data_7HMZ
# 
_entry.id   7HMZ 
# 
_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   7HMZ         pdb_00007hmz 10.2210/pdb7hmz/pdb 
WWPDB D_1001407677 ?            ?                   
# 
_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                        7HMZ 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-04 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.SG_entry                        ? 
_pdbx_database_status.pdb_format_compatible           N 
_pdbx_database_status.methods_development_category    ? 
# 
_pdbx_contact_author.id                 1 
_pdbx_contact_author.email              knapp@pharmchem.uni-frankfurt.de 
_pdbx_contact_author.name_first         Stefan 
_pdbx_contact_author.name_last          Knapp 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-5995-6494 
_pdbx_contact_author.name_mi            ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Kim, Y.'                              1 
'Marples, P.'                          2 
'Fearon, D.'                           3 
'von Delft, F.'                        4 
'Knapp, S.'                            5 
'Kraemer, A.'                          6 
'Structural Genomics Consortium (SGC)' 7 
# 
_citation.id                        primary 
_citation.title                     'PanDDA analysis group deposition' 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_volume            ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.year                      ? 
_citation.journal_id_ASTM           ? 
_citation.country                   ? 
_citation.journal_id_ISSN           ? 
_citation.journal_id_CSD            0353 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_DOI      ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.identifier_ORCID 
_citation_author.ordinal 
primary 'Kim, Y.'                              ? 1 
primary 'Marples, P.'                          ? 2 
primary 'Fearon, D.'                           ? 3 
primary 'von Delft, F.'                        ? 4 
primary 'Knapp, S.'                            ? 5 
primary 'Kraemer, A.'                          ? 6 
primary 'Structural Genomics Consortium (SGC)' ? 7 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'E3 ubiquitin-protein ligase TRIM21'                          21596.361 1   2.3.2.27 ? ? ? 
2 non-polymer syn 1,2-ETHANEDIOL                                                62.068    2   ?        ? ? ? 
3 non-polymer syn '(3S)-1-[(4-fluorophenyl)acetyl]piperidine-3-carboxylic acid' 265.280   1   ?        ? ? ? 
4 non-polymer syn 'SULFATE ION'                                                 96.063    1   ?        ? ? ? 
5 water       nat water                                                         18.015    144 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;52 kDa Ro protein,52 kDa ribonucleoprotein autoantigen Ro/SS-A,Ro(SS-A),Sjoegren syndrome type A antigen,SS-A,Tripartite motif-containing protein 21
;
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_strand_id                 B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 1,2-ETHANEDIOL                                                EDO   
3 '(3S)-1-[(4-fluorophenyl)acetyl]piperidine-3-carboxylic acid' A1BFN 
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 
A1BFN non-polymer         . '(3S)-1-[(4-fluorophenyl)acetyl]piperidine-3-carboxylic acid' ?                 'C14 H16 F N O3' 
265.280 
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  ?   ?   ?   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        A1BFN 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1BFN 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 EDO   1   201 202 EDO   EDO B . 
C 3 A1BFN 1   202 302 A1BFN LIG B . 
D 2 EDO   1   203 305 EDO   EDO B . 
E 4 SO4   1   204 1   SO4   SO4 B . 
F 5 HOH   1   301 29  HOH   HOH B . 
F 5 HOH   2   302 26  HOH   HOH B . 
F 5 HOH   3   303 4   HOH   HOH B . 
F 5 HOH   4   304 12  HOH   HOH B . 
F 5 HOH   5   305 11  HOH   HOH B . 
F 5 HOH   6   306 40  HOH   HOH B . 
F 5 HOH   7   307 281 HOH   HOH B . 
F 5 HOH   8   308 1   HOH   HOH B . 
F 5 HOH   9   309 27  HOH   HOH B . 
F 5 HOH   10  310 16  HOH   HOH B . 
F 5 HOH   11  311 21  HOH   HOH B . 
F 5 HOH   12  312 63  HOH   HOH B . 
F 5 HOH   13  313 90  HOH   HOH B . 
F 5 HOH   14  314 184 HOH   HOH B . 
F 5 HOH   15  315 33  HOH   HOH B . 
F 5 HOH   16  316 107 HOH   HOH B . 
F 5 HOH   17  317 51  HOH   HOH B . 
F 5 HOH   18  318 89  HOH   HOH B . 
F 5 HOH   19  319 5   HOH   HOH B . 
F 5 HOH   20  320 129 HOH   HOH B . 
F 5 HOH   21  321 72  HOH   HOH B . 
F 5 HOH   22  322 102 HOH   HOH B . 
F 5 HOH   23  323 11  HOH   HOH B . 
F 5 HOH   24  324 25  HOH   HOH B . 
F 5 HOH   25  325 95  HOH   HOH B . 
F 5 HOH   26  326 85  HOH   HOH B . 
F 5 HOH   27  327 10  HOH   HOH B . 
F 5 HOH   28  328 16  HOH   HOH B . 
F 5 HOH   29  329 9   HOH   HOH B . 
F 5 HOH   30  330 31  HOH   HOH B . 
F 5 HOH   31  331 100 HOH   HOH B . 
F 5 HOH   32  332 39  HOH   HOH B . 
F 5 HOH   33  333 34  HOH   HOH B . 
F 5 HOH   34  334 80  HOH   HOH B . 
F 5 HOH   35  335 62  HOH   HOH B . 
F 5 HOH   36  336 70  HOH   HOH B . 
F 5 HOH   37  337 28  HOH   HOH B . 
F 5 HOH   38  338 2   HOH   HOH B . 
F 5 HOH   39  339 18  HOH   HOH B . 
F 5 HOH   40  340 7   HOH   HOH B . 
F 5 HOH   41  341 68  HOH   HOH B . 
F 5 HOH   42  342 15  HOH   HOH B . 
F 5 HOH   43  343 86  HOH   HOH B . 
F 5 HOH   44  344 66  HOH   HOH B . 
F 5 HOH   45  345 2   HOH   HOH B . 
F 5 HOH   46  346 55  HOH   HOH B . 
F 5 HOH   47  347 36  HOH   HOH B . 
F 5 HOH   48  348 20  HOH   HOH B . 
F 5 HOH   49  349 22  HOH   HOH B . 
F 5 HOH   50  350 10  HOH   HOH B . 
F 5 HOH   51  351 27  HOH   HOH B . 
F 5 HOH   52  352 211 HOH   HOH B . 
F 5 HOH   53  353 50  HOH   HOH B . 
F 5 HOH   54  354 29  HOH   HOH B . 
F 5 HOH   55  355 6   HOH   HOH B . 
F 5 HOH   56  356 19  HOH   HOH B . 
F 5 HOH   57  357 58  HOH   HOH B . 
F 5 HOH   58  358 26  HOH   HOH B . 
F 5 HOH   59  359 76  HOH   HOH B . 
F 5 HOH   60  360 73  HOH   HOH B . 
F 5 HOH   61  361 81  HOH   HOH B . 
F 5 HOH   62  362 157 HOH   HOH B . 
F 5 HOH   63  363 172 HOH   HOH B . 
F 5 HOH   64  364 43  HOH   HOH B . 
F 5 HOH   65  365 93  HOH   HOH B . 
F 5 HOH   66  366 126 HOH   HOH B . 
F 5 HOH   67  367 116 HOH   HOH B . 
F 5 HOH   68  368 47  HOH   HOH B . 
F 5 HOH   69  369 304 HOH   HOH B . 
F 5 HOH   70  370 267 HOH   HOH B . 
F 5 HOH   71  371 71  HOH   HOH B . 
F 5 HOH   72  372 59  HOH   HOH B . 
F 5 HOH   73  373 1   HOH   HOH B . 
F 5 HOH   74  374 4   HOH   HOH B . 
F 5 HOH   75  375 61  HOH   HOH B . 
F 5 HOH   76  376 8   HOH   HOH B . 
F 5 HOH   77  377 3   HOH   HOH B . 
F 5 HOH   78  378 32  HOH   HOH B . 
F 5 HOH   79  379 264 HOH   HOH B . 
F 5 HOH   80  380 3   HOH   HOH B . 
F 5 HOH   81  381 137 HOH   HOH B . 
F 5 HOH   82  382 33  HOH   HOH B . 
F 5 HOH   83  383 197 HOH   HOH B . 
F 5 HOH   84  384 17  HOH   HOH B . 
F 5 HOH   85  385 32  HOH   HOH B . 
F 5 HOH   86  386 13  HOH   HOH B . 
F 5 HOH   87  387 24  HOH   HOH B . 
F 5 HOH   88  388 303 HOH   HOH B . 
F 5 HOH   89  389 14  HOH   HOH B . 
F 5 HOH   90  390 46  HOH   HOH B . 
F 5 HOH   91  391 20  HOH   HOH B . 
F 5 HOH   92  392 25  HOH   HOH B . 
F 5 HOH   93  393 60  HOH   HOH B . 
F 5 HOH   94  394 97  HOH   HOH B . 
F 5 HOH   95  395 48  HOH   HOH B . 
F 5 HOH   96  396 45  HOH   HOH B . 
F 5 HOH   97  397 125 HOH   HOH B . 
F 5 HOH   98  398 23  HOH   HOH B . 
F 5 HOH   99  399 42  HOH   HOH B . 
F 5 HOH   100 400 56  HOH   HOH B . 
F 5 HOH   101 401 64  HOH   HOH B . 
F 5 HOH   102 402 12  HOH   HOH B . 
F 5 HOH   103 403 49  HOH   HOH B . 
F 5 HOH   104 404 112 HOH   HOH B . 
F 5 HOH   105 405 8   HOH   HOH B . 
F 5 HOH   106 406 57  HOH   HOH B . 
F 5 HOH   107 407 30  HOH   HOH B . 
F 5 HOH   108 408 7   HOH   HOH B . 
F 5 HOH   109 409 82  HOH   HOH B . 
F 5 HOH   110 410 38  HOH   HOH B . 
F 5 HOH   111 411 120 HOH   HOH B . 
F 5 HOH   112 412 69  HOH   HOH B . 
F 5 HOH   113 413 44  HOH   HOH B . 
F 5 HOH   114 414 5   HOH   HOH B . 
F 5 HOH   115 415 41  HOH   HOH B . 
F 5 HOH   116 416 54  HOH   HOH B . 
F 5 HOH   117 417 15  HOH   HOH B . 
F 5 HOH   118 418 53  HOH   HOH B . 
F 5 HOH   119 419 140 HOH   HOH B . 
F 5 HOH   120 420 263 HOH   HOH B . 
F 5 HOH   121 421 154 HOH   HOH B . 
F 5 HOH   122 422 133 HOH   HOH B . 
F 5 HOH   123 423 257 HOH   HOH B . 
F 5 HOH   124 424 214 HOH   HOH B . 
F 5 HOH   125 425 103 HOH   HOH B . 
F 5 HOH   126 426 19  HOH   HOH B . 
F 5 HOH   127 427 22  HOH   HOH B . 
F 5 HOH   128 428 18  HOH   HOH B . 
F 5 HOH   129 429 30  HOH   HOH B . 
F 5 HOH   130 430 115 HOH   HOH B . 
F 5 HOH   131 431 266 HOH   HOH B . 
F 5 HOH   132 432 114 HOH   HOH B . 
F 5 HOH   133 433 13  HOH   HOH B . 
F 5 HOH   134 434 98  HOH   HOH B . 
F 5 HOH   135 435 21  HOH   HOH B . 
F 5 HOH   136 436 23  HOH   HOH B . 
F 5 HOH   137 437 104 HOH   HOH B . 
F 5 HOH   138 438 166 HOH   HOH B . 
F 5 HOH   139 439 205 HOH   HOH B . 
F 5 HOH   140 440 127 HOH   HOH B . 
F 5 HOH   141 441 14  HOH   HOH B . 
F 5 HOH   142 442 131 HOH   HOH B . 
F 5 HOH   143 443 270 HOH   HOH B . 
F 5 HOH   144 444 259 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           7HMZ 
_cell.length_a           95.555 
_cell.length_b           95.555 
_cell.length_c           45.879 
_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                         7HMZ 
_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          7HMZ 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.42 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   49.27 
_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   2024-05-24 
_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   0.92124 
_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        0.92124 
_diffrn_source.pdbx_synchrotron_site       Diamond 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HMZ 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             67.550 
_reflns.d_resolution_high            1.280 
_reflns.number_obs                   52832 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         98.900 
_reflns.pdbx_Rmerge_I_obs            0.081 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        14.800 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              10.900 
_reflns.pdbx_Rrim_I_all              0.084 
_reflns.pdbx_Rpim_I_all              0.024 
_reflns.pdbx_CC_half                 0.998 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     573384 
_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 1.280 1.300  ? 7537 2277 ? 1.203 ? ? ? 3.300  ? 0.500  ? ? ? ? ? ? 87.100 1.439 0.759 0.291 
1 2 7.010 67.550 ? 4392 357  ? 0.040 ? ? ? 12.300 ? 85.000 ? ? ? ? ? ? 99.900 0.042 0.013 0.978 
# 
_refine.entry_id                                 7HMZ 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.2800 
_refine.ls_d_res_low                             67.5700 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    98.8400 
_refine.ls_number_reflns_obs                     50224 
_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                          0.1798 
_refine.ls_R_factor_R_work                       0.1789 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.1987 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.9000 
_refine.ls_number_reflns_R_free                  2563 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               16.3500 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.1500 
_refine.aniso_B[2][2]                            0.1500 
_refine.aniso_B[3][3]                            -0.3000 
_refine.aniso_B[1][2]                            -0.0000 
_refine.aniso_B[1][3]                            0.0000 
_refine.aniso_B[2][3]                            0.0000 
_refine.correlation_coeff_Fo_to_Fc               0.9710 
_refine.correlation_coeff_Fo_to_Fc_free          0.9640 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.overall_SU_R_free                        ? 
_refine.pdbx_overall_ESU_R                       0.0500 
_refine.pdbx_overall_ESU_R_Free                  0.0510 
_refine.overall_SU_ML                            0.0440 
_refine.overall_SU_B                             1.1340 
_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                                74.390 
_refine.B_iso_min                                8.150 
_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                       1.2800 
_refine_hist.d_res_low                        67.5700 
_refine_hist.pdbx_number_atoms_ligand         32 
_refine_hist.number_atoms_solvent             144 
_refine_hist.number_atoms_total               1662 
_refine_hist.pdbx_number_residues_total       184 
_refine_hist.pdbx_B_iso_mean_ligand           32.94 
_refine_hist.pdbx_B_iso_mean_solvent          27.17 
_refine_hist.pdbx_number_atoms_protein        1486 
_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       2019 0.012  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1616 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2533 1.813  1.638  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3736 1.466  1.578  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 237  7.046  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 109  27.581 21.009 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 286  11.805 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   21.501 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         221  0.088  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2254 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     496  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            957  1.398  1.438  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         951  1.384  1.424  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1137 2.237  2.145  ? ? 
# 
_refine_ls_shell.d_res_high                       1.2800 
_refine_ls_shell.d_res_low                        1.3130 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               88.2900 
_refine_ls_shell.number_reflns_R_work             3244 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3580 
_refine_ls_shell.R_factor_R_free                  0.3610 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             201 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                3445 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HMZ 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z85893853' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HMZ 
_struct_keywords.text            'SGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, TRIM21, LIGASE' 
_struct_keywords.pdbx_keywords   LIGASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 2 ? 
E N N 4 ? 
F N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    RO52_MOUSE 
_struct_ref.pdbx_db_accession          Q62191 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;VHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGVCRDSVQRK
GQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFAGPLRPFFN
VGFNYSGGNAAPLKLCPLKM
;
_struct_ref.pdbx_align_begin           291 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              7HMZ 
_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 7HMZ MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HMZ HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HMZ HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HMZ HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HMZ HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HMZ HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HMZ HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HMZ MET B 8 ? UNP Q62191 ? ? 'expression tag'        14 8 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 4  ? MET A 8  ? HIS B 10  MET B 14  5 ? 5 
HELX_P HELX_P2 AA2 ASP A 14 ? ALA A 18 ? ASP B 20  ALA B 24  5 ? 5 
HELX_P HELX_P3 AA3 SER A 94 ? ASN A 97 ? SER B 100 ASN B 103 5 ? 4 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           114 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            120 
_struct_mon_prot_cis.auth_asym_id           B 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    115 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     121 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    B 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -1.61 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 7 ? 
AA2 ? 6 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 LEU A 22  ? ILE A 24  ? LEU B 28  ILE B 30  
AA1 2 GLN A 30  ? MET A 33  ? GLN B 36  MET B 39  
AA1 3 LEU A 181 ? LEU A 183 ? LEU B 187 LEU B 189 
AA1 4 LYS A 63  ? ASP A 69  ? LYS B 69  ASP B 75  
AA1 5 GLN A 127 ? ASP A 133 ? GLN B 133 ASP B 139 
AA1 6 VAL A 138 ? ASN A 143 ? VAL B 144 ASN B 149 
AA1 7 SER A 149 ? PHE A 154 ? SER B 155 PHE B 160 
AA2 1 MET A 52  ? LEU A 54  ? MET B 58  LEU B 60  
AA2 2 LEU A 163 ? ASN A 168 ? LEU B 169 ASN B 174 
AA2 3 TRP A 76  ? ARG A 82  ? TRP B 82  ARG B 88  
AA2 4 PHE A 99  ? TRP A 105 ? PHE B 105 TRP B 111 
AA2 5 SER A 108 ? ALA A 111 ? SER B 114 ALA B 117 
AA2 6 THR A 117 ? THR A 118 ? THR B 123 THR B 124 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N ILE A 23  ? N ILE B 29  O ARG A 32  ? O ARG B 38  
AA1 2 3 N VAL A 31  ? N VAL B 37  O LEU A 181 ? O LEU B 187 
AA1 3 4 O LYS A 182 ? O LYS B 188 N ASP A 69  ? N ASP B 75  
AA1 4 5 N TRP A 66  ? N TRP B 72  O ILE A 130 ? O ILE B 136 
AA1 5 6 N PHE A 131 ? N PHE B 137 O SER A 140 ? O SER B 146 
AA1 6 7 N PHE A 141 ? N PHE B 147 O ILE A 151 ? O ILE B 157 
AA2 1 2 N VAL A 53  ? N VAL B 59  O PHE A 167 ? O PHE B 173 
AA2 2 3 O ARG A 164 ? O ARG B 170 N CYS A 81  ? N CYS B 87  
AA2 3 4 N VAL A 80  ? N VAL B 86  O TRP A 100 ? O TRP B 106 
AA2 4 5 N TRP A 105 ? N TRP B 111 O SER A 108 ? O SER B 114 
AA2 5 6 N ALA A 111 ? N ALA B 117 O THR A 117 ? O THR B 123 
# 
_pdbx_entry_details.entry_id                   7HMZ 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             CG 
_pdbx_validate_rmsd_angle.auth_asym_id_1             B 
_pdbx_validate_rmsd_angle.auth_comp_id_1             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_1              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CD 
_pdbx_validate_rmsd_angle.auth_asym_id_2             B 
_pdbx_validate_rmsd_angle.auth_comp_id_2             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_2              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             NE 
_pdbx_validate_rmsd_angle.auth_asym_id_3             B 
_pdbx_validate_rmsd_angle.auth_comp_id_3             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_3              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                127.60 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            15.80 
_pdbx_validate_rmsd_angle.angle_standard_deviation   2.10 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    ASP 
_pdbx_validate_torsion.auth_asym_id    B 
_pdbx_validate_torsion.auth_seq_id     152 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -105.31 
_pdbx_validate_torsion.psi             53.59 
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    B 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     432 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   F 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
_phasing.method   MR 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 B MET 7   ? A MET 1   
2 1 Y 1 B THR 42  ? A THR 36  
3 1 Y 1 B LYS 193 ? A LYS 187 
4 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 
A1BFN N1   N N N 1   
A1BFN C4   C N N 2   
A1BFN C5   C N N 3   
A1BFN C6   C N N 4   
A1BFN C7   C N N 5   
A1BFN C8   C N N 6   
A1BFN C10  C Y N 7   
A1BFN C13  C Y N 8   
A1BFN C1   C N N 9   
A1BFN C11  C Y N 10  
A1BFN C12  C Y N 11  
A1BFN C14  C Y N 12  
A1BFN C2   C N S 13  
A1BFN C3   C N N 14  
A1BFN C9   C Y N 15  
A1BFN F1   F N N 16  
A1BFN O1   O N N 17  
A1BFN O2   O N N 18  
A1BFN O3   O N N 19  
A1BFN H5   H N N 20  
A1BFN H4   H N N 21  
A1BFN H6   H N N 22  
A1BFN H7   H N N 23  
A1BFN H8   H N N 24  
A1BFN H9   H N N 25  
A1BFN H10  H N N 26  
A1BFN H11  H N N 27  
A1BFN H12  H N N 28  
A1BFN H14  H N N 29  
A1BFN H13  H N N 30  
A1BFN H15  H N N 31  
A1BFN H1   H N N 32  
A1BFN H3   H N N 33  
A1BFN H2   H N N 34  
A1BFN H16  H N N 35  
ALA   N    N N N 36  
ALA   CA   C N S 37  
ALA   C    C N N 38  
ALA   O    O N N 39  
ALA   CB   C N N 40  
ALA   OXT  O N N 41  
ALA   H    H N N 42  
ALA   H2   H N N 43  
ALA   HA   H N N 44  
ALA   HB1  H N N 45  
ALA   HB2  H N N 46  
ALA   HB3  H N N 47  
ALA   HXT  H N N 48  
ARG   N    N N N 49  
ARG   CA   C N S 50  
ARG   C    C N N 51  
ARG   O    O N N 52  
ARG   CB   C N N 53  
ARG   CG   C N N 54  
ARG   CD   C N N 55  
ARG   NE   N N N 56  
ARG   CZ   C N N 57  
ARG   NH1  N N N 58  
ARG   NH2  N N N 59  
ARG   OXT  O N N 60  
ARG   H    H N N 61  
ARG   H2   H N N 62  
ARG   HA   H N N 63  
ARG   HB2  H N N 64  
ARG   HB3  H N N 65  
ARG   HG2  H N N 66  
ARG   HG3  H N N 67  
ARG   HD2  H N N 68  
ARG   HD3  H N N 69  
ARG   HE   H N N 70  
ARG   HH11 H N N 71  
ARG   HH12 H N N 72  
ARG   HH21 H N N 73  
ARG   HH22 H N N 74  
ARG   HXT  H N N 75  
ASN   N    N N N 76  
ASN   CA   C N S 77  
ASN   C    C N N 78  
ASN   O    O N N 79  
ASN   CB   C N N 80  
ASN   CG   C N N 81  
ASN   OD1  O N N 82  
ASN   ND2  N N N 83  
ASN   OXT  O N N 84  
ASN   H    H N N 85  
ASN   H2   H N N 86  
ASN   HA   H N N 87  
ASN   HB2  H N N 88  
ASN   HB3  H N N 89  
ASN   HD21 H N N 90  
ASN   HD22 H N N 91  
ASN   HXT  H N N 92  
ASP   N    N N N 93  
ASP   CA   C N S 94  
ASP   C    C N N 95  
ASP   O    O N N 96  
ASP   CB   C N N 97  
ASP   CG   C N N 98  
ASP   OD1  O N N 99  
ASP   OD2  O N N 100 
ASP   OXT  O N N 101 
ASP   H    H N N 102 
ASP   H2   H N N 103 
ASP   HA   H N N 104 
ASP   HB2  H N N 105 
ASP   HB3  H N N 106 
ASP   HD2  H N N 107 
ASP   HXT  H N N 108 
CYS   N    N N N 109 
CYS   CA   C N R 110 
CYS   C    C N N 111 
CYS   O    O N N 112 
CYS   CB   C N N 113 
CYS   SG   S N N 114 
CYS   OXT  O N N 115 
CYS   H    H N N 116 
CYS   H2   H N N 117 
CYS   HA   H N N 118 
CYS   HB2  H N N 119 
CYS   HB3  H N N 120 
CYS   HG   H N N 121 
CYS   HXT  H N N 122 
EDO   C1   C N N 123 
EDO   O1   O N N 124 
EDO   C2   C N N 125 
EDO   O2   O N N 126 
EDO   H11  H N N 127 
EDO   H12  H N N 128 
EDO   HO1  H N N 129 
EDO   H21  H N N 130 
EDO   H22  H N N 131 
EDO   HO2  H N N 132 
GLN   N    N N N 133 
GLN   CA   C N S 134 
GLN   C    C N N 135 
GLN   O    O N N 136 
GLN   CB   C N N 137 
GLN   CG   C N N 138 
GLN   CD   C N N 139 
GLN   OE1  O N N 140 
GLN   NE2  N N N 141 
GLN   OXT  O N N 142 
GLN   H    H N N 143 
GLN   H2   H N N 144 
GLN   HA   H N N 145 
GLN   HB2  H N N 146 
GLN   HB3  H N N 147 
GLN   HG2  H N N 148 
GLN   HG3  H N N 149 
GLN   HE21 H N N 150 
GLN   HE22 H N N 151 
GLN   HXT  H N N 152 
GLU   N    N N N 153 
GLU   CA   C N S 154 
GLU   C    C N N 155 
GLU   O    O N N 156 
GLU   CB   C N N 157 
GLU   CG   C N N 158 
GLU   CD   C N N 159 
GLU   OE1  O N N 160 
GLU   OE2  O N N 161 
GLU   OXT  O N N 162 
GLU   H    H N N 163 
GLU   H2   H N N 164 
GLU   HA   H N N 165 
GLU   HB2  H N N 166 
GLU   HB3  H N N 167 
GLU   HG2  H N N 168 
GLU   HG3  H N N 169 
GLU   HE2  H N N 170 
GLU   HXT  H N N 171 
GLY   N    N N N 172 
GLY   CA   C N N 173 
GLY   C    C N N 174 
GLY   O    O N N 175 
GLY   OXT  O N N 176 
GLY   H    H N N 177 
GLY   H2   H N N 178 
GLY   HA2  H N N 179 
GLY   HA3  H N N 180 
GLY   HXT  H N N 181 
HIS   N    N N N 182 
HIS   CA   C N S 183 
HIS   C    C N N 184 
HIS   O    O N N 185 
HIS   CB   C N N 186 
HIS   CG   C Y N 187 
HIS   ND1  N Y N 188 
HIS   CD2  C Y N 189 
HIS   CE1  C Y N 190 
HIS   NE2  N Y N 191 
HIS   OXT  O N N 192 
HIS   H    H N N 193 
HIS   H2   H N N 194 
HIS   HA   H N N 195 
HIS   HB2  H N N 196 
HIS   HB3  H N N 197 
HIS   HD1  H N N 198 
HIS   HD2  H N N 199 
HIS   HE1  H N N 200 
HIS   HE2  H N N 201 
HIS   HXT  H N N 202 
HOH   O    O N N 203 
HOH   H1   H N N 204 
HOH   H2   H N N 205 
ILE   N    N N N 206 
ILE   CA   C N S 207 
ILE   C    C N N 208 
ILE   O    O N N 209 
ILE   CB   C N S 210 
ILE   CG1  C N N 211 
ILE   CG2  C N N 212 
ILE   CD1  C N N 213 
ILE   OXT  O N N 214 
ILE   H    H N N 215 
ILE   H2   H N N 216 
ILE   HA   H N N 217 
ILE   HB   H N N 218 
ILE   HG12 H N N 219 
ILE   HG13 H N N 220 
ILE   HG21 H N N 221 
ILE   HG22 H N N 222 
ILE   HG23 H N N 223 
ILE   HD11 H N N 224 
ILE   HD12 H N N 225 
ILE   HD13 H N N 226 
ILE   HXT  H N N 227 
LEU   N    N N N 228 
LEU   CA   C N S 229 
LEU   C    C N N 230 
LEU   O    O N N 231 
LEU   CB   C N N 232 
LEU   CG   C N N 233 
LEU   CD1  C N N 234 
LEU   CD2  C N N 235 
LEU   OXT  O N N 236 
LEU   H    H N N 237 
LEU   H2   H N N 238 
LEU   HA   H N N 239 
LEU   HB2  H N N 240 
LEU   HB3  H N N 241 
LEU   HG   H N N 242 
LEU   HD11 H N N 243 
LEU   HD12 H N N 244 
LEU   HD13 H N N 245 
LEU   HD21 H N N 246 
LEU   HD22 H N N 247 
LEU   HD23 H N N 248 
LEU   HXT  H N N 249 
LYS   N    N N N 250 
LYS   CA   C N S 251 
LYS   C    C N N 252 
LYS   O    O N N 253 
LYS   CB   C N N 254 
LYS   CG   C N N 255 
LYS   CD   C N N 256 
LYS   CE   C N N 257 
LYS   NZ   N N N 258 
LYS   OXT  O N N 259 
LYS   H    H N N 260 
LYS   H2   H N N 261 
LYS   HA   H N N 262 
LYS   HB2  H N N 263 
LYS   HB3  H N N 264 
LYS   HG2  H N N 265 
LYS   HG3  H N N 266 
LYS   HD2  H N N 267 
LYS   HD3  H N N 268 
LYS   HE2  H N N 269 
LYS   HE3  H N N 270 
LYS   HZ1  H N N 271 
LYS   HZ2  H N N 272 
LYS   HZ3  H N N 273 
LYS   HXT  H N N 274 
MET   N    N N N 275 
MET   CA   C N S 276 
MET   C    C N N 277 
MET   O    O N N 278 
MET   CB   C N N 279 
MET   CG   C N N 280 
MET   SD   S N N 281 
MET   CE   C N N 282 
MET   OXT  O N N 283 
MET   H    H N N 284 
MET   H2   H N N 285 
MET   HA   H N N 286 
MET   HB2  H N N 287 
MET   HB3  H N N 288 
MET   HG2  H N N 289 
MET   HG3  H N N 290 
MET   HE1  H N N 291 
MET   HE2  H N N 292 
MET   HE3  H N N 293 
MET   HXT  H N N 294 
PHE   N    N N N 295 
PHE   CA   C N S 296 
PHE   C    C N N 297 
PHE   O    O N N 298 
PHE   CB   C N N 299 
PHE   CG   C Y N 300 
PHE   CD1  C Y N 301 
PHE   CD2  C Y N 302 
PHE   CE1  C Y N 303 
PHE   CE2  C Y N 304 
PHE   CZ   C Y N 305 
PHE   OXT  O N N 306 
PHE   H    H N N 307 
PHE   H2   H N N 308 
PHE   HA   H N N 309 
PHE   HB2  H N N 310 
PHE   HB3  H N N 311 
PHE   HD1  H N N 312 
PHE   HD2  H N N 313 
PHE   HE1  H N N 314 
PHE   HE2  H N N 315 
PHE   HZ   H N N 316 
PHE   HXT  H N N 317 
PRO   N    N N N 318 
PRO   CA   C N S 319 
PRO   C    C N N 320 
PRO   O    O N N 321 
PRO   CB   C N N 322 
PRO   CG   C N N 323 
PRO   CD   C N N 324 
PRO   OXT  O N N 325 
PRO   H    H N N 326 
PRO   HA   H N N 327 
PRO   HB2  H N N 328 
PRO   HB3  H N N 329 
PRO   HG2  H N N 330 
PRO   HG3  H N N 331 
PRO   HD2  H N N 332 
PRO   HD3  H N N 333 
PRO   HXT  H N N 334 
SER   N    N N N 335 
SER   CA   C N S 336 
SER   C    C N N 337 
SER   O    O N N 338 
SER   CB   C N N 339 
SER   OG   O N N 340 
SER   OXT  O N N 341 
SER   H    H N N 342 
SER   H2   H N N 343 
SER   HA   H N N 344 
SER   HB2  H N N 345 
SER   HB3  H N N 346 
SER   HG   H N N 347 
SER   HXT  H N N 348 
SO4   S    S N N 349 
SO4   O1   O N N 350 
SO4   O2   O N N 351 
SO4   O3   O N N 352 
SO4   O4   O N N 353 
THR   N    N N N 354 
THR   CA   C N S 355 
THR   C    C N N 356 
THR   O    O N N 357 
THR   CB   C N R 358 
THR   OG1  O N N 359 
THR   CG2  C N N 360 
THR   OXT  O N N 361 
THR   H    H N N 362 
THR   H2   H N N 363 
THR   HA   H N N 364 
THR   HB   H N N 365 
THR   HG1  H N N 366 
THR   HG21 H N N 367 
THR   HG22 H N N 368 
THR   HG23 H N N 369 
THR   HXT  H N N 370 
TRP   N    N N N 371 
TRP   CA   C N S 372 
TRP   C    C N N 373 
TRP   O    O N N 374 
TRP   CB   C N N 375 
TRP   CG   C Y N 376 
TRP   CD1  C Y N 377 
TRP   CD2  C Y N 378 
TRP   NE1  N Y N 379 
TRP   CE2  C Y N 380 
TRP   CE3  C Y N 381 
TRP   CZ2  C Y N 382 
TRP   CZ3  C Y N 383 
TRP   CH2  C Y N 384 
TRP   OXT  O N N 385 
TRP   H    H N N 386 
TRP   H2   H N N 387 
TRP   HA   H N N 388 
TRP   HB2  H N N 389 
TRP   HB3  H N N 390 
TRP   HD1  H N N 391 
TRP   HE1  H N N 392 
TRP   HE3  H N N 393 
TRP   HZ2  H N N 394 
TRP   HZ3  H N N 395 
TRP   HH2  H N N 396 
TRP   HXT  H N N 397 
TYR   N    N N N 398 
TYR   CA   C N S 399 
TYR   C    C N N 400 
TYR   O    O N N 401 
TYR   CB   C N N 402 
TYR   CG   C Y N 403 
TYR   CD1  C Y N 404 
TYR   CD2  C Y N 405 
TYR   CE1  C Y N 406 
TYR   CE2  C Y N 407 
TYR   CZ   C Y N 408 
TYR   OH   O N N 409 
TYR   OXT  O N N 410 
TYR   H    H N N 411 
TYR   H2   H N N 412 
TYR   HA   H N N 413 
TYR   HB2  H N N 414 
TYR   HB3  H N N 415 
TYR   HD1  H N N 416 
TYR   HD2  H N N 417 
TYR   HE1  H N N 418 
TYR   HE2  H N N 419 
TYR   HH   H N N 420 
TYR   HXT  H N N 421 
VAL   N    N N N 422 
VAL   CA   C N S 423 
VAL   C    C N N 424 
VAL   O    O N N 425 
VAL   CB   C N N 426 
VAL   CG1  C N N 427 
VAL   CG2  C N N 428 
VAL   OXT  O N N 429 
VAL   H    H N N 430 
VAL   H2   H N N 431 
VAL   HA   H N N 432 
VAL   HB   H N N 433 
VAL   HG11 H N N 434 
VAL   HG12 H N N 435 
VAL   HG13 H N N 436 
VAL   HG21 H N N 437 
VAL   HG22 H N N 438 
VAL   HG23 H N N 439 
VAL   HXT  H N N 440 
# 
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 
A1BFN O1  C1   sing N N 1   
A1BFN C1  O2   doub N N 2   
A1BFN C1  C2   sing N N 3   
A1BFN C2  C3   sing N N 4   
A1BFN C3  C4   sing N N 5   
A1BFN C4  C5   sing N N 6   
A1BFN C5  N1   sing N N 7   
A1BFN N1  C6   sing N N 8   
A1BFN N1  C7   sing N N 9   
A1BFN C7  O3   doub N N 10  
A1BFN C7  C8   sing N N 11  
A1BFN C8  C9   sing N N 12  
A1BFN C9  C10  doub Y N 13  
A1BFN C10 C11  sing Y N 14  
A1BFN C11 C12  doub Y N 15  
A1BFN C12 F1   sing N N 16  
A1BFN C12 C13  sing Y N 17  
A1BFN C13 C14  doub Y N 18  
A1BFN C2  C6   sing N N 19  
A1BFN C9  C14  sing Y N 20  
A1BFN C4  H5   sing N N 21  
A1BFN C4  H4   sing N N 22  
A1BFN C5  H6   sing N N 23  
A1BFN C5  H7   sing N N 24  
A1BFN C6  H8   sing N N 25  
A1BFN C6  H9   sing N N 26  
A1BFN C8  H10  sing N N 27  
A1BFN C8  H11  sing N N 28  
A1BFN C10 H12  sing N N 29  
A1BFN C13 H14  sing N N 30  
A1BFN C11 H13  sing N N 31  
A1BFN C14 H15  sing N N 32  
A1BFN C2  H1   sing N N 33  
A1BFN C3  H3   sing N N 34  
A1BFN C3  H2   sing N N 35  
A1BFN O1  H16  sing N N 36  
ALA   N   CA   sing N N 37  
ALA   N   H    sing N N 38  
ALA   N   H2   sing N N 39  
ALA   CA  C    sing N N 40  
ALA   CA  CB   sing N N 41  
ALA   CA  HA   sing N N 42  
ALA   C   O    doub N N 43  
ALA   C   OXT  sing N N 44  
ALA   CB  HB1  sing N N 45  
ALA   CB  HB2  sing N N 46  
ALA   CB  HB3  sing N N 47  
ALA   OXT HXT  sing N N 48  
ARG   N   CA   sing N N 49  
ARG   N   H    sing N N 50  
ARG   N   H2   sing N N 51  
ARG   CA  C    sing N N 52  
ARG   CA  CB   sing N N 53  
ARG   CA  HA   sing N N 54  
ARG   C   O    doub N N 55  
ARG   C   OXT  sing N N 56  
ARG   CB  CG   sing N N 57  
ARG   CB  HB2  sing N N 58  
ARG   CB  HB3  sing N N 59  
ARG   CG  CD   sing N N 60  
ARG   CG  HG2  sing N N 61  
ARG   CG  HG3  sing N N 62  
ARG   CD  NE   sing N N 63  
ARG   CD  HD2  sing N N 64  
ARG   CD  HD3  sing N N 65  
ARG   NE  CZ   sing N N 66  
ARG   NE  HE   sing N N 67  
ARG   CZ  NH1  sing N N 68  
ARG   CZ  NH2  doub N N 69  
ARG   NH1 HH11 sing N N 70  
ARG   NH1 HH12 sing N N 71  
ARG   NH2 HH21 sing N N 72  
ARG   NH2 HH22 sing N N 73  
ARG   OXT HXT  sing N N 74  
ASN   N   CA   sing N N 75  
ASN   N   H    sing N N 76  
ASN   N   H2   sing N N 77  
ASN   CA  C    sing N N 78  
ASN   CA  CB   sing N N 79  
ASN   CA  HA   sing N N 80  
ASN   C   O    doub N N 81  
ASN   C   OXT  sing N N 82  
ASN   CB  CG   sing N N 83  
ASN   CB  HB2  sing N N 84  
ASN   CB  HB3  sing N N 85  
ASN   CG  OD1  doub N N 86  
ASN   CG  ND2  sing N N 87  
ASN   ND2 HD21 sing N N 88  
ASN   ND2 HD22 sing N N 89  
ASN   OXT HXT  sing N N 90  
ASP   N   CA   sing N N 91  
ASP   N   H    sing N N 92  
ASP   N   H2   sing N N 93  
ASP   CA  C    sing N N 94  
ASP   CA  CB   sing N N 95  
ASP   CA  HA   sing N N 96  
ASP   C   O    doub N N 97  
ASP   C   OXT  sing N N 98  
ASP   CB  CG   sing N N 99  
ASP   CB  HB2  sing N N 100 
ASP   CB  HB3  sing N N 101 
ASP   CG  OD1  doub N N 102 
ASP   CG  OD2  sing N N 103 
ASP   OD2 HD2  sing N N 104 
ASP   OXT HXT  sing N N 105 
CYS   N   CA   sing N N 106 
CYS   N   H    sing N N 107 
CYS   N   H2   sing N N 108 
CYS   CA  C    sing N N 109 
CYS   CA  CB   sing N N 110 
CYS   CA  HA   sing N N 111 
CYS   C   O    doub N N 112 
CYS   C   OXT  sing N N 113 
CYS   CB  SG   sing N N 114 
CYS   CB  HB2  sing N N 115 
CYS   CB  HB3  sing N N 116 
CYS   SG  HG   sing N N 117 
CYS   OXT HXT  sing N N 118 
EDO   C1  O1   sing N N 119 
EDO   C1  C2   sing N N 120 
EDO   C1  H11  sing N N 121 
EDO   C1  H12  sing N N 122 
EDO   O1  HO1  sing N N 123 
EDO   C2  O2   sing N N 124 
EDO   C2  H21  sing N N 125 
EDO   C2  H22  sing N N 126 
EDO   O2  HO2  sing N N 127 
GLN   N   CA   sing N N 128 
GLN   N   H    sing N N 129 
GLN   N   H2   sing N N 130 
GLN   CA  C    sing N N 131 
GLN   CA  CB   sing N N 132 
GLN   CA  HA   sing N N 133 
GLN   C   O    doub N N 134 
GLN   C   OXT  sing N N 135 
GLN   CB  CG   sing N N 136 
GLN   CB  HB2  sing N N 137 
GLN   CB  HB3  sing N N 138 
GLN   CG  CD   sing N N 139 
GLN   CG  HG2  sing N N 140 
GLN   CG  HG3  sing N N 141 
GLN   CD  OE1  doub N N 142 
GLN   CD  NE2  sing N N 143 
GLN   NE2 HE21 sing N N 144 
GLN   NE2 HE22 sing N N 145 
GLN   OXT HXT  sing N N 146 
GLU   N   CA   sing N N 147 
GLU   N   H    sing N N 148 
GLU   N   H2   sing N N 149 
GLU   CA  C    sing N N 150 
GLU   CA  CB   sing N N 151 
GLU   CA  HA   sing N N 152 
GLU   C   O    doub N N 153 
GLU   C   OXT  sing N N 154 
GLU   CB  CG   sing N N 155 
GLU   CB  HB2  sing N N 156 
GLU   CB  HB3  sing N N 157 
GLU   CG  CD   sing N N 158 
GLU   CG  HG2  sing N N 159 
GLU   CG  HG3  sing N N 160 
GLU   CD  OE1  doub N N 161 
GLU   CD  OE2  sing N N 162 
GLU   OE2 HE2  sing N N 163 
GLU   OXT HXT  sing N N 164 
GLY   N   CA   sing N N 165 
GLY   N   H    sing N N 166 
GLY   N   H2   sing N N 167 
GLY   CA  C    sing N N 168 
GLY   CA  HA2  sing N N 169 
GLY   CA  HA3  sing N N 170 
GLY   C   O    doub N N 171 
GLY   C   OXT  sing N N 172 
GLY   OXT HXT  sing N N 173 
HIS   N   CA   sing N N 174 
HIS   N   H    sing N N 175 
HIS   N   H2   sing N N 176 
HIS   CA  C    sing N N 177 
HIS   CA  CB   sing N N 178 
HIS   CA  HA   sing N N 179 
HIS   C   O    doub N N 180 
HIS   C   OXT  sing N N 181 
HIS   CB  CG   sing N N 182 
HIS   CB  HB2  sing N N 183 
HIS   CB  HB3  sing N N 184 
HIS   CG  ND1  sing Y N 185 
HIS   CG  CD2  doub Y N 186 
HIS   ND1 CE1  doub Y N 187 
HIS   ND1 HD1  sing N N 188 
HIS   CD2 NE2  sing Y N 189 
HIS   CD2 HD2  sing N N 190 
HIS   CE1 NE2  sing Y N 191 
HIS   CE1 HE1  sing N N 192 
HIS   NE2 HE2  sing N N 193 
HIS   OXT HXT  sing N N 194 
HOH   O   H1   sing N N 195 
HOH   O   H2   sing N N 196 
ILE   N   CA   sing N N 197 
ILE   N   H    sing N N 198 
ILE   N   H2   sing N N 199 
ILE   CA  C    sing N N 200 
ILE   CA  CB   sing N N 201 
ILE   CA  HA   sing N N 202 
ILE   C   O    doub N N 203 
ILE   C   OXT  sing N N 204 
ILE   CB  CG1  sing N N 205 
ILE   CB  CG2  sing N N 206 
ILE   CB  HB   sing N N 207 
ILE   CG1 CD1  sing N N 208 
ILE   CG1 HG12 sing N N 209 
ILE   CG1 HG13 sing N N 210 
ILE   CG2 HG21 sing N N 211 
ILE   CG2 HG22 sing N N 212 
ILE   CG2 HG23 sing N N 213 
ILE   CD1 HD11 sing N N 214 
ILE   CD1 HD12 sing N N 215 
ILE   CD1 HD13 sing N N 216 
ILE   OXT HXT  sing N N 217 
LEU   N   CA   sing N N 218 
LEU   N   H    sing N N 219 
LEU   N   H2   sing N N 220 
LEU   CA  C    sing N N 221 
LEU   CA  CB   sing N N 222 
LEU   CA  HA   sing N N 223 
LEU   C   O    doub N N 224 
LEU   C   OXT  sing N N 225 
LEU   CB  CG   sing N N 226 
LEU   CB  HB2  sing N N 227 
LEU   CB  HB3  sing N N 228 
LEU   CG  CD1  sing N N 229 
LEU   CG  CD2  sing N N 230 
LEU   CG  HG   sing N N 231 
LEU   CD1 HD11 sing N N 232 
LEU   CD1 HD12 sing N N 233 
LEU   CD1 HD13 sing N N 234 
LEU   CD2 HD21 sing N N 235 
LEU   CD2 HD22 sing N N 236 
LEU   CD2 HD23 sing N N 237 
LEU   OXT HXT  sing N N 238 
LYS   N   CA   sing N N 239 
LYS   N   H    sing N N 240 
LYS   N   H2   sing N N 241 
LYS   CA  C    sing N N 242 
LYS   CA  CB   sing N N 243 
LYS   CA  HA   sing N N 244 
LYS   C   O    doub N N 245 
LYS   C   OXT  sing N N 246 
LYS   CB  CG   sing N N 247 
LYS   CB  HB2  sing N N 248 
LYS   CB  HB3  sing N N 249 
LYS   CG  CD   sing N N 250 
LYS   CG  HG2  sing N N 251 
LYS   CG  HG3  sing N N 252 
LYS   CD  CE   sing N N 253 
LYS   CD  HD2  sing N N 254 
LYS   CD  HD3  sing N N 255 
LYS   CE  NZ   sing N N 256 
LYS   CE  HE2  sing N N 257 
LYS   CE  HE3  sing N N 258 
LYS   NZ  HZ1  sing N N 259 
LYS   NZ  HZ2  sing N N 260 
LYS   NZ  HZ3  sing N N 261 
LYS   OXT HXT  sing N N 262 
MET   N   CA   sing N N 263 
MET   N   H    sing N N 264 
MET   N   H2   sing N N 265 
MET   CA  C    sing N N 266 
MET   CA  CB   sing N N 267 
MET   CA  HA   sing N N 268 
MET   C   O    doub N N 269 
MET   C   OXT  sing N N 270 
MET   CB  CG   sing N N 271 
MET   CB  HB2  sing N N 272 
MET   CB  HB3  sing N N 273 
MET   CG  SD   sing N N 274 
MET   CG  HG2  sing N N 275 
MET   CG  HG3  sing N N 276 
MET   SD  CE   sing N N 277 
MET   CE  HE1  sing N N 278 
MET   CE  HE2  sing N N 279 
MET   CE  HE3  sing N N 280 
MET   OXT HXT  sing N N 281 
PHE   N   CA   sing N N 282 
PHE   N   H    sing N N 283 
PHE   N   H2   sing N N 284 
PHE   CA  C    sing N N 285 
PHE   CA  CB   sing N N 286 
PHE   CA  HA   sing N N 287 
PHE   C   O    doub N N 288 
PHE   C   OXT  sing N N 289 
PHE   CB  CG   sing N N 290 
PHE   CB  HB2  sing N N 291 
PHE   CB  HB3  sing N N 292 
PHE   CG  CD1  doub Y N 293 
PHE   CG  CD2  sing Y N 294 
PHE   CD1 CE1  sing Y N 295 
PHE   CD1 HD1  sing N N 296 
PHE   CD2 CE2  doub Y N 297 
PHE   CD2 HD2  sing N N 298 
PHE   CE1 CZ   doub Y N 299 
PHE   CE1 HE1  sing N N 300 
PHE   CE2 CZ   sing Y N 301 
PHE   CE2 HE2  sing N N 302 
PHE   CZ  HZ   sing N N 303 
PHE   OXT HXT  sing N N 304 
PRO   N   CA   sing N N 305 
PRO   N   CD   sing N N 306 
PRO   N   H    sing N N 307 
PRO   CA  C    sing N N 308 
PRO   CA  CB   sing N N 309 
PRO   CA  HA   sing N N 310 
PRO   C   O    doub N N 311 
PRO   C   OXT  sing N N 312 
PRO   CB  CG   sing N N 313 
PRO   CB  HB2  sing N N 314 
PRO   CB  HB3  sing N N 315 
PRO   CG  CD   sing N N 316 
PRO   CG  HG2  sing N N 317 
PRO   CG  HG3  sing N N 318 
PRO   CD  HD2  sing N N 319 
PRO   CD  HD3  sing N N 320 
PRO   OXT HXT  sing N N 321 
SER   N   CA   sing N N 322 
SER   N   H    sing N N 323 
SER   N   H2   sing N N 324 
SER   CA  C    sing N N 325 
SER   CA  CB   sing N N 326 
SER   CA  HA   sing N N 327 
SER   C   O    doub N N 328 
SER   C   OXT  sing N N 329 
SER   CB  OG   sing N N 330 
SER   CB  HB2  sing N N 331 
SER   CB  HB3  sing N N 332 
SER   OG  HG   sing N N 333 
SER   OXT HXT  sing N N 334 
SO4   S   O1   doub N N 335 
SO4   S   O2   doub N N 336 
SO4   S   O3   sing N N 337 
SO4   S   O4   sing N N 338 
THR   N   CA   sing N N 339 
THR   N   H    sing N N 340 
THR   N   H2   sing N N 341 
THR   CA  C    sing N N 342 
THR   CA  CB   sing N N 343 
THR   CA  HA   sing N N 344 
THR   C   O    doub N N 345 
THR   C   OXT  sing N N 346 
THR   CB  OG1  sing N N 347 
THR   CB  CG2  sing N N 348 
THR   CB  HB   sing N N 349 
THR   OG1 HG1  sing N N 350 
THR   CG2 HG21 sing N N 351 
THR   CG2 HG22 sing N N 352 
THR   CG2 HG23 sing N N 353 
THR   OXT HXT  sing N N 354 
TRP   N   CA   sing N N 355 
TRP   N   H    sing N N 356 
TRP   N   H2   sing N N 357 
TRP   CA  C    sing N N 358 
TRP   CA  CB   sing N N 359 
TRP   CA  HA   sing N N 360 
TRP   C   O    doub N N 361 
TRP   C   OXT  sing N N 362 
TRP   CB  CG   sing N N 363 
TRP   CB  HB2  sing N N 364 
TRP   CB  HB3  sing N N 365 
TRP   CG  CD1  doub Y N 366 
TRP   CG  CD2  sing Y N 367 
TRP   CD1 NE1  sing Y N 368 
TRP   CD1 HD1  sing N N 369 
TRP   CD2 CE2  doub Y N 370 
TRP   CD2 CE3  sing Y N 371 
TRP   NE1 CE2  sing Y N 372 
TRP   NE1 HE1  sing N N 373 
TRP   CE2 CZ2  sing Y N 374 
TRP   CE3 CZ3  doub Y N 375 
TRP   CE3 HE3  sing N N 376 
TRP   CZ2 CH2  doub Y N 377 
TRP   CZ2 HZ2  sing N N 378 
TRP   CZ3 CH2  sing Y N 379 
TRP   CZ3 HZ3  sing N N 380 
TRP   CH2 HH2  sing N N 381 
TRP   OXT HXT  sing N N 382 
TYR   N   CA   sing N N 383 
TYR   N   H    sing N N 384 
TYR   N   H2   sing N N 385 
TYR   CA  C    sing N N 386 
TYR   CA  CB   sing N N 387 
TYR   CA  HA   sing N N 388 
TYR   C   O    doub N N 389 
TYR   C   OXT  sing N N 390 
TYR   CB  CG   sing N N 391 
TYR   CB  HB2  sing N N 392 
TYR   CB  HB3  sing N N 393 
TYR   CG  CD1  doub Y N 394 
TYR   CG  CD2  sing Y N 395 
TYR   CD1 CE1  sing Y N 396 
TYR   CD1 HD1  sing N N 397 
TYR   CD2 CE2  doub Y N 398 
TYR   CD2 HD2  sing N N 399 
TYR   CE1 CZ   doub Y N 400 
TYR   CE1 HE1  sing N N 401 
TYR   CE2 CZ   sing Y N 402 
TYR   CE2 HE2  sing N N 403 
TYR   CZ  OH   sing N N 404 
TYR   OH  HH   sing N N 405 
TYR   OXT HXT  sing N N 406 
VAL   N   CA   sing N N 407 
VAL   N   H    sing N N 408 
VAL   N   H2   sing N N 409 
VAL   CA  C    sing N N 410 
VAL   CA  CB   sing N N 411 
VAL   CA  HA   sing N N 412 
VAL   C   O    doub N N 413 
VAL   C   OXT  sing N N 414 
VAL   CB  CG1  sing N N 415 
VAL   CB  CG2  sing N N 416 
VAL   CB  HB   sing N N 417 
VAL   CG1 HG11 sing N N 418 
VAL   CG1 HG12 sing N N 419 
VAL   CG1 HG13 sing N N 420 
VAL   CG2 HG21 sing N N 421 
VAL   CG2 HG22 sing N N 422 
VAL   CG2 HG23 sing N N 423 
VAL   OXT HXT  sing N N 424 
# 
_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                    7HMZ 
_atom_sites.fract_transf_matrix[1][1]   0.010465 
_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]   0.010465 
_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]   0.021796 
_atom_sites.fract_transf_vector[1]      0.000000 
_atom_sites.fract_transf_vector[2]      0.000000 
_atom_sites.fract_transf_vector[3]      0.000000 
# 
loop_
_atom_type.symbol 
C 
F 
N 
O 
S 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N   . HIS   A 1 2   ? -13.111 -12.956 -9.956  1.00 61.88 ? 8   HIS   B N   1 
ATOM   2    C CA  . HIS   A 1 2   ? -12.699 -13.543 -11.281 1.00 55.70 ? 8   HIS   B CA  1 
ATOM   3    C C   . HIS   A 1 2   ? -11.630 -12.659 -11.934 1.00 53.54 ? 8   HIS   B C   1 
ATOM   4    O O   . HIS   A 1 2   ? -11.595 -11.434 -11.645 1.00 60.21 ? 8   HIS   B O   1 
ATOM   5    C CB  . HIS   A 1 2   ? -13.920 -13.753 -12.204 1.00 47.25 ? 8   HIS   B CB  1 
ATOM   6    C CG  . HIS   A 1 2   ? -14.514 -12.509 -12.790 1.00 44.14 ? 8   HIS   B CG  1 
ATOM   7    N ND1 . HIS   A 1 2   ? -14.000 -11.906 -13.930 1.00 45.12 ? 8   HIS   B ND1 1 
ATOM   8    C CD2 . HIS   A 1 2   ? -15.595 -11.775 -12.438 1.00 41.93 ? 8   HIS   B CD2 1 
ATOM   9    C CE1 . HIS   A 1 2   ? -14.717 -10.838 -14.228 1.00 43.80 ? 8   HIS   B CE1 1 
ATOM   10   N NE2 . HIS   A 1 2   ? -15.706 -10.730 -13.328 1.00 38.65 ? 8   HIS   B NE2 1 
ATOM   11   N N   . HIS   A 1 3   ? -10.830 -13.256 -12.818 1.00 49.91 ? 9   HIS   B N   1 
ATOM   12   C CA  . HIS   A 1 3   ? -9.743  -12.593 -13.588 1.00 48.59 ? 9   HIS   B CA  1 
ATOM   13   C C   . HIS   A 1 3   ? -10.020 -12.720 -15.098 1.00 41.57 ? 9   HIS   B C   1 
ATOM   14   O O   . HIS   A 1 3   ? -9.051  -12.938 -15.865 1.00 41.64 ? 9   HIS   B O   1 
ATOM   15   C CB  . HIS   A 1 3   ? -8.390  -13.155 -13.101 1.00 58.32 ? 9   HIS   B CB  1 
ATOM   16   C CG  . HIS   A 1 3   ? -8.176  -12.958 -11.630 1.00 68.74 ? 9   HIS   B CG  1 
ATOM   17   N ND1 . HIS   A 1 3   ? -7.929  -11.706 -11.070 1.00 70.58 ? 9   HIS   B ND1 1 
ATOM   18   C CD2 . HIS   A 1 3   ? -8.201  -13.829 -10.594 1.00 74.01 ? 9   HIS   B CD2 1 
ATOM   19   C CE1 . HIS   A 1 3   ? -7.803  -11.822 -9.762  1.00 72.62 ? 9   HIS   B CE1 1 
ATOM   20   N NE2 . HIS   A 1 3   ? -7.959  -13.116 -9.445  1.00 74.39 ? 9   HIS   B NE2 1 
ATOM   21   N N   . HIS   A 1 4   ? -11.293 -12.561 -15.524 1.00 33.80 ? 10  HIS   B N   1 
ATOM   22   C CA  . HIS   A 1 4   ? -11.750 -12.731 -16.939 1.00 28.12 ? 10  HIS   B CA  1 
ATOM   23   C C   . HIS   A 1 4   ? -11.715 -11.385 -17.669 1.00 28.17 ? 10  HIS   B C   1 
ATOM   24   O O   . HIS   A 1 4   ? -11.855 -11.357 -18.907 1.00 25.59 ? 10  HIS   B O   1 
ATOM   25   C CB  . HIS   A 1 4   ? -13.169 -13.326 -17.006 1.00 26.69 ? 10  HIS   B CB  1 
ATOM   26   C CG  . HIS   A 1 4   ? -13.283 -14.696 -16.430 1.00 26.77 ? 10  HIS   B CG  1 
ATOM   27   N ND1 . HIS   A 1 4   ? -12.369 -15.712 -16.718 1.00 27.25 ? 10  HIS   B ND1 1 
ATOM   28   C CD2 . HIS   A 1 4   ? -14.191 -15.238 -15.592 1.00 25.86 ? 10  HIS   B CD2 1 
ATOM   29   C CE1 . HIS   A 1 4   ? -12.716 -16.808 -16.074 1.00 32.85 ? 10  HIS   B CE1 1 
ATOM   30   N NE2 . HIS   A 1 4   ? -13.835 -16.550 -15.403 1.00 30.56 ? 10  HIS   B NE2 1 
ATOM   31   N N   . HIS   A 1 5   ? -11.517 -10.282 -16.938 1.00 30.30 ? 11  HIS   B N   1 
ATOM   32   C CA  . HIS   A 1 5   ? -11.627 -8.896  -17.479 1.00 31.32 ? 11  HIS   B CA  1 
ATOM   33   C C   . HIS   A 1 5   ? -10.720 -8.691  -18.703 1.00 30.18 ? 11  HIS   B C   1 
ATOM   34   O O   . HIS   A 1 5   ? -11.154 -7.975  -19.616 1.00 29.07 ? 11  HIS   B O   1 
ATOM   35   C CB  . HIS   A 1 5   ? -11.342 -7.835  -16.396 1.00 39.65 ? 11  HIS   B CB  1 
ATOM   36   C CG  . HIS   A 1 5   ? -12.182 -7.973  -15.172 1.00 48.68 ? 11  HIS   B CG  1 
ATOM   37   N ND1 . HIS   A 1 5   ? -11.792 -8.756  -14.085 1.00 58.77 ? 11  HIS   B ND1 1 
ATOM   38   C CD2 . HIS   A 1 5   ? -13.384 -7.438  -14.846 1.00 54.49 ? 11  HIS   B CD2 1 
ATOM   39   C CE1 . HIS   A 1 5   ? -12.721 -8.693  -13.144 1.00 59.24 ? 11  HIS   B CE1 1 
ATOM   40   N NE2 . HIS   A 1 5   ? -13.714 -7.895  -13.589 1.00 57.67 ? 11  HIS   B NE2 1 
ATOM   41   N N   . HIS   A 1 6   ? -9.535  -9.325  -18.765 1.00 28.20 ? 12  HIS   B N   1 
ATOM   42   C CA  . HIS   A 1 6   ? -8.568  -9.188  -19.890 1.00 29.30 ? 12  HIS   B CA  1 
ATOM   43   C C   . HIS   A 1 6   ? -9.065  -9.818  -21.200 1.00 27.17 ? 12  HIS   B C   1 
ATOM   44   O O   . HIS   A 1 6   ? -8.412  -9.586  -22.223 1.00 29.40 ? 12  HIS   B O   1 
ATOM   45   C CB  . HIS   A 1 6   ? -7.186  -9.746  -19.507 1.00 34.71 ? 12  HIS   B CB  1 
ATOM   46   C CG  . HIS   A 1 6   ? -7.162  -11.187 -19.130 1.00 34.14 ? 12  HIS   B CG  1 
ATOM   47   N ND1 . HIS   A 1 6   ? -6.596  -12.162 -19.947 1.00 40.48 ? 12  HIS   B ND1 1 
ATOM   48   C CD2 . HIS   A 1 6   ? -7.577  -11.824 -18.013 1.00 35.49 ? 12  HIS   B CD2 1 
ATOM   49   C CE1 . HIS   A 1 6   ? -6.681  -13.337 -19.355 1.00 35.14 ? 12  HIS   B CE1 1 
ATOM   50   N NE2 . HIS   A 1 6   ? -7.286  -13.162 -18.173 1.00 41.69 ? 12  HIS   B NE2 1 
ATOM   51   N N   . HIS   A 1 7   ? -10.148 -10.617 -21.197 1.00 22.26 ? 13  HIS   B N   1 
ATOM   52   C CA  . HIS   A 1 7   ? -10.805 -11.157 -22.423 1.00 19.90 ? 13  HIS   B CA  1 
ATOM   53   C C   . HIS   A 1 7   ? -11.915 -10.226 -22.901 1.00 18.51 ? 13  HIS   B C   1 
ATOM   54   O O   . HIS   A 1 7   ? -12.738 -10.675 -23.706 1.00 15.98 ? 13  HIS   B O   1 
ATOM   55   C CB  . HIS   A 1 7   ? -11.354 -12.552 -22.170 1.00 19.24 ? 13  HIS   B CB  1 
ATOM   56   C CG  . HIS   A 1 7   ? -10.291 -13.522 -21.748 1.00 20.73 ? 13  HIS   B CG  1 
ATOM   57   N ND1 . HIS   A 1 7   ? -9.248  -13.844 -22.607 1.00 21.92 ? 13  HIS   B ND1 1 
ATOM   58   C CD2 . HIS   A 1 7   ? -10.112 -14.202 -20.599 1.00 21.70 ? 13  HIS   B CD2 1 
ATOM   59   C CE1 . HIS   A 1 7   ? -8.464  -14.711 -21.994 1.00 20.88 ? 13  HIS   B CE1 1 
ATOM   60   N NE2 . HIS   A 1 7   ? -8.948  -14.947 -20.756 1.00 23.24 ? 13  HIS   B NE2 1 
ATOM   61   N N   . MET   A 1 8   ? -11.950 -9.008  -22.372 1.00 18.39 ? 14  MET   B N   1 
ATOM   62   C CA  . MET   A 1 8   ? -12.985 -8.005  -22.718 1.00 20.50 ? 14  MET   B CA  1 
ATOM   63   C C   . MET   A 1 8   ? -13.076 -7.867  -24.242 1.00 19.38 ? 14  MET   B C   1 
ATOM   64   O O   . MET   A 1 8   ? -12.030 -7.756  -24.957 1.00 23.43 ? 14  MET   B O   1 
ATOM   65   C CB  . MET   A 1 8   ? -12.657 -6.644  -22.096 1.00 25.16 ? 14  MET   B CB  1 
ATOM   66   C CG  . MET   A 1 8   ? -13.677 -5.544  -22.387 1.00 31.71 ? 14  MET   B CG  1 
ATOM   67   S SD  . MET   A 1 8   ? -15.312 -5.762  -21.552 1.00 42.85 ? 14  MET   B SD  1 
ATOM   68   C CE  . MET   A 1 8   ? -14.943 -5.124  -19.924 1.00 33.24 ? 14  MET   B CE  1 
ATOM   69   N N   . VAL   A 1 9   ? -14.295 -7.847  -24.763 1.00 16.96 ? 15  VAL   B N   1 
ATOM   70   C CA  . VAL   A 1 9   ? -14.588 -7.601  -26.198 1.00 18.25 ? 15  VAL   B CA  1 
ATOM   71   C C   . VAL   A 1 9   ? -15.580 -6.417  -26.263 1.00 18.64 ? 15  VAL   B C   1 
ATOM   72   O O   . VAL   A 1 9   ? -16.451 -6.283  -25.382 1.00 18.72 ? 15  VAL   B O   1 
ATOM   73   C CB  . VAL   A 1 9   ? -15.097 -8.855  -26.943 1.00 19.94 ? 15  VAL   B CB  1 
ATOM   74   C CG1 . VAL   A 1 9   ? -14.013 -9.918  -27.027 1.00 22.64 ? 15  VAL   B CG1 1 
ATOM   75   C CG2 . VAL   A 1 9   ? -16.341 -9.453  -26.319 1.00 21.08 ? 15  VAL   B CG2 1 
ATOM   76   N N   . HIS   A 1 10  ? -15.516 -5.659  -27.348 1.00 19.39 ? 16  HIS   B N   1 
ATOM   77   C CA  . HIS   A 1 10  ? -16.390 -4.500  -27.604 1.00 18.49 ? 16  HIS   B CA  1 
ATOM   78   C C   . HIS   A 1 10  ? -17.614 -5.005  -28.375 1.00 18.48 ? 16  HIS   B C   1 
ATOM   79   O O   . HIS   A 1 10  ? -17.507 -5.416  -29.549 1.00 21.48 ? 16  HIS   B O   1 
ATOM   80   C CB  . HIS   A 1 10  ? -15.660 -3.421  -28.403 1.00 19.36 ? 16  HIS   B CB  1 
ATOM   81   C CG  . HIS   A 1 10  ? -16.441 -2.159  -28.608 1.00 24.14 ? 16  HIS   B CG  1 
ATOM   82   N ND1 . HIS   A 1 10  ? -16.552 -1.201  -27.631 1.00 27.55 ? 16  HIS   B ND1 1 
ATOM   83   C CD2 . HIS   A 1 10  ? -17.159 -1.717  -29.666 1.00 27.60 ? 16  HIS   B CD2 1 
ATOM   84   C CE1 . HIS   A 1 10  ? -17.284 -0.191  -28.077 1.00 25.07 ? 16  HIS   B CE1 1 
ATOM   85   N NE2 . HIS   A 1 10  ? -17.673 -0.487  -29.335 1.00 30.71 ? 16  HIS   B NE2 1 
ATOM   86   N N   . ILE   A 1 11  ? -18.741 -5.108  -27.684 1.00 14.94 ? 17  ILE   B N   1 
ATOM   87   C CA  . ILE   A 1 11  ? -19.984 -5.622  -28.295 1.00 15.91 ? 17  ILE   B CA  1 
ATOM   88   C C   . ILE   A 1 11  ? -20.812 -4.440  -28.817 1.00 15.79 ? 17  ILE   B C   1 
ATOM   89   O O   . ILE   A 1 11  ? -20.831 -3.428  -28.173 1.00 15.28 ? 17  ILE   B O   1 
ATOM   90   C CB  . ILE   A 1 11  ? -20.791 -6.438  -27.266 1.00 15.13 ? 17  ILE   B CB  1 
ATOM   91   C CG1 . ILE   A 1 11  ? -19.988 -7.637  -26.746 1.00 16.36 ? 17  ILE   B CG1 1 
ATOM   92   C CG2 . ILE   A 1 11  ? -22.116 -6.878  -27.863 1.00 14.72 ? 17  ILE   B CG2 1 
ATOM   93   C CD1 . ILE   A 1 11  ? -19.437 -8.571  -27.827 1.00 16.58 ? 17  ILE   B CD1 1 
ATOM   94   N N   . THR   A 1 12  ? -21.388 -4.604  -29.994 1.00 14.24 ? 18  THR   B N   1 
ATOM   95   C CA  . THR   A 1 12  ? -22.377 -3.631  -30.542 1.00 15.25 ? 18  THR   B CA  1 
ATOM   96   C C   . THR   A 1 12  ? -23.638 -4.388  -30.917 1.00 15.26 ? 18  THR   B C   1 
ATOM   97   O O   . THR   A 1 12  ? -23.595 -5.614  -31.167 1.00 16.93 ? 18  THR   B O   1 
ATOM   98   C CB  . THR   A 1 12  ? -21.803 -2.860  -31.735 1.00 17.35 ? 18  THR   B CB  1 
ATOM   99   O OG1 . THR   A 1 12  ? -21.464 -3.745  -32.775 1.00 19.17 ? 18  THR   B OG1 1 
ATOM   100  C CG2 . THR   A 1 12  ? -20.629 -1.978  -31.363 1.00 20.23 ? 18  THR   B CG2 1 
ATOM   101  N N   . LEU   A 1 13  ? -24.782 -3.689  -30.862 1.00 13.59 ? 19  LEU   B N   1 
ATOM   102  C CA  . LEU   A 1 13  ? -26.068 -4.330  -31.183 1.00 13.85 ? 19  LEU   B CA  1 
ATOM   103  C C   . LEU   A 1 13  ? -26.340 -4.311  -32.687 1.00 13.41 ? 19  LEU   B C   1 
ATOM   104  O O   . LEU   A 1 13  ? -26.058 -3.293  -33.339 1.00 15.57 ? 19  LEU   B O   1 
ATOM   105  C CB  . LEU   A 1 13  ? -27.154 -3.607  -30.403 1.00 14.21 ? 19  LEU   B CB  1 
ATOM   106  C CG  . LEU   A 1 13  ? -26.960 -3.657  -28.889 1.00 14.60 ? 19  LEU   B CG  1 
ATOM   107  C CD1 . LEU   A 1 13  ? -27.920 -2.748  -28.135 1.00 16.37 ? 19  LEU   B CD1 1 
ATOM   108  C CD2 . LEU   A 1 13  ? -27.050 -5.101  -28.392 1.00 16.51 ? 19  LEU   B CD2 1 
ATOM   109  N N   . ASP   A 1 14  ? -26.961 -5.340  -33.166 1.00 13.07 ? 20  ASP   B N   1 
ATOM   110  C CA  . ASP   A 1 14  ? -27.347 -5.522  -34.596 1.00 13.17 ? 20  ASP   B CA  1 
ATOM   111  C C   . ASP   A 1 14  ? -28.839 -5.121  -34.756 1.00 14.92 ? 20  ASP   B C   1 
ATOM   112  O O   . ASP   A 1 14  ? -29.724 -5.920  -34.464 1.00 13.76 ? 20  ASP   B O   1 
ATOM   113  C CB  . ASP   A 1 14  ? -27.074 -6.945  -35.087 1.00 13.55 ? 20  ASP   B CB  1 
ATOM   114  C CG  . ASP   A 1 14  ? -27.366 -7.191  -36.557 1.00 19.08 ? 20  ASP   B CG  1 
ATOM   115  O OD1 . ASP   A 1 14  ? -28.042 -6.315  -37.172 1.00 18.45 ? 20  ASP   B OD1 1 
ATOM   116  O OD2 . ASP   A 1 14  ? -27.062 -8.303  -37.066 1.00 18.80 ? 20  ASP   B OD2 1 
ATOM   117  N N   A ARG   A 1 15  ? -29.057 -3.886  -35.233 0.25 15.64 ? 21  ARG   B N   1 
ATOM   118  N N   B ARG   A 1 15  ? -29.082 -3.896  -35.232 0.25 16.49 ? 21  ARG   B N   1 
ATOM   119  C CA  A ARG   A 1 15  ? -30.386 -3.277  -35.531 0.25 16.90 ? 21  ARG   B CA  1 
ATOM   120  C CA  B ARG   A 1 15  ? -30.448 -3.332  -35.422 0.25 18.15 ? 21  ARG   B CA  1 
ATOM   121  C C   A ARG   A 1 15  ? -31.289 -4.240  -36.295 0.25 16.48 ? 21  ARG   B C   1 
ATOM   122  C C   B ARG   A 1 15  ? -31.311 -4.242  -36.300 0.25 17.27 ? 21  ARG   B C   1 
ATOM   123  O O   A ARG   A 1 15  ? -32.507 -4.232  -36.056 0.25 15.54 ? 21  ARG   B O   1 
ATOM   124  O O   B ARG   A 1 15  ? -32.537 -4.233  -36.117 0.25 16.11 ? 21  ARG   B O   1 
ATOM   125  C CB  A ARG   A 1 15  ? -30.234 -2.044  -36.436 0.25 18.17 ? 21  ARG   B CB  1 
ATOM   126  C CB  B ARG   A 1 15  ? -30.371 -1.941  -36.068 0.25 21.26 ? 21  ARG   B CB  1 
ATOM   127  C CG  A ARG   A 1 15  ? -29.269 -0.995  -35.912 0.25 20.11 ? 21  ARG   B CG  1 
ATOM   128  C CG  B ARG   A 1 15  ? -29.904 -0.840  -35.131 0.25 24.30 ? 21  ARG   B CG  1 
ATOM   129  C CD  A ARG   A 1 15  ? -29.306 0.292   -36.724 0.25 20.27 ? 21  ARG   B CD  1 
ATOM   130  C CD  B ARG   A 1 15  ? -28.439 -0.481  -35.320 0.25 28.13 ? 21  ARG   B CD  1 
ATOM   131  N NE  A ARG   A 1 15  ? -28.779 1.334   -35.870 0.25 20.06 ? 21  ARG   B NE  1 
ATOM   132  N NE  B ARG   A 1 15  ? -28.198 0.582   -36.299 0.25 31.47 ? 21  ARG   B NE  1 
ATOM   133  C CZ  A ARG   A 1 15  ? -29.479 1.885   -34.898 0.25 19.67 ? 21  ARG   B CZ  1 
ATOM   134  C CZ  B ARG   A 1 15  ? -27.694 0.405   -37.520 0.25 34.40 ? 21  ARG   B CZ  1 
ATOM   135  N NH1 A ARG   A 1 15  ? -30.741 1.539   -34.751 0.25 20.81 ? 21  ARG   B NH1 1 
ATOM   136  N NH1 B ARG   A 1 15  ? -27.373 -0.799  -37.958 0.25 36.89 ? 21  ARG   B NH1 1 
ATOM   137  N NH2 A ARG   A 1 15  ? -28.939 2.798   -34.118 0.25 20.93 ? 21  ARG   B NH2 1 
ATOM   138  N NH2 B ARG   A 1 15  ? -27.514 1.448   -38.308 0.25 36.05 ? 21  ARG   B NH2 1 
ATOM   139  N N   . ASN   A 1 16  ? -30.722 -4.982  -37.246 1.00 16.14 ? 22  ASN   B N   1 
ATOM   140  C CA  . ASN   A 1 16  ? -31.512 -5.800  -38.175 1.00 17.43 ? 22  ASN   B CA  1 
ATOM   141  C C   . ASN   A 1 16  ? -32.172 -6.984  -37.478 1.00 15.41 ? 22  ASN   B C   1 
ATOM   142  O O   . ASN   A 1 16  ? -33.191 -7.485  -37.962 1.00 14.63 ? 22  ASN   B O   1 
ATOM   143  C CB  . ASN   A 1 16  ? -30.655 -6.181  -39.384 1.00 21.39 ? 22  ASN   B CB  1 
ATOM   144  C CG  . ASN   A 1 16  ? -30.498 -5.012  -40.339 1.00 28.05 ? 22  ASN   B CG  1 
ATOM   145  O OD1 . ASN   A 1 16  ? -31.288 -4.060  -40.334 1.00 34.87 ? 22  ASN   B OD1 1 
ATOM   146  N ND2 . ASN   A 1 16  ? -29.440 -5.048  -41.121 1.00 39.58 ? 22  ASN   B ND2 1 
ATOM   147  N N   . THR   A 1 17  ? -31.658 -7.373  -36.287 1.00 13.38 ? 23  THR   B N   1 
ATOM   148  C CA  . THR   A 1 17  ? -32.192 -8.500  -35.516 1.00 13.20 ? 23  THR   B CA  1 
ATOM   149  C C   . THR   A 1 17  ? -33.236 -8.027  -34.509 1.00 12.01 ? 23  THR   B C   1 
ATOM   150  O O   . THR   A 1 17  ? -33.902 -8.864  -33.900 1.00 12.41 ? 23  THR   B O   1 
ATOM   151  C CB  . THR   A 1 17  ? -31.088 -9.282  -34.782 1.00 13.34 ? 23  THR   B CB  1 
ATOM   152  O OG1 . THR   A 1 17  ? -30.539 -8.489  -33.733 1.00 13.41 ? 23  THR   B OG1 1 
ATOM   153  C CG2 . THR   A 1 17  ? -30.040 -9.804  -35.747 1.00 14.80 ? 23  THR   B CG2 1 
ATOM   154  N N   . ALA   A 1 18  ? -33.311 -6.722  -34.285 1.00 11.73 ? 24  ALA   B N   1 
ATOM   155  C CA  . ALA   A 1 18  ? -34.138 -6.196  -33.169 1.00 11.37 ? 24  ALA   B CA  1 
ATOM   156  C C   . ALA   A 1 18  ? -35.626 -6.381  -33.433 1.00 12.64 ? 24  ALA   B C   1 
ATOM   157  O O   . ALA   A 1 18  ? -36.111 -6.103  -34.549 1.00 13.19 ? 24  ALA   B O   1 
ATOM   158  C CB  . ALA   A 1 18  ? -33.840 -4.747  -32.956 1.00 11.66 ? 24  ALA   B CB  1 
ATOM   159  N N   . ASN   A 1 19  ? -36.387 -6.697  -32.409 1.00 11.91 ? 25  ASN   B N   1 
ATOM   160  C CA  . ASN   A 1 19  ? -37.851 -6.510  -32.459 1.00 11.10 ? 25  ASN   B CA  1 
ATOM   161  C C   . ASN   A 1 19  ? -38.135 -5.071  -32.905 1.00 11.23 ? 25  ASN   B C   1 
ATOM   162  O O   . ASN   A 1 19  ? -37.429 -4.124  -32.545 1.00 11.48 ? 25  ASN   B O   1 
ATOM   163  C CB  . ASN   A 1 19  ? -38.406 -6.832  -31.087 1.00 12.27 ? 25  ASN   B CB  1 
ATOM   164  C CG  . ASN   A 1 19  ? -39.871 -6.559  -31.016 1.00 14.08 ? 25  ASN   B CG  1 
ATOM   165  O OD1 . ASN   A 1 19  ? -40.291 -5.437  -30.756 1.00 15.05 ? 25  ASN   B OD1 1 
ATOM   166  N ND2 . ASN   A 1 19  ? -40.630 -7.576  -31.290 1.00 16.90 ? 25  ASN   B ND2 1 
ATOM   167  N N   . SER   A 1 20  ? -39.215 -4.907  -33.649 1.00 11.88 ? 26  SER   B N   1 
ATOM   168  C CA  . SER   A 1 20  ? -39.552 -3.634  -34.311 1.00 12.85 ? 26  SER   B CA  1 
ATOM   169  C C   . SER   A 1 20  ? -39.957 -2.549  -33.329 1.00 12.28 ? 26  SER   B C   1 
ATOM   170  O O   . SER   A 1 20  ? -40.043 -1.390  -33.782 1.00 13.33 ? 26  SER   B O   1 
ATOM   171  C CB  . SER   A 1 20  ? -40.649 -3.849  -35.323 1.00 13.94 ? 26  SER   B CB  1 
ATOM   172  O OG  . SER   A 1 20  ? -41.815 -4.288  -34.671 1.00 16.99 ? 26  SER   B OG  1 
ATOM   173  N N   . TRP   A 1 21  ? -40.151 -2.811  -32.045 1.00 11.06 ? 27  TRP   B N   1 
ATOM   174  C CA  . TRP   A 1 21  ? -40.445 -1.786  -31.027 1.00 12.34 ? 27  TRP   B CA  1 
ATOM   175  C C   . TRP   A 1 21  ? -39.213 -1.307  -30.289 1.00 12.20 ? 27  TRP   B C   1 
ATOM   176  O O   . TRP   A 1 21  ? -39.343 -0.386  -29.484 1.00 12.93 ? 27  TRP   B O   1 
ATOM   177  C CB  . TRP   A 1 21  ? -41.464 -2.301  -30.041 1.00 12.56 ? 27  TRP   B CB  1 
ATOM   178  C CG  . TRP   A 1 21  ? -42.862 -2.379  -30.600 1.00 13.17 ? 27  TRP   B CG  1 
ATOM   179  C CD1 . TRP   A 1 21  ? -43.254 -2.877  -31.811 1.00 13.00 ? 27  TRP   B CD1 1 
ATOM   180  C CD2 . TRP   A 1 21  ? -44.048 -1.957  -29.934 1.00 14.98 ? 27  TRP   B CD2 1 
ATOM   181  N NE1 . TRP   A 1 21  ? -44.628 -2.762  -31.941 1.00 15.70 ? 27  TRP   B NE1 1 
ATOM   182  C CE2 . TRP   A 1 21  ? -45.130 -2.251  -30.787 1.00 14.28 ? 27  TRP   B CE2 1 
ATOM   183  C CE3 . TRP   A 1 21  ? -44.286 -1.413  -28.670 1.00 17.36 ? 27  TRP   B CE3 1 
ATOM   184  C CZ2 . TRP   A 1 21  ? -46.454 -1.938  -30.408 1.00 17.14 ? 27  TRP   B CZ2 1 
ATOM   185  C CZ3 . TRP   A 1 21  ? -45.592 -1.123  -28.295 1.00 19.17 ? 27  TRP   B CZ3 1 
ATOM   186  C CH2 . TRP   A 1 21  ? -46.648 -1.441  -29.139 1.00 19.41 ? 27  TRP   B CH2 1 
ATOM   187  N N   . LEU   A 1 22  ? -38.037 -1.894  -30.590 1.00 12.16 ? 28  LEU   B N   1 
ATOM   188  C CA  . LEU   A 1 22  ? -36.809 -1.496  -29.866 1.00 12.59 ? 28  LEU   B CA  1 
ATOM   189  C C   . LEU   A 1 22  ? -36.202 -0.232  -30.492 1.00 12.39 ? 28  LEU   B C   1 
ATOM   190  O O   . LEU   A 1 22  ? -36.193 -0.079  -31.720 1.00 12.55 ? 28  LEU   B O   1 
ATOM   191  C CB  . LEU   A 1 22  ? -35.794 -2.645  -29.863 1.00 11.31 ? 28  LEU   B CB  1 
ATOM   192  C CG  . LEU   A 1 22  ? -36.245 -3.912  -29.141 1.00 12.56 ? 28  LEU   B CG  1 
ATOM   193  C CD1 . LEU   A 1 22  ? -35.124 -4.933  -29.091 1.00 12.57 ? 28  LEU   B CD1 1 
ATOM   194  C CD2 . LEU   A 1 22  ? -36.717 -3.655  -27.754 1.00 13.97 ? 28  LEU   B CD2 1 
ATOM   195  N N   . ILE   A 1 23  ? -35.562 0.528   -29.626 1.00 12.12 ? 29  ILE   B N   1 
ATOM   196  C CA  . ILE   A 1 23  ? -34.767 1.729   -30.002 1.00 13.14 ? 29  ILE   B CA  1 
ATOM   197  C C   . ILE   A 1 23  ? -33.322 1.472   -29.567 1.00 13.43 ? 29  ILE   B C   1 
ATOM   198  O O   . ILE   A 1 23  ? -33.056 1.365   -28.341 1.00 13.39 ? 29  ILE   B O   1 
ATOM   199  C CB  . ILE   A 1 23  ? -35.321 2.985   -29.368 1.00 14.57 ? 29  ILE   B CB  1 
ATOM   200  C CG1 . ILE   A 1 23  ? -36.802 3.244   -29.741 1.00 15.13 ? 29  ILE   B CG1 1 
ATOM   201  C CG2 . ILE   A 1 23  ? -34.458 4.203   -29.725 1.00 15.39 ? 29  ILE   B CG2 1 
ATOM   202  C CD1 . ILE   A 1 23  ? -37.433 4.339   -29.002 1.00 17.03 ? 29  ILE   B CD1 1 
ATOM   203  N N   . ILE   A 1 24  ? -32.453 1.394   -30.557 1.00 15.60 ? 30  ILE   B N   1 
ATOM   204  C CA  . ILE   A 1 24  ? -30.999 1.195   -30.347 1.00 15.66 ? 30  ILE   B CA  1 
ATOM   205  C C   . ILE   A 1 24  ? -30.322 2.544   -30.506 1.00 17.24 ? 30  ILE   B C   1 
ATOM   206  O O   . ILE   A 1 24  ? -30.565 3.272   -31.527 1.00 17.84 ? 30  ILE   B O   1 
ATOM   207  C CB  . ILE   A 1 24  ? -30.461 0.135   -31.282 1.00 16.86 ? 30  ILE   B CB  1 
ATOM   208  C CG1 . ILE   A 1 24  ? -31.011 -1.234  -30.905 1.00 19.96 ? 30  ILE   B CG1 1 
ATOM   209  C CG2 . ILE   A 1 24  ? -28.929 0.094   -31.236 1.00 17.42 ? 30  ILE   B CG2 1 
ATOM   210  C CD1 . ILE   A 1 24  ? -30.759 -2.235  -31.871 1.00 23.03 ? 30  ILE   B CD1 1 
ATOM   211  N N   . SER   A 1 25  ? -29.421 2.877   -29.613 1.00 16.24 ? 31  SER   B N   1 
ATOM   212  C CA  . SER   A 1 25  ? -28.740 4.185   -29.637 1.00 16.16 ? 31  SER   B CA  1 
ATOM   213  C C   . SER   A 1 25  ? -27.824 4.294   -30.876 1.00 15.15 ? 31  SER   B C   1 
ATOM   214  O O   . SER   A 1 25  ? -27.445 3.293   -31.466 1.00 15.71 ? 31  SER   B O   1 
ATOM   215  C CB  . SER   A 1 25  ? -28.008 4.364   -28.362 1.00 17.60 ? 31  SER   B CB  1 
ATOM   216  O OG  . SER   A 1 25  ? -27.017 3.348   -28.229 1.00 17.36 ? 31  SER   B OG  1 
ATOM   217  N N   . LYS   A 1 26  ? -27.441 5.533   -31.230 1.00 18.87 ? 32  LYS   B N   1 
ATOM   218  C CA  . LYS   A 1 26  ? -26.561 5.767   -32.408 1.00 19.18 ? 32  LYS   B CA  1 
ATOM   219  C C   . LYS   A 1 26  ? -25.262 4.962   -32.306 1.00 17.18 ? 32  LYS   B C   1 
ATOM   220  O O   . LYS   A 1 26  ? -24.808 4.456   -33.336 1.00 20.61 ? 32  LYS   B O   1 
ATOM   221  C CB  . LYS   A 1 26  ? -26.230 7.262   -32.473 1.00 21.65 ? 32  LYS   B CB  1 
ATOM   222  C CG  . LYS   A 1 26  ? -25.305 7.640   -33.603 1.00 25.15 ? 32  LYS   B CG  1 
ATOM   223  C CD  . LYS   A 1 26  ? -25.415 9.121   -33.884 1.00 25.83 ? 32  LYS   B CD  1 
ATOM   224  C CE  . LYS   A 1 26  ? -25.288 9.927   -32.619 1.00 30.92 ? 32  LYS   B CE  1 
ATOM   225  N NZ  . LYS   A 1 26  ? -25.350 11.354  -32.962 1.00 33.85 ? 32  LYS   B NZ  1 
ATOM   226  N N   . ASP   A 1 27  ? -24.701 4.877   -31.097 1.00 17.78 ? 33  ASP   B N   1 
ATOM   227  C CA  . ASP   A 1 27  ? -23.420 4.149   -30.873 1.00 17.48 ? 33  ASP   B CA  1 
ATOM   228  C C   . ASP   A 1 27  ? -23.647 2.622   -30.842 1.00 16.34 ? 33  ASP   B C   1 
ATOM   229  O O   . ASP   A 1 27  ? -22.648 1.882   -30.753 1.00 16.84 ? 33  ASP   B O   1 
ATOM   230  C CB  . ASP   A 1 27  ? -22.679 4.639   -29.628 1.00 18.43 ? 33  ASP   B CB  1 
ATOM   231  C CG  . ASP   A 1 27  ? -23.329 4.374   -28.287 1.00 19.16 ? 33  ASP   B CG  1 
ATOM   232  O OD1 . ASP   A 1 27  ? -24.433 3.715   -28.261 1.00 18.95 ? 33  ASP   B OD1 1 
ATOM   233  O OD2 . ASP   A 1 27  ? -22.723 4.797   -27.277 1.00 22.91 ? 33  ASP   B OD2 1 
ATOM   234  N N   . ARG   A 1 28  ? -24.876 2.142   -30.950 1.00 14.93 ? 34  ARG   B N   1 
ATOM   235  C CA  . ARG   A 1 28  ? -25.209 0.696   -30.961 1.00 15.34 ? 34  ARG   B CA  1 
ATOM   236  C C   . ARG   A 1 28  ? -24.774 0.058   -29.623 1.00 12.95 ? 34  ARG   B C   1 
ATOM   237  O O   . ARG   A 1 28  ? -24.592 -1.193  -29.608 1.00 13.64 ? 34  ARG   B O   1 
ATOM   238  C CB  . ARG   A 1 28  ? -24.654 0.021   -32.215 1.00 19.03 ? 34  ARG   B CB  1 
ATOM   239  C CG  . ARG   A 1 28  ? -25.267 0.618   -33.476 1.00 23.36 ? 34  ARG   B CG  1 
ATOM   240  C CD  . ARG   A 1 28  ? -24.850 0.015   -34.775 1.00 30.47 ? 34  ARG   B CD  1 
ATOM   241  N NE  . ARG   A 1 28  ? -23.424 -0.153  -34.935 1.00 39.47 ? 34  ARG   B NE  1 
ATOM   242  C CZ  . ARG   A 1 28  ? -22.753 -1.314  -34.837 1.00 53.11 ? 34  ARG   B CZ  1 
ATOM   243  N NH1 . ARG   A 1 28  ? -23.371 -2.472  -34.578 1.00 50.18 ? 34  ARG   B NH1 1 
ATOM   244  N NH2 . ARG   A 1 28  ? -21.439 -1.302  -35.023 1.00 57.58 ? 34  ARG   B NH2 1 
ATOM   245  N N   . ARG   A 1 29  ? -24.734 0.793   -28.538 1.00 12.33 ? 35  ARG   B N   1 
ATOM   246  C CA  . ARG   A 1 29  ? -24.345 0.260   -27.213 1.00 14.04 ? 35  ARG   B CA  1 
ATOM   247  C C   . ARG   A 1 29  ? -25.492 0.242   -26.215 1.00 13.57 ? 35  ARG   B C   1 
ATOM   248  O O   . ARG   A 1 29  ? -25.308 -0.306  -25.113 1.00 14.06 ? 35  ARG   B O   1 
ATOM   249  C CB  . ARG   A 1 29  ? -23.177 1.036   -26.612 1.00 14.49 ? 35  ARG   B CB  1 
ATOM   250  C CG  . ARG   A 1 29  ? -21.943 0.933   -27.498 1.00 17.36 ? 35  ARG   B CG  1 
ATOM   251  C CD  . ARG   A 1 29  ? -21.085 -0.276  -27.288 1.00 18.07 ? 35  ARG   B CD  1 
ATOM   252  N NE  . ARG   A 1 29  ? -20.325 -0.082  -26.053 1.00 19.01 ? 35  ARG   B NE  1 
ATOM   253  C CZ  . ARG   A 1 29  ? -19.560 -1.018  -25.468 1.00 18.48 ? 35  ARG   B CZ  1 
ATOM   254  N NH1 . ARG   A 1 29  ? -19.502 -2.211  -25.999 1.00 18.53 ? 35  ARG   B NH1 1 
ATOM   255  N NH2 . ARG   A 1 29  ? -18.939 -0.750  -24.333 1.00 19.60 ? 35  ARG   B NH2 1 
ATOM   256  N N   . GLN   A 1 30  ? -26.656 0.818   -26.512 1.00 12.20 ? 36  GLN   B N   1 
ATOM   257  C CA  . GLN   A 1 30  ? -27.816 0.844   -25.600 1.00 13.00 ? 36  GLN   B CA  1 
ATOM   258  C C   . GLN   A 1 30  ? -29.075 0.475   -26.360 1.00 12.39 ? 36  GLN   B C   1 
ATOM   259  O O   . GLN   A 1 30  ? -29.182 0.713   -27.582 1.00 13.03 ? 36  GLN   B O   1 
ATOM   260  C CB  . GLN   A 1 30  ? -28.036 2.228   -24.981 1.00 15.19 ? 36  GLN   B CB  1 
ATOM   261  C CG  . GLN   A 1 30  ? -26.767 2.833   -24.435 1.00 18.70 ? 36  GLN   B CG  1 
ATOM   262  C CD  . GLN   A 1 30  ? -27.098 4.054   -23.610 1.00 22.69 ? 36  GLN   B CD  1 
ATOM   263  O OE1 . GLN   A 1 30  ? -28.250 4.289   -23.218 1.00 25.74 ? 36  GLN   B OE1 1 
ATOM   264  N NE2 . GLN   A 1 30  ? -26.096 4.873   -23.402 1.00 27.54 ? 36  GLN   B NE2 1 
ATOM   265  N N   . VAL   A 1 31  ? -29.998 -0.176  -25.668 1.00 11.63 ? 37  VAL   B N   1 
ATOM   266  C CA  . VAL   A 1 31  ? -31.291 -0.555  -26.290 1.00 11.91 ? 37  VAL   B CA  1 
ATOM   267  C C   . VAL   A 1 31  ? -32.377 -0.401  -25.240 1.00 12.00 ? 37  VAL   B C   1 
ATOM   268  O O   . VAL   A 1 31  ? -32.169 -0.760  -24.076 1.00 11.67 ? 37  VAL   B O   1 
ATOM   269  C CB  . VAL   A 1 31  ? -31.241 -1.959  -26.897 1.00 11.29 ? 37  VAL   B CB  1 
ATOM   270  C CG1 . VAL   A 1 31  ? -30.840 -3.042  -25.878 1.00 11.50 ? 37  VAL   B CG1 1 
ATOM   271  C CG2 . VAL   A 1 31  ? -32.566 -2.315  -27.551 1.00 12.50 ? 37  VAL   B CG2 1 
ATOM   272  N N   . ARG   A 1 32  ? -33.531 0.108   -25.651 1.00 12.09 ? 38  ARG   B N   1 
ATOM   273  C CA  . ARG   A 1 32  ? -34.715 0.196   -24.762 1.00 12.80 ? 38  ARG   B CA  1 
ATOM   274  C C   . ARG   A 1 32  ? -35.982 -0.112  -25.581 1.00 12.57 ? 38  ARG   B C   1 
ATOM   275  O O   . ARG   A 1 32  ? -35.983 -0.034  -26.821 1.00 11.26 ? 38  ARG   B O   1 
ATOM   276  C CB  . ARG   A 1 32  ? -34.823 1.581   -24.127 1.00 14.27 ? 38  ARG   B CB  1 
ATOM   277  C CG  . ARG   A 1 32  ? -35.137 2.700   -25.101 1.00 17.26 ? 38  ARG   B CG  1 
ATOM   278  C CD  . ARG   A 1 32  ? -35.038 4.015   -24.334 1.00 19.97 ? 38  ARG   B CD  1 
ATOM   279  N NE  . ARG   A 1 32  ? -35.329 5.144   -25.195 1.00 24.99 ? 38  ARG   B NE  1 
ATOM   280  C CZ  . ARG   A 1 32  ? -36.527 5.615   -25.491 1.00 22.69 ? 38  ARG   B CZ  1 
ATOM   281  N NH1 . ARG   A 1 32  ? -37.641 5.056   -25.046 1.00 27.00 ? 38  ARG   B NH1 1 
ATOM   282  N NH2 . ARG   A 1 32  ? -36.590 6.674   -26.291 1.00 28.35 ? 38  ARG   B NH2 1 
ATOM   283  N N   A MET   A 1 33  ? -37.038 -0.414  -24.829 0.39 12.50 ? 39  MET   B N   1 
ATOM   284  N N   B MET   A 1 33  ? -37.060 -0.520  -24.913 0.35 13.03 ? 39  MET   B N   1 
ATOM   285  C CA  A MET   A 1 33  ? -38.414 -0.598  -25.350 0.39 13.95 ? 39  MET   B CA  1 
ATOM   286  C CA  B MET   A 1 33  ? -38.341 -0.801  -25.625 0.35 14.41 ? 39  MET   B CA  1 
ATOM   287  C C   A MET   A 1 33  ? -38.969 0.766   -25.759 0.39 13.42 ? 39  MET   B C   1 
ATOM   288  C C   B MET   A 1 33  ? -39.120 0.507   -25.743 0.35 13.87 ? 39  MET   B C   1 
ATOM   289  O O   A MET   A 1 33  ? -38.889 1.735   -24.982 0.39 14.13 ? 39  MET   B O   1 
ATOM   290  O O   B MET   A 1 33  ? -39.443 1.079   -24.678 0.35 12.80 ? 39  MET   B O   1 
ATOM   291  C CB  A MET   A 1 33  ? -39.294 -1.254  -24.279 0.39 15.02 ? 39  MET   B CB  1 
ATOM   292  C CB  B MET   A 1 33  ? -39.207 -1.848  -24.909 0.35 16.05 ? 39  MET   B CB  1 
ATOM   293  C CG  A MET   A 1 33  ? -40.728 -1.562  -24.744 0.39 17.04 ? 39  MET   B CG  1 
ATOM   294  C CG  B MET   A 1 33  ? -40.601 -2.030  -25.579 0.35 19.19 ? 39  MET   B CG  1 
ATOM   295  S SD  A MET   A 1 33  ? -40.736 -2.610  -26.266 0.39 20.36 ? 39  MET   B SD  1 
ATOM   296  S SD  B MET   A 1 33  ? -41.315 -3.657  -25.211 0.35 20.50 ? 39  MET   B SD  1 
ATOM   297  C CE  A MET   A 1 33  ? -42.318 -3.445  -26.134 0.39 20.81 ? 39  MET   B CE  1 
ATOM   298  C CE  B MET   A 1 33  ? -42.486 -3.791  -26.561 0.35 20.51 ? 39  MET   B CE  1 
ATOM   299  N N   . GLY   A 1 34  ? -39.411 0.875   -26.998 1.00 13.78 ? 40  GLY   B N   1 
ATOM   300  C CA  . GLY   A 1 34  ? -40.188 2.063   -27.391 1.00 15.85 ? 40  GLY   B CA  1 
ATOM   301  C C   . GLY   A 1 34  ? -41.643 1.887   -27.022 1.00 18.02 ? 40  GLY   B C   1 
ATOM   302  O O   . GLY   A 1 34  ? -42.070 0.798   -26.627 1.00 19.10 ? 40  GLY   B O   1 
ATOM   303  N N   . ASP   A 1 35  ? -42.401 2.973   -27.091 1.00 23.52 ? 41  ASP   B N   1 
ATOM   304  C CA  . ASP   A 1 35  ? -43.809 2.788   -26.634 1.00 26.17 ? 41  ASP   B CA  1 
ATOM   305  C C   . ASP   A 1 35  ? -44.688 2.411   -27.850 1.00 23.67 ? 41  ASP   B C   1 
ATOM   306  O O   . ASP   A 1 35  ? -45.930 2.275   -27.683 1.00 22.28 ? 41  ASP   B O   1 
ATOM   307  C CB  . ASP   A 1 35  ? -44.256 3.965   -25.759 1.00 35.27 ? 41  ASP   B CB  1 
ATOM   308  C CG  . ASP   A 1 35  ? -43.715 3.925   -24.319 1.00 47.28 ? 41  ASP   B CG  1 
ATOM   309  O OD1 . ASP   A 1 35  ? -43.319 2.823   -23.858 1.00 54.35 ? 41  ASP   B OD1 1 
ATOM   310  O OD2 . ASP   A 1 35  ? -43.713 4.996   -23.644 1.00 54.61 ? 41  ASP   B OD2 1 
ATOM   311  N N   . HIS   A 1 37  ? -44.382 0.804   -32.449 1.00 14.77 ? 43  HIS   B N   1 
ATOM   312  C CA  . HIS   A 1 37  ? -43.565 0.341   -33.600 1.00 13.99 ? 43  HIS   B CA  1 
ATOM   313  C C   . HIS   A 1 37  ? -42.600 1.437   -34.032 1.00 14.93 ? 43  HIS   B C   1 
ATOM   314  O O   . HIS   A 1 37  ? -43.056 2.595   -34.190 1.00 15.56 ? 43  HIS   B O   1 
ATOM   315  C CB  . HIS   A 1 37  ? -44.497 -0.129  -34.730 1.00 13.62 ? 43  HIS   B CB  1 
ATOM   316  C CG  . HIS   A 1 37  ? -43.871 -0.785  -35.910 1.00 12.61 ? 43  HIS   B CG  1 
ATOM   317  N ND1 . HIS   A 1 37  ? -43.054 -0.147  -36.830 1.00 13.26 ? 43  HIS   B ND1 1 
ATOM   318  C CD2 . HIS   A 1 37  ? -43.985 -2.060  -36.351 1.00 12.97 ? 43  HIS   B CD2 1 
ATOM   319  C CE1 . HIS   A 1 37  ? -42.730 -0.985  -37.774 1.00 13.07 ? 43  HIS   B CE1 1 
ATOM   320  N NE2 . HIS   A 1 37  ? -43.286 -2.217  -37.503 1.00 13.42 ? 43  HIS   B NE2 1 
ATOM   321  N N   . GLN   A 1 38  ? -41.325 1.108   -34.279 1.00 13.65 ? 44  GLN   B N   1 
ATOM   322  C CA  . GLN   A 1 38  ? -40.292 2.120   -34.541 1.00 13.31 ? 44  GLN   B CA  1 
ATOM   323  C C   . GLN   A 1 38  ? -40.115 2.397   -36.045 1.00 14.94 ? 44  GLN   B C   1 
ATOM   324  O O   . GLN   A 1 38  ? -39.088 2.990   -36.431 1.00 15.90 ? 44  GLN   B O   1 
ATOM   325  C CB  . GLN   A 1 38  ? -38.997 1.684   -33.845 1.00 12.86 ? 44  GLN   B CB  1 
ATOM   326  C CG  . GLN   A 1 38  ? -39.102 1.760   -32.347 1.00 12.94 ? 44  GLN   B CG  1 
ATOM   327  C CD  . GLN   A 1 38  ? -39.600 3.083   -31.836 1.00 13.56 ? 44  GLN   B CD  1 
ATOM   328  O OE1 . GLN   A 1 38  ? -40.555 3.221   -31.063 1.00 17.02 ? 44  GLN   B OE1 1 
ATOM   329  N NE2 . GLN   A 1 38  ? -38.956 4.146   -32.267 1.00 12.71 ? 44  GLN   B NE2 1 
ATOM   330  N N   . ASN   A 1 39  ? -41.076 2.024   -36.874 1.00 13.59 ? 45  ASN   B N   1 
ATOM   331  C CA  . ASN   A 1 39  ? -41.157 2.475   -38.293 1.00 13.34 ? 45  ASN   B CA  1 
ATOM   332  C C   . ASN   A 1 39  ? -40.038 1.870   -39.123 1.00 14.64 ? 45  ASN   B C   1 
ATOM   333  O O   . ASN   A 1 39  ? -39.578 2.460   -40.112 1.00 15.80 ? 45  ASN   B O   1 
ATOM   334  C CB  . ASN   A 1 39  ? -41.210 4.015   -38.397 1.00 14.18 ? 45  ASN   B CB  1 
ATOM   335  C CG  . ASN   A 1 39  ? -41.817 4.433   -39.731 1.00 14.27 ? 45  ASN   B CG  1 
ATOM   336  O OD1 . ASN   A 1 39  ? -42.693 3.754   -40.258 1.00 13.95 ? 45  ASN   B OD1 1 
ATOM   337  N ND2 . ASN   A 1 39  ? -41.386 5.571   -40.284 1.00 13.87 ? 45  ASN   B ND2 1 
ATOM   338  N N   . VAL   A 1 40  ? -39.690 0.617   -38.833 1.00 16.47 ? 46  VAL   B N   1 
ATOM   339  C CA  . VAL   A 1 40  ? -38.728 -0.204  -39.615 1.00 16.68 ? 46  VAL   B CA  1 
ATOM   340  C C   . VAL   A 1 40  ? -39.477 -1.248  -40.446 1.00 15.84 ? 46  VAL   B C   1 
ATOM   341  O O   . VAL   A 1 40  ? -40.552 -1.662  -40.054 1.00 16.81 ? 46  VAL   B O   1 
ATOM   342  C CB  . VAL   A 1 40  ? -37.701 -0.892  -38.704 1.00 17.50 ? 46  VAL   B CB  1 
ATOM   343  C CG1 . VAL   A 1 40  ? -36.763 0.110   -38.060 1.00 20.76 ? 46  VAL   B CG1 1 
ATOM   344  C CG2 . VAL   A 1 40  ? -38.345 -1.761  -37.641 1.00 18.28 ? 46  VAL   B CG2 1 
ATOM   345  N N   . SER   A 1 41  ? -38.890 -1.701  -41.550 1.00 18.75 ? 47  SER   B N   1 
ATOM   346  C CA  . SER   A 1 41  ? -39.448 -2.830  -42.328 1.00 19.83 ? 47  SER   B CA  1 
ATOM   347  C C   . SER   A 1 41  ? -39.255 -4.155  -41.593 1.00 19.00 ? 47  SER   B C   1 
ATOM   348  O O   . SER   A 1 41  ? -38.311 -4.268  -40.799 1.00 18.01 ? 47  SER   B O   1 
ATOM   349  C CB  . SER   A 1 41  ? -38.858 -2.894  -43.723 1.00 22.67 ? 47  SER   B CB  1 
ATOM   350  O OG  . SER   A 1 41  ? -37.449 -3.036  -43.657 1.00 24.65 ? 47  SER   B OG  1 
ATOM   351  N N   . ASP   A 1 42  ? -40.115 -5.129  -41.837 1.00 19.27 ? 48  ASP   B N   1 
ATOM   352  C CA  . ASP   A 1 42  ? -39.961 -6.494  -41.305 1.00 18.80 ? 48  ASP   B CA  1 
ATOM   353  C C   . ASP   A 1 42  ? -38.872 -7.212  -42.093 1.00 19.81 ? 48  ASP   B C   1 
ATOM   354  O O   . ASP   A 1 42  ? -38.594 -6.850  -43.256 1.00 20.00 ? 48  ASP   B O   1 
ATOM   355  C CB  . ASP   A 1 42  ? -41.275 -7.259  -41.303 1.00 20.75 ? 48  ASP   B CB  1 
ATOM   356  C CG  . ASP   A 1 42  ? -41.195 -8.495  -40.442 1.00 24.91 ? 48  ASP   B CG  1 
ATOM   357  O OD1 . ASP   A 1 42  ? -40.483 -8.461  -39.350 1.00 20.36 ? 48  ASP   B OD1 1 
ATOM   358  O OD2 . ASP   A 1 42  ? -41.724 -9.520  -40.930 1.00 31.83 ? 48  ASP   B OD2 1 
ATOM   359  N N   . ASN   A 1 43  ? -38.242 -8.209  -41.461 1.00 17.94 ? 49  ASN   B N   1 
ATOM   360  C CA  . ASN   A 1 43  ? -37.231 -9.080  -42.103 1.00 18.54 ? 49  ASN   B CA  1 
ATOM   361  C C   . ASN   A 1 43  ? -37.181 -10.389 -41.316 1.00 18.64 ? 49  ASN   B C   1 
ATOM   362  O O   . ASN   A 1 43  ? -37.765 -10.482 -40.194 1.00 18.85 ? 49  ASN   B O   1 
ATOM   363  C CB  . ASN   A 1 43  ? -35.894 -8.406  -42.271 1.00 17.54 ? 49  ASN   B CB  1 
ATOM   364  C CG  . ASN   A 1 43  ? -35.159 -8.209  -40.961 1.00 17.54 ? 49  ASN   B CG  1 
ATOM   365  O OD1 . ASN   A 1 43  ? -34.967 -9.167  -40.220 1.00 20.82 ? 49  ASN   B OD1 1 
ATOM   366  N ND2 . ASN   A 1 43  ? -34.771 -7.020  -40.648 1.00 17.23 ? 49  ASN   B ND2 1 
ATOM   367  N N   . LYS   A 1 44  ? -36.574 -11.404 -41.890 1.00 18.57 ? 50  LYS   B N   1 
ATOM   368  C CA  . LYS   A 1 44  ? -36.604 -12.767 -41.317 1.00 20.76 ? 50  LYS   B CA  1 
ATOM   369  C C   . LYS   A 1 44  ? -35.715 -12.832 -40.056 1.00 17.93 ? 50  LYS   B C   1 
ATOM   370  O O   . LYS   A 1 44  ? -35.927 -13.799 -39.285 1.00 19.18 ? 50  LYS   B O   1 
ATOM   371  C CB  . LYS   A 1 44  ? -36.105 -13.783 -42.354 1.00 24.31 ? 50  LYS   B CB  1 
ATOM   372  C CG  . LYS   A 1 44  ? -34.649 -13.597 -42.728 1.00 28.00 ? 50  LYS   B CG  1 
ATOM   373  C CD  . LYS   A 1 44  ? -34.229 -14.259 -44.021 1.00 36.49 ? 50  LYS   B CD  1 
ATOM   374  C CE  . LYS   A 1 44  ? -32.731 -14.477 -44.052 1.00 42.22 ? 50  LYS   B CE  1 
ATOM   375  N NZ  . LYS   A 1 44  ? -32.395 -15.677 -44.853 1.00 49.89 ? 50  LYS   B NZ  1 
ATOM   376  N N   . GLU   A 1 45  ? -34.807 -11.883 -39.843 1.00 16.99 ? 51  GLU   B N   1 
ATOM   377  C CA  . GLU   A 1 45  ? -33.908 -11.889 -38.649 1.00 16.85 ? 51  GLU   B CA  1 
ATOM   378  C C   . GLU   A 1 45  ? -34.634 -11.361 -37.395 1.00 16.02 ? 51  GLU   B C   1 
ATOM   379  O O   . GLU   A 1 45  ? -34.197 -11.689 -36.275 1.00 16.85 ? 51  GLU   B O   1 
ATOM   380  C CB  . GLU   A 1 45  ? -32.680 -11.044 -38.909 1.00 20.20 ? 51  GLU   B CB  1 
ATOM   381  C CG  . GLU   A 1 45  ? -31.803 -11.524 -40.053 1.00 25.80 ? 51  GLU   B CG  1 
ATOM   382  C CD  . GLU   A 1 45  ? -30.663 -10.541 -40.280 1.00 33.08 ? 51  GLU   B CD  1 
ATOM   383  O OE1 . GLU   A 1 45  ? -30.672 -9.856  -41.334 1.00 44.72 ? 51  GLU   B OE1 1 
ATOM   384  O OE2 . GLU   A 1 45  ? -29.786 -10.405 -39.395 1.00 36.76 ? 51  GLU   B OE2 1 
ATOM   385  N N   . ARG   A 1 46  ? -35.680 -10.546 -37.503 1.00 14.18 ? 52  ARG   B N   1 
ATOM   386  C CA  . ARG   A 1 46  ? -36.214 -9.829  -36.318 1.00 14.24 ? 52  ARG   B CA  1 
ATOM   387  C C   . ARG   A 1 46  ? -36.935 -10.780 -35.391 1.00 13.18 ? 52  ARG   B C   1 
ATOM   388  O O   . ARG   A 1 46  ? -37.782 -11.589 -35.791 1.00 14.57 ? 52  ARG   B O   1 
ATOM   389  C CB  . ARG   A 1 46  ? -37.194 -8.733  -36.741 1.00 13.48 ? 52  ARG   B CB  1 
ATOM   390  C CG  . ARG   A 1 46  ? -36.590 -7.584  -37.518 1.00 14.51 ? 52  ARG   B CG  1 
ATOM   391  C CD  . ARG   A 1 46  ? -37.550 -6.375  -37.470 1.00 14.16 ? 52  ARG   B CD  1 
ATOM   392  N NE  . ARG   A 1 46  ? -37.046 -5.346  -38.352 1.00 15.61 ? 52  ARG   B NE  1 
ATOM   393  C CZ  . ARG   A 1 46  ? -35.959 -4.625  -38.133 1.00 14.47 ? 52  ARG   B CZ  1 
ATOM   394  N NH1 . ARG   A 1 46  ? -35.324 -4.648  -36.961 1.00 13.45 ? 52  ARG   B NH1 1 
ATOM   395  N NH2 . ARG   A 1 46  ? -35.513 -3.801  -39.079 1.00 17.27 ? 52  ARG   B NH2 1 
ATOM   396  N N   . PHE   A 1 47  ? -36.655 -10.697 -34.103 1.00 11.99 ? 53  PHE   B N   1 
ATOM   397  C CA  . PHE   A 1 47  ? -37.459 -11.420 -33.105 1.00 11.90 ? 53  PHE   B CA  1 
ATOM   398  C C   . PHE   A 1 47  ? -38.881 -10.821 -33.098 1.00 13.53 ? 53  PHE   B C   1 
ATOM   399  O O   . PHE   A 1 47  ? -39.030 -9.611  -32.833 1.00 14.62 ? 53  PHE   B O   1 
ATOM   400  C CB  . PHE   A 1 47  ? -36.870 -11.342 -31.700 1.00 11.47 ? 53  PHE   B CB  1 
ATOM   401  C CG  . PHE   A 1 47  ? -35.615 -12.173 -31.563 1.00 11.15 ? 53  PHE   B CG  1 
ATOM   402  C CD1 . PHE   A 1 47  ? -35.717 -13.538 -31.314 1.00 11.38 ? 53  PHE   B CD1 1 
ATOM   403  C CD2 . PHE   A 1 47  ? -34.351 -11.611 -31.619 1.00 12.34 ? 53  PHE   B CD2 1 
ATOM   404  C CE1 . PHE   A 1 47  ? -34.587 -14.338 -31.182 1.00 12.67 ? 53  PHE   B CE1 1 
ATOM   405  C CE2 . PHE   A 1 47  ? -33.220 -12.410 -31.431 1.00 12.24 ? 53  PHE   B CE2 1 
ATOM   406  C CZ  . PHE   A 1 47  ? -33.354 -13.783 -31.277 1.00 11.48 ? 53  PHE   B CZ  1 
ATOM   407  N N   . SER   A 1 48  ? -39.903 -11.610 -33.376 1.00 14.32 ? 54  SER   B N   1 
ATOM   408  C CA  . SER   A 1 48  ? -41.275 -11.067 -33.545 1.00 15.53 ? 54  SER   B CA  1 
ATOM   409  C C   . SER   A 1 48  ? -42.038 -10.984 -32.239 1.00 15.04 ? 54  SER   B C   1 
ATOM   410  O O   . SER   A 1 48  ? -42.851 -10.033 -32.085 1.00 17.11 ? 54  SER   B O   1 
ATOM   411  C CB  . SER   A 1 48  ? -42.013 -11.907 -34.565 1.00 16.13 ? 54  SER   B CB  1 
ATOM   412  O OG  . SER   A 1 48  ? -42.157 -13.251 -34.159 1.00 15.74 ? 54  SER   B OG  1 
ATOM   413  N N   . ASN   A 1 49  ? -41.889 -11.906 -31.323 1.00 14.08 ? 55  ASN   B N   1 
ATOM   414  C CA  . ASN   A 1 49  ? -42.826 -12.069 -30.185 1.00 14.29 ? 55  ASN   B CA  1 
ATOM   415  C C   . ASN   A 1 49  ? -42.325 -11.411 -28.903 1.00 13.67 ? 55  ASN   B C   1 
ATOM   416  O O   . ASN   A 1 49  ? -43.099 -11.280 -27.938 1.00 14.47 ? 55  ASN   B O   1 
ATOM   417  C CB  . ASN   A 1 49  ? -43.164 -13.531 -29.892 1.00 15.15 ? 55  ASN   B CB  1 
ATOM   418  C CG  . ASN   A 1 49  ? -44.090 -14.169 -30.916 1.00 18.64 ? 55  ASN   B CG  1 
ATOM   419  O OD1 . ASN   A 1 49  ? -43.878 -14.047 -32.113 1.00 20.34 ? 55  ASN   B OD1 1 
ATOM   420  N ND2 . ASN   A 1 49  ? -45.053 -14.924 -30.409 1.00 22.95 ? 55  ASN   B ND2 1 
ATOM   421  N N   . TYR   A 1 50  ? -41.028 -11.085 -28.840 1.00 11.86 ? 56  TYR   B N   1 
ATOM   422  C CA  . TYR   A 1 50  ? -40.411 -10.621 -27.582 1.00 11.76 ? 56  TYR   B CA  1 
ATOM   423  C C   . TYR   A 1 50  ? -39.453 -9.471  -27.881 1.00 11.84 ? 56  TYR   B C   1 
ATOM   424  O O   . TYR   A 1 50  ? -38.910 -9.378  -28.991 1.00 12.07 ? 56  TYR   B O   1 
ATOM   425  C CB  . TYR   A 1 50  ? -39.607 -11.757 -26.946 1.00 11.66 ? 56  TYR   B CB  1 
ATOM   426  C CG  . TYR   A 1 50  ? -40.333 -13.083 -26.857 1.00 13.00 ? 56  TYR   B CG  1 
ATOM   427  C CD1 . TYR   A 1 50  ? -41.313 -13.287 -25.893 1.00 15.24 ? 56  TYR   B CD1 1 
ATOM   428  C CD2 . TYR   A 1 50  ? -40.031 -14.152 -27.677 1.00 13.71 ? 56  TYR   B CD2 1 
ATOM   429  C CE1 . TYR   A 1 50  ? -42.009 -14.495 -25.797 1.00 16.51 ? 56  TYR   B CE1 1 
ATOM   430  C CE2 . TYR   A 1 50  ? -40.747 -15.332 -27.638 1.00 14.93 ? 56  TYR   B CE2 1 
ATOM   431  C CZ  . TYR   A 1 50  ? -41.689 -15.525 -26.650 1.00 15.75 ? 56  TYR   B CZ  1 
ATOM   432  O OH  . TYR   A 1 50  ? -42.332 -16.745 -26.590 1.00 15.96 ? 56  TYR   B OH  1 
ATOM   433  N N   . PRO   A 1 51  ? -39.147 -8.621  -26.880 1.00 11.25 ? 57  PRO   B N   1 
ATOM   434  C CA  . PRO   A 1 51  ? -38.309 -7.446  -27.086 1.00 11.03 ? 57  PRO   B CA  1 
ATOM   435  C C   . PRO   A 1 51  ? -36.793 -7.760  -27.064 1.00 10.78 ? 57  PRO   B C   1 
ATOM   436  O O   . PRO   A 1 51  ? -36.044 -7.242  -26.239 1.00 11.99 ? 57  PRO   B O   1 
ATOM   437  C CB  . PRO   A 1 51  ? -38.716 -6.480  -25.938 1.00 12.69 ? 57  PRO   B CB  1 
ATOM   438  C CG  . PRO   A 1 51  ? -39.879 -7.118  -25.250 1.00 14.19 ? 57  PRO   B CG  1 
ATOM   439  C CD  . PRO   A 1 51  ? -39.785 -8.572  -25.569 1.00 11.81 ? 57  PRO   B CD  1 
ATOM   440  N N   . MET   A 1 52  ? -36.402 -8.612  -28.033 1.00 10.87 ? 58  MET   B N   1 
ATOM   441  C CA  . MET   A 1 52  ? -35.051 -9.204  -28.091 1.00 9.64  ? 58  MET   B CA  1 
ATOM   442  C C   . MET   A 1 52  ? -34.239 -8.596  -29.224 1.00 10.17 ? 58  MET   B C   1 
ATOM   443  O O   . MET   A 1 52  ? -34.753 -8.122  -30.265 1.00 10.69 ? 58  MET   B O   1 
ATOM   444  C CB  . MET   A 1 52  ? -35.170 -10.722 -28.297 1.00 10.34 ? 58  MET   B CB  1 
ATOM   445  C CG  . MET   A 1 52  ? -35.725 -11.416 -27.105 1.00 10.17 ? 58  MET   B CG  1 
ATOM   446  S SD  . MET   A 1 52  ? -36.201 -13.122 -27.513 1.00 12.23 ? 58  MET   B SD  1 
ATOM   447  C CE  . MET   A 1 52  ? -36.804 -13.742 -25.965 1.00 13.15 ? 58  MET   B CE  1 
ATOM   448  N N   . VAL   A 1 53  ? -32.909 -8.668  -29.062 1.00 9.82  ? 59  VAL   B N   1 
ATOM   449  C CA  . VAL   A 1 53  ? -31.941 -8.193  -30.085 1.00 10.04 ? 59  VAL   B CA  1 
ATOM   450  C C   . VAL   A 1 53  ? -30.643 -8.979  -29.887 1.00 10.94 ? 59  VAL   B C   1 
ATOM   451  O O   . VAL   A 1 53  ? -30.358 -9.384  -28.733 1.00 11.19 ? 59  VAL   B O   1 
ATOM   452  C CB  . VAL   A 1 53  ? -31.736 -6.659  -30.023 1.00 10.66 ? 59  VAL   B CB  1 
ATOM   453  C CG1 . VAL   A 1 53  ? -31.195 -6.206  -28.675 1.00 11.20 ? 59  VAL   B CG1 1 
ATOM   454  C CG2 . VAL   A 1 53  ? -30.867 -6.160  -31.186 1.00 11.24 ? 59  VAL   B CG2 1 
ATOM   455  N N   . LEU   A 1 54  ? -29.889 -9.160  -30.936 1.00 10.79 ? 60  LEU   B N   1 
ATOM   456  C CA  . LEU   A 1 54  ? -28.558 -9.809  -30.863 1.00 10.46 ? 60  LEU   B CA  1 
ATOM   457  C C   . LEU   A 1 54  ? -27.437 -8.805  -30.974 1.00 11.22 ? 60  LEU   B C   1 
ATOM   458  O O   . LEU   A 1 54  ? -27.555 -7.740  -31.687 1.00 11.82 ? 60  LEU   B O   1 
ATOM   459  C CB  . LEU   A 1 54  ? -28.397 -10.853 -31.968 1.00 11.04 ? 60  LEU   B CB  1 
ATOM   460  C CG  . LEU   A 1 54  ? -29.450 -11.940 -32.003 1.00 11.84 ? 60  LEU   B CG  1 
ATOM   461  C CD1 . LEU   A 1 54  ? -29.158 -13.038 -33.008 1.00 13.93 ? 60  LEU   B CD1 1 
ATOM   462  C CD2 . LEU   A 1 54  ? -29.662 -12.563 -30.636 1.00 12.35 ? 60  LEU   B CD2 1 
ATOM   463  N N   . GLY   A 1 55  ? -26.280 -9.156  -30.421 1.00 10.92 ? 61  GLY   B N   1 
ATOM   464  C CA  . GLY   A 1 55  ? -25.015 -8.478  -30.778 1.00 11.64 ? 61  GLY   B CA  1 
ATOM   465  C C   . GLY   A 1 55  ? -24.621 -8.778  -32.228 1.00 11.10 ? 61  GLY   B C   1 
ATOM   466  O O   . GLY   A 1 55  ? -24.932 -9.860  -32.708 1.00 12.40 ? 61  GLY   B O   1 
ATOM   467  N N   . ALA   A 1 56  ? -23.830 -7.901  -32.817 1.00 12.97 ? 62  ALA   B N   1 
ATOM   468  C CA  . ALA   A 1 56  ? -23.351 -8.085  -34.202 1.00 14.95 ? 62  ALA   B CA  1 
ATOM   469  C C   . ALA   A 1 56  ? -22.220 -9.122  -34.219 1.00 15.22 ? 62  ALA   B C   1 
ATOM   470  O O   . ALA   A 1 56  ? -22.054 -9.826  -35.262 1.00 18.27 ? 62  ALA   B O   1 
ATOM   471  C CB  . ALA   A 1 56  ? -22.890 -6.741  -34.676 1.00 16.59 ? 62  ALA   B CB  1 
ATOM   472  N N   . GLN   A 1 57  ? -21.481 -9.222  -33.125 1.00 14.62 ? 63  GLN   B N   1 
ATOM   473  C CA  . GLN   A 1 57  ? -20.275 -10.095 -33.121 1.00 14.41 ? 63  GLN   B CA  1 
ATOM   474  C C   . GLN   A 1 57  ? -20.715 -11.567 -33.152 1.00 15.93 ? 63  GLN   B C   1 
ATOM   475  O O   . GLN   A 1 57  ? -21.719 -11.960 -32.495 1.00 16.02 ? 63  GLN   B O   1 
ATOM   476  C CB  . GLN   A 1 57  ? -19.426 -9.766  -31.887 1.00 16.50 ? 63  GLN   B CB  1 
ATOM   477  C CG  . GLN   A 1 57  ? -18.740 -8.418  -31.939 1.00 18.34 ? 63  GLN   B CG  1 
ATOM   478  C CD  . GLN   A 1 57  ? -19.697 -7.240  -31.852 1.00 18.89 ? 63  GLN   B CD  1 
ATOM   479  O OE1 . GLN   A 1 57  ? -20.649 -7.266  -31.095 1.00 17.12 ? 63  GLN   B OE1 1 
ATOM   480  N NE2 . GLN   A 1 57  ? -19.453 -6.163  -32.560 1.00 21.19 ? 63  GLN   B NE2 1 
ATOM   481  N N   . ARG   A 1 58  ? -19.960 -12.415 -33.853 1.00 15.79 ? 64  ARG   B N   1 
ATOM   482  C CA  . ARG   A 1 58  ? -20.125 -13.882 -33.852 1.00 15.72 ? 64  ARG   B CA  1 
ATOM   483  C C   . ARG   A 1 58  ? -18.847 -14.511 -33.308 1.00 14.75 ? 64  ARG   B C   1 
ATOM   484  O O   . ARG   A 1 58  ? -17.742 -14.072 -33.669 1.00 17.56 ? 64  ARG   B O   1 
ATOM   485  C CB  . ARG   A 1 58  ? -20.295 -14.440 -35.278 1.00 20.15 ? 64  ARG   B CB  1 
ATOM   486  C CG  . ARG   A 1 58  ? -21.653 -14.236 -35.954 1.00 28.63 ? 64  ARG   B CG  1 
ATOM   487  C CD  . ARG   A 1 58  ? -22.185 -12.840 -35.770 1.00 30.67 ? 64  ARG   B CD  1 
ATOM   488  N NE  . ARG   A 1 58  ? -23.047 -12.084 -36.683 1.00 33.97 ? 64  ARG   B NE  1 
ATOM   489  C CZ  . ARG   A 1 58  ? -23.720 -12.518 -37.736 1.00 34.34 ? 64  ARG   B CZ  1 
ATOM   490  N NH1 . ARG   A 1 58  ? -24.447 -11.644 -38.420 1.00 35.63 ? 64  ARG   B NH1 1 
ATOM   491  N NH2 . ARG   A 1 58  ? -23.673 -13.776 -38.122 1.00 33.40 ? 64  ARG   B NH2 1 
ATOM   492  N N   . PHE   A 1 59  ? -19.000 -15.471 -32.426 1.00 13.63 ? 65  PHE   B N   1 
ATOM   493  C CA  . PHE   A 1 59  ? -17.840 -16.132 -31.764 1.00 13.69 ? 65  PHE   B CA  1 
ATOM   494  C C   . PHE   A 1 59  ? -17.895 -17.630 -32.044 1.00 12.89 ? 65  PHE   B C   1 
ATOM   495  O O   . PHE   A 1 59  ? -18.914 -18.289 -31.822 1.00 12.29 ? 65  PHE   B O   1 
ATOM   496  C CB  . PHE   A 1 59  ? -17.921 -15.877 -30.235 1.00 15.59 ? 65  PHE   B CB  1 
ATOM   497  C CG  . PHE   A 1 59  ? -17.912 -14.409 -29.852 1.00 17.58 ? 65  PHE   B CG  1 
ATOM   498  C CD1 . PHE   A 1 59  ? -16.890 -13.598 -30.321 1.00 20.09 ? 65  PHE   B CD1 1 
ATOM   499  C CD2 . PHE   A 1 59  ? -18.921 -13.836 -29.126 1.00 24.95 ? 65  PHE   B CD2 1 
ATOM   500  C CE1 . PHE   A 1 59  ? -16.833 -12.240 -30.035 1.00 23.21 ? 65  PHE   B CE1 1 
ATOM   501  C CE2 . PHE   A 1 59  ? -18.846 -12.483 -28.803 1.00 20.86 ? 65  PHE   B CE2 1 
ATOM   502  C CZ  . PHE   A 1 59  ? -17.845 -11.696 -29.307 1.00 20.98 ? 65  PHE   B CZ  1 
ATOM   503  N N   A SER   A 1 60  ? -16.776 -18.193 -32.521 0.25 13.00 ? 66  SER   B N   1 
ATOM   504  N N   B SER   A 1 60  ? -16.780 -18.200 -32.522 0.25 13.24 ? 66  SER   B N   1 
ATOM   505  C CA  A SER   A 1 60  ? -16.671 -19.640 -32.839 0.25 13.70 ? 66  SER   B CA  1 
ATOM   506  C CA  B SER   A 1 60  ? -16.653 -19.655 -32.805 0.25 14.16 ? 66  SER   B CA  1 
ATOM   507  C C   A SER   A 1 60  ? -15.445 -20.275 -32.163 0.25 13.41 ? 66  SER   B C   1 
ATOM   508  C C   B SER   A 1 60  ? -15.377 -20.223 -32.188 0.25 14.41 ? 66  SER   B C   1 
ATOM   509  O O   A SER   A 1 60  ? -15.294 -21.516 -32.282 0.25 13.46 ? 66  SER   B O   1 
ATOM   510  O O   B SER   A 1 60  ? -14.966 -21.318 -32.598 0.25 14.48 ? 66  SER   B O   1 
ATOM   511  C CB  A SER   A 1 60  ? -16.706 -19.858 -34.342 0.25 14.13 ? 66  SER   B CB  1 
ATOM   512  C CB  B SER   A 1 60  ? -16.637 -19.911 -34.275 0.25 14.27 ? 66  SER   B CB  1 
ATOM   513  O OG  A SER   A 1 60  ? -18.056 -19.730 -34.818 0.25 15.17 ? 66  SER   B OG  1 
ATOM   514  O OG  B SER   A 1 60  ? -15.589 -19.174 -34.850 0.25 14.88 ? 66  SER   B OG  1 
ATOM   515  N N   A SER   A 1 61  ? -14.676 -19.488 -31.395 0.25 13.10 ? 67  SER   B N   1 
ATOM   516  N N   B SER   A 1 61  ? -14.767 -19.507 -31.248 0.25 14.96 ? 67  SER   B N   1 
ATOM   517  C CA  A SER   A 1 61  ? -13.478 -19.944 -30.647 0.25 13.78 ? 67  SER   B CA  1 
ATOM   518  C CA  B SER   A 1 61  ? -13.490 -19.921 -30.634 0.25 16.41 ? 67  SER   B CA  1 
ATOM   519  C C   A SER   A 1 61  ? -13.184 -18.967 -29.508 0.25 14.37 ? 67  SER   B C   1 
ATOM   520  C C   B SER   A 1 61  ? -13.082 -18.900 -29.579 0.25 15.89 ? 67  SER   B C   1 
ATOM   521  O O   A SER   A 1 61  ? -13.815 -17.910 -29.478 0.25 13.91 ? 67  SER   B O   1 
ATOM   522  O O   B SER   A 1 61  ? -13.504 -17.729 -29.702 0.25 14.77 ? 67  SER   B O   1 
ATOM   523  C CB  A SER   A 1 61  ? -12.284 -20.055 -31.581 0.25 13.56 ? 67  SER   B CB  1 
ATOM   524  C CB  B SER   A 1 61  ? -12.439 -20.052 -31.711 0.25 17.86 ? 67  SER   B CB  1 
ATOM   525  O OG  A SER   A 1 61  ? -11.885 -18.776 -32.046 0.25 13.28 ? 67  SER   B OG  1 
ATOM   526  O OG  B SER   A 1 61  ? -11.193 -20.402 -31.141 0.25 21.62 ? 67  SER   B OG  1 
ATOM   527  N N   . GLY   A 1 62  ? -12.246 -19.310 -28.624 1.00 16.26 ? 68  GLY   B N   1 
ATOM   528  C CA  . GLY   A 1 62  ? -11.639 -18.330 -27.708 1.00 17.18 ? 68  GLY   B CA  1 
ATOM   529  C C   . GLY   A 1 62  ? -12.461 -18.075 -26.458 1.00 13.79 ? 68  GLY   B C   1 
ATOM   530  O O   . GLY   A 1 62  ? -13.488 -18.742 -26.201 1.00 15.32 ? 68  GLY   B O   1 
ATOM   531  N N   . LYS   A 1 63  ? -11.977 -17.085 -25.751 1.00 14.44 ? 69  LYS   B N   1 
ATOM   532  C CA  . LYS   A 1 63  ? -12.538 -16.628 -24.490 1.00 14.01 ? 69  LYS   B CA  1 
ATOM   533  C C   . LYS   A 1 63  ? -12.965 -15.183 -24.706 1.00 13.81 ? 69  LYS   B C   1 
ATOM   534  O O   . LYS   A 1 63  ? -12.172 -14.356 -25.198 1.00 15.86 ? 69  LYS   B O   1 
ATOM   535  C CB  . LYS   A 1 63  ? -11.503 -16.773 -23.378 1.00 16.31 ? 69  LYS   B CB  1 
ATOM   536  C CG  . LYS   A 1 63  ? -11.128 -18.208 -23.018 1.00 17.08 ? 69  LYS   B CG  1 
ATOM   537  C CD  . LYS   A 1 63  ? -9.993  -18.293 -21.954 1.00 19.74 ? 69  LYS   B CD  1 
ATOM   538  C CE  . LYS   A 1 63  ? -9.620  -19.720 -21.632 1.00 23.19 ? 69  LYS   B CE  1 
ATOM   539  N NZ  . LYS   A 1 63  ? -8.554  -19.734 -20.603 1.00 25.79 ? 69  LYS   B NZ  1 
ATOM   540  N N   . MET   A 1 64  ? -14.191 -14.846 -24.291 1.00 13.14 ? 70  MET   B N   1 
ATOM   541  C CA  . MET   A 1 64  ? -14.817 -13.523 -24.501 1.00 13.02 ? 70  MET   B CA  1 
ATOM   542  C C   . MET   A 1 64  ? -15.474 -13.071 -23.200 1.00 11.92 ? 70  MET   B C   1 
ATOM   543  O O   . MET   A 1 64  ? -16.053 -13.905 -22.516 1.00 13.30 ? 70  MET   B O   1 
ATOM   544  C CB  . MET   A 1 64  ? -15.937 -13.616 -25.522 1.00 13.59 ? 70  MET   B CB  1 
ATOM   545  C CG  . MET   A 1 64  ? -15.527 -13.778 -26.983 1.00 14.61 ? 70  MET   B CG  1 
ATOM   546  S SD  . MET   A 1 64  ? -14.741 -15.336 -27.486 1.00 16.20 ? 70  MET   B SD  1 
ATOM   547  C CE  . MET   A 1 64  ? -15.955 -16.562 -27.062 1.00 16.35 ? 70  MET   B CE  1 
ATOM   548  N N   . TYR   A 1 65  ? -15.446 -11.792 -22.902 1.00 12.45 ? 71  TYR   B N   1 
ATOM   549  C CA  . TYR   A 1 65  ? -16.034 -11.219 -21.672 1.00 12.49 ? 71  TYR   B CA  1 
ATOM   550  C C   . TYR   A 1 65  ? -16.647 -9.875  -22.024 1.00 13.21 ? 71  TYR   B C   1 
ATOM   551  O O   . TYR   A 1 65  ? -16.008 -9.047  -22.738 1.00 13.90 ? 71  TYR   B O   1 
ATOM   552  C CB  . TYR   A 1 65  ? -14.984 -11.047 -20.570 1.00 14.22 ? 71  TYR   B CB  1 
ATOM   553  C CG  . TYR   A 1 65  ? -15.503 -10.434 -19.299 1.00 13.73 ? 71  TYR   B CG  1 
ATOM   554  C CD1 . TYR   A 1 65  ? -16.233 -11.192 -18.401 1.00 13.10 ? 71  TYR   B CD1 1 
ATOM   555  C CD2 . TYR   A 1 65  ? -15.338 -9.074  -19.040 1.00 14.70 ? 71  TYR   B CD2 1 
ATOM   556  C CE1 . TYR   A 1 65  ? -16.733 -10.634 -17.221 1.00 14.37 ? 71  TYR   B CE1 1 
ATOM   557  C CE2 . TYR   A 1 65  ? -15.850 -8.510  -17.879 1.00 13.87 ? 71  TYR   B CE2 1 
ATOM   558  C CZ  . TYR   A 1 65  ? -16.530 -9.279  -16.971 1.00 13.90 ? 71  TYR   B CZ  1 
ATOM   559  O OH  . TYR   A 1 65  ? -17.057 -8.718  -15.830 1.00 15.99 ? 71  TYR   B OH  1 
ATOM   560  N N   . TRP   A 1 66  ? -17.864 -9.637  -21.560 1.00 11.20 ? 72  TRP   B N   1 
ATOM   561  C CA  . TRP   A 1 66  ? -18.443 -8.271  -21.642 1.00 11.88 ? 72  TRP   B CA  1 
ATOM   562  C C   . TRP   A 1 66  ? -19.336 -7.988  -20.428 1.00 12.65 ? 72  TRP   B C   1 
ATOM   563  O O   . TRP   A 1 66  ? -19.681 -8.931  -19.699 1.00 12.84 ? 72  TRP   B O   1 
ATOM   564  C CB  . TRP   A 1 66  ? -19.178 -8.060  -22.988 1.00 11.49 ? 72  TRP   B CB  1 
ATOM   565  C CG  . TRP   A 1 66  ? -20.345 -8.940  -23.260 1.00 11.13 ? 72  TRP   B CG  1 
ATOM   566  C CD1 . TRP   A 1 66  ? -21.682 -8.639  -23.052 1.00 11.14 ? 72  TRP   B CD1 1 
ATOM   567  C CD2 . TRP   A 1 66  ? -20.356 -10.265 -23.782 1.00 12.17 ? 72  TRP   B CD2 1 
ATOM   568  N NE1 . TRP   A 1 66  ? -22.486 -9.682  -23.439 1.00 11.87 ? 72  TRP   B NE1 1 
ATOM   569  C CE2 . TRP   A 1 66  ? -21.694 -10.696 -23.891 1.00 12.37 ? 72  TRP   B CE2 1 
ATOM   570  C CE3 . TRP   A 1 66  ? -19.335 -11.124 -24.198 1.00 14.00 ? 72  TRP   B CE3 1 
ATOM   571  C CZ2 . TRP   A 1 66  ? -22.051 -11.933 -24.408 1.00 12.80 ? 72  TRP   B CZ2 1 
ATOM   572  C CZ3 . TRP   A 1 66  ? -19.680 -12.356 -24.710 1.00 15.77 ? 72  TRP   B CZ3 1 
ATOM   573  C CH2 . TRP   A 1 66  ? -21.009 -12.770 -24.775 1.00 14.44 ? 72  TRP   B CH2 1 
ATOM   574  N N   . GLU   A 1 67  ? -19.753 -6.733  -20.278 1.00 11.94 ? 73  GLU   B N   1 
ATOM   575  C CA  . GLU   A 1 67  ? -20.579 -6.288  -19.118 1.00 11.74 ? 73  GLU   B CA  1 
ATOM   576  C C   . GLU   A 1 67  ? -21.802 -5.529  -19.601 1.00 11.70 ? 73  GLU   B C   1 
ATOM   577  O O   . GLU   A 1 67  ? -21.712 -4.804  -20.597 1.00 12.12 ? 73  GLU   B O   1 
ATOM   578  C CB  . GLU   A 1 67  ? -19.768 -5.431  -18.150 1.00 13.58 ? 73  GLU   B CB  1 
ATOM   579  C CG  . GLU   A 1 67  ? -18.666 -6.262  -17.468 1.00 16.35 ? 73  GLU   B CG  1 
ATOM   580  C CD  . GLU   A 1 67  ? -17.808 -5.511  -16.470 1.00 20.22 ? 73  GLU   B CD  1 
ATOM   581  O OE1 . GLU   A 1 67  ? -17.987 -4.250  -16.411 1.00 24.97 ? 73  GLU   B OE1 1 
ATOM   582  O OE2 . GLU   A 1 67  ? -16.979 -6.187  -15.741 1.00 18.33 ? 73  GLU   B OE2 1 
ATOM   583  N N   . VAL   A 1 68  ? -22.911 -5.735  -18.913 1.00 11.93 ? 74  VAL   B N   1 
ATOM   584  C CA  . VAL   A 1 68  ? -24.179 -5.089  -19.251 1.00 10.96 ? 74  VAL   B CA  1 
ATOM   585  C C   . VAL   A 1 68  ? -24.756 -4.419  -18.004 1.00 10.64 ? 74  VAL   B C   1 
ATOM   586  O O   . VAL   A 1 68  ? -24.858 -5.051  -16.945 1.00 11.83 ? 74  VAL   B O   1 
ATOM   587  C CB  . VAL   A 1 68  ? -25.185 -6.103  -19.806 1.00 11.21 ? 74  VAL   B CB  1 
ATOM   588  C CG1 . VAL   A 1 68  ? -26.440 -5.380  -20.254 1.00 12.74 ? 74  VAL   B CG1 1 
ATOM   589  C CG2 . VAL   A 1 68  ? -24.573 -6.959  -20.917 1.00 12.04 ? 74  VAL   B CG2 1 
ATOM   590  N N   . ASP   A 1 69  ? -25.192 -3.158  -18.163 1.00 11.52 ? 75  ASP   B N   1 
ATOM   591  C CA  . ASP   A 1 69  ? -25.860 -2.366  -17.102 1.00 13.12 ? 75  ASP   B CA  1 
ATOM   592  C C   . ASP   A 1 69  ? -27.355 -2.641  -17.139 1.00 11.32 ? 75  ASP   B C   1 
ATOM   593  O O   . ASP   A 1 69  ? -27.973 -2.537  -18.248 1.00 11.48 ? 75  ASP   B O   1 
ATOM   594  C CB  . ASP   A 1 69  ? -25.571 -0.866  -17.282 1.00 14.85 ? 75  ASP   B CB  1 
ATOM   595  C CG  . ASP   A 1 69  ? -25.957 -0.043  -16.045 1.00 17.52 ? 75  ASP   B CG  1 
ATOM   596  O OD1 . ASP   A 1 69  ? -27.109 -0.037  -15.680 1.00 16.88 ? 75  ASP   B OD1 1 
ATOM   597  O OD2 . ASP   A 1 69  ? -25.046 0.408   -15.332 1.00 22.43 ? 75  ASP   B OD2 1 
ATOM   598  N N   . VAL   A 1 70  ? -27.920 -3.070  -16.013 1.00 11.74 ? 76  VAL   B N   1 
ATOM   599  C CA  . VAL   A 1 70  ? -29.356 -3.403  -15.845 1.00 12.20 ? 76  VAL   B CA  1 
ATOM   600  C C   . VAL   A 1 70  ? -30.040 -2.503  -14.796 1.00 13.27 ? 76  VAL   B C   1 
ATOM   601  O O   . VAL   A 1 70  ? -31.130 -2.839  -14.299 1.00 13.34 ? 76  VAL   B O   1 
ATOM   602  C CB  . VAL   A 1 70  ? -29.522 -4.906  -15.515 1.00 12.54 ? 76  VAL   B CB  1 
ATOM   603  C CG1 . VAL   A 1 70  ? -28.937 -5.824  -16.627 1.00 11.88 ? 76  VAL   B CG1 1 
ATOM   604  C CG2 . VAL   A 1 70  ? -28.918 -5.269  -14.176 1.00 12.29 ? 76  VAL   B CG2 1 
ATOM   605  N N   . THR   A 1 71  ? -29.401 -1.383  -14.455 1.00 13.59 ? 77  THR   B N   1 
ATOM   606  C CA  . THR   A 1 71  ? -29.898 -0.469  -13.406 1.00 15.12 ? 77  THR   B CA  1 
ATOM   607  C C   . THR   A 1 71  ? -31.389 -0.154  -13.625 1.00 14.53 ? 77  THR   B C   1 
ATOM   608  O O   . THR   A 1 71  ? -31.799 0.198   -14.740 1.00 14.40 ? 77  THR   B O   1 
ATOM   609  C CB  . THR   A 1 71  ? -29.094 0.828   -13.410 1.00 15.15 ? 77  THR   B CB  1 
ATOM   610  O OG1 . THR   A 1 71  ? -27.709 0.567   -13.119 1.00 18.25 ? 77  THR   B OG1 1 
ATOM   611  C CG2 . THR   A 1 71  ? -29.674 1.771   -12.376 1.00 18.86 ? 77  THR   B CG2 1 
ATOM   612  N N   . GLN   A 1 72  ? -32.123 -0.285  -12.522 1.00 17.94 ? 78  GLN   B N   1 
ATOM   613  C CA  . GLN   A 1 72  ? -33.552 0.051   -12.298 1.00 20.49 ? 78  GLN   B CA  1 
ATOM   614  C C   . GLN   A 1 72  ? -34.499 -0.765  -13.174 1.00 21.45 ? 78  GLN   B C   1 
ATOM   615  O O   . GLN   A 1 72  ? -35.711 -0.560  -13.057 1.00 23.21 ? 78  GLN   B O   1 
ATOM   616  C CB  . GLN   A 1 72  ? -33.781 1.558   -12.415 1.00 28.35 ? 78  GLN   B CB  1 
ATOM   617  C CG  . GLN   A 1 72  ? -33.632 2.124   -13.814 1.00 35.02 ? 78  GLN   B CG  1 
ATOM   618  C CD  . GLN   A 1 72  ? -34.602 3.253   -14.094 1.00 41.46 ? 78  GLN   B CD  1 
ATOM   619  O OE1 . GLN   A 1 72  ? -34.219 4.315   -14.593 1.00 44.47 ? 78  GLN   B OE1 1 
ATOM   620  N NE2 . GLN   A 1 72  ? -35.886 2.987   -13.871 1.00 45.42 ? 78  GLN   B NE2 1 
ATOM   621  N N   . LYS   A 1 73  ? -34.066 -1.798  -13.883 1.00 14.64 ? 79  LYS   B N   1 
ATOM   622  C CA  . LYS   A 1 73  ? -35.034 -2.651  -14.592 1.00 13.67 ? 79  LYS   B CA  1 
ATOM   623  C C   . LYS   A 1 73  ? -35.721 -3.684  -13.694 1.00 12.68 ? 79  LYS   B C   1 
ATOM   624  O O   . LYS   A 1 73  ? -35.093 -4.207  -12.700 1.00 15.06 ? 79  LYS   B O   1 
ATOM   625  C CB  . LYS   A 1 73  ? -34.289 -3.342  -15.734 1.00 13.17 ? 79  LYS   B CB  1 
ATOM   626  C CG  . LYS   A 1 73  ? -33.870 -2.372  -16.867 1.00 13.86 ? 79  LYS   B CG  1 
ATOM   627  C CD  . LYS   A 1 73  ? -33.385 -3.015  -18.128 1.00 14.26 ? 79  LYS   B CD  1 
ATOM   628  C CE  . LYS   A 1 73  ? -34.454 -3.766  -18.870 1.00 12.67 ? 79  LYS   B CE  1 
ATOM   629  N NZ  . LYS   A 1 73  ? -35.629 -2.902  -19.194 1.00 11.49 ? 79  LYS   B NZ  1 
ATOM   630  N N   . GLU   A 1 74  ? -36.967 -3.984  -14.005 1.00 11.02 ? 80  GLU   B N   1 
ATOM   631  C CA  . GLU   A 1 74  ? -37.766 -5.006  -13.317 1.00 11.52 ? 80  GLU   B CA  1 
ATOM   632  C C   . GLU   A 1 74  ? -37.675 -6.373  -13.993 1.00 10.39 ? 80  GLU   B C   1 
ATOM   633  O O   . GLU   A 1 74  ? -38.050 -7.391  -13.412 1.00 11.64 ? 80  GLU   B O   1 
ATOM   634  C CB  . GLU   A 1 74  ? -39.253 -4.601  -13.294 1.00 12.57 ? 80  GLU   B CB  1 
ATOM   635  C CG  . GLU   A 1 74  ? -39.525 -3.322  -12.521 1.00 13.91 ? 80  GLU   B CG  1 
ATOM   636  C CD  . GLU   A 1 74  ? -40.991 -2.902  -12.604 1.00 14.36 ? 80  GLU   B CD  1 
ATOM   637  O OE1 . GLU   A 1 74  ? -41.396 -2.080  -11.781 1.00 17.06 ? 80  GLU   B OE1 1 
ATOM   638  O OE2 . GLU   A 1 74  ? -41.714 -3.440  -13.484 1.00 16.12 ? 80  GLU   B OE2 1 
ATOM   639  N N   . ALA   A 1 75  ? -37.333 -6.400  -15.284 1.00 10.60 ? 81  ALA   B N   1 
ATOM   640  C CA  . ALA   A 1 75  ? -37.359 -7.652  -16.060 1.00 10.59 ? 81  ALA   B CA  1 
ATOM   641  C C   . ALA   A 1 75  ? -36.384 -7.548  -17.221 1.00 11.56 ? 81  ALA   B C   1 
ATOM   642  O O   . ALA   A 1 75  ? -36.327 -6.491  -17.888 1.00 11.04 ? 81  ALA   B O   1 
ATOM   643  C CB  . ALA   A 1 75  ? -38.738 -7.966  -16.583 1.00 11.01 ? 81  ALA   B CB  1 
ATOM   644  N N   . TRP   A 1 76  ? -35.646 -8.632  -17.472 1.00 10.57 ? 82  TRP   B N   1 
ATOM   645  C CA  . TRP   A 1 76  ? -34.655 -8.696  -18.590 1.00 10.25 ? 82  TRP   B CA  1 
ATOM   646  C C   . TRP   A 1 76  ? -34.147 -10.119 -18.695 1.00 10.65 ? 82  TRP   B C   1 
ATOM   647  O O   . TRP   A 1 76  ? -34.254 -10.872 -17.725 1.00 11.30 ? 82  TRP   B O   1 
ATOM   648  C CB  . TRP   A 1 76  ? -33.478 -7.718  -18.399 1.00 11.26 ? 82  TRP   B CB  1 
ATOM   649  C CG  . TRP   A 1 76  ? -32.817 -7.758  -17.064 1.00 10.90 ? 82  TRP   B CG  1 
ATOM   650  C CD1 . TRP   A 1 76  ? -33.019 -6.904  -16.033 1.00 12.17 ? 82  TRP   B CD1 1 
ATOM   651  C CD2 . TRP   A 1 76  ? -31.835 -8.696  -16.552 1.00 10.69 ? 82  TRP   B CD2 1 
ATOM   652  N NE1 . TRP   A 1 76  ? -32.263 -7.206  -14.954 1.00 11.69 ? 82  TRP   B NE1 1 
ATOM   653  C CE2 . TRP   A 1 76  ? -31.550 -8.357  -15.219 1.00 11.86 ? 82  TRP   B CE2 1 
ATOM   654  C CE3 . TRP   A 1 76  ? -31.207 -9.855  -17.074 1.00 11.51 ? 82  TRP   B CE3 1 
ATOM   655  C CZ2 . TRP   A 1 76  ? -30.606 -9.002  -14.430 1.00 11.88 ? 82  TRP   B CZ2 1 
ATOM   656  C CZ3 . TRP   A 1 76  ? -30.304 -10.534 -16.283 1.00 11.78 ? 82  TRP   B CZ3 1 
ATOM   657  C CH2 . TRP   A 1 76  ? -30.022 -10.123 -14.972 1.00 12.75 ? 82  TRP   B CH2 1 
ATOM   658  N N   . ASP   A 1 77  ? -33.623 -10.458 -19.865 1.00 10.22 ? 83  ASP   B N   1 
ATOM   659  C CA  . ASP   A 1 77  ? -32.866 -11.718 -20.074 1.00 10.84 ? 83  ASP   B CA  1 
ATOM   660  C C   . ASP   A 1 77  ? -31.505 -11.325 -20.668 1.00 10.61 ? 83  ASP   B C   1 
ATOM   661  O O   . ASP   A 1 77  ? -31.489 -10.437 -21.555 1.00 10.32 ? 83  ASP   B O   1 
ATOM   662  C CB  . ASP   A 1 77  ? -33.552 -12.702 -21.017 1.00 12.48 ? 83  ASP   B CB  1 
ATOM   663  C CG  . ASP   A 1 77  ? -35.039 -12.923 -20.871 1.00 14.80 ? 83  ASP   B CG  1 
ATOM   664  O OD1 . ASP   A 1 77  ? -35.482 -12.898 -19.757 1.00 18.70 ? 83  ASP   B OD1 1 
ATOM   665  O OD2 . ASP   A 1 77  ? -35.719 -13.081 -21.929 1.00 17.43 ? 83  ASP   B OD2 1 
ATOM   666  N N   . LEU   A 1 78  ? -30.428 -12.007 -20.313 1.00 9.41  ? 84  LEU   B N   1 
ATOM   667  C CA  . LEU   A 1 78  ? -29.075 -11.775 -20.859 1.00 9.31  ? 84  LEU   B CA  1 
ATOM   668  C C   . LEU   A 1 78  ? -28.352 -13.098 -21.033 1.00 9.26  ? 84  LEU   B C   1 
ATOM   669  O O   . LEU   A 1 78  ? -28.480 -14.006 -20.213 1.00 9.41  ? 84  LEU   B O   1 
ATOM   670  C CB  . LEU   A 1 78  ? -28.263 -10.920 -19.895 1.00 10.35 ? 84  LEU   B CB  1 
ATOM   671  C CG  . LEU   A 1 78  ? -28.610 -9.446  -19.766 1.00 11.83 ? 84  LEU   B CG  1 
ATOM   672  C CD1 . LEU   A 1 78  ? -27.768 -8.831  -18.644 1.00 13.12 ? 84  LEU   B CD1 1 
ATOM   673  C CD2 . LEU   A 1 78  ? -28.415 -8.745  -21.076 1.00 11.88 ? 84  LEU   B CD2 1 
ATOM   674  N N   . GLY   A 1 79  ? -27.524 -13.139 -22.074 1.00 8.33  ? 85  GLY   B N   1 
ATOM   675  C CA  . GLY   A 1 79  ? -26.543 -14.237 -22.195 1.00 9.07  ? 85  GLY   B CA  1 
ATOM   676  C C   . GLY   A 1 79  ? -26.010 -14.308 -23.607 1.00 8.34  ? 85  GLY   B C   1 
ATOM   677  O O   . GLY   A 1 79  ? -25.624 -13.288 -24.173 1.00 8.88  ? 85  GLY   B O   1 
ATOM   678  N N   A VAL   A 1 80  ? -25.919 -15.540 -24.114 0.25 8.82  ? 86  VAL   B N   1 
ATOM   679  N N   B VAL   A 1 80  ? -26.008 -15.512 -24.155 0.25 9.18  ? 86  VAL   B N   1 
ATOM   680  C CA  A VAL   A 1 80  ? -25.542 -15.834 -25.524 0.25 8.97  ? 86  VAL   B CA  1 
ATOM   681  C CA  B VAL   A 1 80  ? -25.450 -15.776 -25.505 0.25 9.51  ? 86  VAL   B CA  1 
ATOM   682  C C   A VAL   A 1 80  ? -26.543 -16.800 -26.137 0.25 9.29  ? 86  VAL   B C   1 
ATOM   683  C C   B VAL   A 1 80  ? -26.336 -16.865 -26.131 0.25 9.63  ? 86  VAL   B C   1 
ATOM   684  O O   A VAL   A 1 80  ? -27.291 -17.515 -25.439 0.25 9.58  ? 86  VAL   B O   1 
ATOM   685  O O   B VAL   A 1 80  ? -26.888 -17.683 -25.391 0.25 10.07 ? 86  VAL   B O   1 
ATOM   686  C CB  A VAL   A 1 80  ? -24.138 -16.446 -25.664 0.25 9.32  ? 86  VAL   B CB  1 
ATOM   687  C CB  B VAL   A 1 80  ? -23.959 -16.147 -25.353 0.25 10.42 ? 86  VAL   B CB  1 
ATOM   688  C CG1 A VAL   A 1 80  ? -23.091 -15.433 -25.269 0.25 9.28  ? 86  VAL   B CG1 1 
ATOM   689  C CG1 B VAL   A 1 80  ? -23.769 -17.483 -24.645 0.25 10.47 ? 86  VAL   B CG1 1 
ATOM   690  C CG2 A VAL   A 1 80  ? -23.973 -17.739 -24.880 0.25 9.42  ? 86  VAL   B CG2 1 
ATOM   691  C CG2 B VAL   A 1 80  ? -23.205 -16.109 -26.671 0.25 11.07 ? 86  VAL   B CG2 1 
ATOM   692  N N   . CYS   A 1 81  ? -26.511 -16.857 -27.455 1.00 9.55  ? 87  CYS   B N   1 
ATOM   693  C CA  . CYS   A 1 81  ? -27.321 -17.845 -28.152 1.00 10.64 ? 87  CYS   B CA  1 
ATOM   694  C C   . CYS   A 1 81  ? -26.654 -18.249 -29.467 1.00 10.26 ? 87  CYS   B C   1 
ATOM   695  O O   . CYS   A 1 81  ? -25.759 -17.526 -29.984 1.00 10.64 ? 87  CYS   B O   1 
ATOM   696  C CB  . CYS   A 1 81  ? -28.723 -17.323 -28.444 1.00 11.88 ? 87  CYS   B CB  1 
ATOM   697  S SG  . CYS   A 1 81  ? -28.808 -15.902 -29.570 1.00 12.37 ? 87  CYS   B SG  1 
ATOM   698  N N   A ARG   A 1 82  ? -27.087 -19.375 -29.993 0.25 10.69 ? 88  ARG   B N   1 
ATOM   699  N N   B ARG   A 1 82  ? -27.071 -19.393 -29.990 0.25 10.09 ? 88  ARG   B N   1 
ATOM   700  C CA  A ARG   A 1 82  ? -26.666 -19.771 -31.356 0.25 11.38 ? 88  ARG   B CA  1 
ATOM   701  C CA  B ARG   A 1 82  ? -26.632 -19.858 -31.337 0.25 10.32 ? 88  ARG   B CA  1 
ATOM   702  C C   A ARG   A 1 82  ? -27.092 -18.720 -32.375 0.25 11.17 ? 88  ARG   B C   1 
ATOM   703  C C   B ARG   A 1 82  ? -27.139 -18.880 -32.416 0.25 10.62 ? 88  ARG   B C   1 
ATOM   704  O O   A ARG   A 1 82  ? -28.142 -18.087 -32.241 0.25 10.85 ? 88  ARG   B O   1 
ATOM   705  O O   B ARG   A 1 82  ? -28.317 -18.454 -32.352 0.25 10.23 ? 88  ARG   B O   1 
ATOM   706  C CB  A ARG   A 1 82  ? -27.312 -21.089 -31.754 0.25 12.42 ? 88  ARG   B CB  1 
ATOM   707  C CB  B ARG   A 1 82  ? -27.152 -21.282 -31.583 0.25 10.50 ? 88  ARG   B CB  1 
ATOM   708  C CG  A ARG   A 1 82  ? -26.835 -22.222 -30.875 0.25 13.67 ? 88  ARG   B CG  1 
ATOM   709  C CG  B ARG   A 1 82  ? -26.455 -22.016 -32.722 0.25 10.58 ? 88  ARG   B CG  1 
ATOM   710  C CD  A ARG   A 1 82  ? -27.381 -23.544 -31.343 0.25 14.84 ? 88  ARG   B CD  1 
ATOM   711  C CD  B ARG   A 1 82  ? -27.015 -23.395 -33.007 0.25 10.63 ? 88  ARG   B CD  1 
ATOM   712  N NE  A ARG   A 1 82  ? -27.059 -24.594 -30.389 0.25 14.41 ? 88  ARG   B NE  1 
ATOM   713  N NE  B ARG   A 1 82  ? -26.878 -24.225 -31.827 0.25 10.55 ? 88  ARG   B NE  1 
ATOM   714  C CZ  A ARG   A 1 82  ? -27.899 -25.546 -30.040 0.25 15.21 ? 88  ARG   B CZ  1 
ATOM   715  C CZ  B ARG   A 1 82  ? -27.893 -24.807 -31.179 0.25 10.63 ? 88  ARG   B CZ  1 
ATOM   716  N NH1 A ARG   A 1 82  ? -29.118 -25.560 -30.545 0.25 15.34 ? 88  ARG   B NH1 1 
ATOM   717  N NH1 B ARG   A 1 82  ? -29.120 -24.715 -31.634 0.25 11.92 ? 88  ARG   B NH1 1 
ATOM   718  N NH2 A ARG   A 1 82  ? -27.512 -26.473 -29.188 0.25 16.87 ? 88  ARG   B NH2 1 
ATOM   719  N NH2 B ARG   A 1 82  ? -27.665 -25.480 -30.067 0.25 10.63 ? 88  ARG   B NH2 1 
ATOM   720  N N   . ASP   A 1 83  ? -26.298 -18.584 -33.423 1.00 11.97 ? 89  ASP   B N   1 
ATOM   721  C CA  . ASP   A 1 83  ? -26.679 -17.669 -34.522 1.00 13.46 ? 89  ASP   B CA  1 
ATOM   722  C C   . ASP   A 1 83  ? -27.988 -18.167 -35.139 1.00 14.93 ? 89  ASP   B C   1 
ATOM   723  O O   . ASP   A 1 83  ? -28.760 -17.312 -35.657 1.00 17.45 ? 89  ASP   B O   1 
ATOM   724  C CB  . ASP   A 1 83  ? -25.550 -17.585 -35.548 1.00 15.88 ? 89  ASP   B CB  1 
ATOM   725  C CG  . ASP   A 1 83  ? -25.185 -18.866 -36.256 1.00 18.78 ? 89  ASP   B CG  1 
ATOM   726  O OD1 . ASP   A 1 83  ? -25.656 -19.978 -35.862 1.00 21.05 ? 89  ASP   B OD1 1 
ATOM   727  O OD2 . ASP   A 1 83  ? -24.392 -18.754 -37.237 1.00 23.55 ? 89  ASP   B OD2 1 
ATOM   728  N N   . SER   A 1 84  ? -28.288 -19.468 -35.128 1.00 12.91 ? 90  SER   B N   1 
ATOM   729  C CA  . SER   A 1 84  ? -29.456 -20.041 -35.836 1.00 15.25 ? 90  SER   B CA  1 
ATOM   730  C C   . SER   A 1 84  ? -30.719 -20.185 -34.969 1.00 13.72 ? 90  SER   B C   1 
ATOM   731  O O   . SER   A 1 84  ? -31.612 -20.929 -35.333 1.00 14.80 ? 90  SER   B O   1 
ATOM   732  C CB  . SER   A 1 84  ? -29.081 -21.368 -36.436 1.00 17.38 ? 90  SER   B CB  1 
ATOM   733  O OG  . SER   A 1 84  ? -28.560 -22.217 -35.483 1.00 18.02 ? 90  SER   B OG  1 
ATOM   734  N N   . VAL   A 1 85  ? -30.779 -19.559 -33.785 1.00 12.68 ? 91  VAL   B N   1 
ATOM   735  C CA  . VAL   A 1 85  ? -32.019 -19.639 -32.988 1.00 13.16 ? 91  VAL   B CA  1 
ATOM   736  C C   . VAL   A 1 85  ? -33.218 -19.152 -33.796 1.00 12.90 ? 91  VAL   B C   1 
ATOM   737  O O   . VAL   A 1 85  ? -33.100 -18.215 -34.610 1.00 13.47 ? 91  VAL   B O   1 
ATOM   738  C CB  . VAL   A 1 85  ? -31.935 -18.899 -31.633 1.00 12.28 ? 91  VAL   B CB  1 
ATOM   739  C CG1 . VAL   A 1 85  ? -30.931 -19.586 -30.722 1.00 12.24 ? 91  VAL   B CG1 1 
ATOM   740  C CG2 . VAL   A 1 85  ? -31.697 -17.414 -31.742 1.00 12.50 ? 91  VAL   B CG2 1 
ATOM   741  N N   . GLN   A 1 86  ? -34.343 -19.777 -33.498 1.00 14.08 ? 92  GLN   B N   1 
ATOM   742  C CA  . GLN   A 1 86  ? -35.686 -19.341 -33.978 1.00 15.20 ? 92  GLN   B CA  1 
ATOM   743  C C   . GLN   A 1 86  ? -35.895 -17.853 -33.676 1.00 14.42 ? 92  GLN   B C   1 
ATOM   744  O O   . GLN   A 1 86  ? -35.626 -17.430 -32.563 1.00 15.71 ? 92  GLN   B O   1 
ATOM   745  C CB  . GLN   A 1 86  ? -36.715 -20.208 -33.243 1.00 17.55 ? 92  GLN   B CB  1 
ATOM   746  C CG  . GLN   A 1 86  ? -38.198 -19.912 -33.529 1.00 20.64 ? 92  GLN   B CG  1 
ATOM   747  C CD  . GLN   A 1 86  ? -39.101 -20.770 -32.654 1.00 23.75 ? 92  GLN   B CD  1 
ATOM   748  O OE1 . GLN   A 1 86  ? -38.675 -21.770 -32.029 1.00 24.78 ? 92  GLN   B OE1 1 
ATOM   749  N NE2 . GLN   A 1 86  ? -40.384 -20.398 -32.550 1.00 25.59 ? 92  GLN   B NE2 1 
ATOM   750  N N   . ARG   A 1 87  ? -36.486 -17.125 -34.600 1.00 13.39 ? 93  ARG   B N   1 
ATOM   751  C CA  . ARG   A 1 87  ? -36.768 -15.669 -34.475 1.00 12.78 ? 93  ARG   B CA  1 
ATOM   752  C C   . ARG   A 1 87  ? -38.281 -15.457 -34.344 1.00 13.80 ? 93  ARG   B C   1 
ATOM   753  O O   . ARG   A 1 87  ? -38.637 -14.440 -33.747 1.00 13.69 ? 93  ARG   B O   1 
ATOM   754  C CB  . ARG   A 1 87  ? -36.220 -14.840 -35.629 1.00 13.68 ? 93  ARG   B CB  1 
ATOM   755  C CG  . ARG   A 1 87  ? -34.744 -15.054 -35.942 1.00 12.53 ? 93  ARG   B CG  1 
ATOM   756  C CD  . ARG   A 1 87  ? -33.834 -14.820 -34.720 1.00 13.91 ? 93  ARG   B CD  1 
ATOM   757  N NE  . ARG   A 1 87  ? -32.457 -15.281 -35.040 1.00 15.41 ? 93  ARG   B NE  1 
ATOM   758  C CZ  . ARG   A 1 87  ? -31.533 -14.549 -35.652 1.00 14.97 ? 93  ARG   B CZ  1 
ATOM   759  N NH1 . ARG   A 1 87  ? -31.813 -13.316 -36.002 1.00 16.64 ? 93  ARG   B NH1 1 
ATOM   760  N NH2 . ARG   A 1 87  ? -30.373 -15.069 -35.978 1.00 17.12 ? 93  ARG   B NH2 1 
ATOM   761  N N   . LYS   A 1 88  ? -39.120 -16.314 -34.937 1.00 14.14 ? 94  LYS   B N   1 
ATOM   762  C CA  . LYS   A 1 88  ? -40.574 -16.047 -35.063 1.00 14.46 ? 94  LYS   B CA  1 
ATOM   763  C C   . LYS   A 1 88  ? -41.364 -16.950 -34.157 1.00 16.94 ? 94  LYS   B C   1 
ATOM   764  O O   . LYS   A 1 88  ? -41.005 -18.131 -34.029 1.00 18.43 ? 94  LYS   B O   1 
ATOM   765  C CB  . LYS   A 1 88  ? -41.003 -16.212 -36.519 1.00 15.11 ? 94  LYS   B CB  1 
ATOM   766  C CG  . LYS   A 1 88  ? -40.171 -15.451 -37.516 1.00 16.25 ? 94  LYS   B CG  1 
ATOM   767  C CD  . LYS   A 1 88  ? -40.111 -13.929 -37.304 1.00 17.00 ? 94  LYS   B CD  1 
ATOM   768  C CE  . LYS   A 1 88  ? -39.341 -13.280 -38.414 1.00 17.32 ? 94  LYS   B CE  1 
ATOM   769  N NZ  . LYS   A 1 88  ? -39.204 -11.814 -38.224 1.00 18.68 ? 94  LYS   B NZ  1 
ATOM   770  N N   . GLY   A 1 89  ? -42.449 -16.444 -33.617 1.00 16.80 ? 95  GLY   B N   1 
ATOM   771  C CA  . GLY   A 1 89  ? -43.346 -17.231 -32.778 1.00 16.81 ? 95  GLY   B CA  1 
ATOM   772  C C   . GLY   A 1 89  ? -42.863 -17.386 -31.353 1.00 17.52 ? 95  GLY   B C   1 
ATOM   773  O O   . GLY   A 1 89  ? -41.874 -16.668 -30.948 1.00 17.42 ? 95  GLY   B O   1 
ATOM   774  N N   . GLN   A 1 90  ? -43.510 -18.277 -30.613 1.00 18.34 ? 96  GLN   B N   1 
ATOM   775  C CA  . GLN   A 1 90  ? -43.237 -18.518 -29.194 1.00 18.87 ? 96  GLN   B CA  1 
ATOM   776  C C   . GLN   A 1 90  ? -42.156 -19.586 -29.047 1.00 18.56 ? 96  GLN   B C   1 
ATOM   777  O O   . GLN   A 1 90  ? -42.056 -20.502 -29.890 1.00 19.41 ? 96  GLN   B O   1 
ATOM   778  C CB  . GLN   A 1 90  ? -44.525 -18.943 -28.489 1.00 22.88 ? 96  GLN   B CB  1 
ATOM   779  C CG  . GLN   A 1 90  ? -45.562 -17.847 -28.572 1.00 29.11 ? 96  GLN   B CG  1 
ATOM   780  C CD  . GLN   A 1 90  ? -46.902 -18.355 -28.149 1.00 39.48 ? 96  GLN   B CD  1 
ATOM   781  O OE1 . GLN   A 1 90  ? -47.250 -18.268 -26.972 1.00 47.74 ? 96  GLN   B OE1 1 
ATOM   782  N NE2 . GLN   A 1 90  ? -47.615 -18.930 -29.109 1.00 43.55 ? 96  GLN   B NE2 1 
ATOM   783  N N   . PHE   A 1 91  ? -41.311 -19.402 -28.034 1.00 16.52 ? 97  PHE   B N   1 
ATOM   784  C CA  . PHE   A 1 91  ? -40.278 -20.379 -27.653 1.00 16.07 ? 97  PHE   B CA  1 
ATOM   785  C C   . PHE   A 1 91  ? -39.784 -20.092 -26.245 1.00 15.99 ? 97  PHE   B C   1 
ATOM   786  O O   . PHE   A 1 91  ? -39.927 -18.983 -25.715 1.00 17.16 ? 97  PHE   B O   1 
ATOM   787  C CB  . PHE   A 1 91  ? -39.109 -20.322 -28.636 1.00 15.27 ? 97  PHE   B CB  1 
ATOM   788  C CG  . PHE   A 1 91  ? -38.475 -18.962 -28.774 1.00 14.71 ? 97  PHE   B CG  1 
ATOM   789  C CD1 . PHE   A 1 91  ? -37.483 -18.551 -27.894 1.00 15.95 ? 97  PHE   B CD1 1 
ATOM   790  C CD2 . PHE   A 1 91  ? -38.819 -18.108 -29.809 1.00 15.40 ? 97  PHE   B CD2 1 
ATOM   791  C CE1 . PHE   A 1 91  ? -36.864 -17.324 -28.031 1.00 15.52 ? 97  PHE   B CE1 1 
ATOM   792  C CE2 . PHE   A 1 91  ? -38.192 -16.880 -29.960 1.00 14.77 ? 97  PHE   B CE2 1 
ATOM   793  C CZ  . PHE   A 1 91  ? -37.223 -16.492 -29.060 1.00 15.38 ? 97  PHE   B CZ  1 
ATOM   794  N N   A SER   A 1 92  ? -39.228 -21.109 -25.593 0.25 16.16 ? 98  SER   B N   1 
ATOM   795  N N   B SER   A 1 92  ? -39.188 -21.123 -25.644 0.25 15.35 ? 98  SER   B N   1 
ATOM   796  C CA  A SER   A 1 92  ? -38.594 -20.947 -24.263 0.25 16.94 ? 98  SER   B CA  1 
ATOM   797  C CA  B SER   A 1 92  ? -38.556 -21.076 -24.302 0.25 15.64 ? 98  SER   B CA  1 
ATOM   798  C C   A SER   A 1 92  ? -37.087 -20.751 -24.434 0.25 15.22 ? 98  SER   B C   1 
ATOM   799  C C   B SER   A 1 92  ? -37.055 -20.791 -24.433 0.25 14.38 ? 98  SER   B C   1 
ATOM   800  O O   A SER   A 1 92  ? -36.499 -21.253 -25.422 0.25 15.15 ? 98  SER   B O   1 
ATOM   801  O O   B SER   A 1 92  ? -36.423 -21.278 -25.404 0.25 13.94 ? 98  SER   B O   1 
ATOM   802  C CB  A SER   A 1 92  ? -38.866 -22.109 -23.371 0.25 19.21 ? 98  SER   B CB  1 
ATOM   803  C CB  B SER   A 1 92  ? -38.787 -22.364 -23.568 0.25 16.54 ? 98  SER   B CB  1 
ATOM   804  O OG  A SER   A 1 92  ? -38.647 -23.311 -24.078 0.25 22.11 ? 98  SER   B OG  1 
ATOM   805  O OG  B SER   A 1 92  ? -40.162 -22.480 -23.212 0.25 17.62 ? 98  SER   B OG  1 
ATOM   806  N N   . LEU   A 1 93  ? -36.496 -20.031 -23.486 1.00 13.90 ? 99  LEU   B N   1 
ATOM   807  C CA  . LEU   A 1 93  ? -35.043 -19.857 -23.422 1.00 14.48 ? 99  LEU   B CA  1 
ATOM   808  C C   . LEU   A 1 93  ? -34.434 -21.054 -22.726 1.00 14.04 ? 99  LEU   B C   1 
ATOM   809  O O   . LEU   A 1 93  ? -34.547 -21.200 -21.511 1.00 16.53 ? 99  LEU   B O   1 
ATOM   810  C CB  . LEU   A 1 93  ? -34.695 -18.578 -22.671 1.00 14.61 ? 99  LEU   B CB  1 
ATOM   811  C CG  . LEU   A 1 93  ? -35.175 -17.289 -23.309 1.00 16.19 ? 99  LEU   B CG  1 
ATOM   812  C CD1 . LEU   A 1 93  ? -34.829 -16.101 -22.411 1.00 17.48 ? 99  LEU   B CD1 1 
ATOM   813  C CD2 . LEU   A 1 93  ? -34.604 -17.089 -24.699 1.00 17.69 ? 99  LEU   B CD2 1 
ATOM   814  N N   . SER   A 1 94  ? -33.771 -21.952 -23.459 1.00 13.54 ? 100 SER   B N   1 
ATOM   815  C CA  . SER   A 1 94  ? -33.177 -23.184 -22.902 1.00 13.32 ? 100 SER   B CA  1 
ATOM   816  C C   . SER   A 1 94  ? -31.979 -23.534 -23.753 1.00 11.69 ? 100 SER   B C   1 
ATOM   817  O O   . SER   A 1 94  ? -31.986 -23.203 -24.944 1.00 11.57 ? 100 SER   B O   1 
ATOM   818  C CB  . SER   A 1 94  ? -34.115 -24.370 -22.919 1.00 15.12 ? 100 SER   B CB  1 
ATOM   819  O OG  . SER   A 1 94  ? -34.486 -24.678 -24.249 1.00 18.18 ? 100 SER   B OG  1 
ATOM   820  N N   . PRO   A 1 95  ? -31.032 -24.312 -23.245 1.00 11.33 ? 101 PRO   B N   1 
ATOM   821  C CA  . PRO   A 1 95  ? -29.929 -24.809 -24.066 1.00 12.95 ? 101 PRO   B CA  1 
ATOM   822  C C   . PRO   A 1 95  ? -30.418 -25.692 -25.218 1.00 12.63 ? 101 PRO   B C   1 
ATOM   823  O O   . PRO   A 1 95  ? -29.850 -25.590 -26.339 1.00 13.62 ? 101 PRO   B O   1 
ATOM   824  C CB  . PRO   A 1 95  ? -29.027 -25.579 -23.069 1.00 13.39 ? 101 PRO   B CB  1 
ATOM   825  C CG  . PRO   A 1 95  ? -29.310 -24.880 -21.736 1.00 13.43 ? 101 PRO   B CG  1 
ATOM   826  C CD  . PRO   A 1 95  ? -30.787 -24.559 -21.817 1.00 12.91 ? 101 PRO   B CD  1 
ATOM   827  N N   . GLU   A 1 96  ? -31.505 -26.445 -25.019 1.00 13.78 ? 102 GLU   B N   1 
ATOM   828  C CA  . GLU   A 1 96  ? -32.079 -27.278 -26.116 1.00 16.66 ? 102 GLU   B CA  1 
ATOM   829  C C   . GLU   A 1 96  ? -32.482 -26.388 -27.293 1.00 15.86 ? 102 GLU   B C   1 
ATOM   830  O O   . GLU   A 1 96  ? -32.392 -26.821 -28.471 1.00 17.42 ? 102 GLU   B O   1 
ATOM   831  C CB  . GLU   A 1 96  ? -33.228 -28.120 -25.574 1.00 20.73 ? 102 GLU   B CB  1 
ATOM   832  C CG  . GLU   A 1 96  ? -32.816 -28.948 -24.372 1.00 31.04 ? 102 GLU   B CG  1 
ATOM   833  C CD  . GLU   A 1 96  ? -33.256 -28.389 -23.023 1.00 36.95 ? 102 GLU   B CD  1 
ATOM   834  O OE1 . GLU   A 1 96  ? -32.489 -27.564 -22.383 1.00 24.80 ? 102 GLU   B OE1 1 
ATOM   835  O OE2 . GLU   A 1 96  ? -34.378 -28.811 -22.591 1.00 46.49 ? 102 GLU   B OE2 1 
ATOM   836  N N   . ASN   A 1 97  ? -32.957 -25.159 -27.052 1.00 14.40 ? 103 ASN   B N   1 
ATOM   837  C CA  . ASN   A 1 97  ? -33.331 -24.216 -28.130 1.00 13.77 ? 103 ASN   B CA  1 
ATOM   838  C C   . ASN   A 1 97  ? -32.183 -23.284 -28.523 1.00 13.03 ? 103 ASN   B C   1 
ATOM   839  O O   . ASN   A 1 97  ? -32.381 -22.425 -29.378 1.00 14.12 ? 103 ASN   B O   1 
ATOM   840  C CB  . ASN   A 1 97  ? -34.556 -23.377 -27.743 1.00 14.87 ? 103 ASN   B CB  1 
ATOM   841  C CG  . ASN   A 1 97  ? -35.834 -24.171 -27.671 1.00 17.71 ? 103 ASN   B CG  1 
ATOM   842  O OD1 . ASN   A 1 97  ? -35.948 -25.240 -28.289 1.00 19.59 ? 103 ASN   B OD1 1 
ATOM   843  N ND2 . ASN   A 1 97  ? -36.795 -23.716 -26.874 1.00 18.70 ? 103 ASN   B ND2 1 
ATOM   844  N N   . GLY   A 1 98  ? -30.969 -23.483 -28.001 1.00 11.44 ? 104 GLY   B N   1 
ATOM   845  C CA  . GLY   A 1 98  ? -29.805 -22.694 -28.405 1.00 10.84 ? 104 GLY   B CA  1 
ATOM   846  C C   . GLY   A 1 98  ? -29.567 -21.428 -27.611 1.00 10.33 ? 104 GLY   B C   1 
ATOM   847  O O   . GLY   A 1 98  ? -28.896 -20.537 -28.097 1.00 10.70 ? 104 GLY   B O   1 
ATOM   848  N N   . PHE   A 1 99  ? -30.020 -21.385 -26.334 1.00 10.57 ? 105 PHE   B N   1 
ATOM   849  C CA  . PHE   A 1 99  ? -29.810 -20.188 -25.480 1.00 10.65 ? 105 PHE   B CA  1 
ATOM   850  C C   . PHE   A 1 99  ? -29.130 -20.544 -24.155 1.00 9.48  ? 105 PHE   B C   1 
ATOM   851  O O   . PHE   A 1 99  ? -29.589 -21.538 -23.517 1.00 11.33 ? 105 PHE   B O   1 
ATOM   852  C CB  . PHE   A 1 99  ? -31.152 -19.512 -25.132 1.00 10.54 ? 105 PHE   B CB  1 
ATOM   853  C CG  . PHE   A 1 99  ? -31.942 -19.009 -26.325 1.00 10.05 ? 105 PHE   B CG  1 
ATOM   854  C CD1 . PHE   A 1 99  ? -32.839 -19.834 -26.967 1.00 10.83 ? 105 PHE   B CD1 1 
ATOM   855  C CD2 . PHE   A 1 99  ? -31.808 -17.704 -26.758 1.00 10.63 ? 105 PHE   B CD2 1 
ATOM   856  C CE1 . PHE   A 1 99  ? -33.584 -19.381 -28.049 1.00 11.75 ? 105 PHE   B CE1 1 
ATOM   857  C CE2 . PHE   A 1 99  ? -32.551 -17.254 -27.836 1.00 11.50 ? 105 PHE   B CE2 1 
ATOM   858  C CZ  . PHE   A 1 99  ? -33.429 -18.094 -28.461 1.00 10.91 ? 105 PHE   B CZ  1 
ATOM   859  N N   . TRP   A 1 100 ? -28.176 -19.713 -23.737 1.00 8.80  ? 106 TRP   B N   1 
ATOM   860  C CA  . TRP   A 1 100 ? -27.492 -19.817 -22.417 1.00 8.93  ? 106 TRP   B CA  1 
ATOM   861  C C   . TRP   A 1 100 ? -27.648 -18.482 -21.718 1.00 8.61  ? 106 TRP   B C   1 
ATOM   862  O O   . TRP   A 1 100 ? -26.920 -17.534 -22.053 1.00 9.21  ? 106 TRP   B O   1 
ATOM   863  C CB  . TRP   A 1 100 ? -26.025 -20.270 -22.571 1.00 8.79  ? 106 TRP   B CB  1 
ATOM   864  C CG  . TRP   A 1 100 ? -25.941 -21.651 -23.179 1.00 9.13  ? 106 TRP   B CG  1 
ATOM   865  C CD1 . TRP   A 1 100 ? -25.877 -22.868 -22.554 1.00 10.72 ? 106 TRP   B CD1 1 
ATOM   866  C CD2 . TRP   A 1 100 ? -25.943 -21.964 -24.599 1.00 9.57  ? 106 TRP   B CD2 1 
ATOM   867  N NE1 . TRP   A 1 100 ? -25.909 -23.909 -23.469 1.00 10.65 ? 106 TRP   B NE1 1 
ATOM   868  C CE2 . TRP   A 1 100 ? -25.942 -23.367 -24.721 1.00 10.36 ? 106 TRP   B CE2 1 
ATOM   869  C CE3 . TRP   A 1 100 ? -26.004 -21.182 -25.754 1.00 10.10 ? 106 TRP   B CE3 1 
ATOM   870  C CZ2 . TRP   A 1 100 ? -26.004 -23.996 -25.978 1.00 11.67 ? 106 TRP   B CZ2 1 
ATOM   871  C CZ3 . TRP   A 1 100 ? -26.044 -21.818 -26.987 1.00 11.72 ? 106 TRP   B CZ3 1 
ATOM   872  C CH2 . TRP   A 1 100 ? -26.062 -23.191 -27.084 1.00 11.40 ? 106 TRP   B CH2 1 
ATOM   873  N N   . THR   A 1 101 ? -28.660 -18.383 -20.843 1.00 9.24  ? 107 THR   B N   1 
ATOM   874  C CA  . THR   A 1 101 ? -29.157 -17.076 -20.368 1.00 9.07  ? 107 THR   B CA  1 
ATOM   875  C C   . THR   A 1 101 ? -29.486 -17.149 -18.865 1.00 8.72  ? 107 THR   B C   1 
ATOM   876  O O   . THR   A 1 101 ? -29.755 -18.230 -18.328 1.00 9.26  ? 107 THR   B O   1 
ATOM   877  C CB  . THR   A 1 101 ? -30.405 -16.603 -21.113 1.00 9.87  ? 107 THR   B CB  1 
ATOM   878  O OG1 . THR   A 1 101 ? -31.461 -17.526 -20.911 1.00 10.76 ? 107 THR   B OG1 1 
ATOM   879  C CG2 . THR   A 1 101 ? -30.125 -16.434 -22.584 1.00 10.48 ? 107 THR   B CG2 1 
ATOM   880  N N   . ILE   A 1 102 ? -29.528 -15.962 -18.266 1.00 9.34  ? 108 ILE   B N   1 
ATOM   881  C CA  . ILE   A 1 102 ? -30.161 -15.744 -16.928 1.00 9.23  ? 108 ILE   B CA  1 
ATOM   882  C C   . ILE   A 1 102 ? -31.178 -14.616 -17.113 1.00 9.82  ? 108 ILE   B C   1 
ATOM   883  O O   . ILE   A 1 102 ? -31.099 -13.850 -18.106 1.00 10.05 ? 108 ILE   B O   1 
ATOM   884  C CB  . ILE   A 1 102 ? -29.137 -15.447 -15.799 1.00 9.70  ? 108 ILE   B CB  1 
ATOM   885  C CG1 . ILE   A 1 102 ? -28.445 -14.095 -15.971 1.00 10.09 ? 108 ILE   B CG1 1 
ATOM   886  C CG2 . ILE   A 1 102 ? -28.142 -16.592 -15.706 1.00 10.25 ? 108 ILE   B CG2 1 
ATOM   887  C CD1 . ILE   A 1 102 ? -27.624 -13.626 -14.799 1.00 10.63 ? 108 ILE   B CD1 1 
ATOM   888  N N   . TRP   A 1 103 ? -32.029 -14.474 -16.123 1.00 9.50  ? 109 TRP   B N   1 
ATOM   889  C CA  . TRP   A 1 103 ? -33.047 -13.414 -16.160 1.00 10.15 ? 109 TRP   B CA  1 
ATOM   890  C C   . TRP   A 1 103 ? -33.468 -12.983 -14.786 1.00 10.21 ? 109 TRP   B C   1 
ATOM   891  O O   . TRP   A 1 103 ? -33.288 -13.655 -13.782 1.00 11.10 ? 109 TRP   B O   1 
ATOM   892  C CB  . TRP   A 1 103 ? -34.242 -13.835 -16.970 1.00 12.18 ? 109 TRP   B CB  1 
ATOM   893  C CG  . TRP   A 1 103 ? -35.039 -14.963 -16.461 1.00 14.15 ? 109 TRP   B CG  1 
ATOM   894  C CD1 . TRP   A 1 103 ? -35.877 -14.956 -15.384 1.00 14.90 ? 109 TRP   B CD1 1 
ATOM   895  C CD2 . TRP   A 1 103 ? -35.165 -16.232 -17.094 1.00 15.71 ? 109 TRP   B CD2 1 
ATOM   896  N NE1 . TRP   A 1 103 ? -36.568 -16.121 -15.342 1.00 18.04 ? 109 TRP   B NE1 1 
ATOM   897  C CE2 . TRP   A 1 103 ? -36.153 -16.931 -16.361 1.00 16.68 ? 109 TRP   B CE2 1 
ATOM   898  C CE3 . TRP   A 1 103 ? -34.608 -16.813 -18.237 1.00 17.55 ? 109 TRP   B CE3 1 
ATOM   899  C CZ2 . TRP   A 1 103 ? -36.535 -18.228 -16.695 1.00 19.96 ? 109 TRP   B CZ2 1 
ATOM   900  C CZ3 . TRP   A 1 103 ? -35.017 -18.080 -18.572 1.00 18.58 ? 109 TRP   B CZ3 1 
ATOM   901  C CH2 . TRP   A 1 103 ? -35.956 -18.764 -17.821 1.00 18.43 ? 109 TRP   B CH2 1 
ATOM   902  N N   . LEU   A 1 104 ? -34.076 -11.780 -14.798 1.00 10.16 ? 110 LEU   B N   1 
ATOM   903  C CA  . LEU   A 1 104 ? -34.840 -11.226 -13.668 1.00 10.36 ? 110 LEU   B CA  1 
ATOM   904  C C   . LEU   A 1 104 ? -36.306 -11.179 -14.059 1.00 10.39 ? 110 LEU   B C   1 
ATOM   905  O O   . LEU   A 1 104 ? -36.617 -10.710 -15.159 1.00 10.80 ? 110 LEU   B O   1 
ATOM   906  C CB  . LEU   A 1 104 ? -34.386 -9.816  -13.369 1.00 10.72 ? 110 LEU   B CB  1 
ATOM   907  C CG  . LEU   A 1 104 ? -35.207 -9.032  -12.332 1.00 11.00 ? 110 LEU   B CG  1 
ATOM   908  C CD1 . LEU   A 1 104 ? -35.236 -9.694  -10.954 1.00 12.20 ? 110 LEU   B CD1 1 
ATOM   909  C CD2 . LEU   A 1 104 ? -34.740 -7.595  -12.224 1.00 13.16 ? 110 LEU   B CD2 1 
ATOM   910  N N   . TRP   A 1 105 ? -37.179 -11.634 -13.166 1.00 11.71 ? 111 TRP   B N   1 
ATOM   911  C CA  . TRP   A 1 105 ? -38.635 -11.616 -13.397 1.00 12.58 ? 111 TRP   B CA  1 
ATOM   912  C C   . TRP   A 1 105 ? -39.336 -11.651 -12.041 1.00 14.31 ? 111 TRP   B C   1 
ATOM   913  O O   . TRP   A 1 105 ? -39.018 -12.527 -11.220 1.00 14.24 ? 111 TRP   B O   1 
ATOM   914  C CB  . TRP   A 1 105 ? -39.014 -12.833 -14.251 1.00 15.98 ? 111 TRP   B CB  1 
ATOM   915  C CG  . TRP   A 1 105 ? -40.463 -13.065 -14.367 1.00 18.32 ? 111 TRP   B CG  1 
ATOM   916  C CD1 . TRP   A 1 105 ? -41.224 -14.069 -13.818 1.00 19.95 ? 111 TRP   B CD1 1 
ATOM   917  C CD2 . TRP   A 1 105 ? -41.327 -12.251 -15.156 1.00 19.04 ? 111 TRP   B CD2 1 
ATOM   918  N NE1 . TRP   A 1 105 ? -42.516 -13.904 -14.208 1.00 20.26 ? 111 TRP   B NE1 1 
ATOM   919  C CE2 . TRP   A 1 105 ? -42.609 -12.816 -15.040 1.00 18.13 ? 111 TRP   B CE2 1 
ATOM   920  C CE3 . TRP   A 1 105 ? -41.142 -11.137 -15.974 1.00 18.61 ? 111 TRP   B CE3 1 
ATOM   921  C CZ2 . TRP   A 1 105 ? -43.712 -12.290 -15.697 1.00 21.90 ? 111 TRP   B CZ2 1 
ATOM   922  C CZ3 . TRP   A 1 105 ? -42.241 -10.580 -16.585 1.00 22.36 ? 111 TRP   B CZ3 1 
ATOM   923  C CH2 . TRP   A 1 105 ? -43.509 -11.139 -16.437 1.00 20.65 ? 111 TRP   B CH2 1 
ATOM   924  N N   . GLN   A 1 106 ? -40.192 -10.659 -11.778 1.00 13.23 ? 112 GLN   B N   1 
ATOM   925  C CA  . GLN   A 1 106 ? -41.001 -10.683 -10.525 1.00 13.17 ? 112 GLN   B CA  1 
ATOM   926  C C   . GLN   A 1 106 ? -40.096 -10.851 -9.328  1.00 14.54 ? 112 GLN   B C   1 
ATOM   927  O O   . GLN   A 1 106 ? -40.464 -11.681 -8.417  1.00 16.81 ? 112 GLN   B O   1 
ATOM   928  C CB  . GLN   A 1 106 ? -42.112 -11.726 -10.649 1.00 14.99 ? 112 GLN   B CB  1 
ATOM   929  C CG  . GLN   A 1 106 ? -43.052 -11.415 -11.799 1.00 16.66 ? 112 GLN   B CG  1 
ATOM   930  C CD  . GLN   A 1 106 ? -44.321 -12.223 -11.858 1.00 17.90 ? 112 GLN   B CD  1 
ATOM   931  O OE1 . GLN   A 1 106 ? -45.268 -11.890 -12.612 1.00 21.66 ? 112 GLN   B OE1 1 
ATOM   932  N NE2 . GLN   A 1 106 ? -44.374 -13.276 -11.067 1.00 17.26 ? 112 GLN   B NE2 1 
ATOM   933  N N   . ASP   A 1 107 ? -39.061 -10.042 -9.216  1.00 15.73 ? 113 ASP   B N   1 
ATOM   934  C CA  . ASP   A 1 107 ? -38.210 -9.950  -8.016  1.00 20.62 ? 113 ASP   B CA  1 
ATOM   935  C C   . ASP   A 1 107 ? -37.427 -11.252 -7.753  1.00 20.16 ? 113 ASP   B C   1 
ATOM   936  O O   . ASP   A 1 107 ? -36.745 -11.301 -6.683  1.00 25.44 ? 113 ASP   B O   1 
ATOM   937  C CB  . ASP   A 1 107 ? -39.104 -9.675  -6.797  1.00 25.51 ? 113 ASP   B CB  1 
ATOM   938  C CG  . ASP   A 1 107 ? -38.458 -8.837  -5.736  1.00 36.32 ? 113 ASP   B CG  1 
ATOM   939  O OD1 . ASP   A 1 107 ? -37.441 -8.160  -6.031  1.00 42.18 ? 113 ASP   B OD1 1 
ATOM   940  O OD2 . ASP   A 1 107 ? -39.011 -8.841  -4.617  1.00 57.08 ? 113 ASP   B OD2 1 
ATOM   941  N N   . SER   A 1 108 ? -37.369 -12.184 -8.700  1.00 15.36 ? 114 SER   B N   1 
ATOM   942  C CA  . SER   A 1 108 ? -36.467 -13.374 -8.593  1.00 16.94 ? 114 SER   B CA  1 
ATOM   943  C C   . SER   A 1 108 ? -35.551 -13.490 -9.811  1.00 14.68 ? 114 SER   B C   1 
ATOM   944  O O   . SER   A 1 108 ? -35.935 -13.134 -10.972 1.00 14.41 ? 114 SER   B O   1 
ATOM   945  C CB  . SER   A 1 108 ? -37.249 -14.604 -8.283  1.00 22.50 ? 114 SER   B CB  1 
ATOM   946  O OG  . SER   A 1 108 ? -37.870 -15.137 -9.418  1.00 32.81 ? 114 SER   B OG  1 
ATOM   947  N N   . TYR   A 1 109 ? -34.355 -13.957 -9.559  1.00 12.94 ? 115 TYR   B N   1 
ATOM   948  C CA  . TYR   A 1 109 ? -33.356 -14.254 -10.622 1.00 12.08 ? 115 TYR   B CA  1 
ATOM   949  C C   . TYR   A 1 109 ? -33.327 -15.751 -10.876 1.00 11.32 ? 115 TYR   B C   1 
ATOM   950  O O   . TYR   A 1 109 ? -33.322 -16.541 -9.927  1.00 12.76 ? 115 TYR   B O   1 
ATOM   951  C CB  . TYR   A 1 109 ? -31.992 -13.736 -10.220 1.00 11.85 ? 115 TYR   B CB  1 
ATOM   952  C CG  . TYR   A 1 109 ? -31.939 -12.236 -9.957  1.00 12.28 ? 115 TYR   B CG  1 
ATOM   953  C CD1 . TYR   A 1 109 ? -32.199 -11.703 -8.705  1.00 13.04 ? 115 TYR   B CD1 1 
ATOM   954  C CD2 . TYR   A 1 109 ? -31.565 -11.362 -10.959 1.00 11.73 ? 115 TYR   B CD2 1 
ATOM   955  C CE1 . TYR   A 1 109 ? -32.084 -10.334 -8.473  1.00 13.54 ? 115 TYR   B CE1 1 
ATOM   956  C CE2 . TYR   A 1 109 ? -31.485 -9.991  -10.748 1.00 12.71 ? 115 TYR   B CE2 1 
ATOM   957  C CZ  . TYR   A 1 109 ? -31.759 -9.482  -9.494  1.00 12.82 ? 115 TYR   B CZ  1 
ATOM   958  O OH  . TYR   A 1 109 ? -31.740 -8.119  -9.278  1.00 14.56 ? 115 TYR   B OH  1 
ATOM   959  N N   A GLU   A 1 110 ? -33.301 -16.154 -12.150 0.25 11.46 ? 116 GLU   B N   1 
ATOM   960  N N   B GLU   A 1 110 ? -33.335 -16.140 -12.157 0.25 11.54 ? 116 GLU   B N   1 
ATOM   961  C CA  A GLU   A 1 110 ? -33.287 -17.592 -12.535 0.25 11.80 ? 116 GLU   B CA  1 
ATOM   962  C CA  B GLU   A 1 110 ? -33.326 -17.562 -12.602 0.25 11.92 ? 116 GLU   B CA  1 
ATOM   963  C C   A GLU   A 1 110 ? -32.383 -17.821 -13.743 0.25 10.71 ? 116 GLU   B C   1 
ATOM   964  C C   B GLU   A 1 110 ? -32.260 -17.758 -13.684 0.25 10.67 ? 116 GLU   B C   1 
ATOM   965  O O   A GLU   A 1 110 ? -32.329 -16.979 -14.638 0.25 10.85 ? 116 GLU   B O   1 
ATOM   966  O O   B GLU   A 1 110 ? -31.906 -16.788 -14.400 0.25 10.36 ? 116 GLU   B O   1 
ATOM   967  C CB  A GLU   A 1 110 ? -34.693 -18.089 -12.849 0.25 13.02 ? 116 GLU   B CB  1 
ATOM   968  C CB  B GLU   A 1 110 ? -34.691 -17.982 -13.145 0.25 13.30 ? 116 GLU   B CB  1 
ATOM   969  C CG  A GLU   A 1 110 ? -35.640 -17.968 -11.663 0.25 14.76 ? 116 GLU   B CG  1 
ATOM   970  C CG  B GLU   A 1 110 ? -35.835 -17.821 -12.148 0.25 15.63 ? 116 GLU   B CG  1 
ATOM   971  C CD  A GLU   A 1 110 ? -37.075 -18.327 -12.003 0.25 16.36 ? 116 GLU   B CD  1 
ATOM   972  C CD  B GLU   A 1 110 ? -36.003 -18.983 -11.176 0.25 17.15 ? 116 GLU   B CD  1 
ATOM   973  O OE1 A GLU   A 1 110 ? -37.511 -18.003 -13.118 0.25 18.31 ? 116 GLU   B OE1 1 
ATOM   974  O OE1 B GLU   A 1 110 ? -35.484 -20.076 -11.458 0.25 21.11 ? 116 GLU   B OE1 1 
ATOM   975  O OE2 A GLU   A 1 110 ? -37.751 -18.945 -11.158 0.25 16.44 ? 116 GLU   B OE2 1 
ATOM   976  O OE2 B GLU   A 1 110 ? -36.699 -18.802 -10.167 0.25 21.60 ? 116 GLU   B OE2 1 
ATOM   977  N N   . ALA   A 1 111 ? -31.742 -18.987 -13.783 1.00 10.92 ? 117 ALA   B N   1 
ATOM   978  C CA  . ALA   A 1 111 ? -30.997 -19.405 -14.979 1.00 10.89 ? 117 ALA   B CA  1 
ATOM   979  C C   . ALA   A 1 111 ? -31.932 -20.143 -15.916 1.00 11.19 ? 117 ALA   B C   1 
ATOM   980  O O   . ALA   A 1 111 ? -32.796 -20.959 -15.513 1.00 11.36 ? 117 ALA   B O   1 
ATOM   981  C CB  . ALA   A 1 111 ? -29.824 -20.287 -14.602 1.00 11.35 ? 117 ALA   B CB  1 
ATOM   982  N N   . GLY   A 1 112 ? -31.766 -19.882 -17.216 1.00 11.19 ? 118 GLY   B N   1 
ATOM   983  C CA  . GLY   A 1 112 ? -32.544 -20.440 -18.335 1.00 12.26 ? 118 GLY   B CA  1 
ATOM   984  C C   . GLY   A 1 112 ? -32.209 -21.884 -18.639 1.00 12.98 ? 118 GLY   B C   1 
ATOM   985  O O   . GLY   A 1 112 ? -31.953 -22.234 -19.766 1.00 14.48 ? 118 GLY   B O   1 
ATOM   986  N N   . THR   A 1 113 ? -32.168 -22.754 -17.651 1.00 14.20 ? 119 THR   B N   1 
ATOM   987  C CA  . THR   A 1 113 ? -32.213 -24.210 -17.867 1.00 14.57 ? 119 THR   B CA  1 
ATOM   988  C C   . THR   A 1 113 ? -33.648 -24.685 -18.117 1.00 14.89 ? 119 THR   B C   1 
ATOM   989  O O   . THR   A 1 113 ? -34.580 -23.893 -17.936 1.00 17.98 ? 119 THR   B O   1 
ATOM   990  C CB  . THR   A 1 113 ? -31.584 -24.854 -16.646 1.00 12.43 ? 119 THR   B CB  1 
ATOM   991  O OG1 . THR   A 1 113 ? -32.266 -24.418 -15.451 1.00 13.45 ? 119 THR   B OG1 1 
ATOM   992  C CG2 . THR   A 1 113 ? -30.129 -24.566 -16.449 1.00 14.22 ? 119 THR   B CG2 1 
ATOM   993  N N   . SER   A 1 114 ? -33.833 -25.979 -18.431 1.00 18.12 ? 120 SER   B N   1 
ATOM   994  C CA  . SER   A 1 114 ? -35.192 -26.531 -18.595 1.00 21.83 ? 120 SER   B CA  1 
ATOM   995  C C   . SER   A 1 114 ? -35.362 -27.741 -17.671 1.00 23.03 ? 120 SER   B C   1 
ATOM   996  O O   . SER   A 1 114 ? -34.672 -28.750 -17.830 1.00 26.30 ? 120 SER   B O   1 
ATOM   997  C CB  . SER   A 1 114 ? -35.477 -26.854 -20.054 1.00 27.03 ? 120 SER   B CB  1 
ATOM   998  O OG  . SER   A 1 114 ? -36.826 -27.285 -20.191 1.00 30.06 ? 120 SER   B OG  1 
ATOM   999  N N   . PRO   A 1 115 ? -36.120 -27.606 -16.564 1.00 20.93 ? 121 PRO   B N   1 
ATOM   1000 C CA  . PRO   A 1 115 ? -36.772 -26.366 -16.159 1.00 21.37 ? 121 PRO   B CA  1 
ATOM   1001 C C   . PRO   A 1 115 ? -35.790 -25.356 -15.531 1.00 17.18 ? 121 PRO   B C   1 
ATOM   1002 O O   . PRO   A 1 115 ? -34.626 -25.680 -15.244 1.00 16.38 ? 121 PRO   B O   1 
ATOM   1003 C CB  . PRO   A 1 115 ? -37.763 -26.829 -15.091 1.00 24.72 ? 121 PRO   B CB  1 
ATOM   1004 C CG  . PRO   A 1 115 ? -37.045 -27.973 -14.419 1.00 23.62 ? 121 PRO   B CG  1 
ATOM   1005 C CD  . PRO   A 1 115 ? -36.262 -28.663 -15.531 1.00 23.64 ? 121 PRO   B CD  1 
ATOM   1006 N N   . GLN   A 1 116 ? -36.254 -24.138 -15.343 1.00 17.01 ? 122 GLN   B N   1 
ATOM   1007 C CA  . GLN   A 1 116 ? -35.415 -23.020 -14.860 1.00 15.47 ? 122 GLN   B CA  1 
ATOM   1008 C C   . GLN   A 1 116 ? -34.874 -23.287 -13.444 1.00 13.60 ? 122 GLN   B C   1 
ATOM   1009 O O   . GLN   A 1 116 ? -35.508 -24.007 -12.641 1.00 15.49 ? 122 GLN   B O   1 
ATOM   1010 C CB  . GLN   A 1 116 ? -36.111 -21.664 -14.968 1.00 19.68 ? 122 GLN   B CB  1 
ATOM   1011 C CG  . GLN   A 1 116 ? -37.191 -21.391 -13.952 1.00 26.41 ? 122 GLN   B CG  1 
ATOM   1012 C CD  . GLN   A 1 116 ? -38.558 -21.665 -14.516 1.00 37.21 ? 122 GLN   B CD  1 
ATOM   1013 O OE1 . GLN   A 1 116 ? -38.781 -22.627 -15.263 1.00 42.66 ? 122 GLN   B OE1 1 
ATOM   1014 N NE2 . GLN   A 1 116 ? -39.495 -20.826 -14.112 1.00 46.87 ? 122 GLN   B NE2 1 
ATOM   1015 N N   . THR   A 1 117 ? -33.724 -22.692 -13.164 1.00 11.90 ? 123 THR   B N   1 
ATOM   1016 C CA  . THR   A 1 117 ? -32.997 -22.873 -11.889 1.00 11.62 ? 123 THR   B CA  1 
ATOM   1017 C C   . THR   A 1 117 ? -33.010 -21.573 -11.094 1.00 11.47 ? 123 THR   B C   1 
ATOM   1018 O O   . THR   A 1 117 ? -32.532 -20.544 -11.574 1.00 12.35 ? 123 THR   B O   1 
ATOM   1019 C CB  . THR   A 1 117 ? -31.573 -23.367 -12.154 1.00 11.70 ? 123 THR   B CB  1 
ATOM   1020 O OG1 . THR   A 1 117 ? -31.636 -24.598 -12.864 1.00 13.22 ? 123 THR   B OG1 1 
ATOM   1021 C CG2 . THR   A 1 117 ? -30.795 -23.554 -10.872 1.00 12.60 ? 123 THR   B CG2 1 
ATOM   1022 N N   . THR   A 1 118 ? -33.378 -21.660 -9.813  1.00 12.52 ? 124 THR   B N   1 
ATOM   1023 C CA  . THR   A 1 118 ? -33.317 -20.529 -8.868  1.00 13.32 ? 124 THR   B CA  1 
ATOM   1024 C C   . THR   A 1 118 ? -31.897 -20.045 -8.631  1.00 12.04 ? 124 THR   B C   1 
ATOM   1025 O O   . THR   A 1 118 ? -30.981 -20.901 -8.399  1.00 13.93 ? 124 THR   B O   1 
ATOM   1026 C CB  . THR   A 1 118 ? -33.913 -20.979 -7.529  1.00 16.28 ? 124 THR   B CB  1 
ATOM   1027 O OG1 . THR   A 1 118 ? -35.281 -21.253 -7.778  1.00 18.70 ? 124 THR   B OG1 1 
ATOM   1028 C CG2 . THR   A 1 118 ? -33.719 -19.946 -6.445  1.00 18.93 ? 124 THR   B CG2 1 
ATOM   1029 N N   . LEU   A 1 119 ? -31.644 -18.749 -8.734  1.00 11.44 ? 125 LEU   B N   1 
ATOM   1030 C CA  . LEU   A 1 119 ? -30.347 -18.138 -8.438  1.00 10.89 ? 125 LEU   B CA  1 
ATOM   1031 C C   . LEU   A 1 119 ? -30.425 -17.564 -7.023  1.00 13.44 ? 125 LEU   B C   1 
ATOM   1032 O O   . LEU   A 1 119 ? -31.547 -17.279 -6.543  1.00 17.48 ? 125 LEU   B O   1 
ATOM   1033 C CB  . LEU   A 1 119 ? -29.935 -17.072 -9.481  1.00 11.34 ? 125 LEU   B CB  1 
ATOM   1034 C CG  . LEU   A 1 119 ? -29.851 -17.594 -10.913 1.00 10.99 ? 125 LEU   B CG  1 
ATOM   1035 C CD1 . LEU   A 1 119 ? -29.613 -16.481 -11.917 1.00 11.62 ? 125 LEU   B CD1 1 
ATOM   1036 C CD2 . LEU   A 1 119 ? -28.771 -18.667 -11.051 1.00 11.84 ? 125 LEU   B CD2 1 
ATOM   1037 N N   . HIS   A 1 120 ? -29.291 -17.462 -6.382  1.00 12.30 ? 126 HIS   B N   1 
ATOM   1038 C CA  . HIS   A 1 120 ? -29.166 -16.993 -4.976  1.00 13.44 ? 126 HIS   B CA  1 
ATOM   1039 C C   . HIS   A 1 120 ? -28.331 -15.729 -5.001  1.00 15.10 ? 126 HIS   B C   1 
ATOM   1040 O O   . HIS   A 1 120 ? -27.074 -15.801 -5.068  1.00 20.28 ? 126 HIS   B O   1 
ATOM   1041 C CB  . HIS   A 1 120 ? -28.503 -18.091 -4.119  1.00 14.57 ? 126 HIS   B CB  1 
ATOM   1042 C CG  . HIS   A 1 120 ? -29.274 -19.370 -4.069  1.00 15.94 ? 126 HIS   B CG  1 
ATOM   1043 N ND1 . HIS   A 1 120 ? -29.001 -20.454 -4.893  1.00 18.41 ? 126 HIS   B ND1 1 
ATOM   1044 C CD2 . HIS   A 1 120 ? -30.367 -19.697 -3.384  1.00 17.47 ? 126 HIS   B CD2 1 
ATOM   1045 C CE1 . HIS   A 1 120 ? -29.892 -21.406 -4.642  1.00 19.13 ? 126 HIS   B CE1 1 
ATOM   1046 N NE2 . HIS   A 1 120 ? -30.719 -20.982 -3.698  1.00 18.44 ? 126 HIS   B NE2 1 
ATOM   1047 N N   . ILE   A 1 121 ? -28.969 -14.586 -5.044  1.00 18.03 ? 127 ILE   B N   1 
ATOM   1048 C CA  . ILE   A 1 121 ? -28.283 -13.270 -5.177  1.00 19.73 ? 127 ILE   B CA  1 
ATOM   1049 C C   . ILE   A 1 121 ? -28.683 -12.414 -3.942  1.00 19.81 ? 127 ILE   B C   1 
ATOM   1050 O O   . ILE   A 1 121 ? -29.866 -12.149 -3.737  1.00 26.24 ? 127 ILE   B O   1 
ATOM   1051 C CB  . ILE   A 1 121 ? -28.660 -12.623 -6.532  1.00 21.54 ? 127 ILE   B CB  1 
ATOM   1052 C CG1 . ILE   A 1 121 ? -28.252 -13.508 -7.729  1.00 19.65 ? 127 ILE   B CG1 1 
ATOM   1053 C CG2 . ILE   A 1 121 ? -28.052 -11.222 -6.590  1.00 26.82 ? 127 ILE   B CG2 1 
ATOM   1054 C CD1 . ILE   A 1 121 ? -28.367 -12.855 -9.101  1.00 20.66 ? 127 ILE   B CD1 1 
ATOM   1055 N N   . GLN   A 1 122 ? -27.712 -12.074 -3.126  1.00 23.54 ? 128 GLN   B N   1 
ATOM   1056 C CA  . GLN   A 1 122 ? -27.954 -11.277 -1.885  1.00 25.61 ? 128 GLN   B CA  1 
ATOM   1057 C C   . GLN   A 1 122 ? -27.920 -9.784  -2.237  1.00 23.48 ? 128 GLN   B C   1 
ATOM   1058 O O   . GLN   A 1 122 ? -28.687 -9.001  -1.614  1.00 24.65 ? 128 GLN   B O   1 
ATOM   1059 C CB  . GLN   A 1 122 ? -26.886 -11.648 -0.846  1.00 29.21 ? 128 GLN   B CB  1 
ATOM   1060 C CG  . GLN   A 1 122 ? -26.944 -10.836 0.455   1.00 38.23 ? 128 GLN   B CG  1 
ATOM   1061 C CD  . GLN   A 1 122 ? -28.218 -11.056 1.245   1.00 43.38 ? 128 GLN   B CD  1 
ATOM   1062 O OE1 . GLN   A 1 122 ? -28.924 -12.050 1.067   1.00 51.33 ? 128 GLN   B OE1 1 
ATOM   1063 N NE2 . GLN   A 1 122 ? -28.544 -10.110 2.115   1.00 46.81 ? 128 GLN   B NE2 1 
ATOM   1064 N N   . VAL   A 1 123 ? -27.122 -9.417  -3.236  1.00 20.36 ? 129 VAL   B N   1 
ATOM   1065 C CA  . VAL   A 1 123 ? -26.925 -7.983  -3.645  1.00 18.76 ? 129 VAL   B CA  1 
ATOM   1066 C C   . VAL   A 1 123 ? -27.479 -7.794  -5.056  1.00 17.92 ? 129 VAL   B C   1 
ATOM   1067 O O   . VAL   A 1 123 ? -26.852 -8.279  -6.004  1.00 17.09 ? 129 VAL   B O   1 
ATOM   1068 C CB  . VAL   A 1 123 ? -25.448 -7.574  -3.599  1.00 20.62 ? 129 VAL   B CB  1 
ATOM   1069 C CG1 . VAL   A 1 123 ? -25.221 -6.145  -4.112  1.00 20.57 ? 129 VAL   B CG1 1 
ATOM   1070 C CG2 . VAL   A 1 123 ? -24.874 -7.691  -2.189  1.00 22.53 ? 129 VAL   B CG2 1 
ATOM   1071 N N   . PRO   A 1 124 ? -28.695 -7.238  -5.256  1.00 17.32 ? 130 PRO   B N   1 
ATOM   1072 C CA  . PRO   A 1 124 ? -29.273 -7.112  -6.598  1.00 17.25 ? 130 PRO   B CA  1 
ATOM   1073 C C   . PRO   A 1 124 ? -28.277 -6.433  -7.519  1.00 16.69 ? 130 PRO   B C   1 
ATOM   1074 O O   . PRO   A 1 124 ? -27.761 -5.380  -7.236  1.00 17.54 ? 130 PRO   B O   1 
ATOM   1075 C CB  . PRO   A 1 124 ? -30.514 -6.238  -6.316  1.00 20.82 ? 130 PRO   B CB  1 
ATOM   1076 C CG  . PRO   A 1 124 ? -30.921 -6.707  -4.912  1.00 20.49 ? 130 PRO   B CG  1 
ATOM   1077 C CD  . PRO   A 1 124 ? -29.620 -6.769  -4.197  1.00 20.38 ? 130 PRO   B CD  1 
ATOM   1078 N N   . PRO   A 1 125 ? -27.885 -7.052  -8.657  1.00 14.78 ? 131 PRO   B N   1 
ATOM   1079 C CA  . PRO   A 1 125 ? -26.890 -6.468  -9.536  1.00 14.70 ? 131 PRO   B CA  1 
ATOM   1080 C C   . PRO   A 1 125 ? -27.391 -5.247  -10.302 1.00 13.76 ? 131 PRO   B C   1 
ATOM   1081 O O   . PRO   A 1 125 ? -28.502 -5.280  -10.795 1.00 15.30 ? 131 PRO   B O   1 
ATOM   1082 C CB  . PRO   A 1 125 ? -26.491 -7.631  -10.473 1.00 14.97 ? 131 PRO   B CB  1 
ATOM   1083 C CG  . PRO   A 1 125 ? -27.590 -8.595  -10.370 1.00 16.91 ? 131 PRO   B CG  1 
ATOM   1084 C CD  . PRO   A 1 125 ? -28.225 -8.434  -9.022  1.00 15.62 ? 131 PRO   B CD  1 
ATOM   1085 N N   . CYS   A 1 126 ? -26.519 -4.256  -10.419 1.00 14.70 ? 132 CYS   B N   1 
ATOM   1086 C CA  . CYS   A 1 126 ? -26.713 -3.130  -11.368 1.00 15.46 ? 132 CYS   B CA  1 
ATOM   1087 C C   . CYS   A 1 126 ? -25.942 -3.385  -12.663 1.00 13.84 ? 132 CYS   B C   1 
ATOM   1088 O O   . CYS   A 1 126 ? -26.273 -2.809  -13.685 1.00 13.23 ? 132 CYS   B O   1 
ATOM   1089 C CB  . CYS   A 1 126 ? -26.313 -1.785  -10.783 1.00 18.29 ? 132 CYS   B CB  1 
ATOM   1090 S SG  . CYS   A 1 126 ? -27.301 -1.362  -9.319  1.00 25.78 ? 132 CYS   B SG  1 
ATOM   1091 N N   A GLN   A 1 127 ? -24.877 -4.202  -12.628 0.25 13.87 ? 133 GLN   B N   1 
ATOM   1092 N N   B GLN   A 1 127 ? -24.955 -4.282  -12.605 0.25 14.19 ? 133 GLN   B N   1 
ATOM   1093 C CA  A GLN   A 1 127 ? -24.131 -4.613  -13.853 0.25 14.17 ? 133 GLN   B CA  1 
ATOM   1094 C CA  B GLN   A 1 127 ? -24.122 -4.648  -13.774 0.25 15.02 ? 133 GLN   B CA  1 
ATOM   1095 C C   A GLN   A 1 127 ? -23.762 -6.098  -13.743 0.25 13.57 ? 133 GLN   B C   1 
ATOM   1096 C C   B GLN   A 1 127 ? -23.859 -6.156  -13.710 0.25 14.04 ? 133 GLN   B C   1 
ATOM   1097 O O   A GLN   A 1 127 ? -23.369 -6.548  -12.632 0.25 12.30 ? 133 GLN   B O   1 
ATOM   1098 O O   B GLN   A 1 127 ? -23.712 -6.708  -12.589 0.25 12.58 ? 133 GLN   B O   1 
ATOM   1099 C CB  A GLN   A 1 127 ? -22.845 -3.817  -14.121 0.25 15.60 ? 133 GLN   B CB  1 
ATOM   1100 C CB  B GLN   A 1 127 ? -22.834 -3.822  -13.812 0.25 17.45 ? 133 GLN   B CB  1 
ATOM   1101 C CG  A GLN   A 1 127 ? -23.048 -2.333  -14.393 0.25 16.96 ? 133 GLN   B CG  1 
ATOM   1102 C CG  B GLN   A 1 127 ? -23.075 -2.323  -13.911 0.25 19.62 ? 133 GLN   B CG  1 
ATOM   1103 C CD  A GLN   A 1 127 ? -22.967 -1.568  -13.098 0.25 18.60 ? 133 GLN   B CD  1 
ATOM   1104 C CD  B GLN   A 1 127 ? -21.830 -1.558  -14.284 0.25 21.43 ? 133 GLN   B CD  1 
ATOM   1105 O OE1 A GLN   A 1 127 ? -22.261 -1.967  -12.177 0.25 19.05 ? 133 GLN   B OE1 1 
ATOM   1106 O OE1 B GLN   A 1 127 ? -20.751 -2.120  -14.459 0.25 25.98 ? 133 GLN   B OE1 1 
ATOM   1107 N NE2 A GLN   A 1 127 ? -23.734 -0.491  -13.007 0.25 19.10 ? 133 GLN   B NE2 1 
ATOM   1108 N NE2 B GLN   A 1 127 ? -21.971 -0.254  -14.400 0.25 23.86 ? 133 GLN   B NE2 1 
ATOM   1109 N N   . ILE   A 1 128 ? -23.892 -6.793  -14.880 1.00 12.72 ? 134 ILE   B N   1 
ATOM   1110 C CA  . ILE   A 1 128 ? -23.725 -8.262  -15.024 1.00 11.93 ? 134 ILE   B CA  1 
ATOM   1111 C C   . ILE   A 1 128 ? -22.503 -8.434  -15.934 1.00 12.95 ? 134 ILE   B C   1 
ATOM   1112 O O   . ILE   A 1 128 ? -22.443 -7.847  -17.048 1.00 12.04 ? 134 ILE   B O   1 
ATOM   1113 C CB  . ILE   A 1 128 ? -24.973 -8.904  -15.639 1.00 13.60 ? 134 ILE   B CB  1 
ATOM   1114 C CG1 . ILE   A 1 128 ? -26.265 -8.723  -14.825 1.00 15.92 ? 134 ILE   B CG1 1 
ATOM   1115 C CG2 . ILE   A 1 128 ? -24.690 -10.381 -15.925 1.00 13.96 ? 134 ILE   B CG2 1 
ATOM   1116 C CD1 . ILE   A 1 128 ? -26.253 -9.453  -13.577 1.00 15.14 ? 134 ILE   B CD1 1 
ATOM   1117 N N   . GLY   A 1 129 ? -21.556 -9.294  -15.555 1.00 11.97 ? 135 GLY   B N   1 
ATOM   1118 C CA  . GLY   A 1 129 ? -20.483 -9.735  -16.451 1.00 11.90 ? 135 GLY   B CA  1 
ATOM   1119 C C   . GLY   A 1 129 ? -20.764 -11.104 -17.011 1.00 11.48 ? 135 GLY   B C   1 
ATOM   1120 O O   . GLY   A 1 129 ? -21.314 -11.960 -16.332 1.00 11.74 ? 135 GLY   B O   1 
ATOM   1121 N N   . ILE   A 1 130 ? -20.526 -11.252 -18.318 1.00 11.31 ? 136 ILE   B N   1 
ATOM   1122 C CA  . ILE   A 1 130 ? -20.768 -12.522 -19.062 1.00 11.07 ? 136 ILE   B CA  1 
ATOM   1123 C C   . ILE   A 1 130 ? -19.445 -12.996 -19.646 1.00 11.93 ? 136 ILE   B C   1 
ATOM   1124 O O   . ILE   A 1 130 ? -18.770 -12.231 -20.334 1.00 11.93 ? 136 ILE   B O   1 
ATOM   1125 C CB  . ILE   A 1 130 ? -21.812 -12.289 -20.168 1.00 11.90 ? 136 ILE   B CB  1 
ATOM   1126 C CG1 . ILE   A 1 130 ? -23.102 -11.757 -19.551 1.00 13.57 ? 136 ILE   B CG1 1 
ATOM   1127 C CG2 . ILE   A 1 130 ? -22.062 -13.557 -20.975 1.00 13.39 ? 136 ILE   B CG2 1 
ATOM   1128 C CD1 . ILE   A 1 130 ? -24.138 -11.362 -20.520 1.00 16.15 ? 136 ILE   B CD1 1 
ATOM   1129 N N   . PHE   A 1 131 ? -19.099 -14.222 -19.321 1.00 11.30 ? 137 PHE   B N   1 
ATOM   1130 C CA  . PHE   A 1 131 ? -17.855 -14.875 -19.779 1.00 11.00 ? 137 PHE   B CA  1 
ATOM   1131 C C   . PHE   A 1 131 ? -18.225 -16.109 -20.568 1.00 10.70 ? 137 PHE   B C   1 
ATOM   1132 O O   . PHE   A 1 131 ? -18.997 -16.966 -20.108 1.00 11.68 ? 137 PHE   B O   1 
ATOM   1133 C CB  . PHE   A 1 131 ? -16.989 -15.291 -18.600 1.00 12.25 ? 137 PHE   B CB  1 
ATOM   1134 C CG  . PHE   A 1 131 ? -15.730 -16.040 -18.964 1.00 13.16 ? 137 PHE   B CG  1 
ATOM   1135 C CD1 . PHE   A 1 131 ? -14.735 -15.418 -19.682 1.00 15.39 ? 137 PHE   B CD1 1 
ATOM   1136 C CD2 . PHE   A 1 131 ? -15.568 -17.373 -18.626 1.00 14.75 ? 137 PHE   B CD2 1 
ATOM   1137 C CE1 . PHE   A 1 131 ? -13.565 -16.113 -19.998 1.00 17.45 ? 137 PHE   B CE1 1 
ATOM   1138 C CE2 . PHE   A 1 131 ? -14.424 -18.083 -18.987 1.00 16.25 ? 137 PHE   B CE2 1 
ATOM   1139 C CZ  . PHE   A 1 131 ? -13.425 -17.440 -19.654 1.00 15.31 ? 137 PHE   B CZ  1 
ATOM   1140 N N   . VAL   A 1 132 ? -17.644 -16.214 -21.773 1.00 10.97 ? 138 VAL   B N   1 
ATOM   1141 C CA  . VAL   A 1 132 ? -17.786 -17.405 -22.645 1.00 11.78 ? 138 VAL   B CA  1 
ATOM   1142 C C   . VAL   A 1 132 ? -16.410 -18.002 -22.924 1.00 11.03 ? 138 VAL   B C   1 
ATOM   1143 O O   . VAL   A 1 132 ? -15.530 -17.310 -23.405 1.00 12.62 ? 138 VAL   B O   1 
ATOM   1144 C CB  . VAL   A 1 132 ? -18.524 -17.062 -23.958 1.00 11.41 ? 138 VAL   B CB  1 
ATOM   1145 C CG1 . VAL   A 1 132 ? -18.675 -18.324 -24.808 1.00 13.83 ? 138 VAL   B CG1 1 
ATOM   1146 C CG2 . VAL   A 1 132 ? -19.892 -16.432 -23.676 1.00 12.61 ? 138 VAL   B CG2 1 
ATOM   1147 N N   . ASP   A 1 133 ? -16.275 -19.289 -22.637 1.00 11.29 ? 139 ASP   B N   1 
ATOM   1148 C CA  . ASP   A 1 133 ? -15.091 -20.080 -23.077 1.00 13.05 ? 139 ASP   B CA  1 
ATOM   1149 C C   . ASP   A 1 133 ? -15.607 -21.096 -24.093 1.00 11.25 ? 139 ASP   B C   1 
ATOM   1150 O O   . ASP   A 1 133 ? -16.248 -22.103 -23.748 1.00 11.86 ? 139 ASP   B O   1 
ATOM   1151 C CB  . ASP   A 1 133 ? -14.339 -20.674 -21.909 1.00 12.80 ? 139 ASP   B CB  1 
ATOM   1152 C CG  . ASP   A 1 133 ? -13.081 -21.449 -22.297 1.00 15.81 ? 139 ASP   B CG  1 
ATOM   1153 O OD1 . ASP   A 1 133 ? -12.978 -21.890 -23.485 1.00 16.79 ? 139 ASP   B OD1 1 
ATOM   1154 O OD2 . ASP   A 1 133 ? -12.269 -21.631 -21.347 1.00 20.63 ? 139 ASP   B OD2 1 
ATOM   1155 N N   . TYR   A 1 134 ? -15.369 -20.803 -25.383 1.00 12.53 ? 140 TYR   B N   1 
ATOM   1156 C CA  . TYR   A 1 134 ? -15.948 -21.619 -26.465 1.00 12.15 ? 140 TYR   B CA  1 
ATOM   1157 C C   . TYR   A 1 134 ? -15.437 -23.065 -26.392 1.00 12.24 ? 140 TYR   B C   1 
ATOM   1158 O O   . TYR   A 1 134 ? -16.205 -24.006 -26.370 1.00 14.10 ? 140 TYR   B O   1 
ATOM   1159 C CB  . TYR   A 1 134 ? -15.686 -20.997 -27.846 1.00 12.39 ? 140 TYR   B CB  1 
ATOM   1160 C CG  . TYR   A 1 134 ? -16.614 -21.590 -28.891 1.00 12.73 ? 140 TYR   B CG  1 
ATOM   1161 C CD1 . TYR   A 1 134 ? -16.460 -22.880 -29.389 1.00 12.57 ? 140 TYR   B CD1 1 
ATOM   1162 C CD2 . TYR   A 1 134 ? -17.766 -20.920 -29.282 1.00 12.71 ? 140 TYR   B CD2 1 
ATOM   1163 C CE1 . TYR   A 1 134 ? -17.348 -23.449 -30.274 1.00 12.78 ? 140 TYR   B CE1 1 
ATOM   1164 C CE2 . TYR   A 1 134 ? -18.671 -21.486 -30.176 1.00 12.78 ? 140 TYR   B CE2 1 
ATOM   1165 C CZ  . TYR   A 1 134 ? -18.482 -22.759 -30.679 1.00 12.61 ? 140 TYR   B CZ  1 
ATOM   1166 O OH  . TYR   A 1 134 ? -19.368 -23.381 -31.519 1.00 12.71 ? 140 TYR   B OH  1 
ATOM   1167 N N   . GLU   A 1 135 ? -14.128 -23.212 -26.304 1.00 15.13 ? 141 GLU   B N   1 
ATOM   1168 C CA  . GLU   A 1 135 ? -13.486 -24.555 -26.333 1.00 16.01 ? 141 GLU   B CA  1 
ATOM   1169 C C   . GLU   A 1 135 ? -13.922 -25.365 -25.127 1.00 14.97 ? 141 GLU   B C   1 
ATOM   1170 O O   . GLU   A 1 135 ? -14.265 -26.556 -25.296 1.00 17.30 ? 141 GLU   B O   1 
ATOM   1171 C CB  . GLU   A 1 135 ? -11.974 -24.408 -26.399 1.00 17.07 ? 141 GLU   B CB  1 
ATOM   1172 C CG  . GLU   A 1 135 ? -11.517 -24.194 -27.850 1.00 22.99 ? 141 GLU   B CG  1 
ATOM   1173 C CD  . GLU   A 1 135 ? -11.931 -22.905 -28.471 1.00 27.48 ? 141 GLU   B CD  1 
ATOM   1174 O OE1 . GLU   A 1 135 ? -12.180 -22.901 -29.648 1.00 26.42 ? 141 GLU   B OE1 1 
ATOM   1175 O OE2 . GLU   A 1 135 ? -11.990 -21.896 -27.728 1.00 31.03 ? 141 GLU   B OE2 1 
ATOM   1176 N N   . ALA   A 1 136 ? -13.986 -24.758 -23.942 1.00 13.61 ? 142 ALA   B N   1 
ATOM   1177 C CA  . ALA   A 1 136 ? -14.353 -25.444 -22.710 1.00 14.72 ? 142 ALA   B CA  1 
ATOM   1178 C C   . ALA   A 1 136 ? -15.855 -25.748 -22.652 1.00 14.68 ? 142 ALA   B C   1 
ATOM   1179 O O   . ALA   A 1 136 ? -16.251 -26.625 -21.852 1.00 16.85 ? 142 ALA   B O   1 
ATOM   1180 C CB  . ALA   A 1 136 ? -13.910 -24.634 -21.514 1.00 16.41 ? 142 ALA   B CB  1 
ATOM   1181 N N   . GLY   A 1 137 ? -16.709 -25.080 -23.437 1.00 12.29 ? 143 GLY   B N   1 
ATOM   1182 C CA  . GLY   A 1 137 ? -18.154 -25.221 -23.325 1.00 12.10 ? 143 GLY   B CA  1 
ATOM   1183 C C   . GLY   A 1 137 ? -18.686 -24.609 -22.016 1.00 11.31 ? 143 GLY   B C   1 
ATOM   1184 O O   . GLY   A 1 137 ? -19.461 -25.294 -21.345 1.00 12.60 ? 143 GLY   B O   1 
ATOM   1185 N N   . VAL   A 1 138 ? -18.307 -23.378 -21.726 1.00 11.57 ? 144 VAL   B N   1 
ATOM   1186 C CA  . VAL   A 1 138 ? -18.670 -22.677 -20.454 1.00 11.63 ? 144 VAL   B CA  1 
ATOM   1187 C C   . VAL   A 1 138 ? -19.276 -21.322 -20.791 1.00 11.65 ? 144 VAL   B C   1 
ATOM   1188 O O   . VAL   A 1 138 ? -18.689 -20.545 -21.563 1.00 12.14 ? 144 VAL   B O   1 
ATOM   1189 C CB  . VAL   A 1 138 ? -17.427 -22.514 -19.566 1.00 12.99 ? 144 VAL   B CB  1 
ATOM   1190 C CG1 . VAL   A 1 138 ? -17.704 -21.573 -18.393 1.00 13.42 ? 144 VAL   B CG1 1 
ATOM   1191 C CG2 . VAL   A 1 138 ? -16.972 -23.890 -19.090 1.00 14.21 ? 144 VAL   B CG2 1 
ATOM   1192 N N   . VAL   A 1 139 ? -20.386 -21.020 -20.109 1.00 10.92 ? 145 VAL   B N   1 
ATOM   1193 C CA  . VAL   A 1 139 ? -20.924 -19.637 -20.017 1.00 10.27 ? 145 VAL   B CA  1 
ATOM   1194 C C   . VAL   A 1 139 ? -21.109 -19.297 -18.527 1.00 9.70  ? 145 VAL   B C   1 
ATOM   1195 O O   . VAL   A 1 139 ? -21.895 -20.005 -17.862 1.00 11.14 ? 145 VAL   B O   1 
ATOM   1196 C CB  . VAL   A 1 139 ? -22.253 -19.505 -20.791 1.00 10.17 ? 145 VAL   B CB  1 
ATOM   1197 C CG1 . VAL   A 1 139 ? -22.729 -18.045 -20.769 1.00 10.65 ? 145 VAL   B CG1 1 
ATOM   1198 C CG2 . VAL   A 1 139 ? -22.127 -20.028 -22.211 1.00 10.43 ? 145 VAL   B CG2 1 
ATOM   1199 N N   . SER   A 1 140 ? -20.484 -18.234 -18.076 1.00 9.68  ? 146 SER   B N   1 
ATOM   1200 C CA  . SER   A 1 140 ? -20.578 -17.844 -16.657 1.00 10.45 ? 146 SER   B CA  1 
ATOM   1201 C C   . SER   A 1 140 ? -21.037 -16.391 -16.567 1.00 10.38 ? 146 SER   B C   1 
ATOM   1202 O O   . SER   A 1 140 ? -20.707 -15.557 -17.372 1.00 11.61 ? 146 SER   B O   1 
ATOM   1203 C CB  . SER   A 1 140 ? -19.234 -18.031 -15.981 1.00 11.02 ? 146 SER   B CB  1 
ATOM   1204 O OG  . SER   A 1 140 ? -18.892 -19.416 -15.845 1.00 12.10 ? 146 SER   B OG  1 
ATOM   1205 N N   . PHE   A 1 141 ? -21.721 -16.113 -15.458 1.00 10.16 ? 147 PHE   B N   1 
ATOM   1206 C CA  . PHE   A 1 141 ? -22.338 -14.818 -15.146 1.00 9.74  ? 147 PHE   B CA  1 
ATOM   1207 C C   . PHE   A 1 141 ? -21.808 -14.351 -13.797 1.00 9.89  ? 147 PHE   B C   1 
ATOM   1208 O O   . PHE   A 1 141 ? -21.827 -15.145 -12.805 1.00 10.78 ? 147 PHE   B O   1 
ATOM   1209 C CB  . PHE   A 1 141 ? -23.878 -14.909 -15.123 1.00 9.94  ? 147 PHE   B CB  1 
ATOM   1210 C CG  . PHE   A 1 141 ? -24.440 -15.311 -16.462 1.00 9.85  ? 147 PHE   B CG  1 
ATOM   1211 C CD1 . PHE   A 1 141 ? -24.561 -16.658 -16.817 1.00 9.54  ? 147 PHE   B CD1 1 
ATOM   1212 C CD2 . PHE   A 1 141 ? -24.965 -14.346 -17.325 1.00 9.89  ? 147 PHE   B CD2 1 
ATOM   1213 C CE1 . PHE   A 1 141 ? -25.030 -17.002 -18.083 1.00 10.15 ? 147 PHE   B CE1 1 
ATOM   1214 C CE2 . PHE   A 1 141 ? -25.471 -14.725 -18.573 1.00 9.47  ? 147 PHE   B CE2 1 
ATOM   1215 C CZ  . PHE   A 1 141 ? -25.539 -16.050 -18.928 1.00 9.54  ? 147 PHE   B CZ  1 
ATOM   1216 N N   . TYR   A 1 142 ? -21.468 -13.072 -13.702 1.00 10.46 ? 148 TYR   B N   1 
ATOM   1217 C CA  . TYR   A 1 142 ? -20.822 -12.454 -12.520 1.00 11.84 ? 148 TYR   B CA  1 
ATOM   1218 C C   . TYR   A 1 142 ? -21.609 -11.215 -12.102 1.00 12.51 ? 148 TYR   B C   1 
ATOM   1219 O O   . TYR   A 1 142 ? -22.063 -10.420 -12.907 1.00 12.68 ? 148 TYR   B O   1 
ATOM   1220 C CB  . TYR   A 1 142 ? -19.352 -12.160 -12.798 1.00 12.45 ? 148 TYR   B CB  1 
ATOM   1221 C CG  . TYR   A 1 142 ? -18.555 -13.404 -13.085 1.00 12.44 ? 148 TYR   B CG  1 
ATOM   1222 C CD1 . TYR   A 1 142 ? -18.064 -14.191 -12.067 1.00 13.28 ? 148 TYR   B CD1 1 
ATOM   1223 C CD2 . TYR   A 1 142 ? -18.382 -13.866 -14.374 1.00 13.41 ? 148 TYR   B CD2 1 
ATOM   1224 C CE1 . TYR   A 1 142 ? -17.388 -15.373 -12.319 1.00 13.68 ? 148 TYR   B CE1 1 
ATOM   1225 C CE2 . TYR   A 1 142 ? -17.693 -15.041 -14.658 1.00 13.26 ? 148 TYR   B CE2 1 
ATOM   1226 C CZ  . TYR   A 1 142 ? -17.148 -15.788 -13.624 1.00 13.65 ? 148 TYR   B CZ  1 
ATOM   1227 O OH  . TYR   A 1 142 ? -16.505 -17.001 -13.869 1.00 16.96 ? 148 TYR   B OH  1 
ATOM   1228 N N   . ASN   A 1 143 ? -21.654 -10.993 -10.789 1.00 13.26 ? 149 ASN   B N   1 
ATOM   1229 C CA  . ASN   A 1 143 ? -22.341 -9.819  -10.173 1.00 13.25 ? 149 ASN   B CA  1 
ATOM   1230 C C   . ASN   A 1 143 ? -21.302 -8.708  -9.991  1.00 13.43 ? 149 ASN   B C   1 
ATOM   1231 O O   . ASN   A 1 143 ? -20.535 -8.743  -8.985  1.00 14.69 ? 149 ASN   B O   1 
ATOM   1232 C CB  . ASN   A 1 143 ? -22.971 -10.260 -8.859  1.00 12.88 ? 149 ASN   B CB  1 
ATOM   1233 C CG  . ASN   A 1 143 ? -23.792 -9.166  -8.182  1.00 13.07 ? 149 ASN   B CG  1 
ATOM   1234 O OD1 . ASN   A 1 143 ? -23.621 -8.002  -8.547  1.00 15.00 ? 149 ASN   B OD1 1 
ATOM   1235 N ND2 . ASN   A 1 143 ? -24.682 -9.542  -7.305  1.00 14.50 ? 149 ASN   B ND2 1 
ATOM   1236 N N   . ILE   A 1 144 ? -21.246 -7.713  -10.867 1.00 14.64 ? 150 ILE   B N   1 
ATOM   1237 C CA  . ILE   A 1 144 ? -20.170 -6.696  -10.842 1.00 15.34 ? 150 ILE   B CA  1 
ATOM   1238 C C   . ILE   A 1 144 ? -20.419 -5.825  -9.590  1.00 17.57 ? 150 ILE   B C   1 
ATOM   1239 O O   . ILE   A 1 144 ? -19.424 -5.343  -9.003  1.00 19.59 ? 150 ILE   B O   1 
ATOM   1240 C CB  . ILE   A 1 144 ? -20.170 -5.884  -12.147 1.00 16.99 ? 150 ILE   B CB  1 
ATOM   1241 C CG1 . ILE   A 1 144 ? -19.971 -6.751  -13.393 1.00 18.14 ? 150 ILE   B CG1 1 
ATOM   1242 C CG2 . ILE   A 1 144 ? -19.156 -4.747  -12.108 1.00 18.49 ? 150 ILE   B CG2 1 
ATOM   1243 C CD1 . ILE   A 1 144 ? -18.922 -7.803  -13.245 1.00 22.51 ? 150 ILE   B CD1 1 
ATOM   1244 N N   . THR   A 1 145 ? -21.667 -5.628  -9.196  1.00 16.90 ? 151 THR   B N   1 
ATOM   1245 C CA  . THR   A 1 145 ? -22.050 -4.771  -8.018  1.00 17.14 ? 151 THR   B CA  1 
ATOM   1246 C C   . THR   A 1 145 ? -21.506 -5.411  -6.741  1.00 21.21 ? 151 THR   B C   1 
ATOM   1247 O O   . THR   A 1 145 ? -21.116 -4.662  -5.820  1.00 25.64 ? 151 THR   B O   1 
ATOM   1248 C CB  . THR   A 1 145 ? -23.579 -4.608  -7.959  1.00 16.58 ? 151 THR   B CB  1 
ATOM   1249 O OG1 . THR   A 1 145 ? -24.017 -4.178  -9.242  1.00 16.88 ? 151 THR   B OG1 1 
ATOM   1250 C CG2 . THR   A 1 145 ? -23.982 -3.600  -6.905  1.00 19.07 ? 151 THR   B CG2 1 
ATOM   1251 N N   . ASP   A 1 146 ? -21.409 -6.735  -6.677  1.00 18.86 ? 152 ASP   B N   1 
ATOM   1252 C CA  . ASP   A 1 146 ? -20.905 -7.494  -5.498  1.00 19.39 ? 152 ASP   B CA  1 
ATOM   1253 C C   . ASP   A 1 146 ? -19.487 -8.030  -5.754  1.00 19.88 ? 152 ASP   B C   1 
ATOM   1254 O O   . ASP   A 1 146 ? -19.291 -9.245  -5.609  1.00 20.16 ? 152 ASP   B O   1 
ATOM   1255 C CB  . ASP   A 1 146 ? -21.949 -8.500  -5.102  1.00 18.70 ? 152 ASP   B CB  1 
ATOM   1256 C CG  . ASP   A 1 146 ? -21.558 -9.314  -3.883  1.00 23.77 ? 152 ASP   B CG  1 
ATOM   1257 O OD1 . ASP   A 1 146 ? -21.059 -8.708  -2.921  1.00 24.97 ? 152 ASP   B OD1 1 
ATOM   1258 O OD2 . ASP   A 1 146 ? -21.707 -10.550 -3.939  1.00 23.32 ? 152 ASP   B OD2 1 
ATOM   1259 N N   . HIS   A 1 147 ? -18.551 -7.166  -6.137  1.00 21.84 ? 153 HIS   B N   1 
ATOM   1260 C CA  . HIS   A 1 147 ? -17.106 -7.493  -6.291  1.00 25.58 ? 153 HIS   B CA  1 
ATOM   1261 C C   . HIS   A 1 147 ? -16.938 -8.692  -7.242  1.00 25.97 ? 153 HIS   B C   1 
ATOM   1262 O O   . HIS   A 1 147 ? -16.024 -9.506  -7.058  1.00 26.10 ? 153 HIS   B O   1 
ATOM   1263 C CB  . HIS   A 1 147 ? -16.438 -7.850  -4.946  1.00 30.99 ? 153 HIS   B CB  1 
ATOM   1264 C CG  . HIS   A 1 147 ? -16.761 -6.992  -3.761  1.00 38.18 ? 153 HIS   B CG  1 
ATOM   1265 N ND1 . HIS   A 1 147 ? -16.167 -5.757  -3.554  1.00 43.39 ? 153 HIS   B ND1 1 
ATOM   1266 C CD2 . HIS   A 1 147 ? -17.553 -7.222  -2.688  1.00 41.75 ? 153 HIS   B CD2 1 
ATOM   1267 C CE1 . HIS   A 1 147 ? -16.611 -5.239  -2.423  1.00 47.83 ? 153 HIS   B CE1 1 
ATOM   1268 N NE2 . HIS   A 1 147 ? -17.460 -6.126  -1.863  1.00 45.18 ? 153 HIS   B NE2 1 
ATOM   1269 N N   . GLY   A 1 148 ? -17.799 -8.838  -8.240  1.00 20.08 ? 154 GLY   B N   1 
ATOM   1270 C CA  . GLY   A 1 148 ? -17.556 -9.868  -9.272  1.00 17.54 ? 154 GLY   B CA  1 
ATOM   1271 C C   . GLY   A 1 148 ? -18.004 -11.257 -8.859  1.00 16.03 ? 154 GLY   B C   1 
ATOM   1272 O O   . GLY   A 1 148 ? -17.470 -12.188 -9.430  1.00 16.49 ? 154 GLY   B O   1 
ATOM   1273 N N   . SER   A 1 149 ? -18.829 -11.409 -7.845  1.00 14.95 ? 155 SER   B N   1 
ATOM   1274 C CA  . SER   A 1 149 ? -19.185 -12.744 -7.308  1.00 13.27 ? 155 SER   B CA  1 
ATOM   1275 C C   . SER   A 1 149 ? -19.887 -13.584 -8.385  1.00 14.24 ? 155 SER   B C   1 
ATOM   1276 O O   . SER   A 1 149 ? -20.680 -13.052 -9.195  1.00 13.33 ? 155 SER   B O   1 
ATOM   1277 C CB  . SER   A 1 149 ? -20.019 -12.628 -6.049  1.00 14.33 ? 155 SER   B CB  1 
ATOM   1278 O OG  . SER   A 1 149 ? -21.233 -11.908 -6.231  1.00 15.79 ? 155 SER   B OG  1 
ATOM   1279 N N   . LEU   A 1 150 ? -19.657 -14.874 -8.387  1.00 13.22 ? 156 LEU   B N   1 
ATOM   1280 C CA  . LEU   A 1 150 ? -20.337 -15.779 -9.351  1.00 11.71 ? 156 LEU   B CA  1 
ATOM   1281 C C   . LEU   A 1 150 ? -21.836 -15.835 -9.097  1.00 11.36 ? 156 LEU   B C   1 
ATOM   1282 O O   . LEU   A 1 150 ? -22.316 -16.056 -7.966  1.00 12.12 ? 156 LEU   B O   1 
ATOM   1283 C CB  . LEU   A 1 150 ? -19.744 -17.190 -9.195  1.00 12.43 ? 156 LEU   B CB  1 
ATOM   1284 C CG  . LEU   A 1 150 ? -20.278 -18.251 -10.175 1.00 12.39 ? 156 LEU   B CG  1 
ATOM   1285 C CD1 . LEU   A 1 150 ? -19.900 -17.958 -11.623 1.00 12.62 ? 156 LEU   B CD1 1 
ATOM   1286 C CD2 . LEU   A 1 150 ? -19.718 -19.638 -9.779  1.00 13.55 ? 156 LEU   B CD2 1 
ATOM   1287 N N   . ILE   A 1 151 ? -22.602 -15.723 -10.184 1.00 10.82 ? 157 ILE   B N   1 
ATOM   1288 C CA  . ILE   A 1 151 ? -24.046 -15.923 -10.210 1.00 11.29 ? 157 ILE   B CA  1 
ATOM   1289 C C   . ILE   A 1 151 ? -24.359 -17.342 -10.660 1.00 10.44 ? 157 ILE   B C   1 
ATOM   1290 O O   . ILE   A 1 151 ? -25.174 -18.038 -10.077 1.00 10.81 ? 157 ILE   B O   1 
ATOM   1291 C CB  . ILE   A 1 151 ? -24.708 -14.846 -11.086 1.00 11.53 ? 157 ILE   B CB  1 
ATOM   1292 C CG1 . ILE   A 1 151 ? -24.514 -13.450 -10.495 1.00 12.24 ? 157 ILE   B CG1 1 
ATOM   1293 C CG2 . ILE   A 1 151 ? -26.188 -15.160 -11.274 1.00 11.53 ? 157 ILE   B CG2 1 
ATOM   1294 C CD1 . ILE   A 1 151 ? -24.976 -12.325 -11.421 1.00 13.46 ? 157 ILE   B CD1 1 
ATOM   1295 N N   . TYR   A 1 152 ? -23.820 -17.747 -11.827 1.00 9.91  ? 158 TYR   B N   1 
ATOM   1296 C CA  . TYR   A 1 152 ? -24.210 -19.045 -12.411 1.00 9.53  ? 158 TYR   B CA  1 
ATOM   1297 C C   . TYR   A 1 152 ? -23.171 -19.434 -13.478 1.00 9.55  ? 158 TYR   B C   1 
ATOM   1298 O O   . TYR   A 1 152 ? -22.682 -18.553 -14.199 1.00 10.24 ? 158 TYR   B O   1 
ATOM   1299 C CB  . TYR   A 1 152 ? -25.590 -18.973 -13.125 1.00 9.95  ? 158 TYR   B CB  1 
ATOM   1300 C CG  . TYR   A 1 152 ? -26.124 -20.319 -13.491 1.00 9.83  ? 158 TYR   B CG  1 
ATOM   1301 C CD1 . TYR   A 1 152 ? -26.753 -21.122 -12.544 1.00 10.32 ? 158 TYR   B CD1 1 
ATOM   1302 C CD2 . TYR   A 1 152 ? -26.015 -20.833 -14.785 1.00 9.60  ? 158 TYR   B CD2 1 
ATOM   1303 C CE1 . TYR   A 1 152 ? -27.183 -22.399 -12.849 1.00 11.12 ? 158 TYR   B CE1 1 
ATOM   1304 C CE2 . TYR   A 1 152 ? -26.446 -22.105 -15.094 1.00 10.49 ? 158 TYR   B CE2 1 
ATOM   1305 C CZ  . TYR   A 1 152 ? -27.030 -22.887 -14.135 1.00 10.74 ? 158 TYR   B CZ  1 
ATOM   1306 O OH  . TYR   A 1 152 ? -27.439 -24.173 -14.387 1.00 13.31 ? 158 TYR   B OH  1 
ATOM   1307 N N   . THR   A 1 153 ? -22.903 -20.737 -13.571 1.00 9.86  ? 159 THR   B N   1 
ATOM   1308 C CA  . THR   A 1 153 ? -22.073 -21.341 -14.632 1.00 10.36 ? 159 THR   B CA  1 
ATOM   1309 C C   . THR   A 1 153 ? -22.843 -22.448 -15.316 1.00 9.98  ? 159 THR   B C   1 
ATOM   1310 O O   . THR   A 1 153 ? -23.228 -23.457 -14.711 1.00 11.14 ? 159 THR   B O   1 
ATOM   1311 C CB  . THR   A 1 153 ? -20.740 -21.885 -14.087 1.00 11.28 ? 159 THR   B CB  1 
ATOM   1312 O OG1 . THR   A 1 153 ? -19.943 -20.783 -13.681 1.00 11.44 ? 159 THR   B OG1 1 
ATOM   1313 C CG2 . THR   A 1 153 ? -19.992 -22.696 -15.127 1.00 12.26 ? 159 THR   B CG2 1 
ATOM   1314 N N   . PHE   A 1 154 ? -23.044 -22.285 -16.637 1.00 9.95  ? 160 PHE   B N   1 
ATOM   1315 C CA  . PHE   A 1 154 ? -23.454 -23.386 -17.538 1.00 10.07 ? 160 PHE   B CA  1 
ATOM   1316 C C   . PHE   A 1 154 ? -22.152 -24.076 -17.978 1.00 10.67 ? 160 PHE   B C   1 
ATOM   1317 O O   . PHE   A 1 154 ? -21.284 -23.418 -18.562 1.00 10.63 ? 160 PHE   B O   1 
ATOM   1318 C CB  . PHE   A 1 154 ? -24.132 -22.885 -18.816 1.00 10.40 ? 160 PHE   B CB  1 
ATOM   1319 C CG  . PHE   A 1 154 ? -25.496 -22.263 -18.646 1.00 8.68  ? 160 PHE   B CG  1 
ATOM   1320 C CD1 . PHE   A 1 154 ? -25.654 -20.894 -18.405 1.00 8.72  ? 160 PHE   B CD1 1 
ATOM   1321 C CD2 . PHE   A 1 154 ? -26.633 -23.003 -18.872 1.00 8.84  ? 160 PHE   B CD2 1 
ATOM   1322 C CE1 . PHE   A 1 154 ? -26.925 -20.357 -18.310 1.00 9.45  ? 160 PHE   B CE1 1 
ATOM   1323 C CE2 . PHE   A 1 154 ? -27.909 -22.455 -18.758 1.00 9.36  ? 160 PHE   B CE2 1 
ATOM   1324 C CZ  . PHE   A 1 154 ? -28.034 -21.127 -18.505 1.00 9.02  ? 160 PHE   B CZ  1 
ATOM   1325 N N   . SER   A 1 155 ? -22.053 -25.376 -17.693 1.00 11.95 ? 161 SER   B N   1 
ATOM   1326 C CA  . SER   A 1 155 ? -20.912 -26.152 -18.181 1.00 13.84 ? 161 SER   B CA  1 
ATOM   1327 C C   . SER   A 1 155 ? -21.419 -27.299 -19.042 1.00 12.80 ? 161 SER   B C   1 
ATOM   1328 O O   . SER   A 1 155 ? -22.628 -27.575 -19.138 1.00 14.57 ? 161 SER   B O   1 
ATOM   1329 C CB  . SER   A 1 155 ? -20.096 -26.574 -17.002 1.00 15.45 ? 161 SER   B CB  1 
ATOM   1330 O OG  . SER   A 1 155 ? -20.776 -27.526 -16.241 1.00 18.52 ? 161 SER   B OG  1 
ATOM   1331 N N   . GLU   A 1 156 ? -20.460 -27.926 -19.745 1.00 15.51 ? 162 GLU   B N   1 
ATOM   1332 C CA  . GLU   A 1 156 ? -20.793 -29.009 -20.717 1.00 16.48 ? 162 GLU   B CA  1 
ATOM   1333 C C   . GLU   A 1 156 ? -21.756 -28.461 -21.783 1.00 15.58 ? 162 GLU   B C   1 
ATOM   1334 O O   . GLU   A 1 156 ? -22.686 -29.193 -22.223 1.00 17.75 ? 162 GLU   B O   1 
ATOM   1335 C CB  . GLU   A 1 156 ? -21.430 -30.233 -20.065 1.00 21.30 ? 162 GLU   B CB  1 
ATOM   1336 C CG  . GLU   A 1 156 ? -20.774 -30.717 -18.789 1.00 26.84 ? 162 GLU   B CG  1 
ATOM   1337 C CD  . GLU   A 1 156 ? -21.390 -32.053 -18.408 1.00 36.53 ? 162 GLU   B CD  1 
ATOM   1338 O OE1 . GLU   A 1 156 ? -22.476 -32.068 -17.778 1.00 41.00 ? 162 GLU   B OE1 1 
ATOM   1339 O OE2 . GLU   A 1 156 ? -20.858 -33.074 -18.859 1.00 43.91 ? 162 GLU   B OE2 1 
ATOM   1340 N N   . CYS   A 1 157 ? -21.568 -27.187 -22.156 1.00 13.91 ? 163 CYS   B N   1 
ATOM   1341 C CA  . CYS   A 1 157 ? -22.443 -26.549 -23.167 1.00 12.88 ? 163 CYS   B CA  1 
ATOM   1342 C C   . CYS   A 1 157 ? -22.185 -27.187 -24.538 1.00 13.88 ? 163 CYS   B C   1 
ATOM   1343 O O   . CYS   A 1 157 ? -20.988 -27.427 -24.881 1.00 15.61 ? 163 CYS   B O   1 
ATOM   1344 C CB  . CYS   A 1 157 ? -22.273 -25.037 -23.312 1.00 12.15 ? 163 CYS   B CB  1 
ATOM   1345 S SG  . CYS   A 1 157 ? -22.649 -24.139 -21.781 1.00 12.72 ? 163 CYS   B SG  1 
ATOM   1346 N N   . VAL   A 1 158 ? -23.241 -27.436 -25.275 1.00 13.53 ? 164 VAL   B N   1 
ATOM   1347 C CA  . VAL   A 1 158 ? -23.104 -27.935 -26.661 1.00 14.67 ? 164 VAL   B CA  1 
ATOM   1348 C C   . VAL   A 1 158 ? -23.557 -26.794 -27.575 1.00 13.41 ? 164 VAL   B C   1 
ATOM   1349 O O   . VAL   A 1 158 ? -24.739 -26.676 -27.950 1.00 16.03 ? 164 VAL   B O   1 
ATOM   1350 C CB  . VAL   A 1 158 ? -23.858 -29.275 -26.807 1.00 17.14 ? 164 VAL   B CB  1 
ATOM   1351 C CG1 . VAL   A 1 158 ? -23.739 -29.744 -28.259 1.00 18.06 ? 164 VAL   B CG1 1 
ATOM   1352 C CG2 . VAL   A 1 158 ? -23.310 -30.335 -25.838 1.00 18.90 ? 164 VAL   B CG2 1 
ATOM   1353 N N   . PHE   A 1 159 ? -22.647 -25.883 -27.907 1.00 12.48 ? 165 PHE   B N   1 
ATOM   1354 C CA  . PHE   A 1 159 ? -22.979 -24.647 -28.650 1.00 12.88 ? 165 PHE   B CA  1 
ATOM   1355 C C   . PHE   A 1 159 ? -23.541 -25.010 -30.029 1.00 14.83 ? 165 PHE   B C   1 
ATOM   1356 O O   . PHE   A 1 159 ? -24.517 -24.394 -30.467 1.00 14.91 ? 165 PHE   B O   1 
ATOM   1357 C CB  . PHE   A 1 159 ? -21.802 -23.688 -28.659 1.00 12.98 ? 165 PHE   B CB  1 
ATOM   1358 C CG  . PHE   A 1 159 ? -21.358 -23.202 -27.290 1.00 11.38 ? 165 PHE   B CG  1 
ATOM   1359 C CD1 . PHE   A 1 159 ? -22.294 -22.685 -26.388 1.00 12.15 ? 165 PHE   B CD1 1 
ATOM   1360 C CD2 . PHE   A 1 159 ? -20.021 -23.213 -26.920 1.00 13.20 ? 165 PHE   B CD2 1 
ATOM   1361 C CE1 . PHE   A 1 159 ? -21.883 -22.244 -25.133 1.00 11.91 ? 165 PHE   B CE1 1 
ATOM   1362 C CE2 . PHE   A 1 159 ? -19.620 -22.739 -25.682 1.00 12.87 ? 165 PHE   B CE2 1 
ATOM   1363 C CZ  . PHE   A 1 159 ? -20.552 -22.232 -24.801 1.00 11.99 ? 165 PHE   B CZ  1 
ATOM   1364 N N   . ALA   A 1 160 ? -22.850 -25.884 -30.745 1.00 12.80 ? 166 ALA   B N   1 
ATOM   1365 C CA  . ALA   A 1 160 ? -23.317 -26.449 -32.031 1.00 13.61 ? 166 ALA   B CA  1 
ATOM   1366 C C   . ALA   A 1 160 ? -23.425 -25.372 -33.111 1.00 13.44 ? 166 ALA   B C   1 
ATOM   1367 O O   . ALA   A 1 160 ? -24.220 -25.583 -34.095 1.00 15.16 ? 166 ALA   B O   1 
ATOM   1368 C CB  . ALA   A 1 160 ? -24.574 -27.228 -31.848 1.00 14.11 ? 166 ALA   B CB  1 
ATOM   1369 N N   . GLY   A 1 161 ? -22.644 -24.316 -33.029 1.00 13.57 ? 167 GLY   B N   1 
ATOM   1370 C CA  . GLY   A 1 161 ? -22.591 -23.264 -34.046 1.00 14.80 ? 167 GLY   B CA  1 
ATOM   1371 C C   . GLY   A 1 161 ? -21.968 -22.005 -33.513 1.00 13.28 ? 167 GLY   B C   1 
ATOM   1372 O O   . GLY   A 1 161 ? -21.568 -21.951 -32.318 1.00 13.33 ? 167 GLY   B O   1 
ATOM   1373 N N   . PRO   A 1 162 ? -21.869 -20.973 -34.337 1.00 12.08 ? 168 PRO   B N   1 
ATOM   1374 C CA  . PRO   A 1 162 ? -21.398 -19.681 -33.894 1.00 11.82 ? 168 PRO   B CA  1 
ATOM   1375 C C   . PRO   A 1 162 ? -22.345 -19.118 -32.816 1.00 11.92 ? 168 PRO   B C   1 
ATOM   1376 O O   . PRO   A 1 162 ? -23.552 -19.376 -32.872 1.00 12.33 ? 168 PRO   B O   1 
ATOM   1377 C CB  . PRO   A 1 162 ? -21.371 -18.786 -35.129 1.00 12.25 ? 168 PRO   B CB  1 
ATOM   1378 C CG  . PRO   A 1 162 ? -21.516 -19.774 -36.283 1.00 12.58 ? 168 PRO   B CG  1 
ATOM   1379 C CD  . PRO   A 1 162 ? -22.225 -20.975 -35.769 1.00 11.56 ? 168 PRO   B CD  1 
ATOM   1380 N N   . LEU   A 1 163 ? -21.768 -18.362 -31.894 1.00 11.44 ? 169 LEU   B N   1 
ATOM   1381 C CA  . LEU   A 1 163 ? -22.547 -17.729 -30.785 1.00 11.44 ? 169 LEU   B CA  1 
ATOM   1382 C C   . LEU   A 1 163 ? -22.651 -16.231 -31.014 1.00 11.78 ? 169 LEU   B C   1 
ATOM   1383 O O   . LEU   A 1 163 ? -21.715 -15.594 -31.502 1.00 13.02 ? 169 LEU   B O   1 
ATOM   1384 C CB  . LEU   A 1 163 ? -21.854 -17.984 -29.441 1.00 11.67 ? 169 LEU   B CB  1 
ATOM   1385 C CG  . LEU   A 1 163 ? -21.883 -19.420 -28.919 1.00 12.29 ? 169 LEU   B CG  1 
ATOM   1386 C CD1 . LEU   A 1 163 ? -21.044 -19.486 -27.663 1.00 12.84 ? 169 LEU   B CD1 1 
ATOM   1387 C CD2 . LEU   A 1 163 ? -23.313 -19.897 -28.684 1.00 13.06 ? 169 LEU   B CD2 1 
ATOM   1388 N N   . ARG   A 1 164 ? -23.791 -15.669 -30.600 1.00 11.10 ? 170 ARG   B N   1 
ATOM   1389 C CA  . ARG   A 1 164 ? -24.015 -14.218 -30.590 1.00 11.13 ? 170 ARG   B CA  1 
ATOM   1390 C C   . ARG   A 1 164 ? -24.426 -13.737 -29.198 1.00 9.57  ? 170 ARG   B C   1 
ATOM   1391 O O   . ARG   A 1 164 ? -25.186 -14.435 -28.530 1.00 10.23 ? 170 ARG   B O   1 
ATOM   1392 C CB  . ARG   A 1 164 ? -25.081 -13.841 -31.621 1.00 12.31 ? 170 ARG   B CB  1 
ATOM   1393 C CG  . ARG   A 1 164 ? -24.600 -14.194 -33.036 1.00 14.44 ? 170 ARG   B CG  1 
ATOM   1394 C CD  . ARG   A 1 164 ? -25.482 -13.821 -34.174 1.00 16.75 ? 170 ARG   B CD  1 
ATOM   1395 N NE  . ARG   A 1 164 ? -25.545 -12.373 -34.267 1.00 15.82 ? 170 ARG   B NE  1 
ATOM   1396 C CZ  . ARG   A 1 164 ? -26.250 -11.750 -35.192 1.00 16.53 ? 170 ARG   B CZ  1 
ATOM   1397 N NH1 . ARG   A 1 164 ? -26.854 -12.461 -36.116 1.00 17.31 ? 170 ARG   B NH1 1 
ATOM   1398 N NH2 . ARG   A 1 164 ? -26.297 -10.428 -35.188 1.00 15.69 ? 170 ARG   B NH2 1 
ATOM   1399 N N   . PRO   A 1 165 ? -23.977 -12.544 -28.771 1.00 9.89  ? 171 PRO   B N   1 
ATOM   1400 C CA  . PRO   A 1 165 ? -24.514 -11.949 -27.534 1.00 9.57  ? 171 PRO   B CA  1 
ATOM   1401 C C   . PRO   A 1 165 ? -26.032 -11.779 -27.684 1.00 9.41  ? 171 PRO   B C   1 
ATOM   1402 O O   . PRO   A 1 165 ? -26.520 -11.446 -28.767 1.00 9.87  ? 171 PRO   B O   1 
ATOM   1403 C CB  . PRO   A 1 165 ? -23.821 -10.596 -27.439 1.00 9.96  ? 171 PRO   B CB  1 
ATOM   1404 C CG  . PRO   A 1 165 ? -22.525 -10.800 -28.230 1.00 11.81 ? 171 PRO   B CG  1 
ATOM   1405 C CD  . PRO   A 1 165 ? -22.972 -11.667 -29.380 1.00 11.95 ? 171 PRO   B CD  1 
ATOM   1406 N N   . PHE   A 1 166 ? -26.767 -12.061 -26.614 1.00 8.82  ? 172 PHE   B N   1 
ATOM   1407 C CA  . PHE   A 1 166 ? -28.236 -12.085 -26.595 1.00 9.22  ? 172 PHE   B CA  1 
ATOM   1408 C C   . PHE   A 1 166 ? -28.761 -11.149 -25.502 1.00 8.15  ? 172 PHE   B C   1 
ATOM   1409 O O   . PHE   A 1 166 ? -28.283 -11.151 -24.354 1.00 8.83  ? 172 PHE   B O   1 
ATOM   1410 C CB  . PHE   A 1 166 ? -28.731 -13.506 -26.338 1.00 9.62  ? 172 PHE   B CB  1 
ATOM   1411 C CG  . PHE   A 1 166 ? -30.227 -13.594 -26.146 1.00 10.05 ? 172 PHE   B CG  1 
ATOM   1412 C CD1 . PHE   A 1 166 ? -31.067 -13.594 -27.249 1.00 10.90 ? 172 PHE   B CD1 1 
ATOM   1413 C CD2 . PHE   A 1 166 ? -30.802 -13.628 -24.882 1.00 11.04 ? 172 PHE   B CD2 1 
ATOM   1414 C CE1 . PHE   A 1 166 ? -32.452 -13.652 -27.079 1.00 11.34 ? 172 PHE   B CE1 1 
ATOM   1415 C CE2 . PHE   A 1 166 ? -32.172 -13.653 -24.724 1.00 10.89 ? 172 PHE   B CE2 1 
ATOM   1416 C CZ  . PHE   A 1 166 ? -32.996 -13.663 -25.821 1.00 11.27 ? 172 PHE   B CZ  1 
ATOM   1417 N N   . PHE   A 1 167 ? -29.847 -10.398 -25.825 1.00 8.75  ? 173 PHE   B N   1 
ATOM   1418 C CA  . PHE   A 1 167 ? -30.454 -9.379  -24.930 1.00 9.04  ? 173 PHE   B CA  1 
ATOM   1419 C C   . PHE   A 1 167 ? -31.971 -9.439  -25.057 1.00 9.67  ? 173 PHE   B C   1 
ATOM   1420 O O   . PHE   A 1 167 ? -32.479 -9.488  -26.183 1.00 10.16 ? 173 PHE   B O   1 
ATOM   1421 C CB  . PHE   A 1 167 ? -29.992 -7.956  -25.321 1.00 9.16  ? 173 PHE   B CB  1 
ATOM   1422 C CG  . PHE   A 1 167 ? -28.487 -7.790  -25.433 1.00 9.46  ? 173 PHE   B CG  1 
ATOM   1423 C CD1 . PHE   A 1 167 ? -27.845 -8.104  -26.622 1.00 9.25  ? 173 PHE   B CD1 1 
ATOM   1424 C CD2 . PHE   A 1 167 ? -27.708 -7.364  -24.363 1.00 11.20 ? 173 PHE   B CD2 1 
ATOM   1425 C CE1 . PHE   A 1 167 ? -26.463 -8.055  -26.727 1.00 9.89  ? 173 PHE   B CE1 1 
ATOM   1426 C CE2 . PHE   A 1 167 ? -26.334 -7.246  -24.500 1.00 11.19 ? 173 PHE   B CE2 1 
ATOM   1427 C CZ  . PHE   A 1 167 ? -25.718 -7.608  -25.681 1.00 11.39 ? 173 PHE   B CZ  1 
ATOM   1428 N N   . ASN   A 1 168 ? -32.653 -9.274  -23.945 1.00 9.53  ? 174 ASN   B N   1 
ATOM   1429 C CA  . ASN   A 1 168 ? -34.105 -9.041  -23.900 1.00 9.64  ? 174 ASN   B CA  1 
ATOM   1430 C C   . ASN   A 1 168 ? -34.318 -7.911  -22.903 1.00 9.78  ? 174 ASN   B C   1 
ATOM   1431 O O   . ASN   A 1 168 ? -34.017 -8.077  -21.715 1.00 10.40 ? 174 ASN   B O   1 
ATOM   1432 C CB  . ASN   A 1 168 ? -34.887 -10.281 -23.477 1.00 9.84  ? 174 ASN   B CB  1 
ATOM   1433 C CG  . ASN   A 1 168 ? -36.388 -10.089 -23.544 1.00 11.55 ? 174 ASN   B CG  1 
ATOM   1434 O OD1 . ASN   A 1 168 ? -36.903 -9.032  -23.837 1.00 12.84 ? 174 ASN   B OD1 1 
ATOM   1435 N ND2 . ASN   A 1 168 ? -37.095 -11.185 -23.385 1.00 13.40 ? 174 ASN   B ND2 1 
ATOM   1436 N N   . VAL   A 1 169 ? -34.868 -6.779  -23.362 1.00 9.66  ? 175 VAL   B N   1 
ATOM   1437 C CA  . VAL   A 1 169 ? -35.130 -5.603  -22.479 1.00 10.04 ? 175 VAL   B CA  1 
ATOM   1438 C C   . VAL   A 1 169 ? -36.383 -5.834  -21.630 1.00 10.88 ? 175 VAL   B C   1 
ATOM   1439 O O   . VAL   A 1 169 ? -36.617 -5.017  -20.709 1.00 11.71 ? 175 VAL   B O   1 
ATOM   1440 C CB  . VAL   A 1 169 ? -35.209 -4.249  -23.218 1.00 11.28 ? 175 VAL   B CB  1 
ATOM   1441 C CG1 . VAL   A 1 169 ? -33.918 -3.929  -23.904 1.00 12.20 ? 175 VAL   B CG1 1 
ATOM   1442 C CG2 . VAL   A 1 169 ? -36.385 -4.237  -24.192 1.00 12.04 ? 175 VAL   B CG2 1 
ATOM   1443 N N   . GLY   A 1 170 ? -37.186 -6.848  -21.968 1.00 11.06 ? 176 GLY   B N   1 
ATOM   1444 C CA  . GLY   A 1 170 ? -38.480 -7.095  -21.290 1.00 11.65 ? 176 GLY   B CA  1 
ATOM   1445 C C   . GLY   A 1 170 ? -39.578 -6.155  -21.710 1.00 11.78 ? 176 GLY   B C   1 
ATOM   1446 O O   . GLY   A 1 170 ? -39.344 -5.107  -22.304 1.00 10.84 ? 176 GLY   B O   1 
ATOM   1447 N N   . PHE   A 1 171 ? -40.816 -6.593  -21.471 1.00 12.10 ? 177 PHE   B N   1 
ATOM   1448 C CA  . PHE   A 1 171 ? -42.010 -5.747  -21.675 1.00 11.66 ? 177 PHE   B CA  1 
ATOM   1449 C C   . PHE   A 1 171 ? -42.049 -4.663  -20.615 1.00 11.39 ? 177 PHE   B C   1 
ATOM   1450 O O   . PHE   A 1 171 ? -41.356 -4.747  -19.591 1.00 11.41 ? 177 PHE   B O   1 
ATOM   1451 C CB  . PHE   A 1 171 ? -43.292 -6.587  -21.732 1.00 12.98 ? 177 PHE   B CB  1 
ATOM   1452 C CG  . PHE   A 1 171 ? -43.377 -7.505  -22.931 1.00 13.36 ? 177 PHE   B CG  1 
ATOM   1453 C CD1 . PHE   A 1 171 ? -43.774 -7.014  -24.166 1.00 16.16 ? 177 PHE   B CD1 1 
ATOM   1454 C CD2 . PHE   A 1 171 ? -43.086 -8.852  -22.828 1.00 15.06 ? 177 PHE   B CD2 1 
ATOM   1455 C CE1 . PHE   A 1 171 ? -43.829 -7.854  -25.283 1.00 16.42 ? 177 PHE   B CE1 1 
ATOM   1456 C CE2 . PHE   A 1 171 ? -43.180 -9.682  -23.936 1.00 15.50 ? 177 PHE   B CE2 1 
ATOM   1457 C CZ  . PHE   A 1 171 ? -43.575 -9.186  -25.135 1.00 15.62 ? 177 PHE   B CZ  1 
ATOM   1458 N N   . ASN   A 1 172 ? -42.930 -3.706  -20.842 1.00 11.53 ? 178 ASN   B N   1 
ATOM   1459 C CA  . ASN   A 1 172 ? -43.119 -2.615  -19.858 1.00 10.79 ? 178 ASN   B CA  1 
ATOM   1460 C C   . ASN   A 1 172 ? -44.634 -2.445  -19.661 1.00 11.05 ? 178 ASN   B C   1 
ATOM   1461 O O   . ASN   A 1 172 ? -45.139 -1.319  -19.713 1.00 13.49 ? 178 ASN   B O   1 
ATOM   1462 C CB  . ASN   A 1 172 ? -42.437 -1.347  -20.304 1.00 11.92 ? 178 ASN   B CB  1 
ATOM   1463 C CG  . ASN   A 1 172 ? -42.481 -0.272  -19.266 1.00 12.24 ? 178 ASN   B CG  1 
ATOM   1464 O OD1 . ASN   A 1 172 ? -42.557 -0.515  -18.062 1.00 12.35 ? 178 ASN   B OD1 1 
ATOM   1465 N ND2 . ASN   A 1 172 ? -42.441 0.967   -19.742 1.00 14.90 ? 178 ASN   B ND2 1 
ATOM   1466 N N   . TYR   A 1 173 ? -45.303 -3.506  -19.266 1.00 11.59 ? 179 TYR   B N   1 
ATOM   1467 C CA  . TYR   A 1 173 ? -46.743 -3.435  -18.883 1.00 10.96 ? 179 TYR   B CA  1 
ATOM   1468 C C   . TYR   A 1 173 ? -46.890 -2.626  -17.604 1.00 12.40 ? 179 TYR   B C   1 
ATOM   1469 O O   . TYR   A 1 173 ? -47.978 -1.987  -17.419 1.00 13.75 ? 179 TYR   B O   1 
ATOM   1470 C CB  . TYR   A 1 173 ? -47.329 -4.835  -18.670 1.00 11.68 ? 179 TYR   B CB  1 
ATOM   1471 C CG  . TYR   A 1 173 ? -47.398 -5.714  -19.884 1.00 13.61 ? 179 TYR   B CG  1 
ATOM   1472 C CD1 . TYR   A 1 173 ? -48.368 -5.502  -20.852 1.00 16.17 ? 179 TYR   B CD1 1 
ATOM   1473 C CD2 . TYR   A 1 173 ? -46.522 -6.777  -20.031 1.00 14.83 ? 179 TYR   B CD2 1 
ATOM   1474 C CE1 . TYR   A 1 173 ? -48.397 -6.266  -22.011 1.00 16.62 ? 179 TYR   B CE1 1 
ATOM   1475 C CE2 . TYR   A 1 173 ? -46.562 -7.555  -21.188 1.00 14.89 ? 179 TYR   B CE2 1 
ATOM   1476 C CZ  . TYR   A 1 173 ? -47.499 -7.300  -22.161 1.00 16.43 ? 179 TYR   B CZ  1 
ATOM   1477 O OH  . TYR   A 1 173 ? -47.578 -8.101  -23.293 1.00 20.71 ? 179 TYR   B OH  1 
ATOM   1478 N N   . SER   A 1 174 ? -45.946 -2.645  -16.685 1.00 11.68 ? 180 SER   B N   1 
ATOM   1479 C CA  . SER   A 1 174 ? -46.028 -2.048  -15.332 1.00 12.26 ? 180 SER   B CA  1 
ATOM   1480 C C   . SER   A 1 174 ? -45.753 -0.540  -15.360 1.00 12.88 ? 180 SER   B C   1 
ATOM   1481 O O   . SER   A 1 174 ? -46.066 0.135   -14.357 1.00 14.58 ? 180 SER   B O   1 
ATOM   1482 C CB  . SER   A 1 174 ? -45.049 -2.675  -14.388 1.00 13.04 ? 180 SER   B CB  1 
ATOM   1483 O OG  . SER   A 1 174 ? -43.704 -2.402  -14.818 1.00 13.30 ? 180 SER   B OG  1 
ATOM   1484 N N   . GLY   A 1 175 ? -45.110 -0.029  -16.403 1.00 11.65 ? 181 GLY   B N   1 
ATOM   1485 C CA  . GLY   A 1 175 ? -44.578 1.345   -16.371 1.00 11.80 ? 181 GLY   B CA  1 
ATOM   1486 C C   . GLY   A 1 175 ? -43.322 1.507   -15.538 1.00 13.03 ? 181 GLY   B C   1 
ATOM   1487 O O   . GLY   A 1 175 ? -42.857 2.639   -15.388 1.00 15.45 ? 181 GLY   B O   1 
ATOM   1488 N N   . GLY   A 1 176 ? -42.801 0.429   -14.954 1.00 12.17 ? 182 GLY   B N   1 
ATOM   1489 C CA  . GLY   A 1 176 ? -41.578 0.439   -14.156 1.00 11.89 ? 182 GLY   B CA  1 
ATOM   1490 C C   . GLY   A 1 176 ? -40.373 -0.210  -14.848 1.00 12.71 ? 182 GLY   B C   1 
ATOM   1491 O O   . GLY   A 1 176 ? -39.317 -0.238  -14.180 1.00 14.36 ? 182 GLY   B O   1 
ATOM   1492 N N   . ASN   A 1 177 ? -40.488 -0.613  -16.108 1.00 10.30 ? 183 ASN   B N   1 
ATOM   1493 C CA  . ASN   A 1 177 ? -39.402 -1.328  -16.796 1.00 10.72 ? 183 ASN   B CA  1 
ATOM   1494 C C   . ASN   A 1 177 ? -38.958 -0.618  -18.077 1.00 10.96 ? 183 ASN   B C   1 
ATOM   1495 O O   . ASN   A 1 177 ? -38.407 -1.288  -18.952 1.00 12.17 ? 183 ASN   B O   1 
ATOM   1496 C CB  . ASN   A 1 177 ? -39.764 -2.768  -17.126 1.00 10.51 ? 183 ASN   B CB  1 
ATOM   1497 C CG  . ASN   A 1 177 ? -38.552 -3.634  -17.414 1.00 10.76 ? 183 ASN   B CG  1 
ATOM   1498 O OD1 . ASN   A 1 177 ? -37.522 -3.448  -16.787 1.00 11.04 ? 183 ASN   B OD1 1 
ATOM   1499 N ND2 . ASN   A 1 177 ? -38.747 -4.554  -18.358 1.00 10.54 ? 183 ASN   B ND2 1 
ATOM   1500 N N   . ALA   A 1 178 ? -39.024 0.704   -18.147 1.00 11.99 ? 184 ALA   B N   1 
ATOM   1501 C CA  . ALA   A 1 178 ? -38.626 1.428   -19.377 1.00 12.84 ? 184 ALA   B CA  1 
ATOM   1502 C C   . ALA   A 1 178 ? -37.106 1.563   -19.527 1.00 12.51 ? 184 ALA   B C   1 
ATOM   1503 O O   . ALA   A 1 178 ? -36.689 1.830   -20.663 1.00 14.53 ? 184 ALA   B O   1 
ATOM   1504 C CB  . ALA   A 1 178 ? -39.247 2.830   -19.367 1.00 13.95 ? 184 ALA   B CB  1 
ATOM   1505 N N   . ALA   A 1 179 ? -36.346 1.423   -18.442 1.00 11.85 ? 185 ALA   B N   1 
ATOM   1506 C CA  . ALA   A 1 179 ? -34.890 1.707   -18.497 1.00 12.34 ? 185 ALA   B CA  1 
ATOM   1507 C C   . ALA   A 1 179 ? -34.201 0.812   -19.539 1.00 12.33 ? 185 ALA   B C   1 
ATOM   1508 O O   . ALA   A 1 179 ? -34.578 -0.340  -19.802 1.00 11.89 ? 185 ALA   B O   1 
ATOM   1509 C CB  . ALA   A 1 179 ? -34.288 1.546   -17.138 1.00 12.71 ? 185 ALA   B CB  1 
ATOM   1510 N N   . PRO   A 1 180 ? -33.125 1.321   -20.154 1.00 12.01 ? 186 PRO   B N   1 
ATOM   1511 C CA  . PRO   A 1 180 ? -32.375 0.555   -21.147 1.00 11.71 ? 186 PRO   B CA  1 
ATOM   1512 C C   . PRO   A 1 180 ? -31.437 -0.538  -20.576 1.00 10.99 ? 186 PRO   B C   1 
ATOM   1513 O O   . PRO   A 1 180 ? -31.113 -0.501  -19.385 1.00 11.75 ? 186 PRO   B O   1 
ATOM   1514 C CB  . PRO   A 1 180 ? -31.491 1.628   -21.804 1.00 13.51 ? 186 PRO   B CB  1 
ATOM   1515 C CG  . PRO   A 1 180 ? -31.222 2.590   -20.704 1.00 15.29 ? 186 PRO   B CG  1 
ATOM   1516 C CD  . PRO   A 1 180 ? -32.554 2.673   -19.961 1.00 14.11 ? 186 PRO   B CD  1 
ATOM   1517 N N   . LEU   A 1 181 ? -31.061 -1.482  -21.426 1.00 11.24 ? 187 LEU   B N   1 
ATOM   1518 C CA  . LEU   A 1 181 ? -29.834 -2.271  -21.249 1.00 10.92 ? 187 LEU   B CA  1 
ATOM   1519 C C   . LEU   A 1 181 ? -28.697 -1.461  -21.875 1.00 11.21 ? 187 LEU   B C   1 
ATOM   1520 O O   . LEU   A 1 181 ? -28.859 -0.964  -23.016 1.00 13.42 ? 187 LEU   B O   1 
ATOM   1521 C CB  . LEU   A 1 181 ? -29.990 -3.636  -21.882 1.00 11.13 ? 187 LEU   B CB  1 
ATOM   1522 C CG  . LEU   A 1 181 ? -31.025 -4.580  -21.255 1.00 11.94 ? 187 LEU   B CG  1 
ATOM   1523 C CD1 . LEU   A 1 181 ? -31.157 -5.857  -22.077 1.00 13.32 ? 187 LEU   B CD1 1 
ATOM   1524 C CD2 . LEU   A 1 181 ? -30.662 -4.940  -19.829 1.00 13.74 ? 187 LEU   B CD2 1 
ATOM   1525 N N   . LYS   A 1 182 ? -27.543 -1.414  -21.227 1.00 11.31 ? 188 LYS   B N   1 
ATOM   1526 C CA  . LYS   A 1 182 ? -26.395 -0.649  -21.771 1.00 12.20 ? 188 LYS   B CA  1 
ATOM   1527 C C   . LYS   A 1 182 ? -25.148 -1.514  -21.732 1.00 12.81 ? 188 LYS   B C   1 
ATOM   1528 O O   . LYS   A 1 182 ? -24.810 -2.044  -20.644 1.00 13.03 ? 188 LYS   B O   1 
ATOM   1529 C CB  . LYS   A 1 182 ? -26.135 0.634   -20.972 1.00 14.49 ? 188 LYS   B CB  1 
ATOM   1530 C CG  . LYS   A 1 182 ? -27.304 1.586   -20.784 1.00 17.91 ? 188 LYS   B CG  1 
ATOM   1531 C CD  . LYS   A 1 182 ? -26.869 2.913   -20.144 1.00 21.64 ? 188 LYS   B CD  1 
ATOM   1532 C CE  . LYS   A 1 182 ? -28.010 3.802   -19.716 1.00 26.00 ? 188 LYS   B CE  1 
ATOM   1533 N NZ  . LYS   A 1 182 ? -27.483 4.961   -18.945 1.00 32.06 ? 188 LYS   B NZ  1 
ATOM   1534 N N   . LEU   A 1 183 ? -24.408 -1.573  -22.811 1.00 12.73 ? 189 LEU   B N   1 
ATOM   1535 C CA  . LEU   A 1 183 ? -23.065 -2.221  -22.823 1.00 12.85 ? 189 LEU   B CA  1 
ATOM   1536 C C   . LEU   A 1 183 ? -22.063 -1.282  -22.164 1.00 14.33 ? 189 LEU   B C   1 
ATOM   1537 O O   . LEU   A 1 183 ? -21.940 -0.115  -22.639 1.00 17.83 ? 189 LEU   B O   1 
ATOM   1538 C CB  . LEU   A 1 183 ? -22.709 -2.585  -24.259 1.00 13.66 ? 189 LEU   B CB  1 
ATOM   1539 C CG  . LEU   A 1 183 ? -23.448 -3.846  -24.724 1.00 14.11 ? 189 LEU   B CG  1 
ATOM   1540 C CD1 . LEU   A 1 183 ? -23.635 -3.913  -26.223 1.00 18.12 ? 189 LEU   B CD1 1 
ATOM   1541 C CD2 . LEU   A 1 183 ? -22.803 -5.118  -24.170 1.00 12.70 ? 189 LEU   B CD2 1 
ATOM   1542 N N   . CYS   A 1 184 ? -21.427 -1.725  -21.089 1.00 15.81 ? 190 CYS   B N   1 
ATOM   1543 C CA  . CYS   A 1 184 ? -20.535 -0.860  -20.251 1.00 18.24 ? 190 CYS   B CA  1 
ATOM   1544 C C   . CYS   A 1 184 ? -19.167 -0.791  -20.884 1.00 20.45 ? 190 CYS   B C   1 
ATOM   1545 O O   . CYS   A 1 184 ? -18.688 -1.748  -21.453 1.00 20.58 ? 190 CYS   B O   1 
ATOM   1546 C CB  . CYS   A 1 184 ? -20.230 -1.469  -18.898 1.00 21.26 ? 190 CYS   B CB  1 
ATOM   1547 S SG  . CYS   A 1 184 ? -21.661 -2.082  -18.017 1.00 22.29 ? 190 CYS   B SG  1 
ATOM   1548 N N   . PRO   A 1 185 ? -18.474 0.355   -20.762 1.00 25.24 ? 191 PRO   B N   1 
ATOM   1549 C CA  . PRO   A 1 185 ? -17.153 0.503   -21.339 1.00 30.70 ? 191 PRO   B CA  1 
ATOM   1550 C C   . PRO   A 1 185 ? -16.152 -0.417  -20.633 1.00 29.82 ? 191 PRO   B C   1 
ATOM   1551 O O   . PRO   A 1 185 ? -16.325 -0.717  -19.452 1.00 30.22 ? 191 PRO   B O   1 
ATOM   1552 C CB  . PRO   A 1 185 ? -16.877 2.012   -21.166 1.00 31.37 ? 191 PRO   B CB  1 
ATOM   1553 C CG  . PRO   A 1 185 ? -17.740 2.452   -20.020 1.00 31.42 ? 191 PRO   B CG  1 
ATOM   1554 C CD  . PRO   A 1 185 ? -18.968 1.573   -20.098 1.00 28.70 ? 191 PRO   B CD  1 
ATOM   1555 N N   . LEU   A 1 186 ? -15.143 -0.814  -21.411 1.00 35.06 ? 192 LEU   B N   1 
ATOM   1556 C CA  . LEU   A 1 186 ? -13.912 -1.565  -21.046 1.00 37.34 ? 192 LEU   B CA  1 
ATOM   1557 C C   . LEU   A 1 186 ? -13.026 -0.709  -20.141 1.00 42.94 ? 192 LEU   B C   1 
ATOM   1558 O O   . LEU   A 1 186 ? -12.301 -1.287  -19.315 1.00 46.85 ? 192 LEU   B O   1 
ATOM   1559 C CB  . LEU   A 1 186 ? -13.170 -1.900  -22.344 1.00 36.25 ? 192 LEU   B CB  1 
HETATM 1560 C C1  . EDO   B 2 .   ? -45.625 -3.545  -22.847 1.00 32.39 ? 201 EDO   B C1  1 
HETATM 1561 O O1  . EDO   B 2 .   ? -44.312 -3.234  -23.211 1.00 22.25 ? 201 EDO   B O1  1 
HETATM 1562 C C2  . EDO   B 2 .   ? -46.584 -3.576  -23.938 1.00 40.68 ? 201 EDO   B C2  1 
HETATM 1563 O O2  . EDO   B 2 .   ? -46.138 -2.896  -25.100 1.00 48.10 ? 201 EDO   B O2  1 
HETATM 1564 N N1  . A1BFN C 3 .   ? -48.014 -5.763  -28.800 0.74 28.37 ? 202 A1BFN B N1  1 
HETATM 1565 C C4  . A1BFN C 3 .   ? -46.557 -5.522  -26.872 0.74 30.12 ? 202 A1BFN B C4  1 
HETATM 1566 C C5  . A1BFN C 3 .   ? -47.231 -4.803  -28.022 0.74 28.98 ? 202 A1BFN B C5  1 
HETATM 1567 C C6  . A1BFN C 3 .   ? -49.135 -6.358  -28.078 0.74 30.77 ? 202 A1BFN B C6  1 
HETATM 1568 C C7  . A1BFN C 3 .   ? -47.772 -6.172  -30.060 0.74 27.29 ? 202 A1BFN B C7  1 
HETATM 1569 C C8  . A1BFN C 3 .   ? -46.479 -5.750  -30.738 0.74 26.94 ? 202 A1BFN B C8  1 
HETATM 1570 C C10 . A1BFN C 3 .   ? -45.193 -7.736  -29.880 0.74 23.71 ? 202 A1BFN B C10 1 
HETATM 1571 C C13 . A1BFN C 3 .   ? -43.084 -6.135  -29.084 0.74 22.15 ? 202 A1BFN B C13 1 
HETATM 1572 C C1  . A1BFN C 3 .   ? -50.019 -7.087  -25.845 0.74 35.11 ? 202 A1BFN B C1  1 
HETATM 1573 C C11 . A1BFN C 3 .   ? -44.086 -8.308  -29.275 0.74 23.17 ? 202 A1BFN B C11 1 
HETATM 1574 C C12 . A1BFN C 3 .   ? -43.063 -7.489  -28.906 0.74 22.93 ? 202 A1BFN B C12 1 
HETATM 1575 C C14 . A1BFN C 3 .   ? -44.205 -5.581  -29.677 0.74 23.19 ? 202 A1BFN B C14 1 
HETATM 1576 C C2  . A1BFN C 3 .   ? -48.975 -6.225  -26.567 0.74 32.68 ? 202 A1BFN B C2  1 
HETATM 1577 C C3  . A1BFN C 3 .   ? -47.518 -6.472  -26.160 0.74 31.91 ? 202 A1BFN B C3  1 
HETATM 1578 C C9  . A1BFN C 3 .   ? -45.263 -6.367  -30.102 0.74 24.13 ? 202 A1BFN B C9  1 
HETATM 1579 F F1  . A1BFN C 3 .   ? -41.973 -8.036  -28.308 0.74 25.44 ? 202 A1BFN B F1  1 
HETATM 1580 O O1  . A1BFN C 3 .   ? -51.104 -7.227  -26.367 0.74 37.88 ? 202 A1BFN B O1  1 
HETATM 1581 O O2  . A1BFN C 3 .   ? -49.739 -7.577  -24.772 0.74 33.38 ? 202 A1BFN B O2  1 
HETATM 1582 O O3  . A1BFN C 3 .   ? -48.529 -6.954  -30.628 0.74 28.69 ? 202 A1BFN B O3  1 
HETATM 1583 C C1  . EDO   D 2 .   ? -50.467 -17.080 -33.249 1.00 40.56 ? 203 EDO   B C1  1 
HETATM 1584 O O1  . EDO   D 2 .   ? -49.230 -16.398 -33.147 1.00 33.42 ? 203 EDO   B O1  1 
HETATM 1585 C C2  . EDO   D 2 .   ? -51.146 -17.222 -31.949 1.00 39.23 ? 203 EDO   B C2  1 
HETATM 1586 O O2  . EDO   D 2 .   ? -51.309 -15.972 -31.334 1.00 46.26 ? 203 EDO   B O2  1 
HETATM 1587 S S   . SO4   E 4 .   ? -40.502 -24.616 -26.365 1.00 37.68 ? 204 SO4   B S   1 
HETATM 1588 O O1  . SO4   E 4 .   ? -39.783 -23.631 -27.118 1.00 24.00 ? 204 SO4   B O1  1 
HETATM 1589 O O2  . SO4   E 4 .   ? -41.375 -25.344 -27.248 1.00 42.80 ? 204 SO4   B O2  1 
HETATM 1590 O O3  . SO4   E 4 .   ? -39.541 -25.528 -25.761 1.00 42.96 ? 204 SO4   B O3  1 
HETATM 1591 O O4  . SO4   E 4 .   ? -41.291 -23.997 -25.323 1.00 40.19 ? 204 SO4   B O4  1 
HETATM 1592 O O   . HOH   F 5 .   ? -38.663 -15.346 -11.546 1.00 33.96 ? 301 HOH   B O   1 
HETATM 1593 O O   . HOH   F 5 .   ? -48.800 -7.684  -32.783 1.00 30.84 ? 302 HOH   B O   1 
HETATM 1594 O O   . HOH   F 5 .   ? -47.167 -16.796 -32.008 1.00 22.86 ? 303 HOH   B O   1 
HETATM 1595 O O   . HOH   F 5 .   ? -22.684 -1.840  -9.828  1.00 27.38 ? 304 HOH   B O   1 
HETATM 1596 O O   . HOH   F 5 .   ? -26.959 -28.460 -27.893 1.00 22.61 ? 305 HOH   B O   1 
HETATM 1597 O O   . HOH   F 5 .   ? -38.405 0.634   -12.061 1.00 39.45 ? 306 HOH   B O   1 
HETATM 1598 O O   . HOH   F 5 .   ? -41.160 -8.064  -3.564  1.00 54.32 ? 307 HOH   B O   1 
HETATM 1599 O O   . HOH   F 5 .   ? -13.523 -23.564 -31.687 1.00 15.13 ? 308 HOH   B O   1 
HETATM 1600 O O   . HOH   F 5 .   ? -38.103 2.695   -22.746 1.00 18.66 ? 309 HOH   B O   1 
HETATM 1601 O O   . HOH   F 5 .   ? -15.637 -5.503  -13.673 1.00 30.80 ? 310 HOH   B O   1 
HETATM 1602 O O   . HOH   F 5 .   ? -18.697 -21.985 -35.883 1.00 16.49 ? 311 HOH   B O   1 
HETATM 1603 O O   . HOH   F 5 .   ? -32.982 1.133   -33.534 1.00 19.18 ? 312 HOH   B O   1 
HETATM 1604 O O   . HOH   F 5 .   ? -35.936 -22.433 -19.581 1.00 23.40 ? 313 HOH   B O   1 
HETATM 1605 O O   . HOH   F 5 .   ? -9.424  -18.727 -30.258 1.00 40.20 ? 314 HOH   B O   1 
HETATM 1606 O O   . HOH   F 5 .   ? -29.553 -12.461 -37.798 1.00 22.01 ? 315 HOH   B O   1 
HETATM 1607 O O   . HOH   F 5 .   ? -33.836 5.078   -17.064 1.00 40.16 ? 316 HOH   B O   1 
HETATM 1608 O O   . HOH   F 5 .   ? -26.209 3.393   -35.282 1.00 32.85 ? 317 HOH   B O   1 
HETATM 1609 O O   . HOH   F 5 .   ? -11.133 -21.187 -25.224 1.00 29.69 ? 318 HOH   B O   1 
HETATM 1610 O O   . HOH   F 5 .   ? -45.511 0.040   -11.783 1.00 21.28 ? 319 HOH   B O   1 
HETATM 1611 O O   . HOH   F 5 .   ? -47.173 1.296   -25.567 1.00 29.36 ? 320 HOH   B O   1 
HETATM 1612 O O   . HOH   F 5 .   ? -32.945 -18.225 -37.248 1.00 34.23 ? 321 HOH   B O   1 
HETATM 1613 O O   . HOH   F 5 .   ? -24.603 -31.015 -22.121 1.00 35.05 ? 322 HOH   B O   1 
HETATM 1614 O O   . HOH   F 5 .   ? -30.803 -6.710  -11.316 1.00 14.40 ? 323 HOH   B O   1 
HETATM 1615 O O   . HOH   F 5 .   ? -35.772 -19.149 -30.545 1.00 29.00 ? 324 HOH   B O   1 
HETATM 1616 O O   . HOH   F 5 .   ? -36.863 -16.280 -39.417 1.00 27.33 ? 325 HOH   B O   1 
HETATM 1617 O O   . HOH   F 5 .   ? -41.562 1.474   -22.393 1.00 29.88 ? 326 HOH   B O   1 
HETATM 1618 O O   . HOH   F 5 .   ? -19.540 -29.789 -15.601 1.00 28.17 ? 327 HOH   B O   1 
HETATM 1619 O O   . HOH   F 5 .   ? -37.302 -25.558 -11.431 1.00 36.13 ? 328 HOH   B O   1 
HETATM 1620 O O   . HOH   F 5 .   ? -36.278 5.493   -15.804 1.00 26.34 ? 329 HOH   B O   1 
HETATM 1621 O O   . HOH   F 5 .   ? -36.612 -23.041 -30.891 1.00 34.72 ? 330 HOH   B O   1 
HETATM 1622 O O   . HOH   F 5 .   ? -49.719 -1.531  -19.404 1.00 30.11 ? 331 HOH   B O   1 
HETATM 1623 O O   . HOH   F 5 .   ? -17.633 -21.403 -12.473 1.00 18.19 ? 332 HOH   B O   1 
HETATM 1624 O O   . HOH   F 5 .   ? -12.780 -21.369 -18.728 1.00 28.24 ? 333 HOH   B O   1 
HETATM 1625 O O   . HOH   F 5 .   ? -8.998  -13.435 -25.252 1.00 32.09 ? 334 HOH   B O   1 
HETATM 1626 O O   . HOH   F 5 .   ? -30.731 1.129   -17.032 1.00 25.51 ? 335 HOH   B O   1 
HETATM 1627 O O   . HOH   F 5 .   ? -25.916 -22.661 -35.901 1.00 27.88 ? 336 HOH   B O   1 
HETATM 1628 O O   . HOH   F 5 .   ? -38.106 -14.254 -21.433 1.00 36.63 ? 337 HOH   B O   1 
HETATM 1629 O O   . HOH   F 5 .   ? -30.886 -20.336 -21.377 1.00 11.53 ? 338 HOH   B O   1 
HETATM 1630 O O   . HOH   F 5 .   ? -16.194 -19.686 -15.692 1.00 24.55 ? 339 HOH   B O   1 
HETATM 1631 O O   . HOH   F 5 .   ? -18.513 -4.644  -24.710 1.00 16.89 ? 340 HOH   B O   1 
HETATM 1632 O O   . HOH   F 5 .   ? -43.029 -15.416 -10.063 1.00 23.73 ? 341 HOH   B O   1 
HETATM 1633 O O   . HOH   F 5 .   ? -40.684 -14.392 -8.282  1.00 30.47 ? 342 HOH   B O   1 
HETATM 1634 O O   . HOH   F 5 .   ? -23.345 4.322   -24.664 1.00 24.44 ? 343 HOH   B O   1 
HETATM 1635 O O   . HOH   F 5 .   ? -38.480 3.811   -42.215 1.00 24.64 ? 344 HOH   B O   1 
HETATM 1636 O O   . HOH   F 5 .   ? -44.078 -2.093  -11.262 1.00 19.37 ? 345 HOH   B O   1 
HETATM 1637 O O   . HOH   F 5 .   ? -16.736 -5.636  -9.395  1.00 32.06 ? 346 HOH   B O   1 
HETATM 1638 O O   . HOH   F 5 .   ? -36.848 -25.987 -23.819 1.00 32.14 ? 347 HOH   B O   1 
HETATM 1639 O O   . HOH   F 5 .   ? -38.531 -7.619  -10.725 1.00 15.36 ? 348 HOH   B O   1 
HETATM 1640 O O   . HOH   F 5 .   ? -38.822 -2.502  -21.375 1.00 14.47 ? 349 HOH   B O   1 
HETATM 1641 O O   . HOH   F 5 .   ? -28.407 -21.659 -8.983  1.00 17.49 ? 350 HOH   B O   1 
HETATM 1642 O O   . HOH   F 5 .   ? -45.214 -12.411 -26.597 1.00 29.04 ? 351 HOH   B O   1 
HETATM 1643 O O   . HOH   F 5 .   ? -13.606 -21.031 -35.273 1.00 29.37 ? 352 HOH   B O   1 
HETATM 1644 O O   . HOH   F 5 .   ? -34.116 -22.014 -31.471 1.00 18.51 ? 353 HOH   B O   1 
HETATM 1645 O O   . HOH   F 5 .   ? -19.437 -4.316  -22.093 1.00 14.31 ? 354 HOH   B O   1 
HETATM 1646 O O   . HOH   F 5 .   ? -36.278 -1.811  -33.856 1.00 18.01 ? 355 HOH   B O   1 
HETATM 1647 O O   . HOH   F 5 .   ? -26.566 1.932   -11.021 1.00 27.56 ? 356 HOH   B O   1 
HETATM 1648 O O   . HOH   F 5 .   ? -17.615 -27.678 -19.705 1.00 18.54 ? 357 HOH   B O   1 
HETATM 1649 O O   . HOH   F 5 .   ? -26.591 -25.797 -16.442 1.00 16.99 ? 358 HOH   B O   1 
HETATM 1650 O O   . HOH   F 5 .   ? -10.374 -23.592 -21.791 1.00 29.39 ? 359 HOH   B O   1 
HETATM 1651 O O   . HOH   F 5 .   ? -27.833 -27.449 -25.905 1.00 28.66 ? 360 HOH   B O   1 
HETATM 1652 O O   . HOH   F 5 .   ? -30.272 -23.929 -34.120 1.00 22.96 ? 361 HOH   B O   1 
HETATM 1653 O O   . HOH   F 5 .   ? -17.870 -19.865 -37.590 1.00 26.60 ? 362 HOH   B O   1 
HETATM 1654 O O   . HOH   F 5 .   ? -17.992 -4.451  -5.901  1.00 37.75 ? 363 HOH   B O   1 
HETATM 1655 O O   . HOH   F 5 .   ? -19.877 1.939   -30.469 1.00 31.80 ? 364 HOH   B O   1 
HETATM 1656 O O   . HOH   F 5 .   ? -25.692 -14.305 -3.162  1.00 31.47 ? 365 HOH   B O   1 
HETATM 1657 O O   . HOH   F 5 .   ? -41.031 -9.369  -36.760 1.00 27.62 ? 366 HOH   B O   1 
HETATM 1658 O O   . HOH   F 5 .   ? -35.341 -17.221 -8.111  1.00 41.69 ? 367 HOH   B O   1 
HETATM 1659 O O   . HOH   F 5 .   ? -26.730 -17.692 -7.772  1.00 15.68 ? 368 HOH   B O   1 
HETATM 1660 O O   . HOH   F 5 .   ? -36.551 -0.999  -22.131 1.00 13.06 ? 369 HOH   B O   1 
HETATM 1661 O O   . HOH   F 5 .   ? -23.874 1.145   -10.733 1.00 29.57 ? 370 HOH   B O   1 
HETATM 1662 O O   . HOH   F 5 .   ? -23.288 2.317   -23.028 1.00 28.07 ? 371 HOH   B O   1 
HETATM 1663 O O   . HOH   F 5 .   ? -42.272 -3.886  -39.525 1.00 22.17 ? 372 HOH   B O   1 
HETATM 1664 O O   . HOH   F 5 .   ? -40.326 -14.384 -31.497 1.00 13.56 ? 373 HOH   B O   1 
HETATM 1665 O O   . HOH   F 5 .   ? -42.592 -5.792  -12.200 1.00 19.45 ? 374 HOH   B O   1 
HETATM 1666 O O   . HOH   F 5 .   ? -20.937 -16.452 -5.538  1.00 16.78 ? 375 HOH   B O   1 
HETATM 1667 O O   . HOH   F 5 .   ? -32.286 -5.011  -12.920 1.00 13.63 ? 376 HOH   B O   1 
HETATM 1668 O O   . HOH   F 5 .   ? -27.180 -20.332 -7.047  1.00 15.88 ? 377 HOH   B O   1 
HETATM 1669 O O   . HOH   F 5 .   ? -9.442  -20.766 -28.955 1.00 39.47 ? 378 HOH   B O   1 
HETATM 1670 O O   . HOH   F 5 .   ? -43.906 -0.702  -24.403 1.00 31.66 ? 379 HOH   B O   1 
HETATM 1671 O O   . HOH   F 5 .   ? -37.059 0.765   -15.556 1.00 16.10 ? 380 HOH   B O   1 
HETATM 1672 O O   . HOH   F 5 .   ? -45.822 -14.756 -27.677 1.00 31.99 ? 381 HOH   B O   1 
HETATM 1673 O O   . HOH   F 5 .   ? -33.873 -21.797 -36.842 1.00 37.55 ? 382 HOH   B O   1 
HETATM 1674 O O   . HOH   F 5 .   ? -34.723 -9.041  -6.093  1.00 40.96 ? 383 HOH   B O   1 
HETATM 1675 O O   . HOH   F 5 .   ? -19.210 -29.234 -23.553 1.00 24.80 ? 384 HOH   B O   1 
HETATM 1676 O O   . HOH   F 5 .   ? -24.032 -12.420 -6.540  1.00 17.80 ? 385 HOH   B O   1 
HETATM 1677 O O   . HOH   F 5 .   ? -41.093 -5.959  -38.085 1.00 26.74 ? 386 HOH   B O   1 
HETATM 1678 O O   . HOH   F 5 .   ? -45.804 -19.626 -31.688 1.00 26.95 ? 387 HOH   B O   1 
HETATM 1679 O O   . HOH   F 5 .   ? -25.357 -10.486 -23.609 1.00 12.37 ? 388 HOH   B O   1 
HETATM 1680 O O   . HOH   F 5 .   ? -35.512 -4.611  -42.213 1.00 23.38 ? 389 HOH   B O   1 
HETATM 1681 O O   . HOH   F 5 .   ? -45.938 -4.253  -34.038 1.00 22.24 ? 390 HOH   B O   1 
HETATM 1682 O O   . HOH   F 5 .   ? -28.880 7.752   -30.064 1.00 32.63 ? 391 HOH   B O   1 
HETATM 1683 O O   . HOH   F 5 .   ? -33.484 -1.847  -38.417 1.00 25.49 ? 392 HOH   B O   1 
HETATM 1684 O O   . HOH   F 5 .   ? -18.344 -17.339 -36.435 1.00 25.44 ? 393 HOH   B O   1 
HETATM 1685 O O   . HOH   F 5 .   ? -33.411 -14.945 -6.997  1.00 21.54 ? 394 HOH   B O   1 
HETATM 1686 O O   . HOH   F 5 .   ? -23.986 -26.605 -15.895 1.00 22.92 ? 395 HOH   B O   1 
HETATM 1687 O O   . HOH   F 5 .   ? -36.433 -0.245  -42.135 1.00 38.50 ? 396 HOH   B O   1 
HETATM 1688 O O   . HOH   F 5 .   ? -12.748 -18.505 -34.863 1.00 34.64 ? 397 HOH   B O   1 
HETATM 1689 O O   . HOH   F 5 .   ? -41.507 -8.510  -13.252 1.00 19.63 ? 398 HOH   B O   1 
HETATM 1690 O O   . HOH   F 5 .   ? -14.448 -16.580 -33.237 1.00 28.46 ? 399 HOH   B O   1 
HETATM 1691 O O   . HOH   F 5 .   ? -24.836 -15.049 -6.869  1.00 15.77 ? 400 HOH   B O   1 
HETATM 1692 O O   . HOH   F 5 .   ? -15.000 -19.790 -37.651 1.00 25.81 ? 401 HOH   B O   1 
HETATM 1693 O O   . HOH   F 5 .   ? -25.814 -27.006 -23.938 1.00 16.86 ? 402 HOH   B O   1 
HETATM 1694 O O   . HOH   F 5 .   ? -9.434  -15.909 -26.633 1.00 26.72 ? 403 HOH   B O   1 
HETATM 1695 O O   . HOH   F 5 .   ? -24.271 -4.147  -36.826 1.00 34.61 ? 404 HOH   B O   1 
HETATM 1696 O O   . HOH   F 5 .   ? -31.565 3.448   -26.885 1.00 24.56 ? 405 HOH   B O   1 
HETATM 1697 O O   . HOH   F 5 .   ? -24.892 -11.110 -4.188  1.00 23.48 ? 406 HOH   B O   1 
HETATM 1698 O O   . HOH   F 5 .   ? -39.988 2.700   -16.118 1.00 17.30 ? 407 HOH   B O   1 
HETATM 1699 O O   . HOH   F 5 .   ? -18.033 -16.083 -6.196  1.00 21.89 ? 408 HOH   B O   1 
HETATM 1700 O O   . HOH   F 5 .   ? -41.684 -9.768  -43.909 1.00 34.93 ? 409 HOH   B O   1 
HETATM 1701 O O   . HOH   F 5 .   ? -42.776 5.323   -20.823 1.00 23.33 ? 410 HOH   B O   1 
HETATM 1702 O O   . HOH   F 5 .   ? -39.964 -11.769 -22.757 1.00 31.14 ? 411 HOH   B O   1 
HETATM 1703 O O   . HOH   F 5 .   ? -34.298 -7.247  -7.971  1.00 29.78 ? 412 HOH   B O   1 
HETATM 1704 O O   . HOH   F 5 .   ? -25.158 7.015   -29.030 1.00 30.42 ? 413 HOH   B O   1 
HETATM 1705 O O   . HOH   F 5 .   ? -41.140 -8.793  -19.419 1.00 15.84 ? 414 HOH   B O   1 
HETATM 1706 O O   . HOH   F 5 .   ? -40.377 -7.457  -34.814 1.00 20.01 ? 415 HOH   B O   1 
HETATM 1707 O O   . HOH   F 5 .   ? -13.251 -6.331  -29.253 1.00 30.61 ? 416 HOH   B O   1 
HETATM 1708 O O   . HOH   F 5 .   ? -17.918 -11.096 -35.672 1.00 25.15 ? 417 HOH   B O   1 
HETATM 1709 O O   . HOH   F 5 .   ? -43.289 3.726   -18.793 1.00 21.85 ? 418 HOH   B O   1 
HETATM 1710 O O   . HOH   F 5 .   ? -16.108 -14.767 -8.575  1.00 29.81 ? 419 HOH   B O   1 
HETATM 1711 O O   . HOH   F 5 .   ? -38.807 3.930   -13.668 1.00 34.43 ? 420 HOH   B O   1 
HETATM 1712 O O   . HOH   F 5 .   ? -52.607 -14.232 -29.152 1.00 40.96 ? 421 HOH   B O   1 
HETATM 1713 O O   . HOH   F 5 .   ? -30.785 -17.417 -42.857 1.00 36.05 ? 422 HOH   B O   1 
HETATM 1714 O O   . HOH   F 5 .   ? -31.102 4.061   -24.475 1.00 25.59 ? 423 HOH   B O   1 
HETATM 1715 O O   . HOH   F 5 .   ? -21.171 -5.628  -2.339  1.00 44.28 ? 424 HOH   B O   1 
HETATM 1716 O O   . HOH   F 5 .   ? -15.829 -12.342 -5.732  1.00 41.85 ? 425 HOH   B O   1 
HETATM 1717 O O   . HOH   F 5 .   ? -19.972 2.296   -24.021 1.00 37.55 ? 426 HOH   B O   1 
HETATM 1718 O O   . HOH   F 5 .   ? -41.190 5.463   -28.602 1.00 29.25 ? 427 HOH   B O   1 
HETATM 1719 O O   . HOH   F 5 .   ? -40.892 6.479   -33.175 1.00 37.01 ? 428 HOH   B O   1 
HETATM 1720 O O   . HOH   F 5 .   ? -16.107 -7.514  -11.374 1.00 28.20 ? 429 HOH   B O   1 
HETATM 1721 O O   . HOH   F 5 .   ? -36.636 -6.593  -8.941  1.00 25.16 ? 430 HOH   B O   1 
HETATM 1722 O O   . HOH   F 5 .   ? -32.757 -23.641 -33.395 1.00 33.31 ? 431 HOH   B O   1 
HETATM 1723 O O   . HOH   F 5 .   ? -47.777 0.000   -32.988 0.50 24.53 ? 432 HOH   B O   1 
HETATM 1724 O O   . HOH   F 5 .   ? -26.250 -28.167 -21.579 1.00 36.72 ? 433 HOH   B O   1 
HETATM 1725 O O   . HOH   F 5 .   ? -40.273 5.038   -22.103 1.00 32.94 ? 434 HOH   B O   1 
HETATM 1726 O O   . HOH   F 5 .   ? -21.766 6.918   -32.310 1.00 30.06 ? 435 HOH   B O   1 
HETATM 1727 O O   . HOH   F 5 .   ? -8.452  -23.114 -30.269 1.00 29.36 ? 436 HOH   B O   1 
HETATM 1728 O O   . HOH   F 5 .   ? -22.951 3.417   -20.642 1.00 36.58 ? 437 HOH   B O   1 
HETATM 1729 O O   . HOH   F 5 .   ? -38.768 -16.460 -41.001 1.00 36.00 ? 438 HOH   B O   1 
HETATM 1730 O O   . HOH   F 5 .   ? -36.670 2.183   -43.216 1.00 36.21 ? 439 HOH   B O   1 
HETATM 1731 O O   . HOH   F 5 .   ? -15.948 -22.261 -14.607 1.00 28.76 ? 440 HOH   B O   1 
HETATM 1732 O O   . HOH   F 5 .   ? -28.411 -27.772 -16.940 1.00 23.92 ? 441 HOH   B O   1 
HETATM 1733 O O   . HOH   F 5 .   ? -16.118 -26.915 -17.320 1.00 35.55 ? 442 HOH   B O   1 
HETATM 1734 O O   . HOH   F 5 .   ? -26.462 -31.135 -24.053 1.00 26.31 ? 443 HOH   B O   1 
HETATM 1735 O O   . HOH   F 5 .   ? -42.326 -12.965 -22.477 1.00 29.68 ? 444 HOH   B O   1 
# 
