data_9HGF
# 
_entry.id   9HGF 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.403 
_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   9HGF         pdb_00009hgf 10.2210/pdb9hgf/pdb 
WWPDB D_1292143246 ?            ?                   
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
_pdbx_audit_revision_history.part_number 
1 'Structure model' 1 0 2025-04-02 ? 
2 'Structure model' 1 1 2025-04-16 ? 
# 
_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_audit_revision_group.ordinal             1 
_pdbx_audit_revision_group.revision_ordinal    2 
_pdbx_audit_revision_group.data_content_type   'Structure model' 
_pdbx_audit_revision_group.group               'Database references' 
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1 2 'Structure model' citation        
2 2 'Structure model' citation_author 
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1 2 'Structure model' '_citation.page_first'              
2 2 'Structure model' '_citation.page_last'               
3 2 'Structure model' '_citation.title'                   
4 2 'Structure model' '_citation_author.identifier_ORCID' 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9HGF 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-19 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           N 
# 
loop_
_pdbx_contact_author.id 
_pdbx_contact_author.email 
_pdbx_contact_author.name_first 
_pdbx_contact_author.name_last 
_pdbx_contact_author.name_mi 
_pdbx_contact_author.role 
_pdbx_contact_author.identifier_ORCID 
3 Oliver.Einsle@BIOCHEMIE.uni-freiburg.de   Oliver Einsle   ? 'principal investigator/group leader' 0000-0001-8722-2893 
4 stefan.guenther@pharmazie.uni-freiburg.de Stefan Guenther ? 'principal investigator/group leader' 0000-0003-3744-189X 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Amann, M.'    1 0000-0001-7594-3810 
'Huegle, M.'   2 0000-0002-2830-7130 
'Einsle, O.'   3 0000-0001-8722-2893 
'Guenther, S.' 4 0000-0003-3744-189X 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   DE 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Chemmedchem 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           1860-7187 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                e2500024 
_citation.page_last                 e2500024 
_citation.title                     
'A Novel Inhibitor against the Bromodomain Protein 1 of the Malaria Pathogen Plasmodium Falciparum.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1002/cmdc.202500024 
_citation.pdbx_database_id_PubMed   40099623 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Amann, M.'        1  0000-0001-7594-3810 
primary 'Warstat, R.'      2  ?                   
primary 'Rechten, K.K.'    3  ?                   
primary 'Theuer, P.'       4  ?                   
primary 'Schustereder, M.' 5  ?                   
primary 'Clavey, S.'       6  ?                   
primary 'Breit, B.'        7  0000-0002-2514-3898 
primary 'Einsle, O.'       8  0000-0001-8722-2893 
primary 'Hugle, M.'        9  0000-0002-2830-7130 
primary 'Petter, M.'       10 0000-0002-1837-2756 
primary 'Gunther, S.'      11 0000-0003-3744-189X 
# 
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 'Bromo domain-containing protein'                                                                      15163.188 
1  ? ? ? ? 
2 non-polymer syn '3,5-dimethyl-4-(3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-1-yl)benzamide' 310.390   
1  ? ? ? ? 
3 non-polymer syn 'SULFATE ION'                                                                                          96.063    
1  ? ? ? ? 
4 non-polymer syn 'CHLORIDE ION'                                                                                         35.453    
1  ? ? ? ? 
5 water       nat water                                                                                                  18.015    
86 ? ? ? ? 
# 
_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       
;SFNKQWYLLANQIIQSLSKYEGGHIFEKLVDAKKQNCPDYYDVIKNPMSFSCVKTKLKKGQYGLPTEFIKDVQLIFDNCS
LYNTSGSLVAITGKNIEAYFNNQLIVTGYNNFVTKANTINERLQKVEDENLE
;
_entity_poly.pdbx_seq_one_letter_code_can   
;SFNKQWYLLANQIIQSLSKYEGGHIFEKLVDAKKQNCPDYYDVIKNPMSFSCVKTKLKKGQYGLPTEFIKDVQLIFDNCS
LYNTSGSLVAITGKNIEAYFNNQLIVTGYNNFVTKANTINERLQKVEDENLE
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 '3,5-dimethyl-4-(3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-1-yl)benzamide' A1IUH 
3 'SULFATE ION'                                                                                          SO4   
4 'CHLORIDE ION'                                                                                         CL    
5 water                                                                                                  HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   SER n 
1 2   PHE n 
1 3   ASN n 
1 4   LYS n 
1 5   GLN n 
1 6   TRP n 
1 7   TYR n 
1 8   LEU n 
1 9   LEU n 
1 10  ALA n 
1 11  ASN n 
1 12  GLN n 
1 13  ILE n 
1 14  ILE n 
1 15  GLN n 
1 16  SER n 
1 17  LEU n 
1 18  SER n 
1 19  LYS n 
1 20  TYR n 
1 21  GLU n 
1 22  GLY n 
1 23  GLY n 
1 24  HIS n 
1 25  ILE n 
1 26  PHE n 
1 27  GLU n 
1 28  LYS n 
1 29  LEU n 
1 30  VAL n 
1 31  ASP n 
1 32  ALA n 
1 33  LYS n 
1 34  LYS n 
1 35  GLN n 
1 36  ASN n 
1 37  CYS n 
1 38  PRO n 
1 39  ASP n 
1 40  TYR n 
1 41  TYR n 
1 42  ASP n 
1 43  VAL n 
1 44  ILE n 
1 45  LYS n 
1 46  ASN n 
1 47  PRO n 
1 48  MET n 
1 49  SER n 
1 50  PHE n 
1 51  SER n 
1 52  CYS n 
1 53  VAL n 
1 54  LYS n 
1 55  THR n 
1 56  LYS n 
1 57  LEU n 
1 58  LYS n 
1 59  LYS n 
1 60  GLY n 
1 61  GLN n 
1 62  TYR n 
1 63  GLY n 
1 64  LEU n 
1 65  PRO n 
1 66  THR n 
1 67  GLU n 
1 68  PHE n 
1 69  ILE n 
1 70  LYS n 
1 71  ASP n 
1 72  VAL n 
1 73  GLN n 
1 74  LEU n 
1 75  ILE n 
1 76  PHE n 
1 77  ASP n 
1 78  ASN n 
1 79  CYS n 
1 80  SER n 
1 81  LEU n 
1 82  TYR n 
1 83  ASN n 
1 84  THR n 
1 85  SER n 
1 86  GLY n 
1 87  SER n 
1 88  LEU n 
1 89  VAL n 
1 90  ALA n 
1 91  ILE n 
1 92  THR n 
1 93  GLY n 
1 94  LYS n 
1 95  ASN n 
1 96  ILE n 
1 97  GLU n 
1 98  ALA n 
1 99  TYR n 
1 100 PHE n 
1 101 ASN n 
1 102 ASN n 
1 103 GLN n 
1 104 LEU n 
1 105 ILE n 
1 106 VAL n 
1 107 THR n 
1 108 GLY n 
1 109 TYR n 
1 110 ASN n 
1 111 ASN n 
1 112 PHE n 
1 113 VAL n 
1 114 THR n 
1 115 LYS n 
1 116 ALA n 
1 117 ASN n 
1 118 THR n 
1 119 ILE n 
1 120 ASN n 
1 121 GLU n 
1 122 ARG n 
1 123 LEU n 
1 124 GLN n 
1 125 LYS n 
1 126 VAL n 
1 127 GLU n 
1 128 ASP n 
1 129 GLU n 
1 130 ASN n 
1 131 LEU n 
1 132 GLU 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                   132 
_entity_src_gen.gene_src_common_name               'malaria parasite P. vivax' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 PVX_111040 
_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      'Plasmodium vivax' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     5855 
_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 
A1IUH non-polymer         . '3,5-dimethyl-4-(3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-1-yl)benzamide' 
? 'C19 H22 N2 O2'  310.390 
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 
CL    non-polymer         . 'CHLORIDE ION'                                                                                         
? 'Cl -1'          35.453  
CYS   'L-peptide linking' y CYSTEINE                                                                                               
? 'C3 H7 N O2 S'   121.158 
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   SER 1   1   1   SER SER A . n 
A 1 2   PHE 2   2   2   PHE PHE A . n 
A 1 3   ASN 3   3   3   ASN ASN A . n 
A 1 4   LYS 4   4   4   LYS LYS A . n 
A 1 5   GLN 5   5   5   GLN GLN A . n 
A 1 6   TRP 6   6   6   TRP TRP A . n 
A 1 7   TYR 7   7   7   TYR TYR A . n 
A 1 8   LEU 8   8   8   LEU LEU A . n 
A 1 9   LEU 9   9   9   LEU LEU A . n 
A 1 10  ALA 10  10  10  ALA ALA A . n 
A 1 11  ASN 11  11  11  ASN ASN A . n 
A 1 12  GLN 12  12  12  GLN GLN A . n 
A 1 13  ILE 13  13  13  ILE ILE A . n 
A 1 14  ILE 14  14  14  ILE ILE A . n 
A 1 15  GLN 15  15  15  GLN GLN A . n 
A 1 16  SER 16  16  16  SER SER A . n 
A 1 17  LEU 17  17  17  LEU LEU A . n 
A 1 18  SER 18  18  18  SER SER A . n 
A 1 19  LYS 19  19  19  LYS LYS A . n 
A 1 20  TYR 20  20  20  TYR TYR A . n 
A 1 21  GLU 21  21  21  GLU GLU A . n 
A 1 22  GLY 22  22  22  GLY GLY A . n 
A 1 23  GLY 23  23  23  GLY GLY A . n 
A 1 24  HIS 24  24  24  HIS HIS A . n 
A 1 25  ILE 25  25  25  ILE ILE A . n 
A 1 26  PHE 26  26  26  PHE PHE A . n 
A 1 27  GLU 27  27  27  GLU GLU A . n 
A 1 28  LYS 28  28  28  LYS LYS A . n 
A 1 29  LEU 29  29  29  LEU LEU A . n 
A 1 30  VAL 30  30  30  VAL VAL A . n 
A 1 31  ASP 31  31  31  ASP ASP A . n 
A 1 32  ALA 32  32  32  ALA ALA A . n 
A 1 33  LYS 33  33  33  LYS LYS A . n 
A 1 34  LYS 34  34  34  LYS LYS A . n 
A 1 35  GLN 35  35  35  GLN GLN A . n 
A 1 36  ASN 36  36  36  ASN ASN A . n 
A 1 37  CYS 37  37  37  CYS CYS A . n 
A 1 38  PRO 38  38  38  PRO PRO A . n 
A 1 39  ASP 39  39  39  ASP ASP A . n 
A 1 40  TYR 40  40  40  TYR TYR A . n 
A 1 41  TYR 41  41  41  TYR TYR A . n 
A 1 42  ASP 42  42  42  ASP ASP A . n 
A 1 43  VAL 43  43  43  VAL VAL A . n 
A 1 44  ILE 44  44  44  ILE ILE A . n 
A 1 45  LYS 45  45  45  LYS LYS A . n 
A 1 46  ASN 46  46  46  ASN ASN A . n 
A 1 47  PRO 47  47  47  PRO PRO A . n 
A 1 48  MET 48  48  48  MET MET A . n 
A 1 49  SER 49  49  49  SER SER A . n 
A 1 50  PHE 50  50  50  PHE PHE A . n 
A 1 51  SER 51  51  51  SER SER A . n 
A 1 52  CYS 52  52  52  CYS CYS A . n 
A 1 53  VAL 53  53  53  VAL VAL A . n 
A 1 54  LYS 54  54  54  LYS LYS A . n 
A 1 55  THR 55  55  55  THR THR A . n 
A 1 56  LYS 56  56  56  LYS LYS A . n 
A 1 57  LEU 57  57  57  LEU LEU A . n 
A 1 58  LYS 58  58  58  LYS LYS A . n 
A 1 59  LYS 59  59  59  LYS LYS A . n 
A 1 60  GLY 60  60  60  GLY GLY A . n 
A 1 61  GLN 61  61  61  GLN GLN A . n 
A 1 62  TYR 62  62  62  TYR TYR A . n 
A 1 63  GLY 63  63  63  GLY GLY A . n 
A 1 64  LEU 64  64  64  LEU LEU A . n 
A 1 65  PRO 65  65  65  PRO PRO A . n 
A 1 66  THR 66  66  66  THR THR A . n 
A 1 67  GLU 67  67  67  GLU GLU A . n 
A 1 68  PHE 68  68  68  PHE PHE A . n 
A 1 69  ILE 69  69  69  ILE ILE A . n 
A 1 70  LYS 70  70  70  LYS LYS A . n 
A 1 71  ASP 71  71  71  ASP ASP A . n 
A 1 72  VAL 72  72  72  VAL VAL A . n 
A 1 73  GLN 73  73  73  GLN GLN A . n 
A 1 74  LEU 74  74  74  LEU LEU A . n 
A 1 75  ILE 75  75  75  ILE ILE A . n 
A 1 76  PHE 76  76  76  PHE PHE A . n 
A 1 77  ASP 77  77  77  ASP ASP A . n 
A 1 78  ASN 78  78  78  ASN ASN A . n 
A 1 79  CYS 79  79  79  CYS CYS A . n 
A 1 80  SER 80  80  80  SER SER A . n 
A 1 81  LEU 81  81  81  LEU LEU A . n 
A 1 82  TYR 82  82  82  TYR TYR A . n 
A 1 83  ASN 83  83  83  ASN ASN A . n 
A 1 84  THR 84  84  84  THR THR A . n 
A 1 85  SER 85  85  85  SER SER A . n 
A 1 86  GLY 86  86  86  GLY GLY A . n 
A 1 87  SER 87  87  87  SER SER A . n 
A 1 88  LEU 88  88  88  LEU LEU A . n 
A 1 89  VAL 89  89  89  VAL VAL A . n 
A 1 90  ALA 90  90  90  ALA ALA A . n 
A 1 91  ILE 91  91  91  ILE ILE A . n 
A 1 92  THR 92  92  92  THR THR A . n 
A 1 93  GLY 93  93  93  GLY GLY A . n 
A 1 94  LYS 94  94  94  LYS LYS A . n 
A 1 95  ASN 95  95  95  ASN ASN A . n 
A 1 96  ILE 96  96  96  ILE ILE A . n 
A 1 97  GLU 97  97  97  GLU GLU A . n 
A 1 98  ALA 98  98  98  ALA ALA A . n 
A 1 99  TYR 99  99  99  TYR TYR A . n 
A 1 100 PHE 100 100 100 PHE PHE A . n 
A 1 101 ASN 101 101 101 ASN ASN A . n 
A 1 102 ASN 102 102 102 ASN ASN A . n 
A 1 103 GLN 103 103 103 GLN GLN A . n 
A 1 104 LEU 104 104 104 LEU LEU A . n 
A 1 105 ILE 105 105 105 ILE ILE A . n 
A 1 106 VAL 106 106 106 VAL VAL A . n 
A 1 107 THR 107 107 107 THR THR A . n 
A 1 108 GLY 108 108 108 GLY GLY A . n 
A 1 109 TYR 109 109 109 TYR TYR A . n 
A 1 110 ASN 110 110 110 ASN ASN A . n 
A 1 111 ASN 111 111 111 ASN ASN A . n 
A 1 112 PHE 112 112 112 PHE PHE A . n 
A 1 113 VAL 113 113 113 VAL VAL A . n 
A 1 114 THR 114 114 114 THR THR A . n 
A 1 115 LYS 115 115 115 LYS LYS A . n 
A 1 116 ALA 116 116 116 ALA ALA A . n 
A 1 117 ASN 117 117 117 ASN ASN A . n 
A 1 118 THR 118 118 118 THR THR A . n 
A 1 119 ILE 119 119 119 ILE ILE A . n 
A 1 120 ASN 120 120 120 ASN ASN A . n 
A 1 121 GLU 121 121 121 GLU GLU A . n 
A 1 122 ARG 122 122 ?   ?   ?   A . n 
A 1 123 LEU 123 123 ?   ?   ?   A . n 
A 1 124 GLN 124 124 ?   ?   ?   A . n 
A 1 125 LYS 125 125 ?   ?   ?   A . n 
A 1 126 VAL 126 126 ?   ?   ?   A . n 
A 1 127 GLU 127 127 ?   ?   ?   A . n 
A 1 128 ASP 128 128 ?   ?   ?   A . n 
A 1 129 GLU 129 129 ?   ?   ?   A . n 
A 1 130 ASN 130 130 ?   ?   ?   A . n 
A 1 131 LEU 131 131 ?   ?   ?   A . n 
A 1 132 GLU 132 132 ?   ?   ?   A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1IUH 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1IUH 
_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 A1IUH 1  201 201 A1IUH 198 A . 
C 3 SO4   1  202 1   SO4   SO4 A . 
D 4 CL    1  203 1   CL    CL  A . 
E 5 HOH   1  301 23  HOH   HOH A . 
E 5 HOH   2  302 31  HOH   HOH A . 
E 5 HOH   3  303 88  HOH   HOH A . 
E 5 HOH   4  304 65  HOH   HOH A . 
E 5 HOH   5  305 54  HOH   HOH A . 
E 5 HOH   6  306 14  HOH   HOH A . 
E 5 HOH   7  307 18  HOH   HOH A . 
E 5 HOH   8  308 20  HOH   HOH A . 
E 5 HOH   9  309 37  HOH   HOH A . 
E 5 HOH   10 310 63  HOH   HOH A . 
E 5 HOH   11 311 64  HOH   HOH A . 
E 5 HOH   12 312 46  HOH   HOH A . 
E 5 HOH   13 313 81  HOH   HOH A . 
E 5 HOH   14 314 66  HOH   HOH A . 
E 5 HOH   15 315 7   HOH   HOH A . 
E 5 HOH   16 316 5   HOH   HOH A . 
E 5 HOH   17 317 36  HOH   HOH A . 
E 5 HOH   18 318 3   HOH   HOH A . 
E 5 HOH   19 319 10  HOH   HOH A . 
E 5 HOH   20 320 6   HOH   HOH A . 
E 5 HOH   21 321 61  HOH   HOH A . 
E 5 HOH   22 322 86  HOH   HOH A . 
E 5 HOH   23 323 71  HOH   HOH A . 
E 5 HOH   24 324 49  HOH   HOH A . 
E 5 HOH   25 325 29  HOH   HOH A . 
E 5 HOH   26 326 9   HOH   HOH A . 
E 5 HOH   27 327 68  HOH   HOH A . 
E 5 HOH   28 328 11  HOH   HOH A . 
E 5 HOH   29 329 32  HOH   HOH A . 
E 5 HOH   30 330 8   HOH   HOH A . 
E 5 HOH   31 331 43  HOH   HOH A . 
E 5 HOH   32 332 73  HOH   HOH A . 
E 5 HOH   33 333 1   HOH   HOH A . 
E 5 HOH   34 334 35  HOH   HOH A . 
E 5 HOH   35 335 85  HOH   HOH A . 
E 5 HOH   36 336 12  HOH   HOH A . 
E 5 HOH   37 337 59  HOH   HOH A . 
E 5 HOH   38 338 24  HOH   HOH A . 
E 5 HOH   39 339 13  HOH   HOH A . 
E 5 HOH   40 340 55  HOH   HOH A . 
E 5 HOH   41 341 87  HOH   HOH A . 
E 5 HOH   42 342 26  HOH   HOH A . 
E 5 HOH   43 343 25  HOH   HOH A . 
E 5 HOH   44 344 2   HOH   HOH A . 
E 5 HOH   45 345 83  HOH   HOH A . 
E 5 HOH   46 346 4   HOH   HOH A . 
E 5 HOH   47 347 19  HOH   HOH A . 
E 5 HOH   48 348 50  HOH   HOH A . 
E 5 HOH   49 349 38  HOH   HOH A . 
E 5 HOH   50 350 62  HOH   HOH A . 
E 5 HOH   51 351 17  HOH   HOH A . 
E 5 HOH   52 352 60  HOH   HOH A . 
E 5 HOH   53 353 74  HOH   HOH A . 
E 5 HOH   54 354 28  HOH   HOH A . 
E 5 HOH   55 355 21  HOH   HOH A . 
E 5 HOH   56 356 15  HOH   HOH A . 
E 5 HOH   57 357 30  HOH   HOH A . 
E 5 HOH   58 358 16  HOH   HOH A . 
E 5 HOH   59 359 44  HOH   HOH A . 
E 5 HOH   60 360 58  HOH   HOH A . 
E 5 HOH   61 361 69  HOH   HOH A . 
E 5 HOH   62 362 34  HOH   HOH A . 
E 5 HOH   63 363 39  HOH   HOH A . 
E 5 HOH   64 364 77  HOH   HOH A . 
E 5 HOH   65 365 75  HOH   HOH A . 
E 5 HOH   66 366 80  HOH   HOH A . 
E 5 HOH   67 367 57  HOH   HOH A . 
E 5 HOH   68 368 67  HOH   HOH A . 
E 5 HOH   69 369 48  HOH   HOH A . 
E 5 HOH   70 370 51  HOH   HOH A . 
E 5 HOH   71 371 33  HOH   HOH A . 
E 5 HOH   72 372 79  HOH   HOH A . 
E 5 HOH   73 373 78  HOH   HOH A . 
E 5 HOH   74 374 76  HOH   HOH A . 
E 5 HOH   75 375 72  HOH   HOH A . 
E 5 HOH   76 376 56  HOH   HOH A . 
E 5 HOH   77 377 41  HOH   HOH A . 
E 5 HOH   78 378 82  HOH   HOH A . 
E 5 HOH   79 379 47  HOH   HOH A . 
E 5 HOH   80 380 27  HOH   HOH A . 
E 5 HOH   81 381 45  HOH   HOH A . 
E 5 HOH   82 382 40  HOH   HOH A . 
E 5 HOH   83 383 70  HOH   HOH A . 
E 5 HOH   84 384 22  HOH   HOH A . 
E 5 HOH   85 385 84  HOH   HOH A . 
E 5 HOH   86 386 52  HOH   HOH A . 
# 
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 A LYS 33  ? CD  ? A LYS 33  CD  
2  1 Y 1 A LYS 33  ? CE  ? A LYS 33  CE  
3  1 Y 1 A LYS 33  ? NZ  ? A LYS 33  NZ  
4  1 Y 1 A LYS 34  ? CD  ? A LYS 34  CD  
5  1 Y 1 A LYS 34  ? CE  ? A LYS 34  CE  
6  1 Y 1 A LYS 34  ? NZ  ? A LYS 34  NZ  
7  1 Y 1 A LYS 70  ? CE  ? A LYS 70  CE  
8  1 Y 1 A LYS 70  ? NZ  ? A LYS 70  NZ  
9  1 Y 1 A LYS 115 ? CD  ? A LYS 115 CD  
10 1 Y 1 A LYS 115 ? CE  ? A LYS 115 CE  
11 1 Y 1 A LYS 115 ? NZ  ? A LYS 115 NZ  
12 1 Y 1 A GLU 121 ? CG  ? A GLU 121 CG  
13 1 Y 1 A GLU 121 ? CD  ? A GLU 121 CD  
14 1 Y 1 A GLU 121 ? OE1 ? A GLU 121 OE1 
15 1 Y 1 A GLU 121 ? OE2 ? A GLU 121 OE2 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement        ? ? ? ? ? ? ? ? ? ? ? PHENIX      ? ? ? 1.21_5207 1 
? 'data scaling'    ? ? ? ? ? ? ? ? ? ? ? Aimless     ? ? ? .         2 
? phasing           ? ? ? ? ? ? ? ? ? ? ? PHASER      ? ? ? .         3 
? 'data reduction'  ? ? ? ? ? ? ? ? ? ? ? autoPROC    ? ? ? .         4 
? 'data extraction' ? ? ? ? ? ? ? ? ? ? ? PDB_EXTRACT ? ? ? .         5 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  120.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9HGF 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     92.798 
_cell.length_a_esd                 ? 
_cell.length_b                     92.798 
_cell.length_b_esd                 ? 
_cell.length_c                     70.721 
_cell.length_c_esd                 ? 
_cell.volume                       527419.591 
_cell.volume_esd                   ? 
_cell.Z_PDB                        12 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         9HGF 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                180 
_symmetry.space_group_name_Hall            'P 62 2 (x,y,z+1/3)' 
_symmetry.space_group_name_H-M             'P 62 2 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   9HGF 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.90 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          57.57 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '35% PEG 3350, 0.2M LiSO4, Tris pH 7.5' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            277 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER X 4M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2022-01-09 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.967697 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'ESRF BEAMLINE MASSIF-3' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.967697 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   MASSIF-3 
_diffrn_source.pdbx_synchrotron_site       ESRF 
# 
_reflns.B_iso_Wilson_estimate                          28.27 
_reflns.entry_id                                       9HGF 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.859 
_reflns.d_resolution_low                               80.365 
_reflns.details                                        ? 
_reflns.limit_h_max                                    ? 
_reflns.limit_h_min                                    ? 
_reflns.limit_k_max                                    ? 
_reflns.limit_k_min                                    ? 
_reflns.limit_l_max                                    ? 
_reflns.limit_l_min                                    ? 
_reflns.number_all                                     ? 
_reflns.number_obs                                     15625 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           99.9 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                37.3 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          20.6 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.136 
_reflns.pdbx_Rpim_I_all                                0.022 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   ? 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.134 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.859 
_reflns_shell.d_res_low                                     1.891 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           2.4 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             762 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               39.6 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               2.284 
_reflns_shell.pdbx_Rpim_I_all                               0.361 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  ? 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  2.255 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               40.19 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9HGF 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.86 
_refine.ls_d_res_low                             53.09 
_refine.ls_extinction_coef                       ? 
_refine.ls_extinction_coef_esd                   ? 
_refine.ls_extinction_expression                 ? 
_refine.ls_extinction_method                     ? 
_refine.ls_goodness_of_fit_all                   ? 
_refine.ls_goodness_of_fit_all_esd               ? 
_refine.ls_goodness_of_fit_obs                   ? 
_refine.ls_goodness_of_fit_obs_esd               ? 
_refine.ls_hydrogen_treatment                    ? 
_refine.ls_matrix_type                           ? 
_refine.ls_number_constraints                    ? 
_refine.ls_number_parameters                     ? 
_refine.ls_number_reflns_all                     ? 
_refine.ls_number_reflns_obs                     15583 
_refine.ls_number_reflns_R_free                  795 
_refine.ls_number_reflns_R_work                  14788 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.64 
_refine.ls_percent_reflns_R_free                 5.10 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2059 
_refine.ls_R_factor_R_free                       0.2344 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2044 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.35 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.1000 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 33.2695 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            0.2189 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.86 
_refine_hist.d_res_low                        53.09 
_refine_hist.number_atoms_solvent             86 
_refine_hist.number_atoms_total               1072 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        957 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         29 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.0126  ? 1019 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.0665  ? 1388 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0579  ? 151  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0064  ? 176  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 17.2198 ? 364  ? f_dihedral_angle_d ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.86 1.97  . . 102 2426 99.61 . . . . 0.3361 . . . . . . . . . . . 0.3260 
'X-RAY DIFFRACTION' 1.98 2.13  . . 149 2384 99.57 . . . . 0.2753 . . . . . . . . . . . 0.3279 
'X-RAY DIFFRACTION' 2.13 2.34  . . 128 2428 99.61 . . . . 0.2270 . . . . . . . . . . . 0.2819 
'X-RAY DIFFRACTION' 2.34 2.68  . . 135 2438 99.81 . . . . 0.2076 . . . . . . . . . . . 0.2488 
'X-RAY DIFFRACTION' 2.68 3.38  . . 145 2466 99.50 . . . . 0.2156 . . . . . . . . . . . 0.2505 
'X-RAY DIFFRACTION' 3.38 53.09 . . 136 2646 99.82 . . . . 0.1678 . . . . . . . . . . . 0.1835 
# 
_struct.entry_id                     9HGF 
_struct.title                        'Crystal Structure of the Plasmodium vivax Bromodomain PvBDP1 in complex with RMM25' 
_struct.pdbx_model_details           ? 
_struct.pdbx_formula_weight          ? 
_struct.pdbx_formula_weight_method   ? 
_struct.pdbx_model_type_details      ? 
_struct.pdbx_CASP_flag               N 
# 
_struct_keywords.entry_id        9HGF 
_struct_keywords.text            'plasmodium, bromodomain, inhibitor, complex, TRANSCRIPTION' 
_struct_keywords.pdbx_keywords   TRANSCRIPTION 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
E N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    A5KDW3_PLAVS 
_struct_ref.pdbx_db_accession          A5KDW3 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;FNKQWYLLANQIIQSLSKYEGGHIFEKLVDAKKQNCPDYYDVIKNPMSFSCVKTKLKKGQYGLPTEFIKDVQLIFDNCSL
YNTSGSLVAITGKNIEAYFNNQLIVTGYNNFVTKANTINERLQKVEDEN
;
_struct_ref.pdbx_align_begin           318 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9HGF 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 2 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 130 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             A5KDW3 
_struct_ref_seq.db_align_beg                  318 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  446 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       2 
_struct_ref_seq.pdbx_auth_seq_align_end       130 
# 
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 9HGF SER A 1   ? UNP A5KDW3 ? ? 'expression tag' 1   1 
1 9HGF LEU A 131 ? UNP A5KDW3 ? ? 'expression tag' 131 2 
1 9HGF GLU A 132 ? UNP A5KDW3 ? ? 'expression tag' 132 3 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 200  ? 
1 MORE         -14  ? 
1 'SSA (A^2)'  7080 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_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 SER A 1   ? LYS A 19  ? SER A 1   LYS A 19  1 ? 19 
HELX_P HELX_P2 AA2 GLY A 22  ? GLU A 27  ? GLY A 22  GLU A 27  5 ? 6  
HELX_P HELX_P3 AA3 ASP A 39  ? ILE A 44  ? ASP A 39  ILE A 44  1 ? 6  
HELX_P HELX_P4 AA4 SER A 49  ? GLY A 60  ? SER A 49  GLY A 60  1 ? 12 
HELX_P HELX_P5 AA5 LEU A 64  ? ASN A 83  ? LEU A 64  ASN A 83  1 ? 20 
HELX_P HELX_P6 AA6 SER A 87  ? THR A 107 ? SER A 87  THR A 107 1 ? 21 
HELX_P HELX_P7 AA7 GLY A 108 ? ASN A 120 ? GLY A 108 ASN A 120 1 ? 13 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_pdbx_entry_details.entry_id                   9HGF 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   O 
_pdbx_validate_close_contact.auth_asym_id_1   A 
_pdbx_validate_close_contact.auth_comp_id_1   HOH 
_pdbx_validate_close_contact.auth_seq_id_1    364 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   O 
_pdbx_validate_close_contact.auth_asym_id_2   A 
_pdbx_validate_close_contact.auth_comp_id_2   HOH 
_pdbx_validate_close_contact.auth_seq_id_2    373 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             2.19 
# 
loop_
_pdbx_validate_symm_contact.id 
_pdbx_validate_symm_contact.PDB_model_num 
_pdbx_validate_symm_contact.auth_atom_id_1 
_pdbx_validate_symm_contact.auth_asym_id_1 
_pdbx_validate_symm_contact.auth_comp_id_1 
_pdbx_validate_symm_contact.auth_seq_id_1 
_pdbx_validate_symm_contact.PDB_ins_code_1 
_pdbx_validate_symm_contact.label_alt_id_1 
_pdbx_validate_symm_contact.site_symmetry_1 
_pdbx_validate_symm_contact.auth_atom_id_2 
_pdbx_validate_symm_contact.auth_asym_id_2 
_pdbx_validate_symm_contact.auth_comp_id_2 
_pdbx_validate_symm_contact.auth_seq_id_2 
_pdbx_validate_symm_contact.PDB_ins_code_2 
_pdbx_validate_symm_contact.label_alt_id_2 
_pdbx_validate_symm_contact.site_symmetry_2 
_pdbx_validate_symm_contact.dist 
1 1 O A HOH 375 ? ? 1_555 O A HOH 375 ? ? 4_545  1.95 
2 1 O A HOH 385 ? ? 1_555 O A HOH 385 ? ? 10_554 2.11 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             C 
_pdbx_validate_rmsd_angle.auth_asym_id_1             A 
_pdbx_validate_rmsd_angle.auth_comp_id_1             SER 
_pdbx_validate_rmsd_angle.auth_seq_id_1              85 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             N 
_pdbx_validate_rmsd_angle.auth_asym_id_2             A 
_pdbx_validate_rmsd_angle.auth_comp_id_2             GLY 
_pdbx_validate_rmsd_angle.auth_seq_id_2              86 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             CA 
_pdbx_validate_rmsd_angle.auth_asym_id_3             A 
_pdbx_validate_rmsd_angle.auth_comp_id_3             GLY 
_pdbx_validate_rmsd_angle.auth_seq_id_3              86 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                105.69 
_pdbx_validate_rmsd_angle.angle_target_value         122.30 
_pdbx_validate_rmsd_angle.angle_deviation            -16.61 
_pdbx_validate_rmsd_angle.angle_standard_deviation   2.10 
_pdbx_validate_rmsd_angle.linker_flag                Y 
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    A 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     386 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   E 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
_pdbx_distant_solvent_atoms.id                                1 
_pdbx_distant_solvent_atoms.PDB_model_num                     1 
_pdbx_distant_solvent_atoms.auth_atom_id                      O 
_pdbx_distant_solvent_atoms.label_alt_id                      ? 
_pdbx_distant_solvent_atoms.auth_asym_id                      A 
_pdbx_distant_solvent_atoms.auth_comp_id                      HOH 
_pdbx_distant_solvent_atoms.auth_seq_id                       386 
_pdbx_distant_solvent_atoms.PDB_ins_code                      ? 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance   6.00 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance          . 
# 
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 A ARG 122 ? A ARG 122 
2  1 Y 1 A LEU 123 ? A LEU 123 
3  1 Y 1 A GLN 124 ? A GLN 124 
4  1 Y 1 A LYS 125 ? A LYS 125 
5  1 Y 1 A VAL 126 ? A VAL 126 
6  1 Y 1 A GLU 127 ? A GLU 127 
7  1 Y 1 A ASP 128 ? A ASP 128 
8  1 Y 1 A GLU 129 ? A GLU 129 
9  1 Y 1 A ASN 130 ? A ASN 130 
10 1 Y 1 A LEU 131 ? A LEU 131 
11 1 Y 1 A GLU 132 ? A GLU 132 
# 
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 
A1IUH C16  C  Y N 1   
A1IUH C17  C  Y N 2   
A1IUH C18  C  N N 3   
A1IUH C19  C  N N 4   
A1IUH C20  C  N N 5   
A1IUH C15  C  N N 6   
A1IUH C11  C  Y N 7   
A1IUH C12  C  Y N 8   
A1IUH C10  C  N N 9   
A1IUH C01  C  N N 10  
A1IUH C02  C  Y N 11  
A1IUH C03  C  Y N 12  
A1IUH C04  C  Y N 13  
A1IUH C05  C  N N 14  
A1IUH C08  C  Y N 15  
A1IUH C09  C  Y N 16  
A1IUH C14  C  Y N 17  
A1IUH C21  C  N N 18  
A1IUH C22  C  N N 19  
A1IUH N07  N  N N 20  
A1IUH N13  N  Y N 21  
A1IUH O06  O  N N 22  
A1IUH O23  O  N N 23  
A1IUH H182 H  N N 24  
A1IUH H181 H  N N 25  
A1IUH H191 H  N N 26  
A1IUH H192 H  N N 27  
A1IUH H201 H  N N 28  
A1IUH H202 H  N N 29  
A1IUH H153 H  N N 30  
A1IUH H152 H  N N 31  
A1IUH H151 H  N N 32  
A1IUH H103 H  N N 33  
A1IUH H101 H  N N 34  
A1IUH H102 H  N N 35  
A1IUH H013 H  N N 36  
A1IUH H012 H  N N 37  
A1IUH H011 H  N N 38  
A1IUH H031 H  N N 39  
A1IUH H081 H  N N 40  
A1IUH H211 H  N N 41  
A1IUH H212 H  N N 42  
A1IUH H072 H  N N 43  
A1IUH H071 H  N N 44  
A1IUH H131 H  N N 45  
ALA   N    N  N N 46  
ALA   CA   C  N S 47  
ALA   C    C  N N 48  
ALA   O    O  N N 49  
ALA   CB   C  N N 50  
ALA   OXT  O  N N 51  
ALA   H    H  N N 52  
ALA   H2   H  N N 53  
ALA   HA   H  N N 54  
ALA   HB1  H  N N 55  
ALA   HB2  H  N N 56  
ALA   HB3  H  N N 57  
ALA   HXT  H  N N 58  
ARG   N    N  N N 59  
ARG   CA   C  N S 60  
ARG   C    C  N N 61  
ARG   O    O  N N 62  
ARG   CB   C  N N 63  
ARG   CG   C  N N 64  
ARG   CD   C  N N 65  
ARG   NE   N  N N 66  
ARG   CZ   C  N N 67  
ARG   NH1  N  N N 68  
ARG   NH2  N  N N 69  
ARG   OXT  O  N N 70  
ARG   H    H  N N 71  
ARG   H2   H  N N 72  
ARG   HA   H  N N 73  
ARG   HB2  H  N N 74  
ARG   HB3  H  N N 75  
ARG   HG2  H  N N 76  
ARG   HG3  H  N N 77  
ARG   HD2  H  N N 78  
ARG   HD3  H  N N 79  
ARG   HE   H  N N 80  
ARG   HH11 H  N N 81  
ARG   HH12 H  N N 82  
ARG   HH21 H  N N 83  
ARG   HH22 H  N N 84  
ARG   HXT  H  N N 85  
ASN   N    N  N N 86  
ASN   CA   C  N S 87  
ASN   C    C  N N 88  
ASN   O    O  N N 89  
ASN   CB   C  N N 90  
ASN   CG   C  N N 91  
ASN   OD1  O  N N 92  
ASN   ND2  N  N N 93  
ASN   OXT  O  N N 94  
ASN   H    H  N N 95  
ASN   H2   H  N N 96  
ASN   HA   H  N N 97  
ASN   HB2  H  N N 98  
ASN   HB3  H  N N 99  
ASN   HD21 H  N N 100 
ASN   HD22 H  N N 101 
ASN   HXT  H  N N 102 
ASP   N    N  N N 103 
ASP   CA   C  N S 104 
ASP   C    C  N N 105 
ASP   O    O  N N 106 
ASP   CB   C  N N 107 
ASP   CG   C  N N 108 
ASP   OD1  O  N N 109 
ASP   OD2  O  N N 110 
ASP   OXT  O  N N 111 
ASP   H    H  N N 112 
ASP   H2   H  N N 113 
ASP   HA   H  N N 114 
ASP   HB2  H  N N 115 
ASP   HB3  H  N N 116 
ASP   HD2  H  N N 117 
ASP   HXT  H  N N 118 
CL    CL   CL N N 119 
CYS   N    N  N N 120 
CYS   CA   C  N R 121 
CYS   C    C  N N 122 
CYS   O    O  N N 123 
CYS   CB   C  N N 124 
CYS   SG   S  N N 125 
CYS   OXT  O  N N 126 
CYS   H    H  N N 127 
CYS   H2   H  N N 128 
CYS   HA   H  N N 129 
CYS   HB2  H  N N 130 
CYS   HB3  H  N N 131 
CYS   HG   H  N N 132 
CYS   HXT  H  N N 133 
GLN   N    N  N N 134 
GLN   CA   C  N S 135 
GLN   C    C  N N 136 
GLN   O    O  N N 137 
GLN   CB   C  N N 138 
GLN   CG   C  N N 139 
GLN   CD   C  N N 140 
GLN   OE1  O  N N 141 
GLN   NE2  N  N N 142 
GLN   OXT  O  N N 143 
GLN   H    H  N N 144 
GLN   H2   H  N N 145 
GLN   HA   H  N N 146 
GLN   HB2  H  N N 147 
GLN   HB3  H  N N 148 
GLN   HG2  H  N N 149 
GLN   HG3  H  N N 150 
GLN   HE21 H  N N 151 
GLN   HE22 H  N N 152 
GLN   HXT  H  N N 153 
GLU   N    N  N N 154 
GLU   CA   C  N S 155 
GLU   C    C  N N 156 
GLU   O    O  N N 157 
GLU   CB   C  N N 158 
GLU   CG   C  N N 159 
GLU   CD   C  N N 160 
GLU   OE1  O  N N 161 
GLU   OE2  O  N N 162 
GLU   OXT  O  N N 163 
GLU   H    H  N N 164 
GLU   H2   H  N N 165 
GLU   HA   H  N N 166 
GLU   HB2  H  N N 167 
GLU   HB3  H  N N 168 
GLU   HG2  H  N N 169 
GLU   HG3  H  N N 170 
GLU   HE2  H  N N 171 
GLU   HXT  H  N N 172 
GLY   N    N  N N 173 
GLY   CA   C  N N 174 
GLY   C    C  N N 175 
GLY   O    O  N N 176 
GLY   OXT  O  N N 177 
GLY   H    H  N N 178 
GLY   H2   H  N N 179 
GLY   HA2  H  N N 180 
GLY   HA3  H  N N 181 
GLY   HXT  H  N N 182 
HIS   N    N  N N 183 
HIS   CA   C  N S 184 
HIS   C    C  N N 185 
HIS   O    O  N N 186 
HIS   CB   C  N N 187 
HIS   CG   C  Y N 188 
HIS   ND1  N  Y N 189 
HIS   CD2  C  Y N 190 
HIS   CE1  C  Y N 191 
HIS   NE2  N  Y N 192 
HIS   OXT  O  N N 193 
HIS   H    H  N N 194 
HIS   H2   H  N N 195 
HIS   HA   H  N N 196 
HIS   HB2  H  N N 197 
HIS   HB3  H  N N 198 
HIS   HD1  H  N N 199 
HIS   HD2  H  N N 200 
HIS   HE1  H  N N 201 
HIS   HE2  H  N N 202 
HIS   HXT  H  N N 203 
HOH   O    O  N N 204 
HOH   H1   H  N N 205 
HOH   H2   H  N N 206 
ILE   N    N  N N 207 
ILE   CA   C  N S 208 
ILE   C    C  N N 209 
ILE   O    O  N N 210 
ILE   CB   C  N S 211 
ILE   CG1  C  N N 212 
ILE   CG2  C  N N 213 
ILE   CD1  C  N N 214 
ILE   OXT  O  N N 215 
ILE   H    H  N N 216 
ILE   H2   H  N N 217 
ILE   HA   H  N N 218 
ILE   HB   H  N N 219 
ILE   HG12 H  N N 220 
ILE   HG13 H  N N 221 
ILE   HG21 H  N N 222 
ILE   HG22 H  N N 223 
ILE   HG23 H  N N 224 
ILE   HD11 H  N N 225 
ILE   HD12 H  N N 226 
ILE   HD13 H  N N 227 
ILE   HXT  H  N N 228 
LEU   N    N  N N 229 
LEU   CA   C  N S 230 
LEU   C    C  N N 231 
LEU   O    O  N N 232 
LEU   CB   C  N N 233 
LEU   CG   C  N N 234 
LEU   CD1  C  N N 235 
LEU   CD2  C  N N 236 
LEU   OXT  O  N N 237 
LEU   H    H  N N 238 
LEU   H2   H  N N 239 
LEU   HA   H  N N 240 
LEU   HB2  H  N N 241 
LEU   HB3  H  N N 242 
LEU   HG   H  N N 243 
LEU   HD11 H  N N 244 
LEU   HD12 H  N N 245 
LEU   HD13 H  N N 246 
LEU   HD21 H  N N 247 
LEU   HD22 H  N N 248 
LEU   HD23 H  N N 249 
LEU   HXT  H  N N 250 
LYS   N    N  N N 251 
LYS   CA   C  N S 252 
LYS   C    C  N N 253 
LYS   O    O  N N 254 
LYS   CB   C  N N 255 
LYS   CG   C  N N 256 
LYS   CD   C  N N 257 
LYS   CE   C  N N 258 
LYS   NZ   N  N N 259 
LYS   OXT  O  N N 260 
LYS   H    H  N N 261 
LYS   H2   H  N N 262 
LYS   HA   H  N N 263 
LYS   HB2  H  N N 264 
LYS   HB3  H  N N 265 
LYS   HG2  H  N N 266 
LYS   HG3  H  N N 267 
LYS   HD2  H  N N 268 
LYS   HD3  H  N N 269 
LYS   HE2  H  N N 270 
LYS   HE3  H  N N 271 
LYS   HZ1  H  N N 272 
LYS   HZ2  H  N N 273 
LYS   HZ3  H  N N 274 
LYS   HXT  H  N N 275 
MET   N    N  N N 276 
MET   CA   C  N S 277 
MET   C    C  N N 278 
MET   O    O  N N 279 
MET   CB   C  N N 280 
MET   CG   C  N N 281 
MET   SD   S  N N 282 
MET   CE   C  N N 283 
MET   OXT  O  N N 284 
MET   H    H  N N 285 
MET   H2   H  N N 286 
MET   HA   H  N N 287 
MET   HB2  H  N N 288 
MET   HB3  H  N N 289 
MET   HG2  H  N N 290 
MET   HG3  H  N N 291 
MET   HE1  H  N N 292 
MET   HE2  H  N N 293 
MET   HE3  H  N N 294 
MET   HXT  H  N N 295 
PHE   N    N  N N 296 
PHE   CA   C  N S 297 
PHE   C    C  N N 298 
PHE   O    O  N N 299 
PHE   CB   C  N N 300 
PHE   CG   C  Y N 301 
PHE   CD1  C  Y N 302 
PHE   CD2  C  Y N 303 
PHE   CE1  C  Y N 304 
PHE   CE2  C  Y N 305 
PHE   CZ   C  Y N 306 
PHE   OXT  O  N N 307 
PHE   H    H  N N 308 
PHE   H2   H  N N 309 
PHE   HA   H  N N 310 
PHE   HB2  H  N N 311 
PHE   HB3  H  N N 312 
PHE   HD1  H  N N 313 
PHE   HD2  H  N N 314 
PHE   HE1  H  N N 315 
PHE   HE2  H  N N 316 
PHE   HZ   H  N N 317 
PHE   HXT  H  N N 318 
PRO   N    N  N N 319 
PRO   CA   C  N S 320 
PRO   C    C  N N 321 
PRO   O    O  N N 322 
PRO   CB   C  N N 323 
PRO   CG   C  N N 324 
PRO   CD   C  N N 325 
PRO   OXT  O  N N 326 
PRO   H    H  N N 327 
PRO   HA   H  N N 328 
PRO   HB2  H  N N 329 
PRO   HB3  H  N N 330 
PRO   HG2  H  N N 331 
PRO   HG3  H  N N 332 
PRO   HD2  H  N N 333 
PRO   HD3  H  N N 334 
PRO   HXT  H  N N 335 
SER   N    N  N N 336 
SER   CA   C  N S 337 
SER   C    C  N N 338 
SER   O    O  N N 339 
SER   CB   C  N N 340 
SER   OG   O  N N 341 
SER   OXT  O  N N 342 
SER   H    H  N N 343 
SER   H2   H  N N 344 
SER   HA   H  N N 345 
SER   HB2  H  N N 346 
SER   HB3  H  N N 347 
SER   HG   H  N N 348 
SER   HXT  H  N N 349 
SO4   S    S  N N 350 
SO4   O1   O  N N 351 
SO4   O2   O  N N 352 
SO4   O3   O  N N 353 
SO4   O4   O  N N 354 
THR   N    N  N N 355 
THR   CA   C  N S 356 
THR   C    C  N N 357 
THR   O    O  N N 358 
THR   CB   C  N R 359 
THR   OG1  O  N N 360 
THR   CG2  C  N N 361 
THR   OXT  O  N N 362 
THR   H    H  N N 363 
THR   H2   H  N N 364 
THR   HA   H  N N 365 
THR   HB   H  N N 366 
THR   HG1  H  N N 367 
THR   HG21 H  N N 368 
THR   HG22 H  N N 369 
THR   HG23 H  N N 370 
THR   HXT  H  N N 371 
TRP   N    N  N N 372 
TRP   CA   C  N S 373 
TRP   C    C  N N 374 
TRP   O    O  N N 375 
TRP   CB   C  N N 376 
TRP   CG   C  Y N 377 
TRP   CD1  C  Y N 378 
TRP   CD2  C  Y N 379 
TRP   NE1  N  Y N 380 
TRP   CE2  C  Y N 381 
TRP   CE3  C  Y N 382 
TRP   CZ2  C  Y N 383 
TRP   CZ3  C  Y N 384 
TRP   CH2  C  Y N 385 
TRP   OXT  O  N N 386 
TRP   H    H  N N 387 
TRP   H2   H  N N 388 
TRP   HA   H  N N 389 
TRP   HB2  H  N N 390 
TRP   HB3  H  N N 391 
TRP   HD1  H  N N 392 
TRP   HE1  H  N N 393 
TRP   HE3  H  N N 394 
TRP   HZ2  H  N N 395 
TRP   HZ3  H  N N 396 
TRP   HH2  H  N N 397 
TRP   HXT  H  N N 398 
TYR   N    N  N N 399 
TYR   CA   C  N S 400 
TYR   C    C  N N 401 
TYR   O    O  N N 402 
TYR   CB   C  N N 403 
TYR   CG   C  Y N 404 
TYR   CD1  C  Y N 405 
TYR   CD2  C  Y N 406 
TYR   CE1  C  Y N 407 
TYR   CE2  C  Y N 408 
TYR   CZ   C  Y N 409 
TYR   OH   O  N N 410 
TYR   OXT  O  N N 411 
TYR   H    H  N N 412 
TYR   H2   H  N N 413 
TYR   HA   H  N N 414 
TYR   HB2  H  N N 415 
TYR   HB3  H  N N 416 
TYR   HD1  H  N N 417 
TYR   HD2  H  N N 418 
TYR   HE1  H  N N 419 
TYR   HE2  H  N N 420 
TYR   HH   H  N N 421 
TYR   HXT  H  N N 422 
VAL   N    N  N N 423 
VAL   CA   C  N S 424 
VAL   C    C  N N 425 
VAL   O    O  N N 426 
VAL   CB   C  N N 427 
VAL   CG1  C  N N 428 
VAL   CG2  C  N N 429 
VAL   OXT  O  N N 430 
VAL   H    H  N N 431 
VAL   H2   H  N N 432 
VAL   HA   H  N N 433 
VAL   HB   H  N N 434 
VAL   HG11 H  N N 435 
VAL   HG12 H  N N 436 
VAL   HG13 H  N N 437 
VAL   HG21 H  N N 438 
VAL   HG22 H  N N 439 
VAL   HG23 H  N N 440 
VAL   HXT  H  N N 441 
# 
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 
A1IUH C02 C01  sing N N 1   
A1IUH C03 C02  doub Y N 2   
A1IUH C04 C03  sing Y N 3   
A1IUH O06 C05  doub N N 4   
A1IUH N07 C05  sing N N 5   
A1IUH C05 C04  sing N N 6   
A1IUH C08 C04  doub Y N 7   
A1IUH C09 C08  sing Y N 8   
A1IUH C10 C09  sing N N 9   
A1IUH C11 C09  doub Y N 10  
A1IUH C12 C11  sing N N 11  
A1IUH C14 N13  sing Y N 12  
A1IUH C15 C14  sing N N 13  
A1IUH N13 C12  sing Y N 14  
A1IUH C16 C12  doub Y N 15  
A1IUH C17 C16  sing Y N 16  
A1IUH C18 C16  sing N N 17  
A1IUH C19 C18  sing N N 18  
A1IUH C20 C19  sing N N 19  
A1IUH C21 C20  sing N N 20  
A1IUH C22 C21  sing N N 21  
A1IUH O23 C22  doub N N 22  
A1IUH C02 C11  sing Y N 23  
A1IUH C14 C17  doub Y N 24  
A1IUH C17 C22  sing N N 25  
A1IUH C18 H182 sing N N 26  
A1IUH C18 H181 sing N N 27  
A1IUH C19 H191 sing N N 28  
A1IUH C19 H192 sing N N 29  
A1IUH C20 H201 sing N N 30  
A1IUH C20 H202 sing N N 31  
A1IUH C15 H153 sing N N 32  
A1IUH C15 H152 sing N N 33  
A1IUH C15 H151 sing N N 34  
A1IUH C10 H103 sing N N 35  
A1IUH C10 H101 sing N N 36  
A1IUH C10 H102 sing N N 37  
A1IUH C01 H013 sing N N 38  
A1IUH C01 H012 sing N N 39  
A1IUH C01 H011 sing N N 40  
A1IUH C03 H031 sing N N 41  
A1IUH C08 H081 sing N N 42  
A1IUH C21 H211 sing N N 43  
A1IUH C21 H212 sing N N 44  
A1IUH N07 H072 sing N N 45  
A1IUH N07 H071 sing N N 46  
A1IUH N13 H131 sing N N 47  
ALA   N   CA   sing N N 48  
ALA   N   H    sing N N 49  
ALA   N   H2   sing N N 50  
ALA   CA  C    sing N N 51  
ALA   CA  CB   sing N N 52  
ALA   CA  HA   sing N N 53  
ALA   C   O    doub N N 54  
ALA   C   OXT  sing N N 55  
ALA   CB  HB1  sing N N 56  
ALA   CB  HB2  sing N N 57  
ALA   CB  HB3  sing N N 58  
ALA   OXT HXT  sing N N 59  
ARG   N   CA   sing N N 60  
ARG   N   H    sing N N 61  
ARG   N   H2   sing N N 62  
ARG   CA  C    sing N N 63  
ARG   CA  CB   sing N N 64  
ARG   CA  HA   sing N N 65  
ARG   C   O    doub N N 66  
ARG   C   OXT  sing N N 67  
ARG   CB  CG   sing N N 68  
ARG   CB  HB2  sing N N 69  
ARG   CB  HB3  sing N N 70  
ARG   CG  CD   sing N N 71  
ARG   CG  HG2  sing N N 72  
ARG   CG  HG3  sing N N 73  
ARG   CD  NE   sing N N 74  
ARG   CD  HD2  sing N N 75  
ARG   CD  HD3  sing N N 76  
ARG   NE  CZ   sing N N 77  
ARG   NE  HE   sing N N 78  
ARG   CZ  NH1  sing N N 79  
ARG   CZ  NH2  doub N N 80  
ARG   NH1 HH11 sing N N 81  
ARG   NH1 HH12 sing N N 82  
ARG   NH2 HH21 sing N N 83  
ARG   NH2 HH22 sing N N 84  
ARG   OXT HXT  sing N N 85  
ASN   N   CA   sing N N 86  
ASN   N   H    sing N N 87  
ASN   N   H2   sing N N 88  
ASN   CA  C    sing N N 89  
ASN   CA  CB   sing N N 90  
ASN   CA  HA   sing N N 91  
ASN   C   O    doub N N 92  
ASN   C   OXT  sing N N 93  
ASN   CB  CG   sing N N 94  
ASN   CB  HB2  sing N N 95  
ASN   CB  HB3  sing N N 96  
ASN   CG  OD1  doub N N 97  
ASN   CG  ND2  sing N N 98  
ASN   ND2 HD21 sing N N 99  
ASN   ND2 HD22 sing N N 100 
ASN   OXT HXT  sing N N 101 
ASP   N   CA   sing N N 102 
ASP   N   H    sing N N 103 
ASP   N   H2   sing N N 104 
ASP   CA  C    sing N N 105 
ASP   CA  CB   sing N N 106 
ASP   CA  HA   sing N N 107 
ASP   C   O    doub N N 108 
ASP   C   OXT  sing N N 109 
ASP   CB  CG   sing N N 110 
ASP   CB  HB2  sing N N 111 
ASP   CB  HB3  sing N N 112 
ASP   CG  OD1  doub N N 113 
ASP   CG  OD2  sing N N 114 
ASP   OD2 HD2  sing N N 115 
ASP   OXT HXT  sing N N 116 
CYS   N   CA   sing N N 117 
CYS   N   H    sing N N 118 
CYS   N   H2   sing N N 119 
CYS   CA  C    sing N N 120 
CYS   CA  CB   sing N N 121 
CYS   CA  HA   sing N N 122 
CYS   C   O    doub N N 123 
CYS   C   OXT  sing N N 124 
CYS   CB  SG   sing N N 125 
CYS   CB  HB2  sing N N 126 
CYS   CB  HB3  sing N N 127 
CYS   SG  HG   sing N N 128 
CYS   OXT HXT  sing N N 129 
GLN   N   CA   sing N N 130 
GLN   N   H    sing N N 131 
GLN   N   H2   sing N N 132 
GLN   CA  C    sing N N 133 
GLN   CA  CB   sing N N 134 
GLN   CA  HA   sing N N 135 
GLN   C   O    doub N N 136 
GLN   C   OXT  sing N N 137 
GLN   CB  CG   sing N N 138 
GLN   CB  HB2  sing N N 139 
GLN   CB  HB3  sing N N 140 
GLN   CG  CD   sing N N 141 
GLN   CG  HG2  sing N N 142 
GLN   CG  HG3  sing N N 143 
GLN   CD  OE1  doub N N 144 
GLN   CD  NE2  sing N N 145 
GLN   NE2 HE21 sing N N 146 
GLN   NE2 HE22 sing N N 147 
GLN   OXT HXT  sing N N 148 
GLU   N   CA   sing N N 149 
GLU   N   H    sing N N 150 
GLU   N   H2   sing N N 151 
GLU   CA  C    sing N N 152 
GLU   CA  CB   sing N N 153 
GLU   CA  HA   sing N N 154 
GLU   C   O    doub N N 155 
GLU   C   OXT  sing N N 156 
GLU   CB  CG   sing N N 157 
GLU   CB  HB2  sing N N 158 
GLU   CB  HB3  sing N N 159 
GLU   CG  CD   sing N N 160 
GLU   CG  HG2  sing N N 161 
GLU   CG  HG3  sing N N 162 
GLU   CD  OE1  doub N N 163 
GLU   CD  OE2  sing N N 164 
GLU   OE2 HE2  sing N N 165 
GLU   OXT HXT  sing N N 166 
GLY   N   CA   sing N N 167 
GLY   N   H    sing N N 168 
GLY   N   H2   sing N N 169 
GLY   CA  C    sing N N 170 
GLY   CA  HA2  sing N N 171 
GLY   CA  HA3  sing N N 172 
GLY   C   O    doub N N 173 
GLY   C   OXT  sing N N 174 
GLY   OXT HXT  sing N N 175 
HIS   N   CA   sing N N 176 
HIS   N   H    sing N N 177 
HIS   N   H2   sing N N 178 
HIS   CA  C    sing N N 179 
HIS   CA  CB   sing N N 180 
HIS   CA  HA   sing N N 181 
HIS   C   O    doub N N 182 
HIS   C   OXT  sing N N 183 
HIS   CB  CG   sing N N 184 
HIS   CB  HB2  sing N N 185 
HIS   CB  HB3  sing N N 186 
HIS   CG  ND1  sing Y N 187 
HIS   CG  CD2  doub Y N 188 
HIS   ND1 CE1  doub Y N 189 
HIS   ND1 HD1  sing N N 190 
HIS   CD2 NE2  sing Y N 191 
HIS   CD2 HD2  sing N N 192 
HIS   CE1 NE2  sing Y N 193 
HIS   CE1 HE1  sing N N 194 
HIS   NE2 HE2  sing N N 195 
HIS   OXT HXT  sing N N 196 
HOH   O   H1   sing N N 197 
HOH   O   H2   sing N N 198 
ILE   N   CA   sing N N 199 
ILE   N   H    sing N N 200 
ILE   N   H2   sing N N 201 
ILE   CA  C    sing N N 202 
ILE   CA  CB   sing N N 203 
ILE   CA  HA   sing N N 204 
ILE   C   O    doub N N 205 
ILE   C   OXT  sing N N 206 
ILE   CB  CG1  sing N N 207 
ILE   CB  CG2  sing N N 208 
ILE   CB  HB   sing N N 209 
ILE   CG1 CD1  sing N N 210 
ILE   CG1 HG12 sing N N 211 
ILE   CG1 HG13 sing N N 212 
ILE   CG2 HG21 sing N N 213 
ILE   CG2 HG22 sing N N 214 
ILE   CG2 HG23 sing N N 215 
ILE   CD1 HD11 sing N N 216 
ILE   CD1 HD12 sing N N 217 
ILE   CD1 HD13 sing N N 218 
ILE   OXT HXT  sing N N 219 
LEU   N   CA   sing N N 220 
LEU   N   H    sing N N 221 
LEU   N   H2   sing N N 222 
LEU   CA  C    sing N N 223 
LEU   CA  CB   sing N N 224 
LEU   CA  HA   sing N N 225 
LEU   C   O    doub N N 226 
LEU   C   OXT  sing N N 227 
LEU   CB  CG   sing N N 228 
LEU   CB  HB2  sing N N 229 
LEU   CB  HB3  sing N N 230 
LEU   CG  CD1  sing N N 231 
LEU   CG  CD2  sing N N 232 
LEU   CG  HG   sing N N 233 
LEU   CD1 HD11 sing N N 234 
LEU   CD1 HD12 sing N N 235 
LEU   CD1 HD13 sing N N 236 
LEU   CD2 HD21 sing N N 237 
LEU   CD2 HD22 sing N N 238 
LEU   CD2 HD23 sing N N 239 
LEU   OXT HXT  sing N N 240 
LYS   N   CA   sing N N 241 
LYS   N   H    sing N N 242 
LYS   N   H2   sing N N 243 
LYS   CA  C    sing N N 244 
LYS   CA  CB   sing N N 245 
LYS   CA  HA   sing N N 246 
LYS   C   O    doub N N 247 
LYS   C   OXT  sing N N 248 
LYS   CB  CG   sing N N 249 
LYS   CB  HB2  sing N N 250 
LYS   CB  HB3  sing N N 251 
LYS   CG  CD   sing N N 252 
LYS   CG  HG2  sing N N 253 
LYS   CG  HG3  sing N N 254 
LYS   CD  CE   sing N N 255 
LYS   CD  HD2  sing N N 256 
LYS   CD  HD3  sing N N 257 
LYS   CE  NZ   sing N N 258 
LYS   CE  HE2  sing N N 259 
LYS   CE  HE3  sing N N 260 
LYS   NZ  HZ1  sing N N 261 
LYS   NZ  HZ2  sing N N 262 
LYS   NZ  HZ3  sing N N 263 
LYS   OXT HXT  sing N N 264 
MET   N   CA   sing N N 265 
MET   N   H    sing N N 266 
MET   N   H2   sing N N 267 
MET   CA  C    sing N N 268 
MET   CA  CB   sing N N 269 
MET   CA  HA   sing N N 270 
MET   C   O    doub N N 271 
MET   C   OXT  sing N N 272 
MET   CB  CG   sing N N 273 
MET   CB  HB2  sing N N 274 
MET   CB  HB3  sing N N 275 
MET   CG  SD   sing N N 276 
MET   CG  HG2  sing N N 277 
MET   CG  HG3  sing N N 278 
MET   SD  CE   sing N N 279 
MET   CE  HE1  sing N N 280 
MET   CE  HE2  sing N N 281 
MET   CE  HE3  sing N N 282 
MET   OXT HXT  sing N N 283 
PHE   N   CA   sing N N 284 
PHE   N   H    sing N N 285 
PHE   N   H2   sing N N 286 
PHE   CA  C    sing N N 287 
PHE   CA  CB   sing N N 288 
PHE   CA  HA   sing N N 289 
PHE   C   O    doub N N 290 
PHE   C   OXT  sing N N 291 
PHE   CB  CG   sing N N 292 
PHE   CB  HB2  sing N N 293 
PHE   CB  HB3  sing N N 294 
PHE   CG  CD1  doub Y N 295 
PHE   CG  CD2  sing Y N 296 
PHE   CD1 CE1  sing Y N 297 
PHE   CD1 HD1  sing N N 298 
PHE   CD2 CE2  doub Y N 299 
PHE   CD2 HD2  sing N N 300 
PHE   CE1 CZ   doub Y N 301 
PHE   CE1 HE1  sing N N 302 
PHE   CE2 CZ   sing Y N 303 
PHE   CE2 HE2  sing N N 304 
PHE   CZ  HZ   sing N N 305 
PHE   OXT HXT  sing N N 306 
PRO   N   CA   sing N N 307 
PRO   N   CD   sing N N 308 
PRO   N   H    sing N N 309 
PRO   CA  C    sing N N 310 
PRO   CA  CB   sing N N 311 
PRO   CA  HA   sing N N 312 
PRO   C   O    doub N N 313 
PRO   C   OXT  sing N N 314 
PRO   CB  CG   sing N N 315 
PRO   CB  HB2  sing N N 316 
PRO   CB  HB3  sing N N 317 
PRO   CG  CD   sing N N 318 
PRO   CG  HG2  sing N N 319 
PRO   CG  HG3  sing N N 320 
PRO   CD  HD2  sing N N 321 
PRO   CD  HD3  sing N N 322 
PRO   OXT HXT  sing N N 323 
SER   N   CA   sing N N 324 
SER   N   H    sing N N 325 
SER   N   H2   sing N N 326 
SER   CA  C    sing N N 327 
SER   CA  CB   sing N N 328 
SER   CA  HA   sing N N 329 
SER   C   O    doub N N 330 
SER   C   OXT  sing N N 331 
SER   CB  OG   sing N N 332 
SER   CB  HB2  sing N N 333 
SER   CB  HB3  sing N N 334 
SER   OG  HG   sing N N 335 
SER   OXT HXT  sing N N 336 
SO4   S   O1   doub N N 337 
SO4   S   O2   doub N N 338 
SO4   S   O3   sing N N 339 
SO4   S   O4   sing N N 340 
THR   N   CA   sing N N 341 
THR   N   H    sing N N 342 
THR   N   H2   sing N N 343 
THR   CA  C    sing N N 344 
THR   CA  CB   sing N N 345 
THR   CA  HA   sing N N 346 
THR   C   O    doub N N 347 
THR   C   OXT  sing N N 348 
THR   CB  OG1  sing N N 349 
THR   CB  CG2  sing N N 350 
THR   CB  HB   sing N N 351 
THR   OG1 HG1  sing N N 352 
THR   CG2 HG21 sing N N 353 
THR   CG2 HG22 sing N N 354 
THR   CG2 HG23 sing N N 355 
THR   OXT HXT  sing N N 356 
TRP   N   CA   sing N N 357 
TRP   N   H    sing N N 358 
TRP   N   H2   sing N N 359 
TRP   CA  C    sing N N 360 
TRP   CA  CB   sing N N 361 
TRP   CA  HA   sing N N 362 
TRP   C   O    doub N N 363 
TRP   C   OXT  sing N N 364 
TRP   CB  CG   sing N N 365 
TRP   CB  HB2  sing N N 366 
TRP   CB  HB3  sing N N 367 
TRP   CG  CD1  doub Y N 368 
TRP   CG  CD2  sing Y N 369 
TRP   CD1 NE1  sing Y N 370 
TRP   CD1 HD1  sing N N 371 
TRP   CD2 CE2  doub Y N 372 
TRP   CD2 CE3  sing Y N 373 
TRP   NE1 CE2  sing Y N 374 
TRP   NE1 HE1  sing N N 375 
TRP   CE2 CZ2  sing Y N 376 
TRP   CE3 CZ3  doub Y N 377 
TRP   CE3 HE3  sing N N 378 
TRP   CZ2 CH2  doub Y N 379 
TRP   CZ2 HZ2  sing N N 380 
TRP   CZ3 CH2  sing Y N 381 
TRP   CZ3 HZ3  sing N N 382 
TRP   CH2 HH2  sing N N 383 
TRP   OXT HXT  sing N N 384 
TYR   N   CA   sing N N 385 
TYR   N   H    sing N N 386 
TYR   N   H2   sing N N 387 
TYR   CA  C    sing N N 388 
TYR   CA  CB   sing N N 389 
TYR   CA  HA   sing N N 390 
TYR   C   O    doub N N 391 
TYR   C   OXT  sing N N 392 
TYR   CB  CG   sing N N 393 
TYR   CB  HB2  sing N N 394 
TYR   CB  HB3  sing N N 395 
TYR   CG  CD1  doub Y N 396 
TYR   CG  CD2  sing Y N 397 
TYR   CD1 CE1  sing Y N 398 
TYR   CD1 HD1  sing N N 399 
TYR   CD2 CE2  doub Y N 400 
TYR   CD2 HD2  sing N N 401 
TYR   CE1 CZ   doub Y N 402 
TYR   CE1 HE1  sing N N 403 
TYR   CE2 CZ   sing Y N 404 
TYR   CE2 HE2  sing N N 405 
TYR   CZ  OH   sing N N 406 
TYR   OH  HH   sing N N 407 
TYR   OXT HXT  sing N N 408 
VAL   N   CA   sing N N 409 
VAL   N   H    sing N N 410 
VAL   N   H2   sing N N 411 
VAL   CA  C    sing N N 412 
VAL   CA  CB   sing N N 413 
VAL   CA  HA   sing N N 414 
VAL   C   O    doub N N 415 
VAL   C   OXT  sing N N 416 
VAL   CB  CG1  sing N N 417 
VAL   CB  CG2  sing N N 418 
VAL   CB  HB   sing N N 419 
VAL   CG1 HG11 sing N N 420 
VAL   CG1 HG12 sing N N 421 
VAL   CG1 HG13 sing N N 422 
VAL   CG2 HG21 sing N N 423 
VAL   CG2 HG22 sing N N 424 
VAL   CG2 HG23 sing N N 425 
VAL   OXT HXT  sing N N 426 
# 
_pdbx_audit_support.funding_organization   'German Research Foundation (DFG)' 
_pdbx_audit_support.country                Germany 
_pdbx_audit_support.grant_number           RTG2202 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'in silico model' 
_pdbx_initial_refinement_model.source_name      AlphaFold 
_pdbx_initial_refinement_model.accession_code   ? 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9HGF 
_atom_sites.Cartn_transf_matrix[1][1]   ? 
_atom_sites.Cartn_transf_matrix[1][2]   ? 
_atom_sites.Cartn_transf_matrix[1][3]   ? 
_atom_sites.Cartn_transf_matrix[2][1]   ? 
_atom_sites.Cartn_transf_matrix[2][2]   ? 
_atom_sites.Cartn_transf_matrix[2][3]   ? 
_atom_sites.Cartn_transf_matrix[3][1]   ? 
_atom_sites.Cartn_transf_matrix[3][2]   ? 
_atom_sites.Cartn_transf_matrix[3][3]   ? 
_atom_sites.Cartn_transf_vector[1]      ? 
_atom_sites.Cartn_transf_vector[2]      ? 
_atom_sites.Cartn_transf_vector[3]      ? 
_atom_sites.Cartn_transform_axes        ? 
_atom_sites.fract_transf_matrix[1][1]   0.010776 
_atom_sites.fract_transf_matrix[1][2]   0.006222 
_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]   0.012443 
_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]   0.014140 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
C  
CL 
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   . SER   A 1 1   ? 38.31954 -6.25237  11.52084  1.000 40.70381 ? 1   SER   A N   1 
ATOM   2    C  CA  . SER   A 1 1   ? 37.12162 -5.42409  11.43927  1.000 44.31590 ? 1   SER   A CA  1 
ATOM   3    C  C   . SER   A 1 1   ? 35.84558 -6.25519  11.16786  1.000 43.42691 ? 1   SER   A C   1 
ATOM   4    O  O   . SER   A 1 1   ? 35.90660 -7.45857  10.95275  1.000 43.14571 ? 1   SER   A O   1 
ATOM   5    C  CB  . SER   A 1 1   ? 37.28817 -4.36648  10.35469  1.000 42.30921 ? 1   SER   A CB  1 
ATOM   6    O  OG  . SER   A 1 1   ? 37.27440 -4.94616  9.06257   1.000 49.26457 ? 1   SER   A OG  1 
ATOM   7    N  N   . PHE   A 1 2   ? 34.70613 -5.56902  11.13349  1.000 41.57435 ? 2   PHE   A N   1 
ATOM   8    C  CA  . PHE   A 1 2   ? 33.40511 -6.23904  11.09308  1.000 39.40864 ? 2   PHE   A CA  1 
ATOM   9    C  C   . PHE   A 1 2   ? 33.25713 -7.11488  9.85560   1.000 42.10822 ? 2   PHE   A C   1 
ATOM   10   O  O   . PHE   A 1 2   ? 32.93397 -8.30933  9.95891   1.000 41.88327 ? 2   PHE   A O   1 
ATOM   11   C  CB  . PHE   A 1 2   ? 32.29502 -5.18631  11.14543  1.000 36.61860 ? 2   PHE   A CB  1 
ATOM   12   C  CG  . PHE   A 1 2   ? 30.88039 -5.76473  11.08737  1.000 37.60667 ? 2   PHE   A CG  1 
ATOM   13   C  CD1 . PHE   A 1 2   ? 30.29933 -6.30833  12.21731  1.000 39.13082 ? 2   PHE   A CD1 1 
ATOM   14   C  CD2 . PHE   A 1 2   ? 30.14751 -5.73548  9.91483   1.000 38.34811 ? 2   PHE   A CD2 1 
ATOM   15   C  CE1 . PHE   A 1 2   ? 28.99456 -6.84108  12.17752  1.000 43.21363 ? 2   PHE   A CE1 1 
ATOM   16   C  CE2 . PHE   A 1 2   ? 28.83169 -6.25700  9.87252   1.000 39.32770 ? 2   PHE   A CE2 1 
ATOM   17   C  CZ  . PHE   A 1 2   ? 28.27394 -6.79639  11.00802  1.000 40.55528 ? 2   PHE   A CZ  1 
ATOM   18   N  N   . ASN   A 1 3   ? 33.47709 -6.53988  8.67113   1.000 38.41430 ? 3   ASN   A N   1 
ATOM   19   C  CA  . ASN   A 1 3   ? 33.30719 -7.30359  7.43963   1.000 41.67825 ? 3   ASN   A CA  1 
ATOM   20   C  C   . ASN   A 1 3   ? 34.36836 -8.38829  7.28901   1.000 41.53219 ? 3   ASN   A C   1 
ATOM   21   O  O   . ASN   A 1 3   ? 34.05681 -9.50290  6.83535   1.000 40.86102 ? 3   ASN   A O   1 
ATOM   22   C  CB  . ASN   A 1 3   ? 33.31549 -6.37022  6.24215   1.000 34.82124 ? 3   ASN   A CB  1 
ATOM   23   C  CG  . ASN   A 1 3   ? 32.10142 -5.50577  6.20898   1.000 41.23349 ? 3   ASN   A CG  1 
ATOM   24   O  OD1 . ASN   A 1 3   ? 31.00872 -5.95453  6.53621   1.000 42.47913 ? 3   ASN   A OD1 1 
ATOM   25   N  ND2 . ASN   A 1 3   ? 32.28054 -4.23709  5.85931   1.000 39.11463 ? 3   ASN   A ND2 1 
ATOM   26   N  N   . LYS   A 1 4   ? 35.61846 -8.09183  7.65998   1.000 38.60445 ? 4   LYS   A N   1 
ATOM   27   C  CA  . LYS   A 1 4   ? 36.65799 -9.12815  7.63215   1.000 41.09348 ? 4   LYS   A CA  1 
ATOM   28   C  C   . LYS   A 1 4   ? 36.27707 -10.31790 8.50376   1.000 41.81965 ? 4   LYS   A C   1 
ATOM   29   O  O   . LYS   A 1 4   ? 36.52890 -11.47596 8.14016   1.000 43.11554 ? 4   LYS   A O   1 
ATOM   30   C  CB  . LYS   A 1 4   ? 38.00542 -8.56575  8.09585   1.000 41.33222 ? 4   LYS   A CB  1 
ATOM   31   C  CG  . LYS   A 1 4   ? 38.62146 -7.52860  7.18273   1.000 49.04284 ? 4   LYS   A CG  1 
ATOM   32   C  CD  . LYS   A 1 4   ? 39.94029 -7.00207  7.78024   1.000 47.31887 ? 4   LYS   A CD  1 
ATOM   33   C  CE  . LYS   A 1 4   ? 40.51955 -5.80182  7.01223   1.000 61.50598 ? 4   LYS   A CE  1 
ATOM   34   N  NZ  . LYS   A 1 4   ? 41.71550 -6.13628  6.16414   1.000 66.54692 ? 4   LYS   A NZ  1 
ATOM   35   N  N   . GLN   A 1 5   ? 35.63924 -10.06305 9.64832   1.000 42.10568 ? 5   GLN   A N   1 
ATOM   36   C  CA  . GLN   A 1 5   ? 35.34003 -11.16151 10.56624  1.000 44.22262 ? 5   GLN   A CA  1 
ATOM   37   C  C   . GLN   A 1 5   ? 34.25750 -12.09590 10.01866  1.000 41.81093 ? 5   GLN   A C   1 
ATOM   38   O  O   . GLN   A 1 5   ? 34.39359 -13.32054 10.11198  1.000 40.42236 ? 5   GLN   A O   1 
ATOM   39   C  CB  . GLN   A 1 5   ? 34.96167 -10.60500 11.94092  1.000 45.32753 ? 5   GLN   A CB  1 
ATOM   40   C  CG  . GLN   A 1 5   ? 36.20247 -10.18399 12.75547  1.000 48.36995 ? 5   GLN   A CG  1 
ATOM   41   C  CD  . GLN   A 1 5   ? 37.32712 -11.23090 12.67147  1.000 55.40884 ? 5   GLN   A CD  1 
ATOM   42   O  OE1 . GLN   A 1 5   ? 38.39101 -10.97456 12.08910  1.000 58.11516 ? 5   GLN   A OE1 1 
ATOM   43   N  NE2 . GLN   A 1 5   ? 37.08895 -12.41970 13.24546  1.000 55.00169 ? 5   GLN   A NE2 1 
ATOM   44   N  N   . TRP   A 1 6   ? 33.17742 -11.56710 9.44333   1.000 40.48525 ? 6   TRP   A N   1 
ATOM   45   C  CA  . TRP   A 1 6   ? 32.21077 -12.53269 8.92156   1.000 40.07185 ? 6   TRP   A CA  1 
ATOM   46   C  C   . TRP   A 1 6   ? 32.63642 -13.11953 7.57856   1.000 42.07964 ? 6   TRP   A C   1 
ATOM   47   O  O   . TRP   A 1 6   ? 32.21736 -14.24187 7.24781   1.000 40.25941 ? 6   TRP   A O   1 
ATOM   48   C  CB  . TRP   A 1 6   ? 30.80562 -11.93876 8.84775   1.000 37.12127 ? 6   TRP   A CB  1 
ATOM   49   C  CG  . TRP   A 1 6   ? 30.57707 -10.75285 7.97714   1.000 37.98782 ? 6   TRP   A CG  1 
ATOM   50   C  CD1 . TRP   A 1 6   ? 30.45898 -9.44796  8.38505   1.000 40.31522 ? 6   TRP   A CD1 1 
ATOM   51   C  CD2 . TRP   A 1 6   ? 30.32049 -10.75755 6.56720   1.000 39.09161 ? 6   TRP   A CD2 1 
ATOM   52   N  NE1 . TRP   A 1 6   ? 30.15950 -8.64093  7.30623   1.000 39.80218 ? 6   TRP   A NE1 1 
ATOM   53   C  CE2 . TRP   A 1 6   ? 30.07850 -9.41714  6.17966   1.000 42.30794 ? 6   TRP   A CE2 1 
ATOM   54   C  CE3 . TRP   A 1 6   ? 30.26992 -11.76535 5.59259   1.000 41.69588 ? 6   TRP   A CE3 1 
ATOM   55   C  CZ2 . TRP   A 1 6   ? 29.81935 -9.05375  4.85782   1.000 39.94656 ? 6   TRP   A CZ2 1 
ATOM   56   C  CZ3 . TRP   A 1 6   ? 29.99675 -11.40524 4.28173   1.000 39.96063 ? 6   TRP   A CZ3 1 
ATOM   57   C  CH2 . TRP   A 1 6   ? 29.78106 -10.05929 3.92631   1.000 39.09041 ? 6   TRP   A CH2 1 
ATOM   58   N  N   . TYR   A 1 7   ? 33.49357 -12.42889 6.82265   1.000 35.07257 ? 7   TYR   A N   1 
ATOM   59   C  CA  . TYR   A 1 7   ? 34.09266 -13.06542 5.65865   1.000 36.39160 ? 7   TYR   A CA  1 
ATOM   60   C  C   . TYR   A 1 7   ? 34.90126 -14.28434 6.06894   1.000 38.63961 ? 7   TYR   A C   1 
ATOM   61   O  O   . TYR   A 1 7   ? 34.84370 -15.32440 5.40308   1.000 39.77584 ? 7   TYR   A O   1 
ATOM   62   C  CB  . TYR   A 1 7   ? 34.99561 -12.08764 4.91246   1.000 36.57210 ? 7   TYR   A CB  1 
ATOM   63   C  CG  . TYR   A 1 7   ? 34.38603 -11.46873 3.69542   1.000 34.48926 ? 7   TYR   A CG  1 
ATOM   64   C  CD1 . TYR   A 1 7   ? 33.40622 -10.49190 3.82213   1.000 32.30173 ? 7   TYR   A CD1 1 
ATOM   65   C  CD2 . TYR   A 1 7   ? 34.84207 -11.79678 2.42007   1.000 32.45194 ? 7   TYR   A CD2 1 
ATOM   66   C  CE1 . TYR   A 1 7   ? 32.86429 -9.87245  2.71838   1.000 35.69245 ? 7   TYR   A CE1 1 
ATOM   67   C  CE2 . TYR   A 1 7   ? 34.28152 -11.19137 1.29777   1.000 33.38565 ? 7   TYR   A CE2 1 
ATOM   68   C  CZ  . TYR   A 1 7   ? 33.32213 -10.21246 1.46060   1.000 32.53723 ? 7   TYR   A CZ  1 
ATOM   69   O  OH  . TYR   A 1 7   ? 32.74447 -9.59232  0.37679   1.000 36.82576 ? 7   TYR   A OH  1 
ATOM   70   N  N   A LEU   A 1 8   ? 35.68200 -14.17191 7.15143   0.546 36.55130 ? 8   LEU   A N   1 
ATOM   71   N  N   B LEU   A 1 8   ? 35.67831 -14.16732 7.15078   0.454 36.57580 ? 8   LEU   A N   1 
ATOM   72   C  CA  A LEU   A 1 8   ? 36.43686 -15.32418 7.64066   0.546 38.67753 ? 8   LEU   A CA  1 
ATOM   73   C  CA  B LEU   A 1 8   ? 36.43332 -15.31128 7.65250   0.454 38.61232 ? 8   LEU   A CA  1 
ATOM   74   C  C   A LEU   A 1 8   ? 35.50142 -16.44850 8.05703   0.546 38.82494 ? 8   LEU   A C   1 
ATOM   75   C  C   B LEU   A 1 8   ? 35.50058 -16.44188 8.05447   0.454 38.82772 ? 8   LEU   A C   1 
ATOM   76   O  O   A LEU   A 1 8   ? 35.77990 -17.62777 7.80889   0.546 37.81193 ? 8   LEU   A O   1 
ATOM   77   O  O   B LEU   A 1 8   ? 35.77902 -17.61801 7.79156   0.454 37.85490 ? 8   LEU   A O   1 
ATOM   78   C  CB  A LEU   A 1 8   ? 37.31900 -14.93373 8.82595   0.546 37.32827 ? 8   LEU   A CB  1 
ATOM   79   C  CB  B LEU   A 1 8   ? 37.28183 -14.89941 8.85109   0.454 37.36113 ? 8   LEU   A CB  1 
ATOM   80   C  CG  A LEU   A 1 8   ? 38.56876 -14.07763 8.60968   0.546 38.90795 ? 8   LEU   A CG  1 
ATOM   81   C  CG  B LEU   A 1 8   ? 38.19747 -15.97821 9.41812   0.454 40.67037 ? 8   LEU   A CG  1 
ATOM   82   C  CD1 A LEU   A 1 8   ? 39.20473 -13.83161 9.95701   0.546 40.22569 ? 8   LEU   A CD1 1 
ATOM   83   C  CD1 B LEU   A 1 8   ? 39.50424 -16.00632 8.63233   0.454 39.37412 ? 8   LEU   A CD1 1 
ATOM   84   C  CD2 A LEU   A 1 8   ? 39.55090 -14.74443 7.65649   0.546 39.62149 ? 8   LEU   A CD2 1 
ATOM   85   C  CD2 B LEU   A 1 8   ? 38.44165 -15.71619 10.88653  0.454 44.11364 ? 8   LEU   A CD2 1 
ATOM   86   N  N   . LEU   A 1 9   ? 34.39018 -16.09902 8.70497   1.000 36.73062 ? 9   LEU   A N   1 
ATOM   87   C  CA  . LEU   A 1 9   ? 33.43373 -17.11336 9.12867   1.000 36.79153 ? 9   LEU   A CA  1 
ATOM   88   C  C   . LEU   A 1 9   ? 32.77824 -17.77304 7.92447   1.000 41.61475 ? 9   LEU   A C   1 
ATOM   89   O  O   . LEU   A 1 9   ? 32.66465 -19.01328 7.85880   1.000 43.31090 ? 9   LEU   A O   1 
ATOM   90   C  CB  . LEU   A 1 9   ? 32.39539 -16.48186 10.04423  1.000 44.10168 ? 9   LEU   A CB  1 
ATOM   91   C  CG  . LEU   A 1 9   ? 32.46475 -16.93999 11.49323  1.000 51.88829 ? 9   LEU   A CG  1 
ATOM   92   C  CD1 . LEU   A 1 9   ? 31.18158 -16.55290 12.17289  1.000 49.44589 ? 9   LEU   A CD1 1 
ATOM   93   C  CD2 . LEU   A 1 9   ? 32.65315 -18.45102 11.55116  1.000 50.54922 ? 9   LEU   A CD2 1 
ATOM   94   N  N   . ALA   A 1 10  ? 32.33969 -16.95735 6.96029   1.000 37.91756 ? 10  ALA   A N   1 
ATOM   95   C  CA  . ALA   A 1 10  ? 31.72259 -17.48990 5.74873   1.000 37.81048 ? 10  ALA   A CA  1 
ATOM   96   C  C   . ALA   A 1 10  ? 32.66576 -18.45312 5.03338   1.000 40.10062 ? 10  ALA   A C   1 
ATOM   97   O  O   . ALA   A 1 10  ? 32.24075 -19.52264 4.57406   1.000 33.16851 ? 10  ALA   A O   1 
ATOM   98   C  CB  . ALA   A 1 10  ? 31.29321 -16.33100 4.83062   1.000 34.09112 ? 10  ALA   A CB  1 
ATOM   99   N  N   . ASN   A 1 11  ? 33.96422 -18.12448 4.97365   1.000 35.23634 ? 11  ASN   A N   1 
ATOM   100  C  CA  . ASN   A 1 11  ? 34.90744 -19.04287 4.33066   1.000 37.02785 ? 11  ASN   A CA  1 
ATOM   101  C  C   . ASN   A 1 11  ? 35.01945 -20.34574 5.09884   1.000 37.90954 ? 11  ASN   A C   1 
ATOM   102  O  O   . ASN   A 1 11  ? 35.10618 -21.43388 4.51034   1.000 41.06350 ? 11  ASN   A O   1 
ATOM   103  C  CB  . ASN   A 1 11  ? 36.28824 -18.38726 4.20343   1.000 39.90585 ? 11  ASN   A CB  1 
ATOM   104  C  CG  . ASN   A 1 11  ? 36.42890 -17.62629 2.92611   1.000 42.23580 ? 11  ASN   A CG  1 
ATOM   105  O  OD1 . ASN   A 1 11  ? 36.19315 -18.16448 1.83740   1.000 44.96368 ? 11  ASN   A OD1 1 
ATOM   106  N  ND2 . ASN   A 1 11  ? 36.78633 -16.35347 3.03744   1.000 46.41528 ? 11  ASN   A ND2 1 
ATOM   107  N  N   . GLN   A 1 12  ? 35.02996 -20.25991 6.41598   1.000 35.71726 ? 12  GLN   A N   1 
ATOM   108  C  CA  . GLN   A 1 12  ? 35.07922 -21.46462 7.22214   1.000 37.03928 ? 12  GLN   A CA  1 
ATOM   109  C  C   . GLN   A 1 12  ? 33.84299 -22.33446 6.97601   1.000 39.73420 ? 12  GLN   A C   1 
ATOM   110  O  O   . GLN   A 1 12  ? 33.94832 -23.56025 6.79072   1.000 34.66884 ? 12  GLN   A O   1 
ATOM   111  C  CB  . GLN   A 1 12  ? 35.21258 -21.03393 8.67627   1.000 44.12167 ? 12  GLN   A CB  1 
ATOM   112  C  CG  . GLN   A 1 12  ? 35.19677 -22.08856 9.74334   1.000 52.38585 ? 12  GLN   A CG  1 
ATOM   113  C  CD  . GLN   A 1 12  ? 35.18364 -21.43620 11.11882  1.000 60.19484 ? 12  GLN   A CD  1 
ATOM   114  O  OE1 . GLN   A 1 12  ? 35.94198 -20.47392 11.36356  1.000 60.08391 ? 12  GLN   A OE1 1 
ATOM   115  N  NE2 . GLN   A 1 12  ? 34.30271 -21.92519 12.01483  1.000 52.07875 ? 12  GLN   A NE2 1 
ATOM   116  N  N   . ILE   A 1 13  ? 32.66988 -21.70861 6.91288   1.000 36.60323 ? 13  ILE   A N   1 
ATOM   117  C  CA  . ILE   A 1 13  ? 31.42982 -22.47011 6.77688   1.000 38.02571 ? 13  ILE   A CA  1 
ATOM   118  C  C   . ILE   A 1 13  ? 31.32704 -23.10224 5.40212   1.000 37.49488 ? 13  ILE   A C   1 
ATOM   119  O  O   . ILE   A 1 13  ? 30.92031 -24.26195 5.27279   1.000 39.18386 ? 13  ILE   A O   1 
ATOM   120  C  CB  . ILE   A 1 13  ? 30.22070 -21.57715 7.05710   1.000 35.12582 ? 13  ILE   A CB  1 
ATOM   121  C  CG1 . ILE   A 1 13  ? 30.18890 -21.14693 8.51494   1.000 35.51330 ? 13  ILE   A CG1 1 
ATOM   122  C  CG2 . ILE   A 1 13  ? 28.92977 -22.31049 6.68174   1.000 33.57521 ? 13  ILE   A CG2 1 
ATOM   123  C  CD1 . ILE   A 1 13  ? 29.10761 -20.10761 8.75782   1.000 39.96231 ? 13  ILE   A CD1 1 
ATOM   124  N  N   . ILE   A 1 14  ? 31.66148 -22.35664 4.34848   1.000 34.52462 ? 14  ILE   A N   1 
ATOM   125  C  CA  . ILE   A 1 14  ? 31.56118 -22.92972 3.00772   1.000 37.84823 ? 14  ILE   A CA  1 
ATOM   126  C  C   . ILE   A 1 14  ? 32.52240 -24.11150 2.86272   1.000 33.70365 ? 14  ILE   A C   1 
ATOM   127  O  O   . ILE   A 1 14  ? 32.19561 -25.12988 2.23327   1.000 35.23640 ? 14  ILE   A O   1 
ATOM   128  C  CB  . ILE   A 1 14  ? 31.79354 -21.84421 1.93876   1.000 33.58268 ? 14  ILE   A CB  1 
ATOM   129  C  CG1 . ILE   A 1 14  ? 31.20585 -22.26057 0.58876   1.000 33.97917 ? 14  ILE   A CG1 1 
ATOM   130  C  CG2 . ILE   A 1 14  ? 33.28539 -21.48043 1.81619   1.000 33.16020 ? 14  ILE   A CG2 1 
ATOM   131  C  CD1 . ILE   A 1 14  ? 29.64544 -22.42915 0.58310   1.000 32.91469 ? 14  ILE   A CD1 1 
ATOM   132  N  N   . GLN   A 1 15  ? 33.69363 -24.02864 3.49955   1.000 39.47391 ? 15  GLN   A N   1 
ATOM   133  C  CA  . GLN   A 1 15  ? 34.63927 -25.13592 3.42562   1.000 36.10427 ? 15  GLN   A CA  1 
ATOM   134  C  C   . GLN   A 1 15  ? 34.10280 -26.35868 4.17176   1.000 39.61802 ? 15  GLN   A C   1 
ATOM   135  O  O   . GLN   A 1 15  ? 34.29974 -27.50330 3.73338   1.000 38.82667 ? 15  GLN   A O   1 
ATOM   136  C  CB  . GLN   A 1 15  ? 35.99652 -24.68334 3.96869   1.000 41.26277 ? 15  GLN   A CB  1 
ATOM   137  C  CG  . GLN   A 1 15  ? 37.15755 -25.59840 3.56300   1.000 54.40927 ? 15  GLN   A CG  1 
ATOM   138  C  CD  . GLN   A 1 15  ? 37.32141 -25.72665 2.03729   1.000 61.12845 ? 15  GLN   A CD  1 
ATOM   139  O  OE1 . GLN   A 1 15  ? 36.70670 -26.60557 1.39818   1.000 55.93223 ? 15  GLN   A OE1 1 
ATOM   140  N  NE2 . GLN   A 1 15  ? 38.15293 -24.84354 1.44672   1.000 62.69621 ? 15  GLN   A NE2 1 
ATOM   141  N  N   . SER   A 1 16  ? 33.40722 -26.14561 5.29406   1.000 37.43684 ? 16  SER   A N   1 
ATOM   142  C  CA  . SER   A 1 16  ? 32.82308 -27.29067 5.98817   1.000 36.40479 ? 16  SER   A CA  1 
ATOM   143  C  C   . SER   A 1 16  ? 31.73482 -27.95973 5.14507   1.000 38.92470 ? 16  SER   A C   1 
ATOM   144  O  O   . SER   A 1 16  ? 31.60102 -29.19845 5.17043   1.000 38.08500 ? 16  SER   A O   1 
ATOM   145  C  CB  . SER   A 1 16  ? 32.29516 -26.87311 7.37404   1.000 38.34447 ? 16  SER   A CB  1 
ATOM   146  O  OG  . SER   A 1 16  ? 31.02945 -26.21587 7.35052   1.000 41.08080 ? 16  SER   A OG  1 
ATOM   147  N  N   . LEU   A 1 17  ? 30.97282 -27.17718 4.37140   1.000 34.88702 ? 17  LEU   A N   1 
ATOM   148  C  CA  . LEU   A 1 17  ? 29.98040 -27.77059 3.47039   1.000 33.36154 ? 17  LEU   A CA  1 
ATOM   149  C  C   . LEU   A 1 17  ? 30.65469 -28.60711 2.38162   1.000 37.03768 ? 17  LEU   A C   1 
ATOM   150  O  O   . LEU   A 1 17  ? 30.20966 -29.72286 2.07905   1.000 34.17583 ? 17  LEU   A O   1 
ATOM   151  C  CB  . LEU   A 1 17  ? 29.12657 -26.67647 2.84313   1.000 31.85472 ? 17  LEU   A CB  1 
ATOM   152  C  CG  . LEU   A 1 17  ? 28.41074 -25.72183 3.80502   1.000 34.75977 ? 17  LEU   A CG  1 
ATOM   153  C  CD1 . LEU   A 1 17  ? 27.41793 -24.83176 3.04288   1.000 30.98979 ? 17  LEU   A CD1 1 
ATOM   154  C  CD2 . LEU   A 1 17  ? 27.66862 -26.45260 4.90329   1.000 37.92442 ? 17  LEU   A CD2 1 
ATOM   155  N  N   . SER   A 1 18  ? 31.73134 -28.08111 1.78293   1.000 34.85693 ? 18  SER   A N   1 
ATOM   156  C  CA  . SER   A 1 18  ? 32.46985 -28.82308 0.76895   1.000 33.35627 ? 18  SER   A CA  1 
ATOM   157  C  C   . SER   A 1 18  ? 32.97355 -30.15930 1.29769   1.000 39.16234 ? 18  SER   A C   1 
ATOM   158  O  O   . SER   A 1 18  ? 33.09458 -31.11635 0.52048   1.000 38.33692 ? 18  SER   A O   1 
ATOM   159  C  CB  . SER   A 1 18  ? 33.69786 -28.02488 0.27139   1.000 38.68271 ? 18  SER   A CB  1 
ATOM   160  O  OG  . SER   A 1 18  ? 33.32876 -26.82327 -0.40248  1.000 38.26543 ? 18  SER   A OG  1 
ATOM   161  N  N   . LYS   A 1 19  ? 33.34572 -30.23147 2.58298   1.000 35.85340 ? 19  LYS   A N   1 
ATOM   162  C  CA  . LYS   A 1 19  ? 33.85958 -31.49263 3.13471   1.000 36.58487 ? 19  LYS   A CA  1 
ATOM   163  C  C   . LYS   A 1 19  ? 32.76359 -32.40164 3.67370   1.000 35.86478 ? 19  LYS   A C   1 
ATOM   164  O  O   . LYS   A 1 19  ? 33.07445 -33.50659 4.13406   1.000 37.66498 ? 19  LYS   A O   1 
ATOM   165  C  CB  . LYS   A 1 19  ? 34.83678 -31.24224 4.28293   1.000 40.24601 ? 19  LYS   A CB  1 
ATOM   166  C  CG  . LYS   A 1 19  ? 36.01021 -30.34868 3.93709   1.000 46.78095 ? 19  LYS   A CG  1 
ATOM   167  C  CD  . LYS   A 1 19  ? 36.81956 -29.96779 5.18676   1.000 57.54928 ? 19  LYS   A CD  1 
ATOM   168  C  CE  . LYS   A 1 19  ? 38.11152 -29.20076 4.82231   1.000 67.38978 ? 19  LYS   A CE  1 
ATOM   169  N  NZ  . LYS   A 1 19  ? 39.29099 -30.11207 4.59814   1.000 77.75862 ? 19  LYS   A NZ  1 
ATOM   170  N  N   . TYR   A 1 20  ? 31.52347 -31.94160 3.69694   1.000 33.71362 ? 20  TYR   A N   1 
ATOM   171  C  CA  . TYR   A 1 20  ? 30.43512 -32.73276 4.25225   1.000 36.17235 ? 20  TYR   A CA  1 
ATOM   172  C  C   . TYR   A 1 20  ? 30.15520 -33.92259 3.35009   1.000 37.01186 ? 20  TYR   A C   1 
ATOM   173  O  O   . TYR   A 1 20  ? 30.45184 -33.90911 2.14975   1.000 36.89958 ? 20  TYR   A O   1 
ATOM   174  C  CB  . TYR   A 1 20  ? 29.16438 -31.89735 4.40969   1.000 38.89474 ? 20  TYR   A CB  1 
ATOM   175  C  CG  . TYR   A 1 20  ? 28.19372 -32.48291 5.40304   1.000 37.59698 ? 20  TYR   A CG  1 
ATOM   176  C  CD1 . TYR   A 1 20  ? 28.36671 -32.27402 6.76716   1.000 40.15319 ? 20  TYR   A CD1 1 
ATOM   177  C  CD2 . TYR   A 1 20  ? 27.11177 -33.24749 4.98567   1.000 42.01538 ? 20  TYR   A CD2 1 
ATOM   178  C  CE1 . TYR   A 1 20  ? 27.47800 -32.80259 7.68415   1.000 46.50353 ? 20  TYR   A CE1 1 
ATOM   179  C  CE2 . TYR   A 1 20  ? 26.23162 -33.80419 5.90436   1.000 43.43441 ? 20  TYR   A CE2 1 
ATOM   180  C  CZ  . TYR   A 1 20  ? 26.41840 -33.55948 7.25273   1.000 42.45838 ? 20  TYR   A CZ  1 
ATOM   181  O  OH  . TYR   A 1 20  ? 25.55385 -34.08966 8.18645   1.000 53.34940 ? 20  TYR   A OH  1 
ATOM   182  N  N   . GLU   A 1 21  ? 29.58196 -34.96380 3.93651   1.000 40.96114 ? 21  GLU   A N   1 
ATOM   183  C  CA  . GLU   A 1 21  ? 29.38875 -36.18625 3.17305   1.000 40.97511 ? 21  GLU   A CA  1 
ATOM   184  C  C   . GLU   A 1 21  ? 28.47175 -35.92381 1.99011   1.000 35.15371 ? 21  GLU   A C   1 
ATOM   185  O  O   . GLU   A 1 21  ? 27.33568 -35.47098 2.15988   1.000 37.12063 ? 21  GLU   A O   1 
ATOM   186  C  CB  . GLU   A 1 21  ? 28.81714 -37.28737 4.06174   1.000 40.09308 ? 21  GLU   A CB  1 
ATOM   187  C  CG  . GLU   A 1 21  ? 28.59453 -38.54709 3.29496   1.000 46.43428 ? 21  GLU   A CG  1 
ATOM   188  C  CD  . GLU   A 1 21  ? 28.31725 -39.71541 4.20847   1.000 45.97539 ? 21  GLU   A CD  1 
ATOM   189  O  OE1 . GLU   A 1 21  ? 27.21356 -39.73274 4.80709   1.000 49.45874 ? 21  GLU   A OE1 1 
ATOM   190  O  OE2 . GLU   A 1 21  ? 29.21687 -40.57577 4.34300   1.000 47.18625 ? 21  GLU   A OE2 1 
ATOM   191  N  N   . GLY   A 1 22  ? 28.96943 -36.21404 0.79030   1.000 32.98895 ? 22  GLY   A N   1 
ATOM   192  C  CA  . GLY   A 1 22  ? 28.24055 -35.94810 -0.42954  1.000 33.92322 ? 22  GLY   A CA  1 
ATOM   193  C  C   . GLY   A 1 22  ? 28.29126 -34.50074 -0.88272  1.000 35.03539 ? 22  GLY   A C   1 
ATOM   194  O  O   . GLY   A 1 22  ? 27.65576 -34.15730 -1.89281  1.000 32.13980 ? 22  GLY   A O   1 
ATOM   195  N  N   . GLY   A 1 23  ? 29.02878 -33.64661 -0.17184  1.000 33.65508 ? 23  GLY   A N   1 
ATOM   196  C  CA  . GLY   A 1 23  ? 29.07428 -32.22087 -0.52352  1.000 33.62941 ? 23  GLY   A CA  1 
ATOM   197  C  C   . GLY   A 1 23  ? 29.69631 -31.94337 -1.87832  1.000 33.17168 ? 23  GLY   A C   1 
ATOM   198  O  O   . GLY   A 1 23  ? 29.48939 -30.85753 -2.44073  1.000 31.99144 ? 23  GLY   A O   1 
ATOM   199  N  N   . HIS   A 1 24  ? 30.43312 -32.91250 -2.43136  1.000 31.54224 ? 24  HIS   A N   1 
ATOM   200  C  CA  . HIS   A 1 24  ? 31.08321 -32.72785 -3.72363  1.000 30.59361 ? 24  HIS   A CA  1 
ATOM   201  C  C   . HIS   A 1 24  ? 30.08029 -32.49458 -4.83056  1.000 32.19039 ? 24  HIS   A C   1 
ATOM   202  O  O   . HIS   A 1 24  ? 30.44242 -31.91006 -5.85554  1.000 34.77270 ? 24  HIS   A O   1 
ATOM   203  C  CB  . HIS   A 1 24  ? 31.93812 -33.94647 -4.07961  1.000 30.47747 ? 24  HIS   A CB  1 
ATOM   204  C  CG  . HIS   A 1 24  ? 31.13763 -35.21120 -4.21714  1.000 32.23627 ? 24  HIS   A CG  1 
ATOM   205  N  ND1 . HIS   A 1 24  ? 30.75229 -35.96099 -3.13034  1.000 33.76228 ? 24  HIS   A ND1 1 
ATOM   206  C  CD2 . HIS   A 1 24  ? 30.64735 -35.84674 -5.31002  1.000 31.13375 ? 24  HIS   A CD2 1 
ATOM   207  C  CE1 . HIS   A 1 24  ? 30.04097 -37.00227 -3.54487  1.000 32.85402 ? 24  HIS   A CE1 1 
ATOM   208  N  NE2 . HIS   A 1 24  ? 29.95042 -36.94655 -4.86328  1.000 32.60771 ? 24  HIS   A NE2 1 
ATOM   209  N  N   . ILE   A 1 25  ? 28.83556 -32.95472 -4.67288  1.000 28.78487 ? 25  ILE   A N   1 
ATOM   210  C  CA  . ILE   A 1 25  ? 27.87464 -32.72269 -5.74010  1.000 24.48175 ? 25  ILE   A CA  1 
ATOM   211  C  C   . ILE   A 1 25  ? 27.52723 -31.26090 -5.86254  1.000 28.89592 ? 25  ILE   A C   1 
ATOM   212  O  O   . ILE   A 1 25  ? 26.97795 -30.85634 -6.89704  1.000 30.41461 ? 25  ILE   A O   1 
ATOM   213  C  CB  . ILE   A 1 25  ? 26.60166 -33.57953 -5.57310  1.000 28.19940 ? 25  ILE   A CB  1 
ATOM   214  C  CG1 . ILE   A 1 25  ? 25.67305 -33.09909 -4.45461  1.000 25.33407 ? 25  ILE   A CG1 1 
ATOM   215  C  CG2 . ILE   A 1 25  ? 27.02566 -35.04657 -5.36065  1.000 28.38230 ? 25  ILE   A CG2 1 
ATOM   216  C  CD1 . ILE   A 1 25  ? 24.25253 -33.88688 -4.44431  1.000 26.22304 ? 25  ILE   A CD1 1 
ATOM   217  N  N   . PHE   A 1 26  ? 27.81392 -30.45748 -4.83687  1.000 28.60076 ? 26  PHE   A N   1 
ATOM   218  C  CA  . PHE   A 1 26  ? 27.51281 -29.01802 -4.89274  1.000 25.80897 ? 26  PHE   A CA  1 
ATOM   219  C  C   . PHE   A 1 26  ? 28.72689 -28.16357 -5.17225  1.000 30.96940 ? 26  PHE   A C   1 
ATOM   220  O  O   . PHE   A 1 26  ? 28.58080 -26.92341 -5.24005  1.000 32.91990 ? 26  PHE   A O   1 
ATOM   221  C  CB  . PHE   A 1 26  ? 26.88257 -28.54826 -3.58915  1.000 27.96132 ? 26  PHE   A CB  1 
ATOM   222  C  CG  . PHE   A 1 26  ? 25.56324 -29.23888 -3.30196  1.000 31.79391 ? 26  PHE   A CG  1 
ATOM   223  C  CD1 . PHE   A 1 26  ? 24.54024 -29.17216 -4.22121  1.000 29.67609 ? 26  PHE   A CD1 1 
ATOM   224  C  CD2 . PHE   A 1 26  ? 25.38029 -29.99613 -2.14300  1.000 33.44549 ? 26  PHE   A CD2 1 
ATOM   225  C  CE1 . PHE   A 1 26  ? 23.29583 -29.86370 -3.97787  1.000 31.11516 ? 26  PHE   A CE1 1 
ATOM   226  C  CE2 . PHE   A 1 26  ? 24.11905 -30.66752 -1.88832  1.000 30.63307 ? 26  PHE   A CE2 1 
ATOM   227  C  CZ  . PHE   A 1 26  ? 23.12407 -30.59563 -2.80977  1.000 28.92805 ? 26  PHE   A CZ  1 
ATOM   228  N  N   . GLU   A 1 27  ? 29.90014 -28.78313 -5.35560  1.000 31.73501 ? 27  GLU   A N   1 
ATOM   229  C  CA  . GLU   A 1 27  ? 31.14411 -28.01495 -5.45149  1.000 30.26761 ? 27  GLU   A CA  1 
ATOM   230  C  C   . GLU   A 1 27  ? 31.20117 -27.22218 -6.74425  1.000 30.59802 ? 27  GLU   A C   1 
ATOM   231  O  O   . GLU   A 1 27  ? 31.53465 -26.02999 -6.73499  1.000 32.23106 ? 27  GLU   A O   1 
ATOM   232  C  CB  . GLU   A 1 27  ? 32.36181 -28.94535 -5.33025  1.000 32.72249 ? 27  GLU   A CB  1 
ATOM   233  C  CG  . GLU   A 1 27  ? 33.70048 -28.15892 -5.14116  1.000 31.75708 ? 27  GLU   A CG  1 
ATOM   234  C  CD  . GLU   A 1 27  ? 33.72165 -27.33677 -3.83999  1.000 38.03099 ? 27  GLU   A CD  1 
ATOM   235  O  OE1 . GLU   A 1 27  ? 33.08980 -27.78522 -2.85766  1.000 35.98074 ? 27  GLU   A OE1 1 
ATOM   236  O  OE2 . GLU   A 1 27  ? 34.34165 -26.23312 -3.79223  1.000 35.57851 ? 27  GLU   A OE2 1 
ATOM   237  N  N   . LYS   A 1 28  ? 30.93794 -27.87504 -7.87250  1.000 30.57906 ? 28  LYS   A N   1 
ATOM   238  C  CA  . LYS   A 1 28  ? 30.96156 -27.26797 -9.20194  1.000 32.90658 ? 28  LYS   A CA  1 
ATOM   239  C  C   . LYS   A 1 28  ? 29.55451 -27.16577 -9.77653  1.000 33.89415 ? 28  LYS   A C   1 
ATOM   240  O  O   . LYS   A 1 28  ? 28.66802 -27.93066 -9.39678  1.000 33.92645 ? 28  LYS   A O   1 
ATOM   241  C  CB  . LYS   A 1 28  ? 31.83088 -28.09364 -10.15295 1.000 27.11172 ? 28  LYS   A CB  1 
ATOM   242  C  CG  . LYS   A 1 28  ? 33.22873 -28.30776 -9.62414  1.000 37.67903 ? 28  LYS   A CG  1 
ATOM   243  C  CD  . LYS   A 1 28  ? 33.92434 -26.94587 -9.31002  1.000 34.12339 ? 28  LYS   A CD  1 
ATOM   244  C  CE  . LYS   A 1 28  ? 35.43155 -27.17095 -9.01723  1.000 43.23127 ? 28  LYS   A CE  1 
ATOM   245  N  NZ  . LYS   A 1 28  ? 36.14181 -25.97050 -8.48074  1.000 43.09062 ? 28  LYS   A NZ  1 
ATOM   246  N  N   . LEU   A 1 29  ? 29.35281 -26.22846 -10.71549 1.000 31.38350 ? 29  LEU   A N   1 
ATOM   247  C  CA  . LEU   A 1 29  ? 28.06007 -26.16975 -11.39821 1.000 33.83010 ? 29  LEU   A CA  1 
ATOM   248  C  C   . LEU   A 1 29  ? 27.83169 -27.44929 -12.19628 1.000 32.82680 ? 29  LEU   A C   1 
ATOM   249  O  O   . LEU   A 1 29  ? 28.77072 -28.08664 -12.68545 1.000 30.86941 ? 29  LEU   A O   1 
ATOM   250  C  CB  . LEU   A 1 29  ? 27.98152 -24.96230 -12.33713 1.000 33.92457 ? 29  LEU   A CB  1 
ATOM   251  C  CG  . LEU   A 1 29  ? 28.00319 -23.59693 -11.65757 1.000 36.50074 ? 29  LEU   A CG  1 
ATOM   252  C  CD1 . LEU   A 1 29  ? 28.50354 -22.50509 -12.62814 1.000 32.04120 ? 29  LEU   A CD1 1 
ATOM   253  C  CD2 . LEU   A 1 29  ? 26.59674 -23.33002 -11.17341 1.000 35.55795 ? 29  LEU   A CD2 1 
ATOM   254  N  N   . VAL   A 1 30  ? 26.55824 -27.82753 -12.29904 1.000 32.40872 ? 30  VAL   A N   1 
ATOM   255  C  CA  . VAL   A 1 30  ? 26.15811 -28.98616 -13.07921 1.000 31.30048 ? 30  VAL   A CA  1 
ATOM   256  C  C   . VAL   A 1 30  ? 26.57607 -28.79828 -14.52786 1.000 33.08571 ? 30  VAL   A C   1 
ATOM   257  O  O   . VAL   A 1 30  ? 26.43125 -27.70885 -15.09939 1.000 34.37316 ? 30  VAL   A O   1 
ATOM   258  C  CB  . VAL   A 1 30  ? 24.62749 -29.14454 -12.93464 1.000 32.82352 ? 30  VAL   A CB  1 
ATOM   259  C  CG1 . VAL   A 1 30  ? 24.07599 -30.16120 -13.89794 1.000 34.32131 ? 30  VAL   A CG1 1 
ATOM   260  C  CG2 . VAL   A 1 30  ? 24.26048 -29.55421 -11.50316 1.000 34.42074 ? 30  VAL   A CG2 1 
ATOM   261  N  N   . ASP   A 1 31  ? 27.12604 -29.83805 -15.11853 1.000 29.31717 ? 31  ASP   A N   1 
ATOM   262  C  CA  . ASP   A 1 31  ? 27.42843 -29.88178 -16.54668 1.000 33.94902 ? 31  ASP   A CA  1 
ATOM   263  C  C   . ASP   A 1 31  ? 26.28652 -30.65291 -17.22182 1.000 38.53530 ? 31  ASP   A C   1 
ATOM   264  O  O   . ASP   A 1 31  ? 26.12423 -31.86232 -16.99207 1.000 38.89350 ? 31  ASP   A O   1 
ATOM   265  C  CB  . ASP   A 1 31  ? 28.80362 -30.52956 -16.77476 1.000 35.34569 ? 31  ASP   A CB  1 
ATOM   266  C  CG  . ASP   A 1 31  ? 29.22968 -30.55016 -18.25210 1.000 37.77404 ? 31  ASP   A CG  1 
ATOM   267  O  OD1 . ASP   A 1 31  ? 28.41217 -30.88822 -19.13941 1.000 42.13269 ? 31  ASP   A OD1 1 
ATOM   268  O  OD2 . ASP   A 1 31  ? 30.39319 -30.23138 -18.54899 1.000 38.25331 ? 31  ASP   A OD2 1 
ATOM   269  N  N   . ALA   A 1 32  ? 25.46561 -29.94649 -18.01945 1.000 35.51058 ? 32  ALA   A N   1 
ATOM   270  C  CA  . ALA   A 1 32  ? 24.22080 -30.54915 -18.52934 1.000 36.66860 ? 32  ALA   A CA  1 
ATOM   271  C  C   . ALA   A 1 32  ? 24.48754 -31.85389 -19.29855 1.000 43.79312 ? 32  ALA   A C   1 
ATOM   272  O  O   . ALA   A 1 32  ? 23.74807 -32.84512 -19.15613 1.000 39.00624 ? 32  ALA   A O   1 
ATOM   273  C  CB  . ALA   A 1 32  ? 23.48763 -29.54164 -19.41424 1.000 38.41594 ? 32  ALA   A CB  1 
ATOM   274  N  N   . LYS   A 1 33  ? 25.53457 -31.86854 -20.12226 1.000 44.41834 ? 33  LYS   A N   1 
ATOM   275  C  CA  . LYS   A 1 33  ? 25.86409 -33.05343 -20.90616 1.000 45.62726 ? 33  LYS   A CA  1 
ATOM   276  C  C   . LYS   A 1 33  ? 26.50629 -34.12406 -20.03807 1.000 49.54633 ? 33  LYS   A C   1 
ATOM   277  O  O   . LYS   A 1 33  ? 26.11464 -35.29471 -20.07946 1.000 46.32165 ? 33  LYS   A O   1 
ATOM   278  C  CB  . LYS   A 1 33  ? 26.80617 -32.68147 -22.05392 1.000 44.69324 ? 33  LYS   A CB  1 
ATOM   279  C  CG  . LYS   A 1 33  ? 26.85157 -33.71159 -23.17074 1.000 53.19265 ? 33  LYS   A CG  1 
ATOM   280  N  N   . LYS   A 1 34  ? 27.48255 -33.73392 -19.22892 1.000 44.45657 ? 34  LYS   A N   1 
ATOM   281  C  CA  . LYS   A 1 34  ? 28.27588 -34.72709 -18.51689 1.000 45.53770 ? 34  LYS   A CA  1 
ATOM   282  C  C   . LYS   A 1 34  ? 27.48734 -35.38463 -17.38337 1.000 39.41511 ? 34  LYS   A C   1 
ATOM   283  O  O   . LYS   A 1 34  ? 27.72500 -36.54311 -17.05842 1.000 38.67426 ? 34  LYS   A O   1 
ATOM   284  C  CB  . LYS   A 1 34  ? 29.55510 -34.06077 -18.00433 1.000 39.27684 ? 34  LYS   A CB  1 
ATOM   285  C  CG  . LYS   A 1 34  ? 30.29726 -34.84442 -16.93786 1.000 48.24845 ? 34  LYS   A CG  1 
ATOM   286  N  N   . GLN   A 1 35  ? 26.57534 -34.66352 -16.75699 1.000 34.54196 ? 35  GLN   A N   1 
ATOM   287  C  CA  . GLN   A 1 35  ? 25.76029 -35.18102 -15.67793 1.000 36.77467 ? 35  GLN   A CA  1 
ATOM   288  C  C   . GLN   A 1 35  ? 24.41937 -35.70551 -16.18084 1.000 36.52811 ? 35  GLN   A C   1 
ATOM   289  O  O   . GLN   A 1 35  ? 23.48915 -35.83393 -15.38337 1.000 37.86150 ? 35  GLN   A O   1 
ATOM   290  C  CB  . GLN   A 1 35  ? 25.52882 -34.09241 -14.61407 1.000 34.59125 ? 35  GLN   A CB  1 
ATOM   291  C  CG  . GLN   A 1 35  ? 26.51339 -34.14985 -13.41938 1.000 36.82294 ? 35  GLN   A CG  1 
ATOM   292  C  CD  . GLN   A 1 35  ? 27.87152 -33.56708 -13.73147 1.000 40.87587 ? 35  GLN   A CD  1 
ATOM   293  O  OE1 . GLN   A 1 35  ? 28.00264 -32.36710 -14.05963 1.000 35.85295 ? 35  GLN   A OE1 1 
ATOM   294  N  NE2 . GLN   A 1 35  ? 28.90869 -34.40166 -13.61000 1.000 36.90997 ? 35  GLN   A NE2 1 
ATOM   295  N  N   . ASN   A 1 36  ? 24.26690 -35.87879 -17.49158 1.000 34.92707 ? 36  ASN   A N   1 
ATOM   296  C  CA  . ASN   A 1 36  ? 23.05391 -36.44810 -18.08602 1.000 40.36508 ? 36  ASN   A CA  1 
ATOM   297  C  C   . ASN   A 1 36  ? 21.78106 -35.72724 -17.65860 1.000 45.31395 ? 36  ASN   A C   1 
ATOM   298  O  O   . ASN   A 1 36  ? 20.77915 -36.35606 -17.28249 1.000 37.78633 ? 36  ASN   A O   1 
ATOM   299  C  CB  . ASN   A 1 36  ? 22.94485 -37.93479 -17.74560 1.000 38.92161 ? 36  ASN   A CB  1 
ATOM   300  C  CG  . ASN   A 1 36  ? 24.07692 -38.70085 -18.26972 1.000 46.13327 ? 36  ASN   A CG  1 
ATOM   301  O  OD1 . ASN   A 1 36  ? 24.41006 -38.58221 -19.44976 1.000 54.49737 ? 36  ASN   A OD1 1 
ATOM   302  N  ND2 . ASN   A 1 36  ? 24.74381 -39.46103 -17.39652 1.000 50.47460 ? 36  ASN   A ND2 1 
ATOM   303  N  N   . CYS   A 1 37  ? 21.80661 -34.39435 -17.70763 1.000 36.80662 ? 37  CYS   A N   1 
ATOM   304  C  CA  A CYS   A 1 37  ? 20.61575 -33.59599 -17.41080 0.548 38.48941 ? 37  CYS   A CA  1 
ATOM   305  C  CA  B CYS   A 1 37  ? 20.64770 -33.56711 -17.38181 0.452 38.47745 ? 37  CYS   A CA  1 
ATOM   306  C  C   . CYS   A 1 37  ? 20.52886 -32.45156 -18.41030 1.000 38.86690 ? 37  CYS   A C   1 
ATOM   307  O  O   . CYS   A 1 37  ? 20.75425 -31.27529 -18.09078 1.000 39.42190 ? 37  CYS   A O   1 
ATOM   308  C  CB  A CYS   A 1 37  ? 20.60179 -33.11458 -15.95977 0.548 37.91645 ? 37  CYS   A CB  1 
ATOM   309  C  CB  B CYS   A 1 37  ? 20.78161 -32.97843 -15.97670 0.452 37.84290 ? 37  CYS   A CB  1 
ATOM   310  S  SG  A CYS   A 1 37  ? 22.14720 -32.60937 -15.27329 0.548 35.64742 ? 37  CYS   A SG  1 
ATOM   311  S  SG  B CYS   A 1 37  ? 20.91056 -34.15057 -14.63446 0.452 38.65139 ? 37  CYS   A SG  1 
ATOM   312  N  N   . PRO   A 1 38  ? 20.16943 -32.77942 -19.65321 1.000 38.99880 ? 38  PRO   A N   1 
ATOM   313  C  CA  . PRO   A 1 38  ? 20.18070 -31.75637 -20.70507 1.000 37.88326 ? 38  PRO   A CA  1 
ATOM   314  C  C   . PRO   A 1 38  ? 19.23550 -30.59933 -20.43165 1.000 39.82014 ? 38  PRO   A C   1 
ATOM   315  O  O   . PRO   A 1 38  ? 19.49219 -29.50222 -20.92568 1.000 38.77515 ? 38  PRO   A O   1 
ATOM   316  C  CB  . PRO   A 1 38  ? 19.79886 -32.53708 -21.96850 1.000 41.10111 ? 38  PRO   A CB  1 
ATOM   317  C  CG  . PRO   A 1 38  ? 19.05816 -33.76042 -21.46455 1.000 43.15480 ? 38  PRO   A CG  1 
ATOM   318  C  CD  . PRO   A 1 38  ? 19.62927 -34.07760 -20.11144 1.000 39.79457 ? 38  PRO   A CD  1 
ATOM   319  N  N   . ASP   A 1 39  ? 18.21425 -30.78450 -19.59687 1.000 39.30461 ? 39  ASP   A N   1 
ATOM   320  C  CA  . ASP   A 1 39  ? 17.22612 -29.75418 -19.31651 1.000 42.64262 ? 39  ASP   A CA  1 
ATOM   321  C  C   . ASP   A 1 39  ? 17.53084 -28.95063 -18.06019 1.000 40.32423 ? 39  ASP   A C   1 
ATOM   322  O  O   . ASP   A 1 39  ? 16.70902 -28.12913 -17.67170 1.000 37.95734 ? 39  ASP   A O   1 
ATOM   323  C  CB  . ASP   A 1 39  ? 15.83050 -30.37385 -19.20604 1.000 39.87102 ? 39  ASP   A CB  1 
ATOM   324  C  CG  . ASP   A 1 39  ? 15.67253 -31.32360 -18.00495 1.000 41.41740 ? 39  ASP   A CG  1 
ATOM   325  O  OD1 . ASP   A 1 39  ? 16.68511 -31.85844 -17.47623 1.000 42.49191 ? 39  ASP   A OD1 1 
ATOM   326  O  OD2 . ASP   A 1 39  ? 14.49783 -31.55305 -17.59600 1.000 42.98984 ? 39  ASP   A OD2 1 
ATOM   327  N  N   . TYR   A 1 40  ? 18.70954 -29.13578 -17.44741 1.000 34.80360 ? 40  TYR   A N   1 
ATOM   328  C  CA  . TYR   A 1 40  ? 18.99573 -28.52059 -16.15021 1.000 33.15803 ? 40  TYR   A CA  1 
ATOM   329  C  C   . TYR   A 1 40  ? 18.84211 -26.99845 -16.18850 1.000 34.70752 ? 40  TYR   A C   1 
ATOM   330  O  O   . TYR   A 1 40  ? 18.18346 -26.41165 -15.32350 1.000 36.39761 ? 40  TYR   A O   1 
ATOM   331  C  CB  . TYR   A 1 40  ? 20.41116 -28.89625 -15.67853 1.000 33.50072 ? 40  TYR   A CB  1 
ATOM   332  C  CG  . TYR   A 1 40  ? 20.69789 -28.37859 -14.28887 1.000 34.72680 ? 40  TYR   A CG  1 
ATOM   333  C  CD1 . TYR   A 1 40  ? 20.18618 -29.02499 -13.17208 1.000 31.17369 ? 40  TYR   A CD1 1 
ATOM   334  C  CD2 . TYR   A 1 40  ? 21.44205 -27.19956 -14.08945 1.000 31.31278 ? 40  TYR   A CD2 1 
ATOM   335  C  CE1 . TYR   A 1 40  ? 20.41436 -28.55895 -11.89351 1.000 33.40937 ? 40  TYR   A CE1 1 
ATOM   336  C  CE2 . TYR   A 1 40  ? 21.66709 -26.72172 -12.80847 1.000 31.67611 ? 40  TYR   A CE2 1 
ATOM   337  C  CZ  . TYR   A 1 40  ? 21.16642 -27.39072 -11.71335 1.000 35.63546 ? 40  TYR   A CZ  1 
ATOM   338  O  OH  . TYR   A 1 40  ? 21.40000 -26.93936 -10.42659 1.000 31.09870 ? 40  TYR   A OH  1 
ATOM   339  N  N   . TYR   A 1 41  ? 19.43340 -26.34112 -17.18109 1.000 32.47587 ? 41  TYR   A N   1 
ATOM   340  C  CA  . TYR   A 1 41  ? 19.43960 -24.88304 -17.18769 1.000 34.90049 ? 41  TYR   A CA  1 
ATOM   341  C  C   . TYR   A 1 41  ? 18.17283 -24.30919 -17.80030 1.000 39.96024 ? 41  TYR   A C   1 
ATOM   342  O  O   . TYR   A 1 41  ? 17.97421 -23.09209 -17.74853 1.000 42.68368 ? 41  TYR   A O   1 
ATOM   343  C  CB  . TYR   A 1 41  ? 20.70594 -24.35662 -17.89351 1.000 33.28464 ? 41  TYR   A CB  1 
ATOM   344  C  CG  . TYR   A 1 41  ? 21.92129 -24.69548 -17.04848 1.000 34.82343 ? 41  TYR   A CG  1 
ATOM   345  C  CD1 . TYR   A 1 41  ? 22.11192 -24.06295 -15.82633 1.000 33.07431 ? 41  TYR   A CD1 1 
ATOM   346  C  CD2 . TYR   A 1 41  ? 22.82578 -25.71124 -17.42000 1.000 32.33829 ? 41  TYR   A CD2 1 
ATOM   347  C  CE1 . TYR   A 1 41  ? 23.21519 -24.35555 -15.01181 1.000 34.13634 ? 41  TYR   A CE1 1 
ATOM   348  C  CE2 . TYR   A 1 41  ? 23.93283 -26.01453 -16.60475 1.000 31.48110 ? 41  TYR   A CE2 1 
ATOM   349  C  CZ  . TYR   A 1 41  ? 24.10436 -25.33456 -15.39266 1.000 30.36624 ? 41  TYR   A CZ  1 
ATOM   350  O  OH  . TYR   A 1 41  ? 25.14487 -25.61296 -14.54534 1.000 32.09088 ? 41  TYR   A OH  1 
ATOM   351  N  N   . ASP   A 1 42  ? 17.30468 -25.16672 -18.33971 1.000 40.69295 ? 42  ASP   A N   1 
ATOM   352  C  CA  . ASP   A 1 42  ? 15.92841 -24.78317 -18.64894 1.000 43.35084 ? 42  ASP   A CA  1 
ATOM   353  C  C   . ASP   A 1 42  ? 15.05696 -24.70520 -17.40385 1.000 40.94240 ? 42  ASP   A C   1 
ATOM   354  O  O   . ASP   A 1 42  ? 14.06700 -23.96167 -17.40007 1.000 45.39252 ? 42  ASP   A O   1 
ATOM   355  C  CB  . ASP   A 1 42  ? 15.34266 -25.77935 -19.65668 1.000 42.55282 ? 42  ASP   A CB  1 
ATOM   356  C  CG  . ASP   A 1 42  ? 16.03839 -25.69145 -20.99688 1.000 44.33214 ? 42  ASP   A CG  1 
ATOM   357  O  OD1 . ASP   A 1 42  ? 16.39823 -24.55347 -21.37507 1.000 46.39484 ? 42  ASP   A OD1 1 
ATOM   358  O  OD2 . ASP   A 1 42  ? 16.24140 -26.72745 -21.65979 1.000 48.00846 ? 42  ASP   A OD2 1 
ATOM   359  N  N   . VAL   A 1 43  ? 15.40910 -25.44257 -16.35287 1.000 35.81150 ? 43  VAL   A N   1 
ATOM   360  C  CA  . VAL   A 1 43  ? 14.67338 -25.43317 -15.09153 1.000 35.11809 ? 43  VAL   A CA  1 
ATOM   361  C  C   . VAL   A 1 43  ? 15.30259 -24.48872 -14.06411 1.000 38.73979 ? 43  VAL   A C   1 
ATOM   362  O  O   . VAL   A 1 43  ? 14.58874 -23.81294 -13.31745 1.000 40.06526 ? 43  VAL   A O   1 
ATOM   363  C  CB  . VAL   A 1 43  ? 14.57911 -26.87037 -14.53894 1.000 35.66171 ? 43  VAL   A CB  1 
ATOM   364  C  CG1 . VAL   A 1 43  ? 13.91072 -26.86599 -13.17732 1.000 34.50575 ? 43  VAL   A CG1 1 
ATOM   365  C  CG2 . VAL   A 1 43  ? 13.84261 -27.74400 -15.52277 1.000 35.62180 ? 43  VAL   A CG2 1 
ATOM   366  N  N   . ILE   A 1 44  ? 16.62986 -24.47091 -13.98439 1.000 37.28256 ? 44  ILE   A N   1 
ATOM   367  C  CA  . ILE   A 1 44  ? 17.37052 -23.74771 -12.95817 1.000 36.02360 ? 44  ILE   A CA  1 
ATOM   368  C  C   . ILE   A 1 44  ? 17.90255 -22.47763 -13.62372 1.000 32.93030 ? 44  ILE   A C   1 
ATOM   369  O  O   . ILE   A 1 44  ? 18.79112 -22.54788 -14.47490 1.000 35.57612 ? 44  ILE   A O   1 
ATOM   370  C  CB  . ILE   A 1 44  ? 18.50783 -24.60896 -12.37617 1.000 30.92249 ? 44  ILE   A CB  1 
ATOM   371  C  CG1 . ILE   A 1 44  ? 17.95225 -25.79166 -11.57264 1.000 27.84303 ? 44  ILE   A CG1 1 
ATOM   372  C  CG2 . ILE   A 1 44  ? 19.42577 -23.79798 -11.49326 1.000 34.62991 ? 44  ILE   A CG2 1 
ATOM   373  C  CD1 . ILE   A 1 44  ? 16.75549 -25.44974 -10.65331 1.000 31.03329 ? 44  ILE   A CD1 1 
ATOM   374  N  N   . LYS   A 1 45  ? 17.30916 -21.32489 -13.30496 1.000 33.79823 ? 45  LYS   A N   1 
ATOM   375  C  CA  . LYS   A 1 45  ? 17.68934 -20.07970 -13.98419 1.000 39.01100 ? 45  LYS   A CA  1 
ATOM   376  C  C   . LYS   A 1 45  ? 18.77925 -19.31122 -13.26068 1.000 37.26399 ? 45  LYS   A C   1 
ATOM   377  O  O   . LYS   A 1 45  ? 19.45022 -18.47855 -13.88629 1.000 37.25429 ? 45  LYS   A O   1 
ATOM   378  C  CB  . LYS   A 1 45  ? 16.48113 -19.15628 -14.15925 1.000 41.53743 ? 45  LYS   A CB  1 
ATOM   379  C  CG  . LYS   A 1 45  ? 15.30488 -19.79551 -14.89222 1.000 47.42229 ? 45  LYS   A CG  1 
ATOM   380  C  CD  . LYS   A 1 45  ? 15.33838 -19.56288 -16.40586 1.000 52.23712 ? 45  LYS   A CD  1 
ATOM   381  C  CE  . LYS   A 1 45  ? 16.30261 -20.50226 -17.13879 1.000 49.12748 ? 45  LYS   A CE  1 
ATOM   382  N  NZ  . LYS   A 1 45  ? 15.69095 -21.02174 -18.40937 1.000 49.67353 ? 45  LYS   A NZ  1 
ATOM   383  N  N   . ASN   A 1 46  ? 18.97439 -19.56733 -11.96479 1.000 35.59670 ? 46  ASN   A N   1 
ATOM   384  C  CA  . ASN   A 1 46  ? 20.00205 -18.90033 -11.16980 1.000 34.69354 ? 46  ASN   A CA  1 
ATOM   385  C  C   . ASN   A 1 46  ? 20.86287 -19.99255 -10.54852 1.000 32.52223 ? 46  ASN   A C   1 
ATOM   386  O  O   . ASN   A 1 46  ? 20.73358 -20.30416 -9.35362  1.000 31.56243 ? 46  ASN   A O   1 
ATOM   387  C  CB  . ASN   A 1 46  ? 19.40474 -17.98972 -10.10047 1.000 34.67985 ? 46  ASN   A CB  1 
ATOM   388  C  CG  . ASN   A 1 46  ? 18.53105 -16.87852 -10.69578 1.000 43.47909 ? 46  ASN   A CG  1 
ATOM   389  O  OD1 . ASN   A 1 46  ? 19.02368 -15.94259 -11.32581 1.000 50.15514 ? 46  ASN   A OD1 1 
ATOM   390  N  ND2 . ASN   A 1 46  ? 17.23657 -17.00105 -10.51090 1.000 48.98047 ? 46  ASN   A ND2 1 
ATOM   391  N  N   . PRO   A 1 47  ? 21.76114 -20.58589 -11.32043 1.000 35.02290 ? 47  PRO   A N   1 
ATOM   392  C  CA  . PRO   A 1 47  ? 22.57640 -21.67292 -10.77940 1.000 34.37261 ? 47  PRO   A CA  1 
ATOM   393  C  C   . PRO   A 1 47  ? 23.64007 -21.14221 -9.82431  1.000 36.76013 ? 47  PRO   A C   1 
ATOM   394  O  O   . PRO   A 1 47  ? 24.04787 -19.97357 -9.87769  1.000 34.07574 ? 47  PRO   A O   1 
ATOM   395  C  CB  . PRO   A 1 47  ? 23.18876 -22.30977 -12.03274 1.000 37.75046 ? 47  PRO   A CB  1 
ATOM   396  C  CG  . PRO   A 1 47  ? 23.24046 -21.21527 -13.01656 1.000 37.10264 ? 47  PRO   A CG  1 
ATOM   397  C  CD  . PRO   A 1 47  ? 22.03396 -20.35520 -12.74847 1.000 36.91023 ? 47  PRO   A CD  1 
ATOM   398  N  N   . MET   A 1 48  ? 24.07987 -22.03133 -8.92876  1.000 31.60875 ? 48  MET   A N   1 
ATOM   399  C  CA  . MET   A 1 48  ? 24.97311 -21.67816 -7.83450  1.000 33.64555 ? 48  MET   A CA  1 
ATOM   400  C  C   . MET   A 1 48  ? 25.65076 -22.93253 -7.31294  1.000 35.79751 ? 48  MET   A C   1 
ATOM   401  O  O   . MET   A 1 48  ? 25.02190 -23.98857 -7.22610  1.000 29.93613 ? 48  MET   A O   1 
ATOM   402  C  CB  . MET   A 1 48  ? 24.22054 -20.99531 -6.68678  1.000 33.44477 ? 48  MET   A CB  1 
ATOM   403  C  CG  . MET   A 1 48  ? 25.12249 -20.42005 -5.61333  1.000 31.98404 ? 48  MET   A CG  1 
ATOM   404  S  SD  . MET   A 1 48  ? 26.14038 -19.01737 -6.26852  1.000 34.99061 ? 48  MET   A SD  1 
ATOM   405  C  CE  . MET   A 1 48  ? 24.80684 -17.87944 -6.78131  1.000 34.18483 ? 48  MET   A CE  1 
ATOM   406  N  N   . SER   A 1 49  ? 26.92545 -22.79752 -6.93560  1.000 32.07881 ? 49  SER   A N   1 
ATOM   407  C  CA  . SER   A 1 49  ? 27.71883 -23.89910 -6.39041  1.000 31.97568 ? 49  SER   A CA  1 
ATOM   408  C  C   . SER   A 1 49  ? 28.61814 -23.37576 -5.27955  1.000 31.69473 ? 49  SER   A C   1 
ATOM   409  O  O   . SER   A 1 49  ? 28.85344 -22.16196 -5.16373  1.000 32.64215 ? 49  SER   A O   1 
ATOM   410  C  CB  . SER   A 1 49  ? 28.60265 -24.54412 -7.45803  1.000 34.69022 ? 49  SER   A CB  1 
ATOM   411  O  OG  . SER   A 1 49  ? 29.60457 -23.60915 -7.85984  1.000 35.38261 ? 49  SER   A OG  1 
ATOM   412  N  N   . PHE   A 1 50  ? 29.16727 -24.29961 -4.48978  1.000 29.99719 ? 50  PHE   A N   1 
ATOM   413  C  CA  . PHE   A 1 50  ? 30.12331 -23.90950 -3.44876  1.000 35.58104 ? 50  PHE   A CA  1 
ATOM   414  C  C   . PHE   A 1 50  ? 31.28858 -23.11734 -4.03880  1.000 34.41228 ? 50  PHE   A C   1 
ATOM   415  O  O   . PHE   A 1 50  ? 31.78940 -22.16247 -3.42256  1.000 30.75136 ? 50  PHE   A O   1 
ATOM   416  C  CB  . PHE   A 1 50  ? 30.66509 -25.13580 -2.70514  1.000 33.87826 ? 50  PHE   A CB  1 
ATOM   417  C  CG  . PHE   A 1 50  ? 29.63235 -25.87967 -1.90668  1.000 33.31488 ? 50  PHE   A CG  1 
ATOM   418  C  CD1 . PHE   A 1 50  ? 28.42426 -25.28696 -1.56958  1.000 31.67160 ? 50  PHE   A CD1 1 
ATOM   419  C  CD2 . PHE   A 1 50  ? 29.89393 -27.17907 -1.47093  1.000 32.12421 ? 50  PHE   A CD2 1 
ATOM   420  C  CE1 . PHE   A 1 50  ? 27.44331 -25.97781 -0.83163  1.000 33.18225 ? 50  PHE   A CE1 1 
ATOM   421  C  CE2 . PHE   A 1 50  ? 28.92646 -27.89540 -0.73079  1.000 31.98700 ? 50  PHE   A CE2 1 
ATOM   422  C  CZ  . PHE   A 1 50  ? 27.71602 -27.30059 -0.40663  1.000 33.62290 ? 50  PHE   A CZ  1 
ATOM   423  N  N   . SER   A 1 51  ? 31.73052 -23.49551 -5.24000  1.000 32.40801 ? 51  SER   A N   1 
ATOM   424  C  CA  . SER   A 1 51  ? 32.87651 -22.81226 -5.82608  1.000 35.37480 ? 51  SER   A CA  1 
ATOM   425  C  C   . SER   A 1 51  ? 32.52193 -21.38584 -6.24887  1.000 35.07984 ? 51  SER   A C   1 
ATOM   426  O  O   . SER   A 1 51  ? 33.38448 -20.49731 -6.18332  1.000 32.90333 ? 51  SER   A O   1 
ATOM   427  C  CB  . SER   A 1 51  ? 33.43040 -23.62424 -6.99554  1.000 32.70932 ? 51  SER   A CB  1 
ATOM   428  O  OG  . SER   A 1 51  ? 32.54808 -23.65049 -8.09626  1.000 37.45116 ? 51  SER   A OG  1 
ATOM   429  N  N   . CYS   A 1 52  ? 31.27232 -21.13799 -6.66479  1.000 35.75425 ? 52  CYS   A N   1 
ATOM   430  C  CA  . CYS   A 1 52  ? 30.83458 -19.76589 -6.94656  1.000 31.38434 ? 52  CYS   A CA  1 
ATOM   431  C  C   . CYS   A 1 52  ? 30.87499 -18.92160 -5.69053  1.000 37.93620 ? 52  CYS   A C   1 
ATOM   432  O  O   . CYS   A 1 52  ? 31.30499 -17.75615 -5.71320  1.000 36.13355 ? 52  CYS   A O   1 
ATOM   433  C  CB  . CYS   A 1 52  ? 29.40388 -19.75265 -7.49998  1.000 39.16227 ? 52  CYS   A CB  1 
ATOM   434  S  SG  . CYS   A 1 52  ? 29.08593 -20.77816 -8.98922  1.000 42.85582 ? 52  CYS   A SG  1 
ATOM   435  N  N   . VAL   A 1 53  ? 30.36760 -19.46451 -4.58969  1.000 33.25499 ? 53  VAL   A N   1 
ATOM   436  C  CA  . VAL   A 1 53  ? 30.39394 -18.71205 -3.34002  1.000 35.32645 ? 53  VAL   A CA  1 
ATOM   437  C  C   . VAL   A 1 53  ? 31.83817 -18.41470 -2.91273  1.000 36.17581 ? 53  VAL   A C   1 
ATOM   438  O  O   . VAL   A 1 53  ? 32.17201 -17.27784 -2.54541  1.000 32.65986 ? 53  VAL   A O   1 
ATOM   439  C  CB  . VAL   A 1 53  ? 29.60259 -19.47610 -2.26563  1.000 37.06746 ? 53  VAL   A CB  1 
ATOM   440  C  CG1 . VAL   A 1 53  ? 29.72044 -18.77606 -0.93058  1.000 39.05471 ? 53  VAL   A CG1 1 
ATOM   441  C  CG2 . VAL   A 1 53  ? 28.09796 -19.64095 -2.70680  1.000 30.14291 ? 53  VAL   A CG2 1 
ATOM   442  N  N   . LYS   A 1 54  ? 32.72684 -19.41400 -2.98359  1.000 29.34833 ? 54  LYS   A N   1 
ATOM   443  C  CA  . LYS   A 1 54  ? 34.13650 -19.18006 -2.64912  1.000 30.32307 ? 54  LYS   A CA  1 
ATOM   444  C  C   . LYS   A 1 54  ? 34.75793 -18.08322 -3.51417  1.000 35.98276 ? 54  LYS   A C   1 
ATOM   445  O  O   . LYS   A 1 54  ? 35.58812 -17.28456 -3.03899  1.000 32.73644 ? 54  LYS   A O   1 
ATOM   446  C  CB  . LYS   A 1 54  ? 34.92261 -20.49535 -2.80913  1.000 34.21122 ? 54  LYS   A CB  1 
ATOM   447  C  CG  . LYS   A 1 54  ? 34.48423 -21.56477 -1.82833  1.000 29.38859 ? 54  LYS   A CG  1 
ATOM   448  C  CD  . LYS   A 1 54  ? 35.20510 -22.90473 -2.15760  1.000 32.75820 ? 54  LYS   A CD  1 
ATOM   449  C  CE  . LYS   A 1 54  ? 34.88826 -23.95698 -1.12370  1.000 33.39819 ? 54  LYS   A CE  1 
ATOM   450  N  NZ  . LYS   A 1 54  ? 35.62425 -25.26962 -1.43930  1.000 34.25130 ? 54  LYS   A NZ  1 
ATOM   451  N  N   . THR   A 1 55  ? 34.39328 -18.03540 -4.79344  1.000 33.35619 ? 55  THR   A N   1 
ATOM   452  C  CA  . THR   A 1 55  ? 34.91937 -16.97962 -5.65571  1.000 36.05778 ? 55  THR   A CA  1 
ATOM   453  C  C   . THR   A 1 55  ? 34.43436 -15.59693 -5.20717  1.000 35.08434 ? 55  THR   A C   1 
ATOM   454  O  O   . THR   A 1 55  ? 35.21906 -14.63127 -5.16920  1.000 34.02066 ? 55  THR   A O   1 
ATOM   455  C  CB  . THR   A 1 55  ? 34.51496 -17.27749 -7.09901  1.000 36.88843 ? 55  THR   A CB  1 
ATOM   456  O  OG1 . THR   A 1 55  ? 35.27909 -18.40967 -7.55268  1.000 33.84591 ? 55  THR   A OG1 1 
ATOM   457  C  CG2 . THR   A 1 55  ? 34.77840 -16.05967 -8.00408  1.000 39.16267 ? 55  THR   A CG2 1 
ATOM   458  N  N   . LYS   A 1 56  ? 33.15085 -15.48603 -4.85560  1.000 31.13505 ? 56  LYS   A N   1 
ATOM   459  C  CA  . LYS   A 1 56  ? 32.61076 -14.22167 -4.36442  1.000 32.85099 ? 56  LYS   A CA  1 
ATOM   460  C  C   . LYS   A 1 56  ? 33.26523 -13.80937 -3.05186  1.000 34.71724 ? 56  LYS   A C   1 
ATOM   461  O  O   . LYS   A 1 56  ? 33.54891 -12.62171 -2.83190  1.000 34.93270 ? 56  LYS   A O   1 
ATOM   462  C  CB  . LYS   A 1 56  ? 31.09340 -14.34459 -4.20717  1.000 32.09164 ? 56  LYS   A CB  1 
ATOM   463  C  CG  . LYS   A 1 56  ? 30.35965 -14.46456 -5.53114  1.000 36.51129 ? 56  LYS   A CG  1 
ATOM   464  C  CD  . LYS   A 1 56  ? 28.84856 -14.59081 -5.26648  1.000 37.28590 ? 56  LYS   A CD  1 
ATOM   465  C  CE  . LYS   A 1 56  ? 28.00225 -13.99459 -6.36686  1.000 44.05362 ? 56  LYS   A CE  1 
ATOM   466  N  NZ  . LYS   A 1 56  ? 26.53284 -13.99701 -5.99543  1.000 36.80395 ? 56  LYS   A NZ  1 
ATOM   467  N  N   . LEU   A 1 57  ? 33.53571 -14.77289 -2.17151  1.000 30.49219 ? 57  LEU   A N   1 
ATOM   468  C  CA  . LEU   A 1 57  ? 34.24606 -14.44735 -0.94095  1.000 34.00562 ? 57  LEU   A CA  1 
ATOM   469  C  C   . LEU   A 1 57  ? 35.69437 -14.03661 -1.22862  1.000 37.33173 ? 57  LEU   A C   1 
ATOM   470  O  O   . LEU   A 1 57  ? 36.20356 -13.08711 -0.62143  1.000 34.97119 ? 57  LEU   A O   1 
ATOM   471  C  CB  . LEU   A 1 57  ? 34.20239 -15.62518 0.01913   1.000 33.33260 ? 57  LEU   A CB  1 
ATOM   472  C  CG  . LEU   A 1 57  ? 32.85512 -15.90102 0.65669   1.000 36.77957 ? 57  LEU   A CG  1 
ATOM   473  C  CD1 . LEU   A 1 57  ? 32.96319 -17.35305 1.20760   1.000 33.22139 ? 57  LEU   A CD1 1 
ATOM   474  C  CD2 . LEU   A 1 57  ? 32.59098 -14.91423 1.77088   1.000 30.40518 ? 57  LEU   A CD2 1 
ATOM   475  N  N   . LYS   A 1 58  ? 36.35985 -14.71280 -2.17011  1.000 29.94383 ? 58  LYS   A N   1 
ATOM   476  C  CA  . LYS   A 1 58  ? 37.75121 -14.37435 -2.47310  1.000 35.35257 ? 58  LYS   A CA  1 
ATOM   477  C  C   . LYS   A 1 58  ? 37.86098 -12.96867 -3.04842  1.000 34.03339 ? 58  LYS   A C   1 
ATOM   478  O  O   . LYS   A 1 58  ? 38.73736 -12.18240 -2.63890  1.000 35.73350 ? 58  LYS   A O   1 
ATOM   479  C  CB  . LYS   A 1 58  ? 38.34967 -15.40813 -3.44348  1.000 31.85577 ? 58  LYS   A CB  1 
ATOM   480  C  CG  . LYS   A 1 58  ? 39.76022 -15.07259 -3.98232  1.000 34.24178 ? 58  LYS   A CG  1 
ATOM   481  C  CD  . LYS   A 1 58  ? 40.15605 -16.02223 -5.12417  1.000 36.69648 ? 58  LYS   A CD  1 
ATOM   482  C  CE  . LYS   A 1 58  ? 41.61811 -15.89074 -5.55010  1.000 45.67784 ? 58  LYS   A CE  1 
ATOM   483  N  NZ  . LYS   A 1 58  ? 41.93621 -16.64104 -6.80679  1.000 49.83998 ? 58  LYS   A NZ  1 
ATOM   484  N  N   . LYS   A 1 59  ? 36.95997 -12.61865 -3.96979  1.000 32.00437 ? 59  LYS   A N   1 
ATOM   485  C  CA  . LYS   A 1 59  ? 37.02529 -11.37977 -4.73274  1.000 37.06925 ? 59  LYS   A CA  1 
ATOM   486  C  C   . LYS   A 1 59  ? 36.45288 -10.16776 -3.99224  1.000 37.40661 ? 59  LYS   A C   1 
ATOM   487  O  O   . LYS   A 1 59  ? 36.62089 -9.04386  -4.47734  1.000 33.37567 ? 59  LYS   A O   1 
ATOM   488  C  CB  . LYS   A 1 59  ? 36.26074 -11.54682 -6.05369  1.000 36.93102 ? 59  LYS   A CB  1 
ATOM   489  C  CG  . LYS   A 1 59  ? 36.76142 -12.65770 -6.95581  1.000 32.75230 ? 59  LYS   A CG  1 
ATOM   490  C  CD  . LYS   A 1 59  ? 38.00663 -12.35211 -7.67991  1.000 37.75870 ? 59  LYS   A CD  1 
ATOM   491  C  CE  . LYS   A 1 59  ? 38.21735 -13.38612 -8.77763  1.000 40.47211 ? 59  LYS   A CE  1 
ATOM   492  N  NZ  . LYS   A 1 59  ? 39.55202 -13.19410 -9.37275  1.000 40.35095 ? 59  LYS   A NZ  1 
ATOM   493  N  N   . GLY   A 1 60  ? 35.75209 -10.37355 -2.87801  1.000 34.80688 ? 60  GLY   A N   1 
ATOM   494  C  CA  . GLY   A 1 60  ? 35.06922 -9.30053  -2.17959  1.000 35.93780 ? 60  GLY   A CA  1 
ATOM   495  C  C   . GLY   A 1 60  ? 33.73916 -8.89374  -2.76629  1.000 39.44691 ? 60  GLY   A C   1 
ATOM   496  O  O   . GLY   A 1 60  ? 33.38246 -7.70069  -2.72148  1.000 37.54198 ? 60  GLY   A O   1 
ATOM   497  N  N   . GLN   A 1 61  ? 32.94967 -9.85277  -3.27393  1.000 35.22973 ? 61  GLN   A N   1 
ATOM   498  C  CA  . GLN   A 1 61  ? 31.71416 -9.50161  -3.95627  1.000 34.20664 ? 61  GLN   A CA  1 
ATOM   499  C  C   . GLN   A 1 61  ? 30.52856 -9.36081  -3.01978  1.000 41.01844 ? 61  GLN   A C   1 
ATOM   500  O  O   . GLN   A 1 61  ? 29.48099 -8.87498  -3.45734  1.000 44.24664 ? 61  GLN   A O   1 
ATOM   501  C  CB  . GLN   A 1 61  ? 31.34689 -10.52952 -5.03140  1.000 38.06348 ? 61  GLN   A CB  1 
ATOM   502  C  CG  . GLN   A 1 61  ? 32.31726 -10.68768 -6.18496  1.000 40.19521 ? 61  GLN   A CG  1 
ATOM   503  C  CD  . GLN   A 1 61  ? 31.73646 -11.54962 -7.29847  1.000 37.38854 ? 61  GLN   A CD  1 
ATOM   504  O  OE1 . GLN   A 1 61  ? 30.56941 -11.40032 -7.66925  1.000 40.28564 ? 61  GLN   A OE1 1 
ATOM   505  N  NE2 . GLN   A 1 61  ? 32.54052 -12.48221 -7.81066  1.000 38.93946 ? 61  GLN   A NE2 1 
ATOM   506  N  N   . TYR   A 1 62  ? 30.64910 -9.73908  -1.75265  1.000 35.54250 ? 62  TYR   A N   1 
ATOM   507  C  CA  . TYR   A 1 62  ? 29.53104 -9.60364  -0.81493  1.000 35.49704 ? 62  TYR   A CA  1 
ATOM   508  C  C   . TYR   A 1 62  ? 29.69656 -8.31288  -0.00274  1.000 32.46111 ? 62  TYR   A C   1 
ATOM   509  O  O   . TYR   A 1 62  ? 30.78821 -8.05373  0.51772   1.000 37.41908 ? 62  TYR   A O   1 
ATOM   510  C  CB  . TYR   A 1 62  ? 29.47879 -10.78029 0.14735   1.000 39.14254 ? 62  TYR   A CB  1 
ATOM   511  C  CG  . TYR   A 1 62  ? 29.11659 -12.11018 -0.48044  1.000 35.15236 ? 62  TYR   A CG  1 
ATOM   512  C  CD1 . TYR   A 1 62  ? 27.99377 -12.22135 -1.28884  1.000 37.77986 ? 62  TYR   A CD1 1 
ATOM   513  C  CD2 . TYR   A 1 62  ? 29.87546 -13.23677 -0.23865  1.000 35.18229 ? 62  TYR   A CD2 1 
ATOM   514  C  CE1 . TYR   A 1 62  ? 27.60948 -13.44973 -1.83803  1.000 35.10845 ? 62  TYR   A CE1 1 
ATOM   515  C  CE2 . TYR   A 1 62  ? 29.49378 -14.49730 -0.78278  1.000 36.03328 ? 62  TYR   A CE2 1 
ATOM   516  C  CZ  . TYR   A 1 62  ? 28.37781 -14.57451 -1.58797  1.000 37.38967 ? 62  TYR   A CZ  1 
ATOM   517  O  OH  . TYR   A 1 62  ? 27.98032 -15.77939 -2.15130  1.000 34.87571 ? 62  TYR   A OH  1 
ATOM   518  N  N   . GLY   A 1 63  ? 28.60531 -7.56159  0.15373   1.000 35.57519 ? 63  GLY   A N   1 
ATOM   519  C  CA  . GLY   A 1 63  ? 28.57924 -6.39868  1.03119   1.000 41.07694 ? 63  GLY   A CA  1 
ATOM   520  C  C   . GLY   A 1 63  ? 27.90523 -6.58474  2.38302   1.000 42.53125 ? 63  GLY   A C   1 
ATOM   521  O  O   . GLY   A 1 63  ? 28.16982 -5.82850  3.32671   1.000 40.62394 ? 63  GLY   A O   1 
ATOM   522  N  N   . LEU   A 1 64  ? 27.05344 -7.59915  2.50812   1.000 37.24496 ? 64  LEU   A N   1 
ATOM   523  C  CA  . LEU   A 1 64  ? 26.24716 -7.86833  3.69273   1.000 36.03487 ? 64  LEU   A CA  1 
ATOM   524  C  C   . LEU   A 1 64  ? 26.29991 -9.35924  3.99250   1.000 40.95787 ? 64  LEU   A C   1 
ATOM   525  O  O   . LEU   A 1 64  ? 26.34237 -10.16714 3.06102   1.000 40.57954 ? 64  LEU   A O   1 
ATOM   526  C  CB  . LEU   A 1 64  ? 24.79235 -7.45721  3.45969   1.000 41.17692 ? 64  LEU   A CB  1 
ATOM   527  C  CG  . LEU   A 1 64  ? 24.60129 -5.95339  3.25293   1.000 43.37325 ? 64  LEU   A CG  1 
ATOM   528  C  CD1 . LEU   A 1 64  ? 23.12969 -5.66764  2.95052   1.000 47.96329 ? 64  LEU   A CD1 1 
ATOM   529  C  CD2 . LEU   A 1 64  ? 25.04239 -5.25937  4.51377   1.000 40.44695 ? 64  LEU   A CD2 1 
ATOM   530  N  N   . PRO   A 1 65  ? 26.31265 -9.75735  5.26982   1.000 39.40130 ? 65  PRO   A N   1 
ATOM   531  C  CA  . PRO   A 1 65  ? 26.48405 -11.18662 5.58188   1.000 41.77150 ? 65  PRO   A CA  1 
ATOM   532  C  C   . PRO   A 1 65  ? 25.32189 -12.03159 5.10506   1.000 38.32677 ? 65  PRO   A C   1 
ATOM   533  O  O   . PRO   A 1 65  ? 25.51657 -13.23345 4.86308   1.000 37.26714 ? 65  PRO   A O   1 
ATOM   534  C  CB  . PRO   A 1 65  ? 26.61012 -11.21203 7.11400   1.000 43.47557 ? 65  PRO   A CB  1 
ATOM   535  C  CG  . PRO   A 1 65  ? 26.72362 -9.72000  7.54400   1.000 43.39740 ? 65  PRO   A CG  1 
ATOM   536  C  CD  . PRO   A 1 65  ? 26.02362 -8.96186  6.47246   1.000 44.14252 ? 65  PRO   A CD  1 
ATOM   537  N  N   . THR   A 1 66  ? 24.13787 -11.43502 4.94421   1.000 38.98410 ? 66  THR   A N   1 
ATOM   538  C  CA  . THR   A 1 66  ? 22.97598 -12.17065 4.44734   1.000 39.87049 ? 66  THR   A CA  1 
ATOM   539  C  C   . THR   A 1 66  ? 23.12733 -12.57558 2.98771   1.000 38.31127 ? 66  THR   A C   1 
ATOM   540  O  O   . THR   A 1 66  ? 22.45481 -13.52284 2.54708   1.000 37.51255 ? 66  THR   A O   1 
ATOM   541  C  CB  . THR   A 1 66  ? 21.67487 -11.35763 4.59819   1.000 40.18879 ? 66  THR   A CB  1 
ATOM   542  O  OG1 . THR   A 1 66  ? 21.86211 -10.02617 4.09398   1.000 48.32298 ? 66  THR   A OG1 1 
ATOM   543  C  CG2 . THR   A 1 66  ? 21.22486 -11.30429 6.03946   1.000 39.25715 ? 66  THR   A CG2 1 
ATOM   544  N  N   . GLU   A 1 67  ? 23.98206 -11.88158 2.22777   1.000 36.24478 ? 67  GLU   A N   1 
ATOM   545  C  CA  . GLU   A 1 67  ? 24.15629 -12.24697 0.82996   1.000 36.42308 ? 67  GLU   A CA  1 
ATOM   546  C  C   . GLU   A 1 67  ? 24.81311 -13.61970 0.71364   1.000 37.42810 ? 67  GLU   A C   1 
ATOM   547  O  O   . GLU   A 1 67  ? 24.49957 -14.38201 -0.20364  1.000 36.18790 ? 67  GLU   A O   1 
ATOM   548  C  CB  . GLU   A 1 67  ? 24.98107 -11.19095 0.10436   1.000 34.59158 ? 67  GLU   A CB  1 
ATOM   549  C  CG  . GLU   A 1 67  ? 24.27082 -9.85630  -0.00644  1.000 37.64254 ? 67  GLU   A CG  1 
ATOM   550  C  CD  . GLU   A 1 67  ? 25.21061 -8.69811  -0.34345  1.000 43.63471 ? 67  GLU   A CD  1 
ATOM   551  O  OE1 . GLU   A 1 67  ? 26.29697 -8.90480  -0.90940  1.000 43.98523 ? 67  GLU   A OE1 1 
ATOM   552  O  OE2 . GLU   A 1 67  ? 24.84486 -7.55737  -0.05086  1.000 49.22024 ? 67  GLU   A OE2 1 
ATOM   553  N  N   . PHE   A 1 68  ? 25.73491 -13.93097 1.62581   1.000 32.56503 ? 68  PHE   A N   1 
ATOM   554  C  CA  . PHE   A 1 68  ? 26.31800 -15.26724 1.67074   1.000 34.73391 ? 68  PHE   A CA  1 
ATOM   555  C  C   . PHE   A 1 68  ? 25.24067 -16.31995 1.90959   1.000 37.47113 ? 68  PHE   A C   1 
ATOM   556  O  O   . PHE   A 1 68  ? 25.18161 -17.33873 1.20693   1.000 36.03627 ? 68  PHE   A O   1 
ATOM   557  C  CB  . PHE   A 1 68  ? 27.38825 -15.31589 2.76457   1.000 36.24951 ? 68  PHE   A CB  1 
ATOM   558  C  CG  . PHE   A 1 68  ? 27.89295 -16.72130 3.10510   1.000 35.23612 ? 68  PHE   A CG  1 
ATOM   559  C  CD1 . PHE   A 1 68  ? 28.71879 -17.42022 2.23865   1.000 32.57882 ? 68  PHE   A CD1 1 
ATOM   560  C  CD2 . PHE   A 1 68  ? 27.57619 -17.30115 4.32744   1.000 36.16667 ? 68  PHE   A CD2 1 
ATOM   561  C  CE1 . PHE   A 1 68  ? 29.20887 -18.69680 2.58976   1.000 33.50798 ? 68  PHE   A CE1 1 
ATOM   562  C  CE2 . PHE   A 1 68  ? 28.04832 -18.58370 4.67895   1.000 35.09898 ? 68  PHE   A CE2 1 
ATOM   563  C  CZ  . PHE   A 1 68  ? 28.86710 -19.27619 3.81312   1.000 30.18449 ? 68  PHE   A CZ  1 
ATOM   564  N  N   . ILE   A 1 69  ? 24.38472 -16.09425 2.90724   1.000 35.11072 ? 69  ILE   A N   1 
ATOM   565  C  CA  . ILE   A 1 69  ? 23.31765 -17.05278 3.19574   1.000 37.08780 ? 69  ILE   A CA  1 
ATOM   566  C  C   . ILE   A 1 69  ? 22.41112 -17.23217 1.98266   1.000 39.52312 ? 69  ILE   A C   1 
ATOM   567  O  O   . ILE   A 1 69  ? 22.03427 -18.35632 1.62949   1.000 34.61881 ? 69  ILE   A O   1 
ATOM   568  C  CB  . ILE   A 1 69  ? 22.51458 -16.60566 4.43487   1.000 41.98117 ? 69  ILE   A CB  1 
ATOM   569  C  CG1 . ILE   A 1 69  ? 23.40618 -16.62180 5.68332   1.000 38.06856 ? 69  ILE   A CG1 1 
ATOM   570  C  CG2 . ILE   A 1 69  ? 21.30264 -17.53580 4.66467   1.000 35.92176 ? 69  ILE   A CG2 1 
ATOM   571  C  CD1 . ILE   A 1 69  ? 22.77229 -15.92897 6.90580   1.000 38.51384 ? 69  ILE   A CD1 1 
ATOM   572  N  N   . LYS   A 1 70  ? 22.02666 -16.13306 1.33733   1.000 37.72702 ? 70  LYS   A N   1 
ATOM   573  C  CA  . LYS   A 1 70  ? 21.11158 -16.24366 0.19991   1.000 36.52074 ? 70  LYS   A CA  1 
ATOM   574  C  C   . LYS   A 1 70  ? 21.68395 -17.14298 -0.89258  1.000 35.82102 ? 70  LYS   A C   1 
ATOM   575  O  O   . LYS   A 1 70  ? 20.96097 -17.96441 -1.46353  1.000 35.05225 ? 70  LYS   A O   1 
ATOM   576  C  CB  . LYS   A 1 70  ? 20.78571 -14.85646 -0.36471  1.000 37.65491 ? 70  LYS   A CB  1 
ATOM   577  C  CG  . LYS   A 1 70  ? 19.55719 -14.24877 0.23621   1.000 50.43325 ? 70  LYS   A CG  1 
ATOM   578  C  CD  . LYS   A 1 70  ? 19.53456 -14.41133 1.75880   1.000 48.75216 ? 70  LYS   A CD  1 
ATOM   579  N  N   . ASP   A 1 71  ? 22.97682 -16.98019 -1.21494  1.000 32.42255 ? 71  ASP   A N   1 
ATOM   580  C  CA  . ASP   A 1 71  ? 23.57830 -17.78401 -2.26929  1.000 33.03280 ? 71  ASP   A CA  1 
ATOM   581  C  C   . ASP   A 1 71  ? 23.64044 -19.25620 -1.86528  1.000 33.53663 ? 71  ASP   A C   1 
ATOM   582  O  O   . ASP   A 1 71  ? 23.36599 -20.13568 -2.68412  1.000 33.81577 ? 71  ASP   A O   1 
ATOM   583  C  CB  . ASP   A 1 71  ? 24.98787 -17.28584 -2.60263  1.000 34.45150 ? 71  ASP   A CB  1 
ATOM   584  C  CG  . ASP   A 1 71  ? 24.98250 -16.03987 -3.47856  1.000 33.73031 ? 71  ASP   A CG  1 
ATOM   585  O  OD1 . ASP   A 1 71  ? 23.88275 -15.63378 -3.91764  1.000 37.41649 ? 71  ASP   A OD1 1 
ATOM   586  O  OD2 . ASP   A 1 71  ? 26.08521 -15.50422 -3.73823  1.000 33.89014 ? 71  ASP   A OD2 1 
ATOM   587  N  N   . VAL   A 1 72  ? 24.03082 -19.54466 -0.62151  1.000 30.66800 ? 72  VAL   A N   1 
ATOM   588  C  CA  . VAL   A 1 72  ? 24.11382 -20.94682 -0.21490  1.000 31.31668 ? 72  VAL   A CA  1 
ATOM   589  C  C   . VAL   A 1 72  ? 22.72702 -21.56348 -0.22096  1.000 34.67988 ? 72  VAL   A C   1 
ATOM   590  O  O   . VAL   A 1 72  ? 22.53279 -22.69360 -0.69809  1.000 32.82308 ? 72  VAL   A O   1 
ATOM   591  C  CB  . VAL   A 1 72  ? 24.78511 -21.08956 1.16471   1.000 30.69899 ? 72  VAL   A CB  1 
ATOM   592  C  CG1 . VAL   A 1 72  ? 24.73581 -22.57497 1.66678   1.000 29.81111 ? 72  VAL   A CG1 1 
ATOM   593  C  CG2 . VAL   A 1 72  ? 26.24517 -20.57693 1.11986   1.000 32.48869 ? 72  VAL   A CG2 1 
ATOM   594  N  N   . GLN   A 1 73  ? 21.72789 -20.82983 0.28752   1.000 34.56216 ? 73  GLN   A N   1 
ATOM   595  C  CA  . GLN   A 1 73  ? 20.36939 -21.38330 0.28452   1.000 33.71859 ? 73  GLN   A CA  1 
ATOM   596  C  C   . GLN   A 1 73  ? 19.87081 -21.61023 -1.14212  1.000 33.00305 ? 73  GLN   A C   1 
ATOM   597  O  O   . GLN   A 1 73  ? 19.11422 -22.55011 -1.39452  1.000 35.18700 ? 73  GLN   A O   1 
ATOM   598  C  CB  . GLN   A 1 73  ? 19.41852 -20.44607 1.05659   1.000 34.94061 ? 73  GLN   A CB  1 
ATOM   599  C  CG  . GLN   A 1 73  ? 18.00326 -21.05603 1.22059   1.000 37.31751 ? 73  GLN   A CG  1 
ATOM   600  C  CD  . GLN   A 1 73  ? 17.99674 -22.37795 1.97901   1.000 38.83995 ? 73  GLN   A CD  1 
ATOM   601  O  OE1 . GLN   A 1 73  ? 18.74572 -22.55815 2.95008   1.000 41.01557 ? 73  GLN   A OE1 1 
ATOM   602  N  NE2 . GLN   A 1 73  ? 17.14408 -23.32438 1.53396   1.000 37.62082 ? 73  GLN   A NE2 1 
ATOM   603  N  N   . LEU   A 1 74  ? 20.31187 -20.77855 -2.09094  1.000 33.34246 ? 74  LEU   A N   1 
ATOM   604  C  CA  . LEU   A 1 74  ? 19.93039 -20.94156 -3.49347  1.000 33.16909 ? 74  LEU   A CA  1 
ATOM   605  C  C   . LEU   A 1 74  ? 20.39265 -22.28891 -4.05006  1.000 33.69668 ? 74  LEU   A C   1 
ATOM   606  O  O   . LEU   A 1 74  ? 19.67118 -22.91589 -4.84189  1.000 34.01267 ? 74  LEU   A O   1 
ATOM   607  C  CB  . LEU   A 1 74  ? 20.49848 -19.77561 -4.32471  1.000 33.25004 ? 74  LEU   A CB  1 
ATOM   608  C  CG  . LEU   A 1 74  ? 20.41326 -19.82002 -5.86296  1.000 34.98423 ? 74  LEU   A CG  1 
ATOM   609  C  CD1 . LEU   A 1 74  ? 18.97058 -19.95440 -6.37430  1.000 33.82664 ? 74  LEU   A CD1 1 
ATOM   610  C  CD2 . LEU   A 1 74  ? 21.12146 -18.62295 -6.53154  1.000 30.60847 ? 74  LEU   A CD2 1 
ATOM   611  N  N   . ILE   A 1 75  ? 21.57800 -22.75774 -3.63672  1.000 30.24622 ? 75  ILE   A N   1 
ATOM   612  C  CA  . ILE   A 1 75  ? 22.03780 -24.09064 -4.03089  1.000 28.43202 ? 75  ILE   A CA  1 
ATOM   613  C  C   . ILE   A 1 75  ? 21.01562 -25.14364 -3.60014  1.000 31.26227 ? 75  ILE   A C   1 
ATOM   614  O  O   . ILE   A 1 75  ? 20.62008 -26.02686 -4.38250  1.000 32.10277 ? 75  ILE   A O   1 
ATOM   615  C  CB  . ILE   A 1 75  ? 23.42149 -24.37947 -3.42499  1.000 31.18232 ? 75  ILE   A CB  1 
ATOM   616  C  CG1 . ILE   A 1 75  ? 24.44172 -23.29926 -3.81418  1.000 27.62871 ? 75  ILE   A CG1 1 
ATOM   617  C  CG2 . ILE   A 1 75  ? 23.95162 -25.76488 -3.86405  1.000 30.80415 ? 75  ILE   A CG2 1 
ATOM   618  C  CD1 . ILE   A 1 75  ? 25.79968 -23.49645 -3.13301  1.000 30.67172 ? 75  ILE   A CD1 1 
ATOM   619  N  N   . PHE   A 1 76  ? 20.58679 -25.07549 -2.33771  1.000 30.89403 ? 76  PHE   A N   1 
ATOM   620  C  CA  . PHE   A 1 76  ? 19.63969 -26.07690 -1.83932  1.000 34.68298 ? 76  PHE   A CA  1 
ATOM   621  C  C   . PHE   A 1 76  ? 18.26066 -25.92353 -2.46314  1.000 34.84032 ? 76  PHE   A C   1 
ATOM   622  O  O   . PHE   A 1 76  ? 17.55136 -26.93001 -2.65907  1.000 31.72460 ? 76  PHE   A O   1 
ATOM   623  C  CB  . PHE   A 1 76  ? 19.54249 -26.01204 -0.31463  1.000 36.77093 ? 76  PHE   A CB  1 
ATOM   624  C  CG  . PHE   A 1 76  ? 20.86626 -26.11112 0.36087   1.000 38.89719 ? 76  PHE   A CG  1 
ATOM   625  C  CD1 . PHE   A 1 76  ? 21.80300 -27.03261 -0.07830  1.000 35.03160 ? 76  PHE   A CD1 1 
ATOM   626  C  CD2 . PHE   A 1 76  ? 21.20833 -25.25051 1.41099   1.000 38.39696 ? 76  PHE   A CD2 1 
ATOM   627  C  CE1 . PHE   A 1 76  ? 23.06713 -27.12360 0.51966   1.000 42.36532 ? 76  PHE   A CE1 1 
ATOM   628  C  CE2 . PHE   A 1 76  ? 22.48542 -25.34562 2.02105   1.000 34.50242 ? 76  PHE   A CE2 1 
ATOM   629  C  CZ  . PHE   A 1 76  ? 23.39847 -26.27613 1.56869   1.000 38.29600 ? 76  PHE   A CZ  1 
ATOM   630  N  N   . ASP   A 1 77  ? 17.83130 -24.68971 -2.75384  1.000 30.65515 ? 77  ASP   A N   1 
ATOM   631  C  CA  . ASP   A 1 77  ? 16.53423 -24.50956 -3.39474  1.000 32.06235 ? 77  ASP   A CA  1 
ATOM   632  C  C   . ASP   A 1 77  ? 16.55736 -24.98053 -4.83622  1.000 33.50604 ? 77  ASP   A C   1 
ATOM   633  O  O   . ASP   A 1 77  ? 15.56363 -25.52915 -5.33024  1.000 36.92345 ? 77  ASP   A O   1 
ATOM   634  C  CB  . ASP   A 1 77  ? 16.09270 -23.03285 -3.34375  1.000 35.95115 ? 77  ASP   A CB  1 
ATOM   635  C  CG  . ASP   A 1 77  ? 15.75707 -22.55937 -1.94028  1.000 36.37580 ? 77  ASP   A CG  1 
ATOM   636  O  OD1 . ASP   A 1 77  ? 15.44650 -23.39259 -1.06156  1.000 36.53010 ? 77  ASP   A OD1 1 
ATOM   637  O  OD2 . ASP   A 1 77  ? 15.78233 -21.32362 -1.72381  1.000 44.09768 ? 77  ASP   A OD2 1 
ATOM   638  N  N   . ASN   A 1 78  ? 17.67893 -24.78796 -5.52805  1.000 31.59205 ? 78  ASN   A N   1 
ATOM   639  C  CA  . ASN   A 1 78  ? 17.82691 -25.35991 -6.86135  1.000 29.93712 ? 78  ASN   A CA  1 
ATOM   640  C  C   . ASN   A 1 78  ? 17.74891 -26.87377 -6.78979  1.000 33.01812 ? 78  ASN   A C   1 
ATOM   641  O  O   . ASN   A 1 78  ? 17.10284 -27.51749 -7.62777  1.000 32.89294 ? 78  ASN   A O   1 
ATOM   642  C  CB  . ASN   A 1 78  ? 19.15967 -24.94820 -7.48987  1.000 28.23206 ? 78  ASN   A CB  1 
ATOM   643  C  CG  . ASN   A 1 78  ? 19.17884 -23.47076 -7.86330  1.000 35.10185 ? 78  ASN   A CG  1 
ATOM   644  O  OD1 . ASN   A 1 78  ? 18.13525 -22.83931 -7.87228  1.000 30.97383 ? 78  ASN   A OD1 1 
ATOM   645  N  ND2 . ASN   A 1 78  ? 20.36931 -22.92413 -8.16857  1.000 30.40797 ? 78  ASN   A ND2 1 
ATOM   646  N  N   . CYS   A 1 79  ? 18.42686 -27.44362 -5.79507  1.000 30.38383 ? 79  CYS   A N   1 
ATOM   647  C  CA  . CYS   A 1 79  ? 18.45019 -28.88492 -5.60834  1.000 29.94191 ? 79  CYS   A CA  1 
ATOM   648  C  C   . CYS   A 1 79  ? 17.03513 -29.43903 -5.45681  1.000 32.89340 ? 79  CYS   A C   1 
ATOM   649  O  O   . CYS   A 1 79  ? 16.65141 -30.38401 -6.15763  1.000 32.74435 ? 79  CYS   A O   1 
ATOM   650  C  CB  . CYS   A 1 79  ? 19.28323 -29.21213 -4.38507  1.000 29.01085 ? 79  CYS   A CB  1 
ATOM   651  S  SG  . CYS   A 1 79  ? 19.50780 -31.01971 -4.15932  1.000 32.03247 ? 79  CYS   A SG  1 
ATOM   652  N  N   . SER   A 1 80  ? 16.25113 -28.87900 -4.52806  1.000 32.11917 ? 80  SER   A N   1 
ATOM   653  C  CA  . SER   A 1 80  ? 14.91042 -29.42531 -4.28839  1.000 33.48033 ? 80  SER   A CA  1 
ATOM   654  C  C   . SER   A 1 80  ? 13.95903 -29.13883 -5.44440  1.000 39.40694 ? 80  SER   A C   1 
ATOM   655  O  O   . SER   A 1 80  ? 13.00366 -29.90186 -5.67569  1.000 40.39178 ? 80  SER   A O   1 
ATOM   656  C  CB  . SER   A 1 80  ? 14.35356 -28.87517 -2.98636  1.000 37.45929 ? 80  SER   A CB  1 
ATOM   657  O  OG  . SER   A 1 80  ? 14.28181 -27.48148 -3.07363  1.000 40.46933 ? 80  SER   A OG  1 
ATOM   658  N  N   . LEU   A 1 81  ? 14.20332 -28.07281 -6.19711  1.000 33.92256 ? 81  LEU   A N   1 
ATOM   659  C  CA  . LEU   A 1 81  ? 13.37882 -27.80051 -7.36971  1.000 35.68882 ? 81  LEU   A CA  1 
ATOM   660  C  C   . LEU   A 1 81  ? 13.62755 -28.82389 -8.47661  1.000 39.77205 ? 81  LEU   A C   1 
ATOM   661  O  O   . LEU   A 1 81  ? 12.68920 -29.46824 -8.96645  1.000 35.01753 ? 81  LEU   A O   1 
ATOM   662  C  CB  . LEU   A 1 81  ? 13.63585 -26.36722 -7.86327  1.000 33.01962 ? 81  LEU   A CB  1 
ATOM   663  C  CG  . LEU   A 1 81  ? 13.03588 -25.97775 -9.21172  1.000 35.50520 ? 81  LEU   A CG  1 
ATOM   664  C  CD1 . LEU   A 1 81  ? 11.52200 -26.20089 -9.21687  1.000 40.73058 ? 81  LEU   A CD1 1 
ATOM   665  C  CD2 . LEU   A 1 81  ? 13.37238 -24.52037 -9.55727  1.000 36.77409 ? 81  LEU   A CD2 1 
ATOM   666  N  N   . TYR   A 1 82  ? 14.89527 -29.03675 -8.85003  1.000 33.47210 ? 82  TYR   A N   1 
ATOM   667  C  CA  . TYR   A 1 82  ? 15.18322 -29.91857 -9.97755  1.000 32.36289 ? 82  TYR   A CA  1 
ATOM   668  C  C   . TYR   A 1 82  ? 15.01057 -31.38953 -9.61929  1.000 35.89744 ? 82  TYR   A C   1 
ATOM   669  O  O   . TYR   A 1 82  ? 14.60005 -32.18274 -10.46979 1.000 34.25755 ? 82  TYR   A O   1 
ATOM   670  C  CB  . TYR   A 1 82  ? 16.60912 -29.68879 -10.51496 1.000 33.80330 ? 82  TYR   A CB  1 
ATOM   671  C  CG  . TYR   A 1 82  ? 16.89405 -30.49861 -11.77926 1.000 32.84964 ? 82  TYR   A CG  1 
ATOM   672  C  CD1 . TYR   A 1 82  ? 16.48147 -30.03038 -13.02254 1.000 36.05913 ? 82  TYR   A CD1 1 
ATOM   673  C  CD2 . TYR   A 1 82  ? 17.51663 -31.75346 -11.72166 1.000 30.74973 ? 82  TYR   A CD2 1 
ATOM   674  C  CE1 . TYR   A 1 82  ? 16.70639 -30.74659 -14.17670 1.000 34.80308 ? 82  TYR   A CE1 1 
ATOM   675  C  CE2 . TYR   A 1 82  ? 17.73915 -32.49226 -12.88617 1.000 34.66672 ? 82  TYR   A CE2 1 
ATOM   676  C  CZ  . TYR   A 1 82  ? 17.31737 -31.96801 -14.11017 1.000 35.36602 ? 82  TYR   A CZ  1 
ATOM   677  O  OH  . TYR   A 1 82  ? 17.50312 -32.66973 -15.27506 1.000 39.35662 ? 82  TYR   A OH  1 
ATOM   678  N  N   . ASN   A 1 83  ? 15.34561 -31.79121 -8.39360  1.000 32.44763 ? 83  ASN   A N   1 
ATOM   679  C  CA  . ASN   A 1 83  ? 15.47762 -33.21078 -8.08442  1.000 32.64379 ? 83  ASN   A CA  1 
ATOM   680  C  C   . ASN   A 1 83  ? 14.24747 -33.73310 -7.36292  1.000 31.93237 ? 83  ASN   A C   1 
ATOM   681  O  O   . ASN   A 1 83  ? 13.63064 -33.02403 -6.56191  1.000 33.62409 ? 83  ASN   A O   1 
ATOM   682  C  CB  . ASN   A 1 83  ? 16.72900 -33.49372 -7.24965  1.000 27.37045 ? 83  ASN   A CB  1 
ATOM   683  C  CG  . ASN   A 1 83  ? 17.98212 -33.15046 -7.99990  1.000 31.11345 ? 83  ASN   A CG  1 
ATOM   684  O  OD1 . ASN   A 1 83  ? 18.44742 -33.92188 -8.82272  1.000 32.17940 ? 83  ASN   A OD1 1 
ATOM   685  N  ND2 . ASN   A 1 83  ? 18.47957 -31.91598 -7.79461  1.000 31.42421 ? 83  ASN   A ND2 1 
ATOM   686  N  N   . THR   A 1 84  ? 13.89790 -34.98627 -7.65816  1.000 33.72095 ? 84  THR   A N   1 
ATOM   687  C  CA  . THR   A 1 84  ? 12.71419 -35.58335 -7.06155  1.000 36.30863 ? 84  THR   A CA  1 
ATOM   688  C  C   . THR   A 1 84  ? 12.96523 -35.83338 -5.58395  1.000 33.34467 ? 84  THR   A C   1 
ATOM   689  O  O   . THR   A 1 84  ? 14.04485 -36.27189 -5.19432  1.000 33.01560 ? 84  THR   A O   1 
ATOM   690  C  CB  . THR   A 1 84  ? 12.37289 -36.88746 -7.78921  1.000 40.62451 ? 84  THR   A CB  1 
ATOM   691  O  OG1 . THR   A 1 84  ? 12.09396 -36.57344 -9.15880  1.000 40.03850 ? 84  THR   A OG1 1 
ATOM   692  C  CG2 . THR   A 1 84  ? 11.15847 -37.56209 -7.15081  1.000 38.46167 ? 84  THR   A CG2 1 
ATOM   693  N  N   . SER   A 1 85  ? 11.95520 -35.55501 -4.76144  1.000 35.03701 ? 85  SER   A N   1 
ATOM   694  C  CA  . SER   A 1 85  ? 12.11152 -35.65131 -3.31065  1.000 39.69214 ? 85  SER   A CA  1 
ATOM   695  C  C   . SER   A 1 85  ? 12.71771 -36.98509 -2.82060  1.000 46.23559 ? 85  SER   A C   1 
ATOM   696  O  O   . SER   A 1 85  ? 13.51608 -36.99819 -1.87368  1.000 49.84755 ? 85  SER   A O   1 
ATOM   697  C  CB  . SER   A 1 85  ? 10.76999 -35.39640 -2.64752  1.000 42.88974 ? 85  SER   A CB  1 
ATOM   698  O  OG  . SER   A 1 85  ? 10.89967 -35.56048 -1.25473  1.000 49.65776 ? 85  SER   A OG  1 
ATOM   699  N  N   . GLY   A 1 86  ? 12.37568 -38.11211 -3.41941  1.000 38.43540 ? 86  GLY   A N   1 
ATOM   700  C  CA  . GLY   A 1 86  ? 13.15180 -39.18124 -2.73774  1.000 50.33469 ? 86  GLY   A CA  1 
ATOM   701  C  C   . GLY   A 1 86  ? 14.62643 -39.43778 -3.11096  1.000 42.03510 ? 86  GLY   A C   1 
ATOM   702  O  O   . GLY   A 1 86  ? 15.28685 -40.33165 -2.54526  1.000 35.92647 ? 86  GLY   A O   1 
ATOM   703  N  N   . SER   A 1 87  ? 15.16766 -38.69520 -4.06746  1.000 32.55732 ? 87  SER   A N   1 
ATOM   704  C  CA  . SER   A 1 87  ? 16.37019 -39.09343 -4.78219  1.000 30.90833 ? 87  SER   A CA  1 
ATOM   705  C  C   . SER   A 1 87  ? 17.64463 -38.89214 -3.94061  1.000 31.04374 ? 87  SER   A C   1 
ATOM   706  O  O   . SER   A 1 87  ? 17.65586 -38.19686 -2.92058  1.000 30.30520 ? 87  SER   A O   1 
ATOM   707  C  CB  . SER   A 1 87  ? 16.47692 -38.28856 -6.06501  1.000 32.72264 ? 87  SER   A CB  1 
ATOM   708  O  OG  . SER   A 1 87  ? 16.60850 -36.91865 -5.70367  1.000 33.72094 ? 87  SER   A OG  1 
ATOM   709  N  N   . LEU   A 1 88  ? 18.72799 -39.54851 -4.36534  1.000 26.47776 ? 88  LEU   A N   1 
ATOM   710  C  CA  . LEU   A 1 88  ? 19.98619 -39.41744 -3.63779  1.000 29.32453 ? 88  LEU   A CA  1 
ATOM   711  C  C   . LEU   A 1 88  ? 20.42521 -37.95313 -3.62409  1.000 30.79999 ? 88  LEU   A C   1 
ATOM   712  O  O   . LEU   A 1 88  ? 20.91317 -37.43822 -2.60753  1.000 30.20354 ? 88  LEU   A O   1 
ATOM   713  C  CB  . LEU   A 1 88  ? 21.07828 -40.26142 -4.27942  1.000 28.08253 ? 88  LEU   A CB  1 
ATOM   714  C  CG  . LEU   A 1 88  ? 20.88393 -41.80014 -4.26194  1.000 34.56677 ? 88  LEU   A CG  1 
ATOM   715  C  CD1 . LEU   A 1 88  ? 22.19879 -42.46185 -4.64246  1.000 29.92334 ? 88  LEU   A CD1 1 
ATOM   716  C  CD2 . LEU   A 1 88  ? 20.38576 -42.24648 -2.89857  1.000 31.35194 ? 88  LEU   A CD2 1 
ATOM   717  N  N   . VAL   A 1 89  ? 20.22020 -37.25926 -4.73671  1.000 28.97401 ? 89  VAL   A N   1 
ATOM   718  C  CA  . VAL   A 1 89  ? 20.68110 -35.86541 -4.77591  1.000 32.18289 ? 89  VAL   A CA  1 
ATOM   719  C  C   . VAL   A 1 89  ? 19.81281 -35.00946 -3.85420  1.000 31.73579 ? 89  VAL   A C   1 
ATOM   720  O  O   . VAL   A 1 89  ? 20.32803 -34.20920 -3.06176  1.000 31.52484 ? 89  VAL   A O   1 
ATOM   721  C  CB  . VAL   A 1 89  ? 20.70359 -35.35033 -6.22686  1.000 28.93979 ? 89  VAL   A CB  1 
ATOM   722  C  CG1 . VAL   A 1 89  ? 20.94817 -33.81943 -6.28774  1.000 29.10347 ? 89  VAL   A CG1 1 
ATOM   723  C  CG2 . VAL   A 1 89  ? 21.78353 -36.08872 -7.00619  1.000 27.04711 ? 89  VAL   A CG2 1 
ATOM   724  N  N   . ALA   A 1 90  ? 18.48763 -35.23941 -3.86187  1.000 29.76992 ? 90  ALA   A N   1 
ATOM   725  C  CA  . ALA   A 1 90  ? 17.60749 -34.41803 -3.02831  1.000 32.08508 ? 90  ALA   A CA  1 
ATOM   726  C  C   . ALA   A 1 90  ? 17.85387 -34.67787 -1.54651  1.000 34.13210 ? 90  ALA   A C   1 
ATOM   727  O  O   . ALA   A 1 90  ? 17.83952 -33.74799 -0.73423  1.000 33.82254 ? 90  ALA   A O   1 
ATOM   728  C  CB  . ALA   A 1 90  ? 16.12716 -34.65663 -3.38249  1.000 31.64852 ? 90  ALA   A CB  1 
ATOM   729  N  N   . ILE   A 1 91  ? 18.09226 -35.93217 -1.17917  1.000 32.85146 ? 91  ILE   A N   1 
ATOM   730  C  CA  . ILE   A 1 91  ? 18.44641 -36.26418 0.19671   1.000 30.61845 ? 91  ILE   A CA  1 
ATOM   731  C  C   . ILE   A 1 91  ? 19.69008 -35.50039 0.62019   1.000 33.33520 ? 91  ILE   A C   1 
ATOM   732  O  O   . ILE   A 1 91  ? 19.74052 -34.87750 1.68992   1.000 35.36923 ? 91  ILE   A O   1 
ATOM   733  C  CB  . ILE   A 1 91  ? 18.66382 -37.77902 0.32811   1.000 26.62649 ? 91  ILE   A CB  1 
ATOM   734  C  CG1 . ILE   A 1 91  ? 17.31106 -38.53113 0.17953   1.000 32.89427 ? 91  ILE   A CG1 1 
ATOM   735  C  CG2 . ILE   A 1 91  ? 19.33931 -38.09047 1.64852   1.000 33.24069 ? 91  ILE   A CG2 1 
ATOM   736  C  CD1 . ILE   A 1 91  ? 17.53674 -40.07521 0.07890   1.000 32.53408 ? 91  ILE   A CD1 1 
ATOM   737  N  N   . THR   A 1 92  ? 20.71018 -35.54511 -0.21622  1.000 30.70796 ? 92  THR   A N   1 
ATOM   738  C  CA  . THR   A 1 92  ? 21.96985 -34.88274 0.12131   1.000 30.72926 ? 92  THR   A CA  1 
ATOM   739  C  C   . THR   A 1 92  ? 21.77513 -33.39652 0.36256   1.000 31.88058 ? 92  THR   A C   1 
ATOM   740  O  O   . THR   A 1 92  ? 22.32626 -32.85602 1.32366   1.000 37.82730 ? 92  THR   A O   1 
ATOM   741  C  CB  . THR   A 1 92  ? 22.97839 -35.13488 -0.97486  1.000 29.70909 ? 92  THR   A CB  1 
ATOM   742  O  OG1 . THR   A 1 92  ? 23.19446 -36.54972 -1.06031  1.000 31.45603 ? 92  THR   A OG1 1 
ATOM   743  C  CG2 . THR   A 1 92  ? 24.30979 -34.44690 -0.62274  1.000 32.82566 ? 92  THR   A CG2 1 
ATOM   744  N  N   . GLY   A 1 93  ? 20.96862 -32.73382 -0.47182  1.000 30.73681 ? 93  GLY   A N   1 
ATOM   745  C  CA  . GLY   A 1 93  ? 20.70876 -31.31118 -0.27352  1.000 29.41046 ? 93  GLY   A CA  1 
ATOM   746  C  C   . GLY   A 1 93  ? 20.01875 -31.02480 1.04245   1.000 36.23902 ? 93  GLY   A C   1 
ATOM   747  O  O   . GLY   A 1 93  ? 20.38446 -30.08666 1.75611   1.000 34.09871 ? 93  GLY   A O   1 
ATOM   748  N  N   . LYS   A 1 94  ? 18.98437 -31.80950 1.37166   1.000 31.63964 ? 94  LYS   A N   1 
ATOM   749  C  CA  . LYS   A 1 94  ? 18.31251 -31.65892 2.65939   1.000 32.78033 ? 94  LYS   A CA  1 
ATOM   750  C  C   . LYS   A 1 94  ? 19.27022 -31.87025 3.82094   1.000 34.22185 ? 94  LYS   A C   1 
ATOM   751  O  O   . LYS   A 1 94  ? 19.16965 -31.18503 4.84236   1.000 35.86784 ? 94  LYS   A O   1 
ATOM   752  C  CB  . LYS   A 1 94  ? 17.15708 -32.66800 2.76443   1.000 36.19576 ? 94  LYS   A CB  1 
ATOM   753  C  CG  . LYS   A 1 94  ? 15.94571 -32.30614 1.93246   1.000 37.65687 ? 94  LYS   A CG  1 
ATOM   754  C  CD  . LYS   A 1 94  ? 15.47129 -30.88646 2.21237   1.000 38.74994 ? 94  LYS   A CD  1 
ATOM   755  C  CE  . LYS   A 1 94  ? 13.98673 -30.70797 1.84140   1.000 49.15435 ? 94  LYS   A CE  1 
ATOM   756  N  NZ  . LYS   A 1 94  ? 13.77198 -29.77486 0.69018   1.000 49.76207 ? 94  LYS   A NZ  1 
ATOM   757  N  N   . ASN   A 1 95  ? 20.15830 -32.86247 3.71552   1.000 31.29143 ? 95  ASN   A N   1 
ATOM   758  C  CA  . ASN   A 1 95  ? 21.13683 -33.10331 4.77748   1.000 36.62756 ? 95  ASN   A CA  1 
ATOM   759  C  C   . ASN   A 1 95  ? 22.04487 -31.89616 4.97092   1.000 36.77580 ? 95  ASN   A C   1 
ATOM   760  O  O   . ASN   A 1 95  ? 22.34438 -31.48748 6.10096   1.000 35.01771 ? 95  ASN   A O   1 
ATOM   761  C  CB  . ASN   A 1 95  ? 22.00770 -34.31819 4.45398   1.000 33.02842 ? 95  ASN   A CB  1 
ATOM   762  C  CG  . ASN   A 1 95  ? 21.24729 -35.63763 4.61522   1.000 37.67261 ? 95  ASN   A CG  1 
ATOM   763  O  OD1 . ASN   A 1 95  ? 20.23426 -35.68186 5.29944   1.000 38.44515 ? 95  ASN   A OD1 1 
ATOM   764  N  ND2 . ASN   A 1 95  ? 21.76243 -36.71213 4.01410   1.000 36.55183 ? 95  ASN   A ND2 1 
ATOM   765  N  N   . ILE   A 1 96  ? 22.55873 -31.37331 3.87296   1.000 38.12336 ? 96  ILE   A N   1 
ATOM   766  C  CA  . ILE   A 1 96  ? 23.55839 -30.31891 4.00277   1.000 36.29303 ? 96  ILE   A CA  1 
ATOM   767  C  C   . ILE   A 1 96  ? 22.88854 -29.00299 4.35783   1.000 36.19404 ? 96  ILE   A C   1 
ATOM   768  O  O   . ILE   A 1 96  ? 23.49102 -28.13482 5.02201   1.000 35.74389 ? 96  ILE   A O   1 
ATOM   769  C  CB  . ILE   A 1 96  ? 24.39390 -30.23143 2.71991   1.000 35.46511 ? 96  ILE   A CB  1 
ATOM   770  C  CG1 . ILE   A 1 96  ? 25.13468 -31.54542 2.53447   1.000 36.07695 ? 96  ILE   A CG1 1 
ATOM   771  C  CG2 . ILE   A 1 96  ? 25.40339 -29.07595 2.81998   1.000 32.82670 ? 96  ILE   A CG2 1 
ATOM   772  C  CD1 . ILE   A 1 96  ? 26.14830 -31.56382 1.45342   1.000 34.04882 ? 96  ILE   A CD1 1 
ATOM   773  N  N   . GLU   A 1 97  ? 21.66003 -28.80828 3.90892   1.000 32.79884 ? 97  GLU   A N   1 
ATOM   774  C  CA  . GLU   A 1 97  ? 20.93003 -27.61102 4.30094   1.000 32.78778 ? 97  GLU   A CA  1 
ATOM   775  C  C   . GLU   A 1 97  ? 20.73578 -27.58163 5.81252   1.000 38.64819 ? 97  GLU   A C   1 
ATOM   776  O  O   . GLU   A 1 97  ? 20.95935 -26.55406 6.46993   1.000 35.79192 ? 97  GLU   A O   1 
ATOM   777  C  CB  . GLU   A 1 97  ? 19.59992 -27.58363 3.56522   1.000 35.55605 ? 97  GLU   A CB  1 
ATOM   778  C  CG  . GLU   A 1 97  ? 18.62241 -26.52484 4.00696   1.000 37.37067 ? 97  GLU   A CG  1 
ATOM   779  C  CD  . GLU   A 1 97  ? 17.30862 -26.71401 3.29509   1.000 39.30576 ? 97  GLU   A CD  1 
ATOM   780  O  OE1 . GLU   A 1 97  ? 16.66872 -27.79902 3.45197   1.000 43.81662 ? 97  GLU   A OE1 1 
ATOM   781  O  OE2 . GLU   A 1 97  ? 16.95019 -25.80486 2.52747   1.000 39.41139 ? 97  GLU   A OE2 1 
ATOM   782  N  N   . ALA   A 1 98  ? 20.31725 -28.72029 6.37659   1.000 39.11185 ? 98  ALA   A N   1 
ATOM   783  C  CA  . ALA   A 1 98  ? 20.15665 -28.86105 7.82137   1.000 37.50374 ? 98  ALA   A CA  1 
ATOM   784  C  C   . ALA   A 1 98  ? 21.45893 -28.55446 8.54150   1.000 36.64938 ? 98  ALA   A C   1 
ATOM   785  O  O   . ALA   A 1 98  ? 21.47529 -27.81558 9.53500   1.000 40.01667 ? 98  ALA   A O   1 
ATOM   786  C  CB  . ALA   A 1 98  ? 19.69139 -30.28730 8.16374   1.000 36.35041 ? 98  ALA   A CB  1 
ATOM   787  N  N   . TYR   A 1 99  ? 22.56023 -29.14200 8.06415   1.000 35.07769 ? 99  TYR   A N   1 
ATOM   788  C  CA  . TYR   A 1 99  ? 23.87566 -28.88159 8.64598   1.000 35.86542 ? 99  TYR   A CA  1 
ATOM   789  C  C   . TYR   A 1 99  ? 24.23044 -27.40018 8.56556   1.000 40.52460 ? 99  TYR   A C   1 
ATOM   790  O  O   . TYR   A 1 99  ? 24.63862 -26.79649 9.56277   1.000 41.34153 ? 99  TYR   A O   1 
ATOM   791  C  CB  . TYR   A 1 99  ? 24.92628 -29.72012 7.92328   1.000 34.33857 ? 99  TYR   A CB  1 
ATOM   792  C  CG  . TYR   A 1 99  ? 26.34517 -29.52939 8.39047   1.000 38.47301 ? 99  TYR   A CG  1 
ATOM   793  C  CD1 . TYR   A 1 99  ? 26.79304 -30.13131 9.55110   1.000 42.70380 ? 99  TYR   A CD1 1 
ATOM   794  C  CD2 . TYR   A 1 99  ? 27.23679 -28.77524 7.65048   1.000 39.22643 ? 99  TYR   A CD2 1 
ATOM   795  C  CE1 . TYR   A 1 99  ? 28.12222 -29.98921 9.97912   1.000 44.70924 ? 99  TYR   A CE1 1 
ATOM   796  C  CE2 . TYR   A 1 99  ? 28.57530 -28.60014 8.07436   1.000 42.37833 ? 99  TYR   A CE2 1 
ATOM   797  C  CZ  . TYR   A 1 99  ? 29.00463 -29.21489 9.24033   1.000 47.82025 ? 99  TYR   A CZ  1 
ATOM   798  O  OH  . TYR   A 1 99  ? 30.31269 -29.08632 9.68624   1.000 49.05407 ? 99  TYR   A OH  1 
ATOM   799  N  N   . PHE   A 1 100 ? 24.07707 -26.80972 7.37733   1.000 40.19224 ? 100 PHE   A N   1 
ATOM   800  C  CA  . PHE   A 1 100 ? 24.39428 -25.39232 7.15670   1.000 35.31036 ? 100 PHE   A CA  1 
ATOM   801  C  C   . PHE   A 1 100 ? 23.63501 -24.48872 8.12456   1.000 41.78122 ? 100 PHE   A C   1 
ATOM   802  O  O   . PHE   A 1 100 ? 24.22200 -23.57275 8.72638   1.000 42.32550 ? 100 PHE   A O   1 
ATOM   803  C  CB  . PHE   A 1 100 ? 24.08162 -25.02252 5.70171   1.000 32.99804 ? 100 PHE   A CB  1 
ATOM   804  C  CG  . PHE   A 1 100 ? 24.19003 -23.53086 5.39142   1.000 35.31248 ? 100 PHE   A CG  1 
ATOM   805  C  CD1 . PHE   A 1 100 ? 25.41816 -22.88488 5.43674   1.000 38.47356 ? 100 PHE   A CD1 1 
ATOM   806  C  CD2 . PHE   A 1 100 ? 23.07891 -22.81809 4.99215   1.000 34.76438 ? 100 PHE   A CD2 1 
ATOM   807  C  CE1 . PHE   A 1 100 ? 25.51462 -21.50022 5.13576   1.000 35.63157 ? 100 PHE   A CE1 1 
ATOM   808  C  CE2 . PHE   A 1 100 ? 23.13658 -21.45907 4.68804   1.000 36.60232 ? 100 PHE   A CE2 1 
ATOM   809  C  CZ  . PHE   A 1 100 ? 24.39478 -20.79189 4.75200   1.000 34.53235 ? 100 PHE   A CZ  1 
ATOM   810  N  N   . ASN   A 1 101 ? 22.32134 -24.72980 8.29146   1.000 37.20547 ? 101 ASN   A N   1 
ATOM   811  C  CA  . ASN   A 1 101 ? 21.53189 -23.86894 9.16562   1.000 39.97102 ? 101 ASN   A CA  1 
ATOM   812  C  C   . ASN   A 1 101 ? 21.93624 -24.01009 10.62268  1.000 40.86561 ? 101 ASN   A C   1 
ATOM   813  O  O   . ASN   A 1 101 ? 21.92885 -23.01823 11.36517  1.000 46.19995 ? 101 ASN   A O   1 
ATOM   814  C  CB  . ASN   A 1 101 ? 20.04634 -24.14197 8.99397   1.000 41.45842 ? 101 ASN   A CB  1 
ATOM   815  C  CG  . ASN   A 1 101 ? 19.51884 -23.58694 7.70424   1.000 39.63846 ? 101 ASN   A CG  1 
ATOM   816  O  OD1 . ASN   A 1 101 ? 19.99167 -22.54662 7.20707   1.000 44.56106 ? 101 ASN   A OD1 1 
ATOM   817  N  ND2 . ASN   A 1 101 ? 18.56190 -24.27686 7.13457   1.000 37.26116 ? 101 ASN   A ND2 1 
ATOM   818  N  N   . ASN   A 1 102 ? 22.32290 -25.20553 11.04161  1.000 39.41031 ? 102 ASN   A N   1 
ATOM   819  C  CA  . ASN   A 1 102 ? 22.86824 -25.35923 12.38393  1.000 44.92201 ? 102 ASN   A CA  1 
ATOM   820  C  C   . ASN   A 1 102 ? 24.20776 -24.63527 12.53601  1.000 46.11951 ? 102 ASN   A C   1 
ATOM   821  O  O   . ASN   A 1 102 ? 24.48072 -24.04518 13.59087  1.000 45.91206 ? 102 ASN   A O   1 
ATOM   822  C  CB  . ASN   A 1 102 ? 23.03758 -26.83520 12.72572  1.000 45.42127 ? 102 ASN   A CB  1 
ATOM   823  C  CG  . ASN   A 1 102 ? 23.34847 -27.03879 14.18317  1.000 47.77141 ? 102 ASN   A CG  1 
ATOM   824  O  OD1 . ASN   A 1 102 ? 22.49923 -26.78139 15.04019  1.000 55.45645 ? 102 ASN   A OD1 1 
ATOM   825  N  ND2 . ASN   A 1 102 ? 24.57284 -27.47053 14.48365  1.000 48.32816 ? 102 ASN   A ND2 1 
ATOM   826  N  N   . GLN   A 1 103 ? 25.05657 -24.67114 11.50355  1.000 42.48475 ? 103 GLN   A N   1 
ATOM   827  C  CA  . GLN   A 1 103 ? 26.35050 -23.99020 11.60475  1.000 44.22735 ? 103 GLN   A CA  1 
ATOM   828  C  C   . GLN   A 1 103 ? 26.17673 -22.48133 11.77133  1.000 44.59442 ? 103 GLN   A C   1 
ATOM   829  O  O   . GLN   A 1 103 ? 26.95925 -21.84335 12.48938  1.000 45.34174 ? 103 GLN   A O   1 
ATOM   830  C  CB  . GLN   A 1 103 ? 27.22796 -24.28652 10.38700  1.000 37.79859 ? 103 GLN   A CB  1 
ATOM   831  C  CG  . GLN   A 1 103 ? 27.77220 -25.69307 10.33327  1.000 42.77570 ? 103 GLN   A CG  1 
ATOM   832  C  CD  . GLN   A 1 103 ? 28.48060 -26.09326 11.61809  1.000 48.61548 ? 103 GLN   A CD  1 
ATOM   833  O  OE1 . GLN   A 1 103 ? 28.09258 -27.06168 12.28427  1.000 48.27688 ? 103 GLN   A OE1 1 
ATOM   834  N  NE2 . GLN   A 1 103 ? 29.51802 -25.34583 11.97977  1.000 46.73569 ? 103 GLN   A NE2 1 
ATOM   835  N  N   . LEU   A 1 104 ? 25.15951 -21.89147 11.11827  1.000 42.19017 ? 104 LEU   A N   1 
ATOM   836  C  CA  . LEU   A 1 104 ? 24.93094 -20.45586 11.25371  1.000 44.55525 ? 104 LEU   A CA  1 
ATOM   837  C  C   . LEU   A 1 104 ? 24.66410 -20.05583 12.70016  1.000 49.43484 ? 104 LEU   A C   1 
ATOM   838  O  O   . LEU   A 1 104 ? 25.00132 -18.93426 13.11020  1.000 49.79205 ? 104 LEU   A O   1 
ATOM   839  C  CB  . LEU   A 1 104 ? 23.76021 -19.99963 10.37532  1.000 44.62091 ? 104 LEU   A CB  1 
ATOM   840  C  CG  . LEU   A 1 104 ? 23.99109 -20.11724 8.86811   1.000 43.90682 ? 104 LEU   A CG  1 
ATOM   841  C  CD1 . LEU   A 1 104 ? 22.68665 -19.82349 8.12462   1.000 33.37169 ? 104 LEU   A CD1 1 
ATOM   842  C  CD2 . LEU   A 1 104 ? 25.14774 -19.20011 8.38956   1.000 40.55374 ? 104 LEU   A CD2 1 
ATOM   843  N  N   . ILE   A 1 105 ? 24.04657 -20.94499 13.47336  1.000 46.40722 ? 105 ILE   A N   1 
ATOM   844  C  CA  . ILE   A 1 105 ? 23.87061 -20.73751 14.90610  1.000 47.33562 ? 105 ILE   A CA  1 
ATOM   845  C  C   . ILE   A 1 105 ? 25.18030 -20.97772 15.65393  1.000 48.31031 ? 105 ILE   A C   1 
ATOM   846  O  O   . ILE   A 1 105 ? 25.66225 -20.10890 16.39387  1.000 53.63065 ? 105 ILE   A O   1 
ATOM   847  C  CB  . ILE   A 1 105 ? 22.74584 -21.65812 15.42867  1.000 48.38223 ? 105 ILE   A CB  1 
ATOM   848  C  CG1 . ILE   A 1 105 ? 21.44582 -21.41078 14.67157  1.000 42.42742 ? 105 ILE   A CG1 1 
ATOM   849  C  CG2 . ILE   A 1 105 ? 22.52513 -21.44708 16.90522  1.000 50.81510 ? 105 ILE   A CG2 1 
ATOM   850  C  CD1 . ILE   A 1 105 ? 20.38140 -22.46161 14.95578  1.000 45.62463 ? 105 ILE   A CD1 1 
ATOM   851  N  N   . VAL   A 1 106 ? 25.80042 -22.13743 15.43277  1.000 44.16719 ? 106 VAL   A N   1 
ATOM   852  C  CA  . VAL   A 1 106 ? 26.89068 -22.58999 16.28382  1.000 46.49682 ? 106 VAL   A CA  1 
ATOM   853  C  C   . VAL   A 1 106 ? 28.10895 -21.67345 16.15602  1.000 50.64216 ? 106 VAL   A C   1 
ATOM   854  O  O   . VAL   A 1 106 ? 28.84005 -21.45359 17.12987  1.000 52.01343 ? 106 VAL   A O   1 
ATOM   855  C  CB  . VAL   A 1 106 ? 27.23601 -24.05727 15.94325  1.000 46.99696 ? 106 VAL   A CB  1 
ATOM   856  C  CG1 . VAL   A 1 106 ? 28.44628 -24.50998 16.69771  1.000 44.85503 ? 106 VAL   A CG1 1 
ATOM   857  C  CG2 . VAL   A 1 106 ? 26.04951 -24.96071 16.24823  1.000 54.77964 ? 106 VAL   A CG2 1 
ATOM   858  N  N   . THR   A 1 107 ? 28.35262 -21.13176 14.95907  1.000 49.97065 ? 107 THR   A N   1 
ATOM   859  C  CA  . THR   A 1 107 ? 29.52541 -20.30058 14.70572  1.000 47.61661 ? 107 THR   A CA  1 
ATOM   860  C  C   . THR   A 1 107 ? 29.32747 -18.84859 15.11108  1.000 50.95394 ? 107 THR   A C   1 
ATOM   861  O  O   . THR   A 1 107 ? 30.26907 -18.05249 14.98035  1.000 50.93368 ? 107 THR   A O   1 
ATOM   862  C  CB  . THR   A 1 107 ? 29.87945 -20.29602 13.22358  1.000 43.90368 ? 107 THR   A CB  1 
ATOM   863  O  OG1 . THR   A 1 107 ? 28.72418 -19.87288 12.48972  1.000 42.54811 ? 107 THR   A OG1 1 
ATOM   864  C  CG2 . THR   A 1 107 ? 30.33879 -21.64577 12.74892  1.000 42.86005 ? 107 THR   A CG2 1 
ATOM   865  N  N   . GLY   A 1 108 ? 28.13033 -18.47805 15.54331  1.000 48.10659 ? 108 GLY   A N   1 
ATOM   866  C  CA  . GLY   A 1 108 ? 27.77655 -17.09651 15.76030  1.000 53.50697 ? 108 GLY   A CA  1 
ATOM   867  C  C   . GLY   A 1 108 ? 27.49172 -16.30638 14.50536  1.000 50.04859 ? 108 GLY   A C   1 
ATOM   868  O  O   . GLY   A 1 108 ? 27.22069 -15.09912 14.60676  1.000 49.39988 ? 108 GLY   A O   1 
ATOM   869  N  N   . TYR   A 1 109 ? 27.54179 -16.93998 13.32627  1.000 45.84140 ? 109 TYR   A N   1 
ATOM   870  C  CA  . TYR   A 1 109 ? 27.36847 -16.17711 12.09426  1.000 47.05217 ? 109 TYR   A CA  1 
ATOM   871  C  C   . TYR   A 1 109 ? 26.08500 -15.36738 12.11321  1.000 46.32560 ? 109 TYR   A C   1 
ATOM   872  O  O   . TYR   A 1 109 ? 26.08637 -14.18950 11.73209  1.000 44.09440 ? 109 TYR   A O   1 
ATOM   873  C  CB  . TYR   A 1 109 ? 27.39799 -17.09328 10.87426  1.000 43.83024 ? 109 TYR   A CB  1 
ATOM   874  C  CG  . TYR   A 1 109 ? 27.46686 -16.33158 9.56815   1.000 40.65302 ? 109 TYR   A CG  1 
ATOM   875  C  CD1 . TYR   A 1 109 ? 26.31736 -15.93530 8.90599   1.000 36.90713 ? 109 TYR   A CD1 1 
ATOM   876  C  CD2 . TYR   A 1 109 ? 28.71125 -15.97967 9.00820   1.000 39.20104 ? 109 TYR   A CD2 1 
ATOM   877  C  CE1 . TYR   A 1 109 ? 26.39174 -15.22142 7.70334   1.000 39.05320 ? 109 TYR   A CE1 1 
ATOM   878  C  CE2 . TYR   A 1 109 ? 28.79172 -15.27372 7.80877   1.000 35.65614 ? 109 TYR   A CE2 1 
ATOM   879  C  CZ  . TYR   A 1 109 ? 27.64157 -14.89942 7.16416   1.000 38.01032 ? 109 TYR   A CZ  1 
ATOM   880  O  OH  . TYR   A 1 109 ? 27.73085 -14.20413 5.97510   1.000 36.50818 ? 109 TYR   A OH  1 
ATOM   881  N  N   . ASN   A 1 110 ? 24.97454 -15.96273 12.57820  1.000 45.20826 ? 110 ASN   A N   1 
ATOM   882  C  CA  . ASN   A 1 110 ? 23.69949 -15.23054 12.58862  1.000 47.76629 ? 110 ASN   A CA  1 
ATOM   883  C  C   . ASN   A 1 110 ? 23.77367 -13.92278 13.37656  1.000 48.13868 ? 110 ASN   A C   1 
ATOM   884  O  O   . ASN   A 1 110 ? 22.96058 -13.02304 13.14691  1.000 46.30137 ? 110 ASN   A O   1 
ATOM   885  C  CB  . ASN   A 1 110 ? 22.56419 -16.09561 13.16195  1.000 45.17728 ? 110 ASN   A CB  1 
ATOM   886  C  CG  . ASN   A 1 110 ? 22.01399 -17.10348 12.14768  1.000 51.60105 ? 110 ASN   A CG  1 
ATOM   887  O  OD1 . ASN   A 1 110 ? 22.21622 -16.95053 10.94533  1.000 51.32875 ? 110 ASN   A OD1 1 
ATOM   888  N  ND2 . ASN   A 1 110 ? 21.29657 -18.12602 12.63268  1.000 44.79343 ? 110 ASN   A ND2 1 
ATOM   889  N  N   . ASN   A 1 111 ? 24.71773 -13.80959 14.30718  1.000 50.81286 ? 111 ASN   A N   1 
ATOM   890  C  CA  . ASN   A 1 111 ? 24.86249 -12.57935 15.07245  1.000 53.80509 ? 111 ASN   A CA  1 
ATOM   891  C  C   . ASN   A 1 111 ? 25.41304 -11.45067 14.20895  1.000 53.20780 ? 111 ASN   A C   1 
ATOM   892  O  O   . ASN   A 1 111 ? 25.01753 -10.29059 14.37667  1.000 50.00278 ? 111 ASN   A O   1 
ATOM   893  C  CB  . ASN   A 1 111 ? 25.74652 -12.84217 16.29042  1.000 54.12001 ? 111 ASN   A CB  1 
ATOM   894  C  CG  . ASN   A 1 111 ? 25.07646 -13.77824 17.27780  1.000 56.40141 ? 111 ASN   A CG  1 
ATOM   895  O  OD1 . ASN   A 1 111 ? 23.84487 -13.88303 17.29903  1.000 60.84353 ? 111 ASN   A OD1 1 
ATOM   896  N  ND2 . ASN   A 1 111 ? 25.86384 -14.44832 18.10159  1.000 55.54819 ? 111 ASN   A ND2 1 
ATOM   897  N  N   . PHE   A 1 112 ? 26.31864 -11.76431 13.27300  1.000 48.09857 ? 112 PHE   A N   1 
ATOM   898  C  CA  . PHE   A 1 112 ? 26.70005 -10.75910 12.28099  1.000 49.91434 ? 112 PHE   A CA  1 
ATOM   899  C  C   . PHE   A 1 112 ? 25.49649 -10.32399 11.44707  1.000 52.46541 ? 112 PHE   A C   1 
ATOM   900  O  O   . PHE   A 1 112 ? 25.38401 -9.15151  11.06526  1.000 48.08418 ? 112 PHE   A O   1 
ATOM   901  C  CB  . PHE   A 1 112 ? 27.81619 -11.28822 11.38121  1.000 46.91251 ? 112 PHE   A CB  1 
ATOM   902  C  CG  . PHE   A 1 112 ? 29.12622 -11.46788 12.08941  1.000 51.25119 ? 112 PHE   A CG  1 
ATOM   903  C  CD1 . PHE   A 1 112 ? 30.04935 -10.42826 12.15772  1.000 49.11238 ? 112 PHE   A CD1 1 
ATOM   904  C  CD2 . PHE   A 1 112 ? 29.43533 -12.67445 12.69240  1.000 49.06408 ? 112 PHE   A CD2 1 
ATOM   905  C  CE1 . PHE   A 1 112 ? 31.25639 -10.60608 12.80582  1.000 46.56155 ? 112 PHE   A CE1 1 
ATOM   906  C  CE2 . PHE   A 1 112 ? 30.63064 -12.86778 13.34246  1.000 51.27083 ? 112 PHE   A CE2 1 
ATOM   907  C  CZ  . PHE   A 1 112 ? 31.55443 -11.81487 13.40262  1.000 55.94829 ? 112 PHE   A CZ  1 
ATOM   908  N  N   . VAL   A 1 113 ? 24.58170 -11.25509 11.15000  1.000 45.42845 ? 113 VAL   A N   1 
ATOM   909  C  CA  . VAL   A 1 113 ? 23.39021 -10.87617 10.41115  1.000 46.72497 ? 113 VAL   A CA  1 
ATOM   910  C  C   . VAL   A 1 113 ? 22.53759 -9.94246  11.25237  1.000 52.66558 ? 113 VAL   A C   1 
ATOM   911  O  O   . VAL   A 1 113 ? 21.96504 -8.97457  10.74279  1.000 51.30194 ? 113 VAL   A O   1 
ATOM   912  C  CB  . VAL   A 1 113 ? 22.59646 -12.12711 9.97812   1.000 46.83684 ? 113 VAL   A CB  1 
ATOM   913  C  CG1 . VAL   A 1 113 ? 21.20280 -11.73719 9.48670   1.000 42.19030 ? 113 VAL   A CG1 1 
ATOM   914  C  CG2 . VAL   A 1 113 ? 23.34459 -12.87039 8.89603   1.000 46.23796 ? 113 VAL   A CG2 1 
ATOM   915  N  N   . THR   A 1 114 ? 22.44550 -10.21128 12.55568  1.000 52.79125 ? 114 THR   A N   1 
ATOM   916  C  CA  . THR   A 1 114 ? 21.58853 -9.39234  13.40413  1.000 56.24192 ? 114 THR   A CA  1 
ATOM   917  C  C   . THR   A 1 114 ? 22.15226 -7.98823  13.53045  1.000 56.08821 ? 114 THR   A C   1 
ATOM   918  O  O   . THR   A 1 114 ? 21.40706 -7.00477  13.44140  1.000 64.40276 ? 114 THR   A O   1 
ATOM   919  C  CB  . THR   A 1 114 ? 21.42973 -10.03537 14.78307  1.000 57.70414 ? 114 THR   A CB  1 
ATOM   920  O  OG1 . THR   A 1 114 ? 21.10228 -11.43072 14.63451  1.000 54.67281 ? 114 THR   A OG1 1 
ATOM   921  C  CG2 . THR   A 1 114 ? 20.31456 -9.34350  15.55445  1.000 52.46839 ? 114 THR   A CG2 1 
ATOM   922  N  N   . LYS   A 1 115 ? 23.47106 -7.89086  13.71361  1.000 60.85810 ? 115 LYS   A N   1 
ATOM   923  C  CA  . LYS   A 1 115 ? 24.16141 -6.60360  13.78312  1.000 57.94360 ? 115 LYS   A CA  1 
ATOM   924  C  C   . LYS   A 1 115 ? 24.03148 -5.82986  12.47761  1.000 63.19565 ? 115 LYS   A C   1 
ATOM   925  O  O   . LYS   A 1 115 ? 23.83981 -4.60934  12.49030  1.000 68.40592 ? 115 LYS   A O   1 
ATOM   926  C  CB  . LYS   A 1 115 ? 25.63320 -6.82244  14.12396  1.000 52.11774 ? 115 LYS   A CB  1 
ATOM   927  C  CG  . LYS   A 1 115 ? 25.90643 -7.23388  15.55867  1.000 52.16665 ? 115 LYS   A CG  1 
ATOM   928  N  N   . ALA   A 1 116 ? 24.12254 -6.51925  11.33887  1.000 54.53439 ? 116 ALA   A N   1 
ATOM   929  C  CA  . ALA   A 1 116 ? 24.05889 -5.83020  10.05606  1.000 56.43958 ? 116 ALA   A CA  1 
ATOM   930  C  C   . ALA   A 1 116 ? 22.64112 -5.37623  9.72237   1.000 66.28882 ? 116 ALA   A C   1 
ATOM   931  O  O   . ALA   A 1 116 ? 22.46242 -4.36003  9.03430   1.000 61.77541 ? 116 ALA   A O   1 
ATOM   932  C  CB  . ALA   A 1 116 ? 24.61698 -6.72607  8.95033   1.000 49.72027 ? 116 ALA   A CB  1 
ATOM   933  N  N   . ASN   A 1 117 ? 21.62606 -6.10841  10.19302  1.000 61.34142 ? 117 ASN   A N   1 
ATOM   934  C  CA  . ASN   A 1 117 ? 20.24732 -5.72038  9.91605   1.000 66.64552 ? 117 ASN   A CA  1 
ATOM   935  C  C   . ASN   A 1 117 ? 19.89721 -4.39316  10.57613  1.000 72.96676 ? 117 ASN   A C   1 
ATOM   936  O  O   . ASN   A 1 117 ? 19.13577 -3.59833  10.00893  1.000 73.37174 ? 117 ASN   A O   1 
ATOM   937  C  CB  . ASN   A 1 117 ? 19.29203 -6.82232  10.37649  1.000 68.08824 ? 117 ASN   A CB  1 
ATOM   938  C  CG  . ASN   A 1 117 ? 19.37461 -8.06595  9.50408   1.000 68.20793 ? 117 ASN   A CG  1 
ATOM   939  O  OD1 . ASN   A 1 117 ? 19.74563 -7.98285  8.33079   1.000 68.34436 ? 117 ASN   A OD1 1 
ATOM   940  N  ND2 . ASN   A 1 117 ? 19.02099 -9.22694  10.06883  1.000 65.36227 ? 117 ASN   A ND2 1 
ATOM   941  N  N   . THR   A 1 118 ? 20.45713 -4.12879  11.75791  1.000 71.13275 ? 118 THR   A N   1 
ATOM   942  C  CA  . THR   A 1 118 ? 20.17348 -2.87287  12.44446  1.000 79.22432 ? 118 THR   A CA  1 
ATOM   943  C  C   . THR   A 1 118 ? 20.83827 -1.69676  11.73690  1.000 78.85240 ? 118 THR   A C   1 
ATOM   944  O  O   . THR   A 1 118 ? 20.26222 -0.60277  11.66542  1.000 78.56375 ? 118 THR   A O   1 
ATOM   945  C  CB  . THR   A 1 118 ? 20.63846 -2.96195  13.89903  1.000 82.50045 ? 118 THR   A CB  1 
ATOM   946  O  OG1 . THR   A 1 118 ? 20.09140 -4.14720  14.49763  1.000 82.18141 ? 118 THR   A OG1 1 
ATOM   947  C  CG2 . THR   A 1 118 ? 20.18164 -1.72389  14.68786  1.000 83.95242 ? 118 THR   A CG2 1 
ATOM   948  N  N   . ILE   A 1 119 ? 22.04525 -1.92047  11.19844  1.000 74.90414 ? 119 ILE   A N   1 
ATOM   949  C  CA  . ILE   A 1 119 ? 22.80308 -0.87615  10.50512  1.000 72.80976 ? 119 ILE   A CA  1 
ATOM   950  C  C   . ILE   A 1 119 ? 22.02209 -0.35396  9.30074   1.000 74.34002 ? 119 ILE   A C   1 
ATOM   951  O  O   . ILE   A 1 119 ? 21.76239 0.84985   9.17452   1.000 72.69416 ? 119 ILE   A O   1 
ATOM   952  C  CB  . ILE   A 1 119 ? 24.18412 -1.42176  10.08536  1.000 67.50142 ? 119 ILE   A CB  1 
ATOM   953  C  CG1 . ILE   A 1 119 ? 24.95495 -1.95280  11.29676  1.000 64.26587 ? 119 ILE   A CG1 1 
ATOM   954  C  CG2 . ILE   A 1 119 ? 24.99225 -0.37734  9.32746   1.000 63.24825 ? 119 ILE   A CG2 1 
ATOM   955  C  CD1 . ILE   A 1 119 ? 24.63893 -1.20988  12.59925  1.000 72.65685 ? 119 ILE   A CD1 1 
ATOM   956  N  N   . ASN   A 1 120 ? 21.63679 -1.25900  8.39415   1.000 76.58010 ? 120 ASN   A N   1 
ATOM   957  C  CA  . ASN   A 1 120 ? 20.92869 -0.91569  7.16496   1.000 80.50977 ? 120 ASN   A CA  1 
ATOM   958  C  C   . ASN   A 1 120 ? 19.40529 -0.91560  7.33979   1.000 85.65666 ? 120 ASN   A C   1 
ATOM   959  O  O   . ASN   A 1 120 ? 18.67835 -1.20590  6.37744   1.000 89.41482 ? 120 ASN   A O   1 
ATOM   960  C  CB  . ASN   A 1 120 ? 21.32576 -1.87433  6.03122   1.000 78.43350 ? 120 ASN   A CB  1 
ATOM   961  C  CG  . ASN   A 1 120 ? 22.82546 -2.22272  6.02330   1.000 77.37940 ? 120 ASN   A CG  1 
ATOM   962  O  OD1 . ASN   A 1 120 ? 23.65678 -1.46520  5.50442   1.000 68.89829 ? 120 ASN   A OD1 1 
ATOM   963  N  ND2 . ASN   A 1 120 ? 23.16532 -3.39339  6.57549   1.000 68.75451 ? 120 ASN   A ND2 1 
ATOM   964  N  N   . GLU   A 1 121 ? 18.90261 -0.60826  8.53860   1.000 86.93765 ? 121 GLU   A N   1 
ATOM   965  C  CA  . GLU   A 1 121 ? 17.45832 -0.53070  8.78329   1.000 83.35334 ? 121 GLU   A CA  1 
ATOM   966  C  C   . GLU   A 1 121 ? 16.84541 0.67110   8.06649   1.000 86.89868 ? 121 GLU   A C   1 
ATOM   967  O  O   . GLU   A 1 121 ? 16.53804 0.60819   6.87311   1.000 86.77407 ? 121 GLU   A O   1 
ATOM   968  C  CB  . GLU   A 1 121 ? 17.16419 -0.45151  10.28550  1.000 78.66600 ? 121 GLU   A CB  1 
HETATM 969  C  C16 . A1IUH B 2 .   ? 23.92684 -33.08337 -10.08511 1.000 32.84686 ? 201 A1IUH A C16 1 
HETATM 970  C  C17 . A1IUH B 2 .   ? 23.03720 -32.13339 -9.45140  1.000 34.16050 ? 201 A1IUH A C17 1 
HETATM 971  C  C18 . A1IUH B 2 .   ? 23.59255 -33.95413 -11.29632 1.000 31.83474 ? 201 A1IUH A C18 1 
HETATM 972  C  C19 . A1IUH B 2 .   ? 22.31647 -34.89016 -11.15463 1.000 34.13613 ? 201 A1IUH A C19 1 
HETATM 973  C  C20 . A1IUH B 2 .   ? 20.98276 -34.12607 -11.03315 1.000 34.49017 ? 201 A1IUH A C20 1 
HETATM 974  C  C15 . A1IUH B 2 .   ? 23.23040 -30.45528 -7.41278  1.000 32.02430 ? 201 A1IUH A C15 1 
HETATM 975  C  C11 . A1IUH B 2 .   ? 26.40385 -33.65874 -9.46800  1.000 33.88781 ? 201 A1IUH A C11 1 
HETATM 976  C  C12 . A1IUH B 2 .   ? 25.14603 -32.98015 -9.37111  1.000 30.95369 ? 201 A1IUH A C12 1 
HETATM 977  C  C10 . A1IUH B 2 .   ? 27.41252 -31.37372 -10.26204 1.000 30.76025 ? 201 A1IUH A C10 1 
HETATM 978  C  C01 . A1IUH B 2 .   ? 25.22433 -35.84487 -8.63030  1.000 33.10826 ? 201 A1IUH A C01 1 
HETATM 979  C  C02 . A1IUH B 2 .   ? 26.47865 -35.03572 -9.09184  1.000 36.78098 ? 201 A1IUH A C02 1 
HETATM 980  C  C03 . A1IUH B 2 .   ? 27.75286 -35.64024 -9.16241  1.000 32.88793 ? 201 A1IUH A C03 1 
HETATM 981  C  C04 . A1IUH B 2 .   ? 28.89206 -34.90401 -9.57065  1.000 35.16559 ? 201 A1IUH A C04 1 
HETATM 982  C  C05 . A1IUH B 2 .   ? 30.27537 -35.55475 -9.62404  1.000 37.75164 ? 201 A1IUH A C05 1 
HETATM 983  C  C08 . A1IUH B 2 .   ? 28.76007 -33.53337 -9.91848  1.000 37.23775 ? 201 A1IUH A C08 1 
HETATM 984  C  C09 . A1IUH B 2 .   ? 27.53703 -32.86517 -9.85683  1.000 34.47915 ? 201 A1IUH A C09 1 
HETATM 985  C  C14 . A1IUH B 2 .   ? 23.69779 -31.51375 -8.38531  1.000 31.65874 ? 201 A1IUH A C14 1 
HETATM 986  C  C21 . A1IUH B 2 .   ? 21.07214 -32.59010 -11.15797 1.000 35.74263 ? 201 A1IUH A C21 1 
HETATM 987  C  C22 . A1IUH B 2 .   ? 21.65321 -31.92304 -9.94559  1.000 33.23253 ? 201 A1IUH A C22 1 
HETATM 988  N  N07 . A1IUH B 2 .   ? 31.42589 -34.85505 -10.02708 1.000 34.89685 ? 201 A1IUH A N07 1 
HETATM 989  N  N13 . A1IUH B 2 .   ? 24.94686 -32.05377 -8.36122  1.000 29.90216 ? 201 A1IUH A N13 1 
HETATM 990  O  O06 . A1IUH B 2 .   ? 30.39642 -36.74372 -9.27965  1.000 43.80211 ? 201 A1IUH A O06 1 
HETATM 991  O  O23 . A1IUH B 2 .   ? 20.94079 -31.13031 -9.30276  1.000 32.76623 ? 201 A1IUH A O23 1 
HETATM 992  S  S   . SO4   C 3 .   ? 34.49600 -26.32774 -13.34794 1.000 59.07197 ? 202 SO4   A S   1 
HETATM 993  O  O1  . SO4   C 3 .   ? 35.84783 -26.76388 -12.85847 1.000 56.67582 ? 202 SO4   A O1  1 
HETATM 994  O  O2  . SO4   C 3 .   ? 34.53034 -26.26356 -14.84866 1.000 50.79915 ? 202 SO4   A O2  1 
HETATM 995  O  O3  . SO4   C 3 .   ? 33.54294 -27.39543 -12.88468 1.000 47.62755 ? 202 SO4   A O3  1 
HETATM 996  O  O4  . SO4   C 3 .   ? 34.05717 -25.00536 -12.76500 1.000 51.72232 ? 202 SO4   A O4  1 
HETATM 997  CL CL  . CL    D 4 .   ? 28.18241 -38.87222 -6.74619  1.000 41.84711 ? 203 CL    A CL  1 
HETATM 998  O  O   . HOH   E 5 .   ? 16.69095 -19.64136 -2.95652  1.000 42.35913 ? 301 HOH   A O   1 
HETATM 999  O  O   . HOH   E 5 .   ? 20.48735 -28.35604 -8.64974  1.000 34.06766 ? 302 HOH   A O   1 
HETATM 1000 O  O   . HOH   E 5 .   ? 31.17428 -25.06936 13.79489  1.000 49.97290 ? 303 HOH   A O   1 
HETATM 1001 O  O   . HOH   E 5 .   ? 18.14137 -36.40962 -9.40981  1.000 39.86576 ? 304 HOH   A O   1 
HETATM 1002 O  O   . HOH   E 5 .   ? 14.37140 -35.25714 -0.16658  1.000 47.07428 ? 305 HOH   A O   1 
HETATM 1003 O  O   . HOH   E 5 .   ? 15.23168 -36.52941 -9.25182  1.000 38.20027 ? 306 HOH   A O   1 
HETATM 1004 O  O   . HOH   E 5 .   ? 11.23953 -31.39529 -8.00457  1.000 40.44251 ? 307 HOH   A O   1 
HETATM 1005 O  O   . HOH   E 5 .   ? 19.98657 -27.17661 -19.85491 1.000 40.84730 ? 308 HOH   A O   1 
HETATM 1006 O  O   . HOH   E 5 .   ? 16.84147 -29.56944 5.36018   1.000 37.78384 ? 309 HOH   A O   1 
HETATM 1007 O  O   . HOH   E 5 .   ? 28.08019 -29.38849 -21.29247 1.000 43.81273 ? 310 HOH   A O   1 
HETATM 1008 O  O   . HOH   E 5 .   ? 19.32742 -27.41534 11.04699  1.000 47.70569 ? 311 HOH   A O   1 
HETATM 1009 O  O   . HOH   E 5 .   ? 36.03084 -25.66460 -5.76994  1.000 39.11394 ? 312 HOH   A O   1 
HETATM 1010 O  O   . HOH   E 5 .   ? 30.46927 -30.64938 -8.20835  1.000 39.39776 ? 313 HOH   A O   1 
HETATM 1011 O  O   . HOH   E 5 .   ? 14.46174 -25.85148 -0.72607  1.000 42.31821 ? 314 HOH   A O   1 
HETATM 1012 O  O   . HOH   E 5 .   ? 18.28751 -17.84238 -1.64460  1.000 37.20244 ? 315 HOH   A O   1 
HETATM 1013 O  O   . HOH   E 5 .   ? 19.83226 -20.85829 4.72186   1.000 39.71287 ? 316 HOH   A O   1 
HETATM 1014 O  O   . HOH   E 5 .   ? 23.51531 -13.27154 -2.44627  1.000 40.51664 ? 317 HOH   A O   1 
HETATM 1015 O  O   . HOH   E 5 .   ? 21.94062 -27.35162 -6.33655  1.000 31.25159 ? 318 HOH   A O   1 
HETATM 1016 O  O   . HOH   E 5 .   ? 22.62483 -24.88564 -9.16043  1.000 33.97387 ? 319 HOH   A O   1 
HETATM 1017 O  O   . HOH   E 5 .   ? 32.34021 -33.72298 0.22073   1.000 35.62863 ? 320 HOH   A O   1 
HETATM 1018 O  O   . HOH   E 5 .   ? 34.05084 -19.42279 -9.74056  1.000 49.63041 ? 321 HOH   A O   1 
HETATM 1019 O  O   . HOH   E 5 .   ? 35.95377 -25.02239 7.87072   1.000 40.58079 ? 322 HOH   A O   1 
HETATM 1020 O  O   . HOH   E 5 .   ? 20.19511 -20.93936 11.50247  1.000 45.50744 ? 323 HOH   A O   1 
HETATM 1021 O  O   . HOH   E 5 .   ? 28.34134 -5.40361  6.00751   1.000 40.57945 ? 324 HOH   A O   1 
HETATM 1022 O  O   . HOH   E 5 .   ? 23.20549 -17.47719 -10.55563 1.000 42.52085 ? 325 HOH   A O   1 
HETATM 1023 O  O   . HOH   E 5 .   ? 29.99436 -30.48895 -13.07960 1.000 38.98134 ? 326 HOH   A O   1 
HETATM 1024 O  O   . HOH   E 5 .   ? 17.83899 -35.82909 4.00395   1.000 48.57187 ? 327 HOH   A O   1 
HETATM 1025 O  O   . HOH   E 5 .   ? 24.42367 -26.65511 -7.25313  1.000 30.77434 ? 328 HOH   A O   1 
HETATM 1026 O  O   . HOH   E 5 .   ? 37.14982 -17.90896 -0.87548  1.000 36.13343 ? 329 HOH   A O   1 
HETATM 1027 O  O   . HOH   E 5 .   ? 17.73344 -29.04965 -0.91856  1.000 33.57714 ? 330 HOH   A O   1 
HETATM 1028 O  O   . HOH   E 5 .   ? 34.70163 -29.76310 -13.69105 1.000 56.57178 ? 331 HOH   A O   1 
HETATM 1029 O  O   . HOH   E 5 .   ? 24.94756 -35.97248 3.47226   1.000 46.11906 ? 332 HOH   A O   1 
HETATM 1030 O  O   . HOH   E 5 .   ? 26.21248 -28.52181 -8.24448  1.000 32.77057 ? 333 HOH   A O   1 
HETATM 1031 O  O   . HOH   E 5 .   ? 33.30268 -30.56079 -2.20440  1.000 34.28045 ? 334 HOH   A O   1 
HETATM 1032 O  O   . HOH   E 5 .   ? 37.69300 -14.21877 1.44721   1.000 47.78641 ? 335 HOH   A O   1 
HETATM 1033 O  O   . HOH   E 5 .   ? 31.54607 -24.67830 -11.58781 1.000 34.10177 ? 336 HOH   A O   1 
HETATM 1034 O  O   . HOH   E 5 .   ? 35.51404 -14.57152 12.38010  1.000 53.07986 ? 337 HOH   A O   1 
HETATM 1035 O  O   . HOH   E 5 .   ? 9.53951  -34.47996 -5.71847  1.000 42.61268 ? 338 HOH   A O   1 
HETATM 1036 O  O   . HOH   E 5 .   ? 29.89659 -35.38617 6.70261   1.000 45.15108 ? 339 HOH   A O   1 
HETATM 1037 O  O   . HOH   E 5 .   ? 15.68009 -27.69348 0.68614   1.000 43.77691 ? 340 HOH   A O   1 
HETATM 1038 O  O   . HOH   E 5 .   ? 38.38303 -18.69104 7.41191   1.000 48.96231 ? 341 HOH   A O   1 
HETATM 1039 O  O   . HOH   E 5 .   ? 15.55663 -22.11684 -6.91876  1.000 40.99479 ? 342 HOH   A O   1 
HETATM 1040 O  O   . HOH   E 5 .   ? 38.45701 -11.76173 6.07026   1.000 41.50751 ? 343 HOH   A O   1 
HETATM 1041 O  O   . HOH   E 5 .   ? 16.62049 -31.35675 -1.68276  1.000 30.20384 ? 344 HOH   A O   1 
HETATM 1042 O  O   . HOH   E 5 .   ? 26.69714 -19.07901 -10.43559 1.000 38.14762 ? 345 HOH   A O   1 
HETATM 1043 O  O   . HOH   E 5 .   ? 14.89168 -21.46840 -11.65345 1.000 37.73417 ? 346 HOH   A O   1 
HETATM 1044 O  O   . HOH   E 5 .   ? 17.30695 -20.98930 -9.94113  1.000 31.85079 ? 347 HOH   A O   1 
HETATM 1045 O  O   . HOH   E 5 .   ? 31.71941 -33.72606 -13.85349 1.000 51.58817 ? 348 HOH   A O   1 
HETATM 1046 O  O   . HOH   E 5 .   ? 19.39561 -20.55538 9.28352   1.000 41.72151 ? 349 HOH   A O   1 
HETATM 1047 O  O   . HOH   E 5 .   ? 12.75719 -32.31528 -3.82208  1.000 39.47571 ? 350 HOH   A O   1 
HETATM 1048 O  O   . HOH   E 5 .   ? 31.97602 -30.65695 7.73531   1.000 38.81684 ? 351 HOH   A O   1 
HETATM 1049 O  O   . HOH   E 5 .   ? 38.45160 -24.52330 -2.05165  1.000 46.83386 ? 352 HOH   A O   1 
HETATM 1050 O  O   . HOH   E 5 .   ? 22.37813 -33.06472 8.64227   1.000 46.70136 ? 353 HOH   A O   1 
HETATM 1051 O  O   . HOH   E 5 .   ? 36.31586 -21.11784 -6.39218  1.000 38.62335 ? 354 HOH   A O   1 
HETATM 1052 O  O   . HOH   E 5 .   ? 19.75194 -38.58983 -7.41929  1.000 38.15180 ? 355 HOH   A O   1 
HETATM 1053 O  O   . HOH   E 5 .   ? 38.43952 -14.30626 4.61386   1.000 47.46927 ? 356 HOH   A O   1 
HETATM 1054 O  O   . HOH   E 5 .   ? 19.10305 -21.94470 -20.36033 1.000 48.46736 ? 357 HOH   A O   1 
HETATM 1055 O  O   . HOH   E 5 .   ? 31.70296 -21.96060 -10.55463 1.000 44.17300 ? 358 HOH   A O   1 
HETATM 1056 O  O   . HOH   E 5 .   ? 44.116   -14.481   -7.289    1.000 57.88132 ? 359 HOH   A O   1 
HETATM 1057 O  O   . HOH   E 5 .   ? 29.97746 -13.24010 -10.23086 1.000 43.94702 ? 360 HOH   A O   1 
HETATM 1058 O  O   . HOH   E 5 .   ? 17.47422 -26.78721 8.89044   1.000 44.66427 ? 361 HOH   A O   1 
HETATM 1059 O  O   . HOH   E 5 .   ? 27.11041 -36.97555 7.76400   1.000 55.24122 ? 362 HOH   A O   1 
HETATM 1060 O  O   . HOH   E 5 .   ? 14.02154 -32.14849 -1.60768  1.000 41.83376 ? 363 HOH   A O   1 
HETATM 1061 O  O   . HOH   E 5 .   ? 18.01297 -33.84684 7.06153   1.000 48.59394 ? 364 HOH   A O   1 
HETATM 1062 O  O   . HOH   E 5 .   ? 30.85842 -15.09910 16.59444  1.000 58.32414 ? 365 HOH   A O   1 
HETATM 1063 O  O   . HOH   E 5 .   ? 31.66816 -31.45924 -10.82469 1.000 42.36320 ? 366 HOH   A O   1 
HETATM 1064 O  O   . HOH   E 5 .   ? 13.13025 -23.07518 -5.94409  1.000 49.29539 ? 367 HOH   A O   1 
HETATM 1065 O  O   . HOH   E 5 .   ? 19.34355 -25.34741 12.95811  1.000 48.71128 ? 368 HOH   A O   1 
HETATM 1066 O  O   . HOH   E 5 .   ? 38.32557 -19.29662 -4.45056  1.000 45.86708 ? 369 HOH   A O   1 
HETATM 1067 O  O   . HOH   E 5 .   ? 43.611   -9.006    4.774     1.000 64.00126 ? 370 HOH   A O   1 
HETATM 1068 O  O   . HOH   E 5 .   ? 41.323   -6.868    13.709    1.000 49.43497 ? 371 HOH   A O   1 
HETATM 1069 O  O   . HOH   E 5 .   ? 18.07936 -19.21703 4.59228   1.000 42.17040 ? 372 HOH   A O   1 
HETATM 1070 O  O   . HOH   E 5 .   ? 19.54840 -33.96015 8.61895   1.000 46.70350 ? 373 HOH   A O   1 
HETATM 1071 O  O   . HOH   E 5 .   ? 28.52432 -18.72845 19.81297  1.000 57.61856 ? 374 HOH   A O   1 
HETATM 1072 O  O   . HOH   E 5 .   ? 23.92455 -39.53033 1.48863   1.000 55.09922 ? 375 HOH   A O   1 
HETATM 1073 O  O   . HOH   E 5 .   ? 42.08025 -5.74721  10.13918  1.000 57.29614 ? 376 HOH   A O   1 
HETATM 1074 O  O   . HOH   E 5 .   ? 33.77980 -38.05119 -5.75941  1.000 48.81414 ? 377 HOH   A O   1 
HETATM 1075 O  O   . HOH   E 5 .   ? 18.18729 -17.19679 2.62170   1.000 47.02313 ? 378 HOH   A O   1 
HETATM 1076 O  O   . HOH   E 5 .   ? 37.17290 -23.44558 -5.01858  1.000 46.23654 ? 379 HOH   A O   1 
HETATM 1077 O  O   . HOH   E 5 .   ? 15.45085 -19.69741 -5.67826  1.000 42.85265 ? 380 HOH   A O   1 
HETATM 1078 O  O   . HOH   E 5 .   ? 8.41303  -34.64016 -8.03753  1.000 48.00381 ? 381 HOH   A O   1 
HETATM 1079 O  O   . HOH   E 5 .   ? 34.72602 -31.63194 -4.18689  1.000 35.09940 ? 382 HOH   A O   1 
HETATM 1080 O  O   . HOH   E 5 .   ? 30.909   -44.390   2.732     1.000 47.60314 ? 383 HOH   A O   1 
HETATM 1081 O  O   . HOH   E 5 .   ? 16.81339 -17.43995 0.67990   1.000 44.06013 ? 384 HOH   A O   1 
HETATM 1082 O  O   . HOH   E 5 .   ? 30.17073 -18.43495 -11.20601 1.000 51.79077 ? 385 HOH   A O   1 
HETATM 1083 O  O   . HOH   E 5 .   ? 23.19950 -40.18271 -9.04760  0.50  53.04742 ? 386 HOH   A O   1 
# 
