data_7HN2
# 
_entry.id   7HN2 
# 
_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   7HN2         pdb_00007hn2 10.2210/pdb7hn2/pdb 
WWPDB D_1001407680 ?            ?                   
# 
_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                        7HN2 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-04 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.SG_entry                        ? 
_pdbx_database_status.pdb_format_compatible           N 
_pdbx_database_status.methods_development_category    ? 
# 
_pdbx_contact_author.id                 1 
_pdbx_contact_author.email              knapp@pharmchem.uni-frankfurt.de 
_pdbx_contact_author.name_first         Stefan 
_pdbx_contact_author.name_last          Knapp 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-5995-6494 
_pdbx_contact_author.name_mi            ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Kim, Y.'                              1 
'Marples, P.'                          2 
'Fearon, D.'                           3 
'von Delft, F.'                        4 
'Knapp, S.'                            5 
'Kraemer, A.'                          6 
'Structural Genomics Consortium (SGC)' 7 
# 
_citation.id                        primary 
_citation.title                     'PanDDA analysis group deposition' 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_volume            ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.year                      ? 
_citation.journal_id_ASTM           ? 
_citation.country                   ? 
_citation.journal_id_ISSN           ? 
_citation.journal_id_CSD            0353 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_DOI      ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.identifier_ORCID 
_citation_author.ordinal 
primary 'Kim, Y.'                              ? 1 
primary 'Marples, P.'                          ? 2 
primary 'Fearon, D.'                           ? 3 
primary 'von Delft, F.'                        ? 4 
primary 'Knapp, S.'                            ? 5 
primary 'Kraemer, A.'                          ? 6 
primary 'Structural Genomics Consortium (SGC)' ? 7 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'E3 ubiquitin-protein ligase TRIM21'                          21596.361 1   2.3.2.27 ? ? ? 
2 non-polymer syn 1,2-ETHANEDIOL                                                62.068    2   ?        ? ? ? 
3 non-polymer syn 'N-{[(2R)-4-methylmorpholin-2-yl]methyl}-1,3-thiazol-2-amine' 213.300   1   ?        ? ? ? 
4 non-polymer syn '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID'         238.305   1   ?        ? ? ? 
5 non-polymer syn 'SULFATE ION'                                                 96.063    1   ?        ? ? ? 
6 water       nat water                                                         18.015    145 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;52 kDa Ro protein,52 kDa ribonucleoprotein autoantigen Ro/SS-A,Ro(SS-A),Sjoegren syndrome type A antigen,SS-A,Tripartite motif-containing protein 21
;
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_strand_id                 B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 1,2-ETHANEDIOL                                                EDO   
3 'N-{[(2R)-4-methylmorpholin-2-yl]methyl}-1,3-thiazol-2-amine' A1BFP 
4 '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID'         EPE   
5 'SULFATE ION'                                                 SO4   
6 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 
A1BFP non-polymer         . 'N-{[(2R)-4-methylmorpholin-2-yl]methyl}-1,3-thiazol-2-amine' ?                 'C9 H15 N3 O S'  
213.300 
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  
EPE   non-polymer         . '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID'         HEPES             'C8 H18 N2 O4 S' 
238.305 
GLN   'L-peptide linking' y GLUTAMINE                                                     ?                 'C5 H10 N2 O3'   
146.144 
GLU   'L-peptide linking' y 'GLUTAMIC ACID'                                               ?                 'C5 H9 N O4'     
147.129 
GLY   'peptide linking'   y GLYCINE                                                       ?                 'C2 H5 N O2'     
75.067  
HIS   'L-peptide linking' y HISTIDINE                                                     ?                 'C6 H10 N3 O2 1' 
156.162 
HOH   non-polymer         . WATER                                                         ?                 'H2 O'           
18.015  
ILE   'L-peptide linking' y ISOLEUCINE                                                    ?                 'C6 H13 N O2'    
131.173 
LEU   'L-peptide linking' y LEUCINE                                                       ?                 'C6 H13 N O2'    
131.173 
LYS   'L-peptide linking' y LYSINE                                                        ?                 'C6 H15 N2 O2 1' 
147.195 
MET   'L-peptide linking' y METHIONINE                                                    ?                 'C5 H11 N O2 S'  
149.211 
PHE   'L-peptide linking' y PHENYLALANINE                                                 ?                 'C9 H11 N O2'    
165.189 
PRO   'L-peptide linking' y PROLINE                                                       ?                 'C5 H9 N O2'     
115.130 
SER   'L-peptide linking' y SERINE                                                        ?                 'C3 H7 N O3'     
105.093 
SO4   non-polymer         . 'SULFATE ION'                                                 ?                 'O4 S -2'        
96.063  
THR   'L-peptide linking' y THREONINE                                                     ?                 'C4 H9 N O3'     
119.119 
TRP   'L-peptide linking' y TRYPTOPHAN                                                    ?                 'C11 H12 N2 O2'  
204.225 
TYR   'L-peptide linking' y TYROSINE                                                      ?                 'C9 H11 N O3'    
181.189 
VAL   'L-peptide linking' y VALINE                                                        ?                 'C5 H11 N O2'    
117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   MET 1   7   ?   ?   ?   B . n 
A 1 2   HIS 2   8   8   HIS HIS B . n 
A 1 3   HIS 3   9   9   HIS HIS B . n 
A 1 4   HIS 4   10  10  HIS HIS B . n 
A 1 5   HIS 5   11  11  HIS HIS B . n 
A 1 6   HIS 6   12  12  HIS HIS B . n 
A 1 7   HIS 7   13  13  HIS HIS B . n 
A 1 8   MET 8   14  14  MET MET B . n 
A 1 9   VAL 9   15  15  VAL VAL B . n 
A 1 10  HIS 10  16  16  HIS HIS B . n 
A 1 11  ILE 11  17  17  ILE ILE B . n 
A 1 12  THR 12  18  18  THR THR B . n 
A 1 13  LEU 13  19  19  LEU LEU B . n 
A 1 14  ASP 14  20  20  ASP ASP B . n 
A 1 15  ARG 15  21  21  ARG ARG B . n 
A 1 16  ASN 16  22  22  ASN ASN B . n 
A 1 17  THR 17  23  23  THR THR B . n 
A 1 18  ALA 18  24  24  ALA ALA B . n 
A 1 19  ASN 19  25  25  ASN ASN B . n 
A 1 20  SER 20  26  26  SER SER B . n 
A 1 21  TRP 21  27  27  TRP TRP B . n 
A 1 22  LEU 22  28  28  LEU LEU B . n 
A 1 23  ILE 23  29  29  ILE ILE B . n 
A 1 24  ILE 24  30  30  ILE ILE B . n 
A 1 25  SER 25  31  31  SER SER B . n 
A 1 26  LYS 26  32  32  LYS LYS B . n 
A 1 27  ASP 27  33  33  ASP ASP B . n 
A 1 28  ARG 28  34  34  ARG ARG B . n 
A 1 29  ARG 29  35  35  ARG ARG B . n 
A 1 30  GLN 30  36  36  GLN GLN B . n 
A 1 31  VAL 31  37  37  VAL VAL B . n 
A 1 32  ARG 32  38  38  ARG ARG B . n 
A 1 33  MET 33  39  39  MET MET B . n 
A 1 34  GLY 34  40  40  GLY GLY B . n 
A 1 35  ASP 35  41  41  ASP ASP B . n 
A 1 36  THR 36  42  42  THR THR B . n 
A 1 37  HIS 37  43  43  HIS HIS B . n 
A 1 38  GLN 38  44  44  GLN GLN B . n 
A 1 39  ASN 39  45  45  ASN ASN B . n 
A 1 40  VAL 40  46  46  VAL VAL B . n 
A 1 41  SER 41  47  47  SER SER B . n 
A 1 42  ASP 42  48  48  ASP ASP B . n 
A 1 43  ASN 43  49  49  ASN ASN B . n 
A 1 44  LYS 44  50  50  LYS LYS B . n 
A 1 45  GLU 45  51  51  GLU GLU B . n 
A 1 46  ARG 46  52  52  ARG ARG B . n 
A 1 47  PHE 47  53  53  PHE PHE B . n 
A 1 48  SER 48  54  54  SER SER B . n 
A 1 49  ASN 49  55  55  ASN ASN B . n 
A 1 50  TYR 50  56  56  TYR TYR B . n 
A 1 51  PRO 51  57  57  PRO PRO B . n 
A 1 52  MET 52  58  58  MET MET B . n 
A 1 53  VAL 53  59  59  VAL VAL B . n 
A 1 54  LEU 54  60  60  LEU LEU B . n 
A 1 55  GLY 55  61  61  GLY GLY B . n 
A 1 56  ALA 56  62  62  ALA ALA B . n 
A 1 57  GLN 57  63  63  GLN GLN B . n 
A 1 58  ARG 58  64  64  ARG ARG B . n 
A 1 59  PHE 59  65  65  PHE PHE B . n 
A 1 60  SER 60  66  66  SER SER B . n 
A 1 61  SER 61  67  67  SER SER B . n 
A 1 62  GLY 62  68  68  GLY GLY B . n 
A 1 63  LYS 63  69  69  LYS LYS B . n 
A 1 64  MET 64  70  70  MET MET B . n 
A 1 65  TYR 65  71  71  TYR TYR B . n 
A 1 66  TRP 66  72  72  TRP TRP B . n 
A 1 67  GLU 67  73  73  GLU GLU B . n 
A 1 68  VAL 68  74  74  VAL VAL B . n 
A 1 69  ASP 69  75  75  ASP ASP B . n 
A 1 70  VAL 70  76  76  VAL VAL B . n 
A 1 71  THR 71  77  77  THR THR B . n 
A 1 72  GLN 72  78  78  GLN GLN B . n 
A 1 73  LYS 73  79  79  LYS LYS B . n 
A 1 74  GLU 74  80  80  GLU GLU B . n 
A 1 75  ALA 75  81  81  ALA ALA B . n 
A 1 76  TRP 76  82  82  TRP TRP B . n 
A 1 77  ASP 77  83  83  ASP ASP B . n 
A 1 78  LEU 78  84  84  LEU LEU B . n 
A 1 79  GLY 79  85  85  GLY GLY B . n 
A 1 80  VAL 80  86  86  VAL VAL B . n 
A 1 81  CYS 81  87  87  CYS CYS B . n 
A 1 82  ARG 82  88  88  ARG ARG B . n 
A 1 83  ASP 83  89  89  ASP ASP B . n 
A 1 84  SER 84  90  90  SER SER B . n 
A 1 85  VAL 85  91  91  VAL VAL B . n 
A 1 86  GLN 86  92  92  GLN GLN B . n 
A 1 87  ARG 87  93  93  ARG ARG B . n 
A 1 88  LYS 88  94  94  LYS LYS B . n 
A 1 89  GLY 89  95  95  GLY GLY B . n 
A 1 90  GLN 90  96  96  GLN GLN B . n 
A 1 91  PHE 91  97  97  PHE PHE B . n 
A 1 92  SER 92  98  98  SER SER B . n 
A 1 93  LEU 93  99  99  LEU LEU B . n 
A 1 94  SER 94  100 100 SER SER B . n 
A 1 95  PRO 95  101 101 PRO PRO B . n 
A 1 96  GLU 96  102 102 GLU GLU B . n 
A 1 97  ASN 97  103 103 ASN ASN B . n 
A 1 98  GLY 98  104 104 GLY GLY B . n 
A 1 99  PHE 99  105 105 PHE PHE B . n 
A 1 100 TRP 100 106 106 TRP TRP B . n 
A 1 101 THR 101 107 107 THR THR B . n 
A 1 102 ILE 102 108 108 ILE ILE B . n 
A 1 103 TRP 103 109 109 TRP TRP B . n 
A 1 104 LEU 104 110 110 LEU LEU B . n 
A 1 105 TRP 105 111 111 TRP TRP B . n 
A 1 106 GLN 106 112 112 GLN GLN B . n 
A 1 107 ASP 107 113 113 ASP ASP B . n 
A 1 108 SER 108 114 114 SER SER B . n 
A 1 109 TYR 109 115 115 TYR TYR B . n 
A 1 110 GLU 110 116 116 GLU GLU B . n 
A 1 111 ALA 111 117 117 ALA ALA B . n 
A 1 112 GLY 112 118 118 GLY GLY B . n 
A 1 113 THR 113 119 119 THR THR B . n 
A 1 114 SER 114 120 120 SER SER B . n 
A 1 115 PRO 115 121 121 PRO PRO B . n 
A 1 116 GLN 116 122 122 GLN GLN B . n 
A 1 117 THR 117 123 123 THR THR B . n 
A 1 118 THR 118 124 124 THR THR B . n 
A 1 119 LEU 119 125 125 LEU LEU B . n 
A 1 120 HIS 120 126 126 HIS HIS B . n 
A 1 121 ILE 121 127 127 ILE ILE B . n 
A 1 122 GLN 122 128 128 GLN GLN B . n 
A 1 123 VAL 123 129 129 VAL VAL B . n 
A 1 124 PRO 124 130 130 PRO PRO B . n 
A 1 125 PRO 125 131 131 PRO PRO B . n 
A 1 126 CYS 126 132 132 CYS CYS B . n 
A 1 127 GLN 127 133 133 GLN GLN B . n 
A 1 128 ILE 128 134 134 ILE ILE B . n 
A 1 129 GLY 129 135 135 GLY GLY B . n 
A 1 130 ILE 130 136 136 ILE ILE B . n 
A 1 131 PHE 131 137 137 PHE PHE B . n 
A 1 132 VAL 132 138 138 VAL VAL B . n 
A 1 133 ASP 133 139 139 ASP ASP B . n 
A 1 134 TYR 134 140 140 TYR TYR B . n 
A 1 135 GLU 135 141 141 GLU GLU B . n 
A 1 136 ALA 136 142 142 ALA ALA B . n 
A 1 137 GLY 137 143 143 GLY GLY B . n 
A 1 138 VAL 138 144 144 VAL VAL B . n 
A 1 139 VAL 139 145 145 VAL VAL B . n 
A 1 140 SER 140 146 146 SER SER B . n 
A 1 141 PHE 141 147 147 PHE PHE B . n 
A 1 142 TYR 142 148 148 TYR TYR B . n 
A 1 143 ASN 143 149 149 ASN ASN B . n 
A 1 144 ILE 144 150 150 ILE ILE B . n 
A 1 145 THR 145 151 151 THR THR B . n 
A 1 146 ASP 146 152 152 ASP ASP B . n 
A 1 147 HIS 147 153 153 HIS HIS B . n 
A 1 148 GLY 148 154 154 GLY GLY B . n 
A 1 149 SER 149 155 155 SER SER B . n 
A 1 150 LEU 150 156 156 LEU LEU B . n 
A 1 151 ILE 151 157 157 ILE ILE B . n 
A 1 152 TYR 152 158 158 TYR TYR B . n 
A 1 153 THR 153 159 159 THR THR B . n 
A 1 154 PHE 154 160 160 PHE PHE B . n 
A 1 155 SER 155 161 161 SER SER B . n 
A 1 156 GLU 156 162 162 GLU GLU B . n 
A 1 157 CYS 157 163 163 CYS CYS B . n 
A 1 158 VAL 158 164 164 VAL VAL B . n 
A 1 159 PHE 159 165 165 PHE PHE B . n 
A 1 160 ALA 160 166 166 ALA ALA B . n 
A 1 161 GLY 161 167 167 GLY GLY B . n 
A 1 162 PRO 162 168 168 PRO PRO B . n 
A 1 163 LEU 163 169 169 LEU LEU B . n 
A 1 164 ARG 164 170 170 ARG ARG B . n 
A 1 165 PRO 165 171 171 PRO PRO B . n 
A 1 166 PHE 166 172 172 PHE PHE B . n 
A 1 167 PHE 167 173 173 PHE PHE B . n 
A 1 168 ASN 168 174 174 ASN ASN B . n 
A 1 169 VAL 169 175 175 VAL VAL B . n 
A 1 170 GLY 170 176 176 GLY GLY B . n 
A 1 171 PHE 171 177 177 PHE PHE B . n 
A 1 172 ASN 172 178 178 ASN ASN B . n 
A 1 173 TYR 173 179 179 TYR TYR B . n 
A 1 174 SER 174 180 180 SER SER B . n 
A 1 175 GLY 175 181 181 GLY GLY B . n 
A 1 176 GLY 176 182 182 GLY GLY B . n 
A 1 177 ASN 177 183 183 ASN ASN B . n 
A 1 178 ALA 178 184 184 ALA ALA B . n 
A 1 179 ALA 179 185 185 ALA ALA B . n 
A 1 180 PRO 180 186 186 PRO PRO B . n 
A 1 181 LEU 181 187 187 LEU LEU B . n 
A 1 182 LYS 182 188 188 LYS LYS B . n 
A 1 183 LEU 183 189 189 LEU LEU B . n 
A 1 184 CYS 184 190 190 CYS CYS B . n 
A 1 185 PRO 185 191 191 PRO PRO B . n 
A 1 186 LEU 186 192 192 LEU LEU B . n 
A 1 187 LYS 187 193 ?   ?   ?   B . n 
A 1 188 MET 188 194 ?   ?   ?   B . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1BFP 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1BFP 
_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 A1BFP 1   202 301 A1BFP LIG B . 
D 4 EPE   1   203 302 EPE   EPE B . 
E 2 EDO   1   204 305 EDO   EDO B . 
F 5 SO4   1   205 1   SO4   SO4 B . 
G 6 HOH   1   301 29  HOH   HOH B . 
G 6 HOH   2   302 4   HOH   HOH B . 
G 6 HOH   3   303 12  HOH   HOH B . 
G 6 HOH   4   304 11  HOH   HOH B . 
G 6 HOH   5   305 2   HOH   HOH B . 
G 6 HOH   6   306 120 HOH   HOH B . 
G 6 HOH   7   307 1   HOH   HOH B . 
G 6 HOH   8   308 21  HOH   HOH B . 
G 6 HOH   9   309 16  HOH   HOH B . 
G 6 HOH   10  310 26  HOH   HOH B . 
G 6 HOH   11  311 40  HOH   HOH B . 
G 6 HOH   12  312 99  HOH   HOH B . 
G 6 HOH   13  313 33  HOH   HOH B . 
G 6 HOH   14  314 63  HOH   HOH B . 
G 6 HOH   15  315 51  HOH   HOH B . 
G 6 HOH   16  316 27  HOH   HOH B . 
G 6 HOH   17  317 25  HOH   HOH B . 
G 6 HOH   18  318 80  HOH   HOH B . 
G 6 HOH   19  319 90  HOH   HOH B . 
G 6 HOH   20  320 31  HOH   HOH B . 
G 6 HOH   21  321 11  HOH   HOH B . 
G 6 HOH   22  322 5   HOH   HOH B . 
G 6 HOH   23  323 102 HOH   HOH B . 
G 6 HOH   24  324 126 HOH   HOH B . 
G 6 HOH   25  325 100 HOH   HOH B . 
G 6 HOH   26  326 16  HOH   HOH B . 
G 6 HOH   27  327 95  HOH   HOH B . 
G 6 HOH   28  328 70  HOH   HOH B . 
G 6 HOH   29  329 10  HOH   HOH B . 
G 6 HOH   30  330 62  HOH   HOH B . 
G 6 HOH   31  331 34  HOH   HOH B . 
G 6 HOH   32  332 72  HOH   HOH B . 
G 6 HOH   33  333 39  HOH   HOH B . 
G 6 HOH   34  334 7   HOH   HOH B . 
G 6 HOH   35  335 211 HOH   HOH B . 
G 6 HOH   36  336 2   HOH   HOH B . 
G 6 HOH   37  337 58  HOH   HOH B . 
G 6 HOH   38  338 27  HOH   HOH B . 
G 6 HOH   39  339 68  HOH   HOH B . 
G 6 HOH   40  340 184 HOH   HOH B . 
G 6 HOH   41  341 129 HOH   HOH B . 
G 6 HOH   42  342 81  HOH   HOH B . 
G 6 HOH   43  343 89  HOH   HOH B . 
G 6 HOH   44  344 22  HOH   HOH B . 
G 6 HOH   45  345 157 HOH   HOH B . 
G 6 HOH   46  346 36  HOH   HOH B . 
G 6 HOH   47  347 20  HOH   HOH B . 
G 6 HOH   48  348 267 HOH   HOH B . 
G 6 HOH   49  349 18  HOH   HOH B . 
G 6 HOH   50  350 85  HOH   HOH B . 
G 6 HOH   51  351 26  HOH   HOH B . 
G 6 HOH   52  352 10  HOH   HOH B . 
G 6 HOH   53  353 86  HOH   HOH B . 
G 6 HOH   54  354 29  HOH   HOH B . 
G 6 HOH   55  355 116 HOH   HOH B . 
G 6 HOH   56  356 15  HOH   HOH B . 
G 6 HOH   57  357 43  HOH   HOH B . 
G 6 HOH   58  358 50  HOH   HOH B . 
G 6 HOH   59  359 55  HOH   HOH B . 
G 6 HOH   60  360 73  HOH   HOH B . 
G 6 HOH   61  361 6   HOH   HOH B . 
G 6 HOH   62  362 66  HOH   HOH B . 
G 6 HOH   63  363 76  HOH   HOH B . 
G 6 HOH   64  364 47  HOH   HOH B . 
G 6 HOH   65  365 19  HOH   HOH B . 
G 6 HOH   66  366 3   HOH   HOH B . 
G 6 HOH   67  367 1   HOH   HOH B . 
G 6 HOH   68  368 59  HOH   HOH B . 
G 6 HOH   69  369 264 HOH   HOH B . 
G 6 HOH   70  370 172 HOH   HOH B . 
G 6 HOH   71  371 71  HOH   HOH B . 
G 6 HOH   72  372 93  HOH   HOH B . 
G 6 HOH   73  373 61  HOH   HOH B . 
G 6 HOH   74  374 304 HOH   HOH B . 
G 6 HOH   75  375 8   HOH   HOH B . 
G 6 HOH   76  376 4   HOH   HOH B . 
G 6 HOH   77  377 13  HOH   HOH B . 
G 6 HOH   78  378 25  HOH   HOH B . 
G 6 HOH   79  379 32  HOH   HOH B . 
G 6 HOH   80  380 5   HOH   HOH B . 
G 6 HOH   81  381 17  HOH   HOH B . 
G 6 HOH   82  382 33  HOH   HOH B . 
G 6 HOH   83  383 3   HOH   HOH B . 
G 6 HOH   84  384 9   HOH   HOH B . 
G 6 HOH   85  385 60  HOH   HOH B . 
G 6 HOH   86  386 14  HOH   HOH B . 
G 6 HOH   87  387 303 HOH   HOH B . 
G 6 HOH   88  388 82  HOH   HOH B . 
G 6 HOH   89  389 46  HOH   HOH B . 
G 6 HOH   90  390 32  HOH   HOH B . 
G 6 HOH   91  391 24  HOH   HOH B . 
G 6 HOH   92  392 97  HOH   HOH B . 
G 6 HOH   93  393 12  HOH   HOH B . 
G 6 HOH   94  394 48  HOH   HOH B . 
G 6 HOH   95  395 64  HOH   HOH B . 
G 6 HOH   96  396 8   HOH   HOH B . 
G 6 HOH   97  397 125 HOH   HOH B . 
G 6 HOH   98  398 49  HOH   HOH B . 
G 6 HOH   99  399 23  HOH   HOH B . 
G 6 HOH   100 400 137 HOH   HOH B . 
G 6 HOH   101 401 56  HOH   HOH B . 
G 6 HOH   102 402 281 HOH   HOH B . 
G 6 HOH   103 403 30  HOH   HOH B . 
G 6 HOH   104 404 197 HOH   HOH B . 
G 6 HOH   105 405 20  HOH   HOH B . 
G 6 HOH   106 406 257 HOH   HOH B . 
G 6 HOH   107 407 42  HOH   HOH B . 
G 6 HOH   108 408 7   HOH   HOH B . 
G 6 HOH   109 409 263 HOH   HOH B . 
G 6 HOH   110 410 15  HOH   HOH B . 
G 6 HOH   111 411 112 HOH   HOH B . 
G 6 HOH   112 412 22  HOH   HOH B . 
G 6 HOH   113 413 214 HOH   HOH B . 
G 6 HOH   114 414 38  HOH   HOH B . 
G 6 HOH   115 415 140 HOH   HOH B . 
G 6 HOH   116 416 54  HOH   HOH B . 
G 6 HOH   117 417 18  HOH   HOH B . 
G 6 HOH   118 418 57  HOH   HOH B . 
G 6 HOH   119 419 154 HOH   HOH B . 
G 6 HOH   120 420 44  HOH   HOH B . 
G 6 HOH   121 421 45  HOH   HOH B . 
G 6 HOH   122 422 53  HOH   HOH B . 
G 6 HOH   123 423 69  HOH   HOH B . 
G 6 HOH   124 424 41  HOH   HOH B . 
G 6 HOH   125 425 103 HOH   HOH B . 
G 6 HOH   126 426 19  HOH   HOH B . 
G 6 HOH   127 427 30  HOH   HOH B . 
G 6 HOH   128 428 133 HOH   HOH B . 
G 6 HOH   129 429 266 HOH   HOH B . 
G 6 HOH   130 430 114 HOH   HOH B . 
G 6 HOH   131 431 115 HOH   HOH B . 
G 6 HOH   132 432 107 HOH   HOH B . 
G 6 HOH   133 433 23  HOH   HOH B . 
G 6 HOH   134 434 21  HOH   HOH B . 
G 6 HOH   135 435 98  HOH   HOH B . 
G 6 HOH   136 436 13  HOH   HOH B . 
G 6 HOH   137 437 31  HOH   HOH B . 
G 6 HOH   138 438 104 HOH   HOH B . 
G 6 HOH   139 439 205 HOH   HOH B . 
G 6 HOH   140 440 166 HOH   HOH B . 
G 6 HOH   141 441 127 HOH   HOH B . 
G 6 HOH   142 442 259 HOH   HOH B . 
G 6 HOH   143 443 14  HOH   HOH B . 
G 6 HOH   144 444 131 HOH   HOH B . 
G 6 HOH   145 445 270 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           7HN2 
_cell.length_a           95.522 
_cell.length_b           95.522 
_cell.length_c           45.748 
_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                         7HN2 
_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          7HN2 
_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   49.09 
_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                     7HN2 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             41.260 
_reflns.d_resolution_high            1.230 
_reflns.number_obs                   57340 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         95.600 
_reflns.pdbx_Rmerge_I_obs            0.063 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        17.800 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              10.200 
_reflns.pdbx_Rrim_I_all              0.065 
_reflns.pdbx_Rpim_I_all              0.019 
_reflns.pdbx_CC_half                 0.999 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     583990 
_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 1.230 1.250  ? 4437 1901 ? 1.018 ? ? ? 2.300  ? 0.400   ? ? ? ? ? ? 63.600 1.305 0.802 0.358 
1 2 6.740 41.260 ? 5019 401  ? 0.043 ? ? ? 12.500 ? 100.500 ? ? ? ? ? ? 99.700 0.045 0.014 0.992 
# 
_refine.entry_id                                 7HN2 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.2300 
_refine.ls_d_res_low                             41.2900 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    95.4200 
_refine.ls_number_reflns_obs                     54392 
_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                          0.1779 
_refine.ls_R_factor_R_work                       0.1769 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.1982 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.9000 
_refine.ls_number_reflns_R_free                  2780 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               16.5990 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.1700 
_refine.aniso_B[2][2]                            0.1700 
_refine.aniso_B[3][3]                            -0.3400 
_refine.aniso_B[1][2]                            0.0000 
_refine.aniso_B[1][3]                            0.0000 
_refine.aniso_B[2][3]                            -0.0000 
_refine.correlation_coeff_Fo_to_Fc               0.9710 
_refine.correlation_coeff_Fo_to_Fc_free          0.9630 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.overall_SU_R_free                        ? 
_refine.pdbx_overall_ESU_R                       0.0460 
_refine.pdbx_overall_ESU_R_Free                  0.0470 
_refine.overall_SU_ML                            0.0400 
_refine.overall_SU_B                             0.9800 
_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                                80.100 
_refine.B_iso_min                                8.220 
_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                       1.2300 
_refine_hist.d_res_low                        41.2900 
_refine_hist.pdbx_number_atoms_ligand         42 
_refine_hist.number_atoms_solvent             145 
_refine_hist.number_atoms_total               1680 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           37.06 
_refine_hist.pdbx_B_iso_mean_solvent          26.98 
_refine_hist.pdbx_number_atoms_protein        1493 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.type 
_refine_ls_restr.number 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' r_bond_refined_d       2033 0.013  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1642 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2544 1.872  1.643  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3799 1.440  1.577  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 235  7.008  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 107  28.546 21.215 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 285  10.899 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   21.783 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         221  0.089  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2226 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     492  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            947  1.403  1.421  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         942  1.390  1.407  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1129 2.243  2.120  ? ? 
# 
_refine_ls_shell.d_res_high                       1.2300 
_refine_ls_shell.d_res_low                        1.2620 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               62.9400 
_refine_ls_shell.number_reflns_R_work             2620 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3450 
_refine_ls_shell.R_factor_R_free                  0.3440 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             131 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                2751 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HN2 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1002247062' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HN2 
_struct_keywords.text            'SGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, TRIM21, LIGASE' 
_struct_keywords.pdbx_keywords   LIGASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
E N N 2 ? 
F N N 5 ? 
G N N 6 ? 
# 
_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              7HN2 
_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 7HN2 MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HN2 HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HN2 HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HN2 HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HN2 HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HN2 HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HN2 HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HN2 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,G 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 4  ? MET A 8  ? HIS B 10  MET B 14  5 ? 5 
HELX_P HELX_P2 AA2 ASP A 14 ? ALA A 18 ? ASP B 20  ALA B 24  5 ? 5 
HELX_P HELX_P3 AA3 SER A 94 ? ASN A 97 ? SER B 100 ASN B 103 5 ? 4 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           114 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            120 
_struct_mon_prot_cis.auth_asym_id           B 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    115 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     121 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    B 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       0.51 
# 
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                   7HN2 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_rmsd_bond.id                        1 
_pdbx_validate_rmsd_bond.PDB_model_num             1 
_pdbx_validate_rmsd_bond.auth_atom_id_1            CD 
_pdbx_validate_rmsd_bond.auth_asym_id_1            B 
_pdbx_validate_rmsd_bond.auth_comp_id_1            GLU 
_pdbx_validate_rmsd_bond.auth_seq_id_1             141 
_pdbx_validate_rmsd_bond.PDB_ins_code_1            ? 
_pdbx_validate_rmsd_bond.label_alt_id_1            ? 
_pdbx_validate_rmsd_bond.auth_atom_id_2            OE1 
_pdbx_validate_rmsd_bond.auth_asym_id_2            B 
_pdbx_validate_rmsd_bond.auth_comp_id_2            GLU 
_pdbx_validate_rmsd_bond.auth_seq_id_2             141 
_pdbx_validate_rmsd_bond.PDB_ins_code_2            ? 
_pdbx_validate_rmsd_bond.label_alt_id_2            ? 
_pdbx_validate_rmsd_bond.bond_value                1.184 
_pdbx_validate_rmsd_bond.bond_target_value         1.252 
_pdbx_validate_rmsd_bond.bond_deviation            -0.068 
_pdbx_validate_rmsd_bond.bond_standard_deviation   0.011 
_pdbx_validate_rmsd_bond.linker_flag               N 
# 
loop_
_pdbx_validate_rmsd_angle.id 
_pdbx_validate_rmsd_angle.PDB_model_num 
_pdbx_validate_rmsd_angle.auth_atom_id_1 
_pdbx_validate_rmsd_angle.auth_asym_id_1 
_pdbx_validate_rmsd_angle.auth_comp_id_1 
_pdbx_validate_rmsd_angle.auth_seq_id_1 
_pdbx_validate_rmsd_angle.PDB_ins_code_1 
_pdbx_validate_rmsd_angle.label_alt_id_1 
_pdbx_validate_rmsd_angle.auth_atom_id_2 
_pdbx_validate_rmsd_angle.auth_asym_id_2 
_pdbx_validate_rmsd_angle.auth_comp_id_2 
_pdbx_validate_rmsd_angle.auth_seq_id_2 
_pdbx_validate_rmsd_angle.PDB_ins_code_2 
_pdbx_validate_rmsd_angle.label_alt_id_2 
_pdbx_validate_rmsd_angle.auth_atom_id_3 
_pdbx_validate_rmsd_angle.auth_asym_id_3 
_pdbx_validate_rmsd_angle.auth_comp_id_3 
_pdbx_validate_rmsd_angle.auth_seq_id_3 
_pdbx_validate_rmsd_angle.PDB_ins_code_3 
_pdbx_validate_rmsd_angle.label_alt_id_3 
_pdbx_validate_rmsd_angle.angle_value 
_pdbx_validate_rmsd_angle.angle_target_value 
_pdbx_validate_rmsd_angle.angle_deviation 
_pdbx_validate_rmsd_angle.angle_standard_deviation 
_pdbx_validate_rmsd_angle.linker_flag 
1 1 NE B ARG 38 ? ? CZ B ARG 38 ? ? NH2 B ARG 38 ? ? 116.79 120.30 -3.51 0.50 N 
2 1 CG B ARG 64 ? ? CD B ARG 64 ? ? NE  B ARG 64 ? ? 127.15 111.80 15.35 2.10 N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASN B 45  ? ? 70.11   35.98 
2 1 ASP B 152 ? ? -103.27 51.51 
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    B 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     430 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   G 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
_phasing.method   MR 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 B MET 7   ? A MET 1   
2 1 Y 1 B LYS 193 ? A LYS 187 
3 1 Y 1 B MET 194 ? A MET 188 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
A1BFP N1   N N N 1   
A1BFP N3   N Y N 2   
A1BFP C4   C N S 3   
A1BFP C5   C N N 4   
A1BFP C6   C Y N 5   
A1BFP C7   C Y N 6   
A1BFP C8   C Y N 7   
A1BFP C1   C N N 8   
A1BFP C2   C N N 9   
A1BFP C3   C N N 10  
A1BFP C9   C N N 11  
A1BFP N2   N N N 12  
A1BFP O1   O N N 13  
A1BFP S1   S Y N 14  
A1BFP H8   H N N 15  
A1BFP H9   H N N 16  
A1BFP H10  H N N 17  
A1BFP H12  H N N 18  
A1BFP H13  H N N 19  
A1BFP H1   H N N 20  
A1BFP H2   H N N 21  
A1BFP H3   H N N 22  
A1BFP H5   H N N 23  
A1BFP H4   H N N 24  
A1BFP H7   H N N 25  
A1BFP H6   H N N 26  
A1BFP H14  H N N 27  
A1BFP H15  H N N 28  
A1BFP H11  H N N 29  
ALA   N    N N N 30  
ALA   CA   C N S 31  
ALA   C    C N N 32  
ALA   O    O N N 33  
ALA   CB   C N N 34  
ALA   OXT  O N N 35  
ALA   H    H N N 36  
ALA   H2   H N N 37  
ALA   HA   H N N 38  
ALA   HB1  H N N 39  
ALA   HB2  H N N 40  
ALA   HB3  H N N 41  
ALA   HXT  H N N 42  
ARG   N    N N N 43  
ARG   CA   C N S 44  
ARG   C    C N N 45  
ARG   O    O N N 46  
ARG   CB   C N N 47  
ARG   CG   C N N 48  
ARG   CD   C N N 49  
ARG   NE   N N N 50  
ARG   CZ   C N N 51  
ARG   NH1  N N N 52  
ARG   NH2  N N N 53  
ARG   OXT  O N N 54  
ARG   H    H N N 55  
ARG   H2   H N N 56  
ARG   HA   H N N 57  
ARG   HB2  H N N 58  
ARG   HB3  H N N 59  
ARG   HG2  H N N 60  
ARG   HG3  H N N 61  
ARG   HD2  H N N 62  
ARG   HD3  H N N 63  
ARG   HE   H N N 64  
ARG   HH11 H N N 65  
ARG   HH12 H N N 66  
ARG   HH21 H N N 67  
ARG   HH22 H N N 68  
ARG   HXT  H N N 69  
ASN   N    N N N 70  
ASN   CA   C N S 71  
ASN   C    C N N 72  
ASN   O    O N N 73  
ASN   CB   C N N 74  
ASN   CG   C N N 75  
ASN   OD1  O N N 76  
ASN   ND2  N N N 77  
ASN   OXT  O N N 78  
ASN   H    H N N 79  
ASN   H2   H N N 80  
ASN   HA   H N N 81  
ASN   HB2  H N N 82  
ASN   HB3  H N N 83  
ASN   HD21 H N N 84  
ASN   HD22 H N N 85  
ASN   HXT  H N N 86  
ASP   N    N N N 87  
ASP   CA   C N S 88  
ASP   C    C N N 89  
ASP   O    O N N 90  
ASP   CB   C N N 91  
ASP   CG   C N N 92  
ASP   OD1  O N N 93  
ASP   OD2  O N N 94  
ASP   OXT  O N N 95  
ASP   H    H N N 96  
ASP   H2   H N N 97  
ASP   HA   H N N 98  
ASP   HB2  H N N 99  
ASP   HB3  H N N 100 
ASP   HD2  H N N 101 
ASP   HXT  H N N 102 
CYS   N    N N N 103 
CYS   CA   C N R 104 
CYS   C    C N N 105 
CYS   O    O N N 106 
CYS   CB   C N N 107 
CYS   SG   S N N 108 
CYS   OXT  O N N 109 
CYS   H    H N N 110 
CYS   H2   H N N 111 
CYS   HA   H N N 112 
CYS   HB2  H N N 113 
CYS   HB3  H N N 114 
CYS   HG   H N N 115 
CYS   HXT  H N N 116 
EDO   C1   C N N 117 
EDO   O1   O N N 118 
EDO   C2   C N N 119 
EDO   O2   O N N 120 
EDO   H11  H N N 121 
EDO   H12  H N N 122 
EDO   HO1  H N N 123 
EDO   H21  H N N 124 
EDO   H22  H N N 125 
EDO   HO2  H N N 126 
EPE   N1   N N N 127 
EPE   C2   C N N 128 
EPE   C3   C N N 129 
EPE   N4   N N N 130 
EPE   C5   C N N 131 
EPE   C6   C N N 132 
EPE   C7   C N N 133 
EPE   C8   C N N 134 
EPE   O8   O N N 135 
EPE   C9   C N N 136 
EPE   C10  C N N 137 
EPE   S    S N N 138 
EPE   O1S  O N N 139 
EPE   O2S  O N N 140 
EPE   O3S  O N N 141 
EPE   H21  H N N 142 
EPE   H22  H N N 143 
EPE   H31  H N N 144 
EPE   H32  H N N 145 
EPE   H51  H N N 146 
EPE   H52  H N N 147 
EPE   H61  H N N 148 
EPE   H62  H N N 149 
EPE   H71  H N N 150 
EPE   H72  H N N 151 
EPE   H81  H N N 152 
EPE   H82  H N N 153 
EPE   HO8  H N N 154 
EPE   H91  H N N 155 
EPE   H92  H N N 156 
EPE   H101 H N N 157 
EPE   H102 H N N 158 
EPE   HOS3 H N N 159 
GLN   N    N N N 160 
GLN   CA   C N S 161 
GLN   C    C N N 162 
GLN   O    O N N 163 
GLN   CB   C N N 164 
GLN   CG   C N N 165 
GLN   CD   C N N 166 
GLN   OE1  O N N 167 
GLN   NE2  N N N 168 
GLN   OXT  O N N 169 
GLN   H    H N N 170 
GLN   H2   H N N 171 
GLN   HA   H N N 172 
GLN   HB2  H N N 173 
GLN   HB3  H N N 174 
GLN   HG2  H N N 175 
GLN   HG3  H N N 176 
GLN   HE21 H N N 177 
GLN   HE22 H N N 178 
GLN   HXT  H N N 179 
GLU   N    N N N 180 
GLU   CA   C N S 181 
GLU   C    C N N 182 
GLU   O    O N N 183 
GLU   CB   C N N 184 
GLU   CG   C N N 185 
GLU   CD   C N N 186 
GLU   OE1  O N N 187 
GLU   OE2  O N N 188 
GLU   OXT  O N N 189 
GLU   H    H N N 190 
GLU   H2   H N N 191 
GLU   HA   H N N 192 
GLU   HB2  H N N 193 
GLU   HB3  H N N 194 
GLU   HG2  H N N 195 
GLU   HG3  H N N 196 
GLU   HE2  H N N 197 
GLU   HXT  H N N 198 
GLY   N    N N N 199 
GLY   CA   C N N 200 
GLY   C    C N N 201 
GLY   O    O N N 202 
GLY   OXT  O N N 203 
GLY   H    H N N 204 
GLY   H2   H N N 205 
GLY   HA2  H N N 206 
GLY   HA3  H N N 207 
GLY   HXT  H N N 208 
HIS   N    N N N 209 
HIS   CA   C N S 210 
HIS   C    C N N 211 
HIS   O    O N N 212 
HIS   CB   C N N 213 
HIS   CG   C Y N 214 
HIS   ND1  N Y N 215 
HIS   CD2  C Y N 216 
HIS   CE1  C Y N 217 
HIS   NE2  N Y N 218 
HIS   OXT  O N N 219 
HIS   H    H N N 220 
HIS   H2   H N N 221 
HIS   HA   H N N 222 
HIS   HB2  H N N 223 
HIS   HB3  H N N 224 
HIS   HD1  H N N 225 
HIS   HD2  H N N 226 
HIS   HE1  H N N 227 
HIS   HE2  H N N 228 
HIS   HXT  H N N 229 
HOH   O    O N N 230 
HOH   H1   H N N 231 
HOH   H2   H N N 232 
ILE   N    N N N 233 
ILE   CA   C N S 234 
ILE   C    C N N 235 
ILE   O    O N N 236 
ILE   CB   C N S 237 
ILE   CG1  C N N 238 
ILE   CG2  C N N 239 
ILE   CD1  C N N 240 
ILE   OXT  O N N 241 
ILE   H    H N N 242 
ILE   H2   H N N 243 
ILE   HA   H N N 244 
ILE   HB   H N N 245 
ILE   HG12 H N N 246 
ILE   HG13 H N N 247 
ILE   HG21 H N N 248 
ILE   HG22 H N N 249 
ILE   HG23 H N N 250 
ILE   HD11 H N N 251 
ILE   HD12 H N N 252 
ILE   HD13 H N N 253 
ILE   HXT  H N N 254 
LEU   N    N N N 255 
LEU   CA   C N S 256 
LEU   C    C N N 257 
LEU   O    O N N 258 
LEU   CB   C N N 259 
LEU   CG   C N N 260 
LEU   CD1  C N N 261 
LEU   CD2  C N N 262 
LEU   OXT  O N N 263 
LEU   H    H N N 264 
LEU   H2   H N N 265 
LEU   HA   H N N 266 
LEU   HB2  H N N 267 
LEU   HB3  H N N 268 
LEU   HG   H N N 269 
LEU   HD11 H N N 270 
LEU   HD12 H N N 271 
LEU   HD13 H N N 272 
LEU   HD21 H N N 273 
LEU   HD22 H N N 274 
LEU   HD23 H N N 275 
LEU   HXT  H N N 276 
LYS   N    N N N 277 
LYS   CA   C N S 278 
LYS   C    C N N 279 
LYS   O    O N N 280 
LYS   CB   C N N 281 
LYS   CG   C N N 282 
LYS   CD   C N N 283 
LYS   CE   C N N 284 
LYS   NZ   N N N 285 
LYS   OXT  O N N 286 
LYS   H    H N N 287 
LYS   H2   H N N 288 
LYS   HA   H N N 289 
LYS   HB2  H N N 290 
LYS   HB3  H N N 291 
LYS   HG2  H N N 292 
LYS   HG3  H N N 293 
LYS   HD2  H N N 294 
LYS   HD3  H N N 295 
LYS   HE2  H N N 296 
LYS   HE3  H N N 297 
LYS   HZ1  H N N 298 
LYS   HZ2  H N N 299 
LYS   HZ3  H N N 300 
LYS   HXT  H N N 301 
MET   N    N N N 302 
MET   CA   C N S 303 
MET   C    C N N 304 
MET   O    O N N 305 
MET   CB   C N N 306 
MET   CG   C N N 307 
MET   SD   S N N 308 
MET   CE   C N N 309 
MET   OXT  O N N 310 
MET   H    H N N 311 
MET   H2   H N N 312 
MET   HA   H N N 313 
MET   HB2  H N N 314 
MET   HB3  H N N 315 
MET   HG2  H N N 316 
MET   HG3  H N N 317 
MET   HE1  H N N 318 
MET   HE2  H N N 319 
MET   HE3  H N N 320 
MET   HXT  H N N 321 
PHE   N    N N N 322 
PHE   CA   C N S 323 
PHE   C    C N N 324 
PHE   O    O N N 325 
PHE   CB   C N N 326 
PHE   CG   C Y N 327 
PHE   CD1  C Y N 328 
PHE   CD2  C Y N 329 
PHE   CE1  C Y N 330 
PHE   CE2  C Y N 331 
PHE   CZ   C Y N 332 
PHE   OXT  O N N 333 
PHE   H    H N N 334 
PHE   H2   H N N 335 
PHE   HA   H N N 336 
PHE   HB2  H N N 337 
PHE   HB3  H N N 338 
PHE   HD1  H N N 339 
PHE   HD2  H N N 340 
PHE   HE1  H N N 341 
PHE   HE2  H N N 342 
PHE   HZ   H N N 343 
PHE   HXT  H N N 344 
PRO   N    N N N 345 
PRO   CA   C N S 346 
PRO   C    C N N 347 
PRO   O    O N N 348 
PRO   CB   C N N 349 
PRO   CG   C N N 350 
PRO   CD   C N N 351 
PRO   OXT  O N N 352 
PRO   H    H N N 353 
PRO   HA   H N N 354 
PRO   HB2  H N N 355 
PRO   HB3  H N N 356 
PRO   HG2  H N N 357 
PRO   HG3  H N N 358 
PRO   HD2  H N N 359 
PRO   HD3  H N N 360 
PRO   HXT  H N N 361 
SER   N    N N N 362 
SER   CA   C N S 363 
SER   C    C N N 364 
SER   O    O N N 365 
SER   CB   C N N 366 
SER   OG   O N N 367 
SER   OXT  O N N 368 
SER   H    H N N 369 
SER   H2   H N N 370 
SER   HA   H N N 371 
SER   HB2  H N N 372 
SER   HB3  H N N 373 
SER   HG   H N N 374 
SER   HXT  H N N 375 
SO4   S    S N N 376 
SO4   O1   O N N 377 
SO4   O2   O N N 378 
SO4   O3   O N N 379 
SO4   O4   O N N 380 
THR   N    N N N 381 
THR   CA   C N S 382 
THR   C    C N N 383 
THR   O    O N N 384 
THR   CB   C N R 385 
THR   OG1  O N N 386 
THR   CG2  C N N 387 
THR   OXT  O N N 388 
THR   H    H N N 389 
THR   H2   H N N 390 
THR   HA   H N N 391 
THR   HB   H N N 392 
THR   HG1  H N N 393 
THR   HG21 H N N 394 
THR   HG22 H N N 395 
THR   HG23 H N N 396 
THR   HXT  H N N 397 
TRP   N    N N N 398 
TRP   CA   C N S 399 
TRP   C    C N N 400 
TRP   O    O N N 401 
TRP   CB   C N N 402 
TRP   CG   C Y N 403 
TRP   CD1  C Y N 404 
TRP   CD2  C Y N 405 
TRP   NE1  N Y N 406 
TRP   CE2  C Y N 407 
TRP   CE3  C Y N 408 
TRP   CZ2  C Y N 409 
TRP   CZ3  C Y N 410 
TRP   CH2  C Y N 411 
TRP   OXT  O N N 412 
TRP   H    H N N 413 
TRP   H2   H N N 414 
TRP   HA   H N N 415 
TRP   HB2  H N N 416 
TRP   HB3  H N N 417 
TRP   HD1  H N N 418 
TRP   HE1  H N N 419 
TRP   HE3  H N N 420 
TRP   HZ2  H N N 421 
TRP   HZ3  H N N 422 
TRP   HH2  H N N 423 
TRP   HXT  H N N 424 
TYR   N    N N N 425 
TYR   CA   C N S 426 
TYR   C    C N N 427 
TYR   O    O N N 428 
TYR   CB   C N N 429 
TYR   CG   C Y N 430 
TYR   CD1  C Y N 431 
TYR   CD2  C Y N 432 
TYR   CE1  C Y N 433 
TYR   CE2  C Y N 434 
TYR   CZ   C Y N 435 
TYR   OH   O N N 436 
TYR   OXT  O N N 437 
TYR   H    H N N 438 
TYR   H2   H N N 439 
TYR   HA   H N N 440 
TYR   HB2  H N N 441 
TYR   HB3  H N N 442 
TYR   HD1  H N N 443 
TYR   HD2  H N N 444 
TYR   HE1  H N N 445 
TYR   HE2  H N N 446 
TYR   HH   H N N 447 
TYR   HXT  H N N 448 
VAL   N    N N N 449 
VAL   CA   C N S 450 
VAL   C    C N N 451 
VAL   O    O N N 452 
VAL   CB   C N N 453 
VAL   CG1  C N N 454 
VAL   CG2  C N N 455 
VAL   OXT  O N N 456 
VAL   H    H N N 457 
VAL   H2   H N N 458 
VAL   HA   H N N 459 
VAL   HB   H N N 460 
VAL   HG11 H N N 461 
VAL   HG12 H N N 462 
VAL   HG13 H N N 463 
VAL   HG21 H N N 464 
VAL   HG22 H N N 465 
VAL   HG23 H N N 466 
VAL   HXT  H N N 467 
# 
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 
A1BFP C1  N1   sing N N 1   
A1BFP N1  C2   sing N N 2   
A1BFP C2  C3   sing N N 3   
A1BFP C3  O1   sing N N 4   
A1BFP O1  C4   sing N N 5   
A1BFP C4  C5   sing N N 6   
A1BFP C5  N2   sing N N 7   
A1BFP N2  C6   sing N N 8   
A1BFP C6  N3   doub Y N 9   
A1BFP N3  C7   sing Y N 10  
A1BFP C7  C8   doub Y N 11  
A1BFP C8  S1   sing Y N 12  
A1BFP C4  C9   sing N N 13  
A1BFP N1  C9   sing N N 14  
A1BFP C6  S1   sing Y N 15  
A1BFP C4  H8   sing N N 16  
A1BFP C5  H9   sing N N 17  
A1BFP C5  H10  sing N N 18  
A1BFP C7  H12  sing N N 19  
A1BFP C8  H13  sing N N 20  
A1BFP C1  H1   sing N N 21  
A1BFP C1  H2   sing N N 22  
A1BFP C1  H3   sing N N 23  
A1BFP C2  H5   sing N N 24  
A1BFP C2  H4   sing N N 25  
A1BFP C3  H7   sing N N 26  
A1BFP C3  H6   sing N N 27  
A1BFP C9  H14  sing N N 28  
A1BFP C9  H15  sing N N 29  
A1BFP N2  H11  sing N N 30  
ALA   N   CA   sing N N 31  
ALA   N   H    sing N N 32  
ALA   N   H2   sing N N 33  
ALA   CA  C    sing N N 34  
ALA   CA  CB   sing N N 35  
ALA   CA  HA   sing N N 36  
ALA   C   O    doub N N 37  
ALA   C   OXT  sing N N 38  
ALA   CB  HB1  sing N N 39  
ALA   CB  HB2  sing N N 40  
ALA   CB  HB3  sing N N 41  
ALA   OXT HXT  sing N N 42  
ARG   N   CA   sing N N 43  
ARG   N   H    sing N N 44  
ARG   N   H2   sing N N 45  
ARG   CA  C    sing N N 46  
ARG   CA  CB   sing N N 47  
ARG   CA  HA   sing N N 48  
ARG   C   O    doub N N 49  
ARG   C   OXT  sing N N 50  
ARG   CB  CG   sing N N 51  
ARG   CB  HB2  sing N N 52  
ARG   CB  HB3  sing N N 53  
ARG   CG  CD   sing N N 54  
ARG   CG  HG2  sing N N 55  
ARG   CG  HG3  sing N N 56  
ARG   CD  NE   sing N N 57  
ARG   CD  HD2  sing N N 58  
ARG   CD  HD3  sing N N 59  
ARG   NE  CZ   sing N N 60  
ARG   NE  HE   sing N N 61  
ARG   CZ  NH1  sing N N 62  
ARG   CZ  NH2  doub N N 63  
ARG   NH1 HH11 sing N N 64  
ARG   NH1 HH12 sing N N 65  
ARG   NH2 HH21 sing N N 66  
ARG   NH2 HH22 sing N N 67  
ARG   OXT HXT  sing N N 68  
ASN   N   CA   sing N N 69  
ASN   N   H    sing N N 70  
ASN   N   H2   sing N N 71  
ASN   CA  C    sing N N 72  
ASN   CA  CB   sing N N 73  
ASN   CA  HA   sing N N 74  
ASN   C   O    doub N N 75  
ASN   C   OXT  sing N N 76  
ASN   CB  CG   sing N N 77  
ASN   CB  HB2  sing N N 78  
ASN   CB  HB3  sing N N 79  
ASN   CG  OD1  doub N N 80  
ASN   CG  ND2  sing N N 81  
ASN   ND2 HD21 sing N N 82  
ASN   ND2 HD22 sing N N 83  
ASN   OXT HXT  sing N N 84  
ASP   N   CA   sing N N 85  
ASP   N   H    sing N N 86  
ASP   N   H2   sing N N 87  
ASP   CA  C    sing N N 88  
ASP   CA  CB   sing N N 89  
ASP   CA  HA   sing N N 90  
ASP   C   O    doub N N 91  
ASP   C   OXT  sing N N 92  
ASP   CB  CG   sing N N 93  
ASP   CB  HB2  sing N N 94  
ASP   CB  HB3  sing N N 95  
ASP   CG  OD1  doub N N 96  
ASP   CG  OD2  sing N N 97  
ASP   OD2 HD2  sing N N 98  
ASP   OXT HXT  sing N N 99  
CYS   N   CA   sing N N 100 
CYS   N   H    sing N N 101 
CYS   N   H2   sing N N 102 
CYS   CA  C    sing N N 103 
CYS   CA  CB   sing N N 104 
CYS   CA  HA   sing N N 105 
CYS   C   O    doub N N 106 
CYS   C   OXT  sing N N 107 
CYS   CB  SG   sing N N 108 
CYS   CB  HB2  sing N N 109 
CYS   CB  HB3  sing N N 110 
CYS   SG  HG   sing N N 111 
CYS   OXT HXT  sing N N 112 
EDO   C1  O1   sing N N 113 
EDO   C1  C2   sing N N 114 
EDO   C1  H11  sing N N 115 
EDO   C1  H12  sing N N 116 
EDO   O1  HO1  sing N N 117 
EDO   C2  O2   sing N N 118 
EDO   C2  H21  sing N N 119 
EDO   C2  H22  sing N N 120 
EDO   O2  HO2  sing N N 121 
EPE   N1  C2   sing N N 122 
EPE   N1  C6   sing N N 123 
EPE   N1  C9   sing N N 124 
EPE   C2  C3   sing N N 125 
EPE   C2  H21  sing N N 126 
EPE   C2  H22  sing N N 127 
EPE   C3  N4   sing N N 128 
EPE   C3  H31  sing N N 129 
EPE   C3  H32  sing N N 130 
EPE   N4  C5   sing N N 131 
EPE   N4  C7   sing N N 132 
EPE   C5  C6   sing N N 133 
EPE   C5  H51  sing N N 134 
EPE   C5  H52  sing N N 135 
EPE   C6  H61  sing N N 136 
EPE   C6  H62  sing N N 137 
EPE   C7  C8   sing N N 138 
EPE   C7  H71  sing N N 139 
EPE   C7  H72  sing N N 140 
EPE   C8  O8   sing N N 141 
EPE   C8  H81  sing N N 142 
EPE   C8  H82  sing N N 143 
EPE   O8  HO8  sing N N 144 
EPE   C9  C10  sing N N 145 
EPE   C9  H91  sing N N 146 
EPE   C9  H92  sing N N 147 
EPE   C10 S    sing N N 148 
EPE   C10 H101 sing N N 149 
EPE   C10 H102 sing N N 150 
EPE   S   O1S  doub N N 151 
EPE   S   O2S  doub N N 152 
EPE   S   O3S  sing N N 153 
EPE   O3S HOS3 sing N N 154 
GLN   N   CA   sing N N 155 
GLN   N   H    sing N N 156 
GLN   N   H2   sing N N 157 
GLN   CA  C    sing N N 158 
GLN   CA  CB   sing N N 159 
GLN   CA  HA   sing N N 160 
GLN   C   O    doub N N 161 
GLN   C   OXT  sing N N 162 
GLN   CB  CG   sing N N 163 
GLN   CB  HB2  sing N N 164 
GLN   CB  HB3  sing N N 165 
GLN   CG  CD   sing N N 166 
GLN   CG  HG2  sing N N 167 
GLN   CG  HG3  sing N N 168 
GLN   CD  OE1  doub N N 169 
GLN   CD  NE2  sing N N 170 
GLN   NE2 HE21 sing N N 171 
GLN   NE2 HE22 sing N N 172 
GLN   OXT HXT  sing N N 173 
GLU   N   CA   sing N N 174 
GLU   N   H    sing N N 175 
GLU   N   H2   sing N N 176 
GLU   CA  C    sing N N 177 
GLU   CA  CB   sing N N 178 
GLU   CA  HA   sing N N 179 
GLU   C   O    doub N N 180 
GLU   C   OXT  sing N N 181 
GLU   CB  CG   sing N N 182 
GLU   CB  HB2  sing N N 183 
GLU   CB  HB3  sing N N 184 
GLU   CG  CD   sing N N 185 
GLU   CG  HG2  sing N N 186 
GLU   CG  HG3  sing N N 187 
GLU   CD  OE1  doub N N 188 
GLU   CD  OE2  sing N N 189 
GLU   OE2 HE2  sing N N 190 
GLU   OXT HXT  sing N N 191 
GLY   N   CA   sing N N 192 
GLY   N   H    sing N N 193 
GLY   N   H2   sing N N 194 
GLY   CA  C    sing N N 195 
GLY   CA  HA2  sing N N 196 
GLY   CA  HA3  sing N N 197 
GLY   C   O    doub N N 198 
GLY   C   OXT  sing N N 199 
GLY   OXT HXT  sing N N 200 
HIS   N   CA   sing N N 201 
HIS   N   H    sing N N 202 
HIS   N   H2   sing N N 203 
HIS   CA  C    sing N N 204 
HIS   CA  CB   sing N N 205 
HIS   CA  HA   sing N N 206 
HIS   C   O    doub N N 207 
HIS   C   OXT  sing N N 208 
HIS   CB  CG   sing N N 209 
HIS   CB  HB2  sing N N 210 
HIS   CB  HB3  sing N N 211 
HIS   CG  ND1  sing Y N 212 
HIS   CG  CD2  doub Y N 213 
HIS   ND1 CE1  doub Y N 214 
HIS   ND1 HD1  sing N N 215 
HIS   CD2 NE2  sing Y N 216 
HIS   CD2 HD2  sing N N 217 
HIS   CE1 NE2  sing Y N 218 
HIS   CE1 HE1  sing N N 219 
HIS   NE2 HE2  sing N N 220 
HIS   OXT HXT  sing N N 221 
HOH   O   H1   sing N N 222 
HOH   O   H2   sing N N 223 
ILE   N   CA   sing N N 224 
ILE   N   H    sing N N 225 
ILE   N   H2   sing N N 226 
ILE   CA  C    sing N N 227 
ILE   CA  CB   sing N N 228 
ILE   CA  HA   sing N N 229 
ILE   C   O    doub N N 230 
ILE   C   OXT  sing N N 231 
ILE   CB  CG1  sing N N 232 
ILE   CB  CG2  sing N N 233 
ILE   CB  HB   sing N N 234 
ILE   CG1 CD1  sing N N 235 
ILE   CG1 HG12 sing N N 236 
ILE   CG1 HG13 sing N N 237 
ILE   CG2 HG21 sing N N 238 
ILE   CG2 HG22 sing N N 239 
ILE   CG2 HG23 sing N N 240 
ILE   CD1 HD11 sing N N 241 
ILE   CD1 HD12 sing N N 242 
ILE   CD1 HD13 sing N N 243 
ILE   OXT HXT  sing N N 244 
LEU   N   CA   sing N N 245 
LEU   N   H    sing N N 246 
LEU   N   H2   sing N N 247 
LEU   CA  C    sing N N 248 
LEU   CA  CB   sing N N 249 
LEU   CA  HA   sing N N 250 
LEU   C   O    doub N N 251 
LEU   C   OXT  sing N N 252 
LEU   CB  CG   sing N N 253 
LEU   CB  HB2  sing N N 254 
LEU   CB  HB3  sing N N 255 
LEU   CG  CD1  sing N N 256 
LEU   CG  CD2  sing N N 257 
LEU   CG  HG   sing N N 258 
LEU   CD1 HD11 sing N N 259 
LEU   CD1 HD12 sing N N 260 
LEU   CD1 HD13 sing N N 261 
LEU   CD2 HD21 sing N N 262 
LEU   CD2 HD22 sing N N 263 
LEU   CD2 HD23 sing N N 264 
LEU   OXT HXT  sing N N 265 
LYS   N   CA   sing N N 266 
LYS   N   H    sing N N 267 
LYS   N   H2   sing N N 268 
LYS   CA  C    sing N N 269 
LYS   CA  CB   sing N N 270 
LYS   CA  HA   sing N N 271 
LYS   C   O    doub N N 272 
LYS   C   OXT  sing N N 273 
LYS   CB  CG   sing N N 274 
LYS   CB  HB2  sing N N 275 
LYS   CB  HB3  sing N N 276 
LYS   CG  CD   sing N N 277 
LYS   CG  HG2  sing N N 278 
LYS   CG  HG3  sing N N 279 
LYS   CD  CE   sing N N 280 
LYS   CD  HD2  sing N N 281 
LYS   CD  HD3  sing N N 282 
LYS   CE  NZ   sing N N 283 
LYS   CE  HE2  sing N N 284 
LYS   CE  HE3  sing N N 285 
LYS   NZ  HZ1  sing N N 286 
LYS   NZ  HZ2  sing N N 287 
LYS   NZ  HZ3  sing N N 288 
LYS   OXT HXT  sing N N 289 
MET   N   CA   sing N N 290 
MET   N   H    sing N N 291 
MET   N   H2   sing N N 292 
MET   CA  C    sing N N 293 
MET   CA  CB   sing N N 294 
MET   CA  HA   sing N N 295 
MET   C   O    doub N N 296 
MET   C   OXT  sing N N 297 
MET   CB  CG   sing N N 298 
MET   CB  HB2  sing N N 299 
MET   CB  HB3  sing N N 300 
MET   CG  SD   sing N N 301 
MET   CG  HG2  sing N N 302 
MET   CG  HG3  sing N N 303 
MET   SD  CE   sing N N 304 
MET   CE  HE1  sing N N 305 
MET   CE  HE2  sing N N 306 
MET   CE  HE3  sing N N 307 
MET   OXT HXT  sing N N 308 
PHE   N   CA   sing N N 309 
PHE   N   H    sing N N 310 
PHE   N   H2   sing N N 311 
PHE   CA  C    sing N N 312 
PHE   CA  CB   sing N N 313 
PHE   CA  HA   sing N N 314 
PHE   C   O    doub N N 315 
PHE   C   OXT  sing N N 316 
PHE   CB  CG   sing N N 317 
PHE   CB  HB2  sing N N 318 
PHE   CB  HB3  sing N N 319 
PHE   CG  CD1  doub Y N 320 
PHE   CG  CD2  sing Y N 321 
PHE   CD1 CE1  sing Y N 322 
PHE   CD1 HD1  sing N N 323 
PHE   CD2 CE2  doub Y N 324 
PHE   CD2 HD2  sing N N 325 
PHE   CE1 CZ   doub Y N 326 
PHE   CE1 HE1  sing N N 327 
PHE   CE2 CZ   sing Y N 328 
PHE   CE2 HE2  sing N N 329 
PHE   CZ  HZ   sing N N 330 
PHE   OXT HXT  sing N N 331 
PRO   N   CA   sing N N 332 
PRO   N   CD   sing N N 333 
PRO   N   H    sing N N 334 
PRO   CA  C    sing N N 335 
PRO   CA  CB   sing N N 336 
PRO   CA  HA   sing N N 337 
PRO   C   O    doub N N 338 
PRO   C   OXT  sing N N 339 
PRO   CB  CG   sing N N 340 
PRO   CB  HB2  sing N N 341 
PRO   CB  HB3  sing N N 342 
PRO   CG  CD   sing N N 343 
PRO   CG  HG2  sing N N 344 
PRO   CG  HG3  sing N N 345 
PRO   CD  HD2  sing N N 346 
PRO   CD  HD3  sing N N 347 
PRO   OXT HXT  sing N N 348 
SER   N   CA   sing N N 349 
SER   N   H    sing N N 350 
SER   N   H2   sing N N 351 
SER   CA  C    sing N N 352 
SER   CA  CB   sing N N 353 
SER   CA  HA   sing N N 354 
SER   C   O    doub N N 355 
SER   C   OXT  sing N N 356 
SER   CB  OG   sing N N 357 
SER   CB  HB2  sing N N 358 
SER   CB  HB3  sing N N 359 
SER   OG  HG   sing N N 360 
SER   OXT HXT  sing N N 361 
SO4   S   O1   doub N N 362 
SO4   S   O2   doub N N 363 
SO4   S   O3   sing N N 364 
SO4   S   O4   sing N N 365 
THR   N   CA   sing N N 366 
THR   N   H    sing N N 367 
THR   N   H2   sing N N 368 
THR   CA  C    sing N N 369 
THR   CA  CB   sing N N 370 
THR   CA  HA   sing N N 371 
THR   C   O    doub N N 372 
THR   C   OXT  sing N N 373 
THR   CB  OG1  sing N N 374 
THR   CB  CG2  sing N N 375 
THR   CB  HB   sing N N 376 
THR   OG1 HG1  sing N N 377 
THR   CG2 HG21 sing N N 378 
THR   CG2 HG22 sing N N 379 
THR   CG2 HG23 sing N N 380 
THR   OXT HXT  sing N N 381 
TRP   N   CA   sing N N 382 
TRP   N   H    sing N N 383 
TRP   N   H2   sing N N 384 
TRP   CA  C    sing N N 385 
TRP   CA  CB   sing N N 386 
TRP   CA  HA   sing N N 387 
TRP   C   O    doub N N 388 
TRP   C   OXT  sing N N 389 
TRP   CB  CG   sing N N 390 
TRP   CB  HB2  sing N N 391 
TRP   CB  HB3  sing N N 392 
TRP   CG  CD1  doub Y N 393 
TRP   CG  CD2  sing Y N 394 
TRP   CD1 NE1  sing Y N 395 
TRP   CD1 HD1  sing N N 396 
TRP   CD2 CE2  doub Y N 397 
TRP   CD2 CE3  sing Y N 398 
TRP   NE1 CE2  sing Y N 399 
TRP   NE1 HE1  sing N N 400 
TRP   CE2 CZ2  sing Y N 401 
TRP   CE3 CZ3  doub Y N 402 
TRP   CE3 HE3  sing N N 403 
TRP   CZ2 CH2  doub Y N 404 
TRP   CZ2 HZ2  sing N N 405 
TRP   CZ3 CH2  sing Y N 406 
TRP   CZ3 HZ3  sing N N 407 
TRP   CH2 HH2  sing N N 408 
TRP   OXT HXT  sing N N 409 
TYR   N   CA   sing N N 410 
TYR   N   H    sing N N 411 
TYR   N   H2   sing N N 412 
TYR   CA  C    sing N N 413 
TYR   CA  CB   sing N N 414 
TYR   CA  HA   sing N N 415 
TYR   C   O    doub N N 416 
TYR   C   OXT  sing N N 417 
TYR   CB  CG   sing N N 418 
TYR   CB  HB2  sing N N 419 
TYR   CB  HB3  sing N N 420 
TYR   CG  CD1  doub Y N 421 
TYR   CG  CD2  sing Y N 422 
TYR   CD1 CE1  sing Y N 423 
TYR   CD1 HD1  sing N N 424 
TYR   CD2 CE2  doub Y N 425 
TYR   CD2 HD2  sing N N 426 
TYR   CE1 CZ   doub Y N 427 
TYR   CE1 HE1  sing N N 428 
TYR   CE2 CZ   sing Y N 429 
TYR   CE2 HE2  sing N N 430 
TYR   CZ  OH   sing N N 431 
TYR   OH  HH   sing N N 432 
TYR   OXT HXT  sing N N 433 
VAL   N   CA   sing N N 434 
VAL   N   H    sing N N 435 
VAL   N   H2   sing N N 436 
VAL   CA  C    sing N N 437 
VAL   CA  CB   sing N N 438 
VAL   CA  HA   sing N N 439 
VAL   C   O    doub N N 440 
VAL   C   OXT  sing N N 441 
VAL   CB  CG1  sing N N 442 
VAL   CB  CG2  sing N N 443 
VAL   CB  HB   sing N N 444 
VAL   CG1 HG11 sing N N 445 
VAL   CG1 HG12 sing N N 446 
VAL   CG1 HG13 sing N N 447 
VAL   CG2 HG21 sing N N 448 
VAL   CG2 HG22 sing N N 449 
VAL   CG2 HG23 sing N N 450 
VAL   OXT HXT  sing N N 451 
# 
_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                    7HN2 
_atom_sites.fract_transf_matrix[1][1]   0.010469 
_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]   0.010469 
_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]   0.021859 
_atom_sites.fract_transf_vector[1]      0.000000 
_atom_sites.fract_transf_vector[2]      0.000000 
_atom_sites.fract_transf_vector[3]      0.000000 
# 
loop_
_atom_type.symbol 
C 
N 
O 
S 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N   . HIS   A 1 2   ? -13.122 -13.050 -9.846  1.00 66.40 ? 8   HIS   B N   1 
ATOM   2    C CA  . HIS   A 1 2   ? -12.743 -13.584 -11.199 1.00 61.38 ? 8   HIS   B CA  1 
ATOM   3    C C   . HIS   A 1 2   ? -11.693 -12.670 -11.846 1.00 59.63 ? 8   HIS   B C   1 
ATOM   4    O O   . HIS   A 1 2   ? -11.688 -11.446 -11.549 1.00 65.01 ? 8   HIS   B O   1 
ATOM   5    C CB  . HIS   A 1 2   ? -13.989 -13.765 -12.092 1.00 54.08 ? 8   HIS   B CB  1 
ATOM   6    C CG  . HIS   A 1 2   ? -14.545 -12.504 -12.679 1.00 48.79 ? 8   HIS   B CG  1 
ATOM   7    N ND1 . HIS   A 1 2   ? -14.034 -11.941 -13.840 1.00 49.65 ? 8   HIS   B ND1 1 
ATOM   8    C CD2 . HIS   A 1 2   ? -15.585 -11.719 -12.311 1.00 44.14 ? 8   HIS   B CD2 1 
ATOM   9    C CE1 . HIS   A 1 2   ? -14.709 -10.844 -14.133 1.00 48.02 ? 8   HIS   B CE1 1 
ATOM   10   N NE2 . HIS   A 1 2   ? -15.668 -10.679 -13.213 1.00 41.04 ? 8   HIS   B NE2 1 
ATOM   11   N N   . HIS   A 1 3   ? -10.872 -13.244 -12.728 1.00 55.63 ? 9   HIS   B N   1 
ATOM   12   C CA  . HIS   A 1 3   ? -9.782  -12.557 -13.475 1.00 56.49 ? 9   HIS   B CA  1 
ATOM   13   C C   . HIS   A 1 3   ? -10.018 -12.692 -14.991 1.00 47.78 ? 9   HIS   B C   1 
ATOM   14   O O   . HIS   A 1 3   ? -9.027  -12.881 -15.729 1.00 48.08 ? 9   HIS   B O   1 
ATOM   15   C CB  . HIS   A 1 3   ? -8.423  -13.083 -12.962 1.00 65.26 ? 9   HIS   B CB  1 
ATOM   16   C CG  . HIS   A 1 3   ? -8.201  -12.816 -11.502 1.00 75.31 ? 9   HIS   B CG  1 
ATOM   17   N ND1 . HIS   A 1 3   ? -8.092  -11.528 -10.984 1.00 77.20 ? 9   HIS   B ND1 1 
ATOM   18   C CD2 . HIS   A 1 3   ? -8.084  -13.650 -10.443 1.00 80.10 ? 9   HIS   B CD2 1 
ATOM   19   C CE1 . HIS   A 1 3   ? -7.914  -11.588 -9.679  1.00 77.89 ? 9   HIS   B CE1 1 
ATOM   20   N NE2 . HIS   A 1 3   ? -7.902  -12.879 -9.322  1.00 79.35 ? 9   HIS   B NE2 1 
ATOM   21   N N   . HIS   A 1 4   ? -11.282 -12.552 -15.443 1.00 38.41 ? 10  HIS   B N   1 
ATOM   22   C CA  . HIS   A 1 4   ? -11.735 -12.735 -16.857 1.00 31.32 ? 10  HIS   B CA  1 
ATOM   23   C C   . HIS   A 1 4   ? -11.729 -11.394 -17.604 1.00 31.51 ? 10  HIS   B C   1 
ATOM   24   O O   . HIS   A 1 4   ? -11.847 -11.392 -18.842 1.00 27.64 ? 10  HIS   B O   1 
ATOM   25   C CB  . HIS   A 1 4   ? -13.148 -13.346 -16.912 1.00 29.85 ? 10  HIS   B CB  1 
ATOM   26   C CG  . HIS   A 1 4   ? -13.260 -14.711 -16.327 1.00 29.32 ? 10  HIS   B CG  1 
ATOM   27   N ND1 . HIS   A 1 4   ? -12.343 -15.730 -16.604 1.00 28.42 ? 10  HIS   B ND1 1 
ATOM   28   C CD2 . HIS   A 1 4   ? -14.182 -15.249 -15.501 1.00 28.58 ? 10  HIS   B CD2 1 
ATOM   29   C CE1 . HIS   A 1 4   ? -12.704 -16.827 -15.963 1.00 34.52 ? 10  HIS   B CE1 1 
ATOM   30   N NE2 . HIS   A 1 4   ? -13.831 -16.558 -15.292 1.00 33.09 ? 10  HIS   B NE2 1 
ATOM   31   N N   . HIS   A 1 5   ? -11.548 -10.283 -16.887 1.00 32.38 ? 11  HIS   B N   1 
ATOM   32   C CA  . HIS   A 1 5   ? -11.643 -8.894  -17.418 1.00 34.18 ? 11  HIS   B CA  1 
ATOM   33   C C   . HIS   A 1 5   ? -10.750 -8.680  -18.648 1.00 31.99 ? 11  HIS   B C   1 
ATOM   34   O O   . HIS   A 1 5   ? -11.202 -7.962  -19.559 1.00 32.50 ? 11  HIS   B O   1 
ATOM   35   C CB  . HIS   A 1 5   ? -11.324 -7.848  -16.329 1.00 43.17 ? 11  HIS   B CB  1 
ATOM   36   C CG  . HIS   A 1 5   ? -12.139 -7.987  -15.084 1.00 53.92 ? 11  HIS   B CG  1 
ATOM   37   N ND1 . HIS   A 1 5   ? -11.671 -8.670  -13.957 1.00 65.75 ? 11  HIS   B ND1 1 
ATOM   38   C CD2 . HIS   A 1 5   ? -13.379 -7.541  -14.771 1.00 57.83 ? 11  HIS   B CD2 1 
ATOM   39   C CE1 . HIS   A 1 5   ? -12.593 -8.636  -13.008 1.00 64.90 ? 11  HIS   B CE1 1 
ATOM   40   N NE2 . HIS   A 1 5   ? -13.655 -7.952  -13.486 1.00 62.40 ? 11  HIS   B NE2 1 
ATOM   41   N N   . HIS   A 1 6   ? -9.557  -9.297  -18.711 1.00 31.39 ? 12  HIS   B N   1 
ATOM   42   C CA  . HIS   A 1 6   ? -8.580  -9.133  -19.823 1.00 31.28 ? 12  HIS   B CA  1 
ATOM   43   C C   . HIS   A 1 6   ? -9.062  -9.771  -21.132 1.00 29.32 ? 12  HIS   B C   1 
ATOM   44   O O   . HIS   A 1 6   ? -8.415  -9.522  -22.152 1.00 31.58 ? 12  HIS   B O   1 
ATOM   45   C CB  . HIS   A 1 6   ? -7.195  -9.678  -19.439 1.00 37.61 ? 12  HIS   B CB  1 
ATOM   46   C CG  . HIS   A 1 6   ? -7.149  -11.134 -19.124 1.00 37.65 ? 12  HIS   B CG  1 
ATOM   47   N ND1 . HIS   A 1 6   ? -6.572  -12.062 -19.986 1.00 46.72 ? 12  HIS   B ND1 1 
ATOM   48   C CD2 . HIS   A 1 6   ? -7.547  -11.825 -18.032 1.00 41.56 ? 12  HIS   B CD2 1 
ATOM   49   C CE1 . HIS   A 1 6   ? -6.642  -13.266 -19.446 1.00 39.78 ? 12  HIS   B CE1 1 
ATOM   50   N NE2 . HIS   A 1 6   ? -7.240  -13.152 -18.250 1.00 47.95 ? 12  HIS   B NE2 1 
ATOM   51   N N   . HIS   A 1 7   ? -10.116 -10.604 -21.129 1.00 23.90 ? 13  HIS   B N   1 
ATOM   52   C CA  . HIS   A 1 7   ? -10.768 -11.134 -22.362 1.00 20.86 ? 13  HIS   B CA  1 
ATOM   53   C C   . HIS   A 1 7   ? -11.882 -10.202 -22.821 1.00 18.77 ? 13  HIS   B C   1 
ATOM   54   O O   . HIS   A 1 7   ? -12.713 -10.662 -23.612 1.00 16.74 ? 13  HIS   B O   1 
ATOM   55   C CB  . HIS   A 1 7   ? -11.314 -12.536 -22.139 1.00 20.09 ? 13  HIS   B CB  1 
ATOM   56   C CG  . HIS   A 1 7   ? -10.259 -13.509 -21.710 1.00 20.88 ? 13  HIS   B CG  1 
ATOM   57   N ND1 . HIS   A 1 7   ? -9.210  -13.834 -22.559 1.00 21.92 ? 13  HIS   B ND1 1 
ATOM   58   C CD2 . HIS   A 1 7   ? -10.108 -14.224 -20.574 1.00 22.19 ? 13  HIS   B CD2 1 
ATOM   59   C CE1 . HIS   A 1 7   ? -8.422  -14.686 -21.930 1.00 21.46 ? 13  HIS   B CE1 1 
ATOM   60   N NE2 . HIS   A 1 7   ? -8.931  -14.949 -20.718 1.00 23.81 ? 13  HIS   B NE2 1 
ATOM   61   N N   . MET   A 1 8   ? -11.944 -8.986  -22.289 1.00 18.92 ? 14  MET   B N   1 
ATOM   62   C CA  . MET   A 1 8   ? -12.983 -7.990  -22.645 1.00 20.48 ? 14  MET   B CA  1 
ATOM   63   C C   . MET   A 1 8   ? -13.074 -7.839  -24.166 1.00 19.90 ? 14  MET   B C   1 
ATOM   64   O O   . MET   A 1 8   ? -12.033 -7.719  -24.891 1.00 23.36 ? 14  MET   B O   1 
ATOM   65   C CB  . MET   A 1 8   ? -12.671 -6.636  -22.012 1.00 25.55 ? 14  MET   B CB  1 
ATOM   66   C CG  . MET   A 1 8   ? -13.691 -5.540  -22.311 1.00 31.95 ? 14  MET   B CG  1 
ATOM   67   S SD  . MET   A 1 8   ? -15.294 -5.735  -21.439 1.00 42.73 ? 14  MET   B SD  1 
ATOM   68   C CE  . MET   A 1 8   ? -14.841 -5.160  -19.808 1.00 32.89 ? 14  MET   B CE  1 
ATOM   69   N N   . VAL   A 1 9   ? -14.293 -7.821  -24.679 1.00 17.08 ? 15  VAL   B N   1 
ATOM   70   C CA  . VAL   A 1 9   ? -14.607 -7.600  -26.116 1.00 18.17 ? 15  VAL   B CA  1 
ATOM   71   C C   . VAL   A 1 9   ? -15.582 -6.406  -26.201 1.00 19.28 ? 15  VAL   B C   1 
ATOM   72   O O   . VAL   A 1 9   ? -16.453 -6.249  -25.311 1.00 18.90 ? 15  VAL   B O   1 
ATOM   73   C CB  . VAL   A 1 9   ? -15.131 -8.854  -26.848 1.00 19.81 ? 15  VAL   B CB  1 
ATOM   74   C CG1 . VAL   A 1 9   ? -14.045 -9.915  -26.938 1.00 22.12 ? 15  VAL   B CG1 1 
ATOM   75   C CG2 . VAL   A 1 9   ? -16.349 -9.462  -26.191 1.00 20.96 ? 15  VAL   B CG2 1 
ATOM   76   N N   . HIS   A 1 10  ? -15.499 -5.633  -27.281 1.00 18.98 ? 16  HIS   B N   1 
ATOM   77   C CA  . HIS   A 1 10  ? -16.390 -4.480  -27.519 1.00 18.07 ? 16  HIS   B CA  1 
ATOM   78   C C   . HIS   A 1 10  ? -17.607 -4.985  -28.288 1.00 18.57 ? 16  HIS   B C   1 
ATOM   79   O O   . HIS   A 1 10  ? -17.499 -5.366  -29.459 1.00 22.28 ? 16  HIS   B O   1 
ATOM   80   C CB  . HIS   A 1 10  ? -15.644 -3.395  -28.301 1.00 19.36 ? 16  HIS   B CB  1 
ATOM   81   C CG  . HIS   A 1 10  ? -16.412 -2.125  -28.496 1.00 24.49 ? 16  HIS   B CG  1 
ATOM   82   N ND1 . HIS   A 1 10  ? -16.526 -1.170  -27.517 1.00 28.38 ? 16  HIS   B ND1 1 
ATOM   83   C CD2 . HIS   A 1 10  ? -17.122 -1.676  -29.558 1.00 28.29 ? 16  HIS   B CD2 1 
ATOM   84   C CE1 . HIS   A 1 10  ? -17.251 -0.155  -27.969 1.00 26.23 ? 16  HIS   B CE1 1 
ATOM   85   N NE2 . HIS   A 1 10  ? -17.641 -0.450  -29.230 1.00 31.39 ? 16  HIS   B NE2 1 
ATOM   86   N N   . ILE   A 1 11  ? -18.731 -5.102  -27.598 1.00 15.09 ? 17  ILE   B N   1 
ATOM   87   C CA  . ILE   A 1 11  ? -19.978 -5.593  -28.209 1.00 15.45 ? 17  ILE   B CA  1 
ATOM   88   C C   . ILE   A 1 11  ? -20.808 -4.406  -28.736 1.00 15.40 ? 17  ILE   B C   1 
ATOM   89   O O   . ILE   A 1 11  ? -20.840 -3.389  -28.082 1.00 15.62 ? 17  ILE   B O   1 
ATOM   90   C CB  . ILE   A 1 11  ? -20.782 -6.416  -27.185 1.00 14.70 ? 17  ILE   B CB  1 
ATOM   91   C CG1 . ILE   A 1 11  ? -19.969 -7.622  -26.680 1.00 16.12 ? 17  ILE   B CG1 1 
ATOM   92   C CG2 . ILE   A 1 11  ? -22.122 -6.828  -27.788 1.00 14.20 ? 17  ILE   B CG2 1 
ATOM   93   C CD1 . ILE   A 1 11  ? -19.444 -8.542  -27.790 1.00 15.82 ? 17  ILE   B CD1 1 
ATOM   94   N N   . THR   A 1 12  ? -21.375 -4.579  -29.919 1.00 14.29 ? 18  THR   B N   1 
ATOM   95   C CA  . THR   A 1 12  ? -22.359 -3.593  -30.449 1.00 15.30 ? 18  THR   B CA  1 
ATOM   96   C C   . THR   A 1 12  ? -23.618 -4.356  -30.819 1.00 15.65 ? 18  THR   B C   1 
ATOM   97   O O   . THR   A 1 12  ? -23.586 -5.588  -31.105 1.00 16.68 ? 18  THR   B O   1 
ATOM   98   C CB  . THR   A 1 12  ? -21.778 -2.814  -31.624 1.00 17.88 ? 18  THR   B CB  1 
ATOM   99   O OG1 . THR   A 1 12  ? -21.446 -3.721  -32.652 1.00 19.77 ? 18  THR   B OG1 1 
ATOM   100  C CG2 . THR   A 1 12  ? -20.604 -1.936  -31.231 1.00 20.49 ? 18  THR   B CG2 1 
ATOM   101  N N   . LEU   A 1 13  ? -24.753 -3.647  -30.770 1.00 13.92 ? 19  LEU   B N   1 
ATOM   102  C CA  . LEU   A 1 13  ? -26.044 -4.302  -31.092 1.00 14.18 ? 19  LEU   B CA  1 
ATOM   103  C C   . LEU   A 1 13  ? -26.325 -4.283  -32.598 1.00 14.43 ? 19  LEU   B C   1 
ATOM   104  O O   . LEU   A 1 13  ? -26.012 -3.261  -33.276 1.00 15.76 ? 19  LEU   B O   1 
ATOM   105  C CB  . LEU   A 1 13  ? -27.128 -3.567  -30.323 1.00 14.36 ? 19  LEU   B CB  1 
ATOM   106  C CG  . LEU   A 1 13  ? -26.928 -3.616  -28.814 1.00 14.64 ? 19  LEU   B CG  1 
ATOM   107  C CD1 . LEU   A 1 13  ? -27.902 -2.709  -28.080 1.00 16.52 ? 19  LEU   B CD1 1 
ATOM   108  C CD2 . LEU   A 1 13  ? -27.032 -5.043  -28.299 1.00 15.90 ? 19  LEU   B CD2 1 
ATOM   109  N N   . ASP   A 1 14  ? -26.931 -5.321  -33.096 1.00 13.08 ? 20  ASP   B N   1 
ATOM   110  C CA  . ASP   A 1 14  ? -27.299 -5.508  -34.525 1.00 13.54 ? 20  ASP   B CA  1 
ATOM   111  C C   . ASP   A 1 14  ? -28.797 -5.117  -34.696 1.00 14.48 ? 20  ASP   B C   1 
ATOM   112  O O   . ASP   A 1 14  ? -29.685 -5.907  -34.410 1.00 13.44 ? 20  ASP   B O   1 
ATOM   113  C CB  . ASP   A 1 14  ? -27.032 -6.935  -35.000 1.00 13.84 ? 20  ASP   B CB  1 
ATOM   114  C CG  . ASP   A 1 14  ? -27.308 -7.199  -36.469 1.00 19.04 ? 20  ASP   B CG  1 
ATOM   115  O OD1 . ASP   A 1 14  ? -27.957 -6.307  -37.100 1.00 18.46 ? 20  ASP   B OD1 1 
ATOM   116  O OD2 . ASP   A 1 14  ? -27.013 -8.321  -36.972 1.00 19.54 ? 20  ASP   B OD2 1 
ATOM   117  N N   A ARG   A 1 15  ? -29.009 -3.886  -35.183 0.25 15.14 ? 21  ARG   B N   1 
ATOM   118  N N   B ARG   A 1 15  ? -29.029 -3.893  -35.182 0.25 15.96 ? 21  ARG   B N   1 
ATOM   119  C CA  A ARG   A 1 15  ? -30.337 -3.270  -35.477 0.25 16.17 ? 21  ARG   B CA  1 
ATOM   120  C CA  B ARG   A 1 15  ? -30.387 -3.316  -35.394 0.25 17.44 ? 21  ARG   B CA  1 
ATOM   121  C C   A ARG   A 1 15  ? -31.240 -4.223  -36.259 0.25 15.51 ? 21  ARG   B C   1 
ATOM   122  C C   B ARG   A 1 15  ? -31.258 -4.230  -36.260 0.25 16.31 ? 21  ARG   B C   1 
ATOM   123  O O   A ARG   A 1 15  ? -32.467 -4.230  -36.010 0.25 15.13 ? 21  ARG   B O   1 
ATOM   124  O O   B ARG   A 1 15  ? -32.491 -4.234  -36.056 0.25 15.75 ? 21  ARG   B O   1 
ATOM   125  C CB  A ARG   A 1 15  ? -30.163 -2.005  -36.330 0.25 17.40 ? 21  ARG   B CB  1 
ATOM   126  C CB  B ARG   A 1 15  ? -30.291 -1.943  -36.073 0.25 20.21 ? 21  ARG   B CB  1 
ATOM   127  C CG  A ARG   A 1 15  ? -29.305 -0.935  -35.677 0.25 19.25 ? 21  ARG   B CG  1 
ATOM   128  C CG  B ARG   A 1 15  ? -29.976 -0.803  -35.121 0.25 23.27 ? 21  ARG   B CG  1 
ATOM   129  C CD  A ARG   A 1 15  ? -29.239 0.340   -36.505 0.25 19.78 ? 21  ARG   B CD  1 
ATOM   130  C CD  B ARG   A 1 15  ? -28.539 -0.320  -35.237 0.25 26.46 ? 21  ARG   B CD  1 
ATOM   131  N NE  A ARG   A 1 15  ? -28.728 1.407   -35.670 0.25 20.57 ? 21  ARG   B NE  1 
ATOM   132  N NE  B ARG   A 1 15  ? -28.290 0.679   -36.280 0.25 29.05 ? 21  ARG   B NE  1 
ATOM   133  C CZ  A ARG   A 1 15  ? -29.445 1.999   -34.742 0.25 20.14 ? 21  ARG   B CZ  1 
ATOM   134  C CZ  B ARG   A 1 15  ? -27.825 0.421   -37.503 0.25 31.93 ? 21  ARG   B CZ  1 
ATOM   135  N NH1 A ARG   A 1 15  ? -30.705 1.648   -34.588 0.25 21.86 ? 21  ARG   B NH1 1 
ATOM   136  N NH1 B ARG   A 1 15  ? -27.569 -0.817  -37.886 0.25 34.02 ? 21  ARG   B NH1 1 
ATOM   137  N NH2 A ARG   A 1 15  ? -28.913 2.943   -33.993 0.25 21.23 ? 21  ARG   B NH2 1 
ATOM   138  N NH2 B ARG   A 1 15  ? -27.628 1.410   -38.353 0.25 33.25 ? 21  ARG   B NH2 1 
ATOM   139  N N   . ASN   A 1 16  ? -30.673 -4.965  -37.214 1.00 15.63 ? 22  ASN   B N   1 
ATOM   140  C CA  . ASN   A 1 16  ? -31.466 -5.809  -38.126 1.00 16.89 ? 22  ASN   B CA  1 
ATOM   141  C C   . ASN   A 1 16  ? -32.140 -6.971  -37.419 1.00 14.64 ? 22  ASN   B C   1 
ATOM   142  O O   . ASN   A 1 16  ? -33.151 -7.476  -37.889 1.00 14.70 ? 22  ASN   B O   1 
ATOM   143  C CB  . ASN   A 1 16  ? -30.608 -6.257  -39.309 1.00 20.10 ? 22  ASN   B CB  1 
ATOM   144  C CG  . ASN   A 1 16  ? -30.399 -5.111  -40.275 1.00 26.80 ? 22  ASN   B CG  1 
ATOM   145  O OD1 . ASN   A 1 16  ? -31.214 -4.183  -40.346 1.00 33.81 ? 22  ASN   B OD1 1 
ATOM   146  N ND2 . ASN   A 1 16  ? -29.281 -5.140  -40.973 1.00 38.08 ? 22  ASN   B ND2 1 
ATOM   147  N N   . THR   A 1 17  ? -31.613 -7.360  -36.234 1.00 12.56 ? 23  THR   B N   1 
ATOM   148  C CA  . THR   A 1 17  ? -32.153 -8.475  -35.445 1.00 11.99 ? 23  THR   B CA  1 
ATOM   149  C C   . THR   A 1 17  ? -33.191 -8.001  -34.434 1.00 11.37 ? 23  THR   B C   1 
ATOM   150  O O   . THR   A 1 17  ? -33.868 -8.844  -33.841 1.00 11.67 ? 23  THR   B O   1 
ATOM   151  C CB  . THR   A 1 17  ? -31.058 -9.257  -34.698 1.00 12.38 ? 23  THR   B CB  1 
ATOM   152  O OG1 . THR   A 1 17  ? -30.492 -8.443  -33.664 1.00 12.92 ? 23  THR   B OG1 1 
ATOM   153  C CG2 . THR   A 1 17  ? -30.028 -9.819  -35.680 1.00 13.60 ? 23  THR   B CG2 1 
ATOM   154  N N   . ALA   A 1 18  ? -33.265 -6.708  -34.221 1.00 11.55 ? 24  ALA   B N   1 
ATOM   155  C CA  . ALA   A 1 18  ? -34.085 -6.163  -33.106 1.00 11.76 ? 24  ALA   B CA  1 
ATOM   156  C C   . ALA   A 1 18  ? -35.568 -6.363  -33.375 1.00 12.25 ? 24  ALA   B C   1 
ATOM   157  O O   . ALA   A 1 18  ? -36.063 -6.052  -34.492 1.00 12.95 ? 24  ALA   B O   1 
ATOM   158  C CB  . ALA   A 1 18  ? -33.788 -4.710  -32.916 1.00 11.83 ? 24  ALA   B CB  1 
ATOM   159  N N   . ASN   A 1 19  ? -36.330 -6.659  -32.364 1.00 11.57 ? 25  ASN   B N   1 
ATOM   160  C CA  . ASN   A 1 19  ? -37.790 -6.472  -32.407 1.00 10.98 ? 25  ASN   B CA  1 
ATOM   161  C C   . ASN   A 1 19  ? -38.072 -5.030  -32.835 1.00 10.68 ? 25  ASN   B C   1 
ATOM   162  O O   . ASN   A 1 19  ? -37.364 -4.085  -32.475 1.00 10.77 ? 25  ASN   B O   1 
ATOM   163  C CB  . ASN   A 1 19  ? -38.330 -6.805  -31.024 1.00 12.08 ? 25  ASN   B CB  1 
ATOM   164  C CG  . ASN   A 1 19  ? -39.798 -6.544  -30.919 1.00 13.33 ? 25  ASN   B CG  1 
ATOM   165  O OD1 . ASN   A 1 19  ? -40.234 -5.436  -30.638 1.00 13.80 ? 25  ASN   B OD1 1 
ATOM   166  N ND2 . ASN   A 1 19  ? -40.552 -7.544  -31.244 1.00 17.29 ? 25  ASN   B ND2 1 
ATOM   167  N N   . SER   A 1 20  ? -39.147 -4.882  -33.596 1.00 10.68 ? 26  SER   B N   1 
ATOM   168  C CA  . SER   A 1 20  ? -39.515 -3.608  -34.236 1.00 11.43 ? 26  SER   B CA  1 
ATOM   169  C C   . SER   A 1 20  ? -39.921 -2.529  -33.237 1.00 11.46 ? 26  SER   B C   1 
ATOM   170  O O   . SER   A 1 20  ? -40.023 -1.367  -33.686 1.00 12.55 ? 26  SER   B O   1 
ATOM   171  C CB  . SER   A 1 20  ? -40.626 -3.824  -35.241 1.00 12.53 ? 26  SER   B CB  1 
ATOM   172  O OG  . SER   A 1 20  ? -41.760 -4.294  -34.561 1.00 15.16 ? 26  SER   B OG  1 
ATOM   173  N N   . TRP   A 1 21  ? -40.094 -2.798  -31.952 1.00 10.25 ? 27  TRP   B N   1 
ATOM   174  C CA  . TRP   A 1 21  ? -40.403 -1.774  -30.938 1.00 11.10 ? 27  TRP   B CA  1 
ATOM   175  C C   . TRP   A 1 21  ? -39.156 -1.272  -30.224 1.00 11.31 ? 27  TRP   B C   1 
ATOM   176  O O   . TRP   A 1 21  ? -39.266 -0.364  -29.405 1.00 12.15 ? 27  TRP   B O   1 
ATOM   177  C CB  . TRP   A 1 21  ? -41.408 -2.308  -29.945 1.00 11.43 ? 27  TRP   B CB  1 
ATOM   178  C CG  . TRP   A 1 21  ? -42.806 -2.418  -30.489 1.00 12.15 ? 27  TRP   B CG  1 
ATOM   179  C CD1 . TRP   A 1 21  ? -43.200 -2.959  -31.679 1.00 12.23 ? 27  TRP   B CD1 1 
ATOM   180  C CD2 . TRP   A 1 21  ? -43.990 -1.981  -29.832 1.00 14.54 ? 27  TRP   B CD2 1 
ATOM   181  N NE1 . TRP   A 1 21  ? -44.577 -2.851  -31.812 1.00 14.80 ? 27  TRP   B NE1 1 
ATOM   182  C CE2 . TRP   A 1 21  ? -45.072 -2.323  -30.669 1.00 13.84 ? 27  TRP   B CE2 1 
ATOM   183  C CE3 . TRP   A 1 21  ? -44.231 -1.367  -28.599 1.00 16.84 ? 27  TRP   B CE3 1 
ATOM   184  C CZ2 . TRP   A 1 21  ? -46.395 -2.001  -30.298 1.00 17.00 ? 27  TRP   B CZ2 1 
ATOM   185  C CZ3 . TRP   A 1 21  ? -45.536 -1.083  -28.228 1.00 19.67 ? 27  TRP   B CZ3 1 
ATOM   186  C CH2 . TRP   A 1 21  ? -46.591 -1.437  -29.058 1.00 20.23 ? 27  TRP   B CH2 1 
ATOM   187  N N   . LEU   A 1 22  ? -37.982 -1.872  -30.514 1.00 10.56 ? 28  LEU   B N   1 
ATOM   188  C CA  . LEU   A 1 22  ? -36.752 -1.473  -29.783 1.00 11.41 ? 28  LEU   B CA  1 
ATOM   189  C C   . LEU   A 1 22  ? -36.146 -0.201  -30.405 1.00 11.45 ? 28  LEU   B C   1 
ATOM   190  O O   . LEU   A 1 22  ? -36.165 -0.010  -31.627 1.00 12.44 ? 28  LEU   B O   1 
ATOM   191  C CB  . LEU   A 1 22  ? -35.735 -2.608  -29.793 1.00 10.13 ? 28  LEU   B CB  1 
ATOM   192  C CG  . LEU   A 1 22  ? -36.174 -3.861  -29.059 1.00 11.48 ? 28  LEU   B CG  1 
ATOM   193  C CD1 . LEU   A 1 22  ? -35.050 -4.881  -29.059 1.00 11.83 ? 28  LEU   B CD1 1 
ATOM   194  C CD2 . LEU   A 1 22  ? -36.601 -3.605  -27.657 1.00 12.37 ? 28  LEU   B CD2 1 
ATOM   195  N N   . ILE   A 1 23  ? -35.517 0.566   -29.547 1.00 11.25 ? 29  ILE   B N   1 
ATOM   196  C CA  . ILE   A 1 23  ? -34.742 1.785   -29.899 1.00 12.42 ? 29  ILE   B CA  1 
ATOM   197  C C   . ILE   A 1 23  ? -33.292 1.557   -29.466 1.00 12.77 ? 29  ILE   B C   1 
ATOM   198  O O   . ILE   A 1 23  ? -33.034 1.432   -28.251 1.00 13.15 ? 29  ILE   B O   1 
ATOM   199  C CB  . ILE   A 1 23  ? -35.315 3.021   -29.261 1.00 13.55 ? 29  ILE   B CB  1 
ATOM   200  C CG1 . ILE   A 1 23  ? -36.795 3.275   -29.667 1.00 13.67 ? 29  ILE   B CG1 1 
ATOM   201  C CG2 . ILE   A 1 23  ? -34.445 4.241   -29.610 1.00 15.23 ? 29  ILE   B CG2 1 
ATOM   202  C CD1 . ILE   A 1 23  ? -37.450 4.337   -28.907 1.00 15.54 ? 29  ILE   B CD1 1 
ATOM   203  N N   . ILE   A 1 24  ? -32.429 1.478   -30.455 1.00 15.10 ? 30  ILE   B N   1 
ATOM   204  C CA  . ILE   A 1 24  ? -30.976 1.267   -30.236 1.00 15.11 ? 30  ILE   B CA  1 
ATOM   205  C C   . ILE   A 1 24  ? -30.278 2.597   -30.401 1.00 16.77 ? 30  ILE   B C   1 
ATOM   206  O O   . ILE   A 1 24  ? -30.557 3.335   -31.407 1.00 17.50 ? 30  ILE   B O   1 
ATOM   207  C CB  . ILE   A 1 24  ? -30.455 0.208   -31.177 1.00 15.86 ? 30  ILE   B CB  1 
ATOM   208  C CG1 . ILE   A 1 24  ? -31.030 -1.148  -30.799 1.00 19.28 ? 30  ILE   B CG1 1 
ATOM   209  C CG2 . ILE   A 1 24  ? -28.925 0.137   -31.142 1.00 16.57 ? 30  ILE   B CG2 1 
ATOM   210  C CD1 . ILE   A 1 24  ? -30.819 -2.144  -31.755 1.00 21.47 ? 30  ILE   B CD1 1 
ATOM   211  N N   . SER   A 1 25  ? -29.398 2.958   -29.500 1.00 16.09 ? 31  SER   B N   1 
ATOM   212  C CA  . SER   A 1 25  ? -28.699 4.243   -29.548 1.00 16.56 ? 31  SER   B CA  1 
ATOM   213  C C   . SER   A 1 25  ? -27.783 4.331   -30.789 1.00 15.66 ? 31  SER   B C   1 
ATOM   214  O O   . SER   A 1 25  ? -27.390 3.334   -31.352 1.00 15.69 ? 31  SER   B O   1 
ATOM   215  C CB  . SER   A 1 25  ? -27.952 4.417   -28.275 1.00 17.46 ? 31  SER   B CB  1 
ATOM   216  O OG  . SER   A 1 25  ? -26.979 3.380   -28.143 1.00 17.05 ? 31  SER   B OG  1 
ATOM   217  N N   . LYS   A 1 26  ? -27.386 5.575   -31.132 1.00 18.94 ? 32  LYS   B N   1 
ATOM   218  C CA  . LYS   A 1 26  ? -26.500 5.822   -32.298 1.00 19.44 ? 32  LYS   B CA  1 
ATOM   219  C C   . LYS   A 1 26  ? -25.214 4.997   -32.185 1.00 17.57 ? 32  LYS   B C   1 
ATOM   220  O O   . LYS   A 1 26  ? -24.754 4.501   -33.211 1.00 20.38 ? 32  LYS   B O   1 
ATOM   221  C CB  . LYS   A 1 26  ? -26.161 7.320   -32.343 1.00 22.14 ? 32  LYS   B CB  1 
ATOM   222  C CG  . LYS   A 1 26  ? -25.235 7.692   -33.469 1.00 26.03 ? 32  LYS   B CG  1 
ATOM   223  C CD  . LYS   A 1 26  ? -25.366 9.144   -33.806 1.00 25.83 ? 32  LYS   B CD  1 
ATOM   224  C CE  . LYS   A 1 26  ? -25.192 10.005  -32.586 1.00 31.50 ? 32  LYS   B CE  1 
ATOM   225  N NZ  . LYS   A 1 26  ? -25.376 11.403  -32.997 1.00 34.00 ? 32  LYS   B NZ  1 
ATOM   226  N N   . ASP   A 1 27  ? -24.644 4.924   -30.983 1.00 17.67 ? 33  ASP   B N   1 
ATOM   227  C CA  . ASP   A 1 27  ? -23.372 4.180   -30.766 1.00 16.77 ? 33  ASP   B CA  1 
ATOM   228  C C   . ASP   A 1 27  ? -23.606 2.652   -30.743 1.00 16.03 ? 33  ASP   B C   1 
ATOM   229  O O   . ASP   A 1 27  ? -22.605 1.907   -30.644 1.00 16.37 ? 33  ASP   B O   1 
ATOM   230  C CB  . ASP   A 1 27  ? -22.615 4.663   -29.531 1.00 18.61 ? 33  ASP   B CB  1 
ATOM   231  C CG  . ASP   A 1 27  ? -23.286 4.407   -28.198 1.00 18.91 ? 33  ASP   B CG  1 
ATOM   232  O OD1 . ASP   A 1 27  ? -24.390 3.749   -28.195 1.00 19.29 ? 33  ASP   B OD1 1 
ATOM   233  O OD2 . ASP   A 1 27  ? -22.676 4.812   -27.189 1.00 22.92 ? 33  ASP   B OD2 1 
ATOM   234  N N   . ARG   A 1 28  ? -24.835 2.167   -30.875 1.00 14.59 ? 34  ARG   B N   1 
ATOM   235  C CA  . ARG   A 1 28  ? -25.187 0.727   -30.863 1.00 14.81 ? 34  ARG   B CA  1 
ATOM   236  C C   . ARG   A 1 28  ? -24.750 0.074   -29.536 1.00 12.69 ? 34  ARG   B C   1 
ATOM   237  O O   . ARG   A 1 28  ? -24.583 -1.163  -29.536 1.00 13.48 ? 34  ARG   B O   1 
ATOM   238  C CB  . ARG   A 1 28  ? -24.647 0.041   -32.117 1.00 18.36 ? 34  ARG   B CB  1 
ATOM   239  C CG  . ARG   A 1 28  ? -25.240 0.641   -33.393 1.00 22.86 ? 34  ARG   B CG  1 
ATOM   240  C CD  . ARG   A 1 28  ? -24.818 0.027   -34.684 1.00 30.15 ? 34  ARG   B CD  1 
ATOM   241  N NE  . ARG   A 1 28  ? -23.394 -0.173  -34.848 1.00 38.58 ? 34  ARG   B NE  1 
ATOM   242  C CZ  . ARG   A 1 28  ? -22.740 -1.349  -34.771 1.00 50.86 ? 34  ARG   B CZ  1 
ATOM   243  N NH1 . ARG   A 1 28  ? -23.365 -2.505  -34.515 1.00 44.75 ? 34  ARG   B NH1 1 
ATOM   244  N NH2 . ARG   A 1 28  ? -21.429 -1.352  -34.973 1.00 56.31 ? 34  ARG   B NH2 1 
ATOM   245  N N   . ARG   A 1 29  ? -24.712 0.809   -28.459 1.00 11.77 ? 35  ARG   B N   1 
ATOM   246  C CA  . ARG   A 1 29  ? -24.320 0.273   -27.132 1.00 13.07 ? 35  ARG   B CA  1 
ATOM   247  C C   . ARG   A 1 29  ? -25.471 0.261   -26.129 1.00 13.24 ? 35  ARG   B C   1 
ATOM   248  O O   . ARG   A 1 29  ? -25.298 -0.289  -25.022 1.00 14.61 ? 35  ARG   B O   1 
ATOM   249  C CB  . ARG   A 1 29  ? -23.151 1.059   -26.537 1.00 14.17 ? 35  ARG   B CB  1 
ATOM   250  C CG  . ARG   A 1 29  ? -21.913 0.964   -27.419 1.00 17.02 ? 35  ARG   B CG  1 
ATOM   251  C CD  . ARG   A 1 29  ? -21.053 -0.237  -27.194 1.00 17.98 ? 35  ARG   B CD  1 
ATOM   252  N NE  . ARG   A 1 29  ? -20.303 -0.055  -25.958 1.00 18.93 ? 35  ARG   B NE  1 
ATOM   253  C CZ  . ARG   A 1 29  ? -19.555 -0.998  -25.371 1.00 17.92 ? 35  ARG   B CZ  1 
ATOM   254  N NH1 . ARG   A 1 29  ? -19.493 -2.186  -25.906 1.00 18.80 ? 35  ARG   B NH1 1 
ATOM   255  N NH2 . ARG   A 1 29  ? -18.913 -0.732  -24.257 1.00 20.13 ? 35  ARG   B NH2 1 
ATOM   256  N N   . GLN   A 1 30  ? -26.631 0.852   -26.414 1.00 12.13 ? 36  GLN   B N   1 
ATOM   257  C CA  . GLN   A 1 30  ? -27.799 0.876   -25.522 1.00 12.89 ? 36  GLN   B CA  1 
ATOM   258  C C   . GLN   A 1 30  ? -29.053 0.485   -26.285 1.00 11.92 ? 36  GLN   B C   1 
ATOM   259  O O   . GLN   A 1 30  ? -29.155 0.756   -27.506 1.00 12.65 ? 36  GLN   B O   1 
ATOM   260  C CB  . GLN   A 1 30  ? -28.016 2.275   -24.928 1.00 15.75 ? 36  GLN   B CB  1 
ATOM   261  C CG  . GLN   A 1 30  ? -26.763 2.908   -24.377 1.00 19.09 ? 36  GLN   B CG  1 
ATOM   262  C CD  . GLN   A 1 30  ? -27.132 4.125   -23.559 1.00 23.21 ? 36  GLN   B CD  1 
ATOM   263  O OE1 . GLN   A 1 30  ? -28.292 4.328   -23.161 1.00 25.58 ? 36  GLN   B OE1 1 
ATOM   264  N NE2 . GLN   A 1 30  ? -26.140 4.956   -23.320 1.00 27.54 ? 36  GLN   B NE2 1 
ATOM   265  N N   . VAL   A 1 31  ? -29.989 -0.125  -25.582 1.00 11.42 ? 37  VAL   B N   1 
ATOM   266  C CA  . VAL   A 1 31  ? -31.279 -0.504  -26.194 1.00 11.49 ? 37  VAL   B CA  1 
ATOM   267  C C   . VAL   A 1 31  ? -32.361 -0.346  -25.143 1.00 11.68 ? 37  VAL   B C   1 
ATOM   268  O O   . VAL   A 1 31  ? -32.172 -0.720  -23.984 1.00 11.15 ? 37  VAL   B O   1 
ATOM   269  C CB  . VAL   A 1 31  ? -31.212 -1.906  -26.802 1.00 11.22 ? 37  VAL   B CB  1 
ATOM   270  C CG1 . VAL   A 1 31  ? -30.810 -2.981  -25.780 1.00 11.14 ? 37  VAL   B CG1 1 
ATOM   271  C CG2 . VAL   A 1 31  ? -32.537 -2.280  -27.454 1.00 12.04 ? 37  VAL   B CG2 1 
ATOM   272  N N   . ARG   A 1 32  ? -33.517 0.163   -25.552 1.00 11.81 ? 38  ARG   B N   1 
ATOM   273  C CA  . ARG   A 1 32  ? -34.705 0.235   -24.676 1.00 12.45 ? 38  ARG   B CA  1 
ATOM   274  C C   . ARG   A 1 32  ? -35.958 -0.072  -25.506 1.00 11.66 ? 38  ARG   B C   1 
ATOM   275  O O   . ARG   A 1 32  ? -35.953 0.003   -26.751 1.00 10.86 ? 38  ARG   B O   1 
ATOM   276  C CB  . ARG   A 1 32  ? -34.815 1.609   -24.016 1.00 14.18 ? 38  ARG   B CB  1 
ATOM   277  C CG  . ARG   A 1 32  ? -35.104 2.733   -24.998 1.00 16.19 ? 38  ARG   B CG  1 
ATOM   278  C CD  . ARG   A 1 32  ? -35.039 4.052   -24.235 1.00 18.78 ? 38  ARG   B CD  1 
ATOM   279  N NE  . ARG   A 1 32  ? -35.372 5.158   -25.101 1.00 22.85 ? 38  ARG   B NE  1 
ATOM   280  C CZ  . ARG   A 1 32  ? -36.584 5.618   -25.358 1.00 19.94 ? 38  ARG   B CZ  1 
ATOM   281  N NH1 . ARG   A 1 32  ? -37.675 5.090   -24.839 1.00 24.15 ? 38  ARG   B NH1 1 
ATOM   282  N NH2 . ARG   A 1 32  ? -36.668 6.669   -26.182 1.00 26.67 ? 38  ARG   B NH2 1 
ATOM   283  N N   A MET   A 1 33  ? -37.004 -0.400  -24.760 0.34 11.56 ? 39  MET   B N   1 
ATOM   284  N N   B MET   A 1 33  ? -37.027 -0.501  -24.839 0.29 12.06 ? 39  MET   B N   1 
ATOM   285  C CA  A MET   A 1 33  ? -38.368 -0.644  -25.287 0.34 12.83 ? 39  MET   B CA  1 
ATOM   286  C CA  B MET   A 1 33  ? -38.302 -0.779  -25.559 0.29 12.97 ? 39  MET   B CA  1 
ATOM   287  C C   A MET   A 1 33  ? -39.010 0.704   -25.631 0.34 12.44 ? 39  MET   B C   1 
ATOM   288  C C   B MET   A 1 33  ? -39.115 0.513   -25.626 0.29 12.49 ? 39  MET   B C   1 
ATOM   289  O O   A MET   A 1 33  ? -39.043 1.593   -24.787 0.34 13.76 ? 39  MET   B O   1 
ATOM   290  O O   B MET   A 1 33  ? -39.468 1.075   -24.536 0.29 11.38 ? 39  MET   B O   1 
ATOM   291  C CB  A MET   A 1 33  ? -39.178 -1.389  -24.220 0.34 13.05 ? 39  MET   B CB  1 
ATOM   292  C CB  B MET   A 1 33  ? -39.164 -1.876  -24.924 0.29 14.15 ? 39  MET   B CB  1 
ATOM   293  C CG  A MET   A 1 33  ? -40.552 -1.878  -24.681 0.34 14.55 ? 39  MET   B CG  1 
ATOM   294  C CG  B MET   A 1 33  ? -40.493 -2.098  -25.714 0.29 16.21 ? 39  MET   B CG  1 
ATOM   295  S SD  A MET   A 1 33  ? -40.476 -2.867  -26.232 0.34 17.18 ? 39  MET   B SD  1 
ATOM   296  S SD  B MET   A 1 33  ? -41.315 -3.593  -25.125 0.29 18.08 ? 39  MET   B SD  1 
ATOM   297  C CE  A MET   A 1 33  ? -42.060 -3.701  -26.227 0.34 16.59 ? 39  MET   B CE  1 
ATOM   298  C CE  B MET   A 1 33  ? -42.678 -3.644  -26.288 0.29 17.78 ? 39  MET   B CE  1 
ATOM   299  N N   . GLY   A 1 34  ? -39.422 0.877   -26.876 1.00 12.30 ? 40  GLY   B N   1 
ATOM   300  C CA  . GLY   A 1 34  ? -40.234 2.047   -27.238 1.00 14.23 ? 40  GLY   B CA  1 
ATOM   301  C C   . GLY   A 1 34  ? -41.684 1.830   -26.876 1.00 15.71 ? 40  GLY   B C   1 
ATOM   302  O O   . GLY   A 1 34  ? -42.099 0.738   -26.476 1.00 15.90 ? 40  GLY   B O   1 
ATOM   303  N N   . ASP   A 1 35  ? -42.451 2.926   -26.936 1.00 18.38 ? 41  ASP   B N   1 
ATOM   304  C CA  . ASP   A 1 35  ? -43.892 2.868   -26.538 1.00 21.85 ? 41  ASP   B CA  1 
ATOM   305  C C   . ASP   A 1 35  ? -44.732 2.514   -27.786 1.00 20.45 ? 41  ASP   B C   1 
ATOM   306  O O   . ASP   A 1 35  ? -45.973 2.391   -27.657 1.00 21.53 ? 41  ASP   B O   1 
ATOM   307  C CB  . ASP   A 1 35  ? -44.337 4.144   -25.780 1.00 27.30 ? 41  ASP   B CB  1 
ATOM   308  C CG  . ASP   A 1 35  ? -43.895 4.264   -24.302 1.00 37.56 ? 41  ASP   B CG  1 
ATOM   309  O OD1 . ASP   A 1 35  ? -43.736 3.216   -23.623 1.00 39.30 ? 41  ASP   B OD1 1 
ATOM   310  O OD2 . ASP   A 1 35  ? -43.755 5.416   -23.798 1.00 40.93 ? 41  ASP   B OD2 1 
ATOM   311  N N   . THR   A 1 36  ? -44.120 2.235   -28.921 1.00 16.36 ? 42  THR   B N   1 
ATOM   312  C CA  . THR   A 1 36  ? -44.824 1.938   -30.208 1.00 16.33 ? 42  THR   B CA  1 
ATOM   313  C C   . THR   A 1 36  ? -43.880 1.250   -31.200 1.00 13.96 ? 42  THR   B C   1 
ATOM   314  O O   . THR   A 1 36  ? -42.597 1.229   -30.999 1.00 12.91 ? 42  THR   B O   1 
ATOM   315  C CB  . THR   A 1 36  ? -45.388 3.275   -30.676 1.00 18.99 ? 42  THR   B CB  1 
ATOM   316  O OG1 . THR   A 1 36  ? -46.248 2.995   -31.746 1.00 19.72 ? 42  THR   B OG1 1 
ATOM   317  C CG2 . THR   A 1 36  ? -44.285 4.209   -31.113 1.00 20.74 ? 42  THR   B CG2 1 
ATOM   318  N N   . HIS   A 1 37  ? -44.371 0.785   -32.352 1.00 13.64 ? 43  HIS   B N   1 
ATOM   319  C CA  . HIS   A 1 37  ? -43.540 0.323   -33.493 1.00 12.59 ? 43  HIS   B CA  1 
ATOM   320  C C   . HIS   A 1 37  ? -42.598 1.432   -33.929 1.00 13.73 ? 43  HIS   B C   1 
ATOM   321  O O   . HIS   A 1 37  ? -43.071 2.571   -34.123 1.00 14.21 ? 43  HIS   B O   1 
ATOM   322  C CB  . HIS   A 1 37  ? -44.477 -0.175  -34.599 1.00 12.41 ? 43  HIS   B CB  1 
ATOM   323  C CG  . HIS   A 1 37  ? -43.868 -0.822  -35.776 1.00 12.33 ? 43  HIS   B CG  1 
ATOM   324  N ND1 . HIS   A 1 37  ? -43.071 -0.157  -36.696 1.00 12.37 ? 43  HIS   B ND1 1 
ATOM   325  C CD2 . HIS   A 1 37  ? -43.962 -2.105  -36.221 1.00 12.48 ? 43  HIS   B CD2 1 
ATOM   326  C CE1 . HIS   A 1 37  ? -42.735 -0.993  -37.655 1.00 12.84 ? 43  HIS   B CE1 1 
ATOM   327  N NE2 . HIS   A 1 37  ? -43.275 -2.236  -37.383 1.00 12.94 ? 43  HIS   B NE2 1 
ATOM   328  N N   . GLN   A 1 38  ? -41.328 1.117   -34.165 1.00 12.34 ? 44  GLN   B N   1 
ATOM   329  C CA  . GLN   A 1 38  ? -40.293 2.122   -34.450 1.00 12.26 ? 44  GLN   B CA  1 
ATOM   330  C C   . GLN   A 1 38  ? -40.125 2.389   -35.948 1.00 13.45 ? 44  GLN   B C   1 
ATOM   331  O O   . GLN   A 1 38  ? -39.108 3.010   -36.337 1.00 14.53 ? 44  GLN   B O   1 
ATOM   332  C CB  . GLN   A 1 38  ? -38.984 1.716   -33.757 1.00 11.59 ? 44  GLN   B CB  1 
ATOM   333  C CG  . GLN   A 1 38  ? -39.117 1.778   -32.272 1.00 12.65 ? 44  GLN   B CG  1 
ATOM   334  C CD  . GLN   A 1 38  ? -39.604 3.093   -31.744 1.00 12.37 ? 44  GLN   B CD  1 
ATOM   335  O OE1 . GLN   A 1 38  ? -40.547 3.224   -30.940 1.00 16.88 ? 44  GLN   B OE1 1 
ATOM   336  N NE2 . GLN   A 1 38  ? -38.960 4.153   -32.161 1.00 11.82 ? 44  GLN   B NE2 1 
ATOM   337  N N   . ASN   A 1 39  ? -41.082 2.005   -36.782 1.00 13.12 ? 45  ASN   B N   1 
ATOM   338  C CA  . ASN   A 1 39  ? -41.154 2.461   -38.198 1.00 12.15 ? 45  ASN   B CA  1 
ATOM   339  C C   . ASN   A 1 39  ? -40.044 1.855   -39.031 1.00 14.05 ? 45  ASN   B C   1 
ATOM   340  O O   . ASN   A 1 39  ? -39.608 2.451   -40.035 1.00 15.79 ? 45  ASN   B O   1 
ATOM   341  C CB  . ASN   A 1 39  ? -41.219 4.005   -38.326 1.00 13.04 ? 45  ASN   B CB  1 
ATOM   342  C CG  . ASN   A 1 39  ? -41.857 4.419   -39.646 1.00 13.60 ? 45  ASN   B CG  1 
ATOM   343  O OD1 . ASN   A 1 39  ? -42.730 3.734   -40.176 1.00 12.94 ? 45  ASN   B OD1 1 
ATOM   344  N ND2 . ASN   A 1 39  ? -41.401 5.547   -40.196 1.00 13.05 ? 45  ASN   B ND2 1 
ATOM   345  N N   . VAL   A 1 40  ? -39.686 0.613   -38.748 1.00 15.32 ? 46  VAL   B N   1 
ATOM   346  C CA  . VAL   A 1 40  ? -38.717 -0.199  -39.522 1.00 16.16 ? 46  VAL   B CA  1 
ATOM   347  C C   . VAL   A 1 40  ? -39.468 -1.234  -40.369 1.00 15.00 ? 46  VAL   B C   1 
ATOM   348  O O   . VAL   A 1 40  ? -40.531 -1.661  -39.966 1.00 15.34 ? 46  VAL   B O   1 
ATOM   349  C CB  . VAL   A 1 40  ? -37.704 -0.893  -38.587 1.00 16.91 ? 46  VAL   B CB  1 
ATOM   350  C CG1 . VAL   A 1 40  ? -36.769 0.107   -37.934 1.00 19.95 ? 46  VAL   B CG1 1 
ATOM   351  C CG2 . VAL   A 1 40  ? -38.357 -1.770  -37.530 1.00 17.94 ? 46  VAL   B CG2 1 
ATOM   352  N N   . SER   A 1 41  ? -38.884 -1.668  -41.483 1.00 17.59 ? 47  SER   B N   1 
ATOM   353  C CA  . SER   A 1 41  ? -39.420 -2.791  -42.271 1.00 18.99 ? 47  SER   B CA  1 
ATOM   354  C C   . SER   A 1 41  ? -39.220 -4.115  -41.541 1.00 17.31 ? 47  SER   B C   1 
ATOM   355  O O   . SER   A 1 41  ? -38.280 -4.236  -40.736 1.00 16.86 ? 47  SER   B O   1 
ATOM   356  C CB  . SER   A 1 41  ? -38.779 -2.807  -43.652 1.00 20.64 ? 47  SER   B CB  1 
ATOM   357  O OG  . SER   A 1 41  ? -37.366 -2.883  -43.534 1.00 23.33 ? 47  SER   B OG  1 
ATOM   358  N N   . ASP   A 1 42  ? -40.071 -5.094  -41.773 1.00 17.81 ? 48  ASP   B N   1 
ATOM   359  C CA  . ASP   A 1 42  ? -39.910 -6.454  -41.222 1.00 17.29 ? 48  ASP   B CA  1 
ATOM   360  C C   . ASP   A 1 42  ? -38.824 -7.182  -42.009 1.00 18.78 ? 48  ASP   B C   1 
ATOM   361  O O   . ASP   A 1 42  ? -38.557 -6.841  -43.177 1.00 18.76 ? 48  ASP   B O   1 
ATOM   362  C CB  . ASP   A 1 42  ? -41.223 -7.210  -41.208 1.00 19.10 ? 48  ASP   B CB  1 
ATOM   363  C CG  . ASP   A 1 42  ? -41.138 -8.462  -40.370 1.00 22.65 ? 48  ASP   B CG  1 
ATOM   364  O OD1 . ASP   A 1 42  ? -40.434 -8.462  -39.274 1.00 18.59 ? 48  ASP   B OD1 1 
ATOM   365  O OD2 . ASP   A 1 42  ? -41.642 -9.484  -40.892 1.00 27.38 ? 48  ASP   B OD2 1 
ATOM   366  N N   . ASN   A 1 43  ? -38.187 -8.177  -41.380 1.00 17.27 ? 49  ASN   B N   1 
ATOM   367  C CA  . ASN   A 1 43  ? -37.178 -9.037  -42.042 1.00 18.32 ? 49  ASN   B CA  1 
ATOM   368  C C   . ASN   A 1 43  ? -37.134 -10.352 -41.267 1.00 18.03 ? 49  ASN   B C   1 
ATOM   369  O O   . ASN   A 1 43  ? -37.725 -10.459 -40.150 1.00 18.44 ? 49  ASN   B O   1 
ATOM   370  C CB  . ASN   A 1 43  ? -35.837 -8.362  -42.208 1.00 18.01 ? 49  ASN   B CB  1 
ATOM   371  C CG  . ASN   A 1 43  ? -35.108 -8.172  -40.888 1.00 17.42 ? 49  ASN   B CG  1 
ATOM   372  O OD1 . ASN   A 1 43  ? -34.927 -9.138  -40.131 1.00 19.93 ? 49  ASN   B OD1 1 
ATOM   373  N ND2 . ASN   A 1 43  ? -34.710 -6.989  -40.580 1.00 17.13 ? 49  ASN   B ND2 1 
ATOM   374  N N   . LYS   A 1 44  ? -36.496 -11.351 -41.830 1.00 18.84 ? 50  LYS   B N   1 
ATOM   375  C CA  . LYS   A 1 44  ? -36.531 -12.706 -41.245 1.00 19.92 ? 50  LYS   B CA  1 
ATOM   376  C C   . LYS   A 1 44  ? -35.633 -12.784 -39.983 1.00 16.98 ? 50  LYS   B C   1 
ATOM   377  O O   . LYS   A 1 44  ? -35.857 -13.753 -39.209 1.00 19.09 ? 50  LYS   B O   1 
ATOM   378  C CB  . LYS   A 1 44  ? -36.043 -13.737 -42.281 1.00 23.25 ? 50  LYS   B CB  1 
ATOM   379  C CG  . LYS   A 1 44  ? -34.597 -13.551 -42.685 1.00 27.94 ? 50  LYS   B CG  1 
ATOM   380  C CD  . LYS   A 1 44  ? -34.128 -14.350 -43.898 1.00 37.74 ? 50  LYS   B CD  1 
ATOM   381  C CE  . LYS   A 1 44  ? -32.619 -14.282 -44.025 1.00 41.42 ? 50  LYS   B CE  1 
ATOM   382  N NZ  . LYS   A 1 44  ? -32.108 -15.240 -45.034 1.00 48.61 ? 50  LYS   B NZ  1 
ATOM   383  N N   . GLU   A 1 45  ? -34.722 -11.842 -39.783 1.00 16.53 ? 51  GLU   B N   1 
ATOM   384  C CA  . GLU   A 1 45  ? -33.816 -11.820 -38.586 1.00 16.56 ? 51  GLU   B CA  1 
ATOM   385  C C   . GLU   A 1 45  ? -34.553 -11.301 -37.330 1.00 16.10 ? 51  GLU   B C   1 
ATOM   386  O O   . GLU   A 1 45  ? -34.143 -11.667 -36.193 1.00 17.10 ? 51  GLU   B O   1 
ATOM   387  C CB  . GLU   A 1 45  ? -32.590 -10.977 -38.839 1.00 19.40 ? 51  GLU   B CB  1 
ATOM   388  C CG  . GLU   A 1 45  ? -31.710 -11.442 -40.002 1.00 24.65 ? 51  GLU   B CG  1 
ATOM   389  C CD  . GLU   A 1 45  ? -30.559 -10.457 -40.184 1.00 31.10 ? 51  GLU   B CD  1 
ATOM   390  O OE1 . GLU   A 1 45  ? -30.578 -9.690  -41.188 1.00 38.94 ? 51  GLU   B OE1 1 
ATOM   391  O OE2 . GLU   A 1 45  ? -29.669 -10.384 -39.303 1.00 35.82 ? 51  GLU   B OE2 1 
ATOM   392  N N   . ARG   A 1 46  ? -35.599 -10.481 -37.442 1.00 14.55 ? 52  ARG   B N   1 
ATOM   393  C CA  . ARG   A 1 46  ? -36.145 -9.785  -36.250 1.00 14.05 ? 52  ARG   B CA  1 
ATOM   394  C C   . ARG   A 1 46  ? -36.854 -10.744 -35.329 1.00 13.23 ? 52  ARG   B C   1 
ATOM   395  O O   . ARG   A 1 46  ? -37.711 -11.572 -35.715 1.00 14.12 ? 52  ARG   B O   1 
ATOM   396  C CB  . ARG   A 1 46  ? -37.155 -8.712  -36.660 1.00 13.17 ? 52  ARG   B CB  1 
ATOM   397  C CG  . ARG   A 1 46  ? -36.559 -7.560  -37.426 1.00 14.03 ? 52  ARG   B CG  1 
ATOM   398  C CD  . ARG   A 1 46  ? -37.520 -6.326  -37.418 1.00 13.30 ? 52  ARG   B CD  1 
ATOM   399  N NE  . ARG   A 1 46  ? -36.999 -5.292  -38.287 1.00 14.89 ? 52  ARG   B NE  1 
ATOM   400  C CZ  . ARG   A 1 46  ? -35.885 -4.602  -38.091 1.00 13.74 ? 52  ARG   B CZ  1 
ATOM   401  N NH1 . ARG   A 1 46  ? -35.277 -4.632  -36.901 1.00 13.21 ? 52  ARG   B NH1 1 
ATOM   402  N NH2 . ARG   A 1 46  ? -35.411 -3.761  -39.018 1.00 16.45 ? 52  ARG   B NH2 1 
ATOM   403  N N   . PHE   A 1 47  ? -36.571 -10.663 -34.030 1.00 12.37 ? 53  PHE   B N   1 
ATOM   404  C CA  . PHE   A 1 47  ? -37.392 -11.374 -33.037 1.00 11.52 ? 53  PHE   B CA  1 
ATOM   405  C C   . PHE   A 1 47  ? -38.812 -10.770 -33.038 1.00 13.82 ? 53  PHE   B C   1 
ATOM   406  O O   . PHE   A 1 47  ? -38.969 -9.574  -32.780 1.00 14.61 ? 53  PHE   B O   1 
ATOM   407  C CB  . PHE   A 1 47  ? -36.812 -11.280 -31.626 1.00 11.01 ? 53  PHE   B CB  1 
ATOM   408  C CG  . PHE   A 1 47  ? -35.576 -12.135 -31.481 1.00 10.72 ? 53  PHE   B CG  1 
ATOM   409  C CD1 . PHE   A 1 47  ? -35.686 -13.504 -31.244 1.00 10.83 ? 53  PHE   B CD1 1 
ATOM   410  C CD2 . PHE   A 1 47  ? -34.304 -11.590 -31.551 1.00 11.54 ? 53  PHE   B CD2 1 
ATOM   411  C CE1 . PHE   A 1 47  ? -34.553 -14.296 -31.107 1.00 11.86 ? 53  PHE   B CE1 1 
ATOM   412  C CE2 . PHE   A 1 47  ? -33.173 -12.401 -31.401 1.00 11.86 ? 53  PHE   B CE2 1 
ATOM   413  C CZ  . PHE   A 1 47  ? -33.327 -13.756 -31.185 1.00 10.97 ? 53  PHE   B CZ  1 
ATOM   414  N N   . SER   A 1 48  ? -39.824 -11.560 -33.332 1.00 13.92 ? 54  SER   B N   1 
ATOM   415  C CA  . SER   A 1 48  ? -41.198 -11.028 -33.537 1.00 14.92 ? 54  SER   B CA  1 
ATOM   416  C C   . SER   A 1 48  ? -41.965 -10.921 -32.240 1.00 15.38 ? 54  SER   B C   1 
ATOM   417  O O   . SER   A 1 48  ? -42.758 -9.955  -32.109 1.00 17.96 ? 54  SER   B O   1 
ATOM   418  C CB  . SER   A 1 48  ? -41.915 -11.896 -34.543 1.00 16.18 ? 54  SER   B CB  1 
ATOM   419  O OG  . SER   A 1 48  ? -42.099 -13.219 -34.097 1.00 15.22 ? 54  SER   B OG  1 
ATOM   420  N N   . ASN   A 1 49  ? -41.836 -11.826 -31.291 1.00 13.57 ? 55  ASN   B N   1 
ATOM   421  C CA  . ASN   A 1 49  ? -42.775 -11.987 -30.160 1.00 14.57 ? 55  ASN   B CA  1 
ATOM   422  C C   . ASN   A 1 49  ? -42.303 -11.319 -28.870 1.00 13.10 ? 55  ASN   B C   1 
ATOM   423  O O   . ASN   A 1 49  ? -43.096 -11.153 -27.951 1.00 14.98 ? 55  ASN   B O   1 
ATOM   424  C CB  . ASN   A 1 49  ? -43.113 -13.448 -29.878 1.00 16.40 ? 55  ASN   B CB  1 
ATOM   425  C CG  . ASN   A 1 49  ? -44.000 -14.082 -30.956 1.00 17.88 ? 55  ASN   B CG  1 
ATOM   426  O OD1 . ASN   A 1 49  ? -43.812 -13.895 -32.161 1.00 21.27 ? 55  ASN   B OD1 1 
ATOM   427  N ND2 . ASN   A 1 49  ? -45.022 -14.760 -30.477 1.00 24.08 ? 55  ASN   B ND2 1 
ATOM   428  N N   . TYR   A 1 50  ? -41.003 -11.027 -28.774 1.00 12.32 ? 56  TYR   B N   1 
ATOM   429  C CA  . TYR   A 1 50  ? -40.395 -10.553 -27.508 1.00 11.51 ? 56  TYR   B CA  1 
ATOM   430  C C   . TYR   A 1 50  ? -39.428 -9.408  -27.816 1.00 10.61 ? 56  TYR   B C   1 
ATOM   431  O O   . TYR   A 1 50  ? -38.892 -9.307  -28.922 1.00 11.58 ? 56  TYR   B O   1 
ATOM   432  C CB  . TYR   A 1 50  ? -39.585 -11.684 -26.859 1.00 11.94 ? 56  TYR   B CB  1 
ATOM   433  C CG  . TYR   A 1 50  ? -40.304 -13.010 -26.768 1.00 12.53 ? 56  TYR   B CG  1 
ATOM   434  C CD1 . TYR   A 1 50  ? -41.304 -13.208 -25.841 1.00 14.85 ? 56  TYR   B CD1 1 
ATOM   435  C CD2 . TYR   A 1 50  ? -40.018 -14.075 -27.620 1.00 13.68 ? 56  TYR   B CD2 1 
ATOM   436  C CE1 . TYR   A 1 50  ? -41.975 -14.430 -25.740 1.00 16.71 ? 56  TYR   B CE1 1 
ATOM   437  C CE2 . TYR   A 1 50  ? -40.720 -15.271 -27.579 1.00 14.22 ? 56  TYR   B CE2 1 
ATOM   438  C CZ  . TYR   A 1 50  ? -41.672 -15.459 -26.607 1.00 16.15 ? 56  TYR   B CZ  1 
ATOM   439  O OH  . TYR   A 1 50  ? -42.327 -16.662 -26.516 1.00 17.05 ? 56  TYR   B OH  1 
ATOM   440  N N   . PRO   A 1 51  ? -39.122 -8.533  -26.822 1.00 10.25 ? 57  PRO   B N   1 
ATOM   441  C CA  . PRO   A 1 51  ? -38.263 -7.366  -27.026 1.00 10.80 ? 57  PRO   B CA  1 
ATOM   442  C C   . PRO   A 1 51  ? -36.748 -7.702  -27.011 1.00 9.68  ? 57  PRO   B C   1 
ATOM   443  O O   . PRO   A 1 51  ? -35.989 -7.186  -26.203 1.00 10.39 ? 57  PRO   B O   1 
ATOM   444  C CB  . PRO   A 1 51  ? -38.662 -6.404  -25.867 1.00 12.10 ? 57  PRO   B CB  1 
ATOM   445  C CG  . PRO   A 1 51  ? -39.881 -7.018  -25.251 1.00 13.24 ? 57  PRO   B CG  1 
ATOM   446  C CD  . PRO   A 1 51  ? -39.790 -8.476  -25.523 1.00 11.23 ? 57  PRO   B CD  1 
ATOM   447  N N   . MET   A 1 52  ? -36.370 -8.577  -27.956 1.00 10.02 ? 58  MET   B N   1 
ATOM   448  C CA  . MET   A 1 52  ? -35.019 -9.170  -28.031 1.00 9.09  ? 58  MET   B CA  1 
ATOM   449  C C   . MET   A 1 52  ? -34.209 -8.577  -29.167 1.00 10.01 ? 58  MET   B C   1 
ATOM   450  O O   . MET   A 1 52  ? -34.725 -8.096  -30.201 1.00 10.29 ? 58  MET   B O   1 
ATOM   451  C CB  . MET   A 1 52  ? -35.148 -10.679 -28.218 1.00 9.90  ? 58  MET   B CB  1 
ATOM   452  C CG  . MET   A 1 52  ? -35.685 -11.391 -27.032 1.00 9.77  ? 58  MET   B CG  1 
ATOM   453  S SD  . MET   A 1 52  ? -36.190 -13.080 -27.439 1.00 11.78 ? 58  MET   B SD  1 
ATOM   454  C CE  . MET   A 1 52  ? -36.800 -13.707 -25.892 1.00 12.99 ? 58  MET   B CE  1 
ATOM   455  N N   . VAL   A 1 53  ? -32.887 -8.648  -29.004 1.00 9.63  ? 59  VAL   B N   1 
ATOM   456  C CA  . VAL   A 1 53  ? -31.916 -8.176  -30.016 1.00 9.97  ? 59  VAL   B CA  1 
ATOM   457  C C   . VAL   A 1 53  ? -30.621 -8.969  -29.816 1.00 10.45 ? 59  VAL   B C   1 
ATOM   458  O O   . VAL   A 1 53  ? -30.324 -9.363  -28.658 1.00 10.50 ? 59  VAL   B O   1 
ATOM   459  C CB  . VAL   A 1 53  ? -31.699 -6.646  -29.953 1.00 10.44 ? 59  VAL   B CB  1 
ATOM   460  C CG1 . VAL   A 1 53  ? -31.173 -6.189  -28.613 1.00 11.05 ? 59  VAL   B CG1 1 
ATOM   461  C CG2 . VAL   A 1 53  ? -30.846 -6.132  -31.115 1.00 10.77 ? 59  VAL   B CG2 1 
ATOM   462  N N   . LEU   A 1 54  ? -29.842 -9.125  -30.867 1.00 10.15 ? 60  LEU   B N   1 
ATOM   463  C CA  . LEU   A 1 54  ? -28.528 -9.791  -30.788 1.00 10.07 ? 60  LEU   B CA  1 
ATOM   464  C C   . LEU   A 1 54  ? -27.405 -8.798  -30.900 1.00 10.88 ? 60  LEU   B C   1 
ATOM   465  O O   . LEU   A 1 54  ? -27.502 -7.725  -31.600 1.00 12.11 ? 60  LEU   B O   1 
ATOM   466  C CB  . LEU   A 1 54  ? -28.367 -10.838 -31.889 1.00 10.94 ? 60  LEU   B CB  1 
ATOM   467  C CG  . LEU   A 1 54  ? -29.431 -11.909 -31.916 1.00 11.53 ? 60  LEU   B CG  1 
ATOM   468  C CD1 . LEU   A 1 54  ? -29.160 -13.010 -32.945 1.00 14.15 ? 60  LEU   B CD1 1 
ATOM   469  C CD2 . LEU   A 1 54  ? -29.611 -12.551 -30.552 1.00 11.69 ? 60  LEU   B CD2 1 
ATOM   470  N N   . GLY   A 1 55  ? -26.247 -9.134  -30.341 1.00 10.96 ? 61  GLY   B N   1 
ATOM   471  C CA  . GLY   A 1 55  ? -24.991 -8.443  -30.711 1.00 11.33 ? 61  GLY   B CA  1 
ATOM   472  C C   . GLY   A 1 55  ? -24.583 -8.752  -32.152 1.00 11.36 ? 61  GLY   B C   1 
ATOM   473  O O   . GLY   A 1 55  ? -24.895 -9.819  -32.641 1.00 12.40 ? 61  GLY   B O   1 
ATOM   474  N N   . ALA   A 1 56  ? -23.816 -7.863  -32.735 1.00 13.09 ? 62  ALA   B N   1 
ATOM   475  C CA  . ALA   A 1 56  ? -23.320 -8.042  -34.119 1.00 14.70 ? 62  ALA   B CA  1 
ATOM   476  C C   . ALA   A 1 56  ? -22.200 -9.088  -34.154 1.00 15.96 ? 62  ALA   B C   1 
ATOM   477  O O   . ALA   A 1 56  ? -22.019 -9.769  -35.204 1.00 19.20 ? 62  ALA   B O   1 
ATOM   478  C CB  . ALA   A 1 56  ? -22.854 -6.713  -34.613 1.00 16.56 ? 62  ALA   B CB  1 
ATOM   479  N N   . GLN   A 1 57  ? -21.479 -9.215  -33.050 1.00 14.98 ? 63  GLN   B N   1 
ATOM   480  C CA  . GLN   A 1 57  ? -20.262 -10.069 -33.034 1.00 15.22 ? 63  GLN   B CA  1 
ATOM   481  C C   . GLN   A 1 57  ? -20.687 -11.537 -33.051 1.00 16.31 ? 63  GLN   B C   1 
ATOM   482  O O   . GLN   A 1 57  ? -21.721 -11.913 -32.439 1.00 16.94 ? 63  GLN   B O   1 
ATOM   483  C CB  . GLN   A 1 57  ? -19.390 -9.709  -31.824 1.00 17.36 ? 63  GLN   B CB  1 
ATOM   484  C CG  . GLN   A 1 57  ? -18.715 -8.357  -31.896 1.00 19.11 ? 63  GLN   B CG  1 
ATOM   485  C CD  . GLN   A 1 57  ? -19.674 -7.187  -31.763 1.00 19.25 ? 63  GLN   B CD  1 
ATOM   486  O OE1 . GLN   A 1 57  ? -20.627 -7.262  -30.996 1.00 17.63 ? 63  GLN   B OE1 1 
ATOM   487  N NE2 . GLN   A 1 57  ? -19.439 -6.085  -32.445 1.00 21.45 ? 63  GLN   B NE2 1 
ATOM   488  N N   . ARG   A 1 58  ? -19.929 -12.387 -33.742 1.00 16.42 ? 64  ARG   B N   1 
ATOM   489  C CA  . ARG   A 1 58  ? -20.094 -13.855 -33.772 1.00 15.90 ? 64  ARG   B CA  1 
ATOM   490  C C   . ARG   A 1 58  ? -18.822 -14.490 -33.233 1.00 14.56 ? 64  ARG   B C   1 
ATOM   491  O O   . ARG   A 1 58  ? -17.718 -14.033 -33.580 1.00 18.06 ? 64  ARG   B O   1 
ATOM   492  C CB  . ARG   A 1 58  ? -20.279 -14.398 -35.203 1.00 20.44 ? 64  ARG   B CB  1 
ATOM   493  C CG  . ARG   A 1 58  ? -21.657 -14.195 -35.835 1.00 28.99 ? 64  ARG   B CG  1 
ATOM   494  C CD  . ARG   A 1 58  ? -22.111 -12.757 -35.776 1.00 31.49 ? 64  ARG   B CD  1 
ATOM   495  N NE  . ARG   A 1 58  ? -23.017 -12.073 -36.710 1.00 35.47 ? 64  ARG   B NE  1 
ATOM   496  C CZ  . ARG   A 1 58  ? -23.724 -12.583 -37.717 1.00 34.54 ? 64  ARG   B CZ  1 
ATOM   497  N NH1 . ARG   A 1 58  ? -24.490 -11.766 -38.428 1.00 39.28 ? 64  ARG   B NH1 1 
ATOM   498  N NH2 . ARG   A 1 58  ? -23.676 -13.857 -38.040 1.00 33.75 ? 64  ARG   B NH2 1 
ATOM   499  N N   . PHE   A 1 59  ? -18.982 -15.428 -32.331 1.00 13.67 ? 65  PHE   B N   1 
ATOM   500  C CA  . PHE   A 1 59  ? -17.823 -16.100 -31.684 1.00 14.10 ? 65  PHE   B CA  1 
ATOM   501  C C   . PHE   A 1 59  ? -17.887 -17.598 -31.960 1.00 12.83 ? 65  PHE   B C   1 
ATOM   502  O O   . PHE   A 1 59  ? -18.892 -18.259 -31.732 1.00 13.01 ? 65  PHE   B O   1 
ATOM   503  C CB  . PHE   A 1 59  ? -17.890 -15.853 -30.158 1.00 15.61 ? 65  PHE   B CB  1 
ATOM   504  C CG  . PHE   A 1 59  ? -17.899 -14.385 -29.769 1.00 17.48 ? 65  PHE   B CG  1 
ATOM   505  C CD1 . PHE   A 1 59  ? -16.886 -13.562 -30.231 1.00 20.47 ? 65  PHE   B CD1 1 
ATOM   506  C CD2 . PHE   A 1 59  ? -18.894 -13.830 -29.008 1.00 25.28 ? 65  PHE   B CD2 1 
ATOM   507  C CE1 . PHE   A 1 59  ? -16.839 -12.205 -29.945 1.00 22.94 ? 65  PHE   B CE1 1 
ATOM   508  C CE2 . PHE   A 1 59  ? -18.832 -12.474 -28.680 1.00 20.11 ? 65  PHE   B CE2 1 
ATOM   509  C CZ  . PHE   A 1 59  ? -17.847 -11.675 -29.193 1.00 21.21 ? 65  PHE   B CZ  1 
ATOM   510  N N   A SER   A 1 60  ? -16.771 -18.172 -32.432 0.25 13.33 ? 66  SER   B N   1 
ATOM   511  N N   B SER   A 1 60  ? -16.767 -18.173 -32.419 0.25 13.58 ? 66  SER   B N   1 
ATOM   512  C CA  A SER   A 1 60  ? -16.674 -19.623 -32.752 0.25 13.77 ? 66  SER   B CA  1 
ATOM   513  C CA  B SER   A 1 60  ? -16.639 -19.629 -32.705 0.25 14.18 ? 66  SER   B CA  1 
ATOM   514  C C   A SER   A 1 60  ? -15.454 -20.262 -32.064 0.25 13.74 ? 66  SER   B C   1 
ATOM   515  C C   B SER   A 1 60  ? -15.361 -20.190 -32.088 0.25 14.36 ? 66  SER   B C   1 
ATOM   516  O O   A SER   A 1 60  ? -15.298 -21.497 -32.170 0.25 13.74 ? 66  SER   B O   1 
ATOM   517  O O   B SER   A 1 60  ? -14.942 -21.278 -32.492 0.25 13.63 ? 66  SER   B O   1 
ATOM   518  C CB  A SER   A 1 60  ? -16.707 -19.853 -34.261 0.25 13.88 ? 66  SER   B CB  1 
ATOM   519  C CB  B SER   A 1 60  ? -16.620 -19.894 -34.174 0.25 14.28 ? 66  SER   B CB  1 
ATOM   520  O OG  A SER   A 1 60  ? -18.059 -19.739 -34.759 0.25 14.17 ? 66  SER   B OG  1 
ATOM   521  O OG  B SER   A 1 60  ? -15.552 -19.188 -34.748 0.25 14.97 ? 66  SER   B OG  1 
ATOM   522  N N   A SER   A 1 61  ? -14.690 -19.476 -31.296 0.25 13.45 ? 67  SER   B N   1 
ATOM   523  N N   B SER   A 1 61  ? -14.745 -19.458 -31.170 0.25 14.87 ? 67  SER   B N   1 
ATOM   524  C CA  A SER   A 1 61  ? -13.487 -19.937 -30.559 0.25 14.20 ? 67  SER   B CA  1 
ATOM   525  C CA  B SER   A 1 61  ? -13.476 -19.885 -30.551 0.25 16.36 ? 67  SER   B CA  1 
ATOM   526  C C   A SER   A 1 61  ? -13.168 -18.955 -29.429 0.25 15.04 ? 67  SER   B C   1 
ATOM   527  C C   B SER   A 1 61  ? -13.069 -18.877 -29.484 0.25 16.23 ? 67  SER   B C   1 
ATOM   528  O O   A SER   A 1 61  ? -13.788 -17.893 -29.408 0.25 14.59 ? 67  SER   B O   1 
ATOM   529  O O   B SER   A 1 61  ? -13.489 -17.706 -29.588 0.25 15.28 ? 67  SER   B O   1 
ATOM   530  C CB  A SER   A 1 61  ? -12.310 -20.063 -31.517 0.25 14.22 ? 67  SER   B CB  1 
ATOM   531  C CB  B SER   A 1 61  ? -12.411 -20.014 -31.621 0.25 17.71 ? 67  SER   B CB  1 
ATOM   532  O OG  A SER   A 1 61  ? -11.856 -18.784 -31.931 0.25 14.26 ? 67  SER   B OG  1 
ATOM   533  O OG  B SER   A 1 61  ? -11.189 -20.441 -31.049 0.25 21.30 ? 67  SER   B OG  1 
ATOM   534  N N   . GLY   A 1 62  ? -12.234 -19.310 -28.542 1.00 16.53 ? 68  GLY   B N   1 
ATOM   535  C CA  . GLY   A 1 62  ? -11.623 -18.354 -27.613 1.00 17.55 ? 68  GLY   B CA  1 
ATOM   536  C C   . GLY   A 1 62  ? -12.459 -18.073 -26.374 1.00 13.89 ? 68  GLY   B C   1 
ATOM   537  O O   . GLY   A 1 62  ? -13.467 -18.739 -26.115 1.00 15.56 ? 68  GLY   B O   1 
ATOM   538  N N   . LYS   A 1 63  ? -11.965 -17.085 -25.659 1.00 14.14 ? 69  LYS   B N   1 
ATOM   539  C CA  . LYS   A 1 63  ? -12.548 -16.609 -24.407 1.00 15.07 ? 69  LYS   B CA  1 
ATOM   540  C C   . LYS   A 1 63  ? -12.971 -15.167 -24.638 1.00 14.49 ? 69  LYS   B C   1 
ATOM   541  O O   . LYS   A 1 63  ? -12.173 -14.344 -25.109 1.00 15.87 ? 69  LYS   B O   1 
ATOM   542  C CB  . LYS   A 1 63  ? -11.540 -16.739 -23.273 1.00 16.87 ? 69  LYS   B CB  1 
ATOM   543  C CG  . LYS   A 1 63  ? -11.149 -18.173 -22.930 1.00 17.10 ? 69  LYS   B CG  1 
ATOM   544  C CD  . LYS   A 1 63  ? -9.997  -18.251 -21.886 1.00 19.64 ? 69  LYS   B CD  1 
ATOM   545  C CE  . LYS   A 1 63  ? -9.655  -19.662 -21.475 1.00 22.54 ? 69  LYS   B CE  1 
ATOM   546  N NZ  . LYS   A 1 63  ? -8.605  -19.644 -20.417 1.00 25.40 ? 69  LYS   B NZ  1 
ATOM   547  N N   . MET   A 1 64  ? -14.186 -14.817 -24.225 1.00 13.56 ? 70  MET   B N   1 
ATOM   548  C CA  . MET   A 1 64  ? -14.789 -13.493 -24.425 1.00 13.45 ? 70  MET   B CA  1 
ATOM   549  C C   . MET   A 1 64  ? -15.458 -13.053 -23.124 1.00 12.73 ? 70  MET   B C   1 
ATOM   550  O O   . MET   A 1 64  ? -16.050 -13.890 -22.435 1.00 13.68 ? 70  MET   B O   1 
ATOM   551  C CB  . MET   A 1 64  ? -15.902 -13.577 -25.458 1.00 13.76 ? 70  MET   B CB  1 
ATOM   552  C CG  . MET   A 1 64  ? -15.506 -13.755 -26.913 1.00 14.61 ? 70  MET   B CG  1 
ATOM   553  S SD  . MET   A 1 64  ? -14.731 -15.325 -27.415 1.00 16.84 ? 70  MET   B SD  1 
ATOM   554  C CE  . MET   A 1 64  ? -15.933 -16.557 -26.991 1.00 17.44 ? 70  MET   B CE  1 
ATOM   555  N N   . TYR   A 1 65  ? -15.435 -11.770 -22.837 1.00 13.11 ? 71  TYR   B N   1 
ATOM   556  C CA  . TYR   A 1 65  ? -16.038 -11.195 -21.613 1.00 12.82 ? 71  TYR   B CA  1 
ATOM   557  C C   . TYR   A 1 65  ? -16.662 -9.867  -21.982 1.00 13.19 ? 71  TYR   B C   1 
ATOM   558  O O   . TYR   A 1 65  ? -16.033 -9.035  -22.679 1.00 13.56 ? 71  TYR   B O   1 
ATOM   559  C CB  . TYR   A 1 65  ? -14.989 -11.018 -20.512 1.00 13.96 ? 71  TYR   B CB  1 
ATOM   560  C CG  . TYR   A 1 65  ? -15.512 -10.413 -19.236 1.00 13.34 ? 71  TYR   B CG  1 
ATOM   561  C CD1 . TYR   A 1 65  ? -16.238 -11.186 -18.345 1.00 13.32 ? 71  TYR   B CD1 1 
ATOM   562  C CD2 . TYR   A 1 65  ? -15.338 -9.055  -18.957 1.00 13.92 ? 71  TYR   B CD2 1 
ATOM   563  C CE1 . TYR   A 1 65  ? -16.753 -10.647 -17.165 1.00 14.24 ? 71  TYR   B CE1 1 
ATOM   564  C CE2 . TYR   A 1 65  ? -15.852 -8.512  -17.789 1.00 13.02 ? 71  TYR   B CE2 1 
ATOM   565  C CZ  . TYR   A 1 65  ? -16.551 -9.293  -16.905 1.00 13.50 ? 71  TYR   B CZ  1 
ATOM   566  O OH  . TYR   A 1 65  ? -17.058 -8.710  -15.776 1.00 15.62 ? 71  TYR   B OH  1 
ATOM   567  N N   . TRP   A 1 66  ? -17.856 -9.602  -21.485 1.00 11.38 ? 72  TRP   B N   1 
ATOM   568  C CA  . TRP   A 1 66  ? -18.441 -8.247  -21.568 1.00 11.47 ? 72  TRP   B CA  1 
ATOM   569  C C   . TRP   A 1 66  ? -19.327 -7.981  -20.348 1.00 11.91 ? 72  TRP   B C   1 
ATOM   570  O O   . TRP   A 1 66  ? -19.691 -8.918  -19.614 1.00 12.63 ? 72  TRP   B O   1 
ATOM   571  C CB  . TRP   A 1 66  ? -19.171 -8.046  -22.927 1.00 11.26 ? 72  TRP   B CB  1 
ATOM   572  C CG  . TRP   A 1 66  ? -20.348 -8.918  -23.197 1.00 11.14 ? 72  TRP   B CG  1 
ATOM   573  C CD1 . TRP   A 1 66  ? -21.680 -8.628  -22.996 1.00 11.18 ? 72  TRP   B CD1 1 
ATOM   574  C CD2 . TRP   A 1 66  ? -20.357 -10.236 -23.743 1.00 11.93 ? 72  TRP   B CD2 1 
ATOM   575  N NE1 . TRP   A 1 66  ? -22.483 -9.678  -23.359 1.00 11.77 ? 72  TRP   B NE1 1 
ATOM   576  C CE2 . TRP   A 1 66  ? -21.688 -10.677 -23.845 1.00 12.15 ? 72  TRP   B CE2 1 
ATOM   577  C CE3 . TRP   A 1 66  ? -19.338 -11.112 -24.136 1.00 13.74 ? 72  TRP   B CE3 1 
ATOM   578  C CZ2 . TRP   A 1 66  ? -22.039 -11.913 -24.343 1.00 12.12 ? 72  TRP   B CZ2 1 
ATOM   579  C CZ3 . TRP   A 1 66  ? -19.682 -12.331 -24.670 1.00 15.91 ? 72  TRP   B CZ3 1 
ATOM   580  C CH2 . TRP   A 1 66  ? -21.005 -12.750 -24.734 1.00 13.97 ? 72  TRP   B CH2 1 
ATOM   581  N N   . GLU   A 1 67  ? -19.740 -6.717  -20.200 1.00 11.45 ? 73  GLU   B N   1 
ATOM   582  C CA  . GLU   A 1 67  ? -20.580 -6.286  -19.050 1.00 11.36 ? 73  GLU   B CA  1 
ATOM   583  C C   . GLU   A 1 67  ? -21.800 -5.506  -19.517 1.00 10.80 ? 73  GLU   B C   1 
ATOM   584  O O   . GLU   A 1 67  ? -21.723 -4.780  -20.508 1.00 11.73 ? 73  GLU   B O   1 
ATOM   585  C CB  . GLU   A 1 67  ? -19.780 -5.418  -18.079 1.00 12.80 ? 73  GLU   B CB  1 
ATOM   586  C CG  . GLU   A 1 67  ? -18.686 -6.237  -17.385 1.00 15.70 ? 73  GLU   B CG  1 
ATOM   587  C CD  . GLU   A 1 67  ? -17.828 -5.488  -16.386 1.00 18.83 ? 73  GLU   B CD  1 
ATOM   588  O OE1 . GLU   A 1 67  ? -17.986 -4.231  -16.300 1.00 23.55 ? 73  GLU   B OE1 1 
ATOM   589  O OE2 . GLU   A 1 67  ? -16.986 -6.165  -15.669 1.00 18.06 ? 73  GLU   B OE2 1 
ATOM   590  N N   . VAL   A 1 68  ? -22.911 -5.730  -18.822 1.00 11.52 ? 74  VAL   B N   1 
ATOM   591  C CA  . VAL   A 1 68  ? -24.183 -5.080  -19.170 1.00 11.16 ? 74  VAL   B CA  1 
ATOM   592  C C   . VAL   A 1 68  ? -24.733 -4.399  -17.922 1.00 10.54 ? 74  VAL   B C   1 
ATOM   593  O O   . VAL   A 1 68  ? -24.852 -5.044  -16.864 1.00 11.79 ? 74  VAL   B O   1 
ATOM   594  C CB  . VAL   A 1 68  ? -25.189 -6.092  -19.731 1.00 11.07 ? 74  VAL   B CB  1 
ATOM   595  C CG1 . VAL   A 1 68  ? -26.435 -5.363  -20.178 1.00 12.29 ? 74  VAL   B CG1 1 
ATOM   596  C CG2 . VAL   A 1 68  ? -24.580 -6.961  -20.816 1.00 12.27 ? 74  VAL   B CG2 1 
ATOM   597  N N   . ASP   A 1 69  ? -25.181 -3.137  -18.088 1.00 11.17 ? 75  ASP   B N   1 
ATOM   598  C CA  . ASP   A 1 69  ? -25.854 -2.369  -17.021 1.00 12.74 ? 75  ASP   B CA  1 
ATOM   599  C C   . ASP   A 1 69  ? -27.344 -2.661  -17.069 1.00 11.23 ? 75  ASP   B C   1 
ATOM   600  O O   . ASP   A 1 69  ? -27.973 -2.525  -18.183 1.00 11.74 ? 75  ASP   B O   1 
ATOM   601  C CB  . ASP   A 1 69  ? -25.579 -0.868  -17.194 1.00 13.94 ? 75  ASP   B CB  1 
ATOM   602  C CG  . ASP   A 1 69  ? -25.966 -0.049  -15.954 1.00 16.99 ? 75  ASP   B CG  1 
ATOM   603  O OD1 . ASP   A 1 69  ? -27.122 -0.033  -15.611 1.00 16.08 ? 75  ASP   B OD1 1 
ATOM   604  O OD2 . ASP   A 1 69  ? -25.058 0.428   -15.231 1.00 21.51 ? 75  ASP   B OD2 1 
ATOM   605  N N   . VAL   A 1 70  ? -27.911 -3.048  -15.939 1.00 11.38 ? 76  VAL   B N   1 
ATOM   606  C CA  . VAL   A 1 70  ? -29.347 -3.400  -15.771 1.00 12.07 ? 76  VAL   B CA  1 
ATOM   607  C C   . VAL   A 1 70  ? -30.042 -2.494  -14.721 1.00 12.50 ? 76  VAL   B C   1 
ATOM   608  O O   . VAL   A 1 70  ? -31.090 -2.838  -14.214 1.00 13.17 ? 76  VAL   B O   1 
ATOM   609  C CB  . VAL   A 1 70  ? -29.506 -4.903  -15.430 1.00 11.84 ? 76  VAL   B CB  1 
ATOM   610  C CG1 . VAL   A 1 70  ? -28.931 -5.817  -16.550 1.00 11.60 ? 76  VAL   B CG1 1 
ATOM   611  C CG2 . VAL   A 1 70  ? -28.873 -5.288  -14.105 1.00 12.45 ? 76  VAL   B CG2 1 
ATOM   612  N N   . THR   A 1 71  ? -29.400 -1.391  -14.357 1.00 12.78 ? 77  THR   B N   1 
ATOM   613  C CA  . THR   A 1 71  ? -29.908 -0.453  -13.330 1.00 14.14 ? 77  THR   B CA  1 
ATOM   614  C C   . THR   A 1 71  ? -31.395 -0.134  -13.562 1.00 14.02 ? 77  THR   B C   1 
ATOM   615  O O   . THR   A 1 71  ? -31.808 0.216   -14.679 1.00 14.10 ? 77  THR   B O   1 
ATOM   616  C CB  . THR   A 1 71  ? -29.100 0.844   -13.354 1.00 14.67 ? 77  THR   B CB  1 
ATOM   617  O OG1 . THR   A 1 71  ? -27.722 0.568   -13.057 1.00 18.33 ? 77  THR   B OG1 1 
ATOM   618  C CG2 . THR   A 1 71  ? -29.687 1.822   -12.352 1.00 18.76 ? 77  THR   B CG2 1 
ATOM   619  N N   . GLN   A 1 72  ? -32.137 -0.261  -12.472 1.00 15.85 ? 78  GLN   B N   1 
ATOM   620  C CA  . GLN   A 1 72  ? -33.566 0.093   -12.278 1.00 18.35 ? 78  GLN   B CA  1 
ATOM   621  C C   . GLN   A 1 72  ? -34.503 -0.703  -13.172 1.00 19.11 ? 78  GLN   B C   1 
ATOM   622  O O   . GLN   A 1 72  ? -35.701 -0.379  -13.199 1.00 21.98 ? 78  GLN   B O   1 
ATOM   623  C CB  . GLN   A 1 72  ? -33.804 1.589   -12.401 1.00 27.46 ? 78  GLN   B CB  1 
ATOM   624  C CG  . GLN   A 1 72  ? -33.541 2.195   -13.757 1.00 32.35 ? 78  GLN   B CG  1 
ATOM   625  C CD  . GLN   A 1 72  ? -34.504 3.322   -14.061 1.00 37.27 ? 78  GLN   B CD  1 
ATOM   626  O OE1 . GLN   A 1 72  ? -34.116 4.359   -14.597 1.00 40.11 ? 78  GLN   B OE1 1 
ATOM   627  N NE2 . GLN   A 1 72  ? -35.786 3.079   -13.806 1.00 43.21 ? 78  GLN   B NE2 1 
ATOM   628  N N   . LYS   A 1 73  ? -34.088 -1.793  -13.777 1.00 13.58 ? 79  LYS   B N   1 
ATOM   629  C CA  . LYS   A 1 73  ? -35.036 -2.639  -14.511 1.00 12.12 ? 79  LYS   B CA  1 
ATOM   630  C C   . LYS   A 1 73  ? -35.744 -3.655  -13.613 1.00 11.26 ? 79  LYS   B C   1 
ATOM   631  O O   . LYS   A 1 73  ? -35.125 -4.150  -12.634 1.00 14.08 ? 79  LYS   B O   1 
ATOM   632  C CB  . LYS   A 1 73  ? -34.302 -3.337  -15.653 1.00 12.48 ? 79  LYS   B CB  1 
ATOM   633  C CG  . LYS   A 1 73  ? -33.880 -2.370  -16.774 1.00 13.20 ? 79  LYS   B CG  1 
ATOM   634  C CD  . LYS   A 1 73  ? -33.380 -3.007  -18.025 1.00 14.38 ? 79  LYS   B CD  1 
ATOM   635  C CE  . LYS   A 1 73  ? -34.455 -3.741  -18.799 1.00 12.32 ? 79  LYS   B CE  1 
ATOM   636  N NZ  . LYS   A 1 73  ? -35.638 -2.878  -19.128 1.00 11.13 ? 79  LYS   B NZ  1 
ATOM   637  N N   . GLU   A 1 74  ? -36.976 -3.987  -13.937 1.00 10.37 ? 80  GLU   B N   1 
ATOM   638  C CA  . GLU   A 1 74  ? -37.774 -5.003  -13.253 1.00 10.42 ? 80  GLU   B CA  1 
ATOM   639  C C   . GLU   A 1 74  ? -37.687 -6.370  -13.938 1.00 10.32 ? 80  GLU   B C   1 
ATOM   640  O O   . GLU   A 1 74  ? -38.051 -7.369  -13.367 1.00 11.15 ? 80  GLU   B O   1 
ATOM   641  C CB  . GLU   A 1 74  ? -39.259 -4.588  -13.260 1.00 11.63 ? 80  GLU   B CB  1 
ATOM   642  C CG  . GLU   A 1 74  ? -39.578 -3.341  -12.467 1.00 13.50 ? 80  GLU   B CG  1 
ATOM   643  C CD  . GLU   A 1 74  ? -41.037 -2.904  -12.583 1.00 13.51 ? 80  GLU   B CD  1 
ATOM   644  O OE1 . GLU   A 1 74  ? -41.446 -2.077  -11.758 1.00 16.02 ? 80  GLU   B OE1 1 
ATOM   645  O OE2 . GLU   A 1 74  ? -41.751 -3.429  -13.480 1.00 14.28 ? 80  GLU   B OE2 1 
ATOM   646  N N   . ALA   A 1 75  ? -37.335 -6.408  -15.232 1.00 10.11 ? 81  ALA   B N   1 
ATOM   647  C CA  . ALA   A 1 75  ? -37.356 -7.656  -16.012 1.00 10.14 ? 81  ALA   B CA  1 
ATOM   648  C C   . ALA   A 1 75  ? -36.391 -7.532  -17.179 1.00 11.39 ? 81  ALA   B C   1 
ATOM   649  O O   . ALA   A 1 75  ? -36.331 -6.471  -17.827 1.00 10.45 ? 81  ALA   B O   1 
ATOM   650  C CB  . ALA   A 1 75  ? -38.744 -7.965  -16.513 1.00 11.03 ? 81  ALA   B CB  1 
ATOM   651  N N   . TRP   A 1 76  ? -35.637 -8.603  -17.446 1.00 9.84  ? 82  TRP   B N   1 
ATOM   652  C CA  . TRP   A 1 76  ? -34.652 -8.682  -18.566 1.00 9.65  ? 82  TRP   B CA  1 
ATOM   653  C C   . TRP   A 1 76  ? -34.144 -10.099 -18.644 1.00 9.93  ? 82  TRP   B C   1 
ATOM   654  O O   . TRP   A 1 76  ? -34.248 -10.852 -17.674 1.00 10.55 ? 82  TRP   B O   1 
ATOM   655  C CB  . TRP   A 1 76  ? -33.490 -7.696  -18.360 1.00 9.84  ? 82  TRP   B CB  1 
ATOM   656  C CG  . TRP   A 1 76  ? -32.810 -7.737  -17.034 1.00 10.30 ? 82  TRP   B CG  1 
ATOM   657  C CD1 . TRP   A 1 76  ? -33.022 -6.887  -16.001 1.00 11.41 ? 82  TRP   B CD1 1 
ATOM   658  C CD2 . TRP   A 1 76  ? -31.852 -8.691  -16.501 1.00 10.37 ? 82  TRP   B CD2 1 
ATOM   659  N NE1 . TRP   A 1 76  ? -32.279 -7.183  -14.910 1.00 11.19 ? 82  TRP   B NE1 1 
ATOM   660  C CE2 . TRP   A 1 76  ? -31.555 -8.323  -15.178 1.00 11.14 ? 82  TRP   B CE2 1 
ATOM   661  C CE3 . TRP   A 1 76  ? -31.209 -9.842  -17.014 1.00 11.17 ? 82  TRP   B CE3 1 
ATOM   662  C CZ2 . TRP   A 1 76  ? -30.627 -8.982  -14.377 1.00 11.05 ? 82  TRP   B CZ2 1 
ATOM   663  C CZ3 . TRP   A 1 76  ? -30.319 -10.533 -16.213 1.00 11.37 ? 82  TRP   B CZ3 1 
ATOM   664  C CH2 . TRP   A 1 76  ? -30.034 -10.099 -14.910 1.00 11.87 ? 82  TRP   B CH2 1 
ATOM   665  N N   . ASP   A 1 77  ? -33.636 -10.436 -19.821 1.00 9.59  ? 83  ASP   B N   1 
ATOM   666  C CA  . ASP   A 1 77  ? -32.859 -11.692 -20.025 1.00 10.19 ? 83  ASP   B CA  1 
ATOM   667  C C   . ASP   A 1 77  ? -31.490 -11.298 -20.602 1.00 9.79  ? 83  ASP   B C   1 
ATOM   668  O O   . ASP   A 1 77  ? -31.452 -10.423 -21.485 1.00 9.94  ? 83  ASP   B O   1 
ATOM   669  C CB  . ASP   A 1 77  ? -33.532 -12.666 -20.985 1.00 11.39 ? 83  ASP   B CB  1 
ATOM   670  C CG  . ASP   A 1 77  ? -35.005 -12.893 -20.847 1.00 13.85 ? 83  ASP   B CG  1 
ATOM   671  O OD1 . ASP   A 1 77  ? -35.431 -12.898 -19.744 1.00 16.91 ? 83  ASP   B OD1 1 
ATOM   672  O OD2 . ASP   A 1 77  ? -35.696 -13.053 -21.903 1.00 15.87 ? 83  ASP   B OD2 1 
ATOM   673  N N   . LEU   A 1 78  ? -30.417 -11.999 -20.244 1.00 8.84  ? 84  LEU   B N   1 
ATOM   674  C CA  . LEU   A 1 78  ? -29.070 -11.745 -20.771 1.00 9.44  ? 84  LEU   B CA  1 
ATOM   675  C C   . LEU   A 1 78  ? -28.354 -13.080 -20.954 1.00 9.26  ? 84  LEU   B C   1 
ATOM   676  O O   . LEU   A 1 78  ? -28.485 -13.980 -20.149 1.00 9.52  ? 84  LEU   B O   1 
ATOM   677  C CB  . LEU   A 1 78  ? -28.248 -10.909 -19.800 1.00 9.86  ? 84  LEU   B CB  1 
ATOM   678  C CG  . LEU   A 1 78  ? -28.592 -9.433  -19.685 1.00 11.59 ? 84  LEU   B CG  1 
ATOM   679  C CD1 . LEU   A 1 78  ? -27.754 -8.819  -18.564 1.00 12.12 ? 84  LEU   B CD1 1 
ATOM   680  C CD2 . LEU   A 1 78  ? -28.374 -8.740  -21.017 1.00 12.05 ? 84  LEU   B CD2 1 
ATOM   681  N N   . GLY   A 1 79  ? -27.521 -13.126 -21.998 1.00 8.22  ? 85  GLY   B N   1 
ATOM   682  C CA  . GLY   A 1 79  ? -26.549 -14.224 -22.118 1.00 9.00  ? 85  GLY   B CA  1 
ATOM   683  C C   . GLY   A 1 79  ? -26.020 -14.295 -23.531 1.00 8.25  ? 85  GLY   B C   1 
ATOM   684  O O   . GLY   A 1 79  ? -25.617 -13.275 -24.095 1.00 9.31  ? 85  GLY   B O   1 
ATOM   685  N N   A VAL   A 1 80  ? -25.943 -15.527 -24.040 0.25 8.69  ? 86  VAL   B N   1 
ATOM   686  N N   B VAL   A 1 80  ? -25.995 -15.499 -24.076 0.25 9.03  ? 86  VAL   B N   1 
ATOM   687  C CA  A VAL   A 1 80  ? -25.541 -15.826 -25.449 0.25 8.84  ? 86  VAL   B CA  1 
ATOM   688  C CA  B VAL   A 1 80  ? -25.421 -15.760 -25.427 0.25 9.36  ? 86  VAL   B CA  1 
ATOM   689  C C   A VAL   A 1 80  ? -26.533 -16.792 -26.079 0.25 9.24  ? 86  VAL   B C   1 
ATOM   690  C C   B VAL   A 1 80  ? -26.317 -16.838 -26.061 0.25 9.60  ? 86  VAL   B C   1 
ATOM   691  O O   A VAL   A 1 80  ? -27.279 -17.514 -25.401 0.25 9.63  ? 86  VAL   B O   1 
ATOM   692  O O   B VAL   A 1 80  ? -26.877 -17.631 -25.304 0.25 10.13 ? 86  VAL   B O   1 
ATOM   693  C CB  A VAL   A 1 80  ? -24.133 -16.433 -25.590 0.25 9.30  ? 86  VAL   B CB  1 
ATOM   694  C CB  B VAL   A 1 80  ? -23.930 -16.148 -25.282 0.25 10.36 ? 86  VAL   B CB  1 
ATOM   695  C CG1 A VAL   A 1 80  ? -23.091 -15.405 -25.240 0.25 9.14  ? 86  VAL   B CG1 1 
ATOM   696  C CG1 B VAL   A 1 80  ? -23.760 -17.512 -24.630 0.25 10.47 ? 86  VAL   B CG1 1 
ATOM   697  C CG2 A VAL   A 1 80  ? -23.948 -17.702 -24.776 0.25 9.37  ? 86  VAL   B CG2 1 
ATOM   698  C CG2 B VAL   A 1 80  ? -23.175 -16.072 -26.597 0.25 11.00 ? 86  VAL   B CG2 1 
ATOM   699  N N   . CYS   A 1 81  ? -26.483 -16.847 -27.393 1.00 9.40  ? 87  CYS   B N   1 
ATOM   700  C CA  . CYS   A 1 81  ? -27.294 -17.822 -28.086 1.00 10.54 ? 87  CYS   B CA  1 
ATOM   701  C C   . CYS   A 1 81  ? -26.626 -18.230 -29.396 1.00 10.01 ? 87  CYS   B C   1 
ATOM   702  O O   . CYS   A 1 81  ? -25.744 -17.521 -29.911 1.00 10.16 ? 87  CYS   B O   1 
ATOM   703  C CB  . CYS   A 1 81  ? -28.698 -17.275 -28.334 1.00 12.24 ? 87  CYS   B CB  1 
ATOM   704  S SG  . CYS   A 1 81  ? -28.789 -15.887 -29.489 1.00 12.03 ? 87  CYS   B SG  1 
ATOM   705  N N   A ARG   A 1 82  ? -27.069 -19.355 -29.921 0.25 10.16 ? 88  ARG   B N   1 
ATOM   706  N N   B ARG   A 1 82  ? -27.033 -19.381 -29.913 0.25 10.09 ? 88  ARG   B N   1 
ATOM   707  C CA  A ARG   A 1 82  ? -26.656 -19.749 -31.287 0.25 11.06 ? 88  ARG   B CA  1 
ATOM   708  C CA  B ARG   A 1 82  ? -26.587 -19.844 -31.257 0.25 10.91 ? 88  ARG   B CA  1 
ATOM   709  C C   A ARG   A 1 82  ? -27.079 -18.696 -32.305 0.25 10.88 ? 88  ARG   B C   1 
ATOM   710  C C   B ARG   A 1 82  ? -27.121 -18.883 -32.338 0.25 10.95 ? 88  ARG   B C   1 
ATOM   711  O O   A ARG   A 1 82  ? -28.121 -18.061 -32.197 0.25 10.12 ? 88  ARG   B O   1 
ATOM   712  O O   B ARG   A 1 82  ? -28.318 -18.482 -32.261 0.25 10.54 ? 88  ARG   B O   1 
ATOM   713  C CB  A ARG   A 1 82  ? -27.307 -21.063 -31.683 0.25 11.91 ? 88  ARG   B CB  1 
ATOM   714  C CB  B ARG   A 1 82  ? -27.075 -21.280 -31.476 0.25 11.70 ? 88  ARG   B CB  1 
ATOM   715  C CG  A ARG   A 1 82  ? -26.890 -22.182 -30.754 0.25 12.47 ? 88  ARG   B CG  1 
ATOM   716  C CG  B ARG   A 1 82  ? -26.420 -21.998 -32.646 0.25 11.87 ? 88  ARG   B CG  1 
ATOM   717  C CD  A ARG   A 1 82  ? -27.374 -23.513 -31.262 0.25 13.88 ? 88  ARG   B CD  1 
ATOM   718  C CD  B ARG   A 1 82  ? -26.975 -23.384 -32.893 0.25 11.96 ? 88  ARG   B CD  1 
ATOM   719  N NE  A ARG   A 1 82  ? -27.024 -24.574 -30.328 0.25 13.34 ? 88  ARG   B NE  1 
ATOM   720  N NE  B ARG   A 1 82  ? -26.838 -24.202 -31.711 0.25 11.90 ? 88  ARG   B NE  1 
ATOM   721  C CZ  A ARG   A 1 82  ? -27.853 -25.538 -29.987 0.25 13.72 ? 88  ARG   B CZ  1 
ATOM   722  C CZ  B ARG   A 1 82  ? -27.852 -24.774 -31.063 0.25 11.72 ? 88  ARG   B CZ  1 
ATOM   723  N NH1 A ARG   A 1 82  ? -29.081 -25.549 -30.473 0.25 13.74 ? 88  ARG   B NH1 1 
ATOM   724  N NH1 B ARG   A 1 82  ? -29.075 -24.694 -31.536 0.25 13.13 ? 88  ARG   B NH1 1 
ATOM   725  N NH2 A ARG   A 1 82  ? -27.449 -26.477 -29.157 0.25 14.64 ? 88  ARG   B NH2 1 
ATOM   726  N NH2 B ARG   A 1 82  ? -27.624 -25.459 -29.959 0.25 11.70 ? 88  ARG   B NH2 1 
ATOM   727  N N   . ASP   A 1 83  ? -26.285 -18.562 -33.346 1.00 11.83 ? 89  ASP   B N   1 
ATOM   728  C CA  . ASP   A 1 83  ? -26.681 -17.669 -34.456 1.00 13.12 ? 89  ASP   B CA  1 
ATOM   729  C C   . ASP   A 1 83  ? -27.976 -18.188 -35.073 1.00 14.06 ? 89  ASP   B C   1 
ATOM   730  O O   . ASP   A 1 83  ? -28.722 -17.332 -35.624 1.00 17.56 ? 89  ASP   B O   1 
ATOM   731  C CB  . ASP   A 1 83  ? -25.559 -17.609 -35.495 1.00 15.64 ? 89  ASP   B CB  1 
ATOM   732  C CG  . ASP   A 1 83  ? -25.159 -18.900 -36.157 1.00 18.68 ? 89  ASP   B CG  1 
ATOM   733  O OD1 . ASP   A 1 83  ? -25.643 -19.995 -35.756 1.00 22.30 ? 89  ASP   B OD1 1 
ATOM   734  O OD2 . ASP   A 1 83  ? -24.365 -18.793 -37.151 1.00 23.72 ? 89  ASP   B OD2 1 
ATOM   735  N N   . SER   A 1 84  ? -28.262 -19.484 -35.066 1.00 13.19 ? 90  SER   B N   1 
ATOM   736  C CA  . SER   A 1 84  ? -29.424 -20.070 -35.759 1.00 15.78 ? 90  SER   B CA  1 
ATOM   737  C C   . SER   A 1 84  ? -30.690 -20.214 -34.897 1.00 13.70 ? 90  SER   B C   1 
ATOM   738  O O   . SER   A 1 84  ? -31.590 -20.945 -35.259 1.00 14.87 ? 90  SER   B O   1 
ATOM   739  C CB  . SER   A 1 84  ? -28.987 -21.409 -36.329 1.00 18.25 ? 90  SER   B CB  1 
ATOM   740  O OG  . SER   A 1 84  ? -28.544 -22.248 -35.339 1.00 18.87 ? 90  SER   B OG  1 
ATOM   741  N N   . VAL   A 1 85  ? -30.747 -19.574 -33.721 1.00 12.40 ? 91  VAL   B N   1 
ATOM   742  C CA  . VAL   A 1 85  ? -31.990 -19.635 -32.920 1.00 12.75 ? 91  VAL   B CA  1 
ATOM   743  C C   . VAL   A 1 85  ? -33.193 -19.137 -33.738 1.00 12.40 ? 91  VAL   B C   1 
ATOM   744  O O   . VAL   A 1 85  ? -33.074 -18.209 -34.545 1.00 13.49 ? 91  VAL   B O   1 
ATOM   745  C CB  . VAL   A 1 85  ? -31.905 -18.903 -31.564 1.00 11.93 ? 91  VAL   B CB  1 
ATOM   746  C CG1 . VAL   A 1 85  ? -30.892 -19.587 -30.658 1.00 11.98 ? 91  VAL   B CG1 1 
ATOM   747  C CG2 . VAL   A 1 85  ? -31.658 -17.426 -31.703 1.00 11.98 ? 91  VAL   B CG2 1 
ATOM   748  N N   . GLN   A 1 86  ? -34.314 -19.762 -33.443 1.00 13.60 ? 92  GLN   B N   1 
ATOM   749  C CA  . GLN   A 1 86  ? -35.660 -19.329 -33.927 1.00 14.85 ? 92  GLN   B CA  1 
ATOM   750  C C   . GLN   A 1 86  ? -35.863 -17.845 -33.610 1.00 14.16 ? 92  GLN   B C   1 
ATOM   751  O O   . GLN   A 1 86  ? -35.614 -17.414 -32.493 1.00 14.76 ? 92  GLN   B O   1 
ATOM   752  C CB  . GLN   A 1 86  ? -36.684 -20.225 -33.228 1.00 17.69 ? 92  GLN   B CB  1 
ATOM   753  C CG  . GLN   A 1 86  ? -38.167 -19.900 -33.473 1.00 20.92 ? 92  GLN   B CG  1 
ATOM   754  C CD  . GLN   A 1 86  ? -39.062 -20.743 -32.574 1.00 24.31 ? 92  GLN   B CD  1 
ATOM   755  O OE1 . GLN   A 1 86  ? -38.645 -21.748 -31.950 1.00 26.09 ? 92  GLN   B OE1 1 
ATOM   756  N NE2 . GLN   A 1 86  ? -40.345 -20.370 -32.466 1.00 26.09 ? 92  GLN   B NE2 1 
ATOM   757  N N   . ARG   A 1 87  ? -36.405 -17.100 -34.552 1.00 13.64 ? 93  ARG   B N   1 
ATOM   758  C CA  . ARG   A 1 87  ? -36.709 -15.644 -34.400 1.00 12.36 ? 93  ARG   B CA  1 
ATOM   759  C C   . ARG   A 1 87  ? -38.213 -15.416 -34.262 1.00 13.71 ? 93  ARG   B C   1 
ATOM   760  O O   . ARG   A 1 87  ? -38.593 -14.397 -33.663 1.00 13.89 ? 93  ARG   B O   1 
ATOM   761  C CB  . ARG   A 1 87  ? -36.197 -14.828 -35.562 1.00 13.49 ? 93  ARG   B CB  1 
ATOM   762  C CG  . ARG   A 1 87  ? -34.730 -15.030 -35.868 1.00 12.67 ? 93  ARG   B CG  1 
ATOM   763  C CD  . ARG   A 1 87  ? -33.811 -14.795 -34.641 1.00 13.25 ? 93  ARG   B CD  1 
ATOM   764  N NE  . ARG   A 1 87  ? -32.424 -15.257 -34.940 1.00 14.44 ? 93  ARG   B NE  1 
ATOM   765  C CZ  . ARG   A 1 87  ? -31.509 -14.541 -35.578 1.00 13.99 ? 93  ARG   B CZ  1 
ATOM   766  N NH1 . ARG   A 1 87  ? -31.785 -13.315 -35.953 1.00 16.54 ? 93  ARG   B NH1 1 
ATOM   767  N NH2 . ARG   A 1 87  ? -30.330 -15.046 -35.872 1.00 17.38 ? 93  ARG   B NH2 1 
ATOM   768  N N   . LYS   A 1 88  ? -39.055 -16.267 -34.861 1.00 13.63 ? 94  LYS   B N   1 
ATOM   769  C CA  . LYS   A 1 88  ? -40.517 -15.994 -35.017 1.00 14.88 ? 94  LYS   B CA  1 
ATOM   770  C C   . LYS   A 1 88  ? -41.331 -16.864 -34.105 1.00 16.51 ? 94  LYS   B C   1 
ATOM   771  O O   . LYS   A 1 88  ? -40.978 -18.073 -33.936 1.00 18.23 ? 94  LYS   B O   1 
ATOM   772  C CB  . LYS   A 1 88  ? -40.943 -16.181 -36.478 1.00 15.58 ? 94  LYS   B CB  1 
ATOM   773  C CG  . LYS   A 1 88  ? -40.103 -15.441 -37.488 1.00 16.41 ? 94  LYS   B CG  1 
ATOM   774  C CD  . LYS   A 1 88  ? -40.007 -13.901 -37.266 1.00 17.24 ? 94  LYS   B CD  1 
ATOM   775  C CE  . LYS   A 1 88  ? -39.209 -13.244 -38.357 1.00 17.33 ? 94  LYS   B CE  1 
ATOM   776  N NZ  . LYS   A 1 88  ? -39.145 -11.774 -38.174 1.00 17.81 ? 94  LYS   B NZ  1 
ATOM   777  N N   . GLY   A 1 89  ? -42.419 -16.358 -33.551 1.00 16.14 ? 95  GLY   B N   1 
ATOM   778  C CA  . GLY   A 1 89  ? -43.301 -17.147 -32.692 1.00 16.77 ? 95  GLY   B CA  1 
ATOM   779  C C   . GLY   A 1 89  ? -42.812 -17.301 -31.268 1.00 18.31 ? 95  GLY   B C   1 
ATOM   780  O O   . GLY   A 1 89  ? -41.840 -16.576 -30.855 1.00 17.88 ? 95  GLY   B O   1 
ATOM   781  N N   . GLN   A 1 90  ? -43.467 -18.181 -30.539 1.00 17.96 ? 96  GLN   B N   1 
ATOM   782  C CA  . GLN   A 1 90  ? -43.207 -18.437 -29.123 1.00 19.71 ? 96  GLN   B CA  1 
ATOM   783  C C   . GLN   A 1 90  ? -42.150 -19.524 -28.975 1.00 19.05 ? 96  GLN   B C   1 
ATOM   784  O O   . GLN   A 1 90  ? -42.049 -20.444 -29.820 1.00 19.34 ? 96  GLN   B O   1 
ATOM   785  C CB  . GLN   A 1 90  ? -44.504 -18.841 -28.423 1.00 23.44 ? 96  GLN   B CB  1 
ATOM   786  C CG  . GLN   A 1 90  ? -45.508 -17.712 -28.509 1.00 29.52 ? 96  GLN   B CG  1 
ATOM   787  C CD  . GLN   A 1 90  ? -46.858 -18.138 -28.025 1.00 38.16 ? 96  GLN   B CD  1 
ATOM   788  O OE1 . GLN   A 1 90  ? -47.170 -17.977 -26.846 1.00 48.41 ? 96  GLN   B OE1 1 
ATOM   789  N NE2 . GLN   A 1 90  ? -47.627 -18.725 -28.935 1.00 43.82 ? 96  GLN   B NE2 1 
ATOM   790  N N   . PHE   A 1 91  ? -41.296 -19.344 -27.973 1.00 16.30 ? 97  PHE   B N   1 
ATOM   791  C CA  . PHE   A 1 91  ? -40.267 -20.330 -27.592 1.00 16.19 ? 97  PHE   B CA  1 
ATOM   792  C C   . PHE   A 1 91  ? -39.775 -20.062 -26.183 1.00 16.37 ? 97  PHE   B C   1 
ATOM   793  O O   . PHE   A 1 91  ? -39.914 -18.946 -25.654 1.00 17.64 ? 97  PHE   B O   1 
ATOM   794  C CB  . PHE   A 1 91  ? -39.079 -20.277 -28.547 1.00 15.74 ? 97  PHE   B CB  1 
ATOM   795  C CG  . PHE   A 1 91  ? -38.461 -18.914 -28.695 1.00 15.14 ? 97  PHE   B CG  1 
ATOM   796  C CD1 . PHE   A 1 91  ? -37.468 -18.514 -27.821 1.00 15.30 ? 97  PHE   B CD1 1 
ATOM   797  C CD2 . PHE   A 1 91  ? -38.791 -18.066 -29.738 1.00 15.75 ? 97  PHE   B CD2 1 
ATOM   798  C CE1 . PHE   A 1 91  ? -36.847 -17.290 -27.971 1.00 14.31 ? 97  PHE   B CE1 1 
ATOM   799  C CE2 . PHE   A 1 91  ? -38.173 -16.834 -29.875 1.00 14.18 ? 97  PHE   B CE2 1 
ATOM   800  C CZ  . PHE   A 1 91  ? -37.201 -16.446 -28.987 1.00 14.95 ? 97  PHE   B CZ  1 
ATOM   801  N N   A SER   A 1 92  ? -39.218 -21.084 -25.533 0.25 16.48 ? 98  SER   B N   1 
ATOM   802  N N   B SER   A 1 92  ? -39.186 -21.104 -25.594 0.25 15.86 ? 98  SER   B N   1 
ATOM   803  C CA  A SER   A 1 92  ? -38.594 -20.926 -24.198 0.25 16.82 ? 98  SER   B CA  1 
ATOM   804  C CA  B SER   A 1 92  ? -38.538 -21.078 -24.263 0.25 15.96 ? 98  SER   B CA  1 
ATOM   805  C C   A SER   A 1 92  ? -37.078 -20.791 -24.350 0.25 15.31 ? 98  SER   B C   1 
ATOM   806  C C   B SER   A 1 92  ? -37.050 -20.744 -24.418 0.25 14.73 ? 98  SER   B C   1 
ATOM   807  O O   A SER   A 1 92  ? -36.480 -21.391 -25.266 0.25 15.35 ? 98  SER   B O   1 
ATOM   808  O O   B SER   A 1 92  ? -36.438 -21.133 -25.451 0.25 14.62 ? 98  SER   B O   1 
ATOM   809  C CB  A SER   A 1 92  ? -38.919 -22.050 -23.280 0.25 19.12 ? 98  SER   B CB  1 
ATOM   810  C CB  B SER   A 1 92  ? -38.723 -22.391 -23.567 0.25 16.93 ? 98  SER   B CB  1 
ATOM   811  O OG  A SER   A 1 92  ? -38.562 -23.274 -23.885 0.25 21.50 ? 98  SER   B OG  1 
ATOM   812  O OG  B SER   A 1 92  ? -40.102 -22.589 -23.268 0.25 18.76 ? 98  SER   B OG  1 
ATOM   813  N N   . LEU   A 1 93  ? -36.488 -20.034 -23.436 1.00 14.01 ? 99  LEU   B N   1 
ATOM   814  C CA  . LEU   A 1 93  ? -35.031 -19.854 -23.362 1.00 14.36 ? 99  LEU   B CA  1 
ATOM   815  C C   . LEU   A 1 93  ? -34.444 -21.062 -22.674 1.00 14.03 ? 99  LEU   B C   1 
ATOM   816  O O   . LEU   A 1 93  ? -34.560 -21.217 -21.454 1.00 15.71 ? 99  LEU   B O   1 
ATOM   817  C CB  . LEU   A 1 93  ? -34.687 -18.576 -22.609 1.00 14.40 ? 99  LEU   B CB  1 
ATOM   818  C CG  . LEU   A 1 93  ? -35.180 -17.290 -23.246 1.00 15.74 ? 99  LEU   B CG  1 
ATOM   819  C CD1 . LEU   A 1 93  ? -34.789 -16.108 -22.360 1.00 17.09 ? 99  LEU   B CD1 1 
ATOM   820  C CD2 . LEU   A 1 93  ? -34.645 -17.114 -24.656 1.00 17.36 ? 99  LEU   B CD2 1 
ATOM   821  N N   . SER   A 1 94  ? -33.757 -21.942 -23.411 1.00 13.25 ? 100 SER   B N   1 
ATOM   822  C CA  . SER   A 1 94  ? -33.156 -23.164 -22.862 1.00 13.23 ? 100 SER   B CA  1 
ATOM   823  C C   . SER   A 1 94  ? -31.939 -23.512 -23.700 1.00 11.31 ? 100 SER   B C   1 
ATOM   824  O O   . SER   A 1 94  ? -31.941 -23.209 -24.903 1.00 11.54 ? 100 SER   B O   1 
ATOM   825  C CB  . SER   A 1 94  ? -34.090 -24.365 -22.873 1.00 15.15 ? 100 SER   B CB  1 
ATOM   826  O OG  . SER   A 1 94  ? -34.439 -24.712 -24.200 1.00 18.27 ? 100 SER   B OG  1 
ATOM   827  N N   . PRO   A 1 95  ? -31.013 -24.309 -23.178 1.00 11.29 ? 101 PRO   B N   1 
ATOM   828  C CA  . PRO   A 1 95  ? -29.905 -24.785 -24.001 1.00 12.85 ? 101 PRO   B CA  1 
ATOM   829  C C   . PRO   A 1 95  ? -30.404 -25.681 -25.141 1.00 12.91 ? 101 PRO   B C   1 
ATOM   830  O O   . PRO   A 1 95  ? -29.819 -25.578 -26.263 1.00 13.25 ? 101 PRO   B O   1 
ATOM   831  C CB  . PRO   A 1 95  ? -29.000 -25.567 -23.018 1.00 13.24 ? 101 PRO   B CB  1 
ATOM   832  C CG  . PRO   A 1 95  ? -29.325 -24.891 -21.680 1.00 13.83 ? 101 PRO   B CG  1 
ATOM   833  C CD  . PRO   A 1 95  ? -30.799 -24.562 -21.755 1.00 13.46 ? 101 PRO   B CD  1 
ATOM   834  N N   . GLU   A 1 96  ? -31.484 -26.428 -24.952 1.00 13.78 ? 102 GLU   B N   1 
ATOM   835  C CA  . GLU   A 1 96  ? -32.033 -27.260 -26.061 1.00 16.50 ? 102 GLU   B CA  1 
ATOM   836  C C   . GLU   A 1 96  ? -32.441 -26.374 -27.244 1.00 15.93 ? 102 GLU   B C   1 
ATOM   837  O O   . GLU   A 1 96  ? -32.367 -26.804 -28.425 1.00 17.13 ? 102 GLU   B O   1 
ATOM   838  C CB  . GLU   A 1 96  ? -33.181 -28.105 -25.524 1.00 20.40 ? 102 GLU   B CB  1 
ATOM   839  C CG  . GLU   A 1 96  ? -32.771 -28.934 -24.324 1.00 30.54 ? 102 GLU   B CG  1 
ATOM   840  C CD  . GLU   A 1 96  ? -33.219 -28.378 -22.974 1.00 35.12 ? 102 GLU   B CD  1 
ATOM   841  O OE1 . GLU   A 1 96  ? -32.456 -27.549 -22.339 1.00 23.54 ? 102 GLU   B OE1 1 
ATOM   842  O OE2 . GLU   A 1 96  ? -34.336 -28.819 -22.534 1.00 44.66 ? 102 GLU   B OE2 1 
ATOM   843  N N   . ASN   A 1 97  ? -32.930 -25.154 -26.997 1.00 13.19 ? 103 ASN   B N   1 
ATOM   844  C CA  . ASN   A 1 97  ? -33.316 -24.200 -28.054 1.00 13.60 ? 103 ASN   B CA  1 
ATOM   845  C C   . ASN   A 1 97  ? -32.169 -23.269 -28.439 1.00 12.75 ? 103 ASN   B C   1 
ATOM   846  O O   . ASN   A 1 97  ? -32.359 -22.424 -29.317 1.00 13.78 ? 103 ASN   B O   1 
ATOM   847  C CB  . ASN   A 1 97  ? -34.541 -23.385 -27.609 1.00 14.71 ? 103 ASN   B CB  1 
ATOM   848  C CG  . ASN   A 1 97  ? -35.825 -24.166 -27.586 1.00 17.69 ? 103 ASN   B CG  1 
ATOM   849  O OD1 . ASN   A 1 97  ? -35.921 -25.237 -28.215 1.00 19.47 ? 103 ASN   B OD1 1 
ATOM   850  N ND2 . ASN   A 1 97  ? -36.804 -23.697 -26.822 1.00 18.36 ? 103 ASN   B ND2 1 
ATOM   851  N N   . GLY   A 1 98  ? -30.953 -23.478 -27.931 1.00 11.00 ? 104 GLY   B N   1 
ATOM   852  C CA  . GLY   A 1 98  ? -29.798 -22.676 -28.327 1.00 10.73 ? 104 GLY   B CA  1 
ATOM   853  C C   . GLY   A 1 98  ? -29.532 -21.398 -27.544 1.00 9.74  ? 104 GLY   B C   1 
ATOM   854  O O   . GLY   A 1 98  ? -28.870 -20.508 -28.052 1.00 10.32 ? 104 GLY   B O   1 
ATOM   855  N N   . PHE   A 1 99  ? -30.005 -21.349 -26.285 1.00 10.24 ? 105 PHE   B N   1 
ATOM   856  C CA  . PHE   A 1 99  ? -29.787 -20.176 -25.391 1.00 10.03 ? 105 PHE   B CA  1 
ATOM   857  C C   . PHE   A 1 99  ? -29.114 -20.550 -24.081 1.00 8.90  ? 105 PHE   B C   1 
ATOM   858  O O   . PHE   A 1 99  ? -29.564 -21.551 -23.471 1.00 10.85 ? 105 PHE   B O   1 
ATOM   859  C CB  . PHE   A 1 99  ? -31.137 -19.503 -25.063 1.00 10.78 ? 105 PHE   B CB  1 
ATOM   860  C CG  . PHE   A 1 99  ? -31.934 -19.000 -26.247 1.00 10.08 ? 105 PHE   B CG  1 
ATOM   861  C CD1 . PHE   A 1 99  ? -32.842 -19.811 -26.903 1.00 10.35 ? 105 PHE   B CD1 1 
ATOM   862  C CD2 . PHE   A 1 99  ? -31.790 -17.705 -26.693 1.00 10.54 ? 105 PHE   B CD2 1 
ATOM   863  C CE1 . PHE   A 1 99  ? -33.566 -19.341 -27.996 1.00 11.46 ? 105 PHE   B CE1 1 
ATOM   864  C CE2 . PHE   A 1 99  ? -32.509 -17.242 -27.777 1.00 11.74 ? 105 PHE   B CE2 1 
ATOM   865  C CZ  . PHE   A 1 99  ? -33.401 -18.060 -28.404 1.00 10.87 ? 105 PHE   B CZ  1 
ATOM   866  N N   . TRP   A 1 100 ? -28.169 -19.717 -23.660 1.00 8.65  ? 106 TRP   B N   1 
ATOM   867  C CA  . TRP   A 1 100 ? -27.480 -19.821 -22.342 1.00 8.86  ? 106 TRP   B CA  1 
ATOM   868  C C   . TRP   A 1 100 ? -27.644 -18.472 -21.669 1.00 8.49  ? 106 TRP   B C   1 
ATOM   869  O O   . TRP   A 1 100 ? -26.911 -17.526 -21.981 1.00 9.16  ? 106 TRP   B O   1 
ATOM   870  C CB  . TRP   A 1 100 ? -26.011 -20.262 -22.505 1.00 9.04  ? 106 TRP   B CB  1 
ATOM   871  C CG  . TRP   A 1 100 ? -25.926 -21.637 -23.105 1.00 9.30  ? 106 TRP   B CG  1 
ATOM   872  C CD1 . TRP   A 1 100 ? -25.835 -22.847 -22.475 1.00 10.89 ? 106 TRP   B CD1 1 
ATOM   873  C CD2 . TRP   A 1 100 ? -25.925 -21.944 -24.529 1.00 9.67  ? 106 TRP   B CD2 1 
ATOM   874  N NE1 . TRP   A 1 100 ? -25.878 -23.879 -23.398 1.00 10.84 ? 106 TRP   B NE1 1 
ATOM   875  C CE2 . TRP   A 1 100 ? -25.926 -23.349 -24.653 1.00 10.69 ? 106 TRP   B CE2 1 
ATOM   876  C CE3 . TRP   A 1 100 ? -25.996 -21.160 -25.691 1.00 9.98  ? 106 TRP   B CE3 1 
ATOM   877  C CZ2 . TRP   A 1 100 ? -25.966 -23.976 -25.915 1.00 11.96 ? 106 TRP   B CZ2 1 
ATOM   878  C CZ3 . TRP   A 1 100 ? -26.006 -21.797 -26.927 1.00 12.10 ? 106 TRP   B CZ3 1 
ATOM   879  C CH2 . TRP   A 1 100 ? -26.043 -23.168 -27.024 1.00 11.65 ? 106 TRP   B CH2 1 
ATOM   880  N N   . THR   A 1 101 ? -28.645 -18.383 -20.780 1.00 9.04  ? 107 THR   B N   1 
ATOM   881  C CA  . THR   A 1 101 ? -29.158 -17.074 -20.309 1.00 9.08  ? 107 THR   B CA  1 
ATOM   882  C C   . THR   A 1 101 ? -29.479 -17.152 -18.802 1.00 8.74  ? 107 THR   B C   1 
ATOM   883  O O   . THR   A 1 101 ? -29.773 -18.224 -18.249 1.00 9.35  ? 107 THR   B O   1 
ATOM   884  C CB  . THR   A 1 101 ? -30.415 -16.622 -21.062 1.00 9.59  ? 107 THR   B CB  1 
ATOM   885  O OG1 . THR   A 1 101 ? -31.458 -17.553 -20.852 1.00 10.81 ? 107 THR   B OG1 1 
ATOM   886  C CG2 . THR   A 1 101 ? -30.127 -16.418 -22.532 1.00 10.19 ? 107 THR   B CG2 1 
ATOM   887  N N   . ILE   A 1 102 ? -29.528 -15.963 -18.205 1.00 9.25  ? 108 ILE   B N   1 
ATOM   888  C CA  . ILE   A 1 102 ? -30.171 -15.739 -16.869 1.00 9.15  ? 108 ILE   B CA  1 
ATOM   889  C C   . ILE   A 1 102 ? -31.173 -14.601 -17.041 1.00 9.40  ? 108 ILE   B C   1 
ATOM   890  O O   . ILE   A 1 102 ? -31.107 -13.837 -18.046 1.00 9.75  ? 108 ILE   B O   1 
ATOM   891  C CB  . ILE   A 1 102 ? -29.157 -15.429 -15.743 1.00 9.56  ? 108 ILE   B CB  1 
ATOM   892  C CG1 . ILE   A 1 102 ? -28.459 -14.089 -15.935 1.00 10.37 ? 108 ILE   B CG1 1 
ATOM   893  C CG2 . ILE   A 1 102 ? -28.143 -16.563 -15.663 1.00 10.46 ? 108 ILE   B CG2 1 
ATOM   894  C CD1 . ILE   A 1 102 ? -27.639 -13.627 -14.754 1.00 11.21 ? 108 ILE   B CD1 1 
ATOM   895  N N   . TRP   A 1 103 ? -32.031 -14.468 -16.059 1.00 9.33  ? 109 TRP   B N   1 
ATOM   896  C CA  . TRP   A 1 103 ? -33.048 -13.408 -16.116 1.00 9.94  ? 109 TRP   B CA  1 
ATOM   897  C C   . TRP   A 1 103 ? -33.458 -12.958 -14.741 1.00 10.19 ? 109 TRP   B C   1 
ATOM   898  O O   . TRP   A 1 103 ? -33.293 -13.635 -13.709 1.00 10.40 ? 109 TRP   B O   1 
ATOM   899  C CB  . TRP   A 1 103 ? -34.244 -13.818 -16.915 1.00 12.11 ? 109 TRP   B CB  1 
ATOM   900  C CG  . TRP   A 1 103 ? -35.027 -14.959 -16.416 1.00 13.78 ? 109 TRP   B CG  1 
ATOM   901  C CD1 . TRP   A 1 103 ? -35.877 -14.972 -15.349 1.00 14.06 ? 109 TRP   B CD1 1 
ATOM   902  C CD2 . TRP   A 1 103 ? -35.131 -16.211 -17.062 1.00 14.58 ? 109 TRP   B CD2 1 
ATOM   903  N NE1 . TRP   A 1 103 ? -36.527 -16.171 -15.304 1.00 16.80 ? 109 TRP   B NE1 1 
ATOM   904  C CE2 . TRP   A 1 103 ? -36.107 -16.946 -16.354 1.00 15.23 ? 109 TRP   B CE2 1 
ATOM   905  C CE3 . TRP   A 1 103 ? -34.525 -16.760 -18.187 1.00 15.47 ? 109 TRP   B CE3 1 
ATOM   906  C CZ2 . TRP   A 1 103 ? -36.438 -18.254 -16.720 1.00 18.02 ? 109 TRP   B CZ2 1 
ATOM   907  C CZ3 . TRP   A 1 103 ? -34.898 -18.019 -18.566 1.00 17.36 ? 109 TRP   B CZ3 1 
ATOM   908  C CH2 . TRP   A 1 103 ? -35.828 -18.741 -17.853 1.00 16.78 ? 109 TRP   B CH2 1 
ATOM   909  N N   . LEU   A 1 104 ? -34.067 -11.755 -14.741 1.00 9.82  ? 110 LEU   B N   1 
ATOM   910  C CA  . LEU   A 1 104 ? -34.852 -11.207 -13.613 1.00 10.28 ? 110 LEU   B CA  1 
ATOM   911  C C   . LEU   A 1 104 ? -36.316 -11.164 -14.022 1.00 9.92  ? 110 LEU   B C   1 
ATOM   912  O O   . LEU   A 1 104 ? -36.609 -10.680 -15.122 1.00 10.11 ? 110 LEU   B O   1 
ATOM   913  C CB  . LEU   A 1 104 ? -34.388 -9.803  -13.311 1.00 10.49 ? 110 LEU   B CB  1 
ATOM   914  C CG  . LEU   A 1 104 ? -35.214 -9.014  -12.289 1.00 10.79 ? 110 LEU   B CG  1 
ATOM   915  C CD1 . LEU   A 1 104 ? -35.242 -9.671  -10.897 1.00 11.33 ? 110 LEU   B CD1 1 
ATOM   916  C CD2 . LEU   A 1 104 ? -34.746 -7.589  -12.207 1.00 12.91 ? 110 LEU   B CD2 1 
ATOM   917  N N   . TRP   A 1 105 ? -37.194 -11.608 -13.129 1.00 11.36 ? 111 TRP   B N   1 
ATOM   918  C CA  . TRP   A 1 105 ? -38.643 -11.583 -13.372 1.00 12.32 ? 111 TRP   B CA  1 
ATOM   919  C C   . TRP   A 1 105 ? -39.332 -11.626 -12.015 1.00 13.76 ? 111 TRP   B C   1 
ATOM   920  O O   . TRP   A 1 105 ? -39.027 -12.521 -11.214 1.00 14.33 ? 111 TRP   B O   1 
ATOM   921  C CB  . TRP   A 1 105 ? -39.018 -12.803 -14.195 1.00 15.74 ? 111 TRP   B CB  1 
ATOM   922  C CG  . TRP   A 1 105 ? -40.465 -13.049 -14.307 1.00 18.28 ? 111 TRP   B CG  1 
ATOM   923  C CD1 . TRP   A 1 105 ? -41.238 -14.058 -13.782 1.00 20.03 ? 111 TRP   B CD1 1 
ATOM   924  C CD2 . TRP   A 1 105 ? -41.319 -12.233 -15.102 1.00 18.38 ? 111 TRP   B CD2 1 
ATOM   925  N NE1 . TRP   A 1 105 ? -42.522 -13.892 -14.191 1.00 19.09 ? 111 TRP   B NE1 1 
ATOM   926  C CE2 . TRP   A 1 105 ? -42.601 -12.795 -15.011 1.00 17.08 ? 111 TRP   B CE2 1 
ATOM   927  C CE3 . TRP   A 1 105 ? -41.130 -11.125 -15.927 1.00 18.59 ? 111 TRP   B CE3 1 
ATOM   928  C CZ2 . TRP   A 1 105 ? -43.705 -12.256 -15.658 1.00 21.47 ? 111 TRP   B CZ2 1 
ATOM   929  C CZ3 . TRP   A 1 105 ? -42.230 -10.552 -16.529 1.00 22.83 ? 111 TRP   B CZ3 1 
ATOM   930  C CH2 . TRP   A 1 105 ? -43.502 -11.108 -16.394 1.00 21.45 ? 111 TRP   B CH2 1 
ATOM   931  N N   . GLN   A 1 106 ? -40.223 -10.652 -11.751 1.00 12.47 ? 112 GLN   B N   1 
ATOM   932  C CA  . GLN   A 1 106 ? -41.035 -10.678 -10.504 1.00 13.01 ? 112 GLN   B CA  1 
ATOM   933  C C   . GLN   A 1 106 ? -40.130 -10.859 -9.310  1.00 13.73 ? 112 GLN   B C   1 
ATOM   934  O O   . GLN   A 1 106 ? -40.484 -11.700 -8.403  1.00 16.36 ? 112 GLN   B O   1 
ATOM   935  C CB  . GLN   A 1 106 ? -42.129 -11.725 -10.631 1.00 14.72 ? 112 GLN   B CB  1 
ATOM   936  C CG  . GLN   A 1 106 ? -43.062 -11.411 -11.780 1.00 15.87 ? 112 GLN   B CG  1 
ATOM   937  C CD  . GLN   A 1 106 ? -44.335 -12.214 -11.840 1.00 18.00 ? 112 GLN   B CD  1 
ATOM   938  O OE1 . GLN   A 1 106 ? -45.280 -11.865 -12.579 1.00 21.48 ? 112 GLN   B OE1 1 
ATOM   939  N NE2 . GLN   A 1 106 ? -44.397 -13.279 -11.064 1.00 17.08 ? 112 GLN   B NE2 1 
ATOM   940  N N   . ASP   A 1 107 ? -39.109 -10.056 -9.193  1.00 14.82 ? 113 ASP   B N   1 
ATOM   941  C CA  . ASP   A 1 107 ? -38.298 -9.948  -7.978  1.00 19.51 ? 113 ASP   B CA  1 
ATOM   942  C C   . ASP   A 1 107 ? -37.509 -11.248 -7.707  1.00 19.74 ? 113 ASP   B C   1 
ATOM   943  O O   . ASP   A 1 107 ? -36.894 -11.305 -6.607  1.00 26.79 ? 113 ASP   B O   1 
ATOM   944  C CB  . ASP   A 1 107 ? -39.254 -9.623  -6.817  1.00 23.10 ? 113 ASP   B CB  1 
ATOM   945  C CG  . ASP   A 1 107 ? -38.592 -9.039  -5.617  1.00 31.46 ? 113 ASP   B CG  1 
ATOM   946  O OD1 . ASP   A 1 107 ? -37.635 -8.245  -5.778  1.00 35.45 ? 113 ASP   B OD1 1 
ATOM   947  O OD2 . ASP   A 1 107 ? -39.105 -9.348  -4.506  1.00 41.85 ? 113 ASP   B OD2 1 
ATOM   948  N N   . SER   A 1 108 ? -37.385 -12.172 -8.668  1.00 15.59 ? 114 SER   B N   1 
ATOM   949  C CA  . SER   A 1 108 ? -36.489 -13.358 -8.536  1.00 17.21 ? 114 SER   B CA  1 
ATOM   950  C C   . SER   A 1 108 ? -35.577 -13.470 -9.753  1.00 15.15 ? 114 SER   B C   1 
ATOM   951  O O   . SER   A 1 108 ? -35.952 -13.116 -10.911 1.00 14.74 ? 114 SER   B O   1 
ATOM   952  C CB  . SER   A 1 108 ? -37.274 -14.580 -8.180  1.00 21.65 ? 114 SER   B CB  1 
ATOM   953  O OG  . SER   A 1 108 ? -37.982 -15.110 -9.259  1.00 30.28 ? 114 SER   B OG  1 
ATOM   954  N N   . TYR   A 1 109 ? -34.383 -13.970 -9.520  1.00 12.72 ? 115 TYR   B N   1 
ATOM   955  C CA  . TYR   A 1 109 ? -33.381 -14.268 -10.572 1.00 11.84 ? 115 TYR   B CA  1 
ATOM   956  C C   . TYR   A 1 109 ? -33.354 -15.752 -10.827 1.00 11.32 ? 115 TYR   B C   1 
ATOM   957  O O   . TYR   A 1 109 ? -33.369 -16.550 -9.881  1.00 12.47 ? 115 TYR   B O   1 
ATOM   958  C CB  . TYR   A 1 109 ? -32.026 -13.738 -10.140 1.00 12.11 ? 115 TYR   B CB  1 
ATOM   959  C CG  . TYR   A 1 109 ? -31.958 -12.239 -9.895  1.00 12.35 ? 115 TYR   B CG  1 
ATOM   960  C CD1 . TYR   A 1 109 ? -32.189 -11.690 -8.639  1.00 13.02 ? 115 TYR   B CD1 1 
ATOM   961  C CD2 . TYR   A 1 109 ? -31.597 -11.370 -10.909 1.00 11.83 ? 115 TYR   B CD2 1 
ATOM   962  C CE1 . TYR   A 1 109 ? -32.077 -10.322 -8.422  1.00 13.75 ? 115 TYR   B CE1 1 
ATOM   963  C CE2 . TYR   A 1 109 ? -31.501 -9.996  -10.717 1.00 12.46 ? 115 TYR   B CE2 1 
ATOM   964  C CZ  . TYR   A 1 109 ? -31.752 -9.482  -9.460  1.00 12.60 ? 115 TYR   B CZ  1 
ATOM   965  O OH  . TYR   A 1 109 ? -31.725 -8.127  -9.216  1.00 14.12 ? 115 TYR   B OH  1 
ATOM   966  N N   A GLU   A 1 110 ? -33.324 -16.149 -12.105 0.25 10.96 ? 116 GLU   B N   1 
ATOM   967  N N   B GLU   A 1 110 ? -33.345 -16.135 -12.110 0.25 11.06 ? 116 GLU   B N   1 
ATOM   968  C CA  A GLU   A 1 110 ? -33.297 -17.584 -12.489 0.25 11.62 ? 116 GLU   B CA  1 
ATOM   969  C CA  B GLU   A 1 110 ? -33.338 -17.553 -12.554 0.25 11.74 ? 116 GLU   B CA  1 
ATOM   970  C C   A GLU   A 1 110 ? -32.392 -17.802 -13.703 0.25 10.49 ? 116 GLU   B C   1 
ATOM   971  C C   B GLU   A 1 110 ? -32.272 -17.739 -13.641 0.25 10.38 ? 116 GLU   B C   1 
ATOM   972  O O   A GLU   A 1 110 ? -32.316 -16.952 -14.581 0.25 10.61 ? 116 GLU   B O   1 
ATOM   973  O O   B GLU   A 1 110 ? -31.911 -16.765 -14.336 0.25 9.72  ? 116 GLU   B O   1 
ATOM   974  C CB  A GLU   A 1 110 ? -34.697 -18.100 -12.790 0.25 13.12 ? 116 GLU   B CB  1 
ATOM   975  C CB  B GLU   A 1 110 ? -34.706 -17.967 -13.086 0.25 13.64 ? 116 GLU   B CB  1 
ATOM   976  C CG  A GLU   A 1 110 ? -35.663 -17.973 -11.617 0.25 15.18 ? 116 GLU   B CG  1 
ATOM   977  C CG  B GLU   A 1 110 ? -35.840 -17.820 -12.076 0.25 16.13 ? 116 GLU   B CG  1 
ATOM   978  C CD  A GLU   A 1 110 ? -37.089 -18.347 -11.979 0.25 16.77 ? 116 GLU   B CD  1 
ATOM   979  C CD  B GLU   A 1 110 ? -35.977 -18.997 -11.120 0.25 18.01 ? 116 GLU   B CD  1 
ATOM   980  O OE1 A GLU   A 1 110 ? -37.516 -18.010 -13.093 0.25 18.16 ? 116 GLU   B OE1 1 
ATOM   981  O OE1 B GLU   A 1 110 ? -35.566 -20.113 -11.487 0.25 22.50 ? 116 GLU   B OE1 1 
ATOM   982  O OE2 A GLU   A 1 110 ? -37.772 -18.978 -11.152 0.25 17.12 ? 116 GLU   B OE2 1 
ATOM   983  O OE2 B GLU   A 1 110 ? -36.539 -18.808 -10.038 0.25 23.64 ? 116 GLU   B OE2 1 
ATOM   984  N N   . ALA   A 1 111 ? -31.749 -18.969 -13.750 1.00 10.53 ? 117 ALA   B N   1 
ATOM   985  C CA  . ALA   A 1 111 ? -31.004 -19.405 -14.938 1.00 10.61 ? 117 ALA   B CA  1 
ATOM   986  C C   . ALA   A 1 111 ? -31.947 -20.139 -15.867 1.00 10.64 ? 117 ALA   B C   1 
ATOM   987  O O   . ALA   A 1 111 ? -32.803 -20.951 -15.462 1.00 10.91 ? 117 ALA   B O   1 
ATOM   988  C CB  . ALA   A 1 111 ? -29.816 -20.281 -14.584 1.00 10.89 ? 117 ALA   B CB  1 
ATOM   989  N N   . GLY   A 1 112 ? -31.775 -19.875 -17.172 1.00 10.91 ? 118 GLY   B N   1 
ATOM   990  C CA  . GLY   A 1 112 ? -32.565 -20.467 -18.260 1.00 11.95 ? 118 GLY   B CA  1 
ATOM   991  C C   . GLY   A 1 112 ? -32.198 -21.892 -18.594 1.00 12.44 ? 118 GLY   B C   1 
ATOM   992  O O   . GLY   A 1 112 ? -31.928 -22.237 -19.732 1.00 14.25 ? 118 GLY   B O   1 
ATOM   993  N N   . THR   A 1 113 ? -32.171 -22.774 -17.616 1.00 14.31 ? 119 THR   B N   1 
ATOM   994  C CA  . THR   A 1 113 ? -32.192 -24.225 -17.819 1.00 14.95 ? 119 THR   B CA  1 
ATOM   995  C C   . THR   A 1 113 ? -33.625 -24.690 -18.077 1.00 15.40 ? 119 THR   B C   1 
ATOM   996  O O   . THR   A 1 113 ? -34.540 -23.913 -17.899 1.00 18.02 ? 119 THR   B O   1 
ATOM   997  C CB  . THR   A 1 113 ? -31.574 -24.867 -16.593 1.00 13.60 ? 119 THR   B CB  1 
ATOM   998  O OG1 . THR   A 1 113 ? -32.254 -24.415 -15.404 1.00 13.58 ? 119 THR   B OG1 1 
ATOM   999  C CG2 . THR   A 1 113 ? -30.119 -24.571 -16.419 1.00 14.56 ? 119 THR   B CG2 1 
ATOM   1000 N N   . SER   A 1 114 ? -33.825 -25.976 -18.391 1.00 18.70 ? 120 SER   B N   1 
ATOM   1001 C CA  . SER   A 1 114 ? -35.181 -26.528 -18.567 1.00 21.89 ? 120 SER   B CA  1 
ATOM   1002 C C   . SER   A 1 114 ? -35.370 -27.730 -17.640 1.00 24.05 ? 120 SER   B C   1 
ATOM   1003 O O   . SER   A 1 114 ? -34.714 -28.749 -17.808 1.00 26.06 ? 120 SER   B O   1 
ATOM   1004 C CB  . SER   A 1 114 ? -35.441 -26.874 -20.036 1.00 27.20 ? 120 SER   B CB  1 
ATOM   1005 O OG  . SER   A 1 114 ? -36.775 -27.359 -20.172 1.00 30.76 ? 120 SER   B OG  1 
ATOM   1006 N N   . PRO   A 1 115 ? -36.118 -27.595 -16.529 1.00 21.78 ? 121 PRO   B N   1 
ATOM   1007 C CA  . PRO   A 1 115 ? -36.789 -26.361 -16.135 1.00 21.88 ? 121 PRO   B CA  1 
ATOM   1008 C C   . PRO   A 1 115 ? -35.809 -25.359 -15.491 1.00 17.39 ? 121 PRO   B C   1 
ATOM   1009 O O   . PRO   A 1 115 ? -34.647 -25.681 -15.237 1.00 16.48 ? 121 PRO   B O   1 
ATOM   1010 C CB  . PRO   A 1 115 ? -37.815 -26.859 -15.117 1.00 24.87 ? 121 PRO   B CB  1 
ATOM   1011 C CG  . PRO   A 1 115 ? -37.102 -27.997 -14.428 1.00 25.03 ? 121 PRO   B CG  1 
ATOM   1012 C CD  . PRO   A 1 115 ? -36.255 -28.662 -15.504 1.00 24.27 ? 121 PRO   B CD  1 
ATOM   1013 N N   . GLN   A 1 116 ? -36.252 -24.130 -15.320 1.00 16.64 ? 122 GLN   B N   1 
ATOM   1014 C CA  . GLN   A 1 116 ? -35.399 -23.020 -14.829 1.00 15.37 ? 122 GLN   B CA  1 
ATOM   1015 C C   . GLN   A 1 116 ? -34.863 -23.299 -13.416 1.00 13.44 ? 122 GLN   B C   1 
ATOM   1016 O O   . GLN   A 1 116 ? -35.508 -24.020 -12.633 1.00 15.13 ? 122 GLN   B O   1 
ATOM   1017 C CB  . GLN   A 1 116 ? -36.100 -21.665 -14.926 1.00 19.72 ? 122 GLN   B CB  1 
ATOM   1018 C CG  . GLN   A 1 116 ? -37.186 -21.411 -13.905 1.00 27.23 ? 122 GLN   B CG  1 
ATOM   1019 C CD  . GLN   A 1 116 ? -38.567 -21.675 -14.450 1.00 38.29 ? 122 GLN   B CD  1 
ATOM   1020 O OE1 . GLN   A 1 116 ? -38.818 -22.646 -15.170 1.00 43.85 ? 122 GLN   B OE1 1 
ATOM   1021 N NE2 . GLN   A 1 116 ? -39.497 -20.825 -14.045 1.00 45.98 ? 122 GLN   B NE2 1 
ATOM   1022 N N   . THR   A 1 117 ? -33.731 -22.708 -13.120 1.00 12.10 ? 123 THR   B N   1 
ATOM   1023 C CA  . THR   A 1 117 ? -33.011 -22.885 -11.839 1.00 11.59 ? 123 THR   B CA  1 
ATOM   1024 C C   . THR   A 1 117 ? -33.036 -21.583 -11.052 1.00 12.11 ? 123 THR   B C   1 
ATOM   1025 O O   . THR   A 1 117 ? -32.571 -20.548 -11.546 1.00 12.85 ? 123 THR   B O   1 
ATOM   1026 C CB  . THR   A 1 117 ? -31.579 -23.370 -12.099 1.00 11.70 ? 123 THR   B CB  1 
ATOM   1027 O OG1 . THR   A 1 117 ? -31.647 -24.590 -12.826 1.00 13.10 ? 123 THR   B OG1 1 
ATOM   1028 C CG2 . THR   A 1 117 ? -30.813 -23.548 -10.812 1.00 12.45 ? 123 THR   B CG2 1 
ATOM   1029 N N   . THR   A 1 118 ? -33.417 -21.650 -9.775  1.00 12.22 ? 124 THR   B N   1 
ATOM   1030 C CA  . THR   A 1 118 ? -33.355 -20.519 -8.839  1.00 12.79 ? 124 THR   B CA  1 
ATOM   1031 C C   . THR   A 1 118 ? -31.934 -20.049 -8.598  1.00 11.97 ? 124 THR   B C   1 
ATOM   1032 O O   . THR   A 1 118 ? -31.017 -20.909 -8.353  1.00 14.42 ? 124 THR   B O   1 
ATOM   1033 C CB  . THR   A 1 118 ? -33.992 -20.964 -7.516  1.00 15.99 ? 124 THR   B CB  1 
ATOM   1034 O OG1 . THR   A 1 118 ? -35.351 -21.269 -7.790  1.00 18.70 ? 124 THR   B OG1 1 
ATOM   1035 C CG2 . THR   A 1 118 ? -33.820 -19.936 -6.423  1.00 19.59 ? 124 THR   B CG2 1 
ATOM   1036 N N   . LEU   A 1 119 ? -31.669 -18.766 -8.700  1.00 11.67 ? 125 LEU   B N   1 
ATOM   1037 C CA  . LEU   A 1 119 ? -30.379 -18.153 -8.390  1.00 11.63 ? 125 LEU   B CA  1 
ATOM   1038 C C   . LEU   A 1 119 ? -30.445 -17.577 -6.971  1.00 13.94 ? 125 LEU   B C   1 
ATOM   1039 O O   . LEU   A 1 119 ? -31.555 -17.289 -6.482  1.00 17.34 ? 125 LEU   B O   1 
ATOM   1040 C CB  . LEU   A 1 119 ? -29.964 -17.081 -9.412  1.00 11.68 ? 125 LEU   B CB  1 
ATOM   1041 C CG  . LEU   A 1 119 ? -29.875 -17.591 -10.852 1.00 11.02 ? 125 LEU   B CG  1 
ATOM   1042 C CD1 . LEU   A 1 119 ? -29.620 -16.465 -11.830 1.00 11.74 ? 125 LEU   B CD1 1 
ATOM   1043 C CD2 . LEU   A 1 119 ? -28.804 -18.662 -10.979 1.00 12.37 ? 125 LEU   B CD2 1 
ATOM   1044 N N   . HIS   A 1 120 ? -29.308 -17.475 -6.332  1.00 13.05 ? 126 HIS   B N   1 
ATOM   1045 C CA  . HIS   A 1 120 ? -29.179 -16.988 -4.934  1.00 13.29 ? 126 HIS   B CA  1 
ATOM   1046 C C   . HIS   A 1 120 ? -28.336 -15.731 -4.982  1.00 15.10 ? 126 HIS   B C   1 
ATOM   1047 O O   . HIS   A 1 120 ? -27.088 -15.806 -5.018  1.00 20.50 ? 126 HIS   B O   1 
ATOM   1048 C CB  . HIS   A 1 120 ? -28.540 -18.092 -4.067  1.00 14.64 ? 126 HIS   B CB  1 
ATOM   1049 C CG  . HIS   A 1 120 ? -29.310 -19.367 -4.042  1.00 15.78 ? 126 HIS   B CG  1 
ATOM   1050 N ND1 . HIS   A 1 120 ? -29.014 -20.431 -4.884  1.00 19.71 ? 126 HIS   B ND1 1 
ATOM   1051 C CD2 . HIS   A 1 120 ? -30.374 -19.749 -3.326  1.00 18.49 ? 126 HIS   B CD2 1 
ATOM   1052 C CE1 . HIS   A 1 120 ? -29.892 -21.402 -4.661  1.00 20.13 ? 126 HIS   B CE1 1 
ATOM   1053 N NE2 . HIS   A 1 120 ? -30.707 -21.032 -3.688  1.00 18.44 ? 126 HIS   B NE2 1 
ATOM   1054 N N   . ILE   A 1 121 ? -28.952 -14.576 -5.016  1.00 17.08 ? 127 ILE   B N   1 
ATOM   1055 C CA  . ILE   A 1 121 ? -28.224 -13.285 -5.125  1.00 20.26 ? 127 ILE   B CA  1 
ATOM   1056 C C   . ILE   A 1 121 ? -28.631 -12.426 -3.895  1.00 20.25 ? 127 ILE   B C   1 
ATOM   1057 O O   . ILE   A 1 121 ? -29.804 -12.198 -3.677  1.00 26.58 ? 127 ILE   B O   1 
ATOM   1058 C CB  . ILE   A 1 121 ? -28.540 -12.614 -6.485  1.00 22.04 ? 127 ILE   B CB  1 
ATOM   1059 C CG1 . ILE   A 1 121 ? -28.218 -13.522 -7.688  1.00 19.56 ? 127 ILE   B CG1 1 
ATOM   1060 C CG2 . ILE   A 1 121 ? -27.792 -11.289 -6.554  1.00 27.54 ? 127 ILE   B CG2 1 
ATOM   1061 C CD1 . ILE   A 1 121 ? -28.384 -12.884 -9.051  1.00 19.80 ? 127 ILE   B CD1 1 
ATOM   1062 N N   . GLN   A 1 122 ? -27.668 -12.087 -3.073  1.00 24.77 ? 128 GLN   B N   1 
ATOM   1063 C CA  . GLN   A 1 122 ? -27.923 -11.289 -1.837  1.00 27.05 ? 128 GLN   B CA  1 
ATOM   1064 C C   . GLN   A 1 122 ? -27.908 -9.799  -2.187  1.00 25.27 ? 128 GLN   B C   1 
ATOM   1065 O O   . GLN   A 1 122 ? -28.703 -9.032  -1.590  1.00 24.90 ? 128 GLN   B O   1 
ATOM   1066 C CB  . GLN   A 1 122 ? -26.840 -11.625 -0.805  1.00 29.20 ? 128 GLN   B CB  1 
ATOM   1067 C CG  . GLN   A 1 122 ? -26.960 -10.860 0.523   1.00 38.72 ? 128 GLN   B CG  1 
ATOM   1068 C CD  . GLN   A 1 122 ? -28.284 -11.017 1.248   1.00 42.69 ? 128 GLN   B CD  1 
ATOM   1069 O OE1 . GLN   A 1 122 ? -29.010 -12.000 1.092   1.00 48.71 ? 128 GLN   B OE1 1 
ATOM   1070 N NE2 . GLN   A 1 122 ? -28.621 -10.020 2.056   1.00 45.26 ? 128 GLN   B NE2 1 
ATOM   1071 N N   . VAL   A 1 123 ? -27.086 -9.408  -3.156  1.00 21.24 ? 129 VAL   B N   1 
ATOM   1072 C CA  . VAL   A 1 123 ? -26.925 -7.970  -3.568  1.00 19.34 ? 129 VAL   B CA  1 
ATOM   1073 C C   . VAL   A 1 123 ? -27.481 -7.790  -4.982  1.00 18.11 ? 129 VAL   B C   1 
ATOM   1074 O O   . VAL   A 1 123 ? -26.841 -8.282  -5.923  1.00 17.87 ? 129 VAL   B O   1 
ATOM   1075 C CB  . VAL   A 1 123 ? -25.454 -7.559  -3.511  1.00 20.75 ? 129 VAL   B CB  1 
ATOM   1076 C CG1 . VAL   A 1 123 ? -25.208 -6.133  -4.055  1.00 21.19 ? 129 VAL   B CG1 1 
ATOM   1077 C CG2 . VAL   A 1 123 ? -24.925 -7.685  -2.081  1.00 23.73 ? 129 VAL   B CG2 1 
ATOM   1078 N N   . PRO   A 1 124 ? -28.702 -7.245  -5.185  1.00 17.70 ? 130 PRO   B N   1 
ATOM   1079 C CA  . PRO   A 1 124 ? -29.266 -7.122  -6.534  1.00 17.59 ? 130 PRO   B CA  1 
ATOM   1080 C C   . PRO   A 1 124 ? -28.278 -6.434  -7.453  1.00 17.02 ? 130 PRO   B C   1 
ATOM   1081 O O   . PRO   A 1 124 ? -27.747 -5.380  -7.159  1.00 17.35 ? 130 PRO   B O   1 
ATOM   1082 C CB  . PRO   A 1 124 ? -30.520 -6.256  -6.284  1.00 21.22 ? 130 PRO   B CB  1 
ATOM   1083 C CG  . PRO   A 1 124 ? -30.937 -6.688  -4.875  1.00 20.99 ? 130 PRO   B CG  1 
ATOM   1084 C CD  . PRO   A 1 124 ? -29.646 -6.776  -4.137  1.00 20.60 ? 130 PRO   B CD  1 
ATOM   1085 N N   . PRO   A 1 125 ? -27.876 -7.054  -8.582  1.00 15.26 ? 131 PRO   B N   1 
ATOM   1086 C CA  . PRO   A 1 125 ? -26.873 -6.474  -9.453  1.00 14.59 ? 131 PRO   B CA  1 
ATOM   1087 C C   . PRO   A 1 125 ? -27.381 -5.264  -10.242 1.00 14.30 ? 131 PRO   B C   1 
ATOM   1088 O O   . PRO   A 1 125 ? -28.490 -5.297  -10.728 1.00 15.21 ? 131 PRO   B O   1 
ATOM   1089 C CB  . PRO   A 1 125 ? -26.477 -7.651  -10.374 1.00 15.32 ? 131 PRO   B CB  1 
ATOM   1090 C CG  . PRO   A 1 125 ? -27.617 -8.592  -10.284 1.00 17.45 ? 131 PRO   B CG  1 
ATOM   1091 C CD  . PRO   A 1 125 ? -28.226 -8.442  -8.925  1.00 15.73 ? 131 PRO   B CD  1 
ATOM   1092 N N   . CYS   A 1 126 ? -26.518 -4.258  -10.344 1.00 14.48 ? 132 CYS   B N   1 
ATOM   1093 C CA  . CYS   A 1 126 ? -26.718 -3.130  -11.294 1.00 14.92 ? 132 CYS   B CA  1 
ATOM   1094 C C   . CYS   A 1 126 ? -25.940 -3.377  -12.581 1.00 13.80 ? 132 CYS   B C   1 
ATOM   1095 O O   . CYS   A 1 126 ? -26.271 -2.796  -13.607 1.00 13.07 ? 132 CYS   B O   1 
ATOM   1096 C CB  . CYS   A 1 126 ? -26.316 -1.791  -10.701 1.00 17.70 ? 132 CYS   B CB  1 
ATOM   1097 S SG  . CYS   A 1 126 ? -27.334 -1.367  -9.248  1.00 25.24 ? 132 CYS   B SG  1 
ATOM   1098 N N   A GLN   A 1 127 ? -24.847 -4.165  -12.544 0.25 13.53 ? 133 GLN   B N   1 
ATOM   1099 N N   B GLN   A 1 127 ? -24.975 -4.299  -12.515 0.25 13.96 ? 133 GLN   B N   1 
ATOM   1100 C CA  A GLN   A 1 127 ? -24.106 -4.587  -13.772 0.25 13.67 ? 133 GLN   B CA  1 
ATOM   1101 C CA  B GLN   A 1 127 ? -24.102 -4.642  -13.659 0.25 14.80 ? 133 GLN   B CA  1 
ATOM   1102 C C   A GLN   A 1 127 ? -23.743 -6.075  -13.659 0.25 13.00 ? 133 GLN   B C   1 
ATOM   1103 C C   B GLN   A 1 127 ? -23.852 -6.152  -13.613 0.25 13.62 ? 133 GLN   B C   1 
ATOM   1104 O O   A GLN   A 1 127 ? -23.331 -6.526  -12.559 0.25 12.14 ? 133 GLN   B O   1 
ATOM   1105 O O   B GLN   A 1 127 ? -23.724 -6.728  -12.503 0.25 12.32 ? 133 GLN   B O   1 
ATOM   1106 C CB  A GLN   A 1 127 ? -22.817 -3.806  -14.076 0.25 14.95 ? 133 GLN   B CB  1 
ATOM   1107 C CB  B GLN   A 1 127 ? -22.825 -3.802  -13.632 0.25 17.58 ? 133 GLN   B CB  1 
ATOM   1108 C CG  A GLN   A 1 127 ? -22.994 -2.310  -14.301 0.25 15.88 ? 133 GLN   B CG  1 
ATOM   1109 C CG  B GLN   A 1 127 ? -23.086 -2.306  -13.697 0.25 19.26 ? 133 GLN   B CG  1 
ATOM   1110 C CD  A GLN   A 1 127 ? -22.921 -1.561  -12.995 0.25 17.63 ? 133 GLN   B CD  1 
ATOM   1111 C CD  B GLN   A 1 127 ? -21.849 -1.495  -13.989 0.25 21.41 ? 133 GLN   B CD  1 
ATOM   1112 O OE1 A GLN   A 1 127 ? -22.193 -1.955  -12.089 0.25 18.33 ? 133 GLN   B OE1 1 
ATOM   1113 O OE1 B GLN   A 1 127 ? -20.734 -2.003  -13.991 0.25 25.79 ? 133 GLN   B OE1 1 
ATOM   1114 N NE2 A GLN   A 1 127 ? -23.701 -0.494  -12.878 0.25 17.53 ? 133 GLN   B NE2 1 
ATOM   1115 N NE2 B GLN   A 1 127 ? -22.044 -0.217  -14.232 0.25 23.44 ? 133 GLN   B NE2 1 
ATOM   1116 N N   . ILE   A 1 128 ? -23.903 -6.775  -14.791 1.00 12.36 ? 134 ILE   B N   1 
ATOM   1117 C CA  . ILE   A 1 128 ? -23.722 -8.239  -14.950 1.00 12.06 ? 134 ILE   B CA  1 
ATOM   1118 C C   . ILE   A 1 128 ? -22.500 -8.403  -15.861 1.00 12.36 ? 134 ILE   B C   1 
ATOM   1119 O O   . ILE   A 1 128 ? -22.450 -7.821  -16.971 1.00 11.78 ? 134 ILE   B O   1 
ATOM   1120 C CB  . ILE   A 1 128 ? -24.972 -8.883  -15.566 1.00 13.34 ? 134 ILE   B CB  1 
ATOM   1121 C CG1 . ILE   A 1 128 ? -26.282 -8.729  -14.762 1.00 15.99 ? 134 ILE   B CG1 1 
ATOM   1122 C CG2 . ILE   A 1 128 ? -24.688 -10.363 -15.882 1.00 13.20 ? 134 ILE   B CG2 1 
ATOM   1123 C CD1 . ILE   A 1 128 ? -26.273 -9.453  -13.525 1.00 15.34 ? 134 ILE   B CD1 1 
ATOM   1124 N N   . GLY   A 1 129 ? -21.560 -9.286  -15.489 1.00 12.17 ? 135 GLY   B N   1 
ATOM   1125 C CA  . GLY   A 1 129 ? -20.471 -9.723  -16.377 1.00 11.82 ? 135 GLY   B CA  1 
ATOM   1126 C C   . GLY   A 1 129 ? -20.744 -11.094 -16.950 1.00 11.27 ? 135 GLY   B C   1 
ATOM   1127 O O   . GLY   A 1 129 ? -21.318 -11.954 -16.278 1.00 11.63 ? 135 GLY   B O   1 
ATOM   1128 N N   . ILE   A 1 130 ? -20.499 -11.241 -18.253 1.00 11.33 ? 136 ILE   B N   1 
ATOM   1129 C CA  . ILE   A 1 130 ? -20.771 -12.503 -18.995 1.00 10.93 ? 136 ILE   B CA  1 
ATOM   1130 C C   . ILE   A 1 130 ? -19.457 -12.986 -19.586 1.00 11.63 ? 136 ILE   B C   1 
ATOM   1131 O O   . ILE   A 1 130 ? -18.772 -12.226 -20.273 1.00 11.93 ? 136 ILE   B O   1 
ATOM   1132 C CB  . ILE   A 1 130 ? -21.818 -12.262 -20.100 1.00 12.31 ? 136 ILE   B CB  1 
ATOM   1133 C CG1 . ILE   A 1 130 ? -23.097 -11.728 -19.470 1.00 13.49 ? 136 ILE   B CG1 1 
ATOM   1134 C CG2 . ILE   A 1 130 ? -22.103 -13.547 -20.880 1.00 13.43 ? 136 ILE   B CG2 1 
ATOM   1135 C CD1 . ILE   A 1 130 ? -24.131 -11.358 -20.447 1.00 16.60 ? 136 ILE   B CD1 1 
ATOM   1136 N N   . PHE   A 1 131 ? -19.102 -14.211 -19.256 1.00 11.25 ? 137 PHE   B N   1 
ATOM   1137 C CA  . PHE   A 1 131 ? -17.849 -14.846 -19.713 1.00 10.90 ? 137 PHE   B CA  1 
ATOM   1138 C C   . PHE   A 1 131 ? -18.211 -16.083 -20.503 1.00 10.53 ? 137 PHE   B C   1 
ATOM   1139 O O   . PHE   A 1 131 ? -18.971 -16.945 -20.042 1.00 11.58 ? 137 PHE   B O   1 
ATOM   1140 C CB  . PHE   A 1 131 ? -16.989 -15.257 -18.529 1.00 12.29 ? 137 PHE   B CB  1 
ATOM   1141 C CG  . PHE   A 1 131 ? -15.727 -16.006 -18.898 1.00 13.39 ? 137 PHE   B CG  1 
ATOM   1142 C CD1 . PHE   A 1 131 ? -14.715 -15.381 -19.588 1.00 15.37 ? 137 PHE   B CD1 1 
ATOM   1143 C CD2 . PHE   A 1 131 ? -15.565 -17.329 -18.551 1.00 15.01 ? 137 PHE   B CD2 1 
ATOM   1144 C CE1 . PHE   A 1 131 ? -13.553 -16.083 -19.913 1.00 17.17 ? 137 PHE   B CE1 1 
ATOM   1145 C CE2 . PHE   A 1 131 ? -14.421 -18.046 -18.902 1.00 16.59 ? 137 PHE   B CE2 1 
ATOM   1146 C CZ  . PHE   A 1 131 ? -13.415 -17.406 -19.570 1.00 16.38 ? 137 PHE   B CZ  1 
ATOM   1147 N N   . VAL   A 1 132 ? -17.633 -16.213 -21.700 1.00 11.33 ? 138 VAL   B N   1 
ATOM   1148 C CA  . VAL   A 1 132 ? -17.794 -17.408 -22.578 1.00 11.74 ? 138 VAL   B CA  1 
ATOM   1149 C C   . VAL   A 1 132 ? -16.408 -18.000 -22.851 1.00 11.09 ? 138 VAL   B C   1 
ATOM   1150 O O   . VAL   A 1 132 ? -15.525 -17.288 -23.321 1.00 12.34 ? 138 VAL   B O   1 
ATOM   1151 C CB  . VAL   A 1 132 ? -18.530 -17.058 -23.883 1.00 11.86 ? 138 VAL   B CB  1 
ATOM   1152 C CG1 . VAL   A 1 132 ? -18.653 -18.293 -24.763 1.00 13.65 ? 138 VAL   B CG1 1 
ATOM   1153 C CG2 . VAL   A 1 132 ? -19.898 -16.413 -23.623 1.00 12.92 ? 138 VAL   B CG2 1 
ATOM   1154 N N   . ASP   A 1 133 ? -16.271 -19.286 -22.559 1.00 11.40 ? 139 ASP   B N   1 
ATOM   1155 C CA  . ASP   A 1 133 ? -15.074 -20.069 -22.995 1.00 12.82 ? 139 ASP   B CA  1 
ATOM   1156 C C   . ASP   A 1 133 ? -15.572 -21.086 -24.009 1.00 11.43 ? 139 ASP   B C   1 
ATOM   1157 O O   . ASP   A 1 133 ? -16.213 -22.087 -23.648 1.00 11.76 ? 139 ASP   B O   1 
ATOM   1158 C CB  . ASP   A 1 133 ? -14.325 -20.664 -21.826 1.00 13.39 ? 139 ASP   B CB  1 
ATOM   1159 C CG  . ASP   A 1 133 ? -13.066 -21.436 -22.189 1.00 16.32 ? 139 ASP   B CG  1 
ATOM   1160 O OD1 . ASP   A 1 133 ? -12.947 -21.877 -23.367 1.00 16.69 ? 139 ASP   B OD1 1 
ATOM   1161 O OD2 . ASP   A 1 133 ? -12.246 -21.562 -21.228 1.00 20.08 ? 139 ASP   B OD2 1 
ATOM   1162 N N   . TYR   A 1 134 ? -15.350 -20.787 -25.294 1.00 12.23 ? 140 TYR   B N   1 
ATOM   1163 C CA  . TYR   A 1 134 ? -15.935 -21.612 -26.368 1.00 12.39 ? 140 TYR   B CA  1 
ATOM   1164 C C   . TYR   A 1 134 ? -15.424 -23.057 -26.309 1.00 13.47 ? 140 TYR   B C   1 
ATOM   1165 O O   . TYR   A 1 134 ? -16.156 -24.005 -26.266 1.00 14.35 ? 140 TYR   B O   1 
ATOM   1166 C CB  . TYR   A 1 134 ? -15.667 -20.990 -27.753 1.00 12.43 ? 140 TYR   B CB  1 
ATOM   1167 C CG  . TYR   A 1 134 ? -16.599 -21.578 -28.804 1.00 12.83 ? 140 TYR   B CG  1 
ATOM   1168 C CD1 . TYR   A 1 134 ? -16.422 -22.854 -29.318 1.00 12.68 ? 140 TYR   B CD1 1 
ATOM   1169 C CD2 . TYR   A 1 134 ? -17.759 -20.918 -29.198 1.00 12.66 ? 140 TYR   B CD2 1 
ATOM   1170 C CE1 . TYR   A 1 134 ? -17.317 -23.434 -30.183 1.00 12.52 ? 140 TYR   B CE1 1 
ATOM   1171 C CE2 . TYR   A 1 134 ? -18.653 -21.480 -30.095 1.00 12.81 ? 140 TYR   B CE2 1 
ATOM   1172 C CZ  . TYR   A 1 134 ? -18.452 -22.744 -30.600 1.00 12.35 ? 140 TYR   B CZ  1 
ATOM   1173 O OH  . TYR   A 1 134 ? -19.334 -23.342 -31.448 1.00 13.01 ? 140 TYR   B OH  1 
ATOM   1174 N N   . GLU   A 1 135 ? -14.121 -23.177 -26.193 1.00 15.26 ? 141 GLU   B N   1 
ATOM   1175 C CA  . GLU   A 1 135 ? -13.466 -24.515 -26.232 1.00 16.09 ? 141 GLU   B CA  1 
ATOM   1176 C C   . GLU   A 1 135 ? -13.884 -25.341 -25.031 1.00 15.28 ? 141 GLU   B C   1 
ATOM   1177 O O   . GLU   A 1 135 ? -14.207 -26.536 -25.206 1.00 18.37 ? 141 GLU   B O   1 
ATOM   1178 C CB  . GLU   A 1 135 ? -11.953 -24.387 -26.328 1.00 18.53 ? 141 GLU   B CB  1 
ATOM   1179 C CG  . GLU   A 1 135 ? -11.519 -24.196 -27.784 1.00 25.38 ? 141 GLU   B CG  1 
ATOM   1180 C CD  . GLU   A 1 135 ? -11.898 -22.885 -28.377 1.00 29.53 ? 141 GLU   B CD  1 
ATOM   1181 O OE1 . GLU   A 1 135 ? -12.169 -22.868 -29.529 1.00 24.96 ? 141 GLU   B OE1 1 
ATOM   1182 O OE2 . GLU   A 1 135 ? -11.925 -21.873 -27.638 1.00 33.04 ? 141 GLU   B OE2 1 
ATOM   1183 N N   . ALA   A 1 136 ? -13.961 -24.737 -23.844 1.00 14.26 ? 142 ALA   B N   1 
ATOM   1184 C CA  . ALA   A 1 136 ? -14.332 -25.450 -22.623 1.00 15.17 ? 142 ALA   B CA  1 
ATOM   1185 C C   . ALA   A 1 136 ? -15.839 -25.742 -22.554 1.00 15.17 ? 142 ALA   B C   1 
ATOM   1186 O O   . ALA   A 1 136 ? -16.245 -26.589 -21.740 1.00 17.38 ? 142 ALA   B O   1 
ATOM   1187 C CB  . ALA   A 1 136 ? -13.914 -24.655 -21.402 1.00 16.86 ? 142 ALA   B CB  1 
ATOM   1188 N N   . GLY   A 1 137 ? -16.686 -25.072 -23.341 1.00 12.48 ? 143 GLY   B N   1 
ATOM   1189 C CA  . GLY   A 1 137 ? -18.134 -25.203 -23.242 1.00 12.11 ? 143 GLY   B CA  1 
ATOM   1190 C C   . GLY   A 1 137 ? -18.687 -24.591 -21.939 1.00 11.03 ? 143 GLY   B C   1 
ATOM   1191 O O   . GLY   A 1 137 ? -19.464 -25.277 -21.281 1.00 12.38 ? 143 GLY   B O   1 
ATOM   1192 N N   . VAL   A 1 138 ? -18.268 -23.370 -21.648 1.00 11.67 ? 144 VAL   B N   1 
ATOM   1193 C CA  . VAL   A 1 138 ? -18.668 -22.680 -20.382 1.00 11.94 ? 144 VAL   B CA  1 
ATOM   1194 C C   . VAL   A 1 138 ? -19.267 -21.320 -20.717 1.00 11.31 ? 144 VAL   B C   1 
ATOM   1195 O O   . VAL   A 1 138 ? -18.683 -20.530 -21.482 1.00 11.76 ? 144 VAL   B O   1 
ATOM   1196 C CB  . VAL   A 1 138 ? -17.429 -22.518 -19.489 1.00 13.00 ? 144 VAL   B CB  1 
ATOM   1197 C CG1 . VAL   A 1 138 ? -17.696 -21.530 -18.347 1.00 13.83 ? 144 VAL   B CG1 1 
ATOM   1198 C CG2 . VAL   A 1 138 ? -16.980 -23.896 -18.998 1.00 14.12 ? 144 VAL   B CG2 1 
ATOM   1199 N N   . VAL   A 1 139 ? -20.359 -21.000 -20.022 1.00 10.71 ? 145 VAL   B N   1 
ATOM   1200 C CA  . VAL   A 1 139 ? -20.906 -19.612 -19.969 1.00 10.38 ? 145 VAL   B CA  1 
ATOM   1201 C C   . VAL   A 1 139 ? -21.098 -19.266 -18.479 1.00 9.72  ? 145 VAL   B C   1 
ATOM   1202 O O   . VAL   A 1 139 ? -21.879 -20.000 -17.822 1.00 10.87 ? 145 VAL   B O   1 
ATOM   1203 C CB  . VAL   A 1 139 ? -22.237 -19.499 -20.736 1.00 10.07 ? 145 VAL   B CB  1 
ATOM   1204 C CG1 . VAL   A 1 139 ? -22.720 -18.050 -20.707 1.00 10.50 ? 145 VAL   B CG1 1 
ATOM   1205 C CG2 . VAL   A 1 139 ? -22.100 -20.013 -22.161 1.00 10.55 ? 145 VAL   B CG2 1 
ATOM   1206 N N   . SER   A 1 140 ? -20.470 -18.209 -18.008 1.00 9.53  ? 146 SER   B N   1 
ATOM   1207 C CA  . SER   A 1 140 ? -20.568 -17.820 -16.586 1.00 10.42 ? 146 SER   B CA  1 
ATOM   1208 C C   . SER   A 1 140 ? -21.039 -16.375 -16.484 1.00 10.17 ? 146 SER   B C   1 
ATOM   1209 O O   . SER   A 1 140 ? -20.741 -15.542 -17.312 1.00 11.17 ? 146 SER   B O   1 
ATOM   1210 C CB  . SER   A 1 140 ? -19.238 -18.003 -15.879 1.00 10.62 ? 146 SER   B CB  1 
ATOM   1211 O OG  . SER   A 1 140 ? -18.907 -19.389 -15.775 1.00 12.32 ? 146 SER   B OG  1 
ATOM   1212 N N   . PHE   A 1 141 ? -21.724 -16.106 -15.385 1.00 9.54  ? 147 PHE   B N   1 
ATOM   1213 C CA  . PHE   A 1 141 ? -22.354 -14.813 -15.075 1.00 9.87  ? 147 PHE   B CA  1 
ATOM   1214 C C   . PHE   A 1 141 ? -21.831 -14.355 -13.717 1.00 9.47  ? 147 PHE   B C   1 
ATOM   1215 O O   . PHE   A 1 141 ? -21.833 -15.132 -12.730 1.00 10.52 ? 147 PHE   B O   1 
ATOM   1216 C CB  . PHE   A 1 141 ? -23.893 -14.895 -15.060 1.00 10.06 ? 147 PHE   B CB  1 
ATOM   1217 C CG  . PHE   A 1 141 ? -24.464 -15.297 -16.396 1.00 10.03 ? 147 PHE   B CG  1 
ATOM   1218 C CD1 . PHE   A 1 141 ? -24.546 -16.649 -16.767 1.00 9.90  ? 147 PHE   B CD1 1 
ATOM   1219 C CD2 . PHE   A 1 141 ? -24.987 -14.333 -17.248 1.00 10.26 ? 147 PHE   B CD2 1 
ATOM   1220 C CE1 . PHE   A 1 141 ? -25.031 -16.994 -18.029 1.00 10.66 ? 147 PHE   B CE1 1 
ATOM   1221 C CE2 . PHE   A 1 141 ? -25.486 -14.699 -18.500 1.00 10.02 ? 147 PHE   B CE2 1 
ATOM   1222 C CZ  . PHE   A 1 141 ? -25.552 -16.033 -18.870 1.00 9.93  ? 147 PHE   B CZ  1 
ATOM   1223 N N   . TYR   A 1 142 ? -21.486 -13.072 -13.648 1.00 10.06 ? 148 TYR   B N   1 
ATOM   1224 C CA  . TYR   A 1 142 ? -20.842 -12.458 -12.466 1.00 11.66 ? 148 TYR   B CA  1 
ATOM   1225 C C   . TYR   A 1 142 ? -21.615 -11.213 -12.052 1.00 12.16 ? 148 TYR   B C   1 
ATOM   1226 O O   . TYR   A 1 142 ? -22.083 -10.400 -12.847 1.00 12.25 ? 148 TYR   B O   1 
ATOM   1227 C CB  . TYR   A 1 142 ? -19.377 -12.142 -12.736 1.00 12.53 ? 148 TYR   B CB  1 
ATOM   1228 C CG  . TYR   A 1 142 ? -18.567 -13.384 -13.015 1.00 13.26 ? 148 TYR   B CG  1 
ATOM   1229 C CD1 . TYR   A 1 142 ? -18.075 -14.172 -11.994 1.00 13.28 ? 148 TYR   B CD1 1 
ATOM   1230 C CD2 . TYR   A 1 142 ? -18.379 -13.847 -14.305 1.00 13.40 ? 148 TYR   B CD2 1 
ATOM   1231 C CE1 . TYR   A 1 142 ? -17.382 -15.352 -12.252 1.00 13.82 ? 148 TYR   B CE1 1 
ATOM   1232 C CE2 . TYR   A 1 142 ? -17.682 -15.014 -14.585 1.00 13.90 ? 148 TYR   B CE2 1 
ATOM   1233 C CZ  . TYR   A 1 142 ? -17.156 -15.763 -13.549 1.00 14.08 ? 148 TYR   B CZ  1 
ATOM   1234 O OH  . TYR   A 1 142 ? -16.503 -16.953 -13.806 1.00 16.25 ? 148 TYR   B OH  1 
ATOM   1235 N N   . ASN   A 1 143 ? -21.641 -10.982 -10.740 1.00 13.15 ? 149 ASN   B N   1 
ATOM   1236 C CA  . ASN   A 1 143 ? -22.341 -9.827  -10.101 1.00 13.18 ? 149 ASN   B CA  1 
ATOM   1237 C C   . ASN   A 1 143 ? -21.313 -8.706  -9.920  1.00 12.92 ? 149 ASN   B C   1 
ATOM   1238 O O   . ASN   A 1 143 ? -20.536 -8.739  -8.914  1.00 14.91 ? 149 ASN   B O   1 
ATOM   1239 C CB  . ASN   A 1 143 ? -22.966 -10.265 -8.775  1.00 13.08 ? 149 ASN   B CB  1 
ATOM   1240 C CG  . ASN   A 1 143 ? -23.798 -9.174  -8.123  1.00 13.75 ? 149 ASN   B CG  1 
ATOM   1241 O OD1 . ASN   A 1 143 ? -23.601 -8.003  -8.478  1.00 15.42 ? 149 ASN   B OD1 1 
ATOM   1242 N ND2 . ASN   A 1 143 ? -24.690 -9.559  -7.261  1.00 14.99 ? 149 ASN   B ND2 1 
ATOM   1243 N N   . ILE   A 1 144 ? -21.248 -7.715  -10.800 1.00 14.05 ? 150 ILE   B N   1 
ATOM   1244 C CA  . ILE   A 1 144 ? -20.184 -6.688  -10.751 1.00 15.38 ? 150 ILE   B CA  1 
ATOM   1245 C C   . ILE   A 1 144 ? -20.425 -5.814  -9.506  1.00 16.97 ? 150 ILE   B C   1 
ATOM   1246 O O   . ILE   A 1 144 ? -19.424 -5.358  -8.912  1.00 19.58 ? 150 ILE   B O   1 
ATOM   1247 C CB  . ILE   A 1 144 ? -20.171 -5.896  -12.063 1.00 16.38 ? 150 ILE   B CB  1 
ATOM   1248 C CG1 . ILE   A 1 144 ? -19.973 -6.794  -13.298 1.00 17.67 ? 150 ILE   B CG1 1 
ATOM   1249 C CG2 . ILE   A 1 144 ? -19.164 -4.751  -12.035 1.00 18.33 ? 150 ILE   B CG2 1 
ATOM   1250 C CD1 . ILE   A 1 144 ? -18.898 -7.813  -13.147 1.00 21.45 ? 150 ILE   B CD1 1 
ATOM   1251 N N   . THR   A 1 145 ? -21.669 -5.602  -9.117  1.00 16.75 ? 151 THR   B N   1 
ATOM   1252 C CA  . THR   A 1 145 ? -22.055 -4.749  -7.942  1.00 17.99 ? 151 THR   B CA  1 
ATOM   1253 C C   . THR   A 1 145 ? -21.492 -5.396  -6.674  1.00 21.36 ? 151 THR   B C   1 
ATOM   1254 O O   . THR   A 1 145 ? -21.061 -4.643  -5.770  1.00 24.97 ? 151 THR   B O   1 
ATOM   1255 C CB  . THR   A 1 145 ? -23.581 -4.596  -7.894  1.00 17.16 ? 151 THR   B CB  1 
ATOM   1256 O OG1 . THR   A 1 145 ? -24.017 -4.156  -9.177  1.00 17.40 ? 151 THR   B OG1 1 
ATOM   1257 C CG2 . THR   A 1 145 ? -24.004 -3.613  -6.815  1.00 19.49 ? 151 THR   B CG2 1 
ATOM   1258 N N   . ASP   A 1 146 ? -21.416 -6.721  -6.601  1.00 19.20 ? 152 ASP   B N   1 
ATOM   1259 C CA  . ASP   A 1 146 ? -20.909 -7.492  -5.431  1.00 19.58 ? 152 ASP   B CA  1 
ATOM   1260 C C   . ASP   A 1 146 ? -19.486 -8.013  -5.692  1.00 20.01 ? 152 ASP   B C   1 
ATOM   1261 O O   . ASP   A 1 146 ? -19.268 -9.216  -5.534  1.00 20.34 ? 152 ASP   B O   1 
ATOM   1262 C CB  . ASP   A 1 146 ? -21.929 -8.526  -5.048  1.00 19.21 ? 152 ASP   B CB  1 
ATOM   1263 C CG  . ASP   A 1 146 ? -21.544 -9.317  -3.819  1.00 24.85 ? 152 ASP   B CG  1 
ATOM   1264 O OD1 . ASP   A 1 146 ? -21.051 -8.689  -2.846  1.00 24.33 ? 152 ASP   B OD1 1 
ATOM   1265 O OD2 . ASP   A 1 146 ? -21.707 -10.537 -3.874  1.00 24.42 ? 152 ASP   B OD2 1 
ATOM   1266 N N   . HIS   A 1 147 ? -18.561 -7.156  -6.101  1.00 22.80 ? 153 HIS   B N   1 
ATOM   1267 C CA  . HIS   A 1 147 ? -17.111 -7.484  -6.229  1.00 27.39 ? 153 HIS   B CA  1 
ATOM   1268 C C   . HIS   A 1 147 ? -16.935 -8.688  -7.169  1.00 25.61 ? 153 HIS   B C   1 
ATOM   1269 O O   . HIS   A 1 147 ? -16.022 -9.499  -6.984  1.00 26.61 ? 153 HIS   B O   1 
ATOM   1270 C CB  . HIS   A 1 147 ? -16.434 -7.842  -4.883  1.00 33.45 ? 153 HIS   B CB  1 
ATOM   1271 C CG  . HIS   A 1 147 ? -16.768 -7.020  -3.673  1.00 41.59 ? 153 HIS   B CG  1 
ATOM   1272 N ND1 . HIS   A 1 147 ? -16.115 -5.831  -3.377  1.00 47.85 ? 153 HIS   B ND1 1 
ATOM   1273 C CD2 . HIS   A 1 147 ? -17.601 -7.262  -2.632  1.00 45.92 ? 153 HIS   B CD2 1 
ATOM   1274 C CE1 . HIS   A 1 147 ? -16.579 -5.346  -2.237  1.00 51.66 ? 153 HIS   B CE1 1 
ATOM   1275 N NE2 . HIS   A 1 147 ? -17.494 -6.206  -1.756  1.00 48.19 ? 153 HIS   B NE2 1 
ATOM   1276 N N   . GLY   A 1 148 ? -17.793 -8.837  -8.167  1.00 20.29 ? 154 GLY   B N   1 
ATOM   1277 C CA  . GLY   A 1 148 ? -17.553 -9.873  -9.188  1.00 17.29 ? 154 GLY   B CA  1 
ATOM   1278 C C   . GLY   A 1 148 ? -17.990 -11.257 -8.755  1.00 16.68 ? 154 GLY   B C   1 
ATOM   1279 O O   . GLY   A 1 148 ? -17.483 -12.185 -9.341  1.00 16.88 ? 154 GLY   B O   1 
ATOM   1280 N N   . SER   A 1 149 ? -18.814 -11.418 -7.747  1.00 15.39 ? 155 SER   B N   1 
ATOM   1281 C CA  . SER   A 1 149 ? -19.181 -12.749 -7.222  1.00 13.61 ? 155 SER   B CA  1 
ATOM   1282 C C   . SER   A 1 149 ? -19.881 -13.580 -8.299  1.00 13.97 ? 155 SER   B C   1 
ATOM   1283 O O   . SER   A 1 149 ? -20.670 -13.045 -9.118  1.00 13.18 ? 155 SER   B O   1 
ATOM   1284 C CB  . SER   A 1 149 ? -20.033 -12.659 -5.980  1.00 15.05 ? 155 SER   B CB  1 
ATOM   1285 O OG  . SER   A 1 149 ? -21.205 -11.879 -6.163  1.00 16.17 ? 155 SER   B OG  1 
ATOM   1286 N N   . LEU   A 1 150 ? -19.669 -14.871 -8.292  1.00 12.68 ? 156 LEU   B N   1 
ATOM   1287 C CA  . LEU   A 1 150 ? -20.333 -15.761 -9.283  1.00 11.81 ? 156 LEU   B CA  1 
ATOM   1288 C C   . LEU   A 1 150 ? -21.830 -15.806 -9.040  1.00 11.59 ? 156 LEU   B C   1 
ATOM   1289 O O   . LEU   A 1 150 ? -22.328 -16.030 -7.908  1.00 12.21 ? 156 LEU   B O   1 
ATOM   1290 C CB  . LEU   A 1 150 ? -19.747 -17.167 -9.146  1.00 12.44 ? 156 LEU   B CB  1 
ATOM   1291 C CG  . LEU   A 1 150 ? -20.295 -18.231 -10.102 1.00 12.08 ? 156 LEU   B CG  1 
ATOM   1292 C CD1 . LEU   A 1 150 ? -19.945 -17.954 -11.547 1.00 12.58 ? 156 LEU   B CD1 1 
ATOM   1293 C CD2 . LEU   A 1 150 ? -19.735 -19.624 -9.713  1.00 13.37 ? 156 LEU   B CD2 1 
ATOM   1294 N N   . ILE   A 1 151 ? -22.589 -15.703 -10.133 1.00 10.90 ? 157 ILE   B N   1 
ATOM   1295 C CA  . ILE   A 1 151 ? -24.034 -15.910 -10.150 1.00 10.97 ? 157 ILE   B CA  1 
ATOM   1296 C C   . ILE   A 1 151 ? -24.380 -17.319 -10.618 1.00 10.17 ? 157 ILE   B C   1 
ATOM   1297 O O   . ILE   A 1 151 ? -25.190 -18.015 -10.032 1.00 10.47 ? 157 ILE   B O   1 
ATOM   1298 C CB  . ILE   A 1 151 ? -24.704 -14.827 -11.029 1.00 11.57 ? 157 ILE   B CB  1 
ATOM   1299 C CG1 . ILE   A 1 151 ? -24.522 -13.436 -10.433 1.00 12.14 ? 157 ILE   B CG1 1 
ATOM   1300 C CG2 . ILE   A 1 151 ? -26.180 -15.154 -11.217 1.00 11.13 ? 157 ILE   B CG2 1 
ATOM   1301 C CD1 . ILE   A 1 151 ? -25.005 -12.316 -11.350 1.00 12.69 ? 157 ILE   B CD1 1 
ATOM   1302 N N   . TYR   A 1 152 ? -23.830 -17.729 -11.766 1.00 10.37 ? 158 TYR   B N   1 
ATOM   1303 C CA  . TYR   A 1 152 ? -24.226 -19.026 -12.352 1.00 9.48  ? 158 TYR   B CA  1 
ATOM   1304 C C   . TYR   A 1 152 ? -23.184 -19.432 -13.415 1.00 9.43  ? 158 TYR   B C   1 
ATOM   1305 O O   . TYR   A 1 152 ? -22.674 -18.562 -14.145 1.00 10.29 ? 158 TYR   B O   1 
ATOM   1306 C CB  . TYR   A 1 152 ? -25.596 -18.954 -13.092 1.00 9.68  ? 158 TYR   B CB  1 
ATOM   1307 C CG  . TYR   A 1 152 ? -26.153 -20.296 -13.440 1.00 9.61  ? 158 TYR   B CG  1 
ATOM   1308 C CD1 . TYR   A 1 152 ? -26.787 -21.086 -12.492 1.00 10.20 ? 158 TYR   B CD1 1 
ATOM   1309 C CD2 . TYR   A 1 152 ? -26.028 -20.824 -14.734 1.00 9.45  ? 158 TYR   B CD2 1 
ATOM   1310 C CE1 . TYR   A 1 152 ? -27.245 -22.349 -12.800 1.00 10.82 ? 158 TYR   B CE1 1 
ATOM   1311 C CE2 . TYR   A 1 152 ? -26.462 -22.085 -15.038 1.00 10.42 ? 158 TYR   B CE2 1 
ATOM   1312 C CZ  . TYR   A 1 152 ? -27.056 -22.857 -14.073 1.00 10.74 ? 158 TYR   B CZ  1 
ATOM   1313 O OH  . TYR   A 1 152 ? -27.456 -24.135 -14.360 1.00 13.31 ? 158 TYR   B OH  1 
ATOM   1314 N N   . THR   A 1 153 ? -22.905 -20.736 -13.516 1.00 9.92  ? 159 THR   B N   1 
ATOM   1315 C CA  . THR   A 1 153 ? -22.081 -21.341 -14.598 1.00 10.09 ? 159 THR   B CA  1 
ATOM   1316 C C   . THR   A 1 153 ? -22.852 -22.450 -15.265 1.00 9.96  ? 159 THR   B C   1 
ATOM   1317 O O   . THR   A 1 153 ? -23.223 -23.431 -14.659 1.00 10.93 ? 159 THR   B O   1 
ATOM   1318 C CB  . THR   A 1 153 ? -20.751 -21.888 -14.031 1.00 10.84 ? 159 THR   B CB  1 
ATOM   1319 O OG1 . THR   A 1 153 ? -19.971 -20.770 -13.608 1.00 11.39 ? 159 THR   B OG1 1 
ATOM   1320 C CG2 . THR   A 1 153 ? -19.999 -22.697 -15.077 1.00 12.58 ? 159 THR   B CG2 1 
ATOM   1321 N N   . PHE   A 1 154 ? -23.056 -22.278 -16.587 1.00 10.19 ? 160 PHE   B N   1 
ATOM   1322 C CA  . PHE   A 1 154 ? -23.445 -23.377 -17.504 1.00 10.08 ? 160 PHE   B CA  1 
ATOM   1323 C C   . PHE   A 1 154 ? -22.139 -24.060 -17.936 1.00 10.91 ? 160 PHE   B C   1 
ATOM   1324 O O   . PHE   A 1 154 ? -21.277 -23.398 -18.483 1.00 11.14 ? 160 PHE   B O   1 
ATOM   1325 C CB  . PHE   A 1 154 ? -24.129 -22.871 -18.777 1.00 10.75 ? 160 PHE   B CB  1 
ATOM   1326 C CG  . PHE   A 1 154 ? -25.491 -22.238 -18.607 1.00 8.87  ? 160 PHE   B CG  1 
ATOM   1327 C CD1 . PHE   A 1 154 ? -25.644 -20.879 -18.358 1.00 9.17  ? 160 PHE   B CD1 1 
ATOM   1328 C CD2 . PHE   A 1 154 ? -26.607 -23.004 -18.802 1.00 9.55  ? 160 PHE   B CD2 1 
ATOM   1329 C CE1 . PHE   A 1 154 ? -26.914 -20.330 -18.264 1.00 9.45  ? 160 PHE   B CE1 1 
ATOM   1330 C CE2 . PHE   A 1 154 ? -27.886 -22.457 -18.712 1.00 9.70  ? 160 PHE   B CE2 1 
ATOM   1331 C CZ  . PHE   A 1 154 ? -28.013 -21.112 -18.452 1.00 8.96  ? 160 PHE   B CZ  1 
ATOM   1332 N N   . SER   A 1 155 ? -22.048 -25.358 -17.644 1.00 12.23 ? 161 SER   B N   1 
ATOM   1333 C CA  . SER   A 1 155 ? -20.903 -26.138 -18.123 1.00 13.23 ? 161 SER   B CA  1 
ATOM   1334 C C   . SER   A 1 155 ? -21.404 -27.282 -18.988 1.00 12.81 ? 161 SER   B C   1 
ATOM   1335 O O   . SER   A 1 155 ? -22.613 -27.554 -19.081 1.00 15.35 ? 161 SER   B O   1 
ATOM   1336 C CB  . SER   A 1 155 ? -20.074 -26.558 -16.925 1.00 14.89 ? 161 SER   B CB  1 
ATOM   1337 O OG  . SER   A 1 155 ? -20.745 -27.519 -16.162 1.00 19.35 ? 161 SER   B OG  1 
ATOM   1338 N N   . GLU   A 1 156 ? -20.450 -27.942 -19.671 1.00 15.62 ? 162 GLU   B N   1 
ATOM   1339 C CA  . GLU   A 1 156 ? -20.796 -29.014 -20.648 1.00 17.33 ? 162 GLU   B CA  1 
ATOM   1340 C C   . GLU   A 1 156 ? -21.740 -28.458 -21.727 1.00 15.77 ? 162 GLU   B C   1 
ATOM   1341 O O   . GLU   A 1 156 ? -22.682 -29.179 -22.164 1.00 17.59 ? 162 GLU   B O   1 
ATOM   1342 C CB  . GLU   A 1 156 ? -21.460 -30.216 -19.972 1.00 21.24 ? 162 GLU   B CB  1 
ATOM   1343 C CG  . GLU   A 1 156 ? -20.799 -30.718 -18.699 1.00 26.54 ? 162 GLU   B CG  1 
ATOM   1344 C CD  . GLU   A 1 156 ? -21.459 -32.038 -18.356 1.00 36.44 ? 162 GLU   B CD  1 
ATOM   1345 O OE1 . GLU   A 1 156 ? -22.489 -32.027 -17.650 1.00 40.13 ? 162 GLU   B OE1 1 
ATOM   1346 O OE2 . GLU   A 1 156 ? -21.021 -33.059 -18.909 1.00 42.43 ? 162 GLU   B OE2 1 
ATOM   1347 N N   . CYS   A 1 157 ? -21.539 -27.193 -22.110 1.00 13.71 ? 163 CYS   B N   1 
ATOM   1348 C CA  . CYS   A 1 157 ? -22.414 -26.540 -23.118 1.00 12.70 ? 163 CYS   B CA  1 
ATOM   1349 C C   . CYS   A 1 157 ? -22.181 -27.184 -24.485 1.00 13.93 ? 163 CYS   B C   1 
ATOM   1350 O O   . CYS   A 1 157 ? -20.967 -27.420 -24.812 1.00 16.04 ? 163 CYS   B O   1 
ATOM   1351 C CB  . CYS   A 1 157 ? -22.221 -25.031 -23.244 1.00 12.18 ? 163 CYS   B CB  1 
ATOM   1352 S SG  . CYS   A 1 157 ? -22.627 -24.122 -21.732 1.00 12.84 ? 163 CYS   B SG  1 
ATOM   1353 N N   . VAL   A 1 158 ? -23.237 -27.400 -25.228 1.00 13.70 ? 164 VAL   B N   1 
ATOM   1354 C CA  . VAL   A 1 158 ? -23.096 -27.915 -26.615 1.00 14.60 ? 164 VAL   B CA  1 
ATOM   1355 C C   . VAL   A 1 158 ? -23.535 -26.758 -27.507 1.00 13.32 ? 164 VAL   B C   1 
ATOM   1356 O O   . VAL   A 1 158 ? -24.704 -26.639 -27.882 1.00 16.27 ? 164 VAL   B O   1 
ATOM   1357 C CB  . VAL   A 1 158 ? -23.852 -29.259 -26.759 1.00 17.51 ? 164 VAL   B CB  1 
ATOM   1358 C CG1 . VAL   A 1 158 ? -23.740 -29.721 -28.218 1.00 18.05 ? 164 VAL   B CG1 1 
ATOM   1359 C CG2 . VAL   A 1 158 ? -23.314 -30.321 -25.795 1.00 19.91 ? 164 VAL   B CG2 1 
ATOM   1360 N N   . PHE   A 1 159 ? -22.636 -25.841 -27.841 1.00 12.74 ? 165 PHE   B N   1 
ATOM   1361 C CA  . PHE   A 1 159 ? -22.924 -24.593 -28.582 1.00 12.85 ? 165 PHE   B CA  1 
ATOM   1362 C C   . PHE   A 1 159 ? -23.500 -24.964 -29.952 1.00 15.40 ? 165 PHE   B C   1 
ATOM   1363 O O   . PHE   A 1 159 ? -24.497 -24.373 -30.379 1.00 16.17 ? 165 PHE   B O   1 
ATOM   1364 C CB  . PHE   A 1 159 ? -21.737 -23.649 -28.579 1.00 12.33 ? 165 PHE   B CB  1 
ATOM   1365 C CG  . PHE   A 1 159 ? -21.308 -23.165 -27.210 1.00 11.16 ? 165 PHE   B CG  1 
ATOM   1366 C CD1 . PHE   A 1 159 ? -22.254 -22.650 -26.310 1.00 11.77 ? 165 PHE   B CD1 1 
ATOM   1367 C CD2 . PHE   A 1 159 ? -19.974 -23.180 -26.833 1.00 12.86 ? 165 PHE   B CD2 1 
ATOM   1368 C CE1 . PHE   A 1 159 ? -21.855 -22.175 -25.063 1.00 12.05 ? 165 PHE   B CE1 1 
ATOM   1369 C CE2 . PHE   A 1 159 ? -19.580 -22.709 -25.589 1.00 12.64 ? 165 PHE   B CE2 1 
ATOM   1370 C CZ  . PHE   A 1 159 ? -20.517 -22.186 -24.720 1.00 12.10 ? 165 PHE   B CZ  1 
ATOM   1371 N N   . ALA   A 1 160 ? -22.809 -25.847 -30.674 1.00 13.46 ? 166 ALA   B N   1 
ATOM   1372 C CA  . ALA   A 1 160 ? -23.265 -26.403 -31.968 1.00 14.09 ? 166 ALA   B CA  1 
ATOM   1373 C C   . ALA   A 1 160 ? -23.362 -25.316 -33.029 1.00 13.58 ? 166 ALA   B C   1 
ATOM   1374 O O   . ALA   A 1 160 ? -24.177 -25.526 -34.010 1.00 15.45 ? 166 ALA   B O   1 
ATOM   1375 C CB  . ALA   A 1 160 ? -24.538 -27.165 -31.811 1.00 13.91 ? 166 ALA   B CB  1 
ATOM   1376 N N   . GLY   A 1 161 ? -22.546 -24.288 -32.970 1.00 14.19 ? 167 GLY   B N   1 
ATOM   1377 C CA  . GLY   A 1 161 ? -22.547 -23.223 -33.972 1.00 15.68 ? 167 GLY   B CA  1 
ATOM   1378 C C   . GLY   A 1 161 ? -21.926 -21.966 -33.438 1.00 13.76 ? 167 GLY   B C   1 
ATOM   1379 O O   . GLY   A 1 161 ? -21.514 -21.902 -32.252 1.00 13.64 ? 167 GLY   B O   1 
ATOM   1380 N N   . PRO   A 1 162 ? -21.822 -20.939 -34.257 1.00 12.67 ? 168 PRO   B N   1 
ATOM   1381 C CA  . PRO   A 1 162 ? -21.348 -19.648 -33.821 1.00 12.28 ? 168 PRO   B CA  1 
ATOM   1382 C C   . PRO   A 1 162 ? -22.315 -19.091 -32.752 1.00 12.08 ? 168 PRO   B C   1 
ATOM   1383 O O   . PRO   A 1 162 ? -23.523 -19.329 -32.812 1.00 12.65 ? 168 PRO   B O   1 
ATOM   1384 C CB  . PRO   A 1 162 ? -21.367 -18.744 -35.054 1.00 13.06 ? 168 PRO   B CB  1 
ATOM   1385 C CG  . PRO   A 1 162 ? -21.483 -19.768 -36.201 1.00 13.45 ? 168 PRO   B CG  1 
ATOM   1386 C CD  . PRO   A 1 162 ? -22.225 -20.937 -35.677 1.00 12.70 ? 168 PRO   B CD  1 
ATOM   1387 N N   . LEU   A 1 163 ? -21.749 -18.339 -31.818 1.00 11.60 ? 169 LEU   B N   1 
ATOM   1388 C CA  . LEU   A 1 163 ? -22.525 -17.697 -30.706 1.00 11.38 ? 169 LEU   B CA  1 
ATOM   1389 C C   . LEU   A 1 163 ? -22.629 -16.208 -30.944 1.00 11.99 ? 169 LEU   B C   1 
ATOM   1390 O O   . LEU   A 1 163 ? -21.705 -15.571 -31.423 1.00 13.05 ? 169 LEU   B O   1 
ATOM   1391 C CB  . LEU   A 1 163 ? -21.839 -17.955 -29.362 1.00 11.41 ? 169 LEU   B CB  1 
ATOM   1392 C CG  . LEU   A 1 163 ? -21.856 -19.391 -28.845 1.00 12.87 ? 169 LEU   B CG  1 
ATOM   1393 C CD1 . LEU   A 1 163 ? -21.036 -19.454 -27.574 1.00 13.09 ? 169 LEU   B CD1 1 
ATOM   1394 C CD2 . LEU   A 1 163 ? -23.276 -19.881 -28.608 1.00 13.63 ? 169 LEU   B CD2 1 
ATOM   1395 N N   . ARG   A 1 164 ? -23.762 -15.634 -30.521 1.00 11.29 ? 170 ARG   B N   1 
ATOM   1396 C CA  . ARG   A 1 164 ? -23.982 -14.178 -30.511 1.00 11.20 ? 170 ARG   B CA  1 
ATOM   1397 C C   . ARG   A 1 164 ? -24.411 -13.717 -29.119 1.00 9.21  ? 170 ARG   B C   1 
ATOM   1398 O O   . ARG   A 1 164 ? -25.180 -14.408 -28.463 1.00 10.35 ? 170 ARG   B O   1 
ATOM   1399 C CB  . ARG   A 1 164 ? -25.055 -13.816 -31.544 1.00 12.83 ? 170 ARG   B CB  1 
ATOM   1400 C CG  . ARG   A 1 164 ? -24.574 -14.205 -32.951 1.00 15.75 ? 170 ARG   B CG  1 
ATOM   1401 C CD  . ARG   A 1 164 ? -25.461 -13.816 -34.089 1.00 17.34 ? 170 ARG   B CD  1 
ATOM   1402 N NE  . ARG   A 1 164 ? -25.471 -12.377 -34.184 1.00 16.22 ? 170 ARG   B NE  1 
ATOM   1403 C CZ  . ARG   A 1 164 ? -26.176 -11.753 -35.100 1.00 17.18 ? 170 ARG   B CZ  1 
ATOM   1404 N NH1 . ARG   A 1 164 ? -26.807 -12.451 -36.017 1.00 17.47 ? 170 ARG   B NH1 1 
ATOM   1405 N NH2 . ARG   A 1 164 ? -26.216 -10.444 -35.087 1.00 15.97 ? 170 ARG   B NH2 1 
ATOM   1406 N N   . PRO   A 1 165 ? -23.956 -12.523 -28.692 1.00 9.72  ? 171 PRO   B N   1 
ATOM   1407 C CA  . PRO   A 1 165 ? -24.506 -11.917 -27.463 1.00 9.47  ? 171 PRO   B CA  1 
ATOM   1408 C C   . PRO   A 1 165 ? -26.024 -11.759 -27.623 1.00 9.34  ? 171 PRO   B C   1 
ATOM   1409 O O   . PRO   A 1 165 ? -26.509 -11.428 -28.689 1.00 9.81  ? 171 PRO   B O   1 
ATOM   1410 C CB  . PRO   A 1 165 ? -23.806 -10.569 -27.353 1.00 9.98  ? 171 PRO   B CB  1 
ATOM   1411 C CG  . PRO   A 1 165 ? -22.513 -10.776 -28.164 1.00 11.44 ? 171 PRO   B CG  1 
ATOM   1412 C CD  . PRO   A 1 165 ? -22.948 -11.650 -29.307 1.00 11.75 ? 171 PRO   B CD  1 
ATOM   1413 N N   . PHE   A 1 166 ? -26.755 -12.051 -26.548 1.00 9.23  ? 172 PHE   B N   1 
ATOM   1414 C CA  . PHE   A 1 166 ? -28.225 -12.072 -26.516 1.00 9.58  ? 172 PHE   B CA  1 
ATOM   1415 C C   . PHE   A 1 166 ? -28.750 -11.135 -25.427 1.00 8.59  ? 172 PHE   B C   1 
ATOM   1416 O O   . PHE   A 1 166 ? -28.267 -11.135 -24.284 1.00 8.90  ? 172 PHE   B O   1 
ATOM   1417 C CB  . PHE   A 1 166 ? -28.719 -13.491 -26.264 1.00 9.84  ? 172 PHE   B CB  1 
ATOM   1418 C CG  . PHE   A 1 166 ? -30.220 -13.587 -26.087 1.00 10.14 ? 172 PHE   B CG  1 
ATOM   1419 C CD1 . PHE   A 1 166 ? -31.055 -13.566 -27.202 1.00 10.71 ? 172 PHE   B CD1 1 
ATOM   1420 C CD2 . PHE   A 1 166 ? -30.803 -13.621 -24.832 1.00 11.05 ? 172 PHE   B CD2 1 
ATOM   1421 C CE1 . PHE   A 1 166 ? -32.436 -13.622 -27.026 1.00 11.20 ? 172 PHE   B CE1 1 
ATOM   1422 C CE2 . PHE   A 1 166 ? -32.177 -13.640 -24.677 1.00 10.46 ? 172 PHE   B CE2 1 
ATOM   1423 C CZ  . PHE   A 1 166 ? -32.986 -13.652 -25.772 1.00 11.28 ? 172 PHE   B CZ  1 
ATOM   1424 N N   . PHE   A 1 167 ? -29.828 -10.386 -25.764 1.00 8.53  ? 173 PHE   B N   1 
ATOM   1425 C CA  . PHE   A 1 167 ? -30.432 -9.368  -24.880 1.00 8.95  ? 173 PHE   B CA  1 
ATOM   1426 C C   . PHE   A 1 167 ? -31.954 -9.421  -24.995 1.00 9.74  ? 173 PHE   B C   1 
ATOM   1427 O O   . PHE   A 1 167 ? -32.465 -9.456  -26.128 1.00 9.81  ? 173 PHE   B O   1 
ATOM   1428 C CB  . PHE   A 1 167 ? -29.983 -7.954  -25.262 1.00 9.28  ? 173 PHE   B CB  1 
ATOM   1429 C CG  . PHE   A 1 167 ? -28.477 -7.803  -25.363 1.00 9.53  ? 173 PHE   B CG  1 
ATOM   1430 C CD1 . PHE   A 1 167 ? -27.810 -8.099  -26.545 1.00 9.39  ? 173 PHE   B CD1 1 
ATOM   1431 C CD2 . PHE   A 1 167 ? -27.725 -7.352  -24.283 1.00 11.43 ? 173 PHE   B CD2 1 
ATOM   1432 C CE1 . PHE   A 1 167 ? -26.419 -8.034  -26.636 1.00 9.85  ? 173 PHE   B CE1 1 
ATOM   1433 C CE2 . PHE   A 1 167 ? -26.352 -7.225  -24.400 1.00 11.23 ? 173 PHE   B CE2 1 
ATOM   1434 C CZ  . PHE   A 1 167 ? -25.705 -7.566  -25.572 1.00 11.50 ? 173 PHE   B CZ  1 
ATOM   1435 N N   . ASN   A 1 168 ? -32.627 -9.276  -23.877 1.00 9.48  ? 174 ASN   B N   1 
ATOM   1436 C CA  . ASN   A 1 168 ? -34.087 -9.026  -23.830 1.00 9.02  ? 174 ASN   B CA  1 
ATOM   1437 C C   . ASN   A 1 168 ? -34.302 -7.891  -22.849 1.00 8.84  ? 174 ASN   B C   1 
ATOM   1438 O O   . ASN   A 1 168 ? -34.015 -8.067  -21.654 1.00 9.60  ? 174 ASN   B O   1 
ATOM   1439 C CB  . ASN   A 1 168 ? -34.883 -10.259 -23.424 1.00 9.24  ? 174 ASN   B CB  1 
ATOM   1440 C CG  . ASN   A 1 168 ? -36.375 -10.053 -23.498 1.00 10.93 ? 174 ASN   B CG  1 
ATOM   1441 O OD1 . ASN   A 1 168 ? -36.895 -8.999  -23.824 1.00 11.76 ? 174 ASN   B OD1 1 
ATOM   1442 N ND2 . ASN   A 1 168 ? -37.099 -11.123 -23.274 1.00 12.54 ? 174 ASN   B ND2 1 
ATOM   1443 N N   . VAL   A 1 169 ? -34.835 -6.745  -23.308 1.00 9.28  ? 175 VAL   B N   1 
ATOM   1444 C CA  . VAL   A 1 169 ? -35.095 -5.580  -22.411 1.00 10.00 ? 175 VAL   B CA  1 
ATOM   1445 C C   . VAL   A 1 169 ? -36.359 -5.800  -21.586 1.00 10.25 ? 175 VAL   B C   1 
ATOM   1446 O O   . VAL   A 1 169 ? -36.595 -5.002  -20.652 1.00 10.73 ? 175 VAL   B O   1 
ATOM   1447 C CB  . VAL   A 1 169 ? -35.162 -4.224  -23.149 1.00 10.73 ? 175 VAL   B CB  1 
ATOM   1448 C CG1 . VAL   A 1 169 ? -33.864 -3.882  -23.827 1.00 11.99 ? 175 VAL   B CG1 1 
ATOM   1449 C CG2 . VAL   A 1 169 ? -36.296 -4.173  -24.157 1.00 10.98 ? 175 VAL   B CG2 1 
ATOM   1450 N N   . GLY   A 1 170 ? -37.159 -6.810  -21.938 1.00 9.85  ? 176 GLY   B N   1 
ATOM   1451 C CA  . GLY   A 1 170 ? -38.459 -7.074  -21.280 1.00 10.70 ? 176 GLY   B CA  1 
ATOM   1452 C C   . GLY   A 1 170 ? -39.556 -6.110  -21.683 1.00 10.25 ? 176 GLY   B C   1 
ATOM   1453 O O   . GLY   A 1 170 ? -39.313 -5.052  -22.270 1.00 10.28 ? 176 GLY   B O   1 
ATOM   1454 N N   . PHE   A 1 171 ? -40.781 -6.562  -21.451 1.00 10.84 ? 177 PHE   B N   1 
ATOM   1455 C CA  . PHE   A 1 171 ? -41.976 -5.711  -21.634 1.00 10.47 ? 177 PHE   B CA  1 
ATOM   1456 C C   . PHE   A 1 171 ? -42.004 -4.637  -20.575 1.00 10.32 ? 177 PHE   B C   1 
ATOM   1457 O O   . PHE   A 1 171 ? -41.328 -4.699  -19.560 1.00 10.40 ? 177 PHE   B O   1 
ATOM   1458 C CB  . PHE   A 1 171 ? -43.261 -6.551  -21.685 1.00 11.45 ? 177 PHE   B CB  1 
ATOM   1459 C CG  . PHE   A 1 171 ? -43.361 -7.425  -22.915 1.00 12.08 ? 177 PHE   B CG  1 
ATOM   1460 C CD1 . PHE   A 1 171 ? -43.765 -6.901  -24.138 1.00 14.42 ? 177 PHE   B CD1 1 
ATOM   1461 C CD2 . PHE   A 1 171 ? -43.102 -8.784  -22.846 1.00 13.89 ? 177 PHE   B CD2 1 
ATOM   1462 C CE1 . PHE   A 1 171 ? -43.826 -7.712  -25.276 1.00 15.69 ? 177 PHE   B CE1 1 
ATOM   1463 C CE2 . PHE   A 1 171 ? -43.196 -9.578  -23.995 1.00 14.71 ? 177 PHE   B CE2 1 
ATOM   1464 C CZ  . PHE   A 1 171 ? -43.603 -9.041  -25.171 1.00 15.28 ? 177 PHE   B CZ  1 
ATOM   1465 N N   . ASN   A 1 172 ? -42.873 -3.661  -20.807 1.00 10.51 ? 178 ASN   B N   1 
ATOM   1466 C CA  . ASN   A 1 172 ? -43.084 -2.557  -19.841 1.00 9.94  ? 178 ASN   B CA  1 
ATOM   1467 C C   . ASN   A 1 172 ? -44.597 -2.401  -19.643 1.00 9.85  ? 178 ASN   B C   1 
ATOM   1468 O O   . ASN   A 1 172 ? -45.118 -1.264  -19.673 1.00 12.37 ? 178 ASN   B O   1 
ATOM   1469 C CB  . ASN   A 1 172 ? -42.414 -1.288  -20.303 1.00 10.73 ? 178 ASN   B CB  1 
ATOM   1470 C CG  . ASN   A 1 172 ? -42.465 -0.192  -19.275 1.00 10.84 ? 178 ASN   B CG  1 
ATOM   1471 O OD1 . ASN   A 1 172 ? -42.506 -0.427  -18.065 1.00 11.31 ? 178 ASN   B OD1 1 
ATOM   1472 N ND2 . ASN   A 1 172 ? -42.434 1.044   -19.750 1.00 12.85 ? 178 ASN   B ND2 1 
ATOM   1473 N N   . TYR   A 1 173 ? -45.267 -3.469  -19.297 1.00 10.57 ? 179 TYR   B N   1 
ATOM   1474 C CA  . TYR   A 1 173 ? -46.702 -3.410  -18.908 1.00 10.42 ? 179 TYR   B CA  1 
ATOM   1475 C C   . TYR   A 1 173 ? -46.867 -2.609  -17.629 1.00 11.37 ? 179 TYR   B C   1 
ATOM   1476 O O   . TYR   A 1 173 ? -47.958 -1.961  -17.431 1.00 12.65 ? 179 TYR   B O   1 
ATOM   1477 C CB  . TYR   A 1 173 ? -47.274 -4.817  -18.691 1.00 10.99 ? 179 TYR   B CB  1 
ATOM   1478 C CG  . TYR   A 1 173 ? -47.340 -5.682  -19.921 1.00 13.94 ? 179 TYR   B CG  1 
ATOM   1479 C CD1 . TYR   A 1 173 ? -48.296 -5.445  -20.896 1.00 18.69 ? 179 TYR   B CD1 1 
ATOM   1480 C CD2 . TYR   A 1 173 ? -46.515 -6.785  -20.052 1.00 16.33 ? 179 TYR   B CD2 1 
ATOM   1481 C CE1 . TYR   A 1 173 ? -48.329 -6.211  -22.058 1.00 19.05 ? 179 TYR   B CE1 1 
ATOM   1482 C CE2 . TYR   A 1 173 ? -46.532 -7.544  -21.229 1.00 15.99 ? 179 TYR   B CE2 1 
ATOM   1483 C CZ  . TYR   A 1 173 ? -47.438 -7.252  -22.210 1.00 18.27 ? 179 TYR   B CZ  1 
ATOM   1484 O OH  . TYR   A 1 173 ? -47.495 -8.063  -23.340 1.00 23.54 ? 179 TYR   B OH  1 
ATOM   1485 N N   . SER   A 1 174 ? -45.929 -2.621  -16.691 1.00 10.58 ? 180 SER   B N   1 
ATOM   1486 C CA  . SER   A 1 174 ? -46.038 -2.020  -15.340 1.00 11.88 ? 180 SER   B CA  1 
ATOM   1487 C C   . SER   A 1 174 ? -45.751 -0.517  -15.375 1.00 12.00 ? 180 SER   B C   1 
ATOM   1488 O O   . SER   A 1 174 ? -46.083 0.181   -14.386 1.00 13.25 ? 180 SER   B O   1 
ATOM   1489 C CB  . SER   A 1 174 ? -45.079 -2.641  -14.367 1.00 11.77 ? 180 SER   B CB  1 
ATOM   1490 O OG  . SER   A 1 174 ? -43.727 -2.390  -14.809 1.00 12.19 ? 180 SER   B OG  1 
ATOM   1491 N N   . GLY   A 1 175 ? -45.095 0.004   -16.405 1.00 10.40 ? 181 GLY   B N   1 
ATOM   1492 C CA  . GLY   A 1 175 ? -44.567 1.375   -16.355 1.00 10.89 ? 181 GLY   B CA  1 
ATOM   1493 C C   . GLY   A 1 175 ? -43.330 1.515   -15.508 1.00 12.34 ? 181 GLY   B C   1 
ATOM   1494 O O   . GLY   A 1 175 ? -42.845 2.647   -15.374 1.00 14.45 ? 181 GLY   B O   1 
ATOM   1495 N N   . GLY   A 1 176 ? -42.792 0.423   -14.942 1.00 11.22 ? 182 GLY   B N   1 
ATOM   1496 C CA  . GLY   A 1 176 ? -41.575 0.441   -14.122 1.00 11.12 ? 182 GLY   B CA  1 
ATOM   1497 C C   . GLY   A 1 176 ? -40.368 -0.212  -14.791 1.00 11.79 ? 182 GLY   B C   1 
ATOM   1498 O O   . GLY   A 1 176 ? -39.324 -0.301  -14.126 1.00 14.00 ? 182 GLY   B O   1 
ATOM   1499 N N   . ASN   A 1 177 ? -40.487 -0.601  -16.051 1.00 9.82  ? 183 ASN   B N   1 
ATOM   1500 C CA  . ASN   A 1 177 ? -39.391 -1.308  -16.745 1.00 10.08 ? 183 ASN   B CA  1 
ATOM   1501 C C   . ASN   A 1 177 ? -38.935 -0.588  -18.000 1.00 10.10 ? 183 ASN   B C   1 
ATOM   1502 O O   . ASN   A 1 177 ? -38.369 -1.254  -18.894 1.00 11.19 ? 183 ASN   B O   1 
ATOM   1503 C CB  . ASN   A 1 177 ? -39.770 -2.750  -17.058 1.00 9.76  ? 183 ASN   B CB  1 
ATOM   1504 C CG  . ASN   A 1 177 ? -38.564 -3.628  -17.336 1.00 9.94  ? 183 ASN   B CG  1 
ATOM   1505 O OD1 . ASN   A 1 177 ? -37.522 -3.454  -16.714 1.00 10.14 ? 183 ASN   B OD1 1 
ATOM   1506 N ND2 . ASN   A 1 177 ? -38.728 -4.537  -18.289 1.00 9.94  ? 183 ASN   B ND2 1 
ATOM   1507 N N   . ALA   A 1 178 ? -39.012 0.726   -18.081 1.00 10.94 ? 184 ALA   B N   1 
ATOM   1508 C CA  . ALA   A 1 178 ? -38.617 1.449   -19.306 1.00 11.71 ? 184 ALA   B CA  1 
ATOM   1509 C C   . ALA   A 1 178 ? -37.096 1.589   -19.460 1.00 11.63 ? 184 ALA   B C   1 
ATOM   1510 O O   . ALA   A 1 178 ? -36.659 1.873   -20.572 1.00 13.57 ? 184 ALA   B O   1 
ATOM   1511 C CB  . ALA   A 1 178 ? -39.245 2.853   -19.297 1.00 12.99 ? 184 ALA   B CB  1 
ATOM   1512 N N   . ALA   A 1 179 ? -36.335 1.438   -18.389 1.00 11.19 ? 185 ALA   B N   1 
ATOM   1513 C CA  . ALA   A 1 179 ? -34.880 1.738   -18.426 1.00 11.37 ? 185 ALA   B CA  1 
ATOM   1514 C C   . ALA   A 1 179 ? -34.178 0.843   -19.465 1.00 11.17 ? 185 ALA   B C   1 
ATOM   1515 O O   . ALA   A 1 179 ? -34.578 -0.300  -19.752 1.00 10.84 ? 185 ALA   B O   1 
ATOM   1516 C CB  . ALA   A 1 179 ? -34.274 1.555   -17.060 1.00 11.99 ? 185 ALA   B CB  1 
ATOM   1517 N N   . PRO   A 1 180 ? -33.096 1.344   -20.067 1.00 10.62 ? 186 PRO   B N   1 
ATOM   1518 C CA  . PRO   A 1 180 ? -32.356 0.578   -21.077 1.00 11.19 ? 186 PRO   B CA  1 
ATOM   1519 C C   . PRO   A 1 180 ? -31.447 -0.528  -20.494 1.00 10.21 ? 186 PRO   B C   1 
ATOM   1520 O O   . PRO   A 1 180 ? -31.111 -0.488  -19.325 1.00 11.42 ? 186 PRO   B O   1 
ATOM   1521 C CB  . PRO   A 1 180 ? -31.474 1.655   -21.743 1.00 12.37 ? 186 PRO   B CB  1 
ATOM   1522 C CG  . PRO   A 1 180 ? -31.219 2.646   -20.621 1.00 14.53 ? 186 PRO   B CG  1 
ATOM   1523 C CD  . PRO   A 1 180 ? -32.541 2.693   -19.853 1.00 13.77 ? 186 PRO   B CD  1 
ATOM   1524 N N   . LEU   A 1 181 ? -31.062 -1.463  -21.352 1.00 10.50 ? 187 LEU   B N   1 
ATOM   1525 C CA  . LEU   A 1 181 ? -29.810 -2.237  -21.165 1.00 10.67 ? 187 LEU   B CA  1 
ATOM   1526 C C   . LEU   A 1 181 ? -28.682 -1.436  -21.801 1.00 10.97 ? 187 LEU   B C   1 
ATOM   1527 O O   . LEU   A 1 181 ? -28.860 -0.944  -22.938 1.00 13.09 ? 187 LEU   B O   1 
ATOM   1528 C CB  . LEU   A 1 181 ? -29.969 -3.603  -21.806 1.00 10.84 ? 187 LEU   B CB  1 
ATOM   1529 C CG  . LEU   A 1 181 ? -30.994 -4.555  -21.167 1.00 11.66 ? 187 LEU   B CG  1 
ATOM   1530 C CD1 . LEU   A 1 181 ? -31.143 -5.849  -21.961 1.00 12.13 ? 187 LEU   B CD1 1 
ATOM   1531 C CD2 . LEU   A 1 181 ? -30.645 -4.903  -19.737 1.00 13.47 ? 187 LEU   B CD2 1 
ATOM   1532 N N   . LYS   A 1 182 ? -27.533 -1.382  -21.144 1.00 10.88 ? 188 LYS   B N   1 
ATOM   1533 C CA  . LYS   A 1 182 ? -26.385 -0.617  -21.684 1.00 12.13 ? 188 LYS   B CA  1 
ATOM   1534 C C   . LYS   A 1 182 ? -25.151 -1.500  -21.641 1.00 12.41 ? 188 LYS   B C   1 
ATOM   1535 O O   . LYS   A 1 182 ? -24.823 -2.047  -20.565 1.00 13.01 ? 188 LYS   B O   1 
ATOM   1536 C CB  . LYS   A 1 182 ? -26.110 0.670   -20.899 1.00 13.86 ? 188 LYS   B CB  1 
ATOM   1537 C CG  . LYS   A 1 182 ? -27.290 1.595   -20.669 1.00 17.15 ? 188 LYS   B CG  1 
ATOM   1538 C CD  . LYS   A 1 182 ? -26.855 2.927   -20.029 1.00 21.32 ? 188 LYS   B CD  1 
ATOM   1539 C CE  . LYS   A 1 182 ? -27.984 3.851   -19.649 1.00 25.86 ? 188 LYS   B CE  1 
ATOM   1540 N NZ  . LYS   A 1 182 ? -27.437 5.041   -18.939 1.00 31.37 ? 188 LYS   B NZ  1 
ATOM   1541 N N   . LEU   A 1 183 ? -24.408 -1.548  -22.715 1.00 12.30 ? 189 LEU   B N   1 
ATOM   1542 C CA  . LEU   A 1 183 ? -23.065 -2.200  -22.724 1.00 12.54 ? 189 LEU   B CA  1 
ATOM   1543 C C   . LEU   A 1 183 ? -22.073 -1.261  -22.061 1.00 14.18 ? 189 LEU   B C   1 
ATOM   1544 O O   . LEU   A 1 183 ? -21.918 -0.108  -22.561 1.00 17.66 ? 189 LEU   B O   1 
ATOM   1545 C CB  . LEU   A 1 183 ? -22.680 -2.551  -24.159 1.00 13.30 ? 189 LEU   B CB  1 
ATOM   1546 C CG  . LEU   A 1 183 ? -23.424 -3.798  -24.646 1.00 14.30 ? 189 LEU   B CG  1 
ATOM   1547 C CD1 . LEU   A 1 183 ? -23.593 -3.875  -26.140 1.00 18.32 ? 189 LEU   B CD1 1 
ATOM   1548 C CD2 . LEU   A 1 183 ? -22.814 -5.091  -24.074 1.00 12.80 ? 189 LEU   B CD2 1 
ATOM   1549 N N   . CYS   A 1 184 ? -21.444 -1.726  -20.986 1.00 15.18 ? 190 CYS   B N   1 
ATOM   1550 C CA  . CYS   A 1 184 ? -20.531 -0.891  -20.150 1.00 17.65 ? 190 CYS   B CA  1 
ATOM   1551 C C   . CYS   A 1 184 ? -19.172 -0.791  -20.808 1.00 19.02 ? 190 CYS   B C   1 
ATOM   1552 O O   . CYS   A 1 184 ? -18.685 -1.722  -21.418 1.00 19.58 ? 190 CYS   B O   1 
ATOM   1553 C CB  . CYS   A 1 184 ? -20.213 -1.580  -18.844 1.00 20.10 ? 190 CYS   B CB  1 
ATOM   1554 S SG  . CYS   A 1 184 ? -21.658 -2.083  -17.925 1.00 21.22 ? 190 CYS   B SG  1 
ATOM   1555 N N   . PRO   A 1 185 ? -18.500 0.362   -20.651 1.00 24.52 ? 191 PRO   B N   1 
ATOM   1556 C CA  . PRO   A 1 185 ? -17.174 0.554   -21.197 1.00 29.89 ? 191 PRO   B CA  1 
ATOM   1557 C C   . PRO   A 1 185 ? -16.186 -0.391  -20.510 1.00 28.65 ? 191 PRO   B C   1 
ATOM   1558 O O   . PRO   A 1 185 ? -16.336 -0.683  -19.327 1.00 29.61 ? 191 PRO   B O   1 
ATOM   1559 C CB  . PRO   A 1 185 ? -16.900 2.050   -20.931 1.00 29.10 ? 191 PRO   B CB  1 
ATOM   1560 C CG  . PRO   A 1 185 ? -17.815 2.449   -19.816 1.00 30.60 ? 191 PRO   B CG  1 
ATOM   1561 C CD  . PRO   A 1 185 ? -19.019 1.547   -19.954 1.00 27.86 ? 191 PRO   B CD  1 
ATOM   1562 N N   . LEU   A 1 186 ? -15.213 -0.820  -21.306 1.00 34.02 ? 192 LEU   B N   1 
ATOM   1563 C CA  . LEU   A 1 186 ? -13.972 -1.556  -20.953 1.00 37.12 ? 192 LEU   B CA  1 
ATOM   1564 C C   . LEU   A 1 186 ? -13.086 -0.700  -20.046 1.00 42.12 ? 192 LEU   B C   1 
ATOM   1565 O O   . LEU   A 1 186 ? -12.339 -1.297  -19.256 1.00 46.44 ? 192 LEU   B O   1 
ATOM   1566 C CB  . LEU   A 1 186 ? -13.244 -1.864  -22.266 1.00 38.09 ? 192 LEU   B CB  1 
HETATM 1567 C C1  . EDO   B 2 .   ? -45.597 -3.431  -22.927 1.00 28.11 ? 201 EDO   B C1  1 
HETATM 1568 O O1  . EDO   B 2 .   ? -44.245 -3.119  -23.224 1.00 18.65 ? 201 EDO   B O1  1 
HETATM 1569 C C2  . EDO   B 2 .   ? -46.515 -3.817  -24.041 1.00 36.12 ? 201 EDO   B C2  1 
HETATM 1570 O O2  . EDO   B 2 .   ? -46.201 -3.282  -25.313 1.00 42.04 ? 201 EDO   B O2  1 
HETATM 1571 N N1  . A1BFP C 3 .   ? -48.247 -11.153 -32.152 0.63 37.58 ? 202 A1BFP B N1  1 
HETATM 1572 N N3  . A1BFP C 3 .   ? -45.362 -6.896  -29.257 0.63 25.76 ? 202 A1BFP B N3  1 
HETATM 1573 C C4  . A1BFP C 3 .   ? -46.926 -10.579 -30.189 0.63 34.58 ? 202 A1BFP B C4  1 
HETATM 1574 C C5  . A1BFP C 3 .   ? -46.645 -9.521  -29.137 0.63 30.48 ? 202 A1BFP B C5  1 
HETATM 1575 C C6  . A1BFP C 3 .   ? -44.677 -8.010  -29.078 0.63 25.04 ? 202 A1BFP B C6  1 
HETATM 1576 C C7  . A1BFP C 3 .   ? -44.510 -5.810  -29.167 0.63 24.37 ? 202 A1BFP B C7  1 
HETATM 1577 C C8  . A1BFP C 3 .   ? -43.204 -6.100  -29.244 0.63 22.57 ? 202 A1BFP B C8  1 
HETATM 1578 C C1  . A1BFP C 3 .   ? -49.227 -10.717 -33.148 0.63 36.09 ? 202 A1BFP B C1  1 
HETATM 1579 C C2  . A1BFP C 3 .   ? -46.997 -11.604 -32.805 0.63 36.38 ? 202 A1BFP B C2  1 
HETATM 1580 C C3  . A1BFP C 3 .   ? -45.801 -10.853 -32.288 0.63 36.17 ? 202 A1BFP B C3  1 
HETATM 1581 C C9  . A1BFP C 3 .   ? -47.985 -10.102 -31.165 0.63 35.20 ? 202 A1BFP B C9  1 
HETATM 1582 N N2  . A1BFP C 3 .   ? -45.227 -9.235  -28.950 0.63 27.11 ? 202 A1BFP B N2  1 
HETATM 1583 O O1  . A1BFP C 3 .   ? -45.713 -10.897 -30.868 0.63 34.69 ? 202 A1BFP B O1  1 
HETATM 1584 S S1  . A1BFP C 3 .   ? -42.950 -7.788  -28.988 0.63 23.71 ? 202 A1BFP B S1  1 
HETATM 1585 N N1  . EPE   D 4 .   ? -38.029 -15.626 -20.140 1.00 45.07 ? 203 EPE   B N1  1 
HETATM 1586 C C2  . EPE   D 4 .   ? -38.600 -14.600 -21.025 1.00 40.27 ? 203 EPE   B C2  1 
HETATM 1587 C C3  . EPE   D 4 .   ? -38.239 -13.201 -20.578 1.00 39.61 ? 203 EPE   B C3  1 
HETATM 1588 N N4  . EPE   D 4 .   ? -38.440 -12.955 -19.135 1.00 37.92 ? 203 EPE   B N4  1 
HETATM 1589 C C5  . EPE   D 4 .   ? -37.966 -14.065 -18.287 1.00 36.46 ? 203 EPE   B C5  1 
HETATM 1590 C C6  . EPE   D 4 .   ? -38.509 -15.384 -18.777 1.00 39.77 ? 203 EPE   B C6  1 
HETATM 1591 C C7  . EPE   D 4 .   ? -37.937 -11.649 -18.697 1.00 32.19 ? 203 EPE   B C7  1 
HETATM 1592 C C8  . EPE   D 4 .   ? -37.879 -10.569 -19.783 1.00 32.40 ? 203 EPE   B C8  1 
HETATM 1593 O O8  . EPE   D 4 .   ? -39.075 -10.433 -20.547 1.00 30.04 ? 203 EPE   B O8  1 
HETATM 1594 C C9  . EPE   D 4 .   ? -38.294 -16.995 -20.623 1.00 49.09 ? 203 EPE   B C9  1 
HETATM 1595 C C10 . EPE   D 4 .   ? -39.482 -17.750 -20.021 1.00 50.47 ? 203 EPE   B C10 1 
HETATM 1596 S S   . EPE   D 4 .   ? -39.455 -19.419 -20.646 1.00 50.82 ? 203 EPE   B S   1 
HETATM 1597 O O1S . EPE   D 4 .   ? -38.153 -19.536 -21.244 1.00 41.28 ? 203 EPE   B O1S 1 
HETATM 1598 O O2S . EPE   D 4 .   ? -40.630 -19.582 -21.460 1.00 46.94 ? 203 EPE   B O2S 1 
HETATM 1599 O O3S . EPE   D 4 .   ? -39.566 -20.296 -19.365 1.00 47.63 ? 203 EPE   B O3S 1 
HETATM 1600 C C1  . EDO   E 2 .   ? -50.667 -16.780 -33.136 1.00 38.76 ? 204 EDO   B C1  1 
HETATM 1601 O O1  . EDO   E 2 .   ? -49.297 -16.422 -33.026 1.00 34.40 ? 204 EDO   B O1  1 
HETATM 1602 C C2  . EDO   E 2 .   ? -51.280 -17.176 -31.849 1.00 38.16 ? 204 EDO   B C2  1 
HETATM 1603 O O2  . EDO   E 2 .   ? -51.041 -16.232 -30.832 1.00 42.64 ? 204 EDO   B O2  1 
HETATM 1604 S S   . SO4   F 5 .   ? -40.475 -24.570 -26.355 1.00 37.44 ? 205 SO4   B S   1 
HETATM 1605 O O1  . SO4   F 5 .   ? -39.755 -23.594 -27.097 1.00 24.82 ? 205 SO4   B O1  1 
HETATM 1606 O O2  . SO4   F 5 .   ? -41.383 -25.271 -27.217 1.00 44.87 ? 205 SO4   B O2  1 
HETATM 1607 O O3  . SO4   F 5 .   ? -39.517 -25.501 -25.782 1.00 44.02 ? 205 SO4   B O3  1 
HETATM 1608 O O4  . SO4   F 5 .   ? -41.229 -23.958 -25.274 1.00 41.24 ? 205 SO4   B O4  1 
HETATM 1609 O O   . HOH   G 6 .   ? -38.655 -15.344 -11.563 1.00 31.96 ? 301 HOH   B O   1 
HETATM 1610 O O   . HOH   G 6 .   ? -47.073 -16.674 -32.112 1.00 21.72 ? 302 HOH   B O   1 
HETATM 1611 O O   . HOH   G 6 .   ? -22.734 -1.844  -9.685  1.00 28.13 ? 303 HOH   B O   1 
HETATM 1612 O O   . HOH   G 6 .   ? -26.953 -28.508 -27.788 1.00 24.53 ? 304 HOH   B O   1 
HETATM 1613 O O   . HOH   G 6 .   ? -45.655 3.678   -34.104 1.00 16.87 ? 305 HOH   B O   1 
HETATM 1614 O O   . HOH   G 6 .   ? -40.045 -11.453 -22.646 1.00 31.85 ? 306 HOH   B O   1 
HETATM 1615 O O   . HOH   G 6 .   ? -13.496 -23.528 -31.598 1.00 14.64 ? 307 HOH   B O   1 
HETATM 1616 O O   . HOH   G 6 .   ? -18.695 -21.987 -35.788 1.00 16.39 ? 308 HOH   B O   1 
HETATM 1617 O O   . HOH   G 6 .   ? -15.614 -5.366  -13.665 1.00 30.68 ? 309 HOH   B O   1 
HETATM 1618 O O   . HOH   G 6 .   ? -40.197 -1.192  -9.708  1.00 27.58 ? 310 HOH   B O   1 
HETATM 1619 O O   . HOH   G 6 .   ? -38.751 0.761   -11.864 1.00 34.34 ? 311 HOH   B O   1 
HETATM 1620 O O   . HOH   G 6 .   ? -45.038 7.468   -24.650 1.00 38.79 ? 312 HOH   B O   1 
HETATM 1621 O O   . HOH   G 6 .   ? -29.455 -12.395 -37.703 1.00 23.24 ? 313 HOH   B O   1 
HETATM 1622 O O   . HOH   G 6 .   ? -32.972 1.120   -33.463 1.00 18.98 ? 314 HOH   B O   1 
HETATM 1623 O O   . HOH   G 6 .   ? -26.151 3.538   -35.169 1.00 31.69 ? 315 HOH   B O   1 
HETATM 1624 O O   . HOH   G 6 .   ? -38.026 2.803   -22.716 1.00 17.65 ? 316 HOH   B O   1 
HETATM 1625 O O   . HOH   G 6 .   ? -35.687 -19.107 -30.514 1.00 29.23 ? 317 HOH   B O   1 
HETATM 1626 O O   . HOH   G 6 .   ? -8.948  -13.493 -25.144 1.00 32.89 ? 318 HOH   B O   1 
HETATM 1627 O O   . HOH   G 6 .   ? -35.974 -22.459 -19.591 1.00 23.84 ? 319 HOH   B O   1 
HETATM 1628 O O   . HOH   G 6 .   ? -36.660 -23.045 -30.768 1.00 32.47 ? 320 HOH   B O   1 
HETATM 1629 O O   . HOH   G 6 .   ? -30.791 -6.715  -11.257 1.00 15.32 ? 321 HOH   B O   1 
HETATM 1630 O O   . HOH   G 6 .   ? -45.557 0.087   -11.782 1.00 16.76 ? 322 HOH   B O   1 
HETATM 1631 O O   . HOH   G 6 .   ? -24.649 -30.964 -21.964 1.00 35.73 ? 323 HOH   B O   1 
HETATM 1632 O O   . HOH   G 6 .   ? -40.862 -9.352  -36.797 1.00 26.15 ? 324 HOH   B O   1 
HETATM 1633 O O   . HOH   G 6 .   ? -49.733 -1.680  -19.408 1.00 25.15 ? 325 HOH   B O   1 
HETATM 1634 O O   . HOH   G 6 .   ? -37.371 -25.530 -11.446 1.00 35.96 ? 326 HOH   B O   1 
HETATM 1635 O O   . HOH   G 6 .   ? -36.812 -16.242 -39.455 1.00 26.12 ? 327 HOH   B O   1 
HETATM 1636 O O   . HOH   G 6 .   ? -25.873 -22.664 -35.790 1.00 27.40 ? 328 HOH   B O   1 
HETATM 1637 O O   . HOH   G 6 .   ? -19.371 -29.771 -15.694 1.00 28.38 ? 329 HOH   B O   1 
HETATM 1638 O O   . HOH   G 6 .   ? -30.721 1.144   -16.946 1.00 26.73 ? 330 HOH   B O   1 
HETATM 1639 O O   . HOH   G 6 .   ? -12.811 -21.330 -18.617 1.00 29.30 ? 331 HOH   B O   1 
HETATM 1640 O O   . HOH   G 6 .   ? -32.827 -18.240 -37.215 1.00 31.61 ? 332 HOH   B O   1 
HETATM 1641 O O   . HOH   G 6 .   ? -17.631 -21.357 -12.401 1.00 18.40 ? 333 HOH   B O   1 
HETATM 1642 O O   . HOH   G 6 .   ? -18.496 -4.607  -24.652 1.00 17.17 ? 334 HOH   B O   1 
HETATM 1643 O O   . HOH   G 6 .   ? -13.589 -21.008 -35.152 1.00 31.08 ? 335 HOH   B O   1 
HETATM 1644 O O   . HOH   G 6 .   ? -30.871 -20.313 -21.318 1.00 11.88 ? 336 HOH   B O   1 
HETATM 1645 O O   . HOH   G 6 .   ? -17.592 -27.667 -19.650 1.00 18.64 ? 337 HOH   B O   1 
HETATM 1646 O O   . HOH   G 6 .   ? -45.150 -12.279 -26.585 1.00 27.80 ? 338 HOH   B O   1 
HETATM 1647 O O   . HOH   G 6 .   ? -42.997 -15.371 -10.054 1.00 23.05 ? 339 HOH   B O   1 
HETATM 1648 O O   . HOH   G 6 .   ? -9.432  -18.498 -30.330 1.00 44.35 ? 340 HOH   B O   1 
HETATM 1649 O O   . HOH   G 6 .   ? -47.262 1.283   -25.537 1.00 31.04 ? 341 HOH   B O   1 
HETATM 1650 O O   . HOH   G 6 .   ? -30.234 -23.909 -34.007 1.00 24.08 ? 342 HOH   B O   1 
HETATM 1651 O O   . HOH   G 6 .   ? -10.983 -21.163 -25.116 1.00 29.82 ? 343 HOH   B O   1 
HETATM 1652 O O   . HOH   G 6 .   ? -38.831 -2.482  -21.285 1.00 13.96 ? 344 HOH   B O   1 
HETATM 1653 O O   . HOH   G 6 .   ? -17.867 -19.839 -37.478 1.00 26.57 ? 345 HOH   B O   1 
HETATM 1654 O O   . HOH   G 6 .   ? -36.786 -26.034 -23.757 1.00 33.43 ? 346 HOH   B O   1 
HETATM 1655 O O   . HOH   G 6 .   ? -38.558 -7.614  -10.693 1.00 14.93 ? 347 HOH   B O   1 
HETATM 1656 O O   . HOH   G 6 .   ? -23.915 1.150   -10.701 1.00 31.00 ? 348 HOH   B O   1 
HETATM 1657 O O   . HOH   G 6 .   ? -16.182 -19.660 -15.633 1.00 24.10 ? 349 HOH   B O   1 
HETATM 1658 O O   . HOH   G 6 .   ? -41.843 1.576   -22.502 1.00 33.32 ? 350 HOH   B O   1 
HETATM 1659 O O   . HOH   G 6 .   ? -26.596 -25.766 -16.397 1.00 17.41 ? 351 HOH   B O   1 
HETATM 1660 O O   . HOH   G 6 .   ? -28.441 -21.670 -8.935  1.00 17.38 ? 352 HOH   B O   1 
HETATM 1661 O O   . HOH   G 6 .   ? -23.338 4.364   -24.556 1.00 25.23 ? 353 HOH   B O   1 
HETATM 1662 O O   . HOH   G 6 .   ? -19.424 -4.311  -21.997 1.00 14.85 ? 354 HOH   B O   1 
HETATM 1663 O O   . HOH   G 6 .   ? -35.504 -17.139 -8.107  1.00 38.92 ? 355 HOH   B O   1 
HETATM 1664 O O   . HOH   G 6 .   ? -40.745 -14.444 -8.385  1.00 28.46 ? 356 HOH   B O   1 
HETATM 1665 O O   . HOH   G 6 .   ? -19.844 1.918   -30.463 1.00 32.08 ? 357 HOH   B O   1 
HETATM 1666 O O   . HOH   G 6 .   ? -34.122 -21.965 -31.400 1.00 18.69 ? 358 HOH   B O   1 
HETATM 1667 O O   . HOH   G 6 .   ? -16.690 -5.657  -9.265  1.00 31.62 ? 359 HOH   B O   1 
HETATM 1668 O O   . HOH   G 6 .   ? -27.799 -27.439 -25.876 1.00 26.69 ? 360 HOH   B O   1 
HETATM 1669 O O   . HOH   G 6 .   ? -36.258 -1.770  -33.772 1.00 17.84 ? 361 HOH   B O   1 
HETATM 1670 O O   . HOH   G 6 .   ? -38.497 3.850   -42.170 1.00 23.17 ? 362 HOH   B O   1 
HETATM 1671 O O   . HOH   G 6 .   ? -10.394 -23.556 -21.829 1.00 29.65 ? 363 HOH   B O   1 
HETATM 1672 O O   . HOH   G 6 .   ? -26.761 -17.687 -7.744  1.00 15.60 ? 364 HOH   B O   1 
HETATM 1673 O O   . HOH   G 6 .   ? -26.554 1.951   -10.923 1.00 26.60 ? 365 HOH   B O   1 
HETATM 1674 O O   . HOH   G 6 .   ? -27.179 -20.312 -6.994  1.00 16.48 ? 366 HOH   B O   1 
HETATM 1675 O O   . HOH   G 6 .   ? -40.268 -14.329 -31.417 1.00 13.63 ? 367 HOH   B O   1 
HETATM 1676 O O   . HOH   G 6 .   ? -42.238 -3.896  -39.398 1.00 21.45 ? 368 HOH   B O   1 
HETATM 1677 O O   . HOH   G 6 .   ? -43.749 -0.544  -24.247 1.00 25.09 ? 369 HOH   B O   1 
HETATM 1678 O O   . HOH   G 6 .   ? -17.895 -4.430  -5.861  1.00 38.40 ? 370 HOH   B O   1 
HETATM 1679 O O   . HOH   G 6 .   ? -23.290 2.333   -22.888 1.00 28.67 ? 371 HOH   B O   1 
HETATM 1680 O O   . HOH   G 6 .   ? -25.689 -14.301 -3.087  1.00 29.41 ? 372 HOH   B O   1 
HETATM 1681 O O   . HOH   G 6 .   ? -20.940 -16.380 -5.473  1.00 16.97 ? 373 HOH   B O   1 
HETATM 1682 O O   . HOH   G 6 .   ? -36.546 -0.975  -22.030 1.00 12.83 ? 374 HOH   B O   1 
HETATM 1683 O O   . HOH   G 6 .   ? -32.283 -5.018  -12.864 1.00 13.28 ? 375 HOH   B O   1 
HETATM 1684 O O   . HOH   G 6 .   ? -42.600 -5.777  -12.150 1.00 18.59 ? 376 HOH   B O   1 
HETATM 1685 O O   . HOH   G 6 .   ? -41.034 -6.012  -37.974 1.00 24.20 ? 377 HOH   B O   1 
HETATM 1686 O O   . HOH   G 6 .   ? -33.435 -1.826  -38.361 1.00 25.95 ? 378 HOH   B O   1 
HETATM 1687 O O   . HOH   G 6 .   ? -9.428  -20.747 -28.838 1.00 38.89 ? 379 HOH   B O   1 
HETATM 1688 O O   . HOH   G 6 .   ? -41.110 -8.802  -19.391 1.00 14.52 ? 380 HOH   B O   1 
HETATM 1689 O O   . HOH   G 6 .   ? -19.172 -29.180 -23.450 1.00 25.70 ? 381 HOH   B O   1 
HETATM 1690 O O   . HOH   G 6 .   ? -33.910 -21.825 -36.682 1.00 39.37 ? 382 HOH   B O   1 
HETATM 1691 O O   . HOH   G 6 .   ? -37.060 0.798   -15.490 1.00 15.10 ? 383 HOH   B O   1 
HETATM 1692 O O   . HOH   G 6 .   ? -36.315 5.630   -15.931 1.00 24.88 ? 384 HOH   B O   1 
HETATM 1693 O O   . HOH   G 6 .   ? -18.253 -17.299 -36.259 1.00 25.42 ? 385 HOH   B O   1 
HETATM 1694 O O   . HOH   G 6 .   ? -35.482 -4.550  -42.146 1.00 21.91 ? 386 HOH   B O   1 
HETATM 1695 O O   . HOH   G 6 .   ? -25.345 -10.471 -23.527 1.00 12.00 ? 387 HOH   B O   1 
HETATM 1696 O O   . HOH   G 6 .   ? -41.688 -9.735  -43.759 1.00 28.61 ? 388 HOH   B O   1 
HETATM 1697 O O   . HOH   G 6 .   ? -45.969 -4.239  -33.922 1.00 18.83 ? 389 HOH   B O   1 
HETATM 1698 O O   . HOH   G 6 .   ? -24.022 -12.431 -6.515  1.00 18.93 ? 390 HOH   B O   1 
HETATM 1699 O O   . HOH   G 6 .   ? -45.719 -19.600 -31.672 1.00 27.04 ? 391 HOH   B O   1 
HETATM 1700 O O   . HOH   G 6 .   ? -33.443 -14.982 -6.964  1.00 21.95 ? 392 HOH   B O   1 
HETATM 1701 O O   . HOH   G 6 .   ? -25.769 -26.977 -23.866 1.00 17.10 ? 393 HOH   B O   1 
HETATM 1702 O O   . HOH   G 6 .   ? -23.735 -21.071 -38.844 1.00 21.79 ? 394 HOH   B O   1 
HETATM 1703 O O   . HOH   G 6 .   ? -14.981 -19.768 -37.545 1.00 25.28 ? 395 HOH   B O   1 
HETATM 1704 O O   . HOH   G 6 .   ? -31.541 3.442   -26.761 1.00 22.52 ? 396 HOH   B O   1 
HETATM 1705 O O   . HOH   G 6 .   ? -12.720 -18.502 -34.744 1.00 37.27 ? 397 HOH   B O   1 
HETATM 1706 O O   . HOH   G 6 .   ? -9.382  -16.011 -26.506 1.00 28.27 ? 398 HOH   B O   1 
HETATM 1707 O O   . HOH   G 6 .   ? -41.508 -8.488  -13.253 1.00 17.94 ? 399 HOH   B O   1 
HETATM 1708 O O   . HOH   G 6 .   ? -45.813 -14.579 -27.659 1.00 33.71 ? 400 HOH   B O   1 
HETATM 1709 O O   . HOH   G 6 .   ? -24.865 -15.063 -6.792  1.00 15.94 ? 401 HOH   B O   1 
HETATM 1710 O O   . HOH   G 6 .   ? -39.965 6.287   -26.263 1.00 46.09 ? 402 HOH   B O   1 
HETATM 1711 O O   . HOH   G 6 .   ? -39.951 2.672   -16.026 1.00 15.99 ? 403 HOH   B O   1 
HETATM 1712 O O   . HOH   G 6 .   ? -34.791 -9.057  -6.059  1.00 44.31 ? 404 HOH   B O   1 
HETATM 1713 O O   . HOH   G 6 .   ? -28.842 7.882   -29.946 1.00 31.27 ? 405 HOH   B O   1 
HETATM 1714 O O   . HOH   G 6 .   ? -31.056 4.084   -24.240 1.00 24.46 ? 406 HOH   B O   1 
HETATM 1715 O O   . HOH   G 6 .   ? -14.402 -16.488 -33.087 1.00 28.74 ? 407 HOH   B O   1 
HETATM 1716 O O   . HOH   G 6 .   ? -17.963 -16.085 -6.152  1.00 23.45 ? 408 HOH   B O   1 
HETATM 1717 O O   . HOH   G 6 .   ? -38.661 3.915   -13.721 1.00 35.86 ? 409 HOH   B O   1 
HETATM 1718 O O   . HOH   G 6 .   ? -17.900 -11.106 -35.552 1.00 26.42 ? 410 HOH   B O   1 
HETATM 1719 O O   . HOH   G 6 .   ? -24.247 -4.191  -36.847 1.00 34.07 ? 411 HOH   B O   1 
HETATM 1720 O O   . HOH   G 6 .   ? -41.297 5.348   -28.309 1.00 25.10 ? 412 HOH   B O   1 
HETATM 1721 O O   . HOH   G 6 .   ? -21.207 -5.740  -2.244  1.00 47.02 ? 413 HOH   B O   1 
HETATM 1722 O O   . HOH   G 6 .   ? -42.417 -4.976  -43.662 1.00 21.58 ? 414 HOH   B O   1 
HETATM 1723 O O   . HOH   G 6 .   ? -16.013 -14.717 -8.610  1.00 33.21 ? 415 HOH   B O   1 
HETATM 1724 O O   . HOH   G 6 .   ? -13.248 -6.332  -29.181 1.00 31.14 ? 416 HOH   B O   1 
HETATM 1725 O O   . HOH   G 6 .   ? -40.828 6.378   -33.031 1.00 31.00 ? 417 HOH   B O   1 
HETATM 1726 O O   . HOH   G 6 .   ? -24.772 -11.117 -4.128  1.00 23.92 ? 418 HOH   B O   1 
HETATM 1727 O O   . HOH   G 6 .   ? -52.481 -14.278 -28.998 1.00 42.25 ? 419 HOH   B O   1 
HETATM 1728 O O   . HOH   G 6 .   ? -25.159 7.074   -28.892 1.00 28.93 ? 420 HOH   B O   1 
HETATM 1729 O O   . HOH   G 6 .   ? -36.321 -0.058  -41.878 1.00 37.86 ? 421 HOH   B O   1 
HETATM 1730 O O   . HOH   G 6 .   ? -43.332 3.796   -18.756 1.00 20.50 ? 422 HOH   B O   1 
HETATM 1731 O O   . HOH   G 6 .   ? -34.297 -7.192  -7.839  1.00 31.36 ? 423 HOH   B O   1 
HETATM 1732 O O   . HOH   G 6 .   ? -40.326 -7.419  -34.860 1.00 19.21 ? 424 HOH   B O   1 
HETATM 1733 O O   . HOH   G 6 .   ? -15.887 -12.267 -5.614  1.00 43.27 ? 425 HOH   B O   1 
HETATM 1734 O O   . HOH   G 6 .   ? -19.910 2.341   -23.926 1.00 37.42 ? 426 HOH   B O   1 
HETATM 1735 O O   . HOH   G 6 .   ? -16.039 -7.450  -11.243 1.00 29.73 ? 427 HOH   B O   1 
HETATM 1736 O O   . HOH   G 6 .   ? -30.859 -17.452 -42.710 1.00 36.19 ? 428 HOH   B O   1 
HETATM 1737 O O   . HOH   G 6 .   ? -32.758 -23.597 -33.330 1.00 36.12 ? 429 HOH   B O   1 
HETATM 1738 O O   . HOH   G 6 .   ? -47.761 0.000   -32.825 0.50 21.92 ? 430 HOH   B O   1 
HETATM 1739 O O   . HOH   G 6 .   ? -36.683 -6.621  -8.855  1.00 28.16 ? 431 HOH   B O   1 
HETATM 1740 O O   . HOH   G 6 .   ? -34.371 5.543   -18.122 1.00 35.03 ? 432 HOH   B O   1 
HETATM 1741 O O   . HOH   G 6 .   ? -8.465  -23.033 -30.205 1.00 29.69 ? 433 HOH   B O   1 
HETATM 1742 O O   . HOH   G 6 .   ? -21.661 6.901   -32.206 1.00 30.01 ? 434 HOH   B O   1 
HETATM 1743 O O   . HOH   G 6 .   ? -40.245 5.120   -22.055 1.00 28.11 ? 435 HOH   B O   1 
HETATM 1744 O O   . HOH   G 6 .   ? -26.280 -28.170 -21.471 1.00 37.73 ? 436 HOH   B O   1 
HETATM 1745 O O   . HOH   G 6 .   ? -41.478 -15.387 -17.674 1.00 49.54 ? 437 HOH   B O   1 
HETATM 1746 O O   . HOH   G 6 .   ? -22.858 3.394   -20.591 1.00 36.51 ? 438 HOH   B O   1 
HETATM 1747 O O   . HOH   G 6 .   ? -36.703 2.255   -43.125 1.00 36.95 ? 439 HOH   B O   1 
HETATM 1748 O O   . HOH   G 6 .   ? -38.730 -16.510 -40.917 1.00 35.97 ? 440 HOH   B O   1 
HETATM 1749 O O   . HOH   G 6 .   ? -15.936 -22.353 -14.538 1.00 28.03 ? 441 HOH   B O   1 
HETATM 1750 O O   . HOH   G 6 .   ? -42.245 -12.877 -22.403 1.00 29.48 ? 442 HOH   B O   1 
HETATM 1751 O O   . HOH   G 6 .   ? -28.415 -27.788 -16.874 1.00 24.24 ? 443 HOH   B O   1 
HETATM 1752 O O   . HOH   G 6 .   ? -16.099 -26.913 -17.206 1.00 36.65 ? 444 HOH   B O   1 
HETATM 1753 O O   . HOH   G 6 .   ? -26.405 -31.157 -23.951 1.00 26.45 ? 445 HOH   B O   1 
# 
