER   B O   1 
ATOM   809  C CB  A SER   A 1 92  ? -38.848 -21.937 -23.149 0.25 17.52 ? 98  SER   B CB  1 
ATOM   810  C CB  B SER   A 1 92  ? -38.642 -22.260 -23.420 0.25 15.29 ? 98  SER   B CB  1 
ATOM   811  O OG  A SER   A 1 92  ? -38.471 -23.173 -23.727 0.25 20.24 ? 98  SER   B OG  1 
ATOM   812  O OG  B SER   A 1 92  ? -40.018 -22.467 -23.105 0.25 16.44 ? 98  SER   B OG  1 
ATOM   813  N N   . LEU   A 1 93  ? -36.387 -19.938 -23.386 1.00 12.66 ? 99  LEU   B N   1 
ATOM   814  C CA  . LEU   A 1 93  ? -34.936 -19.787 -23.331 1.00 13.14 ? 99  LEU   B CA  1 
ATOM   815  C C   . LEU   A 1 93  ? -34.345 -20.977 -22.620 1.00 13.05 ? 99  LEU   B C   1 
ATOM   816  O O   . LEU   A 1 93  ? -34.456 -21.123 -21.414 1.00 14.97 ? 99  LEU   B O   1 
ATOM   817  C CB  . LEU   A 1 93  ? -34.561 -18.500 -22.614 1.00 14.26 ? 99  LEU   B CB  1 
ATOM   818  C CG  . LEU   A 1 93  ? -35.091 -17.229 -23.256 1.00 14.38 ? 99  LEU   B CG  1 
ATOM   819  C CD1 . LEU   A 1 93  ? -34.722 -16.014 -22.391 1.00 15.05 ? 99  LEU   B CD1 1 
ATOM   820  C CD2 . LEU   A 1 93  ? -34.615 -17.045 -24.680 1.00 15.72 ? 99  LEU   B CD2 1 
ATOM   821  N N   . SER   A 1 94  ? -33.677 -21.862 -23.366 1.00 11.84 ? 100 SER   B N   1 
ATOM   822  C CA  . SER   A 1 94  ? -33.106 -23.115 -22.834 1.00 12.10 ? 100 SER   B CA  1 
ATOM   823  C C   . SER   A 1 94  ? -31.886 -23.464 -23.672 1.00 10.62 ? 100 SER   B C   1 
ATOM   824  O O   . SER   A 1 94  ? -31.879 -23.152 -24.871 1.00 10.87 ? 100 SER   B O   1 
ATOM   825  C CB  . SER   A 1 94  ? -34.086 -24.296 -22.845 1.00 13.87 ? 100 SER   B CB  1 
ATOM   826  O OG  . SER   A 1 94  ? -34.433 -24.611 -24.182 1.00 16.88 ? 100 SER   B OG  1 
ATOM   827  N N   . PRO   A 1 95  ? -30.973 -24.275 -23.156 1.00 10.57 ? 101 PRO   B N   1 
ATOM   828  C CA  . PRO   A 1 95  ? -29.874 -24.770 -23.992 1.00 12.24 ? 101 PRO   B CA  1 
ATOM   829  C C   . PRO   A 1 95  ? -30.377 -25.653 -25.127 1.00 11.80 ? 101 PRO   B C   1 
ATOM   830  O O   . PRO   A 1 95  ? -29.795 -25.533 -26.241 1.00 11.96 ? 101 PRO   B O   1 
ATOM   831  C CB  . PRO   A 1 95  ? -28.972 -25.559 -23.012 1.00 12.36 ? 101 PRO   B CB  1 
ATOM   832  C CG  . PRO   A 1 95  ? -29.250 -24.824 -21.687 1.00 13.19 ? 101 PRO   B CG  1 
ATOM   833  C CD  . PRO   A 1 95  ? -30.731 -24.545 -21.733 1.00 12.64 ? 101 PRO   B CD  1 
ATOM   834  N N   . GLU   A 1 96  ? -31.453 -26.399 -24.935 1.00 12.38 ? 102 GLU   B N   1 
ATOM   835  C CA  . GLU   A 1 96  ? -32.033 -27.218 -26.027 1.00 15.23 ? 102 GLU   B CA  1 
ATOM   836  C C   . GLU   A 1 96  ? -32.438 -26.320 -27.197 1.00 14.45 ? 102 GLU   B C   1 
ATOM   837  O O   . GLU   A 1 96  ? -32.408 -26.773 -28.366 1.00 15.30 ? 102 GLU   B O   1 
ATOM   838  C CB  . GLU   A 1 96  ? -33.205 -28.028 -25.488 1.00 19.87 ? 102 GLU   B CB  1 
ATOM   839  C CG  . GLU   A 1 96  ? -32.846 -28.867 -24.281 1.00 27.99 ? 102 GLU   B CG  1 
ATOM   840  C CD  . GLU   A 1 96  ? -33.241 -28.293 -22.923 1.00 32.89 ? 102 GLU   B CD  1 
ATOM   841  O OE1 . GLU   A 1 96  ? -32.439 -27.498 -22.314 1.00 21.54 ? 102 GLU   B OE1 1 
ATOM   842  O OE2 . GLU   A 1 96  ? -34.363 -28.674 -22.454 1.00 41.89 ? 102 GLU   B OE2 1 
ATOM   843  N N   . ASN   A 1 97  ? -32.894 -25.093 -26.953 1.00 12.02 ? 103 ASN   B N   1 
ATOM   844  C CA  . ASN   A 1 97  ? -33.294 -24.140 -28.008 1.00 12.61 ? 103 ASN   B CA  1 
ATOM   845  C C   . ASN   A 1 97  ? -32.137 -23.229 -28.420 1.00 11.03 ? 103 ASN   B C   1 
ATOM   846  O O   . ASN   A 1 97  ? -32.330 -22.361 -29.274 1.00 11.89 ? 103 ASN   B O   1 
ATOM   847  C CB  . ASN   A 1 97  ? -34.500 -23.306 -27.563 1.00 13.25 ? 103 ASN   B CB  1 
ATOM   848  C CG  . ASN   A 1 97  ? -35.792 -24.079 -27.549 1.00 15.63 ? 103 ASN   B CG  1 
ATOM   849  O OD1 . ASN   A 1 97  ? -35.902 -25.173 -28.141 1.00 18.28 ? 103 ASN   B OD1 1 
ATOM   850  N ND2 . ASN   A 1 97  ? -36.768 -23.580 -26.796 1.00 16.71 ? 103 ASN   B ND2 1 
ATOM   851  N N   . GLY   A 1 98  ? -30.927 -23.426 -27.901 1.00 10.20 ? 104 GLY   B N   1 
ATOM   852  C CA  . GLY   A 1 98  ? -29.749 -22.660 -28.311 1.00 9.97  ? 104 GLY   B CA  1 
ATOM   853  C C   . GLY   A 1 98  ? -29.479 -21.371 -27.543 1.00 8.54  ? 104 GLY   B C   1 
ATOM   854  O O   . GLY   A 1 98  ? -28.840 -20.485 -28.044 1.00 9.50  ? 104 GLY   B O   1 
ATOM   855  N N   . PHE   A 1 99  ? -29.939 -21.329 -26.265 1.00 9.09  ? 105 PHE   B N   1 
ATOM   856  C CA  . PHE   A 1 99  ? -29.740 -20.143 -25.385 1.00 8.88  ? 105 PHE   B CA  1 
ATOM   857  C C   . PHE   A 1 99  ? -29.051 -20.504 -24.074 1.00 8.38  ? 105 PHE   B C   1 
ATOM   858  O O   . PHE   A 1 99  ? -29.498 -21.500 -23.459 1.00 9.78  ? 105 PHE   B O   1 
ATOM   859  C CB  . PHE   A 1 99  ? -31.081 -19.490 -25.031 1.00 9.42  ? 105 PHE   B CB  1 
ATOM   860  C CG  . PHE   A 1 99  ? -31.864 -18.972 -26.220 1.00 9.39  ? 105 PHE   B CG  1 
ATOM   861  C CD1 . PHE   A 1 99  ? -32.795 -19.768 -26.878 1.00 10.03 ? 105 PHE   B CD1 1 
ATOM   862  C CD2 . PHE   A 1 99  ? -31.743 -17.671 -26.655 1.00 9.82  ? 105 PHE   B CD2 1 
ATOM   863  C CE1 . PHE   A 1 99  ? -33.527 -19.299 -27.972 1.00 10.43 ? 105 PHE   B CE1 1 
ATOM   864  C CE2 . PHE   A 1 99  ? -32.471 -17.213 -27.734 1.00 10.90 ? 105 PHE   B CE2 1 
ATOM   865  C CZ  . PHE   A 1 99  ? -33.374 -18.010 -28.366 1.00 9.81  ? 105 PHE   B CZ  1 
ATOM   866  N N   . TRP   A 1 100 ? -28.094 -19.693 -23.653 1.00 7.98  ? 106 TRP   B N   1 
ATOM   867  C CA  . TRP   A 1 100 ? -27.416 -19.791 -22.336 1.00 8.06  ? 106 TRP   B CA  1 
ATOM   868  C C   . TRP   A 1 100 ? -27.574 -18.430 -21.679 1.00 7.39  ? 106 TRP   B C   1 
ATOM   869  O O   . TRP   A 1 100 ? -26.834 -17.505 -21.974 1.00 8.51  ? 106 TRP   B O   1 
ATOM   870  C CB  . TRP   A 1 100 ? -25.959 -20.243 -22.484 1.00 8.43  ? 106 TRP   B CB  1 
ATOM   871  C CG  . TRP   A 1 100 ? -25.867 -21.609 -23.106 1.00 8.45  ? 106 TRP   B CG  1 
ATOM   872  C CD1 . TRP   A 1 100 ? -25.806 -22.821 -22.465 1.00 9.85  ? 106 TRP   B CD1 1 
ATOM   873  C CD2 . TRP   A 1 100 ? -25.912 -21.939 -24.525 1.00 9.06  ? 106 TRP   B CD2 1 
ATOM   874  N NE1 . TRP   A 1 100 ? -25.838 -23.865 -23.382 1.00 9.52  ? 106 TRP   B NE1 1 
ATOM   875  C CE2 . TRP   A 1 100 ? -25.897 -23.343 -24.635 1.00 9.81  ? 106 TRP   B CE2 1 
ATOM   876  C CE3 . TRP   A 1 100 ? -25.967 -21.171 -25.701 1.00 9.23  ? 106 TRP   B CE3 1 
ATOM   877  C CZ2 . TRP   A 1 100 ? -25.957 -23.979 -25.889 1.00 11.06 ? 106 TRP   B CZ2 1 
ATOM   878  C CZ3 . TRP   A 1 100 ? -26.023 -21.817 -26.926 1.00 10.51 ? 106 TRP   B CZ3 1 
ATOM   879  C CH2 . TRP   A 1 100 ? -26.033 -23.178 -26.995 1.00 11.56 ? 106 TRP   B CH2 1 
ATOM   880  N N   . THR   A 1 101 ? -28.557 -18.326 -20.772 1.00 7.71  ? 107 THR   B N   1 
ATOM   881  C CA  . THR   A 1 101 ? -29.077 -17.022 -20.279 1.00 7.83  ? 107 THR   B CA  1 
ATOM   882  C C   . THR   A 1 101 ? -29.394 -17.102 -18.777 1.00 7.60  ? 107 THR   B C   1 
ATOM   883  O O   . THR   A 1 101 ? -29.677 -18.174 -18.245 1.00 8.24  ? 107 THR   B O   1 
ATOM   884  C CB  . THR   A 1 101 ? -30.322 -16.580 -21.050 1.00 8.41  ? 107 THR   B CB  1 
ATOM   885  O OG1 . THR   A 1 101 ? -31.399 -17.470 -20.842 1.00 9.35  ? 107 THR   B OG1 1 
ATOM   886  C CG2 . THR   A 1 101 ? -30.032 -16.345 -22.522 1.00 8.63  ? 107 THR   B CG2 1 
ATOM   887  N N   . ILE   A 1 102 ? -29.438 -15.905 -18.193 1.00 8.03  ? 108 ILE   B N   1 
ATOM   888  C CA  . ILE   A 1 102 ? -30.077 -15.689 -16.851 1.00 8.22  ? 108 ILE   B CA  1 
ATOM   889  C C   . ILE   A 1 102 ? -31.078 -14.571 -17.025 1.00 8.26  ? 108 ILE   B C   1 
ATOM   890  O O   . ILE   A 1 102 ? -31.023 -13.778 -18.018 1.00 8.72  ? 108 ILE   B O   1 
ATOM   891  C CB  . ILE   A 1 102 ? -29.056 -15.394 -15.724 1.00 8.66  ? 108 ILE   B CB  1 
ATOM   892  C CG1 . ILE   A 1 102 ? -28.356 -14.052 -15.918 1.00 9.48  ? 108 ILE   B CG1 1 
ATOM   893  C CG2 . ILE   A 1 102 ? -28.058 -16.560 -15.626 1.00 9.07  ? 108 ILE   B CG2 1 
ATOM   894  C CD1 . ILE   A 1 102 ? -27.526 -13.586 -14.732 1.00 10.06 ? 108 ILE   B CD1 1 
ATOM   895  N N   . TRP   A 1 103 ? -31.952 -14.434 -16.042 1.00 8.36  ? 109 TRP   B N   1 
ATOM   896  C CA  . TRP   A 1 103 ? -32.972 -13.362 -16.086 1.00 8.84  ? 109 TRP   B CA  1 
ATOM   897  C C   . TRP   A 1 103 ? -33.337 -12.877 -14.713 1.00 8.85  ? 109 TRP   B C   1 
ATOM   898  O O   . TRP   A 1 103 ? -33.172 -13.572 -13.680 1.00 9.37  ? 109 TRP   B O   1 
ATOM   899  C CB  . TRP   A 1 103 ? -34.173 -13.760 -16.871 1.00 11.19 ? 109 TRP   B CB  1 
ATOM   900  C CG  . TRP   A 1 103 ? -34.925 -14.899 -16.371 1.00 13.06 ? 109 TRP   B CG  1 
ATOM   901  C CD1 . TRP   A 1 103 ? -35.771 -14.914 -15.307 1.00 13.90 ? 109 TRP   B CD1 1 
ATOM   902  C CD2 . TRP   A 1 103 ? -35.047 -16.153 -17.033 1.00 13.46 ? 109 TRP   B CD2 1 
ATOM   903  N NE1 . TRP   A 1 103 ? -36.407 -16.120 -15.263 1.00 16.46 ? 109 TRP   B NE1 1 
ATOM   904  C CE2 . TRP   A 1 103 ? -35.998 -16.905 -16.304 1.00 14.59 ? 109 TRP   B CE2 1 
ATOM   905  C CE3 . TRP   A 1 103 ? -34.482 -16.710 -18.167 1.00 15.57 ? 109 TRP   B CE3 1 
ATOM   906  C CZ2 . TRP   A 1 103 ? -36.356 -18.214 -16.647 1.00 17.63 ? 109 TRP   B CZ2 1 
ATOM   907  C CZ3 . TRP   A 1 103 ? -34.847 -17.985 -18.514 1.00 16.36 ? 109 TRP   B CZ3 1 
ATOM   908  C CH2 . TRP   A 1 103 ? -35.773 -18.709 -17.782 1.00 16.53 ? 109 TRP   B CH2 1 
ATOM   909  N N   . LEU   A 1 104 ? -33.960 -11.685 -14.712 1.00 8.72  ? 110 LEU   B N   1 
ATOM   910  C CA  . LEU   A 1 104 ? -34.728 -11.116 -13.581 1.00 9.09  ? 110 LEU   B CA  1 
ATOM   911  C C   . LEU   A 1 104 ? -36.178 -11.101 -14.009 1.00 8.95  ? 110 LEU   B C   1 
ATOM   912  O O   . LEU   A 1 104 ? -36.496 -10.608 -15.100 1.00 9.24  ? 110 LEU   B O   1 
ATOM   913  C CB  . LEU   A 1 104 ? -34.274 -9.708  -13.288 1.00 9.85  ? 110 LEU   B CB  1 
ATOM   914  C CG  . LEU   A 1 104 ? -35.124 -8.948  -12.274 1.00 10.50 ? 110 LEU   B CG  1 
ATOM   915  C CD1 . LEU   A 1 104 ? -35.142 -9.634  -10.907 1.00 10.94 ? 110 LEU   B CD1 1 
ATOM   916  C CD2 . LEU   A 1 104 ? -34.644 -7.509  -12.143 1.00 12.01 ? 110 LEU   B CD2 1 
ATOM   917  N N   . TRP   A 1 105 ? -37.085 -11.559 -13.136 1.00 10.28 ? 111 TRP   B N   1 
ATOM   918  C CA  . TRP   A 1 105 ? -38.528 -11.547 -13.395 1.00 11.17 ? 111 TRP   B CA  1 
ATOM   919  C C   . TRP   A 1 105 ? -39.248 -11.601 -12.056 1.00 12.63 ? 111 TRP   B C   1 
ATOM   920  O O   . TRP   A 1 105 ? -38.970 -12.503 -11.230 1.00 12.97 ? 111 TRP   B O   1 
ATOM   921  C CB  . TRP   A 1 105 ? -38.866 -12.750 -14.247 1.00 14.97 ? 111 TRP   B CB  1 
ATOM   922  C CG  . TRP   A 1 105 ? -40.302 -13.045 -14.318 1.00 19.19 ? 111 TRP   B CG  1 
ATOM   923  C CD1 . TRP   A 1 105 ? -41.044 -14.069 -13.775 1.00 20.91 ? 111 TRP   B CD1 1 
ATOM   924  C CD2 . TRP   A 1 105 ? -41.159 -12.246 -15.101 1.00 19.86 ? 111 TRP   B CD2 1 
ATOM   925  N NE1 . TRP   A 1 105 ? -42.331 -13.925 -14.173 1.00 21.90 ? 111 TRP   B NE1 1 
ATOM   926  C CE2 . TRP   A 1 105 ? -42.438 -12.825 -14.989 1.00 18.63 ? 111 TRP   B CE2 1 
ATOM   927  C CE3 . TRP   A 1 105 ? -40.979 -11.116 -15.900 1.00 18.85 ? 111 TRP   B CE3 1 
ATOM   928  C CZ2 . TRP   A 1 105 ? -43.549 -12.286 -15.619 1.00 26.11 ? 111 TRP   B CZ2 1 
ATOM   929  C CZ3 . TRP   A 1 105 ? -42.087 -10.576 -16.518 1.00 25.86 ? 111 TRP   B CZ3 1 
ATOM   930  C CH2 . TRP   A 1 105 ? -43.354 -11.146 -16.371 1.00 24.98 ? 111 TRP   B CH2 1 
ATOM   931  N N   . GLN   A 1 106 ? -40.137 -10.628 -11.788 1.00 11.78 ? 112 GLN   B N   1 
ATOM   932  C CA  . GLN   A 1 106 ? -40.991 -10.676 -10.565 1.00 11.94 ? 112 GLN   B CA  1 
ATOM   933  C C   . GLN   A 1 106 ? -40.104 -10.857 -9.358  1.00 13.36 ? 112 GLN   B C   1 
ATOM   934  O O   . GLN   A 1 106 ? -40.456 -11.719 -8.461  1.00 15.02 ? 112 GLN   B O   1 
ATOM   935  C CB  . GLN   A 1 106 ? -42.092 -11.718 -10.701 1.00 13.57 ? 112 GLN   B CB  1 
ATOM   936  C CG  . GLN   A 1 106 ? -43.016 -11.382 -11.847 1.00 15.21 ? 112 GLN   B CG  1 
ATOM   937  C CD  . GLN   A 1 106 ? -44.272 -12.215 -11.902 1.00 16.20 ? 112 GLN   B CD  1 
ATOM   938  O OE1 . GLN   A 1 106 ? -45.220 -11.855 -12.615 1.00 19.52 ? 112 GLN   B OE1 1 
ATOM   939  N NE2 . GLN   A 1 106 ? -44.323 -13.299 -11.133 1.00 15.28 ? 112 GLN   B NE2 1 
ATOM   940  N N   . ASP   A 1 107 ? -39.087 -10.045 -9.223  1.00 13.75 ? 113 ASP   B N   1 
ATOM   941  C CA  . ASP   A 1 107 ? -38.319 -9.924  -7.984  1.00 17.22 ? 113 ASP   B CA  1 
ATOM   942  C C   . ASP   A 1 107 ? -37.489 -11.187 -7.703  1.00 18.69 ? 113 ASP   B C   1 
ATOM   943  O O   . ASP   A 1 107 ? -36.904 -11.239 -6.585  1.00 25.91 ? 113 ASP   B O   1 
ATOM   944  C CB  . ASP   A 1 107 ? -39.311 -9.621  -6.856  1.00 19.75 ? 113 ASP   B CB  1 
ATOM   945  C CG  . ASP   A 1 107 ? -38.667 -9.051  -5.638  1.00 25.64 ? 113 ASP   B CG  1 
ATOM   946  O OD1 . ASP   A 1 107 ? -37.733 -8.218  -5.776  1.00 28.66 ? 113 ASP   B OD1 1 
ATOM   947  O OD2 . ASP   A 1 107 ? -39.146 -9.425  -4.539  1.00 30.05 ? 113 ASP   B OD2 1 
ATOM   948  N N   . SER   A 1 108 ? -37.302 -12.092 -8.667  1.00 14.02 ? 114 SER   B N   1 
ATOM   949  C CA  . SER   A 1 108 ? -36.377 -13.252 -8.507  1.00 15.42 ? 114 SER   B CA  1 
ATOM   950  C C   . SER   A 1 108 ? -35.489 -13.371 -9.745  1.00 12.93 ? 114 SER   B C   1 
ATOM   951  O O   . SER   A 1 108 ? -35.893 -13.056 -10.917 1.00 13.19 ? 114 SER   B O   1 
ATOM   952  C CB  . SER   A 1 108 ? -37.154 -14.486 -8.095  1.00 18.28 ? 114 SER   B CB  1 
ATOM   953  O OG  . SER   A 1 108 ? -37.854 -15.042 -9.159  1.00 25.74 ? 114 SER   B OG  1 
ATOM   954  N N   . TYR   A 1 109 ? -34.316 -13.915 -9.514  1.00 11.26 ? 115 TYR   B N   1 
ATOM   955  C CA  . TYR   A 1 109 ? -33.297 -14.207 -10.548 1.00 10.83 ? 115 TYR   B CA  1 
ATOM   956  C C   . TYR   A 1 109 ? -33.265 -15.702 -10.816 1.00 10.33 ? 115 TYR   B C   1 
ATOM   957  O O   . TYR   A 1 109 ? -33.275 -16.510 -9.838  1.00 11.39 ? 115 TYR   B O   1 
ATOM   958  C CB  . TYR   A 1 109 ? -31.942 -13.691 -10.105 1.00 11.07 ? 115 TYR   B CB  1 
ATOM   959  C CG  . TYR   A 1 109 ? -31.857 -12.192 -9.884  1.00 11.29 ? 115 TYR   B CG  1 
ATOM   960  C CD1 . TYR   A 1 109 ? -32.097 -11.649 -8.627  1.00 11.59 ? 115 TYR   B CD1 1 
ATOM   961  C CD2 . TYR   A 1 109 ? -31.514 -11.326 -10.910 1.00 10.78 ? 115 TYR   B CD2 1 
ATOM   962  C CE1 . TYR   A 1 109 ? -32.026 -10.277 -8.425  1.00 12.59 ? 115 TYR   B CE1 1 
ATOM   963  C CE2 . TYR   A 1 109 ? -31.442 -9.959  -10.716 1.00 11.30 ? 115 TYR   B CE2 1 
ATOM   964  C CZ  . TYR   A 1 109 ? -31.677 -9.438  -9.457  1.00 11.58 ? 115 TYR   B CZ  1 
ATOM   965  O OH  . TYR   A 1 109 ? -31.661 -8.087  -9.195  1.00 12.59 ? 115 TYR   B OH  1 
ATOM   966  N N   A GLU   A 1 110 ? -33.230 -16.101 -12.095 0.25 9.81  ? 116 GLU   B N   1 
ATOM   967  N N   B GLU   A 1 110 ? -33.279 -16.094 -12.098 0.25 9.99  ? 116 GLU   B N   1 
ATOM   968  C CA  A GLU   A 1 110 ? -33.233 -17.536 -12.479 0.25 10.10 ? 116 GLU   B CA  1 
ATOM   969  C CA  B GLU   A 1 110 ? -33.263 -17.516 -12.529 0.25 10.39 ? 116 GLU   B CA  1 
ATOM   970  C C   A GLU   A 1 110 ? -32.312 -17.767 -13.679 0.25 9.01  ? 116 GLU   B C   1 
ATOM   971  C C   B GLU   A 1 110 ? -32.186 -17.698 -13.607 0.25 8.92  ? 116 GLU   B C   1 
ATOM   972  O O   A GLU   A 1 110 ? -32.241 -16.932 -14.578 0.25 8.72  ? 116 GLU   B O   1 
ATOM   973  O O   B GLU   A 1 110 ? -31.835 -16.718 -14.326 0.25 8.20  ? 116 GLU   B O   1 
ATOM   974  C CB  A GLU   A 1 110 ? -34.646 -18.010 -12.796 0.25 11.23 ? 116 GLU   B CB  1 
ATOM   975  C CB  B GLU   A 1 110 ? -34.640 -17.939 -13.042 0.25 11.99 ? 116 GLU   B CB  1 
ATOM   976  C CG  A GLU   A 1 110 ? -35.623 -17.905 -11.623 0.25 12.98 ? 116 GLU   B CG  1 
ATOM   977  C CG  B GLU   A 1 110 ? -35.767 -17.807 -12.016 0.25 14.61 ? 116 GLU   B CG  1 
ATOM   978  C CD  A GLU   A 1 110 ? -37.034 -18.307 -12.015 0.25 14.17 ? 116 GLU   B CD  1 
ATOM   979  C CD  B GLU   A 1 110 ? -35.968 -19.013 -11.110 0.25 15.57 ? 116 GLU   B CD  1 
ATOM   980  O OE1 A GLU   A 1 110 ? -37.460 -17.952 -13.122 0.25 16.49 ? 116 GLU   B OE1 1 
ATOM   981  O OE1 B GLU   A 1 110 ? -35.489 -20.114 -11.452 0.25 19.83 ? 116 GLU   B OE1 1 
ATOM   982  O OE2 A GLU   A 1 110 ? -37.696 -19.001 -11.224 0.25 15.12 ? 116 GLU   B OE2 1 
ATOM   983  O OE2 B GLU   A 1 110 ? -36.658 -18.850 -10.084 0.25 20.53 ? 116 GLU   B OE2 1 
ATOM   984  N N   . ALA   A 1 111 ? -31.674 -18.935 -13.719 1.00 9.10  ? 117 ALA   B N   1 
ATOM   985  C CA  . ALA   A 1 111 ? -30.921 -19.358 -14.906 1.00 9.26  ? 117 ALA   B CA  1 
ATOM   986  C C   . ALA   A 1 111 ? -31.871 -20.097 -15.835 1.00 9.29  ? 117 ALA   B C   1 
ATOM   987  O O   . ALA   A 1 111 ? -32.730 -20.900 -15.417 1.00 9.64  ? 117 ALA   B O   1 
ATOM   988  C CB  . ALA   A 1 111 ? -29.749 -20.259 -14.536 1.00 9.17  ? 117 ALA   B CB  1 
ATOM   989  N N   . GLY   A 1 112 ? -31.690 -19.836 -17.147 1.00 9.51  ? 118 GLY   B N   1 
ATOM   990  C CA  . GLY   A 1 112 ? -32.491 -20.417 -18.236 1.00 10.79 ? 118 GLY   B CA  1 
ATOM   991  C C   . GLY   A 1 112 ? -32.127 -21.837 -18.571 1.00 10.80 ? 118 GLY   B C   1 
ATOM   992  O O   . GLY   A 1 112 ? -31.856 -22.180 -19.693 1.00 13.39 ? 118 GLY   B O   1 
ATOM   993  N N   . THR   A 1 113 ? -32.078 -22.729 -17.606 1.00 12.66 ? 119 THR   B N   1 
ATOM   994  C CA  . THR   A 1 113 ? -32.113 -24.182 -17.818 1.00 13.57 ? 119 THR   B CA  1 
ATOM   995  C C   . THR   A 1 113 ? -33.543 -24.625 -18.053 1.00 14.06 ? 119 THR   B C   1 
ATOM   996  O O   . THR   A 1 113 ? -34.442 -23.824 -17.871 1.00 16.05 ? 119 THR   B O   1 
ATOM   997  C CB  . THR   A 1 113 ? -31.520 -24.811 -16.578 1.00 11.87 ? 119 THR   B CB  1 
ATOM   998  O OG1 . THR   A 1 113 ? -32.203 -24.375 -15.387 1.00 11.85 ? 119 THR   B OG1 1 
ATOM   999  C CG2 . THR   A 1 113 ? -30.076 -24.484 -16.405 1.00 13.58 ? 119 THR   B CG2 1 
ATOM   1000 N N   . SER   A 1 114 ? -33.753 -25.905 -18.389 1.00 17.55 ? 120 SER   B N   1 
ATOM   1001 C CA  . SER   A 1 114 ? -35.105 -26.479 -18.555 1.00 20.53 ? 120 SER   B CA  1 
ATOM   1002 C C   . SER   A 1 114 ? -35.264 -27.682 -17.620 1.00 21.72 ? 120 SER   B C   1 
ATOM   1003 O O   . SER   A 1 114 ? -34.621 -28.715 -17.803 1.00 24.65 ? 120 SER   B O   1 
ATOM   1004 C CB  . SER   A 1 114 ? -35.384 -26.822 -20.010 1.00 24.68 ? 120 SER   B CB  1 
ATOM   1005 O OG  . SER   A 1 114 ? -36.702 -27.365 -20.151 1.00 28.51 ? 120 SER   B OG  1 
ATOM   1006 N N   . PRO   A 1 115 ? -36.032 -27.557 -16.524 1.00 19.38 ? 121 PRO   B N   1 
ATOM   1007 C CA  . PRO   A 1 115 ? -36.706 -26.332 -16.128 1.00 18.77 ? 121 PRO   B CA  1 
ATOM   1008 C C   . PRO   A 1 115 ? -35.714 -25.325 -15.512 1.00 15.49 ? 121 PRO   B C   1 
ATOM   1009 O O   . PRO   A 1 115 ? -34.570 -25.650 -15.235 1.00 14.69 ? 121 PRO   B O   1 
ATOM   1010 C CB  . PRO   A 1 115 ? -37.712 -26.794 -15.080 1.00 22.15 ? 121 PRO   B CB  1 
ATOM   1011 C CG  . PRO   A 1 115 ? -37.009 -27.948 -14.426 1.00 22.02 ? 121 PRO   B CG  1 
ATOM   1012 C CD  . PRO   A 1 115 ? -36.225 -28.633 -15.533 1.00 22.26 ? 121 PRO   B CD  1 
ATOM   1013 N N   . GLN   A 1 116 ? -36.169 -24.102 -15.300 1.00 14.64 ? 122 GLN   B N   1 
ATOM   1014 C CA  . GLN   A 1 116 ? -35.304 -22.991 -14.825 1.00 13.81 ? 122 GLN   B CA  1 
ATOM   1015 C C   . GLN   A 1 116 ? -34.770 -23.265 -13.409 1.00 12.00 ? 122 GLN   B C   1 
ATOM   1016 O O   . GLN   A 1 116 ? -35.402 -24.022 -12.648 1.00 13.95 ? 122 GLN   B O   1 
ATOM   1017 C CB  . GLN   A 1 116 ? -36.033 -21.649 -14.895 1.00 17.21 ? 122 GLN   B CB  1 
ATOM   1018 C CG  . GLN   A 1 116 ? -37.156 -21.461 -13.902 1.00 25.68 ? 122 GLN   B CG  1 
ATOM   1019 C CD  . GLN   A 1 116 ? -38.521 -21.675 -14.507 1.00 34.51 ? 122 GLN   B CD  1 
ATOM   1020 O OE1 . GLN   A 1 116 ? -38.720 -22.517 -15.390 1.00 40.19 ? 122 GLN   B OE1 1 
ATOM   1021 N NE2 . GLN   A 1 116 ? -39.483 -20.915 -14.005 1.00 41.05 ? 122 GLN   B NE2 1 
ATOM   1022 N N   . THR   A 1 117 ? -33.645 -22.673 -13.103 1.00 10.71 ? 123 THR   B N   1 
ATOM   1023 C CA  . THR   A 1 117 ? -32.939 -22.842 -11.822 1.00 10.62 ? 123 THR   B CA  1 
ATOM   1024 C C   . THR   A 1 117 ? -32.966 -21.541 -11.037 1.00 10.67 ? 123 THR   B C   1 
ATOM   1025 O O   . THR   A 1 117 ? -32.492 -20.507 -11.522 1.00 11.64 ? 123 THR   B O   1 
ATOM   1026 C CB  . THR   A 1 117 ? -31.503 -23.313 -12.082 1.00 10.38 ? 123 THR   B CB  1 
ATOM   1027 O OG1 . THR   A 1 117 ? -31.540 -24.545 -12.793 1.00 11.25 ? 123 THR   B OG1 1 
ATOM   1028 C CG2 . THR   A 1 117 ? -30.750 -23.493 -10.785 1.00 11.54 ? 123 THR   B CG2 1 
ATOM   1029 N N   . THR   A 1 118 ? -33.340 -21.623 -9.761  1.00 10.82 ? 124 THR   B N   1 
ATOM   1030 C CA  . THR   A 1 118 ? -33.297 -20.484 -8.837  1.00 11.46 ? 124 THR   B CA  1 
ATOM   1031 C C   . THR   A 1 118 ? -31.876 -20.001 -8.599  1.00 10.68 ? 124 THR   B C   1 
ATOM   1032 O O   . THR   A 1 118 ? -30.969 -20.873 -8.335  1.00 13.08 ? 124 THR   B O   1 
ATOM   1033 C CB  . THR   A 1 118 ? -33.972 -20.915 -7.519  1.00 14.42 ? 124 THR   B CB  1 
ATOM   1034 O OG1 . THR   A 1 118 ? -35.340 -21.201 -7.795  1.00 16.79 ? 124 THR   B OG1 1 
ATOM   1035 C CG2 . THR   A 1 118 ? -33.730 -19.899 -6.417  1.00 16.85 ? 124 THR   B CG2 1 
ATOM   1036 N N   . LEU   A 1 119 ? -31.621 -18.714 -8.697  1.00 10.29 ? 125 LEU   B N   1 
ATOM   1037 C CA  . LEU   A 1 119 ? -30.331 -18.132 -8.365  1.00 10.17 ? 125 LEU   B CA  1 
ATOM   1038 C C   . LEU   A 1 119 ? -30.395 -17.547 -6.947  1.00 11.73 ? 125 LEU   B C   1 
ATOM   1039 O O   . LEU   A 1 119 ? -31.517 -17.272 -6.447  1.00 15.70 ? 125 LEU   B O   1 
ATOM   1040 C CB  . LEU   A 1 119 ? -29.884 -17.060 -9.370  1.00 10.33 ? 125 LEU   B CB  1 
ATOM   1041 C CG  . LEU   A 1 119 ? -29.820 -17.550 -10.821 1.00 9.32  ? 125 LEU   B CG  1 
ATOM   1042 C CD1 . LEU   A 1 119 ? -29.555 -16.418 -11.809 1.00 10.29 ? 125 LEU   B CD1 1 
ATOM   1043 C CD2 . LEU   A 1 119 ? -28.765 -18.657 -10.950 1.00 10.73 ? 125 LEU   B CD2 1 
ATOM   1044 N N   . HIS   A 1 120 ? -29.257 -17.403 -6.307  1.00 11.37 ? 126 HIS   B N   1 
ATOM   1045 C CA  . HIS   A 1 120 ? -29.106 -16.945 -4.892  1.00 12.46 ? 126 HIS   B CA  1 
ATOM   1046 C C   . HIS   A 1 120 ? -28.271 -15.683 -4.934  1.00 13.86 ? 126 HIS   B C   1 
ATOM   1047 O O   . HIS   A 1 120 ? -27.019 -15.718 -4.999  1.00 18.44 ? 126 HIS   B O   1 
ATOM   1048 C CB  . HIS   A 1 120 ? -28.447 -18.052 -4.035  1.00 13.83 ? 126 HIS   B CB  1 
ATOM   1049 C CG  . HIS   A 1 120 ? -29.234 -19.314 -4.010  1.00 13.84 ? 126 HIS   B CG  1 
ATOM   1050 N ND1 . HIS   A 1 120 ? -28.936 -20.391 -4.838  1.00 16.07 ? 126 HIS   B ND1 1 
ATOM   1051 C CD2 . HIS   A 1 120 ? -30.309 -19.676 -3.312  1.00 15.96 ? 126 HIS   B CD2 1 
ATOM   1052 C CE1 . HIS   A 1 120 ? -29.806 -21.352 -4.597  1.00 16.85 ? 126 HIS   B CE1 1 
ATOM   1053 N NE2 . HIS   A 1 120 ? -30.642 -20.969 -3.664  1.00 16.00 ? 126 HIS   B NE2 1 
ATOM   1054 N N   . ILE   A 1 121 ? -28.895 -14.529 -4.989  1.00 15.41 ? 127 ILE   B N   1 
ATOM   1055 C CA  . ILE   A 1 121 ? -28.212 -13.210 -5.133  1.00 17.42 ? 127 ILE   B CA  1 
ATOM   1056 C C   . ILE   A 1 121 ? -28.622 -12.352 -3.903  1.00 17.92 ? 127 ILE   B C   1 
ATOM   1057 O O   . ILE   A 1 121 ? -29.801 -12.135 -3.689  1.00 24.05 ? 127 ILE   B O   1 
ATOM   1058 C CB  . ILE   A 1 121 ? -28.556 -12.554 -6.495  1.00 18.38 ? 127 ILE   B CB  1 
ATOM   1059 C CG1 . ILE   A 1 121 ? -28.092 -13.403 -7.694  1.00 17.33 ? 127 ILE   B CG1 1 
ATOM   1060 C CG2 . ILE   A 1 121 ? -28.002 -11.129 -6.512  1.00 23.13 ? 127 ILE   B CG2 1 
ATOM   1061 C CD1 . ILE   A 1 121 ? -28.331 -12.814 -9.076  1.00 16.87 ? 127 ILE   B CD1 1 
ATOM   1062 N N   . GLN   A 1 122 ? -27.661 -12.014 -3.059  1.00 20.40 ? 128 GLN   B N   1 
ATOM   1063 C CA  . GLN   A 1 122 ? -27.906 -11.206 -1.827  1.00 22.23 ? 128 GLN   B CA  1 
ATOM   1064 C C   . GLN   A 1 122 ? -27.881 -9.720  -2.180  1.00 21.25 ? 128 GLN   B C   1 
ATOM   1065 O O   . GLN   A 1 122 ? -28.656 -8.929  -1.567  1.00 22.19 ? 128 GLN   B O   1 
ATOM   1066 C CB  . GLN   A 1 122 ? -26.824 -11.552 -0.799  1.00 25.04 ? 128 GLN   B CB  1 
ATOM   1067 C CG  . GLN   A 1 122 ? -26.865 -10.728 0.493   1.00 30.65 ? 128 GLN   B CG  1 
ATOM   1068 C CD  . GLN   A 1 122 ? -28.118 -10.920 1.325   1.00 35.75 ? 128 GLN   B CD  1 
ATOM   1069 O OE1 . GLN   A 1 122 ? -28.776 -11.957 1.286   1.00 40.72 ? 128 GLN   B OE1 1 
ATOM   1070 N NE2 . GLN   A 1 122 ? -28.461 -9.908  2.109   1.00 39.54 ? 128 GLN   B NE2 1 
ATOM   1071 N N   . VAL   A 1 123 ? -27.065 -9.341  -3.157  1.00 18.54 ? 129 VAL   B N   1 
ATOM   1072 C CA  . VAL   A 1 123 ? -26.887 -7.910  -3.570  1.00 17.35 ? 129 VAL   B CA  1 
ATOM   1073 C C   . VAL   A 1 123 ? -27.443 -7.721  -4.975  1.00 16.55 ? 129 VAL   B C   1 
ATOM   1074 O O   . VAL   A 1 123 ? -26.819 -8.203  -5.946  1.00 15.24 ? 129 VAL   B O   1 
ATOM   1075 C CB  . VAL   A 1 123 ? -25.409 -7.513  -3.513  1.00 18.83 ? 129 VAL   B CB  1 
ATOM   1076 C CG1 . VAL   A 1 123 ? -25.175 -6.080  -4.010  1.00 19.69 ? 129 VAL   B CG1 1 
ATOM   1077 C CG2 . VAL   A 1 123 ? -24.861 -7.655  -2.093  1.00 20.26 ? 129 VAL   B CG2 1 
ATOM   1078 N N   . PRO   A 1 124 ? -28.663 -7.182  -5.179  1.00 15.19 ? 130 PRO   B N   1 
ATOM   1079 C CA  . PRO   A 1 124 ? -29.198 -7.063  -6.534  1.00 15.39 ? 130 PRO   B CA  1 
ATOM   1080 C C   . PRO   A 1 124 ? -28.209 -6.378  -7.449  1.00 14.38 ? 130 PRO   B C   1 
ATOM   1081 O O   . PRO   A 1 124 ? -27.716 -5.299  -7.169  1.00 15.65 ? 130 PRO   B O   1 
ATOM   1082 C CB  . PRO   A 1 124 ? -30.449 -6.201  -6.325  1.00 17.27 ? 130 PRO   B CB  1 
ATOM   1083 C CG  . PRO   A 1 124 ? -30.912 -6.623  -4.937  1.00 18.33 ? 130 PRO   B CG  1 
ATOM   1084 C CD  . PRO   A 1 124 ? -29.641 -6.744  -4.153  1.00 18.04 ? 130 PRO   B CD  1 
ATOM   1085 N N   . PRO   A 1 125 ? -27.824 -6.997  -8.589  1.00 13.90 ? 131 PRO   B N   1 
ATOM   1086 C CA  . PRO   A 1 125 ? -26.816 -6.408  -9.449  1.00 12.94 ? 131 PRO   B CA  1 
ATOM   1087 C C   . PRO   A 1 125 ? -27.334 -5.187  -10.215 1.00 12.65 ? 131 PRO   B C   1 
ATOM   1088 O O   . PRO   A 1 125 ? -28.438 -5.239  -10.729 1.00 13.44 ? 131 PRO   B O   1 
ATOM   1089 C CB  . PRO   A 1 125 ? -26.430 -7.594  -10.368 1.00 13.52 ? 131 PRO   B CB  1 
ATOM   1090 C CG  . PRO   A 1 125 ? -27.612 -8.498  -10.334 1.00 15.62 ? 131 PRO   B CG  1 
ATOM   1091 C CD  . PRO   A 1 125 ? -28.171 -8.385  -8.946  1.00 13.91 ? 131 PRO   B CD  1 
ATOM   1092 N N   . CYS   A 1 126 ? -26.469 -4.198  -10.353 1.00 12.19 ? 132 CYS   B N   1 
ATOM   1093 C CA  . CYS   A 1 126 ? -26.664 -3.098  -11.324 1.00 12.51 ? 132 CYS   B CA  1 
ATOM   1094 C C   . CYS   A 1 126 ? -25.870 -3.322  -12.601 1.00 12.03 ? 132 CYS   B C   1 
ATOM   1095 O O   . CYS   A 1 126 ? -26.168 -2.716  -13.633 1.00 11.71 ? 132 CYS   B O   1 
ATOM   1096 C CB  . CYS   A 1 126 ? -26.267 -1.763  -10.722 1.00 15.34 ? 132 CYS   B CB  1 
ATOM   1097 S SG  . CYS   A 1 126 ? -27.226 -1.308  -9.251  1.00 22.67 ? 132 CYS   B SG  1 
ATOM   1098 N N   A GLN   A 1 127 ? -24.774 -4.099  -12.552 0.25 12.02 ? 133 GLN   B N   1 
ATOM   1099 N N   B GLN   A 1 127 ? -24.946 -4.278  -12.533 0.25 12.42 ? 133 GLN   B N   1 
ATOM   1100 C CA  A GLN   A 1 127 ? -24.046 -4.543  -13.778 0.25 12.05 ? 133 GLN   B CA  1 
ATOM   1101 C CA  B GLN   A 1 127 ? -24.028 -4.589  -13.646 0.25 13.03 ? 133 GLN   B CA  1 
ATOM   1102 C C   A GLN   A 1 127 ? -23.690 -6.029  -13.653 0.25 11.16 ? 133 GLN   B C   1 
ATOM   1103 C C   B GLN   A 1 127 ? -23.775 -6.098  -13.610 0.25 11.58 ? 133 GLN   B C   1 
ATOM   1104 O O   A GLN   A 1 127 ? -23.275 -6.476  -12.558 0.25 10.58 ? 133 GLN   B O   1 
ATOM   1105 O O   B GLN   A 1 127 ? -23.649 -6.671  -12.497 0.25 10.83 ? 133 GLN   B O   1 
ATOM   1106 C CB  A GLN   A 1 127 ? -22.751 -3.774  -14.085 0.25 13.09 ? 133 GLN   B CB  1 
ATOM   1107 C CB  B GLN   A 1 127 ? -22.772 -3.727  -13.515 0.25 15.18 ? 133 GLN   B CB  1 
ATOM   1108 C CG  A GLN   A 1 127 ? -22.901 -2.269  -14.268 0.25 14.09 ? 133 GLN   B CG  1 
ATOM   1109 C CG  B GLN   A 1 127 ? -23.020 -2.236  -13.703 0.25 17.24 ? 133 GLN   B CG  1 
ATOM   1110 C CD  A GLN   A 1 127 ? -22.808 -1.542  -12.948 0.25 15.46 ? 133 GLN   B CD  1 
ATOM   1111 C CD  B GLN   A 1 127 ? -21.786 -1.488  -14.144 0.25 19.46 ? 133 GLN   B CD  1 
ATOM   1112 O OE1 A GLN   A 1 127 ? -22.062 -1.931  -12.054 0.25 16.84 ? 133 GLN   B OE1 1 
ATOM   1113 O OE1 B GLN   A 1 127 ? -20.673 -1.997  -14.075 0.25 23.52 ? 133 GLN   B OE1 1 
ATOM   1114 N NE2 A GLN   A 1 127 ? -23.594 -0.484  -12.802 0.25 15.73 ? 133 GLN   B NE2 1 
ATOM   1115 N NE2 B GLN   A 1 127 ? -21.978 -0.262  -14.587 0.25 21.57 ? 133 GLN   B NE2 1 
ATOM   1116 N N   . ILE   A 1 128 ? -23.809 -6.719  -14.791 1.00 10.62 ? 134 ILE   B N   1 
ATOM   1117 C CA  . ILE   A 1 128 ? -23.636 -8.191  -14.964 1.00 10.89 ? 134 ILE   B CA  1 
ATOM   1118 C C   . ILE   A 1 128 ? -22.395 -8.343  -15.856 1.00 10.87 ? 134 ILE   B C   1 
ATOM   1119 O O   . ILE   A 1 128 ? -22.344 -7.761  -16.961 1.00 10.89 ? 134 ILE   B O   1 
ATOM   1120 C CB  . ILE   A 1 128 ? -24.883 -8.830  -15.584 1.00 11.16 ? 134 ILE   B CB  1 
ATOM   1121 C CG1 . ILE   A 1 128 ? -26.193 -8.650  -14.786 1.00 13.40 ? 134 ILE   B CG1 1 
ATOM   1122 C CG2 . ILE   A 1 128 ? -24.637 -10.320 -15.854 1.00 11.71 ? 134 ILE   B CG2 1 
ATOM   1123 C CD1 . ILE   A 1 128 ? -26.202 -9.378  -13.533 1.00 13.90 ? 134 ILE   B CD1 1 
ATOM   1124 N N   . GLY   A 1 129 ? -21.457 -9.221  -15.480 1.00 10.72 ? 135 GLY   B N   1 
ATOM   1125 C CA  . GLY   A 1 129 ? -20.367 -9.682  -16.351 1.00 10.08 ? 135 GLY   B CA  1 
ATOM   1126 C C   . GLY   A 1 129 ? -20.674 -11.057 -16.935 1.00 10.03 ? 135 GLY   B C   1 
ATOM   1127 O O   . GLY   A 1 129 ? -21.239 -11.912 -16.244 1.00 10.42 ? 135 GLY   B O   1 
ATOM   1128 N N   . ILE   A 1 130 ? -20.409 -11.210 -18.232 1.00 9.97  ? 136 ILE   B N   1 
ATOM   1129 C CA  . ILE   A 1 130 ? -20.682 -12.463 -18.998 1.00 9.68  ? 136 ILE   B CA  1 
ATOM   1130 C C   . ILE   A 1 130 ? -19.364 -12.942 -19.601 1.00 10.40 ? 136 ILE   B C   1 
ATOM   1131 O O   . ILE   A 1 130 ? -18.668 -12.177 -20.291 1.00 10.52 ? 136 ILE   B O   1 
ATOM   1132 C CB  . ILE   A 1 130 ? -21.718 -12.216 -20.105 1.00 10.43 ? 136 ILE   B CB  1 
ATOM   1133 C CG1 . ILE   A 1 130 ? -23.002 -11.681 -19.476 1.00 11.56 ? 136 ILE   B CG1 1 
ATOM   1134 C CG2 . ILE   A 1 130 ? -22.008 -13.513 -20.872 1.00 11.47 ? 136 ILE   B CG2 1 
ATOM   1135 C CD1 . ILE   A 1 130 ? -24.022 -11.295 -20.452 1.00 14.47 ? 136 ILE   B CD1 1 
ATOM   1136 N N   . PHE   A 1 131 ? -19.007 -14.167 -19.231 1.00 9.98  ? 137 PHE   B N   1 
ATOM   1137 C CA  . PHE   A 1 131 ? -17.760 -14.820 -19.694 1.00 9.95  ? 137 PHE   B CA  1 
ATOM   1138 C C   . PHE   A 1 131 ? -18.127 -16.060 -20.489 1.00 9.44  ? 137 PHE   B C   1 
ATOM   1139 O O   . PHE   A 1 131 ? -18.893 -16.906 -20.025 1.00 10.04 ? 137 PHE   B O   1 
ATOM   1140 C CB  . PHE   A 1 131 ? -16.905 -15.235 -18.505 1.00 10.98 ? 137 PHE   B CB  1 
ATOM   1141 C CG  . PHE   A 1 131 ? -15.657 -15.992 -18.876 1.00 11.77 ? 137 PHE   B CG  1 
ATOM   1142 C CD1 . PHE   A 1 131 ? -14.628 -15.363 -19.543 1.00 12.82 ? 137 PHE   B CD1 1 
ATOM   1143 C CD2 . PHE   A 1 131 ? -15.481 -17.317 -18.520 1.00 13.86 ? 137 PHE   B CD2 1 
ATOM   1144 C CE1 . PHE   A 1 131 ? -13.479 -16.073 -19.891 1.00 15.16 ? 137 PHE   B CE1 1 
ATOM   1145 C CE2 . PHE   A 1 131 ? -14.335 -18.031 -18.865 1.00 15.40 ? 137 PHE   B CE2 1 
ATOM   1146 C CZ  . PHE   A 1 131 ? -13.332 -17.379 -19.518 1.00 15.32 ? 137 PHE   B CZ  1 
ATOM   1147 N N   . VAL   A 1 132 ? -17.555 -16.190 -21.692 1.00 9.79  ? 138 VAL   B N   1 
ATOM   1148 C CA  . VAL   A 1 132 ? -17.709 -17.366 -22.563 1.00 10.14 ? 138 VAL   B CA  1 
ATOM   1149 C C   . VAL   A 1 132 ? -16.336 -17.970 -22.834 1.00 9.50  ? 138 VAL   B C   1 
ATOM   1150 O O   . VAL   A 1 132 ? -15.449 -17.263 -23.304 1.00 11.04 ? 138 VAL   B O   1 
ATOM   1151 C CB  . VAL   A 1 132 ? -18.423 -17.023 -23.865 1.00 10.57 ? 138 VAL   B CB  1 
ATOM   1152 C CG1 . VAL   A 1 132 ? -18.587 -18.252 -24.728 1.00 12.22 ? 138 VAL   B CG1 1 
ATOM   1153 C CG2 . VAL   A 1 132 ? -19.788 -16.347 -23.625 1.00 11.91 ? 138 VAL   B CG2 1 
ATOM   1154 N N   . ASP   A 1 133 ? -16.213 -19.253 -22.554 1.00 9.75  ? 139 ASP   B N   1 
ATOM   1155 C CA  . ASP   A 1 133 ? -15.019 -20.051 -22.976 1.00 11.00 ? 139 ASP   B CA  1 
ATOM   1156 C C   . ASP   A 1 133 ? -15.510 -21.068 -23.987 1.00 10.00 ? 139 ASP   B C   1 
ATOM   1157 O O   . ASP   A 1 133 ? -16.120 -22.064 -23.634 1.00 10.43 ? 139 ASP   B O   1 
ATOM   1158 C CB  . ASP   A 1 133 ? -14.311 -20.671 -21.790 1.00 11.89 ? 139 ASP   B CB  1 
ATOM   1159 C CG  . ASP   A 1 133 ? -13.036 -21.452 -22.160 1.00 13.51 ? 139 ASP   B CG  1 
ATOM   1160 O OD1 . ASP   A 1 133 ? -12.907 -21.887 -23.318 1.00 14.13 ? 139 ASP   B OD1 1 
ATOM   1161 O OD2 . ASP   A 1 133 ? -12.198 -21.576 -21.217 1.00 17.41 ? 139 ASP   B OD2 1 
ATOM   1162 N N   . TYR   A 1 134 ? -15.283 -20.769 -25.265 1.00 10.76 ? 140 TYR   B N   1 
ATOM   1163 C CA  . TYR   A 1 134 ? -15.873 -21.594 -26.341 1.00 11.02 ? 140 TYR   B CA  1 
ATOM   1164 C C   . TYR   A 1 134 ? -15.368 -23.044 -26.263 1.00 11.39 ? 140 TYR   B C   1 
ATOM   1165 O O   . TYR   A 1 134 ? -16.099 -23.984 -26.237 1.00 12.81 ? 140 TYR   B O   1 
ATOM   1166 C CB  . TYR   A 1 134 ? -15.643 -20.969 -27.727 1.00 11.13 ? 140 TYR   B CB  1 
ATOM   1167 C CG  . TYR   A 1 134 ? -16.566 -21.563 -28.772 1.00 11.60 ? 140 TYR   B CG  1 
ATOM   1168 C CD1 . TYR   A 1 134 ? -16.390 -22.841 -29.285 1.00 11.73 ? 140 TYR   B CD1 1 
ATOM   1169 C CD2 . TYR   A 1 134 ? -17.706 -20.881 -29.185 1.00 11.56 ? 140 TYR   B CD2 1 
ATOM   1170 C CE1 . TYR   A 1 134 ? -17.287 -23.421 -30.158 1.00 11.13 ? 140 TYR   B CE1 1 
ATOM   1171 C CE2 . TYR   A 1 134 ? -18.619 -21.441 -30.057 1.00 11.45 ? 140 TYR   B CE2 1 
ATOM   1172 C CZ  . TYR   A 1 134 ? -18.423 -22.718 -30.565 1.00 10.33 ? 140 TYR   B CZ  1 
ATOM   1173 O OH  . TYR   A 1 134 ? -19.310 -23.311 -31.409 1.00 11.70 ? 140 TYR   B OH  1 
ATOM   1174 N N   . GLU   A 1 135 ? -14.060 -23.152 -26.158 1.00 13.02 ? 141 GLU   B N   1 
ATOM   1175 C CA  . GLU   A 1 135 ? -13.425 -24.500 -26.201 1.00 14.39 ? 141 GLU   B CA  1 
ATOM   1176 C C   . GLU   A 1 135 ? -13.862 -25.321 -25.010 1.00 13.28 ? 141 GLU   B C   1 
ATOM   1177 O O   . GLU   A 1 135 ? -14.217 -26.502 -25.168 1.00 15.40 ? 141 GLU   B O   1 
ATOM   1178 C CB  . GLU   A 1 135 ? -11.911 -24.388 -26.275 1.00 17.14 ? 141 GLU   B CB  1 
ATOM   1179 C CG  . GLU   A 1 135 ? -11.472 -24.257 -27.743 1.00 23.53 ? 141 GLU   B CG  1 
ATOM   1180 C CD  . GLU   A 1 135 ? -11.835 -22.941 -28.340 1.00 25.61 ? 141 GLU   B CD  1 
ATOM   1181 O OE1 . GLU   A 1 135 ? -12.126 -22.885 -29.487 1.00 23.64 ? 141 GLU   B OE1 1 
ATOM   1182 O OE2 . GLU   A 1 135 ? -11.871 -21.947 -27.583 1.00 27.25 ? 141 GLU   B OE2 1 
ATOM   1183 N N   . ALA   A 1 136 ? -13.916 -24.728 -23.825 1.00 12.45 ? 142 ALA   B N   1 
ATOM   1184 C CA  . ALA   A 1 136 ? -14.281 -25.440 -22.603 1.00 13.71 ? 142 ALA   B CA  1 
ATOM   1185 C C   . ALA   A 1 136 ? -15.784 -25.737 -22.548 1.00 13.41 ? 142 ALA   B C   1 
ATOM   1186 O O   . ALA   A 1 136 ? -16.197 -26.574 -21.745 1.00 15.39 ? 142 ALA   B O   1 
ATOM   1187 C CB  . ALA   A 1 136 ? -13.852 -24.647 -21.399 1.00 15.01 ? 142 ALA   B CB  1 
ATOM   1188 N N   . GLY   A 1 137 ? -16.640 -25.055 -23.306 1.00 11.67 ? 143 GLY   B N   1 
ATOM   1189 C CA  . GLY   A 1 137 ? -18.085 -25.215 -23.206 1.00 10.91 ? 143 GLY   B CA  1 
ATOM   1190 C C   . GLY   A 1 137 ? -18.647 -24.590 -21.915 1.00 9.72  ? 143 GLY   B C   1 
ATOM   1191 O O   . GLY   A 1 137 ? -19.431 -25.259 -21.235 1.00 11.05 ? 143 GLY   B O   1 
ATOM   1192 N N   . VAL   A 1 138 ? -18.225 -23.362 -21.619 1.00 10.29 ? 144 VAL   B N   1 
ATOM   1193 C CA  . VAL   A 1 138 ? -18.626 -22.654 -20.360 1.00 10.64 ? 144 VAL   B CA  1 
ATOM   1194 C C   . VAL   A 1 138 ? -19.201 -21.290 -20.688 1.00 9.97  ? 144 VAL   B C   1 
ATOM   1195 O O   . VAL   A 1 138 ? -18.608 -20.532 -21.458 1.00 10.28 ? 144 VAL   B O   1 
ATOM   1196 C CB  . VAL   A 1 138 ? -17.387 -22.492 -19.461 1.00 11.12 ? 144 VAL   B CB  1 
ATOM   1197 C CG1 . VAL   A 1 138 ? -17.644 -21.506 -18.293 1.00 11.81 ? 144 VAL   B CG1 1 
ATOM   1198 C CG2 . VAL   A 1 138 ? -16.938 -23.872 -18.972 1.00 12.49 ? 144 VAL   B CG2 1 
ATOM   1199 N N   . VAL   A 1 139 ? -20.286 -20.969 -19.995 1.00 9.98  ? 145 VAL   B N   1 
ATOM   1200 C CA  . VAL   A 1 139 ? -20.834 -19.578 -19.934 1.00 9.27  ? 145 VAL   B CA  1 
ATOM   1201 C C   . VAL   A 1 139 ? -21.054 -19.232 -18.451 1.00 8.97  ? 145 VAL   B C   1 
ATOM   1202 O O   . VAL   A 1 139 ? -21.836 -19.939 -17.786 1.00 9.70  ? 145 VAL   B O   1 
ATOM   1203 C CB  . VAL   A 1 139 ? -22.154 -19.466 -20.710 1.00 9.00  ? 145 VAL   B CB  1 
ATOM   1204 C CG1 . VAL   A 1 139 ? -22.657 -18.023 -20.698 1.00 9.70  ? 145 VAL   B CG1 1 
ATOM   1205 C CG2 . VAL   A 1 139 ? -22.055 -19.994 -22.141 1.00 9.09  ? 145 VAL   B CG2 1 
ATOM   1206 N N   . SER   A 1 140 ? -20.393 -18.199 -17.980 1.00 8.29  ? 146 SER   B N   1 
ATOM   1207 C CA  . SER   A 1 140 ? -20.505 -17.783 -16.574 1.00 9.39  ? 146 SER   B CA  1 
ATOM   1208 C C   . SER   A 1 140 ? -20.947 -16.328 -16.464 1.00 8.80  ? 146 SER   B C   1 
ATOM   1209 O O   . SER   A 1 140 ? -20.656 -15.513 -17.307 1.00 9.80  ? 146 SER   B O   1 
ATOM   1210 C CB  . SER   A 1 140 ? -19.184 -17.971 -15.846 1.00 9.17  ? 146 SER   B CB  1 
ATOM   1211 O OG  . SER   A 1 140 ? -18.831 -19.361 -15.751 1.00 10.47 ? 146 SER   B OG  1 
ATOM   1212 N N   . PHE   A 1 141 ? -21.641 -16.055 -15.363 1.00 8.41  ? 147 PHE   B N   1 
ATOM   1213 C CA  . PHE   A 1 141 ? -22.260 -14.763 -15.049 1.00 8.97  ? 147 PHE   B CA  1 
ATOM   1214 C C   . PHE   A 1 141 ? -21.718 -14.313 -13.703 1.00 9.02  ? 147 PHE   B C   1 
ATOM   1215 O O   . PHE   A 1 141 ? -21.740 -15.088 -12.719 1.00 9.21  ? 147 PHE   B O   1 
ATOM   1216 C CB  . PHE   A 1 141 ? -23.797 -14.866 -15.037 1.00 9.11  ? 147 PHE   B CB  1 
ATOM   1217 C CG  . PHE   A 1 141 ? -24.387 -15.247 -16.376 1.00 8.52  ? 147 PHE   B CG  1 
ATOM   1218 C CD1 . PHE   A 1 141 ? -24.456 -16.587 -16.762 1.00 8.98  ? 147 PHE   B CD1 1 
ATOM   1219 C CD2 . PHE   A 1 141 ? -24.896 -14.278 -17.235 1.00 8.96  ? 147 PHE   B CD2 1 
ATOM   1220 C CE1 . PHE   A 1 141 ? -24.934 -16.930 -18.022 1.00 8.97  ? 147 PHE   B CE1 1 
ATOM   1221 C CE2 . PHE   A 1 141 ? -25.404 -14.646 -18.485 1.00 8.61  ? 147 PHE   B CE2 1 
ATOM   1222 C CZ  . PHE   A 1 141 ? -25.451 -15.963 -18.863 1.00 8.63  ? 147 PHE   B CZ  1 
ATOM   1223 N N   . TYR   A 1 142 ? -21.422 -13.022 -13.606 1.00 9.11  ? 148 TYR   B N   1 
ATOM   1224 C CA  . TYR   A 1 142 ? -20.756 -12.402 -12.435 1.00 10.29 ? 148 TYR   B CA  1 
ATOM   1225 C C   . TYR   A 1 142 ? -21.531 -11.149 -12.026 1.00 10.55 ? 148 TYR   B C   1 
ATOM   1226 O O   . TYR   A 1 142 ? -22.014 -10.328 -12.860 1.00 10.86 ? 148 TYR   B O   1 
ATOM   1227 C CB  . TYR   A 1 142 ? -19.287 -12.091 -12.709 1.00 10.93 ? 148 TYR   B CB  1 
ATOM   1228 C CG  . TYR   A 1 142 ? -18.483 -13.325 -12.993 1.00 11.56 ? 148 TYR   B CG  1 
ATOM   1229 C CD1 . TYR   A 1 142 ? -17.993 -14.124 -11.970 1.00 12.17 ? 148 TYR   B CD1 1 
ATOM   1230 C CD2 . TYR   A 1 142 ? -18.295 -13.770 -14.291 1.00 12.01 ? 148 TYR   B CD2 1 
ATOM   1231 C CE1 . TYR   A 1 142 ? -17.341 -15.323 -12.231 1.00 13.03 ? 148 TYR   B CE1 1 
ATOM   1232 C CE2 . TYR   A 1 142 ? -17.626 -14.950 -14.566 1.00 12.24 ? 148 TYR   B CE2 1 
ATOM   1233 C CZ  . TYR   A 1 142 ? -17.111 -15.718 -13.539 1.00 12.40 ? 148 TYR   B CZ  1 
ATOM   1234 O OH  . TYR   A 1 142 ? -16.454 -16.902 -13.813 1.00 14.32 ? 148 TYR   B OH  1 
ATOM   1235 N N   . ASN   A 1 143 ? -21.565 -10.920 -10.722 1.00 11.13 ? 149 ASN   B N   1 
ATOM   1236 C CA  . ASN   A 1 143 ? -22.269 -9.766  -10.094 1.00 11.41 ? 149 ASN   B CA  1 
ATOM   1237 C C   . ASN   A 1 143 ? -21.242 -8.653  -9.915  1.00 11.40 ? 149 ASN   B C   1 
ATOM   1238 O O   . ASN   A 1 143 ? -20.473 -8.675  -8.890  1.00 13.83 ? 149 ASN   B O   1 
ATOM   1239 C CB  . ASN   A 1 143 ? -22.876 -10.201 -8.772  1.00 11.51 ? 149 ASN   B CB  1 
ATOM   1240 C CG  . ASN   A 1 143 ? -23.717 -9.109  -8.118  1.00 12.14 ? 149 ASN   B CG  1 
ATOM   1241 O OD1 . ASN   A 1 143 ? -23.549 -7.928  -8.449  1.00 13.38 ? 149 ASN   B OD1 1 
ATOM   1242 N ND2 . ASN   A 1 143 ? -24.607 -9.510  -7.266  1.00 13.37 ? 149 ASN   B ND2 1 
ATOM   1243 N N   . ILE   A 1 144 ? -21.160 -7.684  -10.814 1.00 12.70 ? 150 ILE   B N   1 
ATOM   1244 C CA  . ILE   A 1 144 ? -20.105 -6.643  -10.744 1.00 13.57 ? 150 ILE   B CA  1 
ATOM   1245 C C   . ILE   A 1 144 ? -20.368 -5.753  -9.517  1.00 14.69 ? 150 ILE   B C   1 
ATOM   1246 O O   . ILE   A 1 144 ? -19.389 -5.286  -8.928  1.00 17.25 ? 150 ILE   B O   1 
ATOM   1247 C CB  . ILE   A 1 144 ? -20.062 -5.844  -12.052 1.00 14.01 ? 150 ILE   B CB  1 
ATOM   1248 C CG1 . ILE   A 1 144 ? -19.853 -6.752  -13.272 1.00 15.45 ? 150 ILE   B CG1 1 
ATOM   1249 C CG2 . ILE   A 1 144 ? -19.036 -4.737  -12.004 1.00 16.12 ? 150 ILE   B CG2 1 
ATOM   1250 C CD1 . ILE   A 1 144 ? -18.802 -7.812  -13.062 1.00 18.46 ? 150 ILE   B CD1 1 
ATOM   1251 N N   . THR   A 1 145 ? -21.605 -5.549  -9.124  1.00 14.29 ? 151 THR   B N   1 
ATOM   1252 C CA  . THR   A 1 145 ? -21.991 -4.692  -7.962  1.00 15.34 ? 151 THR   B CA  1 
ATOM   1253 C C   . THR   A 1 145 ? -21.432 -5.337  -6.695  1.00 17.79 ? 151 THR   B C   1 
ATOM   1254 O O   . THR   A 1 145 ? -21.004 -4.587  -5.785  1.00 20.96 ? 151 THR   B O   1 
ATOM   1255 C CB  . THR   A 1 145 ? -23.520 -4.558  -7.923  1.00 14.83 ? 151 THR   B CB  1 
ATOM   1256 O OG1 . THR   A 1 145 ? -23.958 -4.077  -9.191  1.00 15.41 ? 151 THR   B OG1 1 
ATOM   1257 C CG2 . THR   A 1 145 ? -23.970 -3.628  -6.814  1.00 16.28 ? 151 THR   B CG2 1 
ATOM   1258 N N   . ASP   A 1 146 ? -21.379 -6.665  -6.596  1.00 16.01 ? 152 ASP   B N   1 
ATOM   1259 C CA  . ASP   A 1 146 ? -20.850 -7.408  -5.419  1.00 17.29 ? 152 ASP   B CA  1 
ATOM   1260 C C   . ASP   A 1 146 ? -19.432 -7.944  -5.677  1.00 17.41 ? 152 ASP   B C   1 
ATOM   1261 O O   . ASP   A 1 146 ? -19.237 -9.164  -5.514  1.00 18.86 ? 152 ASP   B O   1 
ATOM   1262 C CB  . ASP   A 1 146 ? -21.852 -8.464  -5.052  1.00 17.17 ? 152 ASP   B CB  1 
ATOM   1263 C CG  . ASP   A 1 146 ? -21.482 -9.237  -3.821  1.00 19.59 ? 152 ASP   B CG  1 
ATOM   1264 O OD1 . ASP   A 1 146 ? -21.029 -8.592  -2.841  1.00 22.31 ? 152 ASP   B OD1 1 
ATOM   1265 O OD2 . ASP   A 1 146 ? -21.676 -10.459 -3.857  1.00 20.87 ? 152 ASP   B OD2 1 
ATOM   1266 N N   . HIS   A 1 147 ? -18.507 -7.099  -6.091  1.00 19.71 ? 153 HIS   B N   1 
ATOM   1267 C CA  . HIS   A 1 147 ? -17.064 -7.438  -6.196  1.00 22.88 ? 153 HIS   B CA  1 
ATOM   1268 C C   . HIS   A 1 147 ? -16.896 -8.648  -7.122  1.00 20.59 ? 153 HIS   B C   1 
ATOM   1269 O O   . HIS   A 1 147 ? -16.005 -9.474  -6.899  1.00 24.31 ? 153 HIS   B O   1 
ATOM   1270 C CB  . HIS   A 1 147 ? -16.431 -7.788  -4.837  1.00 27.95 ? 153 HIS   B CB  1 
ATOM   1271 C CG  . HIS   A 1 147 ? -16.721 -6.863  -3.696  1.00 35.70 ? 153 HIS   B CG  1 
ATOM   1272 N ND1 . HIS   A 1 147 ? -16.055 -5.661  -3.527  1.00 40.79 ? 153 HIS   B ND1 1 
ATOM   1273 C CD2 . HIS   A 1 147 ? -17.548 -6.996  -2.634  1.00 40.03 ? 153 HIS   B CD2 1 
ATOM   1274 C CE1 . HIS   A 1 147 ? -16.490 -5.069  -2.429  1.00 44.56 ? 153 HIS   B CE1 1 
ATOM   1275 N NE2 . HIS   A 1 147 ? -17.408 -5.870  -1.859  1.00 42.26 ? 153 HIS   B NE2 1 
ATOM   1276 N N   . GLY   A 1 148 ? -17.713 -8.765  -8.166  1.00 17.62 ? 154 GLY   B N   1 
ATOM   1277 C CA  . GLY   A 1 148 ? -17.500 -9.831  -9.163  1.00 16.15 ? 154 GLY   B CA  1 
ATOM   1278 C C   . GLY   A 1 148 ? -17.941 -11.205 -8.710  1.00 14.64 ? 154 GLY   B C   1 
ATOM   1279 O O   . GLY   A 1 148 ? -17.423 -12.146 -9.297  1.00 14.94 ? 154 GLY   B O   1 
ATOM   1280 N N   . SER   A 1 149 ? -18.764 -11.369 -7.707  1.00 13.08 ? 155 SER   B N   1 
ATOM   1281 C CA  . SER   A 1 149 ? -19.130 -12.704 -7.197  1.00 12.38 ? 155 SER   B CA  1 
ATOM   1282 C C   . SER   A 1 149 ? -19.834 -13.529 -8.280  1.00 12.33 ? 155 SER   B C   1 
ATOM   1283 O O   . SER   A 1 149 ? -20.615 -12.984 -9.110  1.00 12.58 ? 155 SER   B O   1 
ATOM   1284 C CB  . SER   A 1 149 ? -19.969 -12.587 -5.962  1.00 13.36 ? 155 SER   B CB  1 
ATOM   1285 O OG  . SER   A 1 149 ? -21.149 -11.818 -6.157  1.00 14.12 ? 155 SER   B OG  1 
ATOM   1286 N N   . LEU   A 1 150 ? -19.637 -14.827 -8.267  1.00 11.00 ? 156 LEU   B N   1 
ATOM   1287 C CA  . LEU   A 1 150 ? -20.277 -15.722 -9.258  1.00 10.20 ? 156 LEU   B CA  1 
ATOM   1288 C C   . LEU   A 1 150 ? -21.774 -15.783 -9.025  1.00 9.93  ? 156 LEU   B C   1 
ATOM   1289 O O   . LEU   A 1 150 ? -22.273 -15.990 -7.888  1.00 10.48 ? 156 LEU   B O   1 
ATOM   1290 C CB  . LEU   A 1 150 ? -19.676 -17.125 -9.104  1.00 10.89 ? 156 LEU   B CB  1 
ATOM   1291 C CG  . LEU   A 1 150 ? -20.220 -18.178 -10.093 1.00 10.57 ? 156 LEU   B CG  1 
ATOM   1292 C CD1 . LEU   A 1 150 ? -19.841 -17.875 -11.528 1.00 10.89 ? 156 LEU   B CD1 1 
ATOM   1293 C CD2 . LEU   A 1 150 ? -19.675 -19.575 -9.705  1.00 12.04 ? 156 LEU   B CD2 1 
ATOM   1294 N N   . ILE   A 1 151 ? -22.541 -15.659 -10.120 1.00 9.55  ? 157 ILE   B N   1 
ATOM   1295 C CA  . ILE   A 1 151 ? -23.988 -15.848 -10.135 1.00 9.46  ? 157 ILE   B CA  1 
ATOM   1296 C C   . ILE   A 1 151 ? -24.314 -17.263 -10.601 1.00 9.51  ? 157 ILE   B C   1 
ATOM   1297 O O   . ILE   A 1 151 ? -25.130 -17.962 -10.020 1.00 9.54  ? 157 ILE   B O   1 
ATOM   1298 C CB  . ILE   A 1 151 ? -24.668 -14.769 -11.011 1.00 9.96  ? 157 ILE   B CB  1 
ATOM   1299 C CG1 . ILE   A 1 151 ? -24.504 -13.370 -10.414 1.00 10.98 ? 157 ILE   B CG1 1 
ATOM   1300 C CG2 . ILE   A 1 151 ? -26.135 -15.119 -11.209 1.00 10.06 ? 157 ILE   B CG2 1 
ATOM   1301 C CD1 . ILE   A 1 151 ? -24.945 -12.251 -11.349 1.00 10.79 ? 157 ILE   B CD1 1 
ATOM   1302 N N   . TYR   A 1 152 ? -23.755 -17.678 -11.757 1.00 9.08  ? 158 TYR   B N   1 
ATOM   1303 C CA  . TYR   A 1 152 ? -24.137 -18.973 -12.354 1.00 8.90  ? 158 TYR   B CA  1 
ATOM   1304 C C   . TYR   A 1 152 ? -23.100 -19.386 -13.388 1.00 8.78  ? 158 TYR   B C   1 
ATOM   1305 O O   . TYR   A 1 152 ? -22.623 -18.513 -14.133 1.00 9.10  ? 158 TYR   B O   1 
ATOM   1306 C CB  . TYR   A 1 152 ? -25.522 -18.911 -13.064 1.00 8.60  ? 158 TYR   B CB  1 
ATOM   1307 C CG  . TYR   A 1 152 ? -26.078 -20.260 -13.398 1.00 8.61  ? 158 TYR   B CG  1 
ATOM   1308 C CD1 . TYR   A 1 152 ? -26.718 -21.054 -12.454 1.00 9.81  ? 158 TYR   B CD1 1 
ATOM   1309 C CD2 . TYR   A 1 152 ? -25.952 -20.766 -14.687 1.00 9.00  ? 158 TYR   B CD2 1 
ATOM   1310 C CE1 . TYR   A 1 152 ? -27.156 -22.327 -12.762 1.00 9.86  ? 158 TYR   B CE1 1 
ATOM   1311 C CE2 . TYR   A 1 152 ? -26.365 -22.030 -15.002 1.00 9.69  ? 158 TYR   B CE2 1 
ATOM   1312 C CZ  . TYR   A 1 152 ? -26.969 -22.812 -14.040 1.00 9.55  ? 158 TYR   B CZ  1 
ATOM   1313 O OH  . TYR   A 1 152 ? -27.376 -24.106 -14.310 1.00 11.86 ? 158 TYR   B OH  1 
ATOM   1314 N N   . THR   A 1 153 ? -22.823 -20.685 -13.485 1.00 8.40  ? 159 THR   B N   1 
ATOM   1315 C CA  . THR   A 1 153 ? -22.015 -21.288 -14.556 1.00 8.88  ? 159 THR   B CA  1 
ATOM   1316 C C   . THR   A 1 153 ? -22.794 -22.388 -15.241 1.00 8.73  ? 159 THR   B C   1 
ATOM   1317 O O   . THR   A 1 153 ? -23.171 -23.375 -14.624 1.00 9.57  ? 159 THR   B O   1 
ATOM   1318 C CB  . THR   A 1 153 ? -20.676 -21.840 -14.010 1.00 9.79  ? 159 THR   B CB  1 
ATOM   1319 O OG1 . THR   A 1 153 ? -19.896 -20.726 -13.574 1.00 10.09 ? 159 THR   B OG1 1 
ATOM   1320 C CG2 . THR   A 1 153 ? -19.946 -22.646 -15.072 1.00 10.55 ? 159 THR   B CG2 1 
ATOM   1321 N N   . PHE   A 1 154 ? -23.013 -22.212 -16.562 1.00 8.92  ? 160 PHE   B N   1 
ATOM   1322 C CA  . PHE   A 1 154 ? -23.391 -23.323 -17.468 1.00 9.20  ? 160 PHE   B CA  1 
ATOM   1323 C C   . PHE   A 1 154 ? -22.080 -24.002 -17.902 1.00 9.25  ? 160 PHE   B C   1 
ATOM   1324 O O   . PHE   A 1 154 ? -21.214 -23.362 -18.480 1.00 10.05 ? 160 PHE   B O   1 
ATOM   1325 C CB  . PHE   A 1 154 ? -24.060 -22.835 -18.750 1.00 9.35  ? 160 PHE   B CB  1 
ATOM   1326 C CG  . PHE   A 1 154 ? -25.424 -22.201 -18.591 1.00 8.28  ? 160 PHE   B CG  1 
ATOM   1327 C CD1 . PHE   A 1 154 ? -25.614 -20.848 -18.322 1.00 7.83  ? 160 PHE   B CD1 1 
ATOM   1328 C CD2 . PHE   A 1 154 ? -26.557 -22.957 -18.781 1.00 8.34  ? 160 PHE   B CD2 1 
ATOM   1329 C CE1 . PHE   A 1 154 ? -26.891 -20.292 -18.242 1.00 8.69  ? 160 PHE   B CE1 1 
ATOM   1330 C CE2 . PHE   A 1 154 ? -27.834 -22.406 -18.691 1.00 8.93  ? 160 PHE   B CE2 1 
ATOM   1331 C CZ  . PHE   A 1 154 ? -27.988 -21.064 -18.436 1.00 8.24  ? 160 PHE   B CZ  1 
ATOM   1332 N N   . SER   A 1 155 ? -21.983 -25.292 -17.619 1.00 10.76 ? 161 SER   B N   1 
ATOM   1333 C CA  . SER   A 1 155 ? -20.835 -26.100 -18.078 1.00 12.01 ? 161 SER   B CA  1 
ATOM   1334 C C   . SER   A 1 155 ? -21.376 -27.236 -18.916 1.00 11.41 ? 161 SER   B C   1 
ATOM   1335 O O   . SER   A 1 155 ? -22.570 -27.491 -18.995 1.00 12.93 ? 161 SER   B O   1 
ATOM   1336 C CB  . SER   A 1 155 ? -20.012 -26.541 -16.905 1.00 12.86 ? 161 SER   B CB  1 
ATOM   1337 O OG  . SER   A 1 155 ? -20.678 -27.480 -16.115 1.00 16.74 ? 161 SER   B OG  1 
ATOM   1338 N N   . GLU   A 1 156 ? -20.451 -27.917 -19.603 1.00 13.86 ? 162 GLU   B N   1 
ATOM   1339 C CA  . GLU   A 1 156 ? -20.821 -28.995 -20.565 1.00 15.09 ? 162 GLU   B CA  1 
ATOM   1340 C C   . GLU   A 1 156 ? -21.742 -28.418 -21.640 1.00 13.46 ? 162 GLU   B C   1 
ATOM   1341 O O   . GLU   A 1 156 ? -22.671 -29.137 -22.118 1.00 14.54 ? 162 GLU   B O   1 
ATOM   1342 C CB  . GLU   A 1 156 ? -21.486 -30.177 -19.854 1.00 17.97 ? 162 GLU   B CB  1 
ATOM   1343 C CG  . GLU   A 1 156 ? -20.780 -30.655 -18.604 1.00 22.91 ? 162 GLU   B CG  1 
ATOM   1344 C CD  . GLU   A 1 156 ? -21.347 -32.004 -18.239 1.00 32.54 ? 162 GLU   B CD  1 
ATOM   1345 O OE1 . GLU   A 1 156 ? -22.433 -32.051 -17.612 1.00 33.65 ? 162 GLU   B OE1 1 
ATOM   1346 O OE2 . GLU   A 1 156 ? -20.786 -33.001 -18.725 1.00 39.11 ? 162 GLU   B OE2 1 
ATOM   1347 N N   . CYS   A 1 157 ? -21.517 -27.147 -22.008 1.00 12.46 ? 163 CYS   B N   1 
ATOM   1348 C CA  . CYS   A 1 157 ? -22.378 -26.520 -23.043 1.00 11.23 ? 163 CYS   B CA  1 
ATOM   1349 C C   . CYS   A 1 157 ? -22.135 -27.202 -24.394 1.00 12.15 ? 163 CYS   B C   1 
ATOM   1350 O O   . CYS   A 1 157 ? -20.942 -27.422 -24.744 1.00 13.52 ? 163 CYS   B O   1 
ATOM   1351 C CB  . CYS   A 1 157 ? -22.165 -25.008 -23.198 1.00 10.70 ? 163 CYS   B CB  1 
ATOM   1352 S SG  . CYS   A 1 157 ? -22.574 -24.082 -21.699 1.00 10.96 ? 163 CYS   B SG  1 
ATOM   1353 N N   . VAL   A 1 158 ? -23.190 -27.405 -25.151 1.00 11.66 ? 164 VAL   B N   1 
ATOM   1354 C CA  . VAL   A 1 158 ? -23.049 -27.916 -26.536 1.00 13.31 ? 164 VAL   B CA  1 
ATOM   1355 C C   . VAL   A 1 158 ? -23.503 -26.767 -27.444 1.00 12.13 ? 164 VAL   B C   1 
ATOM   1356 O O   . VAL   A 1 158 ? -24.672 -26.692 -27.800 1.00 13.91 ? 164 VAL   B O   1 
ATOM   1357 C CB  . VAL   A 1 158 ? -23.781 -29.280 -26.675 1.00 15.25 ? 164 VAL   B CB  1 
ATOM   1358 C CG1 . VAL   A 1 158 ? -23.676 -29.774 -28.122 1.00 15.57 ? 164 VAL   B CG1 1 
ATOM   1359 C CG2 . VAL   A 1 158 ? -23.266 -30.334 -25.689 1.00 16.47 ? 164 VAL   B CG2 1 
ATOM   1360 N N   . PHE   A 1 159 ? -22.614 -25.836 -27.779 1.00 11.05 ? 165 PHE   B N   1 
ATOM   1361 C CA  . PHE   A 1 159 ? -22.946 -24.598 -28.513 1.00 11.76 ? 165 PHE   B CA  1 
ATOM   1362 C C   . PHE   A 1 159 ? -23.518 -24.984 -29.866 1.00 12.07 ? 165 PHE   B C   1 
ATOM   1363 O O   . PHE   A 1 159 ? -24.528 -24.395 -30.305 1.00 13.40 ? 165 PHE   B O   1 
ATOM   1364 C CB  . PHE   A 1 159 ? -21.754 -23.664 -28.546 1.00 10.86 ? 165 PHE   B CB  1 
ATOM   1365 C CG  . PHE   A 1 159 ? -21.317 -23.163 -27.182 1.00 10.23 ? 165 PHE   B CG  1 
ATOM   1366 C CD1 . PHE   A 1 159 ? -22.254 -22.651 -26.276 1.00 9.89  ? 165 PHE   B CD1 1 
ATOM   1367 C CD2 . PHE   A 1 159 ? -19.977 -23.152 -26.814 1.00 10.96 ? 165 PHE   B CD2 1 
ATOM   1368 C CE1 . PHE   A 1 159 ? -21.850 -22.187 -25.025 1.00 10.35 ? 165 PHE   B CE1 1 
ATOM   1369 C CE2 . PHE   A 1 159 ? -19.564 -22.702 -25.563 1.00 11.10 ? 165 PHE   B CE2 1 
ATOM   1370 C CZ  . PHE   A 1 159 ? -20.507 -22.179 -24.685 1.00 11.04 ? 165 PHE   B CZ  1 
ATOM   1371 N N   . ALA   A 1 160 ? -22.823 -25.862 -30.609 1.00 11.68 ? 166 ALA   B N   1 
ATOM   1372 C CA  . ALA   A 1 160 ? -23.282 -26.429 -31.896 1.00 11.93 ? 166 ALA   B CA  1 
ATOM   1373 C C   . ALA   A 1 160 ? -23.415 -25.356 -32.971 1.00 11.63 ? 166 ALA   B C   1 
ATOM   1374 O O   . ALA   A 1 160 ? -24.244 -25.578 -33.929 1.00 13.09 ? 166 ALA   B O   1 
ATOM   1375 C CB  . ALA   A 1 160 ? -24.536 -27.202 -31.719 1.00 13.37 ? 166 ALA   B CB  1 
ATOM   1376 N N   . GLY   A 1 161 ? -22.630 -24.324 -32.901 1.00 12.07 ? 167 GLY   B N   1 
ATOM   1377 C CA  . GLY   A 1 161 ? -22.677 -23.242 -33.890 1.00 13.15 ? 167 GLY   B CA  1 
ATOM   1378 C C   . GLY   A 1 161 ? -21.949 -22.014 -33.398 1.00 11.57 ? 167 GLY   B C   1 
ATOM   1379 O O   . GLY   A 1 161 ? -21.529 -21.966 -32.201 1.00 11.53 ? 167 GLY   B O   1 
ATOM   1380 N N   . PRO   A 1 162 ? -21.824 -20.993 -34.225 1.00 10.62 ? 168 PRO   B N   1 
ATOM   1381 C CA  . PRO   A 1 162 ? -21.355 -19.697 -33.771 1.00 10.75 ? 168 PRO   B CA  1 
ATOM   1382 C C   . PRO   A 1 162 ? -22.298 -19.127 -32.687 1.00 10.95 ? 168 PRO   B C   1 
ATOM   1383 O O   . PRO   A 1 162 ? -23.523 -19.337 -32.785 1.00 10.57 ? 168 PRO   B O   1 
ATOM   1384 C CB  . PRO   A 1 162 ? -21.332 -18.796 -35.016 1.00 11.85 ? 168 PRO   B CB  1 
ATOM   1385 C CG  . PRO   A 1 162 ? -21.476 -19.813 -36.168 1.00 11.96 ? 168 PRO   B CG  1 
ATOM   1386 C CD  . PRO   A 1 162 ? -22.253 -20.958 -35.637 1.00 11.25 ? 168 PRO   B CD  1 
ATOM   1387 N N   . LEU   A 1 163 ? -21.717 -18.351 -31.780 1.00 10.20 ? 169 LEU   B N   1 
ATOM   1388 C CA  . LEU   A 1 163 ? -22.485 -17.679 -30.682 1.00 9.99  ? 169 LEU   B CA  1 
ATOM   1389 C C   . LEU   A 1 163 ? -22.585 -16.197 -30.948 1.00 10.48 ? 169 LEU   B C   1 
ATOM   1390 O O   . LEU   A 1 163 ? -21.633 -15.569 -31.422 1.00 11.67 ? 169 LEU   B O   1 
ATOM   1391 C CB  . LEU   A 1 163 ? -21.794 -17.929 -29.337 1.00 10.43 ? 169 LEU   B CB  1 
ATOM   1392 C CG  . LEU   A 1 163 ? -21.845 -19.358 -28.799 1.00 11.81 ? 169 LEU   B CG  1 
ATOM   1393 C CD1 . LEU   A 1 163 ? -21.005 -19.435 -27.538 1.00 11.29 ? 169 LEU   B CD1 1 
ATOM   1394 C CD2 . LEU   A 1 163 ? -23.266 -19.831 -28.553 1.00 11.55 ? 169 LEU   B CD2 1 
ATOM   1395 N N   . ARG   A 1 164 ? -23.721 -15.635 -30.546 1.00 9.55  ? 170 ARG   B N   1 
ATOM   1396 C CA  . ARG   A 1 164 ? -23.923 -14.185 -30.512 1.00 9.77  ? 170 ARG   B CA  1 
ATOM   1397 C C   . ARG   A 1 164 ? -24.340 -13.710 -29.126 1.00 8.52  ? 170 ARG   B C   1 
ATOM   1398 O O   . ARG   A 1 164 ? -25.110 -14.377 -28.462 1.00 8.91  ? 170 ARG   B O   1 
ATOM   1399 C CB  . ARG   A 1 164 ? -24.988 -13.815 -31.544 1.00 10.64 ? 170 ARG   B CB  1 
ATOM   1400 C CG  . ARG   A 1 164 ? -24.539 -14.188 -32.962 1.00 13.07 ? 170 ARG   B CG  1 
ATOM   1401 C CD  . ARG   A 1 164 ? -25.461 -13.782 -34.083 1.00 13.55 ? 170 ARG   B CD  1 
ATOM   1402 N NE  . ARG   A 1 164 ? -25.479 -12.346 -34.196 1.00 13.95 ? 170 ARG   B NE  1 
ATOM   1403 C CZ  . ARG   A 1 164 ? -26.172 -11.735 -35.141 1.00 14.66 ? 170 ARG   B CZ  1 
ATOM   1404 N NH1 . ARG   A 1 164 ? -26.784 -12.443 -36.063 1.00 15.08 ? 170 ARG   B NH1 1 
ATOM   1405 N NH2 . ARG   A 1 164 ? -26.214 -10.430 -35.137 1.00 13.82 ? 170 ARG   B NH2 1 
ATOM   1406 N N   . PRO   A 1 165 ? -23.888 -12.526 -28.705 1.00 8.54  ? 171 PRO   B N   1 
ATOM   1407 C CA  . PRO   A 1 165 ? -24.425 -11.922 -27.482 1.00 8.65  ? 171 PRO   B CA  1 
ATOM   1408 C C   . PRO   A 1 165 ? -25.944 -11.733 -27.633 1.00 8.02  ? 171 PRO   B C   1 
ATOM   1409 O O   . PRO   A 1 165 ? -26.445 -11.393 -28.704 1.00 9.00  ? 171 PRO   B O   1 
ATOM   1410 C CB  . PRO   A 1 165 ? -23.733 -10.558 -27.380 1.00 9.14  ? 171 PRO   B CB  1 
ATOM   1411 C CG  . PRO   A 1 165 ? -22.439 -10.769 -28.202 1.00 10.27 ? 171 PRO   B CG  1 
ATOM   1412 C CD  . PRO   A 1 165 ? -22.873 -11.665 -29.337 1.00 9.99  ? 171 PRO   B CD  1 
ATOM   1413 N N   . PHE   A 1 166 ? -26.671 -12.021 -26.554 1.00 7.74  ? 172 PHE   B N   1 
ATOM   1414 C CA  . PHE   A 1 166 ? -28.143 -12.047 -26.521 1.00 8.11  ? 172 PHE   B CA  1 
ATOM   1415 C C   . PHE   A 1 166 ? -28.656 -11.097 -25.430 1.00 7.49  ? 172 PHE   B C   1 
ATOM   1416 O O   . PHE   A 1 166 ? -28.162 -11.107 -24.293 1.00 8.04  ? 172 PHE   B O   1 
ATOM   1417 C CB  . PHE   A 1 166 ? -28.637 -13.471 -26.249 1.00 8.35  ? 172 PHE   B CB  1 
ATOM   1418 C CG  . PHE   A 1 166 ? -30.138 -13.551 -26.073 1.00 7.99  ? 172 PHE   B CG  1 
ATOM   1419 C CD1 . PHE   A 1 166 ? -30.987 -13.539 -27.167 1.00 8.88  ? 172 PHE   B CD1 1 
ATOM   1420 C CD2 . PHE   A 1 166 ? -30.716 -13.590 -24.823 1.00 9.29  ? 172 PHE   B CD2 1 
ATOM   1421 C CE1 . PHE   A 1 166 ? -32.358 -13.589 -27.007 1.00 9.21  ? 172 PHE   B CE1 1 
ATOM   1422 C CE2 . PHE   A 1 166 ? -32.083 -13.549 -24.665 1.00 9.34  ? 172 PHE   B CE2 1 
ATOM   1423 C CZ  . PHE   A 1 166 ? -32.906 -13.611 -25.758 1.00 10.01 ? 172 PHE   B CZ  1 
ATOM   1424 N N   . PHE   A 1 167 ? -29.732 -10.345 -25.770 1.00 7.71  ? 173 PHE   B N   1 
ATOM   1425 C CA  . PHE   A 1 167 ? -30.333 -9.334  -24.877 1.00 7.75  ? 173 PHE   B CA  1 
ATOM   1426 C C   . PHE   A 1 167 ? -31.857 -9.386  -24.993 1.00 8.11  ? 173 PHE   B C   1 
ATOM   1427 O O   . PHE   A 1 167 ? -32.389 -9.419  -26.126 1.00 8.69  ? 173 PHE   B O   1 
ATOM   1428 C CB  . PHE   A 1 167 ? -29.885 -7.915  -25.260 1.00 8.02  ? 173 PHE   B CB  1 
ATOM   1429 C CG  . PHE   A 1 167 ? -28.380 -7.766  -25.377 1.00 8.14  ? 173 PHE   B CG  1 
ATOM   1430 C CD1 . PHE   A 1 167 ? -27.718 -8.069  -26.558 1.00 8.18  ? 173 PHE   B CD1 1 
ATOM   1431 C CD2 . PHE   A 1 167 ? -27.605 -7.295  -24.320 1.00 9.58  ? 173 PHE   B CD2 1 
ATOM   1432 C CE1 . PHE   A 1 167 ? -26.338 -7.996  -26.654 1.00 8.78  ? 173 PHE   B CE1 1 
ATOM   1433 C CE2 . PHE   A 1 167 ? -26.231 -7.196  -24.422 1.00 10.06 ? 173 PHE   B CE2 1 
ATOM   1434 C CZ  . PHE   A 1 167 ? -25.604 -7.523  -25.598 1.00 10.04 ? 173 PHE   B CZ  1 
ATOM   1435 N N   . ASN   A 1 168 ? -32.537 -9.222  -23.869 1.00 7.98  ? 174 ASN   B N   1 
ATOM   1436 C CA  . ASN   A 1 168 ? -33.985 -8.955  -23.820 1.00 7.97  ? 174 ASN   B CA  1 
ATOM   1437 C C   . ASN   A 1 168 ? -34.199 -7.828  -22.842 1.00 7.82  ? 174 ASN   B C   1 
ATOM   1438 O O   . ASN   A 1 168 ? -33.869 -7.982  -21.642 1.00 8.21  ? 174 ASN   B O   1 
ATOM   1439 C CB  . ASN   A 1 168 ? -34.759 -10.185 -23.402 1.00 8.77  ? 174 ASN   B CB  1 
ATOM   1440 C CG  . ASN   A 1 168 ? -36.261 -10.011 -23.496 1.00 9.45  ? 174 ASN   B CG  1 
ATOM   1441 O OD1 . ASN   A 1 168 ? -36.779 -8.942  -23.836 1.00 10.52 ? 174 ASN   B OD1 1 
ATOM   1442 N ND2 . ASN   A 1 168 ? -37.005 -11.034 -23.193 1.00 10.71 ? 174 ASN   B ND2 1 
ATOM   1443 N N   . VAL   A 1 169 ? -34.735 -6.677  -23.299 1.00 7.72  ? 175 VAL   B N   1 
ATOM   1444 C CA  . VAL   A 1 169 ? -35.015 -5.538  -22.390 1.00 8.21  ? 175 VAL   B CA  1 
ATOM   1445 C C   . VAL   A 1 169 ? -36.249 -5.788  -21.534 1.00 7.86  ? 175 VAL   B C   1 
ATOM   1446 O O   . VAL   A 1 169 ? -36.491 -4.992  -20.596 1.00 8.80  ? 175 VAL   B O   1 
ATOM   1447 C CB  . VAL   A 1 169 ? -35.125 -4.185  -23.122 1.00 8.67  ? 175 VAL   B CB  1 
ATOM   1448 C CG1 . VAL   A 1 169 ? -33.845 -3.819  -23.864 1.00 9.67  ? 175 VAL   B CG1 1 
ATOM   1449 C CG2 . VAL   A 1 169 ? -36.314 -4.154  -24.073 1.00 9.06  ? 175 VAL   B CG2 1 
ATOM   1450 N N   . GLY   A 1 170 ? -37.008 -6.823  -21.851 1.00 8.53  ? 176 GLY   B N   1 
ATOM   1451 C CA  . GLY   A 1 170 ? -38.261 -7.118  -21.137 1.00 9.21  ? 176 GLY   B CA  1 
ATOM   1452 C C   . GLY   A 1 170 ? -39.409 -6.238  -21.565 1.00 9.05  ? 176 GLY   B C   1 
ATOM   1453 O O   . GLY   A 1 170 ? -39.257 -5.168  -22.125 1.00 8.82  ? 176 GLY   B O   1 
ATOM   1454 N N   . PHE   A 1 171 ? -40.608 -6.760  -21.290 0.46 9.48  ? 177 PHE   B N   1 
ATOM   1455 C CA  . PHE   A 1 171 ? -41.905 -6.064  -21.497 0.46 9.42  ? 177 PHE   B CA  1 
ATOM   1456 C C   . PHE   A 1 171 ? -41.996 -4.866  -20.537 0.46 9.61  ? 177 PHE   B C   1 
ATOM   1457 O O   . PHE   A 1 171 ? -41.278 -4.910  -19.529 0.46 9.33  ? 177 PHE   B O   1 
ATOM   1458 C CB  . PHE   A 1 171 ? -43.059 -7.064  -21.336 0.46 9.71  ? 177 PHE   B CB  1 
ATOM   1459 C CG  . PHE   A 1 171 ? -43.149 -8.153  -22.381 0.46 9.61  ? 177 PHE   B CG  1 
ATOM   1460 C CD1 . PHE   A 1 171 ? -43.273 -7.835  -23.722 0.46 10.04 ? 177 PHE   B CD1 1 
ATOM   1461 C CD2 . PHE   A 1 171 ? -43.137 -9.493  -22.030 0.46 10.48 ? 177 PHE   B CD2 1 
ATOM   1462 C CE1 . PHE   A 1 171 ? -43.394 -8.821  -24.684 0.46 10.26 ? 177 PHE   B CE1 1 
ATOM   1463 C CE2 . PHE   A 1 171 ? -43.238 -10.480 -23.004 0.46 10.49 ? 177 PHE   B CE2 1 
ATOM   1464 C CZ  . PHE   A 1 171 ? -43.378 -10.137 -24.328 0.46 10.56 ? 177 PHE   B CZ  1 
ATOM   1465 N N   . ASN   A 1 172 ? -42.828 -3.844  -20.825 1.00 10.09 ? 178 ASN   B N   1 
ATOM   1466 C CA  . ASN   A 1 172 ? -43.052 -2.697  -19.924 1.00 10.16 ? 178 ASN   B CA  1 
ATOM   1467 C C   . ASN   A 1 172 ? -44.573 -2.542  -19.728 1.00 10.79 ? 178 ASN   B C   1 
ATOM   1468 O O   . ASN   A 1 172 ? -45.065 -1.410  -19.809 1.00 13.35 ? 178 ASN   B O   1 
ATOM   1469 C CB  . ASN   A 1 172 ? -42.381 -1.428  -20.404 1.00 11.33 ? 178 ASN   B CB  1 
ATOM   1470 C CG  . ASN   A 1 172 ? -42.412 -0.344  -19.371 1.00 11.21 ? 178 ASN   B CG  1 
ATOM   1471 O OD1 . ASN   A 1 172 ? -42.493 -0.569  -18.166 1.00 11.82 ? 178 ASN   B OD1 1 
ATOM   1472 N ND2 . ASN   A 1 172 ? -42.353 0.895   -19.827 1.00 12.92 ? 178 ASN   B ND2 1 
ATOM   1473 N N   . TYR   A 1 173 ? -45.242 -3.594  -19.343 1.00 10.92 ? 179 TYR   B N   1 
ATOM   1474 C CA  . TYR   A 1 173 ? -46.671 -3.513  -18.942 1.00 10.01 ? 179 TYR   B CA  1 
ATOM   1475 C C   . TYR   A 1 173 ? -46.822 -2.687  -17.678 1.00 10.14 ? 179 TYR   B C   1 
ATOM   1476 O O   . TYR   A 1 173 ? -47.891 -2.003  -17.520 1.00 12.03 ? 179 TYR   B O   1 
ATOM   1477 C CB  . TYR   A 1 173 ? -47.236 -4.912  -18.717 1.00 10.45 ? 179 TYR   B CB  1 
ATOM   1478 C CG  . TYR   A 1 173 ? -47.365 -5.775  -19.955 1.00 11.83 ? 179 TYR   B CG  1 
ATOM   1479 C CD1 . TYR   A 1 173 ? -48.393 -5.596  -20.887 1.00 13.59 ? 179 TYR   B CD1 1 
ATOM   1480 C CD2 . TYR   A 1 173 ? -46.507 -6.858  -20.149 1.00 13.55 ? 179 TYR   B CD2 1 
ATOM   1481 C CE1 . TYR   A 1 173 ? -48.474 -6.385  -22.032 1.00 14.03 ? 179 TYR   B CE1 1 
ATOM   1482 C CE2 . TYR   A 1 173 ? -46.585 -7.638  -21.305 1.00 13.22 ? 179 TYR   B CE2 1 
ATOM   1483 C CZ  . TYR   A 1 173 ? -47.572 -7.409  -22.229 1.00 15.03 ? 179 TYR   B CZ  1 
ATOM   1484 O OH  . TYR   A 1 173 ? -47.739 -8.208  -23.356 1.00 18.16 ? 179 TYR   B OH  1 
ATOM   1485 N N   . SER   A 1 174 ? -45.874 -2.695  -16.754 1.00 9.88  ? 180 SER   B N   1 
ATOM   1486 C CA  . SER   A 1 174 ? -46.003 -2.055  -15.437 1.00 10.68 ? 180 SER   B CA  1 
ATOM   1487 C C   . SER   A 1 174 ? -45.747 -0.549  -15.486 1.00 10.67 ? 180 SER   B C   1 
ATOM   1488 O O   . SER   A 1 174 ? -46.088 0.169   -14.519 1.00 12.08 ? 180 SER   B O   1 
ATOM   1489 C CB  . SER   A 1 174 ? -45.062 -2.642  -14.441 1.00 10.31 ? 180 SER   B CB  1 
ATOM   1490 O OG  . SER   A 1 174 ? -43.709 -2.357  -14.884 1.00 10.57 ? 180 SER   B OG  1 
ATOM   1491 N N   . GLY   A 1 175 ? -45.068 -0.046  -16.516 1.00 10.40 ? 181 GLY   B N   1 
ATOM   1492 C CA  . GLY   A 1 175 ? -44.560 1.334   -16.483 1.00 11.23 ? 181 GLY   B CA  1 
ATOM   1493 C C   . GLY   A 1 175 ? -43.338 1.497   -15.599 1.00 11.74 ? 181 GLY   B C   1 
ATOM   1494 O O   . GLY   A 1 175 ? -42.859 2.642   -15.465 1.00 12.91 ? 181 GLY   B O   1 
ATOM   1495 N N   . GLY   A 1 176 ? -42.804 0.423   -15.009 1.00 10.19 ? 182 GLY   B N   1 
ATOM   1496 C CA  . GLY   A 1 176 ? -41.590 0.464   -14.195 1.00 10.43 ? 182 GLY   B CA  1 
ATOM   1497 C C   . GLY   A 1 176 ? -40.376 -0.138  -14.884 1.00 10.07 ? 182 GLY   B C   1 
ATOM   1498 O O   . GLY   A 1 176 ? -39.324 -0.174  -14.207 1.00 11.56 ? 182 GLY   B O   1 
ATOM   1499 N N   . ASN   A 1 177 ? -40.457 -0.567  -16.110 1.00 9.07  ? 183 ASN   B N   1 
ATOM   1500 C CA  . ASN   A 1 177 ? -39.351 -1.289  -16.771 1.00 8.89  ? 183 ASN   B CA  1 
ATOM   1501 C C   . ASN   A 1 177 ? -38.896 -0.588  -18.055 1.00 9.21  ? 183 ASN   B C   1 
ATOM   1502 O O   . ASN   A 1 177 ? -38.327 -1.261  -18.923 1.00 10.17 ? 183 ASN   B O   1 
ATOM   1503 C CB  . ASN   A 1 177 ? -39.718 -2.742  -17.075 1.00 8.81  ? 183 ASN   B CB  1 
ATOM   1504 C CG  . ASN   A 1 177 ? -38.490 -3.612  -17.333 1.00 8.59  ? 183 ASN   B CG  1 
ATOM   1505 O OD1 . ASN   A 1 177 ? -37.453 -3.386  -16.699 1.00 9.01  ? 183 ASN   B OD1 1 
ATOM   1506 N ND2 . ASN   A 1 177 ? -38.606 -4.516  -18.292 1.00 8.83  ? 183 ASN   B ND2 1 
ATOM   1507 N N   . ALA   A 1 178 ? -38.993 0.747   -18.136 1.00 10.02 ? 184 ALA   B N   1 
ATOM   1508 C CA  . ALA   A 1 178 ? -38.597 1.462   -19.369 1.00 10.98 ? 184 ALA   B CA  1 
ATOM   1509 C C   . ALA   A 1 178 ? -37.082 1.606   -19.498 1.00 10.72 ? 184 ALA   B C   1 
ATOM   1510 O O   . ALA   A 1 178 ? -36.616 1.915   -20.603 1.00 11.97 ? 184 ALA   B O   1 
ATOM   1511 C CB  . ALA   A 1 178 ? -39.255 2.870   -19.386 1.00 11.83 ? 184 ALA   B CB  1 
ATOM   1512 N N   . ALA   A 1 179 ? -36.335 1.466   -18.417 1.00 9.96  ? 185 ALA   B N   1 
ATOM   1513 C CA  . ALA   A 1 179 ? -34.889 1.784   -18.470 1.00 9.97  ? 185 ALA   B CA  1 
ATOM   1514 C C   . ALA   A 1 179 ? -34.167 0.904   -19.490 1.00 9.66  ? 185 ALA   B C   1 
ATOM   1515 O O   . ALA   A 1 179 ? -34.518 -0.260  -19.763 1.00 9.93  ? 185 ALA   B O   1 
ATOM   1516 C CB  . ALA   A 1 179 ? -34.283 1.623   -17.092 1.00 10.45 ? 185 ALA   B CB  1 
ATOM   1517 N N   . PRO   A 1 180 ? -33.059 1.416   -20.054 1.00 9.64  ? 186 PRO   B N   1 
ATOM   1518 C CA  . PRO   A 1 180 ? -32.296 0.664   -21.050 1.00 9.99  ? 186 PRO   B CA  1 
ATOM   1519 C C   . PRO   A 1 180 ? -31.376 -0.441  -20.472 1.00 9.17  ? 186 PRO   B C   1 
ATOM   1520 O O   . PRO   A 1 180 ? -31.041 -0.436  -19.312 1.00 10.36 ? 186 PRO   B O   1 
ATOM   1521 C CB  . PRO   A 1 180 ? -31.395 1.752   -21.680 1.00 10.46 ? 186 PRO   B CB  1 
ATOM   1522 C CG  . PRO   A 1 180 ? -31.177 2.723   -20.574 1.00 12.70 ? 186 PRO   B CG  1 
ATOM   1523 C CD  . PRO   A 1 180 ? -32.521 2.780   -19.856 1.00 11.31 ? 186 PRO   B CD  1 
ATOM   1524 N N   . LEU   A 1 181 ? -30.986 -1.362  -21.356 1.00 9.93  ? 187 LEU   B N   1 
ATOM   1525 C CA  . LEU   A 1 181 ? -29.734 -2.148  -21.196 1.00 9.67  ? 187 LEU   B CA  1 
ATOM   1526 C C   . LEU   A 1 181 ? -28.604 -1.352  -21.829 1.00 9.78  ? 187 LEU   B C   1 
ATOM   1527 O O   . LEU   A 1 181 ? -28.759 -0.836  -22.949 1.00 11.99 ? 187 LEU   B O   1 
ATOM   1528 C CB  . LEU   A 1 181 ? -29.872 -3.506  -21.829 1.00 9.39  ? 187 LEU   B CB  1 
ATOM   1529 C CG  . LEU   A 1 181 ? -30.896 -4.457  -21.189 1.00 10.05 ? 187 LEU   B CG  1 
ATOM   1530 C CD1 . LEU   A 1 181 ? -31.072 -5.726  -21.994 1.00 11.39 ? 187 LEU   B CD1 1 
ATOM   1531 C CD2 . LEU   A 1 181 ? -30.560 -4.828  -19.764 1.00 11.81 ? 187 LEU   B CD2 1 
ATOM   1532 N N   . LYS   A 1 182 ? -27.452 -1.299  -21.160 1.00 9.73  ? 188 LYS   B N   1 
ATOM   1533 C CA  . LYS   A 1 182 ? -26.285 -0.544  -21.690 1.00 10.82 ? 188 LYS   B CA  1 
ATOM   1534 C C   . LYS   A 1 182 ? -25.056 -1.431  -21.643 1.00 11.26 ? 188 LYS   B C   1 
ATOM   1535 O O   . LYS   A 1 182 ? -24.715 -1.958  -20.552 1.00 12.11 ? 188 LYS   B O   1 
ATOM   1536 C CB  . LYS   A 1 182 ? -26.005 0.758   -20.930 1.00 12.24 ? 188 LYS   B CB  1 
ATOM   1537 C CG  . LYS   A 1 182 ? -27.165 1.728   -20.761 1.00 14.65 ? 188 LYS   B CG  1 
ATOM   1538 C CD  . LYS   A 1 182 ? -26.766 3.064   -20.116 1.00 17.70 ? 188 LYS   B CD  1 
ATOM   1539 C CE  . LYS   A 1 182 ? -27.943 3.902   -19.671 1.00 21.64 ? 188 LYS   B CE  1 
ATOM   1540 N NZ  . LYS   A 1 182 ? -27.453 5.080   -18.907 1.00 27.27 ? 188 LYS   B NZ  1 
ATOM   1541 N N   . LEU   A 1 183 ? -24.334 -1.510  -22.733 1.00 10.88 ? 189 LEU   B N   1 
ATOM   1542 C CA  . LEU   A 1 183 ? -22.996 -2.176  -22.731 1.00 11.21 ? 189 LEU   B CA  1 
ATOM   1543 C C   . LEU   A 1 183 ? -22.004 -1.221  -22.070 1.00 12.92 ? 189 LEU   B C   1 
ATOM   1544 O O   . LEU   A 1 183 ? -21.835 -0.063  -22.590 1.00 15.32 ? 189 LEU   B O   1 
ATOM   1545 C CB  . LEU   A 1 183 ? -22.624 -2.546  -24.173 1.00 12.17 ? 189 LEU   B CB  1 
ATOM   1546 C CG  . LEU   A 1 183 ? -23.347 -3.808  -24.657 1.00 13.06 ? 189 LEU   B CG  1 
ATOM   1547 C CD1 . LEU   A 1 183 ? -23.530 -3.876  -26.155 1.00 15.77 ? 189 LEU   B CD1 1 
ATOM   1548 C CD2 . LEU   A 1 183 ? -22.716 -5.084  -24.093 1.00 11.19 ? 189 LEU   B CD2 1 
ATOM   1549 N N   . CYS   A 1 184 ? -21.341 -1.677  -21.017 1.00 14.05 ? 190 CYS   B N   1 
ATOM   1550 C CA  . CYS   A 1 184 ? -20.419 -0.861  -20.176 1.00 16.97 ? 190 CYS   B CA  1 
ATOM   1551 C C   . CYS   A 1 184 ? -19.051 -0.790  -20.814 1.00 18.08 ? 190 CYS   B C   1 
ATOM   1552 O O   . CYS   A 1 184 ? -18.592 -1.736  -21.425 1.00 20.75 ? 190 CYS   B O   1 
ATOM   1553 C CB  . CYS   A 1 184 ? -20.112 -1.561  -18.863 1.00 19.39 ? 190 CYS   B CB  1 
ATOM   1554 S SG  . CYS   A 1 184 ? -21.556 -2.029  -17.922 1.00 19.76 ? 190 CYS   B SG  1 
ATOM   1555 N N   . PRO   A 1 185 ? -18.349 0.355   -20.666 1.00 22.49 ? 191 PRO   B N   1 
ATOM   1556 C CA  . PRO   A 1 185 ? -17.035 0.528   -21.259 1.00 27.74 ? 191 PRO   B CA  1 
ATOM   1557 C C   . PRO   A 1 185 ? -16.044 -0.394  -20.549 1.00 27.67 ? 191 PRO   B C   1 
ATOM   1558 O O   . PRO   A 1 185 ? -16.212 -0.652  -19.347 1.00 28.30 ? 191 PRO   B O   1 
ATOM   1559 C CB  . PRO   A 1 185 ? -16.746 2.029   -21.079 1.00 27.68 ? 191 PRO   B CB  1 
ATOM   1560 C CG  . PRO   A 1 185 ? -17.626 2.470   -19.947 1.00 28.02 ? 191 PRO   B CG  1 
ATOM   1561 C CD  . PRO   A 1 185 ? -18.843 1.572   -20.009 1.00 25.56 ? 191 PRO   B CD  1 
ATOM   1562 N N   . LEU   A 1 186 ? -15.091 -0.879  -21.349 1.00 33.77 ? 192 LEU   B N   1 
ATOM   1563 C CA  . LEU   A 1 186 ? -13.810 -1.548  -20.999 1.00 36.71 ? 192 LEU   B CA  1 
ATOM   1564 C C   . LEU   A 1 186 ? -12.940 -0.601  -20.171 1.00 41.40 ? 192 LEU   B C   1 
ATOM   1565 O O   . LEU   A 1 186 ? -12.166 -1.083  -19.340 1.00 48.42 ? 192 LEU   B O   1 
ATOM   1566 C CB  . LEU   A 1 186 ? -13.096 -1.907  -22.306 1.00 37.26 ? 192 LEU   B CB  1 
HETATM 1567 N N1  . A1A3S B 2 .   ? -44.654 -5.170  -28.345 0.46 9.77  ? 401 A1A3S B N1  1 
HETATM 1568 C C4  . A1A3S B 2 .   ? -43.528 -7.237  -28.984 0.46 10.18 ? 401 A1A3S B C4  1 
HETATM 1569 C C5  . A1A3S B 2 .   ? -42.292 -6.853  -28.192 0.46 10.09 ? 401 A1A3S B C5  1 
HETATM 1570 C C6  . A1A3S B 2 .   ? -42.662 -5.862  -27.105 0.46 9.71  ? 401 A1A3S B C6  1 
HETATM 1571 C C7  . A1A3S B 2 .   ? -43.465 -4.694  -27.651 0.46 9.79  ? 401 A1A3S B C7  1 
HETATM 1572 C C8  . A1A3S B 2 .   ? -46.738 -3.243  -23.411 0.46 10.77 ? 401 A1A3S B C8  1 
HETATM 1573 O O2  . A1A3S B 2 .   ? -44.509 -4.612  -23.250 0.46 11.25 ? 401 A1A3S B O2  1 
HETATM 1574 S S   . A1A3S B 2 .   ? -45.252 -3.810  -24.175 0.46 10.02 ? 401 A1A3S B S   1 
HETATM 1575 O O1  . A1A3S B 2 .   ? -44.592 -2.674  -24.732 0.46 10.41 ? 401 A1A3S B O1  1 
HETATM 1576 N N   . A1A3S B 2 .   ? -45.656 -4.754  -25.444 0.46 10.19 ? 401 A1A3S B N   1 
HETATM 1577 C C   . A1A3S B 2 .   ? -46.318 -6.026  -25.161 0.46 10.50 ? 401 A1A3S B C   1 
HETATM 1578 C C1  . A1A3S B 2 .   ? -46.179 -4.130  -26.674 0.46 10.33 ? 401 A1A3S B C1  1 
HETATM 1579 C C2  . A1A3S B 2 .   ? -45.917 -4.948  -27.937 0.46 10.02 ? 401 A1A3S B C2  1 
HETATM 1580 O O   . A1A3S B 2 .   ? -46.874 -5.439  -28.538 0.46 10.86 ? 401 A1A3S B O   1 
HETATM 1581 C C3  . A1A3S B 2 .   ? -44.270 -6.005  -29.478 0.46 10.03 ? 401 A1A3S B C3  1 
HETATM 1582 C C1  . EDO   C 3 .   ? -50.488 -17.041 -33.068 1.00 35.82 ? 402 EDO   B C1  1 
HETATM 1583 O O1  . EDO   C 3 .   ? -49.152 -16.598 -33.014 1.00 30.71 ? 402 EDO   B O1  1 
HETATM 1584 C C2  . EDO   C 3 .   ? -51.140 -16.987 -31.753 1.00 36.36 ? 402 EDO   B C2  1 
HETATM 1585 O O2  . EDO   C 3 .   ? -51.313 -15.653 -31.335 1.00 45.16 ? 402 EDO   B O2  1 
HETATM 1586 S S   . SO4   D 4 .   ? -40.461 -24.436 -26.248 1.00 32.23 ? 403 SO4   B S   1 
HETATM 1587 O O1  . SO4   D 4 .   ? -39.716 -23.470 -26.999 1.00 22.92 ? 403 SO4   B O1  1 
HETATM 1588 O O2  . SO4   D 4 .   ? -41.383 -25.122 -27.113 1.00 40.02 ? 403 SO4   B O2  1 
HETATM 1589 O O3  . SO4   D 4 .   ? -39.517 -25.383 -25.688 1.00 38.14 ? 403 SO4   B O3  1 
HETATM 1590 O O4  . SO4   D 4 .   ? -41.175 -23.806 -25.160 1.00 35.33 ? 403 SO4   B O4  1 
HETATM 1591 O O   . HOH   E 5 .   ? -47.055 -16.618 -31.925 1.00 24.25 ? 501 HOH   B O   1 
HETATM 1592 O O   . HOH   E 5 .   ? -26.909 -28.444 -27.802 1.00 19.41 ? 502 HOH   B O   1 
HETATM 1593 O O   . HOH   E 5 .   ? -22.687 -1.763  -9.687  1.00 24.57 ? 503 HOH   B O   1 
HETATM 1594 O O   . HOH   E 5 .   ? -43.698 -0.388  -24.481 1.00 31.54 ? 504 HOH   B O   1 
HETATM 1595 O O   . HOH   E 5 .   ? -18.685 -21.929 -35.733 1.00 14.97 ? 505 HOH   B O   1 
HETATM 1596 O O   . HOH   E 5 .   ? -13.431 -23.513 -31.575 1.00 13.10 ? 506 HOH   B O   1 
HETATM 1597 O O   . HOH   E 5 .   ? -42.270 1.314   -22.804 1.00 32.43 ? 507 HOH   B O   1 
HETATM 1598 O O   . HOH   E 5 .   ? -33.882 4.914   -16.874 1.00 32.94 ? 508 HOH   B O   1 
HETATM 1599 O O   . HOH   E 5 .   ? -45.616 3.654   -34.142 1.00 12.79 ? 509 HOH   B O   1 
HETATM 1600 O O   . HOH   E 5 .   ? -38.654 -15.291 -11.589 1.00 26.66 ? 510 HOH   B O   1 
HETATM 1601 O O   . HOH   E 5 .   ? -37.875 2.991   -22.784 1.00 18.10 ? 511 HOH   B O   1 
HETATM 1602 O O   . HOH   E 5 .   ? -32.884 1.167   -33.494 1.00 19.16 ? 512 HOH   B O   1 
HETATM 1603 O O   . HOH   E 5 .   ? -36.325 5.488   -15.794 1.00 19.84 ? 513 HOH   B O   1 
HETATM 1604 O O   . HOH   E 5 .   ? -29.534 -12.477 -37.653 1.00 21.27 ? 514 HOH   B O   1 
HETATM 1605 O O   . HOH   E 5 .   ? -40.190 -1.165  -9.658  1.00 18.93 ? 515 HOH   B O   1 
HETATM 1606 O O   . HOH   E 5 .   ? -38.202 3.860   -41.766 1.00 28.71 ? 516 HOH   B O   1 
HETATM 1607 O O   . HOH   E 5 .   ? -35.722 -19.081 -30.441 1.00 28.05 ? 517 HOH   B O   1 
HETATM 1608 O O   . HOH   E 5 .   ? -36.892 -16.237 -39.296 1.00 23.28 ? 518 HOH   B O   1 
HETATM 1609 O O   . HOH   E 5 .   ? -12.642 -21.304 -18.634 1.00 24.37 ? 519 HOH   B O   1 
HETATM 1610 O O   . HOH   E 5 .   ? -38.889 0.957   -11.860 1.00 29.56 ? 520 HOH   B O   1 
HETATM 1611 O O   . HOH   E 5 .   ? -35.896 -22.441 -19.627 1.00 22.41 ? 521 HOH   B O   1 
HETATM 1612 O O   . HOH   E 5 .   ? -15.599 -5.371  -13.497 1.00 26.85 ? 522 HOH   B O   1 
HETATM 1613 O O   . HOH   E 5 .   ? -24.655 -30.909 -21.887 1.00 30.27 ? 523 HOH   B O   1 
HETATM 1614 O O   . HOH   E 5 .   ? -30.723 -6.661  -11.271 1.00 13.26 ? 524 HOH   B O   1 
HETATM 1615 O O   . HOH   E 5 .   ? -26.097 3.491   -35.223 1.00 28.94 ? 525 HOH   B O   1 
HETATM 1616 O O   . HOH   E 5 .   ? -8.924  -13.522 -25.207 1.00 28.39 ? 526 HOH   B O   1 
HETATM 1617 O O   . HOH   E 5 .   ? -25.896 -22.658 -35.711 1.00 24.46 ? 527 HOH   B O   1 
HETATM 1618 O O   . HOH   E 5 .   ? -17.551 -21.324 -12.382 1.00 15.55 ? 528 HOH   B O   1 
HETATM 1619 O O   . HOH   E 5 .   ? -36.614 -22.996 -30.690 1.00 27.55 ? 529 HOH   B O   1 
HETATM 1620 O O   . HOH   E 5 .   ? -37.944 -14.295 -21.398 1.00 29.38 ? 530 HOH   B O   1 
HETATM 1621 O O   . HOH   E 5 .   ? -47.127 1.270   -25.515 1.00 21.95 ? 531 HOH   B O   1 
HETATM 1622 O O   . HOH   E 5 .   ? -42.933 -15.370 -10.086 1.00 20.18 ? 532 HOH   B O   1 
HETATM 1623 O O   . HOH   E 5 .   ? -19.248 -29.724 -15.607 1.00 27.78 ? 533 HOH   B O   1 
HETATM 1624 O O   . HOH   E 5 .   ? -23.855 1.136   -10.646 1.00 33.95 ? 534 HOH   B O   1 
HETATM 1625 O O   . HOH   E 5 .   ? -37.290 -25.514 -11.395 1.00 35.35 ? 535 HOH   B O   1 
HETATM 1626 O O   . HOH   E 5 .   ? -45.504 0.158   -11.866 1.00 14.04 ? 536 HOH   B O   1 
HETATM 1627 O O   . HOH   E 5 .   ? -36.766 -25.924 -23.702 1.00 28.83 ? 537 HOH   B O   1 
HETATM 1628 O O   . HOH   E 5 .   ? -26.503 -25.676 -16.360 1.00 14.94 ? 538 HOH   B O   1 
HETATM 1629 O O   . HOH   E 5 .   ? -21.165 -5.980  -2.065  1.00 40.39 ? 539 HOH   B O   1 
HETATM 1630 O O   . HOH   E 5 .   ? -23.216 4.391   -24.598 1.00 21.59 ? 540 HOH   B O   1 
HETATM 1631 O O   . HOH   E 5 .   ? -38.626 -2.511  -21.332 1.00 12.55 ? 541 HOH   B O   1 
HETATM 1632 O O   . HOH   E 5 .   ? -30.821 -20.244 -21.317 1.00 10.37 ? 542 HOH   B O   1 
HETATM 1633 O O   . HOH   E 5 .   ? -10.941 -21.183 -25.078 1.00 27.64 ? 543 HOH   B O   1 
HETATM 1634 O O   . HOH   E 5 .   ? -13.478 -20.963 -35.126 1.00 29.46 ? 544 HOH   B O   1 
HETATM 1635 O O   . HOH   E 5 .   ? -49.781 -2.033  -19.495 1.00 28.84 ? 545 HOH   B O   1 
HETATM 1636 O O   . HOH   E 5 .   ? -38.497 -7.590  -10.675 1.00 12.55 ? 546 HOH   B O   1 
HETATM 1637 O O   . HOH   E 5 .   ? -30.747 1.252   -17.018 1.00 19.88 ? 547 HOH   B O   1 
HETATM 1638 O O   . HOH   E 5 .   ? -40.996 -9.183  -36.616 1.00 20.49 ? 548 HOH   B O   1 
HETATM 1639 O O   . HOH   E 5 .   ? -32.855 -18.124 -37.205 1.00 30.04 ? 549 HOH   B O   1 
HETATM 1640 O O   . HOH   E 5 .   ? -16.101 -19.676 -15.629 1.00 22.00 ? 550 HOH   B O   1 
HETATM 1641 O O   . HOH   E 5 .   ? -19.318 -4.320  -22.037 1.00 13.30 ? 551 HOH   B O   1 
HETATM 1642 O O   . HOH   E 5 .   ? -34.096 -21.931 -31.344 1.00 16.01 ? 552 HOH   B O   1 
HETATM 1643 O O   . HOH   E 5 .   ? -18.453 -4.597  -24.662 1.00 15.84 ? 553 HOH   B O   1 
HETATM 1644 O O   . HOH   E 5 .   ? -17.826 -19.846 -37.468 1.00 21.95 ? 554 HOH   B O   1 
HETATM 1645 O O   . HOH   E 5 .   ? -30.262 -23.841 -34.061 1.00 20.44 ? 555 HOH   B O   1 
HETATM 1646 O O   . HOH   E 5 .   ? -36.175 -1.732  -33.744 1.00 17.01 ? 556 HOH   B O   1 
HETATM 1647 O O   . HOH   E 5 .   ? -17.593 -27.628 -19.603 1.00 16.14 ? 557 HOH   B O   1 
HETATM 1648 O O   . HOH   E 5 .   ? -28.372 -21.617 -8.956  1.00 15.43 ? 558 HOH   B O   1 
HETATM 1649 O O   . HOH   E 5 .   ? -45.364 7.476   -24.967 1.00 28.45 ? 559 HOH   B O   1 
HETATM 1650 O O   . HOH   E 5 .   ? -26.505 1.980   -10.942 1.00 25.49 ? 560 HOH   B O   1 
HETATM 1651 O O   . HOH   E 5 .   ? -40.686 -14.486 -8.517  1.00 27.06 ? 561 HOH   B O   1 
HETATM 1652 O O   . HOH   E 5 .   ? -25.812 -14.194 -3.013  1.00 24.83 ? 562 HOH   B O   1 
HETATM 1653 O O   . HOH   E 5 .   ? -35.443 -4.666  -42.145 1.00 20.54 ? 563 HOH   B O   1 
HETATM 1654 O O   . HOH   E 5 .   ? -40.300 -14.186 -31.262 1.00 12.97 ? 564 HOH   B O   1 
HETATM 1655 O O   . HOH   E 5 .   ? -45.873 -14.549 -27.566 1.00 36.24 ? 565 HOH   B O   1 
HETATM 1656 O O   . HOH   E 5 .   ? -16.623 -5.641  -9.224  1.00 28.70 ? 566 HOH   B O   1 
HETATM 1657 O O   . HOH   E 5 .   ? -10.283 -23.556 -21.748 1.00 26.34 ? 567 HOH   B O   1 
HETATM 1658 O O   . HOH   E 5 .   ? -32.206 -4.942  -12.877 1.00 11.19 ? 568 HOH   B O   1 
HETATM 1659 O O   . HOH   E 5 .   ? -26.716 -17.666 -7.723  1.00 14.33 ? 569 HOH   B O   1 
HETATM 1660 O O   . HOH   E 5 .   ? -9.403  -18.514 -30.186 1.00 35.60 ? 570 HOH   B O   1 
HETATM 1661 O O   . HOH   E 5 .   ? -27.137 -20.282 -6.999  1.00 15.53 ? 571 HOH   B O   1 
HETATM 1662 O O   . HOH   E 5 .   ? -41.447 5.371   -28.287 1.00 23.34 ? 572 HOH   B O   1 
HETATM 1663 O O   . HOH   E 5 .   ? -20.876 -16.422 -5.478  1.00 15.75 ? 573 HOH   B O   1 
HETATM 1664 O O   . HOH   E 5 .   ? -17.945 -4.349  -5.823  1.00 38.01 ? 574 HOH   B O   1 
HETATM 1665 O O   . HOH   E 5 .   ? -23.274 2.336   -22.956 1.00 23.35 ? 575 HOH   B O   1 
HETATM 1666 O O   . HOH   E 5 .   ? -36.443 -0.949  -22.108 1.00 12.10 ? 576 HOH   B O   1 
HETATM 1667 O O   . HOH   E 5 .   ? -42.498 -5.758  -12.194 1.00 16.07 ? 577 HOH   B O   1 
HETATM 1668 O O   . HOH   E 5 .   ? -45.163 -12.366 -26.507 1.00 33.59 ? 578 HOH   B O   1 
HETATM 1669 O O   . HOH   E 5 .   ? -19.152 -29.153 -23.408 1.00 22.47 ? 579 HOH   B O   1 
HETATM 1670 O O   . HOH   E 5 .   ? -19.669 1.877   -30.429 1.00 28.63 ? 580 HOH   B O   1 
HETATM 1671 O O   . HOH   E 5 .   ? -27.781 -27.473 -25.806 1.00 26.87 ? 581 HOH   B O   1 
HETATM 1672 O O   . HOH   E 5 .   ? -33.960 -21.803 -36.562 1.00 34.72 ? 582 HOH   B O   1 
HETATM 1673 O O   . HOH   E 5 .   ? -37.002 0.766   -15.533 1.00 13.44 ? 583 HOH   B O   1 
HETATM 1674 O O   . HOH   E 5 .   ? -24.253 -4.132  -36.766 1.00 33.61 ? 584 HOH   B O   1 
HETATM 1675 O O   . HOH   E 5 .   ? -40.951 -5.896  -38.027 1.00 24.06 ? 585 HOH   B O   1 
HETATM 1676 O O   . HOH   E 5 .   ? -42.208 -3.874  -39.448 1.00 21.53 ? 586 HOH   B O   1 
HETATM 1677 O O   . HOH   E 5 .   ? -9.362  -20.758 -28.823 1.00 27.26 ? 587 HOH   B O   1 
HETATM 1678 O O   . HOH   E 5 .   ? -33.358 -1.827  -38.404 1.00 25.47 ? 588 HOH   B O   1 
HETATM 1679 O O   . HOH   E 5 .   ? -36.458 -0.344  -42.320 1.00 30.96 ? 589 HOH   B O   1 
HETATM 1680 O O   . HOH   E 5 .   ? -41.277 -7.902  -3.366  1.00 32.72 ? 590 HOH   B O   1 
HETATM 1681 O O   . HOH   E 5 .   ? -23.743 -20.959 -38.898 1.00 19.32 ? 591 HOH   B O   1 
HETATM 1682 O O   . HOH   E 5 .   ? -35.598 -17.055 -8.103  1.00 28.64 ? 592 HOH   B O   1 
HETATM 1683 O O   . HOH   E 5 .   ? -45.778 -19.463 -31.415 1.00 25.03 ? 593 HOH   B O   1 
HETATM 1684 O O   . HOH   E 5 .   ? -25.249 -10.424 -23.541 1.00 11.01 ? 594 HOH   B O   1 
HETATM 1685 O O   . HOH   E 5 .   ? -12.657 -18.430 -34.691 1.00 34.60 ? 595 HOH   B O   1 
HETATM 1686 O O   . HOH   E 5 .   ? -14.939 -19.784 -37.511 1.00 21.01 ? 596 HOH   B O   1 
HETATM 1687 O O   . HOH   E 5 .   ? -23.985 -12.344 -6.506  1.00 16.23 ? 597 HOH   B O   1 
HETATM 1688 O O   . HOH   E 5 .   ? -40.726 6.388   -32.982 1.00 25.74 ? 598 HOH   B O   1 
HETATM 1689 O O   . HOH   E 5 .   ? -18.343 -17.329 -36.369 1.00 23.50 ? 599 HOH   B O   1 
HETATM 1690 O O   . HOH   E 5 .   ? -41.437 -8.453  -13.227 1.00 18.19 ? 600 HOH   B O   1 
HETATM 1691 O O   . HOH   E 5 .   ? -45.790 -4.197  -33.960 1.00 17.35 ? 601 HOH   B O   1 
HETATM 1692 O O   . HOH   E 5 .   ? -25.729 -26.938 -23.779 1.00 15.16 ? 602 HOH   B O   1 
HETATM 1693 O O   . HOH   E 5 .   ? -28.712 7.874   -30.054 1.00 29.66 ? 603 HOH   B O   1 
HETATM 1694 O O   . HOH   E 5 .   ? -31.338 3.445   -26.786 1.00 20.00 ? 604 HOH   B O   1 
HETATM 1695 O O   . HOH   E 5 .   ? -30.863 4.110   -24.244 1.00 20.83 ? 605 HOH   B O   1 
HETATM 1696 O O   . HOH   E 5 .   ? -16.075 -14.646 -8.578  1.00 28.85 ? 606 HOH   B O   1 
HETATM 1697 O O   . HOH   E 5 .   ? -24.805 -14.993 -6.794  1.00 13.88 ? 607 HOH   B O   1 
HETATM 1698 O O   . HOH   E 5 .   ? -24.916 -11.100 -4.108  1.00 21.20 ? 608 HOH   B O   1 
HETATM 1699 O O   . HOH   E 5 .   ? -33.332 -14.893 -6.916  1.00 19.20 ? 609 HOH   B O   1 
HETATM 1700 O O   . HOH   E 5 .   ? -18.067 -16.052 -6.093  1.00 20.18 ? 610 HOH   B O   1 
HETATM 1701 O O   . HOH   E 5 .   ? -9.205  -16.127 -26.438 1.00 25.88 ? 611 HOH   B O   1 
HETATM 1702 O O   . HOH   E 5 .   ? -39.955 2.723   -16.082 1.00 13.62 ? 612 HOH   B O   1 
HETATM 1703 O O   . HOH   E 5 .   ? -15.943 -12.046 -5.395  1.00 40.92 ? 613 HOH   B O   1 
HETATM 1704 O O   . HOH   E 5 .   ? -40.993 -8.805  -19.156 1.00 15.69 ? 614 HOH   B O   1 
HETATM 1705 O O   . HOH   E 5 .   ? -14.351 -16.446 -33.045 1.00 25.64 ? 615 HOH   B O   1 
HETATM 1706 O O   . HOH   E 5 .   ? -13.137 -6.231  -29.156 1.00 30.16 ? 616 HOH   B O   1 
HETATM 1707 O O   . HOH   E 5 .   ? -40.358 -7.314  -34.696 1.00 18.95 ? 617 HOH   B O   1 
HETATM 1708 O O   . HOH   E 5 .   ? -39.972 -10.755 -22.785 1.00 31.55 ? 618 HOH   B O   1 
HETATM 1709 O O   . HOH   E 5 .   ? -34.189 -7.157  -7.856  1.00 25.11 ? 619 HOH   B O   1 
HETATM 1710 O O   . HOH   E 5 .   ? -17.862 -11.166 -35.628 1.00 23.96 ? 620 HOH   B O   1 
HETATM 1711 O O   . HOH   E 5 .   ? -41.515 -9.738  -43.788 1.00 30.53 ? 621 HOH   B O   1 
HETATM 1712 O O   . HOH   E 5 .   ? -42.336 -5.043  -43.714 1.00 20.60 ? 622 HOH   B O   1 
HETATM 1713 O O   . HOH   E 5 .   ? -52.509 -14.118 -29.017 1.00 38.68 ? 623 HOH   B O   1 
HETATM 1714 O O   . HOH   E 5 .   ? -43.202 3.681   -18.900 1.00 19.71 ? 624 HOH   B O   1 
HETATM 1715 O O   . HOH   E 5 .   ? -19.847 2.252   -23.959 1.00 35.26 ? 625 HOH   B O   1 
HETATM 1716 O O   . HOH   E 5 .   ? -24.992 7.156   -28.865 1.00 26.57 ? 626 HOH   B O   1 
HETATM 1717 O O   . HOH   E 5 .   ? -34.650 -9.006  -5.998  1.00 38.01 ? 627 HOH   B O   1 
HETATM 1718 O O   . HOH   E 5 .   ? -30.818 -17.396 -42.697 1.00 30.68 ? 628 HOH   B O   1 
HETATM 1719 O O   . HOH   E 5 .   ? -38.939 3.832   -13.607 1.00 28.02 ? 629 HOH   B O   1 
HETATM 1720 O O   . HOH   E 5 .   ? -35.713 -2.555  -9.875  1.00 42.36 ? 630 HOH   B O   1 
HETATM 1721 O O   . HOH   E 5 .   ? -16.019 -7.448  -11.208 1.00 26.42 ? 631 HOH   B O   1 
HETATM 1722 O O   . HOH   E 5 .   ? -32.789 -23.556 -33.356 1.00 31.29 ? 632 HOH   B O   1 
HETATM 1723 O O   . HOH   E 5 .   ? -47.698 0.000   -32.897 0.50 17.18 ? 633 HOH   B O   1 
HETATM 1724 O O   . HOH   E 5 .   ? -8.514  -22.908 -30.305 1.00 24.79 ? 634 HOH   B O   1 
HETATM 1725 O O   . HOH   E 5 .   ? -36.590 -6.583  -8.856  1.00 27.39 ? 635 HOH   B O   1 
HETATM 1726 O O   . HOH   E 5 .   ? -26.252 -28.248 -21.423 1.00 31.53 ? 636 HOH   B O   1 
HETATM 1727 O O   . HOH   E 5 .   ? -21.545 6.881   -32.280 1.00 28.63 ? 637 HOH   B O   1 
HETATM 1728 O O   . HOH   E 5 .   ? -40.043 5.251   -22.038 1.00 24.82 ? 638 HOH   B O   1 
HETATM 1729 O O   . HOH   E 5 .   ? -22.771 3.428   -20.673 1.00 34.58 ? 639 HOH   B O   1 
HETATM 1730 O O   . HOH   E 5 .   ? -36.637 2.142   -43.055 1.00 41.38 ? 640 HOH   B O   1 
HETATM 1731 O O   . HOH   E 5 .   ? -15.911 -22.300 -14.547 1.00 25.05 ? 641 HOH   B O   1 
HETATM 1732 O O   . HOH   E 5 .   ? -38.814 -16.515 -40.856 1.00 32.43 ? 642 HOH   B O   1 
HETATM 1733 O O   . HOH   E 5 .   ? -28.341 -27.657 -16.866 1.00 21.57 ? 643 HOH   B O   1 
HETATM 1734 O O   . HOH   E 5 .   ? -26.411 -31.103 -23.898 1.00 24.75 ? 644 HOH   B O   1 
HETATM 1735 O O   . HOH   E 5 .   ? -16.206 -26.927 -17.146 1.00 32.30 ? 645 HOH   B O   1 
HETATM 1736 O O   . HOH   E 5 .   ? -42.180 -13.175 -22.102 1.00 36.00 ? 646 HOH   B O   1 
# 
