data_9HHA
# 
_entry.id   9HHA 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.404 
_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   9HHA         pdb_00009hha 10.2210/pdb9hha/pdb 
WWPDB D_1292143299 ?            ?                   
# 
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 ? 
3 'Structure model' 1 2 2025-06-11 ? 
# 
_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             ? 
# 
loop_
_pdbx_audit_revision_group.ordinal 
_pdbx_audit_revision_group.revision_ordinal 
_pdbx_audit_revision_group.data_content_type 
_pdbx_audit_revision_group.group 
1 2 'Structure model' 'Database references' 
2 3 'Structure model' '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 
3 3 'Structure model' citation        
# 
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' 
5 3 'Structure model' '_citation.journal_volume'          
6 3 'Structure model' '_citation.page_first'              
7 3 'Structure model' '_citation.page_last'               
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9HHA 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-21 
_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 
# 
_pdbx_database_related.db_name        PDB 
_pdbx_database_related.details        . 
_pdbx_database_related.db_id          9HGF 
_pdbx_database_related.content_type   unspecified 
# 
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            20 
_citation.language                  ? 
_citation.page_first                e202500024 
_citation.page_last                 e202500024 
_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 'SULFATE ION'                                                                               96.063    2   ? ? ? 
? 
3 non-polymer syn '3-methyl-1-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-4-one' 307.310   1   ? ? ? 
? 
4 non-polymer syn 'CHLORIDE ION'                                                                              35.453    1   ? ? ? 
? 
5 water       nat water                                                                                       18.015    139 ? ? ? 
? 
# 
_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 'SULFATE ION'                                                                               SO4   
3 '3-methyl-1-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-4-one' A1IUX 
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 
A1IUX non-polymer         . '3-methyl-1-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-4-one' ? 
'C17 H16 F3 N O' 307.310 
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        A1IUX 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1IUX 
_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 SO4   1   201 1   SO4   SO4 A . 
C 2 SO4   1   202 2   SO4   SO4 A . 
D 3 A1IUX 1   203 1   A1IUX 692 A . 
E 4 CL    1   204 1   CL    CL  A . 
F 5 HOH   1   301 115 HOH   HOH A . 
F 5 HOH   2   302 120 HOH   HOH A . 
F 5 HOH   3   303 97  HOH   HOH A . 
F 5 HOH   4   304 66  HOH   HOH A . 
F 5 HOH   5   305 25  HOH   HOH A . 
F 5 HOH   6   306 116 HOH   HOH A . 
F 5 HOH   7   307 138 HOH   HOH A . 
F 5 HOH   8   308 59  HOH   HOH A . 
F 5 HOH   9   309 61  HOH   HOH A . 
F 5 HOH   10  310 71  HOH   HOH A . 
F 5 HOH   11  311 114 HOH   HOH A . 
F 5 HOH   12  312 35  HOH   HOH A . 
F 5 HOH   13  313 9   HOH   HOH A . 
F 5 HOH   14  314 60  HOH   HOH A . 
F 5 HOH   15  315 141 HOH   HOH A . 
F 5 HOH   16  316 96  HOH   HOH A . 
F 5 HOH   17  317 57  HOH   HOH A . 
F 5 HOH   18  318 77  HOH   HOH A . 
F 5 HOH   19  319 137 HOH   HOH A . 
F 5 HOH   20  320 121 HOH   HOH A . 
F 5 HOH   21  321 48  HOH   HOH A . 
F 5 HOH   22  322 45  HOH   HOH A . 
F 5 HOH   23  323 34  HOH   HOH A . 
F 5 HOH   24  324 51  HOH   HOH A . 
F 5 HOH   25  325 2   HOH   HOH A . 
F 5 HOH   26  326 131 HOH   HOH A . 
F 5 HOH   27  327 13  HOH   HOH A . 
F 5 HOH   28  328 31  HOH   HOH A . 
F 5 HOH   29  329 29  HOH   HOH A . 
F 5 HOH   30  330 39  HOH   HOH A . 
F 5 HOH   31  331 16  HOH   HOH A . 
F 5 HOH   32  332 98  HOH   HOH A . 
F 5 HOH   33  333 24  HOH   HOH A . 
F 5 HOH   34  334 37  HOH   HOH A . 
F 5 HOH   35  335 11  HOH   HOH A . 
F 5 HOH   36  336 50  HOH   HOH A . 
F 5 HOH   37  337 49  HOH   HOH A . 
F 5 HOH   38  338 4   HOH   HOH A . 
F 5 HOH   39  339 20  HOH   HOH A . 
F 5 HOH   40  340 88  HOH   HOH A . 
F 5 HOH   41  341 21  HOH   HOH A . 
F 5 HOH   42  342 14  HOH   HOH A . 
F 5 HOH   43  343 47  HOH   HOH A . 
F 5 HOH   44  344 76  HOH   HOH A . 
F 5 HOH   45  345 8   HOH   HOH A . 
F 5 HOH   46  346 15  HOH   HOH A . 
F 5 HOH   47  347 38  HOH   HOH A . 
F 5 HOH   48  348 58  HOH   HOH A . 
F 5 HOH   49  349 43  HOH   HOH A . 
F 5 HOH   50  350 3   HOH   HOH A . 
F 5 HOH   51  351 36  HOH   HOH A . 
F 5 HOH   52  352 122 HOH   HOH A . 
F 5 HOH   53  353 32  HOH   HOH A . 
F 5 HOH   54  354 40  HOH   HOH A . 
F 5 HOH   55  355 10  HOH   HOH A . 
F 5 HOH   56  356 42  HOH   HOH A . 
F 5 HOH   57  357 84  HOH   HOH A . 
F 5 HOH   58  358 26  HOH   HOH A . 
F 5 HOH   59  359 64  HOH   HOH A . 
F 5 HOH   60  360 92  HOH   HOH A . 
F 5 HOH   61  361 135 HOH   HOH A . 
F 5 HOH   62  362 5   HOH   HOH A . 
F 5 HOH   63  363 80  HOH   HOH A . 
F 5 HOH   64  364 56  HOH   HOH A . 
F 5 HOH   65  365 63  HOH   HOH A . 
F 5 HOH   66  366 85  HOH   HOH A . 
F 5 HOH   67  367 6   HOH   HOH A . 
F 5 HOH   68  368 7   HOH   HOH A . 
F 5 HOH   69  369 44  HOH   HOH A . 
F 5 HOH   70  370 12  HOH   HOH A . 
F 5 HOH   71  371 22  HOH   HOH A . 
F 5 HOH   72  372 67  HOH   HOH A . 
F 5 HOH   73  373 23  HOH   HOH A . 
F 5 HOH   74  374 53  HOH   HOH A . 
F 5 HOH   75  375 134 HOH   HOH A . 
F 5 HOH   76  376 52  HOH   HOH A . 
F 5 HOH   77  377 18  HOH   HOH A . 
F 5 HOH   78  378 117 HOH   HOH A . 
F 5 HOH   79  379 55  HOH   HOH A . 
F 5 HOH   80  380 70  HOH   HOH A . 
F 5 HOH   81  381 28  HOH   HOH A . 
F 5 HOH   82  382 46  HOH   HOH A . 
F 5 HOH   83  383 132 HOH   HOH A . 
F 5 HOH   84  384 41  HOH   HOH A . 
F 5 HOH   85  385 30  HOH   HOH A . 
F 5 HOH   86  386 62  HOH   HOH A . 
F 5 HOH   87  387 82  HOH   HOH A . 
F 5 HOH   88  388 75  HOH   HOH A . 
F 5 HOH   89  389 27  HOH   HOH A . 
F 5 HOH   90  390 118 HOH   HOH A . 
F 5 HOH   91  391 142 HOH   HOH A . 
F 5 HOH   92  392 123 HOH   HOH A . 
F 5 HOH   93  393 68  HOH   HOH A . 
F 5 HOH   94  394 91  HOH   HOH A . 
F 5 HOH   95  395 102 HOH   HOH A . 
F 5 HOH   96  396 95  HOH   HOH A . 
F 5 HOH   97  397 133 HOH   HOH A . 
F 5 HOH   98  398 69  HOH   HOH A . 
F 5 HOH   99  399 140 HOH   HOH A . 
F 5 HOH   100 400 81  HOH   HOH A . 
F 5 HOH   101 401 83  HOH   HOH A . 
F 5 HOH   102 402 129 HOH   HOH A . 
F 5 HOH   103 403 108 HOH   HOH A . 
F 5 HOH   104 404 104 HOH   HOH A . 
F 5 HOH   105 405 106 HOH   HOH A . 
F 5 HOH   106 406 130 HOH   HOH A . 
F 5 HOH   107 407 105 HOH   HOH A . 
F 5 HOH   108 408 74  HOH   HOH A . 
F 5 HOH   109 409 139 HOH   HOH A . 
F 5 HOH   110 410 17  HOH   HOH A . 
F 5 HOH   111 411 143 HOH   HOH A . 
F 5 HOH   112 412 100 HOH   HOH A . 
F 5 HOH   113 413 93  HOH   HOH A . 
F 5 HOH   114 414 103 HOH   HOH A . 
F 5 HOH   115 415 112 HOH   HOH A . 
F 5 HOH   116 416 101 HOH   HOH A . 
F 5 HOH   117 417 136 HOH   HOH A . 
F 5 HOH   118 418 125 HOH   HOH A . 
F 5 HOH   119 419 65  HOH   HOH A . 
F 5 HOH   120 420 73  HOH   HOH A . 
F 5 HOH   121 421 78  HOH   HOH A . 
F 5 HOH   122 422 119 HOH   HOH A . 
F 5 HOH   123 423 72  HOH   HOH A . 
F 5 HOH   124 424 79  HOH   HOH A . 
F 5 HOH   125 425 111 HOH   HOH A . 
F 5 HOH   126 426 99  HOH   HOH A . 
F 5 HOH   127 427 124 HOH   HOH A . 
F 5 HOH   128 428 86  HOH   HOH A . 
F 5 HOH   129 429 90  HOH   HOH A . 
F 5 HOH   130 430 94  HOH   HOH A . 
F 5 HOH   131 431 127 HOH   HOH A . 
F 5 HOH   132 432 54  HOH   HOH A . 
F 5 HOH   133 433 110 HOH   HOH A . 
F 5 HOH   134 434 128 HOH   HOH A . 
F 5 HOH   135 435 33  HOH   HOH A . 
F 5 HOH   136 436 126 HOH   HOH A . 
F 5 HOH   137 437 89  HOH   HOH A . 
F 5 HOH   138 438 113 HOH   HOH A . 
F 5 HOH   139 439 107 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 
# 
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 
? 'data reduction'  ? ? ? ? ? ? ? ? ? ? ? XDS         ? ? ? .         3 
? phasing           ? ? ? ? ? ? ? ? ? ? ? PHASER      ? ? ? .         4 
? 'data extraction' ? ? ? ? ? ? ? ? ? ? ? PDB_EXTRACT ? ? ? .         5 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  120.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9HHA 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     92.260 
_cell.length_a_esd                 ? 
_cell.length_b                     92.260 
_cell.length_b_esd                 ? 
_cell.length_c                     72.856 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_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                         9HHA 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                180 
_symmetry.space_group_name_Hall            ? 
_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                   9HHA 
_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             2.95 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          58.33 
_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, 0.5 M LiSO4, Tris pH 8' 
_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 16M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2022-09-23 
_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   1.000000 
_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                        'SLS BEAMLINE X06SA' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.000000 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   X06SA 
_diffrn_source.pdbx_synchrotron_site       SLS 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9HHA 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.90 
_reflns.d_resolution_low                               46.13 
_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                                     14965 
_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                           100.0 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                38.9 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          33.8 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               0.98 
_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                                0.076 
_reflns.pdbx_Rpim_I_all                                0.012 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       582177 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   1.000 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.075 
_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                                    1.90 
_reflns_shell.d_res_low                                     1.94 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           36438 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             935 
_reflns_shell.percent_possible_obs                          100.0 
_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                               39.0 
_reflns_shell.pdbx_chi_squared                              1.00 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     6.1 
_reflns_shell.pdbx_Rrim_I_all                               0.718 
_reflns_shell.pdbx_Rpim_I_all                               0.114 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.978 
_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                                  0.709 
_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                               ? 
_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                                 9HHA 
_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                            1.90 
_refine.ls_d_res_low                             46.13 
_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                     14932 
_refine.ls_number_reflns_R_free                  735 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.93 
_refine.ls_percent_reflns_R_free                 4.92 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1875 
_refine.ls_R_factor_R_free                       0.2068 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1865 
_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       ML 
_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             1.10 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.90 
_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                 22.75 
_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                            0.23 
_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                       1.90 
_refine_hist.d_res_low                        46.13 
_refine_hist.number_atoms_solvent             139 
_refine_hist.number_atoms_total               1141 
_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        969 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         33 
_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' ? 0.003  ? 1061 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.476  ? 1448 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 17.109 ? 391  ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.037  ? 156  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.002  ? 182  ? f_plane_restr      ? ? 
# 
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' 1.90 2.05  . . 149 2756 100.00 . . . . 0.2496 . . . . . . . . . . . 0.2737 
'X-RAY DIFFRACTION' 2.05 2.25  . . 124 2808 100.00 . . . . 0.1987 . . . . . . . . . . . 0.2478 
'X-RAY DIFFRACTION' 2.25 2.58  . . 139 2805 100.00 . . . . 0.2122 . . . . . . . . . . . 0.2252 
'X-RAY DIFFRACTION' 2.58 3.25  . . 167 2819 100.00 . . . . 0.1959 . . . . . . . . . . . 0.2330 
'X-RAY DIFFRACTION' 3.25 46.13 . . 156 3009 100.00 . . . . 0.1652 . . . . . . . . . . . 0.1745 
# 
_struct.entry_id                     9HHA 
_struct.title                        'Crystal Structure of the Plasmodium vivax Bromodomain PvBDP1 in complex with RMM4' 
_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        9HHA 
_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 2 ? 
D N N 3 ? 
E N N 4 ? 
F 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              9HHA 
_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 9HHA SER A 1   ? UNP A5KDW3 ? ? 'expression tag' 1   1 
1 9HHA LEU A 131 ? UNP A5KDW3 ? ? 'expression tag' 131 2 
1 9HHA GLU A 132 ? UNP A5KDW3 ? ? 'expression tag' 132 3 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
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)' 360  ? 
1 MORE         -23  ? 
1 'SSA (A^2)'  7220 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F 
# 
_pdbx_struct_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   ? TYR A 20  ? SER A 1   TYR A 20  1 ? 20 
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                   9HHA 
_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    371 
_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    420 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             2.19 
# 
_pdbx_validate_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    O 
_pdbx_validate_symm_contact.auth_asym_id_1    A 
_pdbx_validate_symm_contact.auth_comp_id_1    HOH 
_pdbx_validate_symm_contact.auth_seq_id_1     438 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    O 
_pdbx_validate_symm_contact.auth_asym_id_2    A 
_pdbx_validate_symm_contact.auth_comp_id_2    HOH 
_pdbx_validate_symm_contact.auth_seq_id_2     438 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   10_554 
_pdbx_validate_symm_contact.dist              2.19 
# 
_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     439 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   F 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
_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                       439 
_pdbx_distant_solvent_atoms.PDB_ins_code                      ? 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance   6.30 
_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 
A1IUX C14  C  Y N 1   
A1IUX C12  C  Y N 2   
A1IUX C10  C  N N 3   
A1IUX C01  C  N N 4   
A1IUX C02  C  N N 5   
A1IUX C03  C  N N 6   
A1IUX C04  C  N N 7   
A1IUX C05  C  N N 8   
A1IUX C07  C  Y N 9   
A1IUX C08  C  Y N 10  
A1IUX C09  C  Y N 11  
A1IUX C13  C  Y N 12  
A1IUX C15  C  Y N 13  
A1IUX C16  C  Y N 14  
A1IUX C17  C  Y N 15  
A1IUX C18  C  Y N 16  
A1IUX C19  C  N N 17  
A1IUX F20  F  N N 18  
A1IUX F21  F  N N 19  
A1IUX F22  F  N N 20  
A1IUX N11  N  Y N 21  
A1IUX O06  O  N N 22  
A1IUX H1   H  N N 23  
A1IUX H2   H  N N 24  
A1IUX H3   H  N N 25  
A1IUX H4   H  N N 26  
A1IUX H5   H  N N 27  
A1IUX H6   H  N N 28  
A1IUX H7   H  N N 29  
A1IUX H8   H  N N 30  
A1IUX H9   H  N N 31  
A1IUX H10  H  N N 32  
A1IUX H11  H  N N 33  
A1IUX H12  H  N N 34  
A1IUX H13  H  N N 35  
A1IUX H14  H  N N 36  
A1IUX H15  H  N N 37  
A1IUX H16  H  N N 38  
ALA   N    N  N N 39  
ALA   CA   C  N S 40  
ALA   C    C  N N 41  
ALA   O    O  N N 42  
ALA   CB   C  N N 43  
ALA   OXT  O  N N 44  
ALA   H    H  N N 45  
ALA   H2   H  N N 46  
ALA   HA   H  N N 47  
ALA   HB1  H  N N 48  
ALA   HB2  H  N N 49  
ALA   HB3  H  N N 50  
ALA   HXT  H  N N 51  
ARG   N    N  N N 52  
ARG   CA   C  N S 53  
ARG   C    C  N N 54  
ARG   O    O  N N 55  
ARG   CB   C  N N 56  
ARG   CG   C  N N 57  
ARG   CD   C  N N 58  
ARG   NE   N  N N 59  
ARG   CZ   C  N N 60  
ARG   NH1  N  N N 61  
ARG   NH2  N  N N 62  
ARG   OXT  O  N N 63  
ARG   H    H  N N 64  
ARG   H2   H  N N 65  
ARG   HA   H  N N 66  
ARG   HB2  H  N N 67  
ARG   HB3  H  N N 68  
ARG   HG2  H  N N 69  
ARG   HG3  H  N N 70  
ARG   HD2  H  N N 71  
ARG   HD3  H  N N 72  
ARG   HE   H  N N 73  
ARG   HH11 H  N N 74  
ARG   HH12 H  N N 75  
ARG   HH21 H  N N 76  
ARG   HH22 H  N N 77  
ARG   HXT  H  N N 78  
ASN   N    N  N N 79  
ASN   CA   C  N S 80  
ASN   C    C  N N 81  
ASN   O    O  N N 82  
ASN   CB   C  N N 83  
ASN   CG   C  N N 84  
ASN   OD1  O  N N 85  
ASN   ND2  N  N N 86  
ASN   OXT  O  N N 87  
ASN   H    H  N N 88  
ASN   H2   H  N N 89  
ASN   HA   H  N N 90  
ASN   HB2  H  N N 91  
ASN   HB3  H  N N 92  
ASN   HD21 H  N N 93  
ASN   HD22 H  N N 94  
ASN   HXT  H  N N 95  
ASP   N    N  N N 96  
ASP   CA   C  N S 97  
ASP   C    C  N N 98  
ASP   O    O  N N 99  
ASP   CB   C  N N 100 
ASP   CG   C  N N 101 
ASP   OD1  O  N N 102 
ASP   OD2  O  N N 103 
ASP   OXT  O  N N 104 
ASP   H    H  N N 105 
ASP   H2   H  N N 106 
ASP   HA   H  N N 107 
ASP   HB2  H  N N 108 
ASP   HB3  H  N N 109 
ASP   HD2  H  N N 110 
ASP   HXT  H  N N 111 
CL    CL   CL N N 112 
CYS   N    N  N N 113 
CYS   CA   C  N R 114 
CYS   C    C  N N 115 
CYS   O    O  N N 116 
CYS   CB   C  N N 117 
CYS   SG   S  N N 118 
CYS   OXT  O  N N 119 
CYS   H    H  N N 120 
CYS   H2   H  N N 121 
CYS   HA   H  N N 122 
CYS   HB2  H  N N 123 
CYS   HB3  H  N N 124 
CYS   HG   H  N N 125 
CYS   HXT  H  N N 126 
GLN   N    N  N N 127 
GLN   CA   C  N S 128 
GLN   C    C  N N 129 
GLN   O    O  N N 130 
GLN   CB   C  N N 131 
GLN   CG   C  N N 132 
GLN   CD   C  N N 133 
GLN   OE1  O  N N 134 
GLN   NE2  N  N N 135 
GLN   OXT  O  N N 136 
GLN   H    H  N N 137 
GLN   H2   H  N N 138 
GLN   HA   H  N N 139 
GLN   HB2  H  N N 140 
GLN   HB3  H  N N 141 
GLN   HG2  H  N N 142 
GLN   HG3  H  N N 143 
GLN   HE21 H  N N 144 
GLN   HE22 H  N N 145 
GLN   HXT  H  N N 146 
GLU   N    N  N N 147 
GLU   CA   C  N S 148 
GLU   C    C  N N 149 
GLU   O    O  N N 150 
GLU   CB   C  N N 151 
GLU   CG   C  N N 152 
GLU   CD   C  N N 153 
GLU   OE1  O  N N 154 
GLU   OE2  O  N N 155 
GLU   OXT  O  N N 156 
GLU   H    H  N N 157 
GLU   H2   H  N N 158 
GLU   HA   H  N N 159 
GLU   HB2  H  N N 160 
GLU   HB3  H  N N 161 
GLU   HG2  H  N N 162 
GLU   HG3  H  N N 163 
GLU   HE2  H  N N 164 
GLU   HXT  H  N N 165 
GLY   N    N  N N 166 
GLY   CA   C  N N 167 
GLY   C    C  N N 168 
GLY   O    O  N N 169 
GLY   OXT  O  N N 170 
GLY   H    H  N N 171 
GLY   H2   H  N N 172 
GLY   HA2  H  N N 173 
GLY   HA3  H  N N 174 
GLY   HXT  H  N N 175 
HIS   N    N  N N 176 
HIS   CA   C  N S 177 
HIS   C    C  N N 178 
HIS   O    O  N N 179 
HIS   CB   C  N N 180 
HIS   CG   C  Y N 181 
HIS   ND1  N  Y N 182 
HIS   CD2  C  Y N 183 
HIS   CE1  C  Y N 184 
HIS   NE2  N  Y N 185 
HIS   OXT  O  N N 186 
HIS   H    H  N N 187 
HIS   H2   H  N N 188 
HIS   HA   H  N N 189 
HIS   HB2  H  N N 190 
HIS   HB3  H  N N 191 
HIS   HD1  H  N N 192 
HIS   HD2  H  N N 193 
HIS   HE1  H  N N 194 
HIS   HE2  H  N N 195 
HIS   HXT  H  N N 196 
HOH   O    O  N N 197 
HOH   H1   H  N N 198 
HOH   H2   H  N N 199 
ILE   N    N  N N 200 
ILE   CA   C  N S 201 
ILE   C    C  N N 202 
ILE   O    O  N N 203 
ILE   CB   C  N S 204 
ILE   CG1  C  N N 205 
ILE   CG2  C  N N 206 
ILE   CD1  C  N N 207 
ILE   OXT  O  N N 208 
ILE   H    H  N N 209 
ILE   H2   H  N N 210 
ILE   HA   H  N N 211 
ILE   HB   H  N N 212 
ILE   HG12 H  N N 213 
ILE   HG13 H  N N 214 
ILE   HG21 H  N N 215 
ILE   HG22 H  N N 216 
ILE   HG23 H  N N 217 
ILE   HD11 H  N N 218 
ILE   HD12 H  N N 219 
ILE   HD13 H  N N 220 
ILE   HXT  H  N N 221 
LEU   N    N  N N 222 
LEU   CA   C  N S 223 
LEU   C    C  N N 224 
LEU   O    O  N N 225 
LEU   CB   C  N N 226 
LEU   CG   C  N N 227 
LEU   CD1  C  N N 228 
LEU   CD2  C  N N 229 
LEU   OXT  O  N N 230 
LEU   H    H  N N 231 
LEU   H2   H  N N 232 
LEU   HA   H  N N 233 
LEU   HB2  H  N N 234 
LEU   HB3  H  N N 235 
LEU   HG   H  N N 236 
LEU   HD11 H  N N 237 
LEU   HD12 H  N N 238 
LEU   HD13 H  N N 239 
LEU   HD21 H  N N 240 
LEU   HD22 H  N N 241 
LEU   HD23 H  N N 242 
LEU   HXT  H  N N 243 
LYS   N    N  N N 244 
LYS   CA   C  N S 245 
LYS   C    C  N N 246 
LYS   O    O  N N 247 
LYS   CB   C  N N 248 
LYS   CG   C  N N 249 
LYS   CD   C  N N 250 
LYS   CE   C  N N 251 
LYS   NZ   N  N N 252 
LYS   OXT  O  N N 253 
LYS   H    H  N N 254 
LYS   H2   H  N N 255 
LYS   HA   H  N N 256 
LYS   HB2  H  N N 257 
LYS   HB3  H  N N 258 
LYS   HG2  H  N N 259 
LYS   HG3  H  N N 260 
LYS   HD2  H  N N 261 
LYS   HD3  H  N N 262 
LYS   HE2  H  N N 263 
LYS   HE3  H  N N 264 
LYS   HZ1  H  N N 265 
LYS   HZ2  H  N N 266 
LYS   HZ3  H  N N 267 
LYS   HXT  H  N N 268 
MET   N    N  N N 269 
MET   CA   C  N S 270 
MET   C    C  N N 271 
MET   O    O  N N 272 
MET   CB   C  N N 273 
MET   CG   C  N N 274 
MET   SD   S  N N 275 
MET   CE   C  N N 276 
MET   OXT  O  N N 277 
MET   H    H  N N 278 
MET   H2   H  N N 279 
MET   HA   H  N N 280 
MET   HB2  H  N N 281 
MET   HB3  H  N N 282 
MET   HG2  H  N N 283 
MET   HG3  H  N N 284 
MET   HE1  H  N N 285 
MET   HE2  H  N N 286 
MET   HE3  H  N N 287 
MET   HXT  H  N N 288 
PHE   N    N  N N 289 
PHE   CA   C  N S 290 
PHE   C    C  N N 291 
PHE   O    O  N N 292 
PHE   CB   C  N N 293 
PHE   CG   C  Y N 294 
PHE   CD1  C  Y N 295 
PHE   CD2  C  Y N 296 
PHE   CE1  C  Y N 297 
PHE   CE2  C  Y N 298 
PHE   CZ   C  Y N 299 
PHE   OXT  O  N N 300 
PHE   H    H  N N 301 
PHE   H2   H  N N 302 
PHE   HA   H  N N 303 
PHE   HB2  H  N N 304 
PHE   HB3  H  N N 305 
PHE   HD1  H  N N 306 
PHE   HD2  H  N N 307 
PHE   HE1  H  N N 308 
PHE   HE2  H  N N 309 
PHE   HZ   H  N N 310 
PHE   HXT  H  N N 311 
PRO   N    N  N N 312 
PRO   CA   C  N S 313 
PRO   C    C  N N 314 
PRO   O    O  N N 315 
PRO   CB   C  N N 316 
PRO   CG   C  N N 317 
PRO   CD   C  N N 318 
PRO   OXT  O  N N 319 
PRO   H    H  N N 320 
PRO   HA   H  N N 321 
PRO   HB2  H  N N 322 
PRO   HB3  H  N N 323 
PRO   HG2  H  N N 324 
PRO   HG3  H  N N 325 
PRO   HD2  H  N N 326 
PRO   HD3  H  N N 327 
PRO   HXT  H  N N 328 
SER   N    N  N N 329 
SER   CA   C  N S 330 
SER   C    C  N N 331 
SER   O    O  N N 332 
SER   CB   C  N N 333 
SER   OG   O  N N 334 
SER   OXT  O  N N 335 
SER   H    H  N N 336 
SER   H2   H  N N 337 
SER   HA   H  N N 338 
SER   HB2  H  N N 339 
SER   HB3  H  N N 340 
SER   HG   H  N N 341 
SER   HXT  H  N N 342 
SO4   S    S  N N 343 
SO4   O1   O  N N 344 
SO4   O2   O  N N 345 
SO4   O3   O  N N 346 
SO4   O4   O  N N 347 
THR   N    N  N N 348 
THR   CA   C  N S 349 
THR   C    C  N N 350 
THR   O    O  N N 351 
THR   CB   C  N R 352 
THR   OG1  O  N N 353 
THR   CG2  C  N N 354 
THR   OXT  O  N N 355 
THR   H    H  N N 356 
THR   H2   H  N N 357 
THR   HA   H  N N 358 
THR   HB   H  N N 359 
THR   HG1  H  N N 360 
THR   HG21 H  N N 361 
THR   HG22 H  N N 362 
THR   HG23 H  N N 363 
THR   HXT  H  N N 364 
TRP   N    N  N N 365 
TRP   CA   C  N S 366 
TRP   C    C  N N 367 
TRP   O    O  N N 368 
TRP   CB   C  N N 369 
TRP   CG   C  Y N 370 
TRP   CD1  C  Y N 371 
TRP   CD2  C  Y N 372 
TRP   NE1  N  Y N 373 
TRP   CE2  C  Y N 374 
TRP   CE3  C  Y N 375 
TRP   CZ2  C  Y N 376 
TRP   CZ3  C  Y N 377 
TRP   CH2  C  Y N 378 
TRP   OXT  O  N N 379 
TRP   H    H  N N 380 
TRP   H2   H  N N 381 
TRP   HA   H  N N 382 
TRP   HB2  H  N N 383 
TRP   HB3  H  N N 384 
TRP   HD1  H  N N 385 
TRP   HE1  H  N N 386 
TRP   HE3  H  N N 387 
TRP   HZ2  H  N N 388 
TRP   HZ3  H  N N 389 
TRP   HH2  H  N N 390 
TRP   HXT  H  N N 391 
TYR   N    N  N N 392 
TYR   CA   C  N S 393 
TYR   C    C  N N 394 
TYR   O    O  N N 395 
TYR   CB   C  N N 396 
TYR   CG   C  Y N 397 
TYR   CD1  C  Y N 398 
TYR   CD2  C  Y N 399 
TYR   CE1  C  Y N 400 
TYR   CE2  C  Y N 401 
TYR   CZ   C  Y N 402 
TYR   OH   O  N N 403 
TYR   OXT  O  N N 404 
TYR   H    H  N N 405 
TYR   H2   H  N N 406 
TYR   HA   H  N N 407 
TYR   HB2  H  N N 408 
TYR   HB3  H  N N 409 
TYR   HD1  H  N N 410 
TYR   HD2  H  N N 411 
TYR   HE1  H  N N 412 
TYR   HE2  H  N N 413 
TYR   HH   H  N N 414 
TYR   HXT  H  N N 415 
VAL   N    N  N N 416 
VAL   CA   C  N S 417 
VAL   C    C  N N 418 
VAL   O    O  N N 419 
VAL   CB   C  N N 420 
VAL   CG1  C  N N 421 
VAL   CG2  C  N N 422 
VAL   OXT  O  N N 423 
VAL   H    H  N N 424 
VAL   H2   H  N N 425 
VAL   HA   H  N N 426 
VAL   HB   H  N N 427 
VAL   HG11 H  N N 428 
VAL   HG12 H  N N 429 
VAL   HG13 H  N N 430 
VAL   HG21 H  N N 431 
VAL   HG22 H  N N 432 
VAL   HG23 H  N N 433 
VAL   HXT  H  N N 434 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
A1IUX C01 C02  sing N N 1   
A1IUX C01 C08  sing N N 2   
A1IUX C04 C03  sing N N 3   
A1IUX C04 C05  sing N N 4   
A1IUX C02 C03  sing N N 5   
A1IUX C15 C14  doub Y N 6   
A1IUX C15 C16  sing Y N 7   
A1IUX C08 C07  sing Y N 8   
A1IUX C08 C12  doub Y N 9   
A1IUX C14 C13  sing Y N 10  
A1IUX C05 C07  sing N N 11  
A1IUX C05 O06  doub N N 12  
A1IUX C16 C17  doub Y N 13  
A1IUX F21 C19  sing N N 14  
A1IUX C13 C12  sing N N 15  
A1IUX C13 C18  doub Y N 16  
A1IUX C07 C09  doub Y N 17  
A1IUX C17 C18  sing Y N 18  
A1IUX C12 N11  sing Y N 19  
A1IUX C18 C19  sing N N 20  
A1IUX C19 F20  sing N N 21  
A1IUX C19 F22  sing N N 22  
A1IUX C09 N11  sing Y N 23  
A1IUX C09 C10  sing N N 24  
A1IUX C14 H1   sing N N 25  
A1IUX C10 H2   sing N N 26  
A1IUX C10 H3   sing N N 27  
A1IUX C10 H4   sing N N 28  
A1IUX C01 H5   sing N N 29  
A1IUX C01 H6   sing N N 30  
A1IUX C02 H7   sing N N 31  
A1IUX C02 H8   sing N N 32  
A1IUX C03 H9   sing N N 33  
A1IUX C03 H10  sing N N 34  
A1IUX C04 H11  sing N N 35  
A1IUX C04 H12  sing N N 36  
A1IUX C15 H13  sing N N 37  
A1IUX C16 H14  sing N N 38  
A1IUX C17 H15  sing N N 39  
A1IUX N11 H16  sing N N 40  
ALA   N   CA   sing N N 41  
ALA   N   H    sing N N 42  
ALA   N   H2   sing N N 43  
ALA   CA  C    sing N N 44  
ALA   CA  CB   sing N N 45  
ALA   CA  HA   sing N N 46  
ALA   C   O    doub N N 47  
ALA   C   OXT  sing N N 48  
ALA   CB  HB1  sing N N 49  
ALA   CB  HB2  sing N N 50  
ALA   CB  HB3  sing N N 51  
ALA   OXT HXT  sing N N 52  
ARG   N   CA   sing N N 53  
ARG   N   H    sing N N 54  
ARG   N   H2   sing N N 55  
ARG   CA  C    sing N N 56  
ARG   CA  CB   sing N N 57  
ARG   CA  HA   sing N N 58  
ARG   C   O    doub N N 59  
ARG   C   OXT  sing N N 60  
ARG   CB  CG   sing N N 61  
ARG   CB  HB2  sing N N 62  
ARG   CB  HB3  sing N N 63  
ARG   CG  CD   sing N N 64  
ARG   CG  HG2  sing N N 65  
ARG   CG  HG3  sing N N 66  
ARG   CD  NE   sing N N 67  
ARG   CD  HD2  sing N N 68  
ARG   CD  HD3  sing N N 69  
ARG   NE  CZ   sing N N 70  
ARG   NE  HE   sing N N 71  
ARG   CZ  NH1  sing N N 72  
ARG   CZ  NH2  doub N N 73  
ARG   NH1 HH11 sing N N 74  
ARG   NH1 HH12 sing N N 75  
ARG   NH2 HH21 sing N N 76  
ARG   NH2 HH22 sing N N 77  
ARG   OXT HXT  sing N N 78  
ASN   N   CA   sing N N 79  
ASN   N   H    sing N N 80  
ASN   N   H2   sing N N 81  
ASN   CA  C    sing N N 82  
ASN   CA  CB   sing N N 83  
ASN   CA  HA   sing N N 84  
ASN   C   O    doub N N 85  
ASN   C   OXT  sing N N 86  
ASN   CB  CG   sing N N 87  
ASN   CB  HB2  sing N N 88  
ASN   CB  HB3  sing N N 89  
ASN   CG  OD1  doub N N 90  
ASN   CG  ND2  sing N N 91  
ASN   ND2 HD21 sing N N 92  
ASN   ND2 HD22 sing N N 93  
ASN   OXT HXT  sing N N 94  
ASP   N   CA   sing N N 95  
ASP   N   H    sing N N 96  
ASP   N   H2   sing N N 97  
ASP   CA  C    sing N N 98  
ASP   CA  CB   sing N N 99  
ASP   CA  HA   sing N N 100 
ASP   C   O    doub N N 101 
ASP   C   OXT  sing N N 102 
ASP   CB  CG   sing N N 103 
ASP   CB  HB2  sing N N 104 
ASP   CB  HB3  sing N N 105 
ASP   CG  OD1  doub N N 106 
ASP   CG  OD2  sing N N 107 
ASP   OD2 HD2  sing N N 108 
ASP   OXT HXT  sing N N 109 
CYS   N   CA   sing N N 110 
CYS   N   H    sing N N 111 
CYS   N   H2   sing N N 112 
CYS   CA  C    sing N N 113 
CYS   CA  CB   sing N N 114 
CYS   CA  HA   sing N N 115 
CYS   C   O    doub N N 116 
CYS   C   OXT  sing N N 117 
CYS   CB  SG   sing N N 118 
CYS   CB  HB2  sing N N 119 
CYS   CB  HB3  sing N N 120 
CYS   SG  HG   sing N N 121 
CYS   OXT HXT  sing N N 122 
GLN   N   CA   sing N N 123 
GLN   N   H    sing N N 124 
GLN   N   H2   sing N N 125 
GLN   CA  C    sing N N 126 
GLN   CA  CB   sing N N 127 
GLN   CA  HA   sing N N 128 
GLN   C   O    doub N N 129 
GLN   C   OXT  sing N N 130 
GLN   CB  CG   sing N N 131 
GLN   CB  HB2  sing N N 132 
GLN   CB  HB3  sing N N 133 
GLN   CG  CD   sing N N 134 
GLN   CG  HG2  sing N N 135 
GLN   CG  HG3  sing N N 136 
GLN   CD  OE1  doub N N 137 
GLN   CD  NE2  sing N N 138 
GLN   NE2 HE21 sing N N 139 
GLN   NE2 HE22 sing N N 140 
GLN   OXT HXT  sing N N 141 
GLU   N   CA   sing N N 142 
GLU   N   H    sing N N 143 
GLU   N   H2   sing N N 144 
GLU   CA  C    sing N N 145 
GLU   CA  CB   sing N N 146 
GLU   CA  HA   sing N N 147 
GLU   C   O    doub N N 148 
GLU   C   OXT  sing N N 149 
GLU   CB  CG   sing N N 150 
GLU   CB  HB2  sing N N 151 
GLU   CB  HB3  sing N N 152 
GLU   CG  CD   sing N N 153 
GLU   CG  HG2  sing N N 154 
GLU   CG  HG3  sing N N 155 
GLU   CD  OE1  doub N N 156 
GLU   CD  OE2  sing N N 157 
GLU   OE2 HE2  sing N N 158 
GLU   OXT HXT  sing N N 159 
GLY   N   CA   sing N N 160 
GLY   N   H    sing N N 161 
GLY   N   H2   sing N N 162 
GLY   CA  C    sing N N 163 
GLY   CA  HA2  sing N N 164 
GLY   CA  HA3  sing N N 165 
GLY   C   O    doub N N 166 
GLY   C   OXT  sing N N 167 
GLY   OXT HXT  sing N N 168 
HIS   N   CA   sing N N 169 
HIS   N   H    sing N N 170 
HIS   N   H2   sing N N 171 
HIS   CA  C    sing N N 172 
HIS   CA  CB   sing N N 173 
HIS   CA  HA   sing N N 174 
HIS   C   O    doub N N 175 
HIS   C   OXT  sing N N 176 
HIS   CB  CG   sing N N 177 
HIS   CB  HB2  sing N N 178 
HIS   CB  HB3  sing N N 179 
HIS   CG  ND1  sing Y N 180 
HIS   CG  CD2  doub Y N 181 
HIS   ND1 CE1  doub Y N 182 
HIS   ND1 HD1  sing N N 183 
HIS   CD2 NE2  sing Y N 184 
HIS   CD2 HD2  sing N N 185 
HIS   CE1 NE2  sing Y N 186 
HIS   CE1 HE1  sing N N 187 
HIS   NE2 HE2  sing N N 188 
HIS   OXT HXT  sing N N 189 
HOH   O   H1   sing N N 190 
HOH   O   H2   sing N N 191 
ILE   N   CA   sing N N 192 
ILE   N   H    sing N N 193 
ILE   N   H2   sing N N 194 
ILE   CA  C    sing N N 195 
ILE   CA  CB   sing N N 196 
ILE   CA  HA   sing N N 197 
ILE   C   O    doub N N 198 
ILE   C   OXT  sing N N 199 
ILE   CB  CG1  sing N N 200 
ILE   CB  CG2  sing N N 201 
ILE   CB  HB   sing N N 202 
ILE   CG1 CD1  sing N N 203 
ILE   CG1 HG12 sing N N 204 
ILE   CG1 HG13 sing N N 205 
ILE   CG2 HG21 sing N N 206 
ILE   CG2 HG22 sing N N 207 
ILE   CG2 HG23 sing N N 208 
ILE   CD1 HD11 sing N N 209 
ILE   CD1 HD12 sing N N 210 
ILE   CD1 HD13 sing N N 211 
ILE   OXT HXT  sing N N 212 
LEU   N   CA   sing N N 213 
LEU   N   H    sing N N 214 
LEU   N   H2   sing N N 215 
LEU   CA  C    sing N N 216 
LEU   CA  CB   sing N N 217 
LEU   CA  HA   sing N N 218 
LEU   C   O    doub N N 219 
LEU   C   OXT  sing N N 220 
LEU   CB  CG   sing N N 221 
LEU   CB  HB2  sing N N 222 
LEU   CB  HB3  sing N N 223 
LEU   CG  CD1  sing N N 224 
LEU   CG  CD2  sing N N 225 
LEU   CG  HG   sing N N 226 
LEU   CD1 HD11 sing N N 227 
LEU   CD1 HD12 sing N N 228 
LEU   CD1 HD13 sing N N 229 
LEU   CD2 HD21 sing N N 230 
LEU   CD2 HD22 sing N N 231 
LEU   CD2 HD23 sing N N 232 
LEU   OXT HXT  sing N N 233 
LYS   N   CA   sing N N 234 
LYS   N   H    sing N N 235 
LYS   N   H2   sing N N 236 
LYS   CA  C    sing N N 237 
LYS   CA  CB   sing N N 238 
LYS   CA  HA   sing N N 239 
LYS   C   O    doub N N 240 
LYS   C   OXT  sing N N 241 
LYS   CB  CG   sing N N 242 
LYS   CB  HB2  sing N N 243 
LYS   CB  HB3  sing N N 244 
LYS   CG  CD   sing N N 245 
LYS   CG  HG2  sing N N 246 
LYS   CG  HG3  sing N N 247 
LYS   CD  CE   sing N N 248 
LYS   CD  HD2  sing N N 249 
LYS   CD  HD3  sing N N 250 
LYS   CE  NZ   sing N N 251 
LYS   CE  HE2  sing N N 252 
LYS   CE  HE3  sing N N 253 
LYS   NZ  HZ1  sing N N 254 
LYS   NZ  HZ2  sing N N 255 
LYS   NZ  HZ3  sing N N 256 
LYS   OXT HXT  sing N N 257 
MET   N   CA   sing N N 258 
MET   N   H    sing N N 259 
MET   N   H2   sing N N 260 
MET   CA  C    sing N N 261 
MET   CA  CB   sing N N 262 
MET   CA  HA   sing N N 263 
MET   C   O    doub N N 264 
MET   C   OXT  sing N N 265 
MET   CB  CG   sing N N 266 
MET   CB  HB2  sing N N 267 
MET   CB  HB3  sing N N 268 
MET   CG  SD   sing N N 269 
MET   CG  HG2  sing N N 270 
MET   CG  HG3  sing N N 271 
MET   SD  CE   sing N N 272 
MET   CE  HE1  sing N N 273 
MET   CE  HE2  sing N N 274 
MET   CE  HE3  sing N N 275 
MET   OXT HXT  sing N N 276 
PHE   N   CA   sing N N 277 
PHE   N   H    sing N N 278 
PHE   N   H2   sing N N 279 
PHE   CA  C    sing N N 280 
PHE   CA  CB   sing N N 281 
PHE   CA  HA   sing N N 282 
PHE   C   O    doub N N 283 
PHE   C   OXT  sing N N 284 
PHE   CB  CG   sing N N 285 
PHE   CB  HB2  sing N N 286 
PHE   CB  HB3  sing N N 287 
PHE   CG  CD1  doub Y N 288 
PHE   CG  CD2  sing Y N 289 
PHE   CD1 CE1  sing Y N 290 
PHE   CD1 HD1  sing N N 291 
PHE   CD2 CE2  doub Y N 292 
PHE   CD2 HD2  sing N N 293 
PHE   CE1 CZ   doub Y N 294 
PHE   CE1 HE1  sing N N 295 
PHE   CE2 CZ   sing Y N 296 
PHE   CE2 HE2  sing N N 297 
PHE   CZ  HZ   sing N N 298 
PHE   OXT HXT  sing N N 299 
PRO   N   CA   sing N N 300 
PRO   N   CD   sing N N 301 
PRO   N   H    sing N N 302 
PRO   CA  C    sing N N 303 
PRO   CA  CB   sing N N 304 
PRO   CA  HA   sing N N 305 
PRO   C   O    doub N N 306 
PRO   C   OXT  sing N N 307 
PRO   CB  CG   sing N N 308 
PRO   CB  HB2  sing N N 309 
PRO   CB  HB3  sing N N 310 
PRO   CG  CD   sing N N 311 
PRO   CG  HG2  sing N N 312 
PRO   CG  HG3  sing N N 313 
PRO   CD  HD2  sing N N 314 
PRO   CD  HD3  sing N N 315 
PRO   OXT HXT  sing N N 316 
SER   N   CA   sing N N 317 
SER   N   H    sing N N 318 
SER   N   H2   sing N N 319 
SER   CA  C    sing N N 320 
SER   CA  CB   sing N N 321 
SER   CA  HA   sing N N 322 
SER   C   O    doub N N 323 
SER   C   OXT  sing N N 324 
SER   CB  OG   sing N N 325 
SER   CB  HB2  sing N N 326 
SER   CB  HB3  sing N N 327 
SER   OG  HG   sing N N 328 
SER   OXT HXT  sing N N 329 
SO4   S   O1   doub N N 330 
SO4   S   O2   doub N N 331 
SO4   S   O3   sing N N 332 
SO4   S   O4   sing N N 333 
THR   N   CA   sing N N 334 
THR   N   H    sing N N 335 
THR   N   H2   sing N N 336 
THR   CA  C    sing N N 337 
THR   CA  CB   sing N N 338 
THR   CA  HA   sing N N 339 
THR   C   O    doub N N 340 
THR   C   OXT  sing N N 341 
THR   CB  OG1  sing N N 342 
THR   CB  CG2  sing N N 343 
THR   CB  HB   sing N N 344 
THR   OG1 HG1  sing N N 345 
THR   CG2 HG21 sing N N 346 
THR   CG2 HG22 sing N N 347 
THR   CG2 HG23 sing N N 348 
THR   OXT HXT  sing N N 349 
TRP   N   CA   sing N N 350 
TRP   N   H    sing N N 351 
TRP   N   H2   sing N N 352 
TRP   CA  C    sing N N 353 
TRP   CA  CB   sing N N 354 
TRP   CA  HA   sing N N 355 
TRP   C   O    doub N N 356 
TRP   C   OXT  sing N N 357 
TRP   CB  CG   sing N N 358 
TRP   CB  HB2  sing N N 359 
TRP   CB  HB3  sing N N 360 
TRP   CG  CD1  doub Y N 361 
TRP   CG  CD2  sing Y N 362 
TRP   CD1 NE1  sing Y N 363 
TRP   CD1 HD1  sing N N 364 
TRP   CD2 CE2  doub Y N 365 
TRP   CD2 CE3  sing Y N 366 
TRP   NE1 CE2  sing Y N 367 
TRP   NE1 HE1  sing N N 368 
TRP   CE2 CZ2  sing Y N 369 
TRP   CE3 CZ3  doub Y N 370 
TRP   CE3 HE3  sing N N 371 
TRP   CZ2 CH2  doub Y N 372 
TRP   CZ2 HZ2  sing N N 373 
TRP   CZ3 CH2  sing Y N 374 
TRP   CZ3 HZ3  sing N N 375 
TRP   CH2 HH2  sing N N 376 
TRP   OXT HXT  sing N N 377 
TYR   N   CA   sing N N 378 
TYR   N   H    sing N N 379 
TYR   N   H2   sing N N 380 
TYR   CA  C    sing N N 381 
TYR   CA  CB   sing N N 382 
TYR   CA  HA   sing N N 383 
TYR   C   O    doub N N 384 
TYR   C   OXT  sing N N 385 
TYR   CB  CG   sing N N 386 
TYR   CB  HB2  sing N N 387 
TYR   CB  HB3  sing N N 388 
TYR   CG  CD1  doub Y N 389 
TYR   CG  CD2  sing Y N 390 
TYR   CD1 CE1  sing Y N 391 
TYR   CD1 HD1  sing N N 392 
TYR   CD2 CE2  doub Y N 393 
TYR   CD2 HD2  sing N N 394 
TYR   CE1 CZ   doub Y N 395 
TYR   CE1 HE1  sing N N 396 
TYR   CE2 CZ   sing Y N 397 
TYR   CE2 HE2  sing N N 398 
TYR   CZ  OH   sing N N 399 
TYR   OH  HH   sing N N 400 
TYR   OXT HXT  sing N N 401 
VAL   N   CA   sing N N 402 
VAL   N   H    sing N N 403 
VAL   N   H2   sing N N 404 
VAL   CA  C    sing N N 405 
VAL   CA  CB   sing N N 406 
VAL   CA  HA   sing N N 407 
VAL   C   O    doub N N 408 
VAL   C   OXT  sing N N 409 
VAL   CB  CG1  sing N N 410 
VAL   CB  CG2  sing N N 411 
VAL   CB  HB   sing N N 412 
VAL   CG1 HG11 sing N N 413 
VAL   CG1 HG12 sing N N 414 
VAL   CG1 HG13 sing N N 415 
VAL   CG2 HG21 sing N N 416 
VAL   CG2 HG22 sing N N 417 
VAL   CG2 HG23 sing N N 418 
VAL   OXT HXT  sing N N 419 
# 
_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                    9HHA 
_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]   0.010839 
_atom_sites.fract_transf_matrix[1][2]   0.006258 
_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]   0.012516 
_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]   0.013726 
_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 
F  
N  
O  
S  
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N  N   . SER   A 1 1   ? 37.696 -6.633  11.464  1.00 32.42  ? 1   SER   A N   1 
ATOM   2    C  CA  . SER   A 1 1   ? 36.551 -5.727  11.450  1.00 29.27  ? 1   SER   A CA  1 
ATOM   3    C  C   . SER   A 1 1   ? 35.269 -6.467  11.061  1.00 30.88  ? 1   SER   A C   1 
ATOM   4    O  O   . SER   A 1 1   ? 35.318 -7.646  10.710  1.00 29.86  ? 1   SER   A O   1 
ATOM   5    C  CB  . SER   A 1 1   ? 36.808 -4.558  10.498  1.00 36.45  ? 1   SER   A CB  1 
ATOM   6    O  OG  . SER   A 1 1   ? 37.192 -5.020  9.216   1.00 43.76  ? 1   SER   A OG  1 
ATOM   7    N  N   . PHE   A 1 2   ? 34.137 -5.755  11.111  1.00 29.80  ? 2   PHE   A N   1 
ATOM   8    C  CA  . PHE   A 1 2   ? 32.824 -6.393  11.023  1.00 30.56  ? 2   PHE   A CA  1 
ATOM   9    C  C   . PHE   A 1 2   ? 32.678 -7.243  9.765   1.00 31.58  ? 2   PHE   A C   1 
ATOM   10   O  O   . PHE   A 1 2   ? 32.324 -8.425  9.838   1.00 32.71  ? 2   PHE   A O   1 
ATOM   11   C  CB  . PHE   A 1 2   ? 31.723 -5.330  11.075  1.00 28.29  ? 2   PHE   A CB  1 
ATOM   12   C  CG  . PHE   A 1 2   ? 30.328 -5.894  10.994  1.00 23.59  ? 2   PHE   A CG  1 
ATOM   13   C  CD1 . PHE   A 1 2   ? 29.691 -6.361  12.132  1.00 29.66  ? 2   PHE   A CD1 1 
ATOM   14   C  CD2 . PHE   A 1 2   ? 29.656 -5.958  9.782   1.00 26.45  ? 2   PHE   A CD2 1 
ATOM   15   C  CE1 . PHE   A 1 2   ? 28.409 -6.881  12.065  1.00 31.76  ? 2   PHE   A CE1 1 
ATOM   16   C  CE2 . PHE   A 1 2   ? 28.372 -6.480  9.708   1.00 32.58  ? 2   PHE   A CE2 1 
ATOM   17   C  CZ  . PHE   A 1 2   ? 27.751 -6.941  10.852  1.00 29.87  ? 2   PHE   A CZ  1 
ATOM   18   N  N   . ASN   A 1 3   ? 32.923 -6.649  8.594   1.00 26.48  ? 3   ASN   A N   1 
ATOM   19   C  CA  . ASN   A 1 3   ? 32.719 -7.383  7.348   1.00 34.53  ? 3   ASN   A CA  1 
ATOM   20   C  C   . ASN   A 1 3   ? 33.762 -8.479  7.172   1.00 38.19  ? 3   ASN   A C   1 
ATOM   21   O  O   . ASN   A 1 3   ? 33.459 -9.550  6.632   1.00 28.28  ? 3   ASN   A O   1 
ATOM   22   C  CB  . ASN   A 1 3   ? 32.735 -6.421  6.160   1.00 27.49  ? 3   ASN   A CB  1 
ATOM   23   C  CG  . ASN   A 1 3   ? 31.503 -5.535  6.113   1.00 28.08  ? 3   ASN   A CG  1 
ATOM   24   O  OD1 . ASN   A 1 3   ? 30.401 -5.961  6.452   1.00 30.85  ? 3   ASN   A OD1 1 
ATOM   25   N  ND2 . ASN   A 1 3   ? 31.687 -4.291  5.689   1.00 32.86  ? 3   ASN   A ND2 1 
ATOM   26   N  N   . LYS   A 1 4   ? 34.995 -8.233  7.624   1.00 29.18  ? 4   LYS   A N   1 
ATOM   27   C  CA  . LYS   A 1 4   ? 36.015 -9.274  7.580   1.00 30.15  ? 4   LYS   A CA  1 
ATOM   28   C  C   . LYS   A 1 4   ? 35.616 -10.480 8.421   1.00 35.76  ? 4   LYS   A C   1 
ATOM   29   O  O   . LYS   A 1 4   ? 35.927 -11.623 8.065   1.00 30.45  ? 4   LYS   A O   1 
ATOM   30   C  CB  . LYS   A 1 4   ? 37.359 -8.722  8.054   1.00 28.82  ? 4   LYS   A CB  1 
ATOM   31   C  CG  . LYS   A 1 4   ? 37.957 -7.653  7.156   1.00 44.52  ? 4   LYS   A CG  1 
ATOM   32   C  CD  . LYS   A 1 4   ? 39.409 -7.378  7.534   1.00 57.81  ? 4   LYS   A CD  1 
ATOM   33   C  CE  . LYS   A 1 4   ? 40.020 -6.297  6.655   1.00 68.17  ? 4   LYS   A CE  1 
ATOM   34   N  NZ  . LYS   A 1 4   ? 41.490 -6.170  6.869   1.00 72.59  ? 4   LYS   A NZ  1 
ATOM   35   N  N   . GLN   A 1 5   ? 34.912 -10.248 9.532   1.00 30.46  ? 5   GLN   A N   1 
ATOM   36   C  CA  A GLN   A 1 5   ? 34.588 -11.360 10.415  0.50 30.03  ? 5   GLN   A CA  1 
ATOM   37   C  CA  B GLN   A 1 5   ? 34.544 -11.334 10.441  0.50 30.10  ? 5   GLN   A CA  1 
ATOM   38   C  C   . GLN   A 1 5   ? 33.554 -12.295 9.789   1.00 32.16  ? 5   GLN   A C   1 
ATOM   39   O  O   . GLN   A 1 5   ? 33.710 -13.519 9.864   1.00 29.83  ? 5   GLN   A O   1 
ATOM   40   C  CB  A GLN   A 1 5   ? 34.121 -10.839 11.773  0.50 36.77  ? 5   GLN   A CB  1 
ATOM   41   C  CB  B GLN   A 1 5   ? 33.943 -10.765 11.729  0.50 36.28  ? 5   GLN   A CB  1 
ATOM   42   C  CG  A GLN   A 1 5   ? 35.263 -10.291 12.622  0.50 37.86  ? 5   GLN   A CG  1 
ATOM   43   C  CG  B GLN   A 1 5   ? 34.923 -10.094 12.674  0.50 45.30  ? 5   GLN   A CG  1 
ATOM   44   C  CD  A GLN   A 1 5   ? 36.470 -11.217 12.652  0.50 43.81  ? 5   GLN   A CD  1 
ATOM   45   C  CD  B GLN   A 1 5   ? 34.231 -9.507  13.894  0.50 42.36  ? 5   GLN   A CD  1 
ATOM   46   O  OE1 A GLN   A 1 5   ? 36.347 -12.411 12.932  0.50 47.60  ? 5   GLN   A OE1 1 
ATOM   47   O  OE1 B GLN   A 1 5   ? 33.717 -10.236 14.744  0.50 29.37  ? 5   GLN   A OE1 1 
ATOM   48   N  NE2 A GLN   A 1 5   ? 37.644 -10.669 12.357  0.50 52.12  ? 5   GLN   A NE2 1 
ATOM   49   N  NE2 B GLN   A 1 5   ? 34.206 -8.181  13.979  0.50 31.60  ? 5   GLN   A NE2 1 
ATOM   50   N  N   . TRP   A 1 6   ? 32.504 -11.756 9.165   1.00 31.12  ? 6   TRP   A N   1 
ATOM   51   C  CA  . TRP   A 1 6   ? 31.525 -12.669 8.581   1.00 29.15  ? 6   TRP   A CA  1 
ATOM   52   C  C   . TRP   A 1 6   ? 31.940 -13.175 7.205   1.00 36.34  ? 6   TRP   A C   1 
ATOM   53   O  O   . TRP   A 1 6   ? 31.446 -14.224 6.775   1.00 28.44  ? 6   TRP   A O   1 
ATOM   54   C  CB  . TRP   A 1 6   ? 30.126 -12.034 8.540   1.00 26.71  ? 6   TRP   A CB  1 
ATOM   55   C  CG  . TRP   A 1 6   ? 29.907 -10.815 7.676   1.00 27.16  ? 6   TRP   A CG  1 
ATOM   56   C  CD1 . TRP   A 1 6   ? 29.832 -9.518  8.098   1.00 31.44  ? 6   TRP   A CD1 1 
ATOM   57   C  CD2 . TRP   A 1 6   ? 29.657 -10.790 6.262   1.00 28.32  ? 6   TRP   A CD2 1 
ATOM   58   N  NE1 . TRP   A 1 6   ? 29.579 -8.685  7.032   1.00 27.07  ? 6   TRP   A NE1 1 
ATOM   59   C  CE2 . TRP   A 1 6   ? 29.471 -9.442  5.894   1.00 30.85  ? 6   TRP   A CE2 1 
ATOM   60   C  CE3 . TRP   A 1 6   ? 29.590 -11.776 5.269   1.00 30.83  ? 6   TRP   A CE3 1 
ATOM   61   C  CZ2 . TRP   A 1 6   ? 29.222 -9.053  4.576   1.00 32.02  ? 6   TRP   A CZ2 1 
ATOM   62   C  CZ3 . TRP   A 1 6   ? 29.345 -11.387 3.960   1.00 28.50  ? 6   TRP   A CZ3 1 
ATOM   63   C  CH2 . TRP   A 1 6   ? 29.162 -10.037 3.628   1.00 32.28  ? 6   TRP   A CH2 1 
ATOM   64   N  N   . TYR   A 1 7   ? 32.852 -12.481 6.519   1.00 24.82  ? 7   TYR   A N   1 
ATOM   65   C  CA  . TYR   A 1 7   ? 33.483 -13.072 5.341   1.00 27.36  ? 7   TYR   A CA  1 
ATOM   66   C  C   . TYR   A 1 7   ? 34.268 -14.322 5.714   1.00 35.88  ? 7   TYR   A C   1 
ATOM   67   O  O   . TYR   A 1 7   ? 34.193 -15.345 5.020   1.00 27.05  ? 7   TYR   A O   1 
ATOM   68   C  CB  . TYR   A 1 7   ? 34.397 -12.050 4.665   1.00 24.65  ? 7   TYR   A CB  1 
ATOM   69   C  CG  . TYR   A 1 7   ? 33.815 -11.420 3.419   1.00 27.89  ? 7   TYR   A CG  1 
ATOM   70   C  CD1 . TYR   A 1 7   ? 32.828 -10.447 3.505   1.00 27.05  ? 7   TYR   A CD1 1 
ATOM   71   C  CD2 . TYR   A 1 7   ? 34.263 -11.790 2.157   1.00 26.37  ? 7   TYR   A CD2 1 
ATOM   72   C  CE1 . TYR   A 1 7   ? 32.297 -9.864  2.369   1.00 28.60  ? 7   TYR   A CE1 1 
ATOM   73   C  CE2 . TYR   A 1 7   ? 33.737 -11.213 1.013   1.00 24.18  ? 7   TYR   A CE2 1 
ATOM   74   C  CZ  . TYR   A 1 7   ? 32.755 -10.250 1.127   1.00 24.41  ? 7   TYR   A CZ  1 
ATOM   75   O  OH  . TYR   A 1 7   ? 32.226 -9.666  -0.004  1.00 29.11  ? 7   TYR   A OH  1 
ATOM   76   N  N   . LEU   A 1 8   ? 35.030 -14.257 6.811   1.00 29.35  ? 8   LEU   A N   1 
ATOM   77   C  CA  A LEU   A 1 8   ? 35.798 -15.418 7.251   0.43 31.20  ? 8   LEU   A CA  1 
ATOM   78   C  CA  B LEU   A 1 8   ? 35.798 -15.419 7.247   0.57 31.18  ? 8   LEU   A CA  1 
ATOM   79   C  C   . LEU   A 1 8   ? 34.881 -16.569 7.641   1.00 33.95  ? 8   LEU   A C   1 
ATOM   80   O  O   . LEU   A 1 8   ? 35.137 -17.727 7.288   1.00 29.95  ? 8   LEU   A O   1 
ATOM   81   C  CB  A LEU   A 1 8   ? 36.701 -15.039 8.424   0.43 33.74  ? 8   LEU   A CB  1 
ATOM   82   C  CB  B LEU   A 1 8   ? 36.710 -15.035 8.411   0.57 33.76  ? 8   LEU   A CB  1 
ATOM   83   C  CG  A LEU   A 1 8   ? 37.936 -14.191 8.122   0.43 29.32  ? 8   LEU   A CG  1 
ATOM   84   C  CG  B LEU   A 1 8   ? 37.557 -16.157 9.015   0.57 37.10  ? 8   LEU   A CG  1 
ATOM   85   C  CD1 A LEU   A 1 8   ? 38.608 -13.755 9.414   0.43 37.73  ? 8   LEU   A CD1 1 
ATOM   86   C  CD1 B LEU   A 1 8   ? 38.464 -16.774 7.961   0.57 35.61  ? 8   LEU   A CD1 1 
ATOM   87   C  CD2 A LEU   A 1 8   ? 38.909 -14.966 7.247   0.43 35.47  ? 8   LEU   A CD2 1 
ATOM   88   C  CD2 B LEU   A 1 8   ? 38.370 -15.639 10.189  0.57 44.46  ? 8   LEU   A CD2 1 
ATOM   89   N  N   A LEU   A 1 9   ? 33.799 -16.265 8.361   0.46 27.33  ? 9   LEU   A N   1 
ATOM   90   N  N   B LEU   A 1 9   ? 33.815 -16.270 8.390   0.54 27.34  ? 9   LEU   A N   1 
ATOM   91   C  CA  A LEU   A 1 9   ? 32.867 -17.303 8.784   0.46 25.71  ? 9   LEU   A CA  1 
ATOM   92   C  CA  B LEU   A 1 9   ? 32.866 -17.309 8.780   0.54 25.74  ? 9   LEU   A CA  1 
ATOM   93   C  C   A LEU   A 1 9   ? 32.147 -17.920 7.591   0.46 33.18  ? 9   LEU   A C   1 
ATOM   94   C  C   B LEU   A 1 9   ? 32.199 -17.932 7.561   0.54 33.18  ? 9   LEU   A C   1 
ATOM   95   O  O   A LEU   A 1 9   ? 31.900 -19.132 7.567   0.46 32.11  ? 9   LEU   A O   1 
ATOM   96   O  O   B LEU   A 1 9   ? 32.033 -19.156 7.492   0.54 32.36  ? 9   LEU   A O   1 
ATOM   97   C  CB  A LEU   A 1 9   ? 31.866 -16.721 9.781   0.46 31.59  ? 9   LEU   A CB  1 
ATOM   98   C  CB  B LEU   A 1 9   ? 31.809 -16.733 9.722   0.54 31.63  ? 9   LEU   A CB  1 
ATOM   99   C  CG  A LEU   A 1 9   ? 31.062 -17.713 10.618  0.46 35.97  ? 9   LEU   A CG  1 
ATOM   100  C  CG  B LEU   A 1 9   ? 32.160 -16.608 11.205  0.54 36.98  ? 9   LEU   A CG  1 
ATOM   101  C  CD1 A LEU   A 1 9   ? 31.998 -18.697 11.298  0.46 40.55  ? 9   LEU   A CD1 1 
ATOM   102  C  CD1 B LEU   A 1 9   ? 30.961 -16.089 11.981  0.54 34.53  ? 9   LEU   A CD1 1 
ATOM   103  C  CD2 A LEU   A 1 9   ? 30.234 -16.966 11.645  0.46 34.14  ? 9   LEU   A CD2 1 
ATOM   104  C  CD2 B LEU   A 1 9   ? 32.620 -17.946 11.760  0.54 40.78  ? 9   LEU   A CD2 1 
ATOM   105  N  N   . ALA   A 1 10  ? 31.803 -17.103 6.591   1.00 27.87  ? 10  ALA   A N   1 
ATOM   106  C  CA  . ALA   A 1 10  ? 31.163 -17.628 5.388   1.00 26.29  ? 10  ALA   A CA  1 
ATOM   107  C  C   . ALA   A 1 10  ? 32.109 -18.535 4.613   1.00 30.41  ? 10  ALA   A C   1 
ATOM   108  O  O   . ALA   A 1 10  ? 31.685 -19.553 4.052   1.00 27.94  ? 10  ALA   A O   1 
ATOM   109  C  CB  . ALA   A 1 10  ? 30.679 -16.476 4.506   1.00 25.53  ? 10  ALA   A CB  1 
ATOM   110  N  N   . ASN   A 1 11  ? 33.395 -18.180 4.567   1.00 25.60  ? 11  ASN   A N   1 
ATOM   111  C  CA  . ASN   A 1 11  ? 34.378 -19.045 3.922   1.00 29.78  ? 11  ASN   A CA  1 
ATOM   112  C  C   . ASN   A 1 11  ? 34.494 -20.381 4.643   1.00 33.73  ? 11  ASN   A C   1 
ATOM   113  O  O   . ASN   A 1 11  ? 34.659 -21.428 4.006   1.00 32.46  ? 11  ASN   A O   1 
ATOM   114  C  CB  . ASN   A 1 11  ? 35.735 -18.344 3.867   1.00 28.24  ? 11  ASN   A CB  1 
ATOM   115  C  CG  . ASN   A 1 11  ? 35.963 -17.619 2.557   1.00 42.82  ? 11  ASN   A CG  1 
ATOM   116  O  OD1 . ASN   A 1 11  ? 35.868 -18.214 1.482   1.00 45.04  ? 11  ASN   A OD1 1 
ATOM   117  N  ND2 . ASN   A 1 11  ? 36.257 -16.326 2.638   1.00 51.01  ? 11  ASN   A ND2 1 
ATOM   118  N  N   . GLN   A 1 12  ? 34.408 -20.367 5.974   1.00 30.10  ? 12  GLN   A N   1 
ATOM   119  C  CA  . GLN   A 1 12  ? 34.470 -21.618 6.722   1.00 29.99  ? 12  GLN   A CA  1 
ATOM   120  C  C   . GLN   A 1 12  ? 33.215 -22.455 6.503   1.00 37.37  ? 12  GLN   A C   1 
ATOM   121  O  O   . GLN   A 1 12  ? 33.300 -23.678 6.344   1.00 30.32  ? 12  GLN   A O   1 
ATOM   122  C  CB  . GLN   A 1 12  ? 34.684 -21.326 8.206   1.00 30.69  ? 12  GLN   A CB  1 
ATOM   123  C  CG  . GLN   A 1 12  ? 36.107 -20.888 8.528   1.00 37.26  ? 12  GLN   A CG  1 
ATOM   124  C  CD  . GLN   A 1 12  ? 36.225 -20.171 9.859   1.00 62.59  ? 12  GLN   A CD  1 
ATOM   125  O  OE1 . GLN   A 1 12  ? 35.240 -20.002 10.579  1.00 63.45  ? 12  GLN   A OE1 1 
ATOM   126  N  NE2 . GLN   A 1 12  ? 37.438 -19.738 10.191  1.00 64.89  ? 12  GLN   A NE2 1 
ATOM   127  N  N   . ILE   A 1 13  ? 32.045 -21.814 6.472   1.00 26.82  ? 13  ILE   A N   1 
ATOM   128  C  CA  . ILE   A 1 13  ? 30.800 -22.557 6.292   1.00 32.55  ? 13  ILE   A CA  1 
ATOM   129  C  C   . ILE   A 1 13  ? 30.744 -23.175 4.900   1.00 35.17  ? 13  ILE   A C   1 
ATOM   130  O  O   . ILE   A 1 13  ? 30.387 -24.348 4.738   1.00 32.45  ? 13  ILE   A O   1 
ATOM   131  C  CB  . ILE   A 1 13  ? 29.585 -21.650 6.555   1.00 30.96  ? 13  ILE   A CB  1 
ATOM   132  C  CG1 . ILE   A 1 13  ? 29.532 -21.239 8.028   1.00 25.99  ? 13  ILE   A CG1 1 
ATOM   133  C  CG2 . ILE   A 1 13  ? 28.302 -22.358 6.152   1.00 28.49  ? 13  ILE   A CG2 1 
ATOM   134  C  CD1 . ILE   A 1 13  ? 28.461 -20.215 8.332   1.00 31.42  ? 13  ILE   A CD1 1 
ATOM   135  N  N   . ILE   A 1 14  ? 31.102 -22.398 3.873   1.00 28.61  ? 14  ILE   A N   1 
ATOM   136  C  CA  . ILE   A 1 14  ? 31.017 -22.909 2.506   1.00 28.67  ? 14  ILE   A CA  1 
ATOM   137  C  C   . ILE   A 1 14  ? 31.971 -24.083 2.317   1.00 29.97  ? 14  ILE   A C   1 
ATOM   138  O  O   . ILE   A 1 14  ? 31.641 -25.069 1.646   1.00 32.98  ? 14  ILE   A O   1 
ATOM   139  C  CB  . ILE   A 1 14  ? 31.273 -21.781 1.483   1.00 26.65  ? 14  ILE   A CB  1 
ATOM   140  C  CG1 . ILE   A 1 14  ? 30.816 -22.209 0.085   1.00 30.20  ? 14  ILE   A CG1 1 
ATOM   141  C  CG2 . ILE   A 1 14  ? 32.743 -21.362 1.454   1.00 26.70  ? 14  ILE   A CG2 1 
ATOM   142  C  CD1 . ILE   A 1 14  ? 29.320 -22.435 -0.027  1.00 32.05  ? 14  ILE   A CD1 1 
ATOM   143  N  N   . GLN   A 1 15  ? 33.151 -24.017 2.937   1.00 32.44  ? 15  GLN   A N   1 
ATOM   144  C  CA  . GLN   A 1 15  ? 34.096 -25.121 2.823   1.00 32.57  ? 15  GLN   A CA  1 
ATOM   145  C  C   . GLN   A 1 15  ? 33.593 -26.358 3.555   1.00 29.55  ? 15  GLN   A C   1 
ATOM   146  O  O   . GLN   A 1 15  ? 33.859 -27.486 3.121   1.00 31.69  ? 15  GLN   A O   1 
ATOM   147  C  CB  . GLN   A 1 15  ? 35.467 -24.700 3.353   1.00 41.15  ? 15  GLN   A CB  1 
ATOM   148  C  CG  . GLN   A 1 15  ? 36.571 -25.721 3.108   1.00 62.06  ? 15  GLN   A CG  1 
ATOM   149  C  CD  . GLN   A 1 15  ? 36.932 -25.867 1.638   1.00 81.55  ? 15  GLN   A CD  1 
ATOM   150  O  OE1 . GLN   A 1 15  ? 36.174 -26.434 0.848   1.00 57.97  ? 15  GLN   A OE1 1 
ATOM   151  N  NE2 . GLN   A 1 15  ? 38.100 -25.358 1.266   1.00 81.58  ? 15  GLN   A NE2 1 
ATOM   152  N  N   . SER   A 1 16  ? 32.856 -26.171 4.654   1.00 27.10  ? 16  SER   A N   1 
ATOM   153  C  CA  . SER   A 1 16  ? 32.279 -27.318 5.350   1.00 31.53  ? 16  SER   A CA  1 
ATOM   154  C  C   . SER   A 1 16  ? 31.163 -27.956 4.534   1.00 46.76  ? 16  SER   A C   1 
ATOM   155  O  O   . SER   A 1 16  ? 30.935 -29.168 4.639   1.00 30.19  ? 16  SER   A O   1 
ATOM   156  C  CB  . SER   A 1 16  ? 31.765 -26.906 6.732   1.00 31.98  ? 16  SER   A CB  1 
ATOM   157  O  OG  . SER   A 1 16  ? 30.490 -26.290 6.657   1.00 30.99  ? 16  SER   A OG  1 
ATOM   158  N  N   . LEU   A 1 17  ? 30.456 -27.165 3.722   1.00 25.36  ? 17  LEU   A N   1 
ATOM   159  C  CA  . LEU   A 1 17  ? 29.485 -27.746 2.799   1.00 26.64  ? 17  LEU   A CA  1 
ATOM   160  C  C   . LEU   A 1 17  ? 30.185 -28.529 1.696   1.00 37.61  ? 17  LEU   A C   1 
ATOM   161  O  O   . LEU   A 1 17  ? 29.739 -29.621 1.323   1.00 27.17  ? 17  LEU   A O   1 
ATOM   162  C  CB  . LEU   A 1 17  ? 28.599 -26.656 2.195   1.00 26.70  ? 17  LEU   A CB  1 
ATOM   163  C  CG  . LEU   A 1 17  ? 27.832 -25.710 3.123   1.00 32.98  ? 17  LEU   A CG  1 
ATOM   164  C  CD1 . LEU   A 1 17  ? 26.871 -24.844 2.316   1.00 28.40  ? 17  LEU   A CD1 1 
ATOM   165  C  CD2 . LEU   A 1 17  ? 27.085 -26.471 4.204   1.00 27.28  ? 17  LEU   A CD2 1 
ATOM   166  N  N   . SER   A 1 18  ? 31.284 -27.985 1.164   1.00 27.14  ? 18  SER   A N   1 
ATOM   167  C  CA  . SER   A 1 18  ? 32.038 -28.688 0.131   1.00 29.49  ? 18  SER   A CA  1 
ATOM   168  C  C   . SER   A 1 18  ? 32.518 -30.049 0.614   1.00 37.15  ? 18  SER   A C   1 
ATOM   169  O  O   . SER   A 1 18  ? 32.577 -31.000 -0.174  1.00 32.90  ? 18  SER   A O   1 
ATOM   170  C  CB  . SER   A 1 18  ? 33.234 -27.845 -0.319  1.00 26.22  ? 18  SER   A CB  1 
ATOM   171  O  OG  . SER   A 1 18  ? 32.813 -26.633 -0.924  1.00 31.56  ? 18  SER   A OG  1 
ATOM   172  N  N   . LYS   A 1 19  ? 32.861 -30.163 1.896   1.00 33.42  ? 19  LYS   A N   1 
ATOM   173  C  CA  . LYS   A 1 19  ? 33.396 -31.401 2.449   1.00 31.32  ? 19  LYS   A CA  1 
ATOM   174  C  C   . LYS   A 1 19  ? 32.323 -32.326 3.005   1.00 35.58  ? 19  LYS   A C   1 
ATOM   175  O  O   . LYS   A 1 19  ? 32.646 -33.452 3.400   1.00 34.90  ? 19  LYS   A O   1 
ATOM   176  C  CB  . LYS   A 1 19  ? 34.412 -31.091 3.552   1.00 35.98  ? 19  LYS   A CB  1 
ATOM   177  C  CG  . LYS   A 1 19  ? 35.616 -30.295 3.081   1.00 43.26  ? 19  LYS   A CG  1 
ATOM   178  C  CD  . LYS   A 1 19  ? 36.545 -29.985 4.242   1.00 59.12  ? 19  LYS   A CD  1 
ATOM   179  C  CE  . LYS   A 1 19  ? 37.713 -29.116 3.806   1.00 76.37  ? 19  LYS   A CE  1 
ATOM   180  N  NZ  . LYS   A 1 19  ? 38.475 -28.608 4.980   1.00 67.82  ? 19  LYS   A NZ  1 
ATOM   181  N  N   . TYR   A 1 20  ? 31.071 -31.881 3.062   1.00 28.86  ? 20  TYR   A N   1 
ATOM   182  C  CA  . TYR   A 1 20  ? 29.995 -32.743 3.527   1.00 31.12  ? 20  TYR   A CA  1 
ATOM   183  C  C   . TYR   A 1 20  ? 29.819 -33.920 2.573   1.00 27.93  ? 20  TYR   A C   1 
ATOM   184  O  O   . TYR   A 1 20  ? 30.041 -33.808 1.363   1.00 31.21  ? 20  TYR   A O   1 
ATOM   185  C  CB  . TYR   A 1 20  ? 28.691 -31.950 3.641   1.00 31.25  ? 20  TYR   A CB  1 
ATOM   186  C  CG  . TYR   A 1 20  ? 27.616 -32.613 4.478   1.00 34.48  ? 20  TYR   A CG  1 
ATOM   187  C  CD1 . TYR   A 1 20  ? 26.700 -33.485 3.906   1.00 35.43  ? 20  TYR   A CD1 1 
ATOM   188  C  CD2 . TYR   A 1 20  ? 27.511 -32.354 5.839   1.00 48.44  ? 20  TYR   A CD2 1 
ATOM   189  C  CE1 . TYR   A 1 20  ? 25.709 -34.086 4.668   1.00 45.45  ? 20  TYR   A CE1 1 
ATOM   190  C  CE2 . TYR   A 1 20  ? 26.526 -32.951 6.609   1.00 48.15  ? 20  TYR   A CE2 1 
ATOM   191  C  CZ  . TYR   A 1 20  ? 25.628 -33.816 6.019   1.00 39.43  ? 20  TYR   A CZ  1 
ATOM   192  O  OH  . TYR   A 1 20  ? 24.648 -34.412 6.781   1.00 62.84  ? 20  TYR   A OH  1 
ATOM   193  N  N   . GLU   A 1 21  ? 29.433 -35.060 3.137   1.00 35.42  ? 21  GLU   A N   1 
ATOM   194  C  CA  . GLU   A 1 21  ? 29.215 -36.273 2.357   1.00 39.79  ? 21  GLU   A CA  1 
ATOM   195  C  C   . GLU   A 1 21  ? 28.245 -36.019 1.211   1.00 27.90  ? 21  GLU   A C   1 
ATOM   196  O  O   . GLU   A 1 21  ? 27.074 -35.695 1.431   1.00 33.47  ? 21  GLU   A O   1 
ATOM   197  C  CB  . GLU   A 1 21  ? 28.689 -37.375 3.279   1.00 44.99  ? 21  GLU   A CB  1 
ATOM   198  C  CG  . GLU   A 1 21  ? 28.085 -38.570 2.571   1.00 56.04  ? 21  GLU   A CG  1 
ATOM   199  C  CD  . GLU   A 1 21  ? 27.881 -39.744 3.509   1.00 42.51  ? 21  GLU   A CD  1 
ATOM   200  O  OE1 . GLU   A 1 21  ? 28.891 -40.359 3.913   1.00 48.09  ? 21  GLU   A OE1 1 
ATOM   201  O  OE2 . GLU   A 1 21  ? 26.716 -40.046 3.849   1.00 46.54  ? 21  GLU   A OE2 1 
ATOM   202  N  N   . GLY   A 1 22  ? 28.744 -36.147 -0.018  1.00 27.95  ? 22  GLY   A N   1 
ATOM   203  C  CA  . GLY   A 1 22  ? 27.955 -35.877 -1.202  1.00 30.94  ? 22  GLY   A CA  1 
ATOM   204  C  C   . GLY   A 1 22  ? 27.973 -34.439 -1.674  1.00 32.64  ? 22  GLY   A C   1 
ATOM   205  O  O   . GLY   A 1 22  ? 27.376 -34.142 -2.718  1.00 28.69  ? 22  GLY   A O   1 
ATOM   206  N  N   . GLY   A 1 23  ? 28.645 -33.540 -0.951  1.00 28.91  ? 23  GLY   A N   1 
ATOM   207  C  CA  . GLY   A 1 23  ? 28.648 -32.131 -1.310  1.00 28.02  ? 23  GLY   A CA  1 
ATOM   208  C  C   . GLY   A 1 23  ? 29.286 -31.827 -2.649  1.00 26.33  ? 23  GLY   A C   1 
ATOM   209  O  O   . GLY   A 1 23  ? 29.054 -30.747 -3.205  1.00 29.40  ? 23  GLY   A O   1 
ATOM   210  N  N   . HIS   A 1 24  ? 30.076 -32.757 -3.189  1.00 24.41  ? 24  HIS   A N   1 
ATOM   211  C  CA  . HIS   A 1 24  ? 30.744 -32.515 -4.461  1.00 26.61  ? 24  HIS   A CA  1 
ATOM   212  C  C   . HIS   A 1 24  ? 29.760 -32.280 -5.599  1.00 22.50  ? 24  HIS   A C   1 
ATOM   213  O  O   . HIS   A 1 24  ? 30.118 -31.630 -6.587  1.00 26.30  ? 24  HIS   A O   1 
ATOM   214  C  CB  . HIS   A 1 24  ? 31.666 -33.688 -4.796  1.00 31.72  ? 24  HIS   A CB  1 
ATOM   215  C  CG  . HIS   A 1 24  ? 30.938 -34.969 -5.060  1.00 26.23  ? 24  HIS   A CG  1 
ATOM   216  N  ND1 . HIS   A 1 24  ? 30.494 -35.796 -4.050  1.00 31.62  ? 24  HIS   A ND1 1 
ATOM   217  C  CD2 . HIS   A 1 24  ? 30.572 -35.562 -6.220  1.00 30.63  ? 24  HIS   A CD2 1 
ATOM   218  C  CE1 . HIS   A 1 24  ? 29.885 -36.843 -4.578  1.00 25.19  ? 24  HIS   A CE1 1 
ATOM   219  N  NE2 . HIS   A 1 24  ? 29.918 -36.725 -5.893  1.00 27.87  ? 24  HIS   A NE2 1 
ATOM   220  N  N   . ILE   A 1 25  ? 28.523 -32.773 -5.482  1.00 21.53  ? 25  ILE   A N   1 
ATOM   221  C  CA  . ILE   A 1 25  ? 27.563 -32.589 -6.565  1.00 22.63  ? 25  ILE   A CA  1 
ATOM   222  C  C   . ILE   A 1 25  ? 27.114 -31.137 -6.686  1.00 22.50  ? 25  ILE   A C   1 
ATOM   223  O  O   . ILE   A 1 25  ? 26.544 -30.757 -7.714  1.00 23.46  ? 25  ILE   A O   1 
ATOM   224  C  CB  . ILE   A 1 25  ? 26.341 -33.512 -6.391  1.00 24.36  ? 25  ILE   A CB  1 
ATOM   225  C  CG1 . ILE   A 1 25  ? 25.460 -33.042 -5.233  1.00 24.66  ? 25  ILE   A CG1 1 
ATOM   226  C  CG2 . ILE   A 1 25  ? 26.793 -34.956 -6.180  1.00 24.35  ? 25  ILE   A CG2 1 
ATOM   227  C  CD1 . ILE   A 1 25  ? 24.137 -33.796 -5.123  1.00 24.50  ? 25  ILE   A CD1 1 
ATOM   228  N  N   . PHE   A 1 26  ? 27.347 -30.316 -5.661  1.00 26.25  ? 26  PHE   A N   1 
ATOM   229  C  CA  . PHE   A 1 26  ? 27.033 -28.890 -5.709  1.00 22.76  ? 26  PHE   A CA  1 
ATOM   230  C  C   . PHE   A 1 26  ? 28.264 -28.016 -5.898  1.00 25.69  ? 26  PHE   A C   1 
ATOM   231  O  O   . PHE   A 1 26  ? 28.135 -26.786 -5.929  1.00 22.55  ? 26  PHE   A O   1 
ATOM   232  C  CB  . PHE   A 1 26  ? 26.303 -28.462 -4.430  1.00 22.23  ? 26  PHE   A CB  1 
ATOM   233  C  CG  . PHE   A 1 26  ? 25.059 -29.253 -4.147  1.00 23.01  ? 26  PHE   A CG  1 
ATOM   234  C  CD1 . PHE   A 1 26  ? 23.943 -29.123 -4.957  1.00 21.83  ? 26  PHE   A CD1 1 
ATOM   235  C  CD2 . PHE   A 1 26  ? 25.002 -30.120 -3.067  1.00 27.34  ? 26  PHE   A CD2 1 
ATOM   236  C  CE1 . PHE   A 1 26  ? 22.790 -29.853 -4.700  1.00 25.86  ? 26  PHE   A CE1 1 
ATOM   237  C  CE2 . PHE   A 1 26  ? 23.853 -30.849 -2.803  1.00 27.65  ? 26  PHE   A CE2 1 
ATOM   238  C  CZ  . PHE   A 1 26  ? 22.750 -30.717 -3.624  1.00 26.97  ? 26  PHE   A CZ  1 
ATOM   239  N  N   . GLU   A 1 27  ? 29.449 -28.615 -6.032  1.00 25.38  ? 27  GLU   A N   1 
ATOM   240  C  CA  . GLU   A 1 27  ? 30.681 -27.830 -6.066  1.00 24.02  ? 27  GLU   A CA  1 
ATOM   241  C  C   . GLU   A 1 27  ? 30.778 -26.997 -7.338  1.00 28.22  ? 27  GLU   A C   1 
ATOM   242  O  O   . GLU   A 1 27  ? 31.139 -25.815 -7.290  1.00 22.54  ? 27  GLU   A O   1 
ATOM   243  C  CB  . GLU   A 1 27  ? 31.895 -28.752 -5.941  1.00 26.69  ? 27  GLU   A CB  1 
ATOM   244  C  CG  . GLU   A 1 27  ? 33.217 -28.005 -5.794  1.00 26.68  ? 27  GLU   A CG  1 
ATOM   245  C  CD  . GLU   A 1 27  ? 33.310 -27.252 -4.481  1.00 28.16  ? 27  GLU   A CD  1 
ATOM   246  O  OE1 . GLU   A 1 27  ? 32.714 -27.716 -3.489  1.00 27.76  ? 27  GLU   A OE1 1 
ATOM   247  O  OE2 . GLU   A 1 27  ? 33.974 -26.194 -4.439  1.00 28.02  ? 27  GLU   A OE2 1 
ATOM   248  N  N   . LYS   A 1 28  ? 30.475 -27.596 -8.485  1.00 23.15  ? 28  LYS   A N   1 
ATOM   249  C  CA  . LYS   A 1 28  ? 30.549 -26.916 -9.768  1.00 24.11  ? 28  LYS   A CA  1 
ATOM   250  C  C   . LYS   A 1 28  ? 29.160 -26.816 -10.381 1.00 26.72  ? 28  LYS   A C   1 
ATOM   251  O  O   . LYS   A 1 28  ? 28.240 -27.550 -10.009 1.00 25.94  ? 28  LYS   A O   1 
ATOM   252  C  CB  . LYS   A 1 28  ? 31.487 -27.647 -10.738 1.00 26.40  ? 28  LYS   A CB  1 
ATOM   253  C  CG  . LYS   A 1 28  ? 32.886 -27.912 -10.188 1.00 26.95  ? 28  LYS   A CG  1 
ATOM   254  C  CD  . LYS   A 1 28  ? 33.670 -26.626 -10.002 1.00 33.66  ? 28  LYS   A CD  1 
ATOM   255  C  CE  . LYS   A 1 28  ? 35.104 -26.928 -9.573  1.00 59.23  ? 28  LYS   A CE  1 
ATOM   256  N  NZ  . LYS   A 1 28  ? 35.897 -25.691 -9.351  1.00 58.51  ? 28  LYS   A NZ  1 
ATOM   257  N  N   . LEU   A 1 29  ? 29.019 -25.891 -11.329 1.00 22.70  ? 29  LEU   A N   1 
ATOM   258  C  CA  . LEU   A 1 29  ? 27.769 -25.764 -12.063 1.00 27.75  ? 29  LEU   A CA  1 
ATOM   259  C  C   . LEU   A 1 29  ? 27.516 -27.025 -12.879 1.00 26.40  ? 29  LEU   A C   1 
ATOM   260  O  O   . LEU   A 1 29  ? 28.448 -27.662 -13.378 1.00 23.78  ? 29  LEU   A O   1 
ATOM   261  C  CB  . LEU   A 1 29  ? 27.809 -24.533 -12.971 1.00 26.05  ? 29  LEU   A CB  1 
ATOM   262  C  CG  . LEU   A 1 29  ? 27.785 -23.189 -12.235 1.00 27.54  ? 29  LEU   A CG  1 
ATOM   263  C  CD1 . LEU   A 1 29  ? 28.250 -22.059 -13.140 1.00 27.27  ? 29  LEU   A CD1 1 
ATOM   264  C  CD2 . LEU   A 1 29  ? 26.385 -22.907 -11.703 1.00 25.08  ? 29  LEU   A CD2 1 
ATOM   265  N  N   . VAL   A 1 30  ? 26.240 -27.394 -12.994 1.00 23.00  ? 30  VAL   A N   1 
ATOM   266  C  CA  . VAL   A 1 30  ? 25.869 -28.607 -13.709 1.00 25.73  ? 30  VAL   A CA  1 
ATOM   267  C  C   . VAL   A 1 30  ? 26.256 -28.478 -15.174 1.00 25.29  ? 30  VAL   A C   1 
ATOM   268  O  O   . VAL   A 1 30  ? 25.986 -27.459 -15.820 1.00 25.81  ? 30  VAL   A O   1 
ATOM   269  C  CB  . VAL   A 1 30  ? 24.364 -28.876 -13.548 1.00 24.58  ? 30  VAL   A CB  1 
ATOM   270  C  CG1 . VAL   A 1 30  ? 23.911 -29.943 -14.517 1.00 25.22  ? 30  VAL   A CG1 1 
ATOM   271  C  CG2 . VAL   A 1 30  ? 24.048 -29.281 -12.119 1.00 25.73  ? 30  VAL   A CG2 1 
ATOM   272  N  N   . ASP   A 1 31  ? 26.912 -29.506 -15.700 1.00 23.80  ? 31  ASP   A N   1 
ATOM   273  C  CA  . ASP   A 1 31  ? 27.149 -29.622 -17.134 1.00 26.60  ? 31  ASP   A CA  1 
ATOM   274  C  C   . ASP   A 1 31  ? 25.967 -30.386 -17.717 1.00 27.24  ? 31  ASP   A C   1 
ATOM   275  O  O   . ASP   A 1 31  ? 25.853 -31.601 -17.526 1.00 27.81  ? 31  ASP   A O   1 
ATOM   276  C  CB  . ASP   A 1 31  ? 28.475 -30.328 -17.412 1.00 27.15  ? 31  ASP   A CB  1 
ATOM   277  C  CG  . ASP   A 1 31  ? 28.884 -30.265 -18.876 1.00 33.26  ? 31  ASP   A CG  1 
ATOM   278  O  OD1 . ASP   A 1 31  ? 28.033 -30.503 -19.761 1.00 30.17  ? 31  ASP   A OD1 1 
ATOM   279  O  OD2 . ASP   A 1 31  ? 30.071 -29.983 -19.144 1.00 30.86  ? 31  ASP   A OD2 1 
ATOM   280  N  N   . ALA   A 1 32  ? 25.079 -29.668 -18.410 1.00 26.39  ? 32  ALA   A N   1 
ATOM   281  C  CA  . ALA   A 1 32  ? 23.815 -30.257 -18.846 1.00 28.27  ? 32  ALA   A CA  1 
ATOM   282  C  C   . ALA   A 1 32  ? 24.037 -31.499 -19.701 1.00 37.42  ? 32  ALA   A C   1 
ATOM   283  O  O   . ALA   A 1 32  ? 23.342 -32.507 -19.533 1.00 33.09  ? 32  ALA   A O   1 
ATOM   284  C  CB  . ALA   A 1 32  ? 22.995 -29.221 -19.612 1.00 27.21  ? 32  ALA   A CB  1 
ATOM   285  N  N   . LYS   A 1 33  ? 25.008 -31.452 -20.614 1.00 31.97  ? 33  LYS   A N   1 
ATOM   286  C  CA  . LYS   A 1 33  ? 25.253 -32.592 -21.489 1.00 35.14  ? 33  LYS   A CA  1 
ATOM   287  C  C   . LYS   A 1 33  ? 25.968 -33.719 -20.749 1.00 34.40  ? 33  LYS   A C   1 
ATOM   288  O  O   . LYS   A 1 33  ? 25.552 -34.881 -20.824 1.00 34.63  ? 33  LYS   A O   1 
ATOM   289  C  CB  . LYS   A 1 33  ? 26.060 -32.151 -22.710 1.00 39.01  ? 33  LYS   A CB  1 
ATOM   290  C  CG  . LYS   A 1 33  ? 26.189 -33.214 -23.789 1.00 57.61  ? 33  LYS   A CG  1 
ATOM   291  N  N   . LYS   A 1 34  ? 27.040 -33.396 -20.020 1.00 30.02  ? 34  LYS   A N   1 
ATOM   292  C  CA  . LYS   A 1 34  ? 27.822 -34.442 -19.366 1.00 37.52  ? 34  LYS   A CA  1 
ATOM   293  C  C   . LYS   A 1 34  ? 27.042 -35.132 -18.253 1.00 35.20  ? 34  LYS   A C   1 
ATOM   294  O  O   . LYS   A 1 34  ? 27.258 -36.321 -17.999 1.00 30.45  ? 34  LYS   A O   1 
ATOM   295  C  CB  . LYS   A 1 34  ? 29.130 -33.872 -18.820 1.00 33.97  ? 34  LYS   A CB  1 
ATOM   296  C  CG  . LYS   A 1 34  ? 30.077 -33.363 -19.895 1.00 60.83  ? 34  LYS   A CG  1 
ATOM   297  C  CD  . LYS   A 1 34  ? 31.511 -33.814 -19.641 1.00 62.78  ? 34  LYS   A CD  1 
ATOM   298  C  CE  . LYS   A 1 34  ? 32.052 -33.270 -18.329 1.00 66.24  ? 34  LYS   A CE  1 
ATOM   299  N  NZ  . LYS   A 1 34  ? 33.476 -33.660 -18.116 1.00 94.75  ? 34  LYS   A NZ  1 
ATOM   300  N  N   A GLN   A 1 35  ? 26.143 -34.417 -17.579 0.55 29.77  ? 35  GLN   A N   1 
ATOM   301  N  N   B GLN   A 1 35  ? 26.147 -34.411 -17.580 0.45 29.80  ? 35  GLN   A N   1 
ATOM   302  C  CA  A GLN   A 1 35  ? 25.326 -35.010 -16.528 0.55 31.71  ? 35  GLN   A CA  1 
ATOM   303  C  CA  B GLN   A 1 35  ? 25.319 -34.981 -16.526 0.45 31.75  ? 35  GLN   A CA  1 
ATOM   304  C  C   A GLN   A 1 35  ? 24.008 -35.566 -17.051 0.55 34.65  ? 35  GLN   A C   1 
ATOM   305  C  C   B GLN   A 1 35  ? 24.005 -35.551 -17.049 0.45 34.62  ? 35  GLN   A C   1 
ATOM   306  O  O   A GLN   A 1 35  ? 23.147 -35.943 -16.248 0.55 30.02  ? 35  GLN   A O   1 
ATOM   307  O  O   B GLN   A 1 35  ? 23.145 -35.926 -16.246 0.45 30.05  ? 35  GLN   A O   1 
ATOM   308  C  CB  A GLN   A 1 35  ? 25.057 -33.988 -15.420 0.55 31.31  ? 35  GLN   A CB  1 
ATOM   309  C  CB  B GLN   A 1 35  ? 25.038 -33.931 -15.445 0.45 31.34  ? 35  GLN   A CB  1 
ATOM   310  C  CG  A GLN   A 1 35  ? 26.312 -33.504 -14.709 0.55 28.47  ? 35  GLN   A CG  1 
ATOM   311  C  CG  B GLN   A 1 35  ? 26.053 -33.902 -14.303 0.45 30.17  ? 35  GLN   A CG  1 
ATOM   312  C  CD  A GLN   A 1 35  ? 27.125 -34.640 -14.112 0.55 31.35  ? 35  GLN   A CD  1 
ATOM   313  C  CD  B GLN   A 1 35  ? 27.390 -33.296 -14.695 0.45 41.50  ? 35  GLN   A CD  1 
ATOM   314  O  OE1 A GLN   A 1 35  ? 26.581 -35.676 -13.726 0.55 34.64  ? 35  GLN   A OE1 1 
ATOM   315  O  OE1 B GLN   A 1 35  ? 27.527 -32.076 -14.797 0.45 32.23  ? 35  GLN   A OE1 1 
ATOM   316  N  NE2 A GLN   A 1 35  ? 28.436 -34.449 -14.035 0.55 37.83  ? 35  GLN   A NE2 1 
ATOM   317  N  NE2 B GLN   A 1 35  ? 28.388 -34.148 -14.901 0.45 34.64  ? 35  GLN   A NE2 1 
ATOM   318  N  N   . ASN   A 1 36  ? 23.833 -35.618 -18.372 1.00 25.70  ? 36  ASN   A N   1 
ATOM   319  C  CA  . ASN   A 1 36  ? 22.639 -36.198 -18.995 1.00 29.52  ? 36  ASN   A CA  1 
ATOM   320  C  C   . ASN   A 1 36  ? 21.350 -35.527 -18.521 1.00 36.99  ? 36  ASN   A C   1 
ATOM   321  O  O   . ASN   A 1 36  ? 20.338 -36.185 -18.275 1.00 32.19  ? 36  ASN   A O   1 
ATOM   322  C  CB  . ASN   A 1 36  ? 22.585 -37.711 -18.771 1.00 27.86  ? 36  ASN   A CB  1 
ATOM   323  C  CG  . ASN   A 1 36  ? 23.807 -38.422 -19.324 1.00 31.79  ? 36  ASN   A CG  1 
ATOM   324  O  OD1 . ASN   A 1 36  ? 24.016 -38.465 -20.537 1.00 43.01  ? 36  ASN   A OD1 1 
ATOM   325  N  ND2 . ASN   A 1 36  ? 24.619 -38.988 -18.436 1.00 35.77  ? 36  ASN   A ND2 1 
ATOM   326  N  N   . CYS   A 1 37  ? 21.385 -34.205 -18.386 1.00 25.48  ? 37  CYS   A N   1 
ATOM   327  C  CA  A CYS   A 1 37  ? 20.200 -33.409 -18.063 0.54 25.13  ? 37  CYS   A CA  1 
ATOM   328  C  CA  B CYS   A 1 37  ? 20.211 -33.399 -18.052 0.46 25.14  ? 37  CYS   A CA  1 
ATOM   329  C  C   . CYS   A 1 37  ? 20.136 -32.232 -19.027 1.00 33.64  ? 37  CYS   A C   1 
ATOM   330  O  O   . CYS   A 1 37  ? 20.331 -31.070 -18.642 1.00 27.20  ? 37  CYS   A O   1 
ATOM   331  C  CB  A CYS   A 1 37  ? 20.216 -32.953 -16.603 0.54 30.60  ? 37  CYS   A CB  1 
ATOM   332  C  CB  B CYS   A 1 37  ? 20.272 -32.903 -16.607 0.46 30.71  ? 37  CYS   A CB  1 
ATOM   333  S  SG  A CYS   A 1 37  ? 21.774 -32.259 -16.040 0.54 26.68  ? 37  CYS   A SG  1 
ATOM   334  S  SG  B CYS   A 1 37  ? 20.429 -34.198 -15.365 0.46 36.82  ? 37  CYS   A SG  1 
ATOM   335  N  N   . PRO   A 1 38  ? 19.854 -32.504 -20.305 1.00 27.77  ? 38  PRO   A N   1 
ATOM   336  C  CA  . PRO   A 1 38  ? 19.906 -31.437 -21.319 1.00 27.66  ? 38  PRO   A CA  1 
ATOM   337  C  C   . PRO   A 1 38  ? 18.885 -30.329 -21.118 1.00 28.07  ? 38  PRO   A C   1 
ATOM   338  O  O   . PRO   A 1 38  ? 19.026 -29.271 -21.743 1.00 32.31  ? 38  PRO   A O   1 
ATOM   339  C  CB  . PRO   A 1 38  ? 19.656 -32.191 -22.632 1.00 41.28  ? 38  PRO   A CB  1 
ATOM   340  C  CG  . PRO   A 1 38  ? 18.917 -33.425 -22.227 1.00 36.37  ? 38  PRO   A CG  1 
ATOM   341  C  CD  . PRO   A 1 38  ? 19.461 -33.801 -20.884 1.00 34.14  ? 38  PRO   A CD  1 
ATOM   342  N  N   . ASP   A 1 39  ? 17.875 -30.524 -20.272 1.00 28.63  ? 39  ASP   A N   1 
ATOM   343  C  CA  . ASP   A 1 39  ? 16.875 -29.498 -20.010 1.00 30.44  ? 39  ASP   A CA  1 
ATOM   344  C  C   . ASP   A 1 39  ? 17.156 -28.711 -18.736 1.00 29.07  ? 39  ASP   A C   1 
ATOM   345  O  O   . ASP   A 1 39  ? 16.302 -27.931 -18.304 1.00 29.43  ? 39  ASP   A O   1 
ATOM   346  C  CB  . ASP   A 1 39  ? 15.484 -30.129 -19.930 1.00 28.97  ? 39  ASP   A CB  1 
ATOM   347  C  CG  . ASP   A 1 39  ? 15.343 -31.086 -18.757 1.00 33.67  ? 39  ASP   A CG  1 
ATOM   348  O  OD1 . ASP   A 1 39  ? 16.379 -31.551 -18.236 1.00 36.66  ? 39  ASP   A OD1 1 
ATOM   349  O  OD2 . ASP   A 1 39  ? 14.194 -31.376 -18.358 1.00 40.04  ? 39  ASP   A OD2 1 
ATOM   350  N  N   . TYR   A 1 40  ? 18.335 -28.891 -18.131 1.00 26.68  ? 40  TYR   A N   1 
ATOM   351  C  CA  . TYR   A 1 40  ? 18.584 -28.327 -16.807 1.00 22.68  ? 40  TYR   A CA  1 
ATOM   352  C  C   . TYR   A 1 40  ? 18.455 -26.809 -16.815 1.00 25.01  ? 40  TYR   A C   1 
ATOM   353  O  O   . TYR   A 1 40  ? 17.808 -26.226 -15.938 1.00 26.71  ? 40  TYR   A O   1 
ATOM   354  C  CB  . TYR   A 1 40  ? 19.967 -28.742 -16.301 1.00 24.27  ? 40  TYR   A CB  1 
ATOM   355  C  CG  . TYR   A 1 40  ? 20.264 -28.226 -14.909 1.00 22.18  ? 40  TYR   A CG  1 
ATOM   356  C  CD1 . TYR   A 1 40  ? 19.825 -28.915 -13.784 1.00 22.73  ? 40  TYR   A CD1 1 
ATOM   357  C  CD2 . TYR   A 1 40  ? 20.972 -27.046 -14.720 1.00 30.88  ? 40  TYR   A CD2 1 
ATOM   358  C  CE1 . TYR   A 1 40  ? 20.088 -28.444 -12.509 1.00 25.57  ? 40  TYR   A CE1 1 
ATOM   359  C  CE2 . TYR   A 1 40  ? 21.235 -26.565 -13.450 1.00 25.43  ? 40  TYR   A CE2 1 
ATOM   360  C  CZ  . TYR   A 1 40  ? 20.794 -27.266 -12.349 1.00 26.81  ? 40  TYR   A CZ  1 
ATOM   361  O  OH  . TYR   A 1 40  ? 21.066 -26.783 -11.087 1.00 27.17  ? 40  TYR   A OH  1 
ATOM   362  N  N   . TYR   A 1 41  ? 19.073 -26.148 -17.791 1.00 24.56  ? 41  TYR   A N   1 
ATOM   363  C  CA  . TYR   A 1 41  ? 19.041 -24.692 -17.822 1.00 27.64  ? 41  TYR   A CA  1 
ATOM   364  C  C   . TYR   A 1 41  ? 17.784 -24.145 -18.481 1.00 28.05  ? 41  TYR   A C   1 
ATOM   365  O  O   . TYR   A 1 41  ? 17.613 -22.921 -18.539 1.00 34.87  ? 41  TYR   A O   1 
ATOM   366  C  CB  . TYR   A 1 41  ? 20.308 -24.163 -18.499 1.00 25.76  ? 41  TYR   A CB  1 
ATOM   367  C  CG  . TYR   A 1 41  ? 21.533 -24.473 -17.671 1.00 24.95  ? 41  TYR   A CG  1 
ATOM   368  C  CD1 . TYR   A 1 41  ? 21.768 -23.801 -16.478 1.00 23.58  ? 41  TYR   A CD1 1 
ATOM   369  C  CD2 . TYR   A 1 41  ? 22.429 -25.463 -18.054 1.00 23.69  ? 41  TYR   A CD2 1 
ATOM   370  C  CE1 . TYR   A 1 41  ? 22.874 -24.085 -15.702 1.00 23.59  ? 41  TYR   A CE1 1 
ATOM   371  C  CE2 . TYR   A 1 41  ? 23.542 -25.757 -17.282 1.00 24.60  ? 41  TYR   A CE2 1 
ATOM   372  C  CZ  . TYR   A 1 41  ? 23.754 -25.066 -16.105 1.00 26.86  ? 41  TYR   A CZ  1 
ATOM   373  O  OH  . TYR   A 1 41  ? 24.851 -25.345 -15.327 1.00 26.27  ? 41  TYR   A OH  1 
ATOM   374  N  N   . ASP   A 1 42  ? 16.900 -25.019 -18.967 1.00 28.23  ? 42  ASP   A N   1 
ATOM   375  C  CA  . ASP   A 1 42  ? 15.529 -24.622 -19.264 1.00 32.95  ? 42  ASP   A CA  1 
ATOM   376  C  C   . ASP   A 1 42  ? 14.675 -24.533 -18.007 1.00 36.12  ? 42  ASP   A C   1 
ATOM   377  O  O   . ASP   A 1 42  ? 13.670 -23.815 -18.005 1.00 47.82  ? 42  ASP   A O   1 
ATOM   378  C  CB  . ASP   A 1 42  ? 14.888 -25.609 -20.242 1.00 35.04  ? 42  ASP   A CB  1 
ATOM   379  C  CG  . ASP   A 1 42  ? 15.599 -25.649 -21.581 1.00 40.07  ? 42  ASP   A CG  1 
ATOM   380  O  OD1 . ASP   A 1 42  ? 16.086 -24.590 -22.027 1.00 39.14  ? 42  ASP   A OD1 1 
ATOM   381  O  OD2 . ASP   A 1 42  ? 15.668 -26.738 -22.187 1.00 48.07  ? 42  ASP   A OD2 1 
ATOM   382  N  N   . VAL   A 1 43  ? 15.053 -25.243 -16.949 1.00 25.51  ? 43  VAL   A N   1 
ATOM   383  C  CA  . VAL   A 1 43  ? 14.324 -25.230 -15.688 1.00 23.61  ? 43  VAL   A CA  1 
ATOM   384  C  C   . VAL   A 1 43  ? 14.971 -24.296 -14.672 1.00 28.22  ? 43  VAL   A C   1 
ATOM   385  O  O   . VAL   A 1 43  ? 14.275 -23.582 -13.948 1.00 25.66  ? 43  VAL   A O   1 
ATOM   386  C  CB  . VAL   A 1 43  ? 14.221 -26.667 -15.132 1.00 27.07  ? 43  VAL   A CB  1 
ATOM   387  C  CG1 . VAL   A 1 43  ? 13.448 -26.685 -13.820 1.00 27.26  ? 43  VAL   A CG1 1 
ATOM   388  C  CG2 . VAL   A 1 43  ? 13.580 -27.593 -16.157 1.00 26.19  ? 43  VAL   A CG2 1 
ATOM   389  N  N   . ILE   A 1 44  ? 16.300 -24.292 -14.606 1.00 29.02  ? 44  ILE   A N   1 
ATOM   390  C  CA  . ILE   A 1 44  ? 17.044 -23.529 -13.610 1.00 21.79  ? 44  ILE   A CA  1 
ATOM   391  C  C   . ILE   A 1 44  ? 17.550 -22.263 -14.292 1.00 24.52  ? 44  ILE   A C   1 
ATOM   392  O  O   . ILE   A 1 44  ? 18.512 -22.298 -15.066 1.00 26.03  ? 44  ILE   A O   1 
ATOM   393  C  CB  . ILE   A 1 44  ? 18.189 -24.348 -13.009 1.00 22.39  ? 44  ILE   A CB  1 
ATOM   394  C  CG1 . ILE   A 1 44  ? 17.644 -25.595 -12.309 1.00 20.57  ? 44  ILE   A CG1 1 
ATOM   395  C  CG2 . ILE   A 1 44  ? 18.994 -23.500 -12.039 1.00 24.64  ? 44  ILE   A CG2 1 
ATOM   396  C  CD1 . ILE   A 1 44  ? 16.487 -25.311 -11.355 1.00 23.83  ? 44  ILE   A CD1 1 
ATOM   397  N  N   . LYS   A 1 45  ? 16.905 -21.135 -13.998 1.00 25.45  ? 45  LYS   A N   1 
ATOM   398  C  CA  . LYS   A 1 45  ? 17.262 -19.867 -14.618 1.00 25.24  ? 45  LYS   A CA  1 
ATOM   399  C  C   . LYS   A 1 45  ? 18.327 -19.100 -13.846 1.00 31.09  ? 45  LYS   A C   1 
ATOM   400  O  O   . LYS   A 1 45  ? 18.993 -18.237 -14.429 1.00 31.96  ? 45  LYS   A O   1 
ATOM   401  C  CB  . LYS   A 1 45  ? 16.013 -18.995 -14.783 1.00 26.45  ? 45  LYS   A CB  1 
ATOM   402  C  CG  . LYS   A 1 45  ? 15.010 -19.578 -15.764 1.00 42.41  ? 45  LYS   A CG  1 
ATOM   403  C  CD  . LYS   A 1 45  ? 15.690 -19.903 -17.086 1.00 50.99  ? 45  LYS   A CD  1 
ATOM   404  C  CE  . LYS   A 1 45  ? 14.771 -20.664 -18.026 1.00 59.50  ? 45  LYS   A CE  1 
ATOM   405  N  NZ  . LYS   A 1 45  ? 15.478 -21.031 -19.287 1.00 53.75  ? 45  LYS   A NZ  1 
ATOM   406  N  N   . ASN   A 1 46  ? 18.519 -19.397 -12.560 1.00 24.82  ? 46  ASN   A N   1 
ATOM   407  C  CA  . ASN   A 1 46  ? 19.548 -18.753 -11.744 1.00 23.48  ? 46  ASN   A CA  1 
ATOM   408  C  C   . ASN   A 1 46  ? 20.433 -19.829 -11.126 1.00 23.08  ? 46  ASN   A C   1 
ATOM   409  O  O   . ASN   A 1 46  ? 20.329 -20.119 -9.924  1.00 27.08  ? 46  ASN   A O   1 
ATOM   410  C  CB  . ASN   A 1 46  ? 18.924 -17.867 -10.668 1.00 28.48  ? 46  ASN   A CB  1 
ATOM   411  C  CG  . ASN   A 1 46  ? 18.139 -16.711 -11.254 1.00 42.06  ? 46  ASN   A CG  1 
ATOM   412  O  OD1 . ASN   A 1 46  ? 18.701 -15.836 -11.910 1.00 41.58  ? 46  ASN   A OD1 1 
ATOM   413  N  ND2 . ASN   A 1 46  ? 16.833 -16.701 -11.016 1.00 41.52  ? 46  ASN   A ND2 1 
ATOM   414  N  N   . PRO   A 1 47  ? 21.323 -20.433 -11.909 1.00 25.05  ? 47  PRO   A N   1 
ATOM   415  C  CA  . PRO   A 1 47  ? 22.166 -21.510 -11.377 1.00 27.86  ? 47  PRO   A CA  1 
ATOM   416  C  C   . PRO   A 1 47  ? 23.184 -20.985 -10.373 1.00 30.59  ? 47  PRO   A C   1 
ATOM   417  O  O   . PRO   A 1 47  ? 23.571 -19.815 -10.388 1.00 24.74  ? 47  PRO   A O   1 
ATOM   418  C  CB  . PRO   A 1 47  ? 22.855 -22.072 -12.625 1.00 28.43  ? 47  PRO   A CB  1 
ATOM   419  C  CG  . PRO   A 1 47  ? 22.869 -20.930 -13.586 1.00 28.14  ? 47  PRO   A CG  1 
ATOM   420  C  CD  . PRO   A 1 47  ? 21.591 -20.172 -13.334 1.00 25.68  ? 47  PRO   A CD  1 
ATOM   421  N  N   . MET   A 1 48  ? 23.618 -21.882 -9.489  1.00 21.19  ? 48  MET   A N   1 
ATOM   422  C  CA  . MET   A 1 48  ? 24.548 -21.521 -8.426  1.00 22.04  ? 48  MET   A CA  1 
ATOM   423  C  C   . MET   A 1 48  ? 25.249 -22.780 -7.937  1.00 24.84  ? 48  MET   A C   1 
ATOM   424  O  O   . MET   A 1 48  ? 24.659 -23.863 -7.915  1.00 23.66  ? 48  MET   A O   1 
ATOM   425  C  CB  . MET   A 1 48  ? 23.821 -20.821 -7.269  1.00 21.41  ? 48  MET   A CB  1 
ATOM   426  C  CG  . MET   A 1 48  ? 24.730 -20.217 -6.203  1.00 23.45  ? 48  MET   A CG  1 
ATOM   427  S  SD  . MET   A 1 48  ? 25.774 -18.890 -6.839  1.00 27.29  ? 48  MET   A SD  1 
ATOM   428  C  CE  . MET   A 1 48  ? 24.549 -17.751 -7.473  1.00 26.39  ? 48  MET   A CE  1 
ATOM   429  N  N   . SER   A 1 49  ? 26.514 -22.623 -7.545  1.00 23.50  ? 49  SER   A N   1 
ATOM   430  C  CA  . SER   A 1 49  ? 27.325 -23.723 -7.042  1.00 23.00  ? 49  SER   A CA  1 
ATOM   431  C  C   . SER   A 1 49  ? 28.208 -23.214 -5.908  1.00 25.01  ? 49  SER   A C   1 
ATOM   432  O  O   . SER   A 1 49  ? 28.381 -22.006 -5.722  1.00 26.13  ? 49  SER   A O   1 
ATOM   433  C  CB  . SER   A 1 49  ? 28.187 -24.337 -8.151  1.00 23.71  ? 49  SER   A CB  1 
ATOM   434  O  OG  . SER   A 1 49  ? 29.223 -23.449 -8.536  1.00 28.93  ? 49  SER   A OG  1 
ATOM   435  N  N   . PHE   A 1 50  ? 28.778 -24.157 -5.149  1.00 23.79  ? 50  PHE   A N   1 
ATOM   436  C  CA  . PHE   A 1 50  ? 29.681 -23.786 -4.060  1.00 28.21  ? 50  PHE   A CA  1 
ATOM   437  C  C   . PHE   A 1 50  ? 30.855 -22.959 -4.572  1.00 27.48  ? 50  PHE   A C   1 
ATOM   438  O  O   . PHE   A 1 50  ? 31.291 -22.007 -3.912  1.00 25.13  ? 50  PHE   A O   1 
ATOM   439  C  CB  . PHE   A 1 50  ? 30.196 -25.037 -3.341  1.00 23.33  ? 50  PHE   A CB  1 
ATOM   440  C  CG  . PHE   A 1 50  ? 29.145 -25.787 -2.562  1.00 24.06  ? 50  PHE   A CG  1 
ATOM   441  C  CD1 . PHE   A 1 50  ? 27.945 -25.190 -2.224  1.00 25.90  ? 50  PHE   A CD1 1 
ATOM   442  C  CD2 . PHE   A 1 50  ? 29.371 -27.099 -2.160  1.00 22.80  ? 50  PHE   A CD2 1 
ATOM   443  C  CE1 . PHE   A 1 50  ? 26.980 -25.884 -1.506  1.00 25.19  ? 50  PHE   A CE1 1 
ATOM   444  C  CE2 . PHE   A 1 50  ? 28.418 -27.797 -1.440  1.00 22.12  ? 50  PHE   A CE2 1 
ATOM   445  C  CZ  . PHE   A 1 50  ? 27.217 -27.192 -1.115  1.00 27.92  ? 50  PHE   A CZ  1 
ATOM   446  N  N   . SER   A 1 51  ? 31.381 -23.309 -5.748  1.00 22.07  ? 51  SER   A N   1 
ATOM   447  C  CA  . SER   A 1 51  ? 32.526 -22.581 -6.284  1.00 31.59  ? 51  SER   A CA  1 
ATOM   448  C  C   . SER   A 1 51  ? 32.143 -21.171 -6.716  1.00 32.81  ? 51  SER   A C   1 
ATOM   449  O  O   . SER   A 1 51  ? 32.972 -20.256 -6.636  1.00 28.66  ? 51  SER   A O   1 
ATOM   450  C  CB  . SER   A 1 51  ? 33.152 -23.354 -7.448  1.00 32.36  ? 51  SER   A CB  1 
ATOM   451  O  OG  . SER   A 1 51  ? 32.252 -23.497 -8.533  1.00 28.95  ? 51  SER   A OG  1 
ATOM   452  N  N   . CYS   A 1 52  ? 30.900 -20.971 -7.168  1.00 21.80  ? 52  CYS   A N   1 
ATOM   453  C  CA  . CYS   A 1 52  ? 30.427 -19.614 -7.434  1.00 26.10  ? 52  CYS   A CA  1 
ATOM   454  C  C   . CYS   A 1 52  ? 30.469 -18.770 -6.167  1.00 31.68  ? 52  CYS   A C   1 
ATOM   455  O  O   . CYS   A 1 52  ? 30.938 -17.624 -6.179  1.00 27.41  ? 52  CYS   A O   1 
ATOM   456  C  CB  . CYS   A 1 52  ? 29.003 -19.642 -7.996  1.00 28.41  ? 52  CYS   A CB  1 
ATOM   457  S  SG  . CYS   A 1 52  ? 28.750 -20.545 -9.544  1.00 29.20  ? 52  CYS   A SG  1 
ATOM   458  N  N   . VAL   A 1 53  ? 29.974 -19.327 -5.059  1.00 24.50  ? 53  VAL   A N   1 
ATOM   459  C  CA  . VAL   A 1 53  ? 29.957 -18.603 -3.791  1.00 25.70  ? 53  VAL   A CA  1 
ATOM   460  C  C   . VAL   A 1 53  ? 31.378 -18.348 -3.299  1.00 30.29  ? 53  VAL   A C   1 
ATOM   461  O  O   . VAL   A 1 53  ? 31.695 -17.258 -2.804  1.00 24.25  ? 53  VAL   A O   1 
ATOM   462  C  CB  . VAL   A 1 53  ? 29.124 -19.381 -2.756  1.00 24.40  ? 53  VAL   A CB  1 
ATOM   463  C  CG1 . VAL   A 1 53  ? 29.181 -18.699 -1.400  1.00 23.13  ? 53  VAL   A CG1 1 
ATOM   464  C  CG2 . VAL   A 1 53  ? 27.675 -19.518 -3.231  1.00 22.86  ? 53  VAL   A CG2 1 
ATOM   465  N  N   . LYS   A 1 54  ? 32.257 -19.346 -3.427  1.00 24.75  ? 54  LYS   A N   1 
ATOM   466  C  CA  . LYS   A 1 54  ? 33.652 -19.155 -3.039  1.00 23.04  ? 54  LYS   A CA  1 
ATOM   467  C  C   . LYS   A 1 54  ? 34.299 -18.032 -3.842  1.00 25.67  ? 54  LYS   A C   1 
ATOM   468  O  O   . LYS   A 1 54  ? 35.072 -17.235 -3.296  1.00 25.88  ? 54  LYS   A O   1 
ATOM   469  C  CB  . LYS   A 1 54  ? 34.434 -20.457 -3.217  1.00 24.14  ? 54  LYS   A CB  1 
ATOM   470  C  CG  . LYS   A 1 54  ? 34.123 -21.526 -2.187  1.00 20.72  ? 54  LYS   A CG  1 
ATOM   471  C  CD  . LYS   A 1 54  ? 34.744 -22.856 -2.609  1.00 28.45  ? 54  LYS   A CD  1 
ATOM   472  C  CE  . LYS   A 1 54  ? 34.478 -23.947 -1.593  1.00 26.87  ? 54  LYS   A CE  1 
ATOM   473  N  NZ  . LYS   A 1 54  ? 35.141 -25.226 -1.997  1.00 26.46  ? 54  LYS   A NZ  1 
ATOM   474  N  N   . THR   A 1 55  ? 33.996 -17.952 -5.139  1.00 25.34  ? 55  THR   A N   1 
ATOM   475  C  CA  . THR   A 1 55  ? 34.535 -16.871 -5.961  1.00 26.02  ? 55  THR   A CA  1 
ATOM   476  C  C   . THR   A 1 55  ? 34.010 -15.513 -5.506  1.00 29.02  ? 55  THR   A C   1 
ATOM   477  O  O   . THR   A 1 55  ? 34.775 -14.546 -5.416  1.00 26.73  ? 55  THR   A O   1 
ATOM   478  C  CB  . THR   A 1 55  ? 34.199 -17.118 -7.433  1.00 30.64  ? 55  THR   A CB  1 
ATOM   479  O  OG1 . THR   A 1 55  ? 34.899 -18.281 -7.894  1.00 29.60  ? 55  THR   A OG1 1 
ATOM   480  C  CG2 . THR   A 1 55  ? 34.590 -15.917 -8.292  1.00 31.12  ? 55  THR   A CG2 1 
ATOM   481  N  N   . LYS   A 1 56  ? 32.711 -15.420 -5.209  1.00 23.88  ? 56  LYS   A N   1 
ATOM   482  C  CA  . LYS   A 1 56  ? 32.157 -14.157 -4.727  1.00 24.43  ? 56  LYS   A CA  1 
ATOM   483  C  C   . LYS   A 1 56  ? 32.807 -13.732 -3.416  1.00 29.31  ? 56  LYS   A C   1 
ATOM   484  O  O   . LYS   A 1 56  ? 33.072 -12.541 -3.203  1.00 27.95  ? 56  LYS   A O   1 
ATOM   485  C  CB  . LYS   A 1 56  ? 30.644 -14.277 -4.563  1.00 23.19  ? 56  LYS   A CB  1 
ATOM   486  C  CG  . LYS   A 1 56  ? 29.882 -14.383 -5.871  1.00 24.55  ? 56  LYS   A CG  1 
ATOM   487  C  CD  . LYS   A 1 56  ? 28.391 -14.483 -5.600  1.00 31.81  ? 56  LYS   A CD  1 
ATOM   488  C  CE  . LYS   A 1 56  ? 27.570 -14.147 -6.829  1.00 35.16  ? 56  LYS   A CE  1 
ATOM   489  N  NZ  . LYS   A 1 56  ? 26.148 -13.867 -6.472  1.00 30.15  ? 56  LYS   A NZ  1 
ATOM   490  N  N   . LEU   A 1 57  ? 33.078 -14.691 -2.525  1.00 27.54  ? 57  LEU   A N   1 
ATOM   491  C  CA  . LEU   A 1 57  ? 33.763 -14.373 -1.276  1.00 27.11  ? 57  LEU   A CA  1 
ATOM   492  C  C   . LEU   A 1 57  ? 35.199 -13.933 -1.531  1.00 32.89  ? 57  LEU   A C   1 
ATOM   493  O  O   . LEU   A 1 57  ? 35.683 -12.981 -0.904  1.00 30.23  ? 57  LEU   A O   1 
ATOM   494  C  CB  . LEU   A 1 57  ? 33.731 -15.580 -0.336  1.00 22.46  ? 57  LEU   A CB  1 
ATOM   495  C  CG  . LEU   A 1 57  ? 32.384 -15.937 0.296   1.00 30.05  ? 57  LEU   A CG  1 
ATOM   496  C  CD1 . LEU   A 1 57  ? 32.440 -17.331 0.922   1.00 26.51  ? 57  LEU   A CD1 1 
ATOM   497  C  CD2 . LEU   A 1 57  ? 31.977 -14.900 1.335   1.00 25.19  ? 57  LEU   A CD2 1 
ATOM   498  N  N   . LYS   A 1 58  ? 35.892 -14.612 -2.449  1.00 23.83  ? 58  LYS   A N   1 
ATOM   499  C  CA  . LYS   A 1 58  ? 37.277 -14.263 -2.750  1.00 28.19  ? 58  LYS   A CA  1 
ATOM   500  C  C   . LYS   A 1 58  ? 37.383 -12.874 -3.371  1.00 25.33  ? 58  LYS   A C   1 
ATOM   501  O  O   . LYS   A 1 58  ? 38.296 -12.107 -3.041  1.00 29.84  ? 58  LYS   A O   1 
ATOM   502  C  CB  . LYS   A 1 58  ? 37.884 -15.315 -3.679  1.00 26.19  ? 58  LYS   A CB  1 
ATOM   503  C  CG  . LYS   A 1 58  ? 39.308 -15.021 -4.131  1.00 30.07  ? 58  LYS   A CG  1 
ATOM   504  C  CD  . LYS   A 1 58  ? 39.773 -16.050 -5.157  1.00 37.31  ? 58  LYS   A CD  1 
ATOM   505  C  CE  . LYS   A 1 58  ? 41.191 -15.776 -5.640  1.00 44.35  ? 58  LYS   A CE  1 
ATOM   506  N  NZ  . LYS   A 1 58  ? 41.604 -16.729 -6.712  1.00 39.25  ? 58  LYS   A NZ  1 
ATOM   507  N  N   . LYS   A 1 59  ? 36.462 -12.530 -4.273  1.00 22.64  ? 59  LYS   A N   1 
ATOM   508  C  CA  . LYS   A 1 59  ? 36.523 -11.258 -4.985  1.00 28.33  ? 59  LYS   A CA  1 
ATOM   509  C  C   . LYS   A 1 59  ? 35.922 -10.094 -4.204  1.00 27.87  ? 59  LYS   A C   1 
ATOM   510  O  O   . LYS   A 1 59  ? 36.142 -8.938  -4.585  1.00 25.45  ? 59  LYS   A O   1 
ATOM   511  C  CB  . LYS   A 1 59  ? 35.810 -11.376 -6.336  1.00 26.19  ? 59  LYS   A CB  1 
ATOM   512  C  CG  . LYS   A 1 59  ? 36.326 -12.495 -7.227  1.00 25.45  ? 59  LYS   A CG  1 
ATOM   513  C  CD  . LYS   A 1 59  ? 37.728 -12.226 -7.730  1.00 26.56  ? 59  LYS   A CD  1 
ATOM   514  C  CE  . LYS   A 1 59  ? 38.154 -13.296 -8.729  1.00 29.93  ? 59  LYS   A CE  1 
ATOM   515  N  NZ  . LYS   A 1 59  ? 39.408 -12.941 -9.435  1.00 29.62  ? 59  LYS   A NZ  1 
ATOM   516  N  N   . GLY   A 1 60  ? 35.174 -10.359 -3.134  1.00 26.21  ? 60  GLY   A N   1 
ATOM   517  C  CA  . GLY   A 1 60  ? 34.526 -9.299  -2.388  1.00 32.26  ? 60  GLY   A CA  1 
ATOM   518  C  C   . GLY   A 1 60  ? 33.196 -8.849  -2.949  1.00 37.37  ? 60  GLY   A C   1 
ATOM   519  O  O   . GLY   A 1 60  ? 32.858 -7.664  -2.843  1.00 29.01  ? 60  GLY   A O   1 
ATOM   520  N  N   . GLN   A 1 61  ? 32.418 -9.762  -3.534  1.00 26.06  ? 61  GLN   A N   1 
ATOM   521  C  CA  . GLN   A 1 61  ? 31.176 -9.379  -4.193  1.00 24.93  ? 61  GLN   A CA  1 
ATOM   522  C  C   . GLN   A 1 61  ? 30.010 -9.207  -3.228  1.00 34.70  ? 61  GLN   A C   1 
ATOM   523  O  O   . GLN   A 1 61  ? 29.007 -8.590  -3.600  1.00 39.38  ? 61  GLN   A O   1 
ATOM   524  C  CB  . GLN   A 1 61  ? 30.799 -10.413 -5.256  1.00 27.76  ? 61  GLN   A CB  1 
ATOM   525  C  CG  . GLN   A 1 61  ? 31.816 -10.554 -6.371  1.00 33.25  ? 61  GLN   A CG  1 
ATOM   526  C  CD  . GLN   A 1 61  ? 31.308 -11.403 -7.520  1.00 32.24  ? 61  GLN   A CD  1 
ATOM   527  O  OE1 . GLN   A 1 61  ? 30.131 -11.343 -7.878  1.00 31.80  ? 61  GLN   A OE1 1 
ATOM   528  N  NE2 . GLN   A 1 61  ? 32.193 -12.205 -8.099  1.00 42.41  ? 61  GLN   A NE2 1 
ATOM   529  N  N   . TYR   A 1 62  ? 30.110 -9.731  -2.010  1.00 27.95  ? 62  TYR   A N   1 
ATOM   530  C  CA  . TYR   A 1 62  ? 29.032 -9.615  -1.036  1.00 26.57  ? 62  TYR   A CA  1 
ATOM   531  C  C   . TYR   A 1 62  ? 29.177 -8.338  -0.216  1.00 26.50  ? 62  TYR   A C   1 
ATOM   532  O  O   . TYR   A 1 62  ? 30.267 -8.011  0.261   1.00 32.23  ? 62  TYR   A O   1 
ATOM   533  C  CB  . TYR   A 1 62  ? 29.018 -10.825 -0.103  1.00 28.09  ? 62  TYR   A CB  1 
ATOM   534  C  CG  . TYR   A 1 62  ? 28.620 -12.126 -0.766  1.00 26.40  ? 62  TYR   A CG  1 
ATOM   535  C  CD1 . TYR   A 1 62  ? 27.523 -12.194 -1.619  1.00 26.48  ? 62  TYR   A CD1 1 
ATOM   536  C  CD2 . TYR   A 1 62  ? 29.344 -13.288 -0.537  1.00 28.13  ? 62  TYR   A CD2 1 
ATOM   537  C  CE1 . TYR   A 1 62  ? 27.157 -13.395 -2.223  1.00 28.12  ? 62  TYR   A CE1 1 
ATOM   538  C  CE2 . TYR   A 1 62  ? 28.992 -14.485 -1.137  1.00 28.22  ? 62  TYR   A CE2 1 
ATOM   539  C  CZ  . TYR   A 1 62  ? 27.899 -14.535 -1.977  1.00 29.03  ? 62  TYR   A CZ  1 
ATOM   540  O  OH  . TYR   A 1 62  ? 27.558 -15.733 -2.569  1.00 26.66  ? 62  TYR   A OH  1 
ATOM   541  N  N   . GLY   A 1 63  ? 28.065 -7.629  -0.042  1.00 31.67  ? 63  GLY   A N   1 
ATOM   542  C  CA  . GLY   A 1 63  ? 28.059 -6.435  0.779   1.00 36.53  ? 63  GLY   A CA  1 
ATOM   543  C  C   . GLY   A 1 63  ? 27.346 -6.635  2.101   1.00 38.76  ? 63  GLY   A C   1 
ATOM   544  O  O   . GLY   A 1 63  ? 27.587 -5.903  3.066   1.00 32.05  ? 63  GLY   A O   1 
ATOM   545  N  N   . LEU   A 1 64  ? 26.465 -7.633  2.158   1.00 28.65  ? 64  LEU   A N   1 
ATOM   546  C  CA  . LEU   A 1 64  ? 25.676 -7.933  3.341   1.00 24.46  ? 64  LEU   A CA  1 
ATOM   547  C  C   . LEU   A 1 64  ? 25.736 -9.426  3.631   1.00 27.63  ? 64  LEU   A C   1 
ATOM   548  O  O   . LEU   A 1 64  ? 25.766 -10.236 2.698   1.00 28.99  ? 64  LEU   A O   1 
ATOM   549  C  CB  . LEU   A 1 64  ? 24.213 -7.504  3.149   1.00 31.73  ? 64  LEU   A CB  1 
ATOM   550  C  CG  . LEU   A 1 64  ? 23.948 -6.015  2.912   1.00 37.38  ? 64  LEU   A CG  1 
ATOM   551  C  CD1 . LEU   A 1 64  ? 22.526 -5.797  2.413   1.00 44.07  ? 64  LEU   A CD1 1 
ATOM   552  C  CD2 . LEU   A 1 64  ? 24.204 -5.220  4.184   1.00 43.36  ? 64  LEU   A CD2 1 
ATOM   553  N  N   . PRO   A 1 65  ? 25.750 -9.820  4.906   1.00 30.77  ? 65  PRO   A N   1 
ATOM   554  C  CA  . PRO   A 1 65  ? 25.851 -11.254 5.222   1.00 28.94  ? 65  PRO   A CA  1 
ATOM   555  C  C   . PRO   A 1 65  ? 24.698 -12.082 4.682   1.00 29.34  ? 65  PRO   A C   1 
ATOM   556  O  O   . PRO   A 1 65  ? 24.889 -13.272 4.404   1.00 29.50  ? 65  PRO   A O   1 
ATOM   557  C  CB  . PRO   A 1 65  ? 25.896 -11.274 6.758   1.00 29.45  ? 65  PRO   A CB  1 
ATOM   558  C  CG  . PRO   A 1 65  ? 25.359 -9.951  7.185   1.00 36.48  ? 65  PRO   A CG  1 
ATOM   559  C  CD  . PRO   A 1 65  ? 25.763 -8.984  6.116   1.00 29.95  ? 65  PRO   A CD  1 
ATOM   560  N  N   . THR   A 1 66  ? 23.510 -11.492 4.517   1.00 31.68  ? 66  THR   A N   1 
ATOM   561  C  CA  . THR   A 1 66  ? 22.377 -12.240 3.980   1.00 24.36  ? 66  THR   A CA  1 
ATOM   562  C  C   . THR   A 1 66  ? 22.563 -12.614 2.516   1.00 27.46  ? 66  THR   A C   1 
ATOM   563  O  O   . THR   A 1 66  ? 21.926 -13.566 2.051   1.00 25.34  ? 66  THR   A O   1 
ATOM   564  C  CB  . THR   A 1 66  ? 21.081 -11.439 4.127   1.00 32.19  ? 66  THR   A CB  1 
ATOM   565  O  OG1 . THR   A 1 66  ? 21.297 -10.094 3.682   1.00 44.98  ? 66  THR   A OG1 1 
ATOM   566  C  CG2 . THR   A 1 66  ? 20.621 -11.427 5.571   1.00 35.93  ? 66  THR   A CG2 1 
ATOM   567  N  N   . GLU   A 1 67  ? 23.400 -11.882 1.777   1.00 25.83  ? 67  GLU   A N   1 
ATOM   568  C  CA  . GLU   A 1 67  ? 23.618 -12.214 0.372   1.00 27.05  ? 67  GLU   A CA  1 
ATOM   569  C  C   . GLU   A 1 67  ? 24.305 -13.566 0.228   1.00 27.61  ? 67  GLU   A C   1 
ATOM   570  O  O   . GLU   A 1 67  ? 24.014 -14.321 -0.708  1.00 30.09  ? 67  GLU   A O   1 
ATOM   571  C  CB  . GLU   A 1 67  ? 24.430 -11.111 -0.306  1.00 27.99  ? 67  GLU   A CB  1 
ATOM   572  C  CG  . GLU   A 1 67  ? 23.680 -9.781  -0.400  1.00 24.34  ? 67  GLU   A CG  1 
ATOM   573  C  CD  . GLU   A 1 67  ? 24.570 -8.628  -0.831  1.00 36.77  ? 67  GLU   A CD  1 
ATOM   574  O  OE1 . GLU   A 1 67  ? 25.789 -8.836  -0.999  1.00 37.17  ? 67  GLU   A OE1 1 
ATOM   575  O  OE2 . GLU   A 1 67  ? 24.045 -7.508  -0.997  1.00 39.38  ? 67  GLU   A OE2 1 
ATOM   576  N  N   . PHE   A 1 68  ? 25.223 -13.883 1.142   1.00 24.50  ? 68  PHE   A N   1 
ATOM   577  C  CA  . PHE   A 1 68  ? 25.844 -15.203 1.162   1.00 24.74  ? 68  PHE   A CA  1 
ATOM   578  C  C   . PHE   A 1 68  ? 24.795 -16.290 1.368   1.00 28.02  ? 68  PHE   A C   1 
ATOM   579  O  O   . PHE   A 1 68  ? 24.762 -17.283 0.632   1.00 26.61  ? 68  PHE   A O   1 
ATOM   580  C  CB  . PHE   A 1 68  ? 26.914 -15.242 2.259   1.00 27.47  ? 68  PHE   A CB  1 
ATOM   581  C  CG  . PHE   A 1 68  ? 27.386 -16.626 2.624   1.00 28.63  ? 68  PHE   A CG  1 
ATOM   582  C  CD1 . PHE   A 1 68  ? 28.247 -17.327 1.793   1.00 23.19  ? 68  PHE   A CD1 1 
ATOM   583  C  CD2 . PHE   A 1 68  ? 27.003 -17.207 3.825   1.00 27.89  ? 68  PHE   A CD2 1 
ATOM   584  C  CE1 . PHE   A 1 68  ? 28.697 -18.593 2.142   1.00 22.84  ? 68  PHE   A CE1 1 
ATOM   585  C  CE2 . PHE   A 1 68  ? 27.452 -18.470 4.178   1.00 28.93  ? 68  PHE   A CE2 1 
ATOM   586  C  CZ  . PHE   A 1 68  ? 28.298 -19.163 3.333   1.00 25.93  ? 68  PHE   A CZ  1 
ATOM   587  N  N   . ILE   A 1 69  ? 23.911 -16.101 2.351   1.00 25.51  ? 69  ILE   A N   1 
ATOM   588  C  CA  . ILE   A 1 69  ? 22.876 -17.094 2.637   1.00 28.80  ? 69  ILE   A CA  1 
ATOM   589  C  C   . ILE   A 1 69  ? 21.961 -17.277 1.433   1.00 31.81  ? 69  ILE   A C   1 
ATOM   590  O  O   . ILE   A 1 69  ? 21.633 -18.405 1.046   1.00 27.37  ? 69  ILE   A O   1 
ATOM   591  C  CB  . ILE   A 1 69  ? 22.074 -16.695 3.890   1.00 24.38  ? 69  ILE   A CB  1 
ATOM   592  C  CG1 . ILE   A 1 69  ? 22.980 -16.649 5.119   1.00 28.01  ? 69  ILE   A CG1 1 
ATOM   593  C  CG2 . ILE   A 1 69  ? 20.927 -17.678 4.121   1.00 31.57  ? 69  ILE   A CG2 1 
ATOM   594  C  CD1 . ILE   A 1 69  ? 22.257 -16.262 6.391   1.00 38.14  ? 69  ILE   A CD1 1 
ATOM   595  N  N   . LYS   A 1 70  ? 21.529 -16.167 0.825   1.00 32.13  ? 70  LYS   A N   1 
ATOM   596  C  CA  . LYS   A 1 70  ? 20.597 -16.256 -0.295  1.00 29.68  ? 70  LYS   A CA  1 
ATOM   597  C  C   . LYS   A 1 70  ? 21.178 -17.075 -1.443  1.00 24.48  ? 70  LYS   A C   1 
ATOM   598  O  O   . LYS   A 1 70  ? 20.457 -17.838 -2.097  1.00 26.05  ? 70  LYS   A O   1 
ATOM   599  C  CB  . LYS   A 1 70  ? 20.208 -14.857 -0.778  1.00 32.12  ? 70  LYS   A CB  1 
ATOM   600  C  CG  . LYS   A 1 70  ? 19.288 -14.103 0.171   1.00 39.82  ? 70  LYS   A CG  1 
ATOM   601  C  CD  . LYS   A 1 70  ? 18.468 -13.052 -0.564  1.00 67.85  ? 70  LYS   A CD  1 
ATOM   602  C  CE  . LYS   A 1 70  ? 17.467 -13.700 -1.514  1.00 100.11 ? 70  LYS   A CE  1 
ATOM   603  N  NZ  . LYS   A 1 70  ? 16.582 -12.701 -2.179  1.00 92.06  ? 70  LYS   A NZ  1 
ATOM   604  N  N   . ASP   A 1 71  ? 22.481 -16.941 -1.696  1.00 23.10  ? 71  ASP   A N   1 
ATOM   605  C  CA  . ASP   A 1 71  ? 23.105 -17.704 -2.773  1.00 23.56  ? 71  ASP   A CA  1 
ATOM   606  C  C   . ASP   A 1 71  ? 23.172 -19.186 -2.431  1.00 24.83  ? 71  ASP   A C   1 
ATOM   607  O  O   . ASP   A 1 71  ? 22.860 -20.039 -3.269  1.00 24.06  ? 71  ASP   A O   1 
ATOM   608  C  CB  . ASP   A 1 71  ? 24.506 -17.166 -3.063  1.00 22.54  ? 71  ASP   A CB  1 
ATOM   609  C  CG  . ASP   A 1 71  ? 24.492 -15.955 -3.975  1.00 29.75  ? 71  ASP   A CG  1 
ATOM   610  O  OD1 . ASP   A 1 71  ? 23.405 -15.576 -4.459  1.00 29.04  ? 71  ASP   A OD1 1 
ATOM   611  O  OD2 . ASP   A 1 71  ? 25.574 -15.386 -4.209  1.00 26.41  ? 71  ASP   A OD2 1 
ATOM   612  N  N   . VAL   A 1 72  ? 23.599 -19.513 -1.208  1.00 24.06  ? 72  VAL   A N   1 
ATOM   613  C  CA  . VAL   A 1 72  ? 23.674 -20.915 -0.802  1.00 26.84  ? 72  VAL   A CA  1 
ATOM   614  C  C   . VAL   A 1 72  ? 22.286 -21.546 -0.820  1.00 28.27  ? 72  VAL   A C   1 
ATOM   615  O  O   . VAL   A 1 72  ? 22.100 -22.660 -1.320  1.00 26.17  ? 72  VAL   A O   1 
ATOM   616  C  CB  . VAL   A 1 72  ? 24.340 -21.048 0.579   1.00 27.38  ? 72  VAL   A CB  1 
ATOM   617  C  CG1 . VAL   A 1 72  ? 24.282 -22.499 1.055   1.00 29.32  ? 72  VAL   A CG1 1 
ATOM   618  C  CG2 . VAL   A 1 72  ? 25.784 -20.559 0.526   1.00 19.94  ? 72  VAL   A CG2 1 
ATOM   619  N  N   . GLN   A 1 73  ? 21.287 -20.836 -0.285  1.00 22.92  ? 73  GLN   A N   1 
ATOM   620  C  CA  . GLN   A 1 73  ? 19.922 -21.356 -0.317  1.00 24.46  ? 73  GLN   A CA  1 
ATOM   621  C  C   . GLN   A 1 73  ? 19.429 -21.548 -1.747  1.00 25.91  ? 73  GLN   A C   1 
ATOM   622  O  O   . GLN   A 1 73  ? 18.648 -22.468 -2.016  1.00 30.58  ? 73  GLN   A O   1 
ATOM   623  C  CB  . GLN   A 1 73  ? 18.979 -20.422 0.445   1.00 24.42  ? 73  GLN   A CB  1 
ATOM   624  C  CG  . GLN   A 1 73  ? 17.560 -20.956 0.562   1.00 31.24  ? 73  GLN   A CG  1 
ATOM   625  C  CD  . GLN   A 1 73  ? 17.511 -22.329 1.209   1.00 35.81  ? 73  GLN   A CD  1 
ATOM   626  O  OE1 . GLN   A 1 73  ? 18.146 -22.568 2.235   1.00 31.29  ? 73  GLN   A OE1 1 
ATOM   627  N  NE2 . GLN   A 1 73  ? 16.762 -23.243 0.602   1.00 29.93  ? 73  GLN   A NE2 1 
ATOM   628  N  N   . LEU   A 1 74  ? 19.877 -20.695 -2.672  1.00 22.44  ? 74  LEU   A N   1 
ATOM   629  C  CA  . LEU   A 1 74  ? 19.508 -20.844 -4.077  1.00 22.66  ? 74  LEU   A CA  1 
ATOM   630  C  C   . LEU   A 1 74  ? 20.002 -22.171 -4.643  1.00 24.69  ? 74  LEU   A C   1 
ATOM   631  O  O   . LEU   A 1 74  ? 19.323 -22.794 -5.469  1.00 24.88  ? 74  LEU   A O   1 
ATOM   632  C  CB  . LEU   A 1 74  ? 20.064 -19.668 -4.884  1.00 25.15  ? 74  LEU   A CB  1 
ATOM   633  C  CG  . LEU   A 1 74  ? 19.968 -19.731 -6.409  1.00 27.96  ? 74  LEU   A CG  1 
ATOM   634  C  CD1 . LEU   A 1 74  ? 18.513 -19.831 -6.864  1.00 25.16  ? 74  LEU   A CD1 1 
ATOM   635  C  CD2 . LEU   A 1 74  ? 20.656 -18.513 -7.028  1.00 26.94  ? 74  LEU   A CD2 1 
ATOM   636  N  N   . ILE   A 1 75  ? 21.185 -22.620 -4.214  1.00 22.24  ? 75  ILE   A N   1 
ATOM   637  C  CA  . ILE   A 1 75  ? 21.672 -23.937 -4.622  1.00 20.38  ? 75  ILE   A CA  1 
ATOM   638  C  C   . ILE   A 1 75  ? 20.659 -25.013 -4.252  1.00 23.60  ? 75  ILE   A C   1 
ATOM   639  O  O   . ILE   A 1 75  ? 20.299 -25.867 -5.072  1.00 24.60  ? 75  ILE   A O   1 
ATOM   640  C  CB  . ILE   A 1 75  ? 23.043 -24.225 -3.984  1.00 20.00  ? 75  ILE   A CB  1 
ATOM   641  C  CG1 . ILE   A 1 75  ? 24.060 -23.152 -4.368  1.00 22.44  ? 75  ILE   A CG1 1 
ATOM   642  C  CG2 . ILE   A 1 75  ? 23.551 -25.606 -4.393  1.00 22.24  ? 75  ILE   A CG2 1 
ATOM   643  C  CD1 . ILE   A 1 75  ? 25.395 -23.346 -3.693  1.00 23.48  ? 75  ILE   A CD1 1 
ATOM   644  N  N   . PHE   A 1 76  ? 20.173 -24.978 -3.011  1.00 22.92  ? 76  PHE   A N   1 
ATOM   645  C  CA  . PHE   A 1 76  ? 19.265 -26.018 -2.542  1.00 28.19  ? 76  PHE   A CA  1 
ATOM   646  C  C   . PHE   A 1 76  ? 17.869 -25.858 -3.128  1.00 31.58  ? 76  PHE   A C   1 
ATOM   647  O  O   . PHE   A 1 76  ? 17.170 -26.857 -3.344  1.00 25.06  ? 76  PHE   A O   1 
ATOM   648  C  CB  . PHE   A 1 76  ? 19.230 -26.009 -1.014  1.00 26.50  ? 76  PHE   A CB  1 
ATOM   649  C  CG  . PHE   A 1 76  ? 20.587 -26.165 -0.385  1.00 27.38  ? 76  PHE   A CG  1 
ATOM   650  C  CD1 . PHE   A 1 76  ? 21.479 -27.108 -0.868  1.00 28.81  ? 76  PHE   A CD1 1 
ATOM   651  C  CD2 . PHE   A 1 76  ? 20.984 -25.351 0.665   1.00 33.02  ? 76  PHE   A CD2 1 
ATOM   652  C  CE1 . PHE   A 1 76  ? 22.737 -27.255 -0.302  1.00 40.36  ? 76  PHE   A CE1 1 
ATOM   653  C  CE2 . PHE   A 1 76  ? 22.239 -25.492 1.233   1.00 29.14  ? 76  PHE   A CE2 1 
ATOM   654  C  CZ  . PHE   A 1 76  ? 23.116 -26.444 0.748   1.00 34.74  ? 76  PHE   A CZ  1 
ATOM   655  N  N   . ASP   A 1 77  ? 17.445 -24.621 -3.396  1.00 22.54  ? 77  ASP   A N   1 
ATOM   656  C  CA  . ASP   A 1 77  ? 16.152 -24.416 -4.042  1.00 19.23  ? 77  ASP   A CA  1 
ATOM   657  C  C   . ASP   A 1 77  ? 16.174 -24.904 -5.486  1.00 25.43  ? 77  ASP   A C   1 
ATOM   658  O  O   . ASP   A 1 77  ? 15.199 -25.505 -5.959  1.00 24.53  ? 77  ASP   A O   1 
ATOM   659  C  CB  . ASP   A 1 77  ? 15.756 -22.941 -3.976  1.00 26.13  ? 77  ASP   A CB  1 
ATOM   660  C  CG  . ASP   A 1 77  ? 15.369 -22.504 -2.577  1.00 36.17  ? 77  ASP   A CG  1 
ATOM   661  O  OD1 . ASP   A 1 77  ? 15.195 -23.381 -1.705  1.00 30.59  ? 77  ASP   A OD1 1 
ATOM   662  O  OD2 . ASP   A 1 77  ? 15.243 -21.284 -2.348  1.00 34.08  ? 77  ASP   A OD2 1 
ATOM   663  N  N   . ASN   A 1 78  ? 17.274 -24.653 -6.202  1.00 22.58  ? 78  ASN   A N   1 
ATOM   664  C  CA  . ASN   A 1 78  ? 17.428 -25.212 -7.543  1.00 25.76  ? 78  ASN   A CA  1 
ATOM   665  C  C   . ASN   A 1 78  ? 17.402 -26.731 -7.504  1.00 25.31  ? 78  ASN   A C   1 
ATOM   666  O  O   . ASN   A 1 78  ? 16.777 -27.374 -8.357  1.00 23.92  ? 78  ASN   A O   1 
ATOM   667  C  CB  . ASN   A 1 78  ? 18.736 -24.731 -8.175  1.00 20.82  ? 78  ASN   A CB  1 
ATOM   668  C  CG  . ASN   A 1 78  ? 18.694 -23.270 -8.567  1.00 25.53  ? 78  ASN   A CG  1 
ATOM   669  O  OD1 . ASN   A 1 78  ? 17.624 -22.686 -8.702  1.00 22.43  ? 78  ASN   A OD1 1 
ATOM   670  N  ND2 . ASN   A 1 78  ? 19.866 -22.677 -8.767  1.00 24.46  ? 78  ASN   A ND2 1 
ATOM   671  N  N   . CYS   A 1 79  ? 18.082 -27.319 -6.520  1.00 22.98  ? 79  CYS   A N   1 
ATOM   672  C  CA  . CYS   A 1 79  ? 18.131 -28.773 -6.403  1.00 17.01  ? 79  CYS   A CA  1 
ATOM   673  C  C   . CYS   A 1 79  ? 16.734 -29.360 -6.228  1.00 24.46  ? 79  CYS   A C   1 
ATOM   674  O  O   . CYS   A 1 79  ? 16.348 -30.302 -6.930  1.00 26.52  ? 79  CYS   A O   1 
ATOM   675  C  CB  . CYS   A 1 79  ? 19.035 -29.163 -5.234  1.00 19.91  ? 79  CYS   A CB  1 
ATOM   676  S  SG  . CYS   A 1 79  ? 19.145 -30.948 -4.962  1.00 24.31  ? 79  CYS   A SG  1 
ATOM   677  N  N   . SER   A 1 80  ? 15.955 -28.806 -5.298  1.00 25.50  ? 80  SER   A N   1 
ATOM   678  C  CA  . SER   A 1 80  ? 14.618 -29.335 -5.053  1.00 24.57  ? 80  SER   A CA  1 
ATOM   679  C  C   . SER   A 1 80  ? 13.673 -29.055 -6.217  1.00 25.24  ? 80  SER   A C   1 
ATOM   680  O  O   . SER   A 1 80  ? 12.745 -29.837 -6.458  1.00 30.60  ? 80  SER   A O   1 
ATOM   681  C  CB  . SER   A 1 80  ? 14.061 -28.755 -3.753  1.00 29.91  ? 80  SER   A CB  1 
ATOM   682  O  OG  . SER   A 1 80  ? 13.962 -27.348 -3.836  1.00 43.55  ? 80  SER   A OG  1 
ATOM   683  N  N   . LEU   A 1 81  ? 13.887 -27.960 -6.952  1.00 25.27  ? 81  LEU   A N   1 
ATOM   684  C  CA  . LEU   A 1 81  ? 13.030 -27.662 -8.096  1.00 25.15  ? 81  LEU   A CA  1 
ATOM   685  C  C   . LEU   A 1 81  ? 13.270 -28.640 -9.239  1.00 30.70  ? 81  LEU   A C   1 
ATOM   686  O  O   . LEU   A 1 81  ? 12.318 -29.184 -9.811  1.00 25.14  ? 81  LEU   A O   1 
ATOM   687  C  CB  . LEU   A 1 81  ? 13.254 -26.223 -8.567  1.00 30.20  ? 81  LEU   A CB  1 
ATOM   688  C  CG  . LEU   A 1 81  ? 12.522 -25.832 -9.855  1.00 28.11  ? 81  LEU   A CG  1 
ATOM   689  C  CD1 . LEU   A 1 81  ? 11.010 -25.988 -9.696  1.00 27.03  ? 81  LEU   A CD1 1 
ATOM   690  C  CD2 . LEU   A 1 81  ? 12.874 -24.408 -10.273 1.00 26.21  ? 81  LEU   A CD2 1 
ATOM   691  N  N   . TYR   A 1 82  ? 14.536 -28.880 -9.591  1.00 23.41  ? 82  TYR   A N   1 
ATOM   692  C  CA  . TYR   A 1 82  ? 14.806 -29.726 -10.750 1.00 26.32  ? 82  TYR   A CA  1 
ATOM   693  C  C   . TYR   A 1 82  ? 14.613 -31.204 -10.433 1.00 24.81  ? 82  TYR   A C   1 
ATOM   694  O  O   . TYR   A 1 82  ? 14.094 -31.955 -11.265 1.00 24.82  ? 82  TYR   A O   1 
ATOM   695  C  CB  . TYR   A 1 82  ? 16.219 -29.493 -11.282 1.00 25.37  ? 82  TYR   A CB  1 
ATOM   696  C  CG  . TYR   A 1 82  ? 16.479 -30.281 -12.544 1.00 20.89  ? 82  TYR   A CG  1 
ATOM   697  C  CD1 . TYR   A 1 82  ? 16.043 -29.814 -13.774 1.00 28.08  ? 82  TYR   A CD1 1 
ATOM   698  C  CD2 . TYR   A 1 82  ? 17.129 -31.509 -12.502 1.00 24.37  ? 82  TYR   A CD2 1 
ATOM   699  C  CE1 . TYR   A 1 82  ? 16.265 -30.533 -14.933 1.00 25.32  ? 82  TYR   A CE1 1 
ATOM   700  C  CE2 . TYR   A 1 82  ? 17.359 -32.236 -13.658 1.00 29.02  ? 82  TYR   A CE2 1 
ATOM   701  C  CZ  . TYR   A 1 82  ? 16.922 -31.741 -14.869 1.00 26.75  ? 82  TYR   A CZ  1 
ATOM   702  O  OH  . TYR   A 1 82  ? 17.134 -32.458 -16.025 1.00 29.55  ? 82  TYR   A OH  1 
ATOM   703  N  N   . ASN   A 1 83  ? 15.038 -31.646 -9.252  1.00 23.26  ? 83  ASN   A N   1 
ATOM   704  C  CA  . ASN   A 1 83  ? 15.103 -33.065 -8.936  1.00 23.93  ? 83  ASN   A CA  1 
ATOM   705  C  C   . ASN   A 1 83  ? 13.857 -33.528 -8.192  1.00 27.25  ? 83  ASN   A C   1 
ATOM   706  O  O   . ASN   A 1 83  ? 13.358 -32.840 -7.297  1.00 26.60  ? 83  ASN   A O   1 
ATOM   707  C  CB  . ASN   A 1 83  ? 16.355 -33.367 -8.113  1.00 24.93  ? 83  ASN   A CB  1 
ATOM   708  C  CG  . ASN   A 1 83  ? 17.619 -33.004 -8.852  1.00 25.32  ? 83  ASN   A CG  1 
ATOM   709  O  OD1 . ASN   A 1 83  ? 18.071 -33.747 -9.721  1.00 24.07  ? 83  ASN   A OD1 1 
ATOM   710  N  ND2 . ASN   A 1 83  ? 18.182 -31.840 -8.536  1.00 22.24  ? 83  ASN   A ND2 1 
ATOM   711  N  N   . THR   A 1 84  ? 13.364 -34.705 -8.567  1.00 26.23  ? 84  THR   A N   1 
ATOM   712  C  CA  . THR   A 1 84  ? 12.183 -35.270 -7.929  1.00 27.88  ? 84  THR   A CA  1 
ATOM   713  C  C   . THR   A 1 84  ? 12.473 -35.604 -6.472  1.00 22.97  ? 84  THR   A C   1 
ATOM   714  O  O   . THR   A 1 84  ? 13.548 -36.107 -6.139  1.00 25.15  ? 84  THR   A O   1 
ATOM   715  C  CB  . THR   A 1 84  ? 11.741 -36.524 -8.680  1.00 30.46  ? 84  THR   A CB  1 
ATOM   716  O  OG1 . THR   A 1 84  ? 11.495 -36.189 -10.051 1.00 31.95  ? 84  THR   A OG1 1 
ATOM   717  C  CG2 . THR   A 1 84  ? 10.477 -37.112 -8.065  1.00 36.97  ? 84  THR   A CG2 1 
ATOM   718  N  N   . SER   A 1 85  ? 11.513 -35.306 -5.597  1.00 28.24  ? 85  SER   A N   1 
ATOM   719  C  CA  A SER   A 1 85  ? 11.675 -35.623 -4.185  0.23 34.24  ? 85  SER   A CA  1 
ATOM   720  C  CA  B SER   A 1 85  ? 11.677 -35.623 -4.185  0.77 34.34  ? 85  SER   A CA  1 
ATOM   721  C  C   . SER   A 1 85  ? 11.938 -37.113 -4.006  1.00 33.37  ? 85  SER   A C   1 
ATOM   722  O  O   . SER   A 1 85  ? 11.310 -37.955 -4.652  1.00 34.90  ? 85  SER   A O   1 
ATOM   723  C  CB  A SER   A 1 85  ? 10.430 -35.205 -3.404  0.23 30.94  ? 85  SER   A CB  1 
ATOM   724  C  CB  B SER   A 1 85  ? 10.437 -35.204 -3.395  0.77 30.65  ? 85  SER   A CB  1 
ATOM   725  O  OG  A SER   A 1 85  ? 9.280  -35.860 -3.909  0.23 38.90  ? 85  SER   A OG  1 
ATOM   726  O  OG  B SER   A 1 85  ? 10.241 -33.804 -3.470  0.77 52.66  ? 85  SER   A OG  1 
ATOM   727  N  N   . GLY   A 1 86  ? 12.885 -37.435 -3.129  1.00 30.08  ? 86  GLY   A N   1 
ATOM   728  C  CA  . GLY   A 1 86  ? 13.272 -38.807 -2.903  1.00 29.86  ? 86  GLY   A CA  1 
ATOM   729  C  C   . GLY   A 1 86  ? 14.389 -39.310 -3.792  1.00 32.27  ? 86  GLY   A C   1 
ATOM   730  O  O   . GLY   A 1 86  ? 14.968 -40.360 -3.492  1.00 30.06  ? 86  GLY   A O   1 
ATOM   731  N  N   . SER   A 1 87  ? 14.710 -38.602 -4.873  1.00 26.52  ? 87  SER   A N   1 
ATOM   732  C  CA  . SER   A 1 87  ? 15.846 -38.983 -5.696  1.00 29.21  ? 87  SER   A CA  1 
ATOM   733  C  C   . SER   A 1 87  ? 17.145 -38.789 -4.917  1.00 24.96  ? 87  SER   A C   1 
ATOM   734  O  O   . SER   A 1 87  ? 17.200 -38.056 -3.925  1.00 26.64  ? 87  SER   A O   1 
ATOM   735  C  CB  . SER   A 1 87  ? 15.875 -38.165 -6.988  1.00 32.44  ? 87  SER   A CB  1 
ATOM   736  O  OG  . SER   A 1 87  ? 16.103 -36.793 -6.715  1.00 24.99  ? 87  SER   A OG  1 
ATOM   737  N  N   . LEU   A 1 88  ? 18.202 -39.472 -5.376  1.00 22.39  ? 88  LEU   A N   1 
ATOM   738  C  CA  . LEU   A 1 88  ? 19.494 -39.376 -4.701  1.00 26.68  ? 88  LEU   A CA  1 
ATOM   739  C  C   . LEU   A 1 88  ? 19.952 -37.930 -4.586  1.00 23.68  ? 88  LEU   A C   1 
ATOM   740  O  O   . LEU   A 1 88  ? 20.418 -37.499 -3.524  1.00 22.89  ? 88  LEU   A O   1 
ATOM   741  C  CB  . LEU   A 1 88  ? 20.552 -40.191 -5.445  1.00 32.16  ? 88  LEU   A CB  1 
ATOM   742  C  CG  . LEU   A 1 88  ? 20.725 -41.674 -5.126  1.00 37.87  ? 88  LEU   A CG  1 
ATOM   743  C  CD1 . LEU   A 1 88  ? 22.089 -42.137 -5.619  1.00 29.25  ? 88  LEU   A CD1 1 
ATOM   744  C  CD2 . LEU   A 1 88  ? 20.560 -41.939 -3.637  1.00 32.02  ? 88  LEU   A CD2 1 
ATOM   745  N  N   . VAL   A 1 89  ? 19.826 -37.165 -5.671  1.00 26.71  ? 89  VAL   A N   1 
ATOM   746  C  CA  . VAL   A 1 89  ? 20.287 -35.781 -5.654  1.00 27.06  ? 89  VAL   A CA  1 
ATOM   747  C  C   . VAL   A 1 89  ? 19.429 -34.944 -4.715  1.00 26.72  ? 89  VAL   A C   1 
ATOM   748  O  O   . VAL   A 1 89  ? 19.949 -34.146 -3.924  1.00 26.00  ? 89  VAL   A O   1 
ATOM   749  C  CB  . VAL   A 1 89  ? 20.305 -35.212 -7.086  1.00 22.50  ? 89  VAL   A CB  1 
ATOM   750  C  CG1 . VAL   A 1 89  ? 20.529 -33.699 -7.063  1.00 23.41  ? 89  VAL   A CG1 1 
ATOM   751  C  CG2 . VAL   A 1 89  ? 21.392 -35.892 -7.911  1.00 23.90  ? 89  VAL   A CG2 1 
ATOM   752  N  N   . ALA   A 1 90  ? 18.104 -35.119 -4.773  1.00 21.57  ? 90  ALA   A N   1 
ATOM   753  C  CA  . ALA   A 1 90  ? 17.223 -34.339 -3.910  1.00 25.48  ? 90  ALA   A CA  1 
ATOM   754  C  C   . ALA   A 1 90  ? 17.468 -34.654 -2.440  1.00 33.32  ? 90  ALA   A C   1 
ATOM   755  O  O   . ALA   A 1 90  ? 17.459 -33.751 -1.595  1.00 22.78  ? 90  ALA   A O   1 
ATOM   756  C  CB  . ALA   A 1 90  ? 15.761 -34.590 -4.278  1.00 23.96  ? 90  ALA   A CB  1 
ATOM   757  N  N   . ILE   A 1 91  ? 17.685 -35.931 -2.117  1.00 24.30  ? 91  ILE   A N   1 
ATOM   758  C  CA  . ILE   A 1 91  ? 17.999 -36.316 -0.742  1.00 24.22  ? 91  ILE   A CA  1 
ATOM   759  C  C   . ILE   A 1 91  ? 19.265 -35.614 -0.267  1.00 24.34  ? 91  ILE   A C   1 
ATOM   760  O  O   . ILE   A 1 91  ? 19.324 -35.080 0.849   1.00 25.00  ? 91  ILE   A O   1 
ATOM   761  C  CB  . ILE   A 1 91  ? 18.143 -37.843 -0.633  1.00 27.59  ? 91  ILE   A CB  1 
ATOM   762  C  CG1 . ILE   A 1 91  ? 16.789 -38.533 -0.801  1.00 30.78  ? 91  ILE   A CG1 1 
ATOM   763  C  CG2 . ILE   A 1 91  ? 18.801 -38.217 0.690   1.00 30.83  ? 91  ILE   A CG2 1 
ATOM   764  C  CD1 . ILE   A 1 91  ? 16.920 -40.029 -1.011  1.00 27.36  ? 91  ILE   A CD1 1 
ATOM   765  N  N   . THR   A 1 92  ? 20.302 -35.620 -1.105  1.00 22.30  ? 92  THR   A N   1 
ATOM   766  C  CA  . THR   A 1 92  ? 21.561 -34.987 -0.728  1.00 27.26  ? 92  THR   A CA  1 
ATOM   767  C  C   . THR   A 1 92  ? 21.375 -33.494 -0.492  1.00 28.64  ? 92  THR   A C   1 
ATOM   768  O  O   . THR   A 1 92  ? 21.934 -32.933 0.458   1.00 28.41  ? 92  THR   A O   1 
ATOM   769  C  CB  . THR   A 1 92  ? 22.612 -35.242 -1.807  1.00 27.11  ? 92  THR   A CB  1 
ATOM   770  O  OG1 . THR   A 1 92  ? 22.760 -36.656 -1.996  1.00 30.83  ? 92  THR   A OG1 1 
ATOM   771  C  CG2 . THR   A 1 92  ? 23.959 -34.642 -1.409  1.00 25.67  ? 92  THR   A CG2 1 
ATOM   772  N  N   . GLY   A 1 93  ? 20.583 -32.836 -1.341  1.00 22.97  ? 93  GLY   A N   1 
ATOM   773  C  CA  . GLY   A 1 93  ? 20.342 -31.413 -1.159  1.00 22.80  ? 93  GLY   A CA  1 
ATOM   774  C  C   . GLY   A 1 93  ? 19.606 -31.105 0.129   1.00 26.23  ? 93  GLY   A C   1 
ATOM   775  O  O   . GLY   A 1 93  ? 19.930 -30.139 0.824   1.00 26.64  ? 93  GLY   A O   1 
ATOM   776  N  N   . LYS   A 1 94  ? 18.604 -31.923 0.469   1.00 25.32  ? 94  LYS   A N   1 
ATOM   777  C  CA  . LYS   A 1 94  ? 17.888 -31.720 1.725   1.00 29.61  ? 94  LYS   A CA  1 
ATOM   778  C  C   . LYS   A 1 94  ? 18.812 -31.906 2.922   1.00 28.90  ? 94  LYS   A C   1 
ATOM   779  O  O   . LYS   A 1 94  ? 18.740 -31.145 3.895   1.00 30.47  ? 94  LYS   A O   1 
ATOM   780  C  CB  . LYS   A 1 94  ? 16.696 -32.674 1.819   1.00 29.84  ? 94  LYS   A CB  1 
ATOM   781  C  CG  . LYS   A 1 94  ? 15.531 -32.332 0.907   1.00 36.91  ? 94  LYS   A CG  1 
ATOM   782  C  CD  . LYS   A 1 94  ? 14.942 -30.973 1.248   1.00 52.76  ? 94  LYS   A CD  1 
ATOM   783  C  CE  . LYS   A 1 94  ? 13.653 -30.723 0.479   1.00 66.98  ? 94  LYS   A CE  1 
ATOM   784  N  NZ  . LYS   A 1 94  ? 13.153 -29.332 0.641   1.00 64.81  ? 94  LYS   A NZ  1 
ATOM   785  N  N   . ASN   A 1 95  ? 19.691 -32.912 2.868   1.00 27.91  ? 95  ASN   A N   1 
ATOM   786  C  CA  . ASN   A 1 95  ? 20.612 -33.153 3.976   1.00 29.90  ? 95  ASN   A CA  1 
ATOM   787  C  C   . ASN   A 1 95  ? 21.557 -31.974 4.174   1.00 32.03  ? 95  ASN   A C   1 
ATOM   788  O  O   . ASN   A 1 95  ? 21.749 -31.496 5.299   1.00 28.93  ? 95  ASN   A O   1 
ATOM   789  C  CB  . ASN   A 1 95  ? 21.412 -34.436 3.732   1.00 30.07  ? 95  ASN   A CB  1 
ATOM   790  C  CG  . ASN   A 1 95  ? 20.581 -35.691 3.920   1.00 36.68  ? 95  ASN   A CG  1 
ATOM   791  O  OD1 . ASN   A 1 95  ? 19.486 -35.647 4.476   1.00 32.02  ? 95  ASN   A OD1 1 
ATOM   792  N  ND2 . ASN   A 1 95  ? 21.106 -36.821 3.460   1.00 35.45  ? 95  ASN   A ND2 1 
ATOM   793  N  N   . ILE   A 1 96  ? 22.165 -31.492 3.089   1.00 28.29  ? 96  ILE   A N   1 
ATOM   794  C  CA  . ILE   A 1 96  ? 23.146 -30.420 3.220   1.00 29.04  ? 96  ILE   A CA  1 
ATOM   795  C  C   . ILE   A 1 96  ? 22.459 -29.099 3.536   1.00 25.04  ? 96  ILE   A C   1 
ATOM   796  O  O   . ILE   A 1 96  ? 23.036 -28.238 4.214   1.00 29.84  ? 96  ILE   A O   1 
ATOM   797  C  CB  . ILE   A 1 96  ? 24.010 -30.339 1.948   1.00 26.97  ? 96  ILE   A CB  1 
ATOM   798  C  CG1 . ILE   A 1 96  ? 24.741 -31.666 1.740   1.00 28.08  ? 96  ILE   A CG1 1 
ATOM   799  C  CG2 . ILE   A 1 96  ? 25.017 -29.203 2.047   1.00 27.76  ? 96  ILE   A CG2 1 
ATOM   800  C  CD1 . ILE   A 1 96  ? 25.662 -31.683 0.549   1.00 27.78  ? 96  ILE   A CD1 1 
ATOM   801  N  N   . GLU   A 1 97  ? 21.223 -28.917 3.066   1.00 23.96  ? 97  GLU   A N   1 
ATOM   802  C  CA  . GLU   A 1 97  ? 20.454 -27.739 3.457   1.00 25.56  ? 97  GLU   A CA  1 
ATOM   803  C  C   . GLU   A 1 97  ? 20.255 -27.701 4.967   1.00 38.82  ? 97  GLU   A C   1 
ATOM   804  O  O   . GLU   A 1 97  ? 20.473 -26.668 5.609   1.00 31.15  ? 97  GLU   A O   1 
ATOM   805  C  CB  . GLU   A 1 97  ? 19.106 -27.727 2.737   1.00 28.75  ? 97  GLU   A CB  1 
ATOM   806  C  CG  . GLU   A 1 97  ? 18.226 -26.526 3.069   1.00 29.86  ? 97  GLU   A CG  1 
ATOM   807  C  CD  . GLU   A 1 97  ? 16.811 -26.681 2.545   1.00 34.51  ? 97  GLU   A CD  1 
ATOM   808  O  OE1 . GLU   A 1 97  ? 16.287 -27.817 2.572   1.00 40.16  ? 97  GLU   A OE1 1 
ATOM   809  O  OE2 . GLU   A 1 97  ? 16.220 -25.672 2.106   1.00 40.24  ? 97  GLU   A OE2 1 
ATOM   810  N  N   . ALA   A 1 98  ? 19.851 -28.831 5.555   1.00 31.41  ? 98  ALA   A N   1 
ATOM   811  C  CA  . ALA   A 1 98  ? 19.674 -28.893 7.002   1.00 29.41  ? 98  ALA   A CA  1 
ATOM   812  C  C   . ALA   A 1 98  ? 20.990 -28.654 7.730   1.00 26.97  ? 98  ALA   A C   1 
ATOM   813  O  O   . ALA   A 1 98  ? 21.027 -27.954 8.749   1.00 36.18  ? 98  ALA   A O   1 
ATOM   814  C  CB  . ALA   A 1 98  ? 19.080 -30.244 7.401   1.00 35.61  ? 98  ALA   A CB  1 
ATOM   815  N  N   . TYR   A 1 99  ? 22.081 -29.232 7.223   1.00 27.85  ? 99  TYR   A N   1 
ATOM   816  C  CA  . TYR   A 1 99  ? 23.391 -28.997 7.819   1.00 31.35  ? 99  TYR   A CA  1 
ATOM   817  C  C   . TYR   A 1 99  ? 23.775 -27.525 7.736   1.00 40.12  ? 99  TYR   A C   1 
ATOM   818  O  O   . TYR   A 1 99  ? 24.299 -26.955 8.700   1.00 33.71  ? 99  TYR   A O   1 
ATOM   819  C  CB  . TYR   A 1 99  ? 24.434 -29.873 7.124   1.00 29.05  ? 99  TYR   A CB  1 
ATOM   820  C  CG  . TYR   A 1 99  ? 25.856 -29.676 7.600   1.00 31.76  ? 99  TYR   A CG  1 
ATOM   821  C  CD1 . TYR   A 1 99  ? 26.288 -30.211 8.807   1.00 46.15  ? 99  TYR   A CD1 1 
ATOM   822  C  CD2 . TYR   A 1 99  ? 26.777 -28.976 6.828   1.00 41.01  ? 99  TYR   A CD2 1 
ATOM   823  C  CE1 . TYR   A 1 99  ? 27.595 -30.041 9.241   1.00 44.66  ? 99  TYR   A CE1 1 
ATOM   824  C  CE2 . TYR   A 1 99  ? 28.085 -28.802 7.252   1.00 34.35  ? 99  TYR   A CE2 1 
ATOM   825  C  CZ  . TYR   A 1 99  ? 28.488 -29.335 8.460   1.00 43.12  ? 99  TYR   A CZ  1 
ATOM   826  O  OH  . TYR   A 1 99  ? 29.787 -29.166 8.883   1.00 40.00  ? 99  TYR   A OH  1 
ATOM   827  N  N   . PHE   A 1 100 ? 23.503 -26.889 6.594   1.00 28.89  ? 100 PHE   A N   1 
ATOM   828  C  CA  . PHE   A 1 100 ? 23.839 -25.478 6.419   1.00 30.32  ? 100 PHE   A CA  1 
ATOM   829  C  C   . PHE   A 1 100 ? 23.071 -24.598 7.398   1.00 34.38  ? 100 PHE   A C   1 
ATOM   830  O  O   . PHE   A 1 100 ? 23.644 -23.700 8.027   1.00 36.92  ? 100 PHE   A O   1 
ATOM   831  C  CB  . PHE   A 1 100 ? 23.559 -25.062 4.975   1.00 27.66  ? 100 PHE   A CB  1 
ATOM   832  C  CG  . PHE   A 1 100 ? 23.710 -23.587 4.721   1.00 23.27  ? 100 PHE   A CG  1 
ATOM   833  C  CD1 . PHE   A 1 100 ? 24.949 -22.973 4.822   1.00 29.67  ? 100 PHE   A CD1 1 
ATOM   834  C  CD2 . PHE   A 1 100 ? 22.614 -22.821 4.357   1.00 25.01  ? 100 PHE   A CD2 1 
ATOM   835  C  CE1 . PHE   A 1 100 ? 25.087 -21.615 4.578   1.00 29.49  ? 100 PHE   A CE1 1 
ATOM   836  C  CE2 . PHE   A 1 100 ? 22.746 -21.464 4.112   1.00 30.26  ? 100 PHE   A CE2 1 
ATOM   837  C  CZ  . PHE   A 1 100 ? 23.984 -20.863 4.223   1.00 27.36  ? 100 PHE   A CZ  1 
ATOM   838  N  N   . ASN   A 1 101 ? 21.767 -24.845 7.545   1.00 30.12  ? 101 ASN   A N   1 
ATOM   839  C  CA  . ASN   A 1 101 ? 20.962 -24.019 8.437   1.00 34.07  ? 101 ASN   A CA  1 
ATOM   840  C  C   . ASN   A 1 101 ? 21.394 -24.171 9.889   1.00 45.68  ? 101 ASN   A C   1 
ATOM   841  O  O   . ASN   A 1 101 ? 21.299 -23.214 10.666  1.00 41.76  ? 101 ASN   A O   1 
ATOM   842  C  CB  . ASN   A 1 101 ? 19.483 -24.362 8.277   1.00 33.02  ? 101 ASN   A CB  1 
ATOM   843  C  CG  . ASN   A 1 101 ? 18.899 -23.819 6.990   1.00 47.01  ? 101 ASN   A CG  1 
ATOM   844  O  OD1 . ASN   A 1 101 ? 19.342 -22.787 6.482   1.00 40.04  ? 101 ASN   A OD1 1 
ATOM   845  N  ND2 . ASN   A 1 101 ? 17.897 -24.508 6.458   1.00 39.57  ? 101 ASN   A ND2 1 
ATOM   846  N  N   . ASN   A 1 102 ? 21.871 -25.356 10.275  1.00 39.82  ? 102 ASN   A N   1 
ATOM   847  C  CA  . ASN   A 1 102 ? 22.371 -25.528 11.635  1.00 39.81  ? 102 ASN   A CA  1 
ATOM   848  C  C   . ASN   A 1 102 ? 23.728 -24.862 11.818  1.00 47.14  ? 102 ASN   A C   1 
ATOM   849  O  O   . ASN   A 1 102 ? 24.023 -24.349 12.903  1.00 43.98  ? 102 ASN   A O   1 
ATOM   850  C  CB  . ASN   A 1 102 ? 22.453 -27.013 11.990  1.00 41.09  ? 102 ASN   A CB  1 
ATOM   851  C  CG  . ASN   A 1 102 ? 22.856 -27.244 13.435  1.00 39.55  ? 102 ASN   A CG  1 
ATOM   852  O  OD1 . ASN   A 1 102 ? 22.082 -26.982 14.355  1.00 46.79  ? 102 ASN   A OD1 1 
ATOM   853  N  ND2 . ASN   A 1 102 ? 24.071 -27.740 13.641  1.00 43.17  ? 102 ASN   A ND2 1 
ATOM   854  N  N   . GLN   A 1 103 ? 24.564 -24.859 10.775  1.00 32.43  ? 103 GLN   A N   1 
ATOM   855  C  CA  . GLN   A 1 103 ? 25.853 -24.181 10.867  1.00 33.95  ? 103 GLN   A CA  1 
ATOM   856  C  C   . GLN   A 1 103 ? 25.685 -22.675 11.010  1.00 31.16  ? 103 GLN   A C   1 
ATOM   857  O  O   . GLN   A 1 103 ? 26.474 -22.032 11.709  1.00 36.58  ? 103 GLN   A O   1 
ATOM   858  C  CB  . GLN   A 1 103 ? 26.715 -24.509 9.647   1.00 31.58  ? 103 GLN   A CB  1 
ATOM   859  C  CG  . GLN   A 1 103 ? 27.283 -25.920 9.651   1.00 37.52  ? 103 GLN   A CG  1 
ATOM   860  C  CD  . GLN   A 1 103 ? 28.250 -26.157 10.797  1.00 49.44  ? 103 GLN   A CD  1 
ATOM   861  O  OE1 . GLN   A 1 103 ? 29.278 -25.489 10.907  1.00 49.83  ? 103 GLN   A OE1 1 
ATOM   862  N  NE2 . GLN   A 1 103 ? 27.920 -27.110 11.661  1.00 49.81  ? 103 GLN   A NE2 1 
ATOM   863  N  N   . LEU   A 1 104 ? 24.668 -22.097 10.365  1.00 35.57  ? 104 LEU   A N   1 
ATOM   864  C  CA  . LEU   A 1 104 ? 24.405 -20.671 10.531  1.00 34.22  ? 104 LEU   A CA  1 
ATOM   865  C  C   . LEU   A 1 104 ? 24.133 -20.320 11.987  1.00 51.28  ? 104 LEU   A C   1 
ATOM   866  O  O   . LEU   A 1 104 ? 24.388 -19.187 12.413  1.00 38.32  ? 104 LEU   A O   1 
ATOM   867  C  CB  . LEU   A 1 104 ? 23.224 -20.246 9.660   1.00 36.57  ? 104 LEU   A CB  1 
ATOM   868  C  CG  . LEU   A 1 104 ? 23.394 -20.356 8.145   1.00 33.03  ? 104 LEU   A CG  1 
ATOM   869  C  CD1 . LEU   A 1 104 ? 22.093 -19.985 7.441   1.00 28.14  ? 104 LEU   A CD1 1 
ATOM   870  C  CD2 . LEU   A 1 104 ? 24.547 -19.480 7.666   1.00 31.39  ? 104 LEU   A CD2 1 
ATOM   871  N  N   . ILE   A 1 105 ? 23.625 -21.275 12.763  1.00 36.90  ? 105 ILE   A N   1 
ATOM   872  C  CA  . ILE   A 1 105 ? 23.339 -21.028 14.173  1.00 39.45  ? 105 ILE   A CA  1 
ATOM   873  C  C   . ILE   A 1 105 ? 24.585 -21.245 15.023  1.00 52.28  ? 105 ILE   A C   1 
ATOM   874  O  O   . ILE   A 1 105 ? 25.016 -20.353 15.764  1.00 44.86  ? 105 ILE   A O   1 
ATOM   875  C  CB  . ILE   A 1 105 ? 22.176 -21.918 14.648  1.00 40.54  ? 105 ILE   A CB  1 
ATOM   876  C  CG1 . ILE   A 1 105 ? 20.903 -21.596 13.864  1.00 38.71  ? 105 ILE   A CG1 1 
ATOM   877  C  CG2 . ILE   A 1 105 ? 21.956 -21.747 16.142  1.00 43.96  ? 105 ILE   A CG2 1 
ATOM   878  C  CD1 . ILE   A 1 105 ? 19.739 -22.511 14.184  1.00 45.62  ? 105 ILE   A CD1 1 
ATOM   879  N  N   . VAL   A 1 106 ? 25.186 -22.435 14.922  1.00 42.93  ? 106 VAL   A N   1 
ATOM   880  C  CA  . VAL   A 1 106 ? 26.268 -22.804 15.829  1.00 45.43  ? 106 VAL   A CA  1 
ATOM   881  C  C   . VAL   A 1 106 ? 27.544 -22.011 15.570  1.00 49.21  ? 106 VAL   A C   1 
ATOM   882  O  O   . VAL   A 1 106 ? 28.402 -21.923 16.458  1.00 48.40  ? 106 VAL   A O   1 
ATOM   883  C  CB  . VAL   A 1 106 ? 26.547 -24.317 15.749  1.00 49.42  ? 106 VAL   A CB  1 
ATOM   884  C  CG1 . VAL   A 1 106 ? 25.258 -25.102 15.951  1.00 47.45  ? 106 VAL   A CG1 1 
ATOM   885  C  CG2 . VAL   A 1 106 ? 27.208 -24.678 14.426  1.00 43.34  ? 106 VAL   A CG2 1 
ATOM   886  N  N   . THR   A 1 107 ? 27.709 -21.437 14.378  1.00 53.84  ? 107 THR   A N   1 
ATOM   887  C  CA  . THR   A 1 107 ? 28.858 -20.572 14.139  1.00 42.95  ? 107 THR   A CA  1 
ATOM   888  C  C   . THR   A 1 107 ? 28.631 -19.156 14.647  1.00 39.86  ? 107 THR   A C   1 
ATOM   889  O  O   . THR   A 1 107 ? 29.602 -18.413 14.827  1.00 41.17  ? 107 THR   A O   1 
ATOM   890  C  CB  . THR   A 1 107 ? 29.194 -20.511 12.648  1.00 42.70  ? 107 THR   A CB  1 
ATOM   891  O  OG1 . THR   A 1 107 ? 28.070 -19.984 11.929  1.00 35.15  ? 107 THR   A OG1 1 
ATOM   892  C  CG2 . THR   A 1 107 ? 29.552 -21.896 12.111  1.00 44.93  ? 107 THR   A CG2 1 
ATOM   893  N  N   . GLY   A 1 108 ? 27.382 -18.773 14.887  1.00 39.20  ? 108 GLY   A N   1 
ATOM   894  C  CA  . GLY   A 1 108 ? 27.052 -17.400 15.193  1.00 46.48  ? 108 GLY   A CA  1 
ATOM   895  C  C   . GLY   A 1 108 ? 26.860 -16.516 13.985  1.00 50.67  ? 108 GLY   A C   1 
ATOM   896  O  O   . GLY   A 1 108 ? 26.755 -15.294 14.145  1.00 40.10  ? 108 GLY   A O   1 
ATOM   897  N  N   . TYR   A 1 109 ? 26.808 -17.092 12.780  1.00 37.15  ? 109 TYR   A N   1 
ATOM   898  C  CA  . TYR   A 1 109 ? 26.666 -16.281 11.575  1.00 35.34  ? 109 TYR   A CA  1 
ATOM   899  C  C   . TYR   A 1 109 ? 25.372 -15.480 11.595  1.00 33.86  ? 109 TYR   A C   1 
ATOM   900  O  O   . TYR   A 1 109 ? 25.336 -14.333 11.134  1.00 33.84  ? 109 TYR   A O   1 
ATOM   901  C  CB  . TYR   A 1 109 ? 26.724 -17.170 10.331  1.00 34.95  ? 109 TYR   A CB  1 
ATOM   902  C  CG  . TYR   A 1 109 ? 26.851 -16.393 9.042   1.00 26.05  ? 109 TYR   A CG  1 
ATOM   903  C  CD1 . TYR   A 1 109 ? 25.727 -15.931 8.369   1.00 28.82  ? 109 TYR   A CD1 1 
ATOM   904  C  CD2 . TYR   A 1 109 ? 28.099 -16.108 8.506   1.00 24.93  ? 109 TYR   A CD2 1 
ATOM   905  C  CE1 . TYR   A 1 109 ? 25.844 -15.214 7.192   1.00 28.01  ? 109 TYR   A CE1 1 
ATOM   906  C  CE2 . TYR   A 1 109 ? 28.225 -15.392 7.331   1.00 23.91  ? 109 TYR   A CE2 1 
ATOM   907  C  CZ  . TYR   A 1 109 ? 27.099 -14.948 6.680   1.00 23.41  ? 109 TYR   A CZ  1 
ATOM   908  O  OH  . TYR   A 1 109 ? 27.229 -14.239 5.507   1.00 28.60  ? 109 TYR   A OH  1 
ATOM   909  N  N   . ASN   A 1 110 ? 24.296 -16.067 12.126  1.00 31.62  ? 110 ASN   A N   1 
ATOM   910  C  CA  . ASN   A 1 110 ? 23.028 -15.351 12.206  1.00 33.12  ? 110 ASN   A CA  1 
ATOM   911  C  C   . ASN   A 1 110 ? 23.123 -14.096 13.063  1.00 33.25  ? 110 ASN   A C   1 
ATOM   912  O  O   . ASN   A 1 110 ? 22.308 -13.182 12.894  1.00 40.18  ? 110 ASN   A O   1 
ATOM   913  C  CB  . ASN   A 1 110 ? 21.935 -16.275 12.746  1.00 36.68  ? 110 ASN   A CB  1 
ATOM   914  C  CG  . ASN   A 1 110 ? 21.498 -17.310 11.729  1.00 55.70  ? 110 ASN   A CG  1 
ATOM   915  O  OD1 . ASN   A 1 110 ? 21.629 -17.102 10.523  1.00 42.76  ? 110 ASN   A OD1 1 
ATOM   916  N  ND2 . ASN   A 1 110 ? 20.972 -18.432 12.211  1.00 45.18  ? 110 ASN   A ND2 1 
ATOM   917  N  N   . ASN   A 1 111 ? 24.094 -14.029 13.977  1.00 38.79  ? 111 ASN   A N   1 
ATOM   918  C  CA  . ASN   A 1 111 ? 24.280 -12.813 14.762  1.00 41.56  ? 111 ASN   A CA  1 
ATOM   919  C  C   . ASN   A 1 111 ? 24.719 -11.652 13.878  1.00 41.61  ? 111 ASN   A C   1 
ATOM   920  O  O   . ASN   A 1 111 ? 24.289 -10.512 14.083  1.00 43.29  ? 111 ASN   A O   1 
ATOM   921  C  CB  . ASN   A 1 111 ? 25.293 -13.057 15.881  1.00 40.40  ? 111 ASN   A CB  1 
ATOM   922  C  CG  . ASN   A 1 111 ? 24.808 -14.082 16.893  1.00 44.08  ? 111 ASN   A CG  1 
ATOM   923  O  OD1 . ASN   A 1 111 ? 23.626 -14.124 17.232  1.00 51.49  ? 111 ASN   A OD1 1 
ATOM   924  N  ND2 . ASN   A 1 111 ? 25.721 -14.916 17.376  1.00 48.55  ? 111 ASN   A ND2 1 
ATOM   925  N  N   . PHE   A 1 112 ? 25.568 -11.922 12.883  1.00 34.27  ? 112 PHE   A N   1 
ATOM   926  C  CA  . PHE   A 1 112 ? 25.946 -10.881 11.933  1.00 34.64  ? 112 PHE   A CA  1 
ATOM   927  C  C   . PHE   A 1 112 ? 24.764 -10.469 11.069  1.00 32.71  ? 112 PHE   A C   1 
ATOM   928  O  O   . PHE   A 1 112 ? 24.634 -9.295  10.703  1.00 34.55  ? 112 PHE   A O   1 
ATOM   929  C  CB  . PHE   A 1 112 ? 27.106 -11.358 11.060  1.00 32.63  ? 112 PHE   A CB  1 
ATOM   930  C  CG  . PHE   A 1 112 ? 28.400 -11.500 11.802  1.00 36.26  ? 112 PHE   A CG  1 
ATOM   931  C  CD1 . PHE   A 1 112 ? 29.250 -10.415 11.951  1.00 29.81  ? 112 PHE   A CD1 1 
ATOM   932  C  CD2 . PHE   A 1 112 ? 28.770 -12.717 12.351  1.00 38.77  ? 112 PHE   A CD2 1 
ATOM   933  C  CE1 . PHE   A 1 112 ? 30.444 -10.544 12.635  1.00 35.90  ? 112 PHE   A CE1 1 
ATOM   934  C  CE2 . PHE   A 1 112 ? 29.962 -12.849 13.037  1.00 45.15  ? 112 PHE   A CE2 1 
ATOM   935  C  CZ  . PHE   A 1 112 ? 30.800 -11.762 13.179  1.00 37.47  ? 112 PHE   A CZ  1 
ATOM   936  N  N   . VAL   A 1 113 ? 23.899 -11.423 10.723  1.00 31.57  ? 113 VAL   A N   1 
ATOM   937  C  CA  . VAL   A 1 113 ? 22.694 -11.098 9.966   1.00 28.29  ? 113 VAL   A CA  1 
ATOM   938  C  C   . VAL   A 1 113 ? 21.817 -10.132 10.752  1.00 38.21  ? 113 VAL   A C   1 
ATOM   939  O  O   . VAL   A 1 113 ? 21.305 -9.147  10.205  1.00 34.85  ? 113 VAL   A O   1 
ATOM   940  C  CB  . VAL   A 1 113 ? 21.936 -12.390 9.604   1.00 31.70  ? 113 VAL   A CB  1 
ATOM   941  C  CG1 . VAL   A 1 113 ? 20.551 -12.068 9.070   1.00 37.23  ? 113 VAL   A CG1 1 
ATOM   942  C  CG2 . VAL   A 1 113 ? 22.739 -13.219 8.596   1.00 26.57  ? 113 VAL   A CG2 1 
ATOM   943  N  N   . THR   A 1 114 ? 21.638 -10.393 12.048  1.00 39.70  ? 114 THR   A N   1 
ATOM   944  C  CA  . THR   A 1 114 ? 20.779 -9.545  12.869  1.00 38.51  ? 114 THR   A CA  1 
ATOM   945  C  C   . THR   A 1 114 ? 21.353 -8.139  12.995  1.00 59.08  ? 114 THR   A C   1 
ATOM   946  O  O   . THR   A 1 114 ? 20.628 -7.146  12.850  1.00 48.61  ? 114 THR   A O   1 
ATOM   947  C  CB  . THR   A 1 114 ? 20.586 -10.176 14.248  1.00 53.07  ? 114 THR   A CB  1 
ATOM   948  O  OG1 . THR   A 1 114 ? 19.951 -11.452 14.103  1.00 52.69  ? 114 THR   A OG1 1 
ATOM   949  C  CG2 . THR   A 1 114 ? 19.723 -9.284  15.130  1.00 59.53  ? 114 THR   A CG2 1 
ATOM   950  N  N   . LYS   A 1 115 ? 22.657 -8.037  13.264  1.00 39.78  ? 115 LYS   A N   1 
ATOM   951  C  CA  . LYS   A 1 115 ? 23.299 -6.729  13.353  1.00 41.82  ? 115 LYS   A CA  1 
ATOM   952  C  C   . LYS   A 1 115 ? 23.179 -5.971  12.037  1.00 43.17  ? 115 LYS   A C   1 
ATOM   953  O  O   . LYS   A 1 115 ? 22.807 -4.792  12.016  1.00 50.57  ? 115 LYS   A O   1 
ATOM   954  C  CB  . LYS   A 1 115 ? 24.769 -6.890  13.742  1.00 36.24  ? 115 LYS   A CB  1 
ATOM   955  C  CG  . LYS   A 1 115 ? 25.007 -7.591  15.071  1.00 56.58  ? 115 LYS   A CG  1 
ATOM   956  C  CD  . LYS   A 1 115 ? 24.756 -6.671  16.252  1.00 74.93  ? 115 LYS   A CD  1 
ATOM   957  C  CE  . LYS   A 1 115 ? 24.844 -7.437  17.562  1.00 84.04  ? 115 LYS   A CE  1 
ATOM   958  N  NZ  . LYS   A 1 115 ? 26.114 -8.207  17.680  1.00 72.34  ? 115 LYS   A NZ  1 
ATOM   959  N  N   . ALA   A 1 116 ? 23.480 -6.641  10.921  1.00 40.71  ? 116 ALA   A N   1 
ATOM   960  C  CA  . ALA   A 1 116 ? 23.460 -5.970  9.625   1.00 38.51  ? 116 ALA   A CA  1 
ATOM   961  C  C   . ALA   A 1 116 ? 22.049 -5.576  9.206   1.00 52.52  ? 116 ALA   A C   1 
ATOM   962  O  O   . ALA   A 1 116 ? 21.871 -4.556  8.530   1.00 44.60  ? 116 ALA   A O   1 
ATOM   963  C  CB  . ALA   A 1 116 ? 24.095 -6.862  8.560   1.00 44.36  ? 116 ALA   A CB  1 
ATOM   964  N  N   . ASN   A 1 117 ? 21.042 -6.369  9.580   1.00 47.29  ? 117 ASN   A N   1 
ATOM   965  C  CA  . ASN   A 1 117 ? 19.665 -6.002  9.260   1.00 51.55  ? 117 ASN   A CA  1 
ATOM   966  C  C   . ASN   A 1 117 ? 19.255 -4.723  9.978   1.00 59.67  ? 117 ASN   A C   1 
ATOM   967  O  O   . ASN   A 1 117 ? 18.491 -3.916  9.436   1.00 67.00  ? 117 ASN   A O   1 
ATOM   968  C  CB  . ASN   A 1 117 ? 18.715 -7.146  9.615   1.00 45.01  ? 117 ASN   A CB  1 
ATOM   969  C  CG  . ASN   A 1 117 ? 18.770 -8.284  8.613   1.00 65.39  ? 117 ASN   A CG  1 
ATOM   970  O  OD1 . ASN   A 1 117 ? 19.136 -8.090  7.452   1.00 48.20  ? 117 ASN   A OD1 1 
ATOM   971  N  ND2 . ASN   A 1 117 ? 18.396 -9.479  9.055   1.00 62.03  ? 117 ASN   A ND2 1 
ATOM   972  N  N   . THR   A 1 118 ? 19.759 -4.517  11.197  1.00 54.54  ? 118 THR   A N   1 
ATOM   973  C  CA  . THR   A 1 118 ? 19.443 -3.294  11.928  1.00 62.35  ? 118 THR   A CA  1 
ATOM   974  C  C   . THR   A 1 118 ? 20.222 -2.104  11.378  1.00 61.50  ? 118 THR   A C   1 
ATOM   975  O  O   . THR   A 1 118 ? 19.693 -0.988  11.310  1.00 59.89  ? 118 THR   A O   1 
ATOM   976  C  CB  . THR   A 1 118 ? 19.736 -3.484  13.415  1.00 56.80  ? 118 THR   A CB  1 
ATOM   977  O  OG1 . THR   A 1 118 ? 19.096 -4.680  13.878  1.00 55.34  ? 118 THR   A OG1 1 
ATOM   978  C  CG2 . THR   A 1 118 ? 19.220 -2.298  14.215  1.00 76.26  ? 118 THR   A CG2 1 
ATOM   979  N  N   . ILE   A 1 119 ? 21.479 -2.323  10.982  1.00 56.90  ? 119 ILE   A N   1 
ATOM   980  C  CA  . ILE   A 1 119 ? 22.302 -1.239  10.448  1.00 55.91  ? 119 ILE   A CA  1 
ATOM   981  C  C   . ILE   A 1 119 ? 21.674 -0.655  9.188   1.00 73.59  ? 119 ILE   A C   1 
ATOM   982  O  O   . ILE   A 1 119 ? 21.662 0.567   8.990   1.00 50.34  ? 119 ILE   A O   1 
ATOM   983  C  CB  . ILE   A 1 119 ? 23.734 -1.742  10.180  1.00 56.13  ? 119 ILE   A CB  1 
ATOM   984  C  CG1 . ILE   A 1 119 ? 24.432 -2.117  11.487  1.00 39.68  ? 119 ILE   A CG1 1 
ATOM   985  C  CG2 . ILE   A 1 119 ? 24.545 -0.701  9.414   1.00 57.80  ? 119 ILE   A CG2 1 
ATOM   986  C  CD1 . ILE   A 1 119 ? 25.772 -2.786  11.279  1.00 44.67  ? 119 ILE   A CD1 1 
ATOM   987  N  N   . ASN   A 1 120 ? 21.137 -1.514  8.322   1.00 57.24  ? 120 ASN   A N   1 
ATOM   988  C  CA  . ASN   A 1 120 ? 20.659 -1.106  7.008   1.00 69.38  ? 120 ASN   A CA  1 
ATOM   989  C  C   . ASN   A 1 120 ? 19.140 -0.976  6.942   1.00 83.37  ? 120 ASN   A C   1 
ATOM   990  O  O   . ASN   A 1 120 ? 18.564 -1.067  5.853   1.00 78.25  ? 120 ASN   A O   1 
ATOM   991  C  CB  . ASN   A 1 120 ? 21.157 -2.087  5.945   1.00 53.03  ? 120 ASN   A CB  1 
ATOM   992  C  CG  . ASN   A 1 120 ? 22.662 -2.022  5.753   1.00 84.01  ? 120 ASN   A CG  1 
ATOM   993  O  OD1 . ASN   A 1 120 ? 23.156 -1.319  4.872   1.00 66.87  ? 120 ASN   A OD1 1 
ATOM   994  N  ND2 . ASN   A 1 120 ? 23.399 -2.752  6.585   1.00 61.17  ? 120 ASN   A ND2 1 
ATOM   995  N  N   . GLU   A 1 121 ? 18.481 -0.758  8.076   1.00 78.59  ? 121 GLU   A N   1 
ATOM   996  C  CA  . GLU   A 1 121 ? 17.038 -0.543  8.077   1.00 68.12  ? 121 GLU   A CA  1 
ATOM   997  C  C   . GLU   A 1 121 ? 16.723 0.937   8.267   1.00 87.87  ? 121 GLU   A C   1 
ATOM   998  O  O   . GLU   A 1 121 ? 17.625 1.755   8.458   1.00 90.33  ? 121 GLU   A O   1 
ATOM   999  C  CB  . GLU   A 1 121 ? 16.361 -1.373  9.170   1.00 80.74  ? 121 GLU   A CB  1 
ATOM   1000 C  CG  . GLU   A 1 121 ? 16.572 -0.842  10.578  1.00 83.55  ? 121 GLU   A CG  1 
ATOM   1001 C  CD  . GLU   A 1 121 ? 15.843 -1.663  11.626  1.00 96.28  ? 121 GLU   A CD  1 
ATOM   1002 O  OE1 . GLU   A 1 121 ? 15.154 -2.635  11.248  1.00 87.78  ? 121 GLU   A OE1 1 
ATOM   1003 O  OE2 . GLU   A 1 121 ? 15.959 -1.337  12.826  1.00 90.80  ? 121 GLU   A OE2 1 
HETATM 1004 S  S   . SO4   B 2 .   ? 39.782 -16.591 -10.205 1.00 56.24  ? 201 SO4   A S   1 
HETATM 1005 O  O1  . SO4   B 2 .   ? 40.572 -17.708 -10.816 1.00 69.04  ? 201 SO4   A O1  1 
HETATM 1006 O  O2  . SO4   B 2 .   ? 38.383 -16.620 -10.742 1.00 60.91  ? 201 SO4   A O2  1 
HETATM 1007 O  O3  . SO4   B 2 .   ? 39.747 -16.764 -8.716  1.00 46.98  ? 201 SO4   A O3  1 
HETATM 1008 O  O4  . SO4   B 2 .   ? 40.422 -15.277 -10.548 1.00 44.58  ? 201 SO4   A O4  1 
HETATM 1009 S  S   . SO4   C 2 .   ? 38.523 -24.389 -2.945  1.00 122.17 ? 202 SO4   A S   1 
HETATM 1010 O  O1  . SO4   C 2 .   ? 39.762 -25.232 -2.887  1.00 106.38 ? 202 SO4   A O1  1 
HETATM 1011 O  O2  . SO4   C 2 .   ? 37.492 -25.077 -3.787  1.00 102.19 ? 202 SO4   A O2  1 
HETATM 1012 O  O3  . SO4   C 2 .   ? 37.987 -24.202 -1.558  1.00 76.96  ? 202 SO4   A O3  1 
HETATM 1013 O  O4  . SO4   C 2 .   ? 38.846 -23.052 -3.544  1.00 70.80  ? 202 SO4   A O4  1 
HETATM 1014 C  C14 . A1IUX D 3 .   ? 27.132 -32.778 -10.778 0.89 28.57  ? 203 A1IUX A C14 1 
HETATM 1015 C  C12 . A1IUX D 3 .   ? 24.763 -32.854 -10.171 0.89 24.92  ? 203 A1IUX A C12 1 
HETATM 1016 C  C10 . A1IUX D 3 .   ? 22.885 -30.391 -8.161  0.89 23.71  ? 203 A1IUX A C10 1 
HETATM 1017 C  C01 . A1IUX D 3 .   ? 23.199 -33.725 -12.105 0.89 24.69  ? 203 A1IUX A C01 1 
HETATM 1018 C  C02 . A1IUX D 3 .   ? 22.010 -34.699 -11.926 0.89 27.94  ? 203 A1IUX A C02 1 
HETATM 1019 C  C03 . A1IUX D 3 .   ? 20.655 -34.027 -11.767 0.89 30.67  ? 203 A1IUX A C03 1 
HETATM 1020 C  C04 . A1IUX D 3 .   ? 20.727 -32.524 -11.959 0.89 28.81  ? 203 A1IUX A C04 1 
HETATM 1021 C  C05 . A1IUX D 3 .   ? 21.280 -31.789 -10.752 0.89 26.68  ? 203 A1IUX A C05 1 
HETATM 1022 C  C07 . A1IUX D 3 .   ? 22.650 -31.988 -10.257 0.89 26.08  ? 203 A1IUX A C07 1 
HETATM 1023 C  C08 . A1IUX D 3 .   ? 23.568 -32.912 -10.889 0.89 24.96  ? 203 A1IUX A C08 1 
HETATM 1024 C  C09 . A1IUX D 3 .   ? 23.308 -31.398 -9.172  0.89 26.65  ? 203 A1IUX A C09 1 
HETATM 1025 C  C13 . A1IUX D 3 .   ? 26.048 -33.545 -10.335 0.89 26.41  ? 203 A1IUX A C13 1 
HETATM 1026 C  C15 . A1IUX D 3 .   ? 28.398 -33.334 -10.955 0.89 27.39  ? 203 A1IUX A C15 1 
HETATM 1027 C  C16 . A1IUX D 3 .   ? 28.609 -34.675 -10.686 0.89 29.83  ? 203 A1IUX A C16 1 
HETATM 1028 C  C17 . A1IUX D 3 .   ? 27.553 -35.459 -10.240 0.89 29.57  ? 203 A1IUX A C17 1 
HETATM 1029 C  C18 . A1IUX D 3 .   ? 26.284 -34.899 -10.063 0.89 25.75  ? 203 A1IUX A C18 1 
HETATM 1030 C  C19 . A1IUX D 3 .   ? 25.181 -35.848 -9.565  0.89 38.00  ? 203 A1IUX A C19 1 
HETATM 1031 F  F20 . A1IUX D 3 .   ? 25.625 -36.995 -9.005  0.89 34.64  ? 203 A1IUX A F20 1 
HETATM 1032 F  F21 . A1IUX D 3 .   ? 24.331 -36.241 -10.506 0.89 33.37  ? 203 A1IUX A F21 1 
HETATM 1033 F  F22 . A1IUX D 3 .   ? 24.416 -35.275 -8.605  0.89 29.32  ? 203 A1IUX A F22 1 
HETATM 1034 N  N11 . A1IUX D 3 .   ? 24.597 -31.929 -9.128  0.89 25.93  ? 203 A1IUX A N11 1 
HETATM 1035 O  O06 . A1IUX D 3 .   ? 20.543 -30.997 -10.168 0.89 24.20  ? 203 A1IUX A O06 1 
HETATM 1036 CL CL  . CL    E 4 .   ? 28.559 -38.670 -7.915  1.00 40.18  ? 204 CL    A CL  1 
HETATM 1037 O  O   . HOH   F 5 .   ? 30.869 -40.451 2.891   1.00 53.28  ? 301 HOH   A O   1 
HETATM 1038 O  O   . HOH   F 5 .   ? 33.990 -21.744 11.475  1.00 60.94  ? 302 HOH   A O   1 
HETATM 1039 O  O   . HOH   F 5 .   ? 37.610 -17.730 -8.065  1.00 48.57  ? 303 HOH   A O   1 
HETATM 1040 O  O   . HOH   F 5 .   ? 29.401 -30.842 -13.831 1.00 47.07  ? 304 HOH   A O   1 
HETATM 1041 O  O   . HOH   F 5 .   ? 16.226 -19.451 -3.685  1.00 33.26  ? 305 HOH   A O   1 
HETATM 1042 O  O   . HOH   F 5 .   ? 30.764 -24.596 9.077   1.00 43.97  ? 306 HOH   A O   1 
HETATM 1043 O  O   . HOH   F 5 .   ? 34.703 -12.560 14.944  1.00 57.54  ? 307 HOH   A O   1 
HETATM 1044 O  O   . HOH   F 5 .   ? 28.093 -29.308 -22.011 1.00 39.71  ? 308 HOH   A O   1 
HETATM 1045 O  O   . HOH   F 5 .   ? 35.565 -25.489 -6.328  1.00 36.72  ? 309 HOH   A O   1 
HETATM 1046 O  O   . HOH   F 5 .   ? 34.918 -4.904  8.010   1.00 43.20  ? 310 HOH   A O   1 
HETATM 1047 O  O   . HOH   F 5 .   ? 25.627 -5.476  -1.295  1.00 50.04  ? 311 HOH   A O   1 
HETATM 1048 O  O   . HOH   F 5 .   ? 15.034 -22.054 -21.632 1.00 51.05  ? 312 HOH   A O   1 
HETATM 1049 O  O   . HOH   F 5 .   ? 17.873 -17.695 -2.434  1.00 34.13  ? 313 HOH   A O   1 
HETATM 1050 O  O   . HOH   F 5 .   ? 17.471 -36.248 -10.288 1.00 33.74  ? 314 HOH   A O   1 
HETATM 1051 O  O   . HOH   F 5 .   ? 25.350 -10.335 19.046  1.00 60.55  ? 315 HOH   A O   1 
HETATM 1052 O  O   . HOH   F 5 .   ? 34.982 -14.603 11.910  1.00 46.09  ? 316 HOH   A O   1 
HETATM 1053 O  O   . HOH   F 5 .   ? 24.486 -39.158 -15.801 1.00 47.38  ? 317 HOH   A O   1 
HETATM 1054 O  O   . HOH   F 5 .   ? 19.810 -21.025 10.485  1.00 41.33  ? 318 HOH   A O   1 
HETATM 1055 O  O   . HOH   F 5 .   ? 25.383 -28.528 11.469  1.00 56.45  ? 319 HOH   A O   1 
HETATM 1056 O  O   . HOH   F 5 .   ? 30.675 -29.892 11.290  1.00 48.72  ? 320 HOH   A O   1 
HETATM 1057 O  O   . HOH   F 5 .   ? 16.584 -23.650 4.110   1.00 36.78  ? 321 HOH   A O   1 
HETATM 1058 O  O   . HOH   F 5 .   ? 34.338 -5.549  -2.159  1.00 43.02  ? 322 HOH   A O   1 
HETATM 1059 O  O   . HOH   F 5 .   ? 36.564 -18.009 -1.213  1.00 33.70  ? 323 HOH   A O   1 
HETATM 1060 O  O   . HOH   F 5 .   ? 10.819 -31.271 -9.039  1.00 42.95  ? 324 HOH   A O   1 
HETATM 1061 O  O   . HOH   F 5 .   ? 25.884 -28.361 -9.005  1.00 24.41  ? 325 HOH   A O   1 
HETATM 1062 O  O   . HOH   F 5 .   ? 18.711 -24.927 -22.492 1.00 49.32  ? 326 HOH   A O   1 
HETATM 1063 O  O   . HOH   F 5 .   ? 16.886 -20.837 -10.520 1.00 23.93  ? 327 HOH   A O   1 
HETATM 1064 O  O   . HOH   F 5 .   ? 31.467 -30.704 6.799   1.00 38.34  ? 328 HOH   A O   1 
HETATM 1065 O  O   . HOH   F 5 .   ? 27.795 -5.457  5.726   1.00 40.45  ? 329 HOH   A O   1 
HETATM 1066 O  O   . HOH   F 5 .   ? 22.756 -17.370 -11.248 1.00 29.76  ? 330 HOH   A O   1 
HETATM 1067 O  O   . HOH   F 5 .   ? 24.191 -26.537 -8.042  1.00 25.00  ? 331 HOH   A O   1 
HETATM 1068 O  O   . HOH   F 5 .   ? 13.549 -41.738 -1.625  1.00 47.36  ? 332 HOH   A O   1 
HETATM 1069 O  O   . HOH   F 5 .   ? 30.022 -30.351 -8.986  1.00 30.35  ? 333 HOH   A O   1 
HETATM 1070 O  O   . HOH   F 5 .   ? 24.417 -25.727 -11.846 1.00 33.41  ? 334 HOH   A O   1 
HETATM 1071 O  O   . HOH   F 5 .   ? 32.856 -30.390 -2.989  1.00 26.14  ? 335 HOH   A O   1 
HETATM 1072 O  O   . HOH   F 5 .   ? 16.556 -29.683 4.645   1.00 34.48  ? 336 HOH   A O   1 
HETATM 1073 O  O   . HOH   F 5 .   ? 31.785 -29.385 -17.098 1.00 34.87  ? 337 HOH   A O   1 
HETATM 1074 O  O   . HOH   F 5 .   ? 21.557 -27.276 -7.050  1.00 25.68  ? 338 HOH   A O   1 
HETATM 1075 O  O   . HOH   F 5 .   ? 32.280 -33.681 -0.644  1.00 33.08  ? 339 HOH   A O   1 
HETATM 1076 O  O   . HOH   F 5 .   ? 37.273 -14.167 1.295   1.00 41.59  ? 340 HOH   A O   1 
HETATM 1077 O  O   . HOH   F 5 .   ? 19.584 -26.904 -20.480 1.00 36.71  ? 341 HOH   A O   1 
HETATM 1078 O  O   . HOH   F 5 .   ? 20.161 -28.371 -9.044  1.00 25.64  ? 342 HOH   A O   1 
HETATM 1079 O  O   . HOH   F 5 .   ? 14.197 -20.196 -0.046  1.00 51.25  ? 343 HOH   A O   1 
HETATM 1080 O  O   . HOH   F 5 .   ? 15.481 -28.003 -0.065  1.00 48.16  ? 344 HOH   A O   1 
HETATM 1081 O  O   . HOH   F 5 .   ? 17.366 -29.055 -1.672  1.00 28.74  ? 345 HOH   A O   1 
HETATM 1082 O  O   . HOH   F 5 .   ? 16.410 -31.391 -2.611  1.00 25.90  ? 346 HOH   A O   1 
HETATM 1083 O  O   . HOH   F 5 .   ? 15.621 -18.646 -9.448  1.00 41.51  ? 347 HOH   A O   1 
HETATM 1084 O  O   . HOH   F 5 .   ? 23.927 -37.366 -13.988 1.00 44.88  ? 348 HOH   A O   1 
HETATM 1085 O  O   . HOH   F 5 .   ? 25.215 -14.437 -9.039  1.00 45.76  ? 349 HOH   A O   1 
HETATM 1086 O  O   . HOH   F 5 .   ? 22.232 -24.647 -9.709  1.00 28.79  ? 350 HOH   A O   1 
HETATM 1087 O  O   . HOH   F 5 .   ? 35.531 -25.146 7.196   1.00 42.73  ? 351 HOH   A O   1 
HETATM 1088 O  O   . HOH   F 5 .   ? 29.232 -28.446 13.748  1.00 56.30  ? 352 HOH   A O   1 
HETATM 1089 O  O   . HOH   F 5 .   ? 31.241 -36.069 -1.295  1.00 40.49  ? 353 HOH   A O   1 
HETATM 1090 O  O   . HOH   F 5 .   ? 22.933 -13.157 -3.118  1.00 38.22  ? 354 HOH   A O   1 
HETATM 1091 O  O   . HOH   F 5 .   ? 36.631 -14.930 -12.139 1.00 26.49  ? 355 HOH   A O   1 
HETATM 1092 O  O   . HOH   F 5 .   ? 18.559 -27.466 9.998   1.00 41.47  ? 356 HOH   A O   1 
HETATM 1093 O  O   . HOH   F 5 .   ? 23.102 -13.959 -6.741  1.00 42.51  ? 357 HOH   A O   1 
HETATM 1094 O  O   . HOH   F 5 .   ? 14.576 -26.092 -1.192  1.00 41.23  ? 358 HOH   A O   1 
HETATM 1095 O  O   . HOH   F 5 .   ? 25.573 -28.974 -21.861 1.00 46.96  ? 359 HOH   A O   1 
HETATM 1096 O  O   . HOH   F 5 .   ? 20.741 -13.320 16.082  1.00 54.67  ? 360 HOH   A O   1 
HETATM 1097 O  O   . HOH   F 5 .   ? 13.513 -24.971 1.621   1.00 55.79  ? 361 HOH   A O   1 
HETATM 1098 O  O   . HOH   F 5 .   ? 14.545 -21.344 -12.218 1.00 27.51  ? 362 HOH   A O   1 
HETATM 1099 O  O   . HOH   F 5 .   ? 33.649 -19.804 -10.005 1.00 51.09  ? 363 HOH   A O   1 
HETATM 1100 O  O   . HOH   F 5 .   ? 19.394 -20.913 4.251   1.00 41.14  ? 364 HOH   A O   1 
HETATM 1101 O  O   . HOH   F 5 .   ? 17.226 -35.337 -15.765 1.00 45.91  ? 365 HOH   A O   1 
HETATM 1102 O  O   . HOH   F 5 .   ? 20.546 -15.224 -4.808  1.00 49.89  ? 366 HOH   A O   1 
HETATM 1103 O  O   . HOH   F 5 .   ? 26.319 -18.970 -10.887 1.00 27.68  ? 367 HOH   A O   1 
HETATM 1104 O  O   . HOH   F 5 .   ? 14.821 -36.406 -10.456 1.00 27.83  ? 368 HOH   A O   1 
HETATM 1105 O  O   . HOH   F 5 .   ? 14.979 -22.158 -7.544  1.00 36.53  ? 369 HOH   A O   1 
HETATM 1106 O  O   . HOH   F 5 .   ? 29.918 -35.516 5.999   1.00 38.96  ? 370 HOH   A O   1 
HETATM 1107 O  O   . HOH   F 5 .   ? 12.505 -32.099 -4.261  1.00 32.79  ? 371 HOH   A O   1 
HETATM 1108 O  O   . HOH   F 5 .   ? 36.800 -22.999 -5.768  1.00 47.88  ? 372 HOH   A O   1 
HETATM 1109 O  O   . HOH   F 5 .   ? 31.382 -21.632 -10.652 1.00 36.93  ? 373 HOH   A O   1 
HETATM 1110 O  O   . HOH   F 5 .   ? 18.516 -20.399 8.028   1.00 48.24  ? 374 HOH   A O   1 
HETATM 1111 O  O   . HOH   F 5 .   ? 13.213 -22.979 0.478   1.00 55.47  ? 375 HOH   A O   1 
HETATM 1112 O  O   . HOH   F 5 .   ? 19.532 -20.645 -17.335 1.00 45.83  ? 376 HOH   A O   1 
HETATM 1113 O  O   . HOH   F 5 .   ? 12.357 -25.074 -4.981  1.00 38.09  ? 377 HOH   A O   1 
HETATM 1114 O  O   . HOH   F 5 .   ? 22.384 -8.789  6.167   1.00 44.77  ? 378 HOH   A O   1 
HETATM 1115 O  O   . HOH   F 5 .   ? 37.802 -14.247 4.180   1.00 48.70  ? 379 HOH   A O   1 
HETATM 1116 O  O   . HOH   F 5 .   ? 33.988 -9.251  17.581  1.00 33.19  ? 380 HOH   A O   1 
HETATM 1117 O  O   . HOH   F 5 .   ? 19.052 -38.350 -8.338  1.00 34.16  ? 381 HOH   A O   1 
HETATM 1118 O  O   . HOH   F 5 .   ? 28.725 -30.169 -11.457 1.00 36.22  ? 382 HOH   A O   1 
HETATM 1119 O  O   . HOH   F 5 .   ? 10.475 -30.945 -2.473  1.00 57.69  ? 383 HOH   A O   1 
HETATM 1120 O  O   . HOH   F 5 .   ? 35.872 -21.149 -6.779  1.00 40.67  ? 384 HOH   A O   1 
HETATM 1121 O  O   . HOH   F 5 .   ? 10.396 -31.772 -6.435  1.00 37.53  ? 385 HOH   A O   1 
HETATM 1122 O  O   . HOH   F 5 .   ? 26.427 -3.015  6.943   1.00 49.35  ? 386 HOH   A O   1 
HETATM 1123 O  O   . HOH   F 5 .   ? 26.182 -10.867 -5.719  1.00 52.78  ? 387 HOH   A O   1 
HETATM 1124 O  O   . HOH   F 5 .   ? 7.091  -34.014 -5.107  1.00 52.62  ? 388 HOH   A O   1 
HETATM 1125 O  O   . HOH   F 5 .   ? 13.791 -35.127 -1.257  1.00 42.00  ? 389 HOH   A O   1 
HETATM 1126 O  O   . HOH   F 5 .   ? 23.441 -38.897 0.076   1.00 55.25  ? 390 HOH   A O   1 
HETATM 1127 O  O   . HOH   F 5 .   ? 28.370 -9.703  16.092  1.00 59.95  ? 391 HOH   A O   1 
HETATM 1128 O  O   . HOH   F 5 .   ? 25.493 -28.688 16.274  1.00 59.64  ? 392 HOH   A O   1 
HETATM 1129 O  O   . HOH   F 5 .   ? 42.191 -19.057 -4.657  1.00 61.05  ? 393 HOH   A O   1 
HETATM 1130 O  O   . HOH   F 5 .   ? 17.158 -10.605 11.747  1.00 49.49  ? 394 HOH   A O   1 
HETATM 1131 O  O   . HOH   F 5 .   ? 16.833 -26.956 8.180   1.00 49.30  ? 395 HOH   A O   1 
HETATM 1132 O  O   . HOH   F 5 .   ? 27.903 -5.621  -3.218  1.00 41.42  ? 396 HOH   A O   1 
HETATM 1133 O  O   . HOH   F 5 .   ? 7.613  -31.994 -3.495  1.00 62.91  ? 397 HOH   A O   1 
HETATM 1134 O  O   . HOH   F 5 .   ? 35.005 -31.148 -16.834 1.00 58.46  ? 398 HOH   A O   1 
HETATM 1135 O  O   . HOH   F 5 .   ? 22.136 -33.189 8.376   1.00 58.40  ? 399 HOH   A O   1 
HETATM 1136 O  O   . HOH   F 5 .   ? 29.450 -13.044 -10.580 1.00 42.72  ? 400 HOH   A O   1 
HETATM 1137 O  O   . HOH   F 5 .   ? 27.367 -9.663  -7.435  1.00 49.17  ? 401 HOH   A O   1 
HETATM 1138 O  O   . HOH   F 5 .   ? 35.690 -27.840 6.558   1.00 43.70  ? 402 HOH   A O   1 
HETATM 1139 O  O   . HOH   F 5 .   ? 42.948 -8.598  5.146   1.00 65.24  ? 403 HOH   A O   1 
HETATM 1140 O  O   . HOH   F 5 .   ? 20.555 -37.555 -14.843 1.00 64.86  ? 404 HOH   A O   1 
HETATM 1141 O  O   . HOH   F 5 .   ? 39.053 -26.950 -9.636  1.00 61.80  ? 405 HOH   A O   1 
HETATM 1142 O  O   . HOH   F 5 .   ? 32.201 -5.262  1.037   1.00 60.94  ? 406 HOH   A O   1 
HETATM 1143 O  O   . HOH   F 5 .   ? 41.395 -5.989  10.392  1.00 60.42  ? 407 HOH   A O   1 
HETATM 1144 O  O   . HOH   F 5 .   ? 11.105 -33.057 -0.071  1.00 65.09  ? 408 HOH   A O   1 
HETATM 1145 O  O   . HOH   F 5 .   ? 40.913 -9.228  12.771  1.00 62.24  ? 409 HOH   A O   1 
HETATM 1146 O  O   . HOH   F 5 .   ? 27.393 -36.911 7.287   1.00 59.56  ? 410 HOH   A O   1 
HETATM 1147 O  O   . HOH   F 5 .   ? 9.828  -27.572 -5.779  1.00 63.55  ? 411 HOH   A O   1 
HETATM 1148 O  O   . HOH   F 5 .   ? 33.794 -31.879 -7.664  1.00 53.56  ? 412 HOH   A O   1 
HETATM 1149 O  O   . HOH   F 5 .   ? 26.090 -18.232 19.275  1.00 56.63  ? 413 HOH   A O   1 
HETATM 1150 O  O   . HOH   F 5 .   ? 26.715 -12.160 -9.903  1.00 44.09  ? 414 HOH   A O   1 
HETATM 1151 O  O   . HOH   F 5 .   ? 29.680 -16.108 -9.562  1.00 53.26  ? 415 HOH   A O   1 
HETATM 1152 O  O   . HOH   F 5 .   ? 37.322 -28.007 -6.533  1.00 53.43  ? 416 HOH   A O   1 
HETATM 1153 O  O   . HOH   F 5 .   ? 24.218 -11.127 -4.430  1.00 57.25  ? 417 HOH   A O   1 
HETATM 1154 O  O   . HOH   F 5 .   ? 17.920 -17.079 2.077   1.00 54.08  ? 418 HOH   A O   1 
HETATM 1155 O  O   . HOH   F 5 .   ? 17.591 -19.081 3.999   1.00 39.70  ? 419 HOH   A O   1 
HETATM 1156 O  O   . HOH   F 5 .   ? 13.681 -31.871 -2.431  1.00 39.79  ? 420 HOH   A O   1 
HETATM 1157 O  O   . HOH   F 5 .   ? 40.980 -7.162  13.736  1.00 43.23  ? 421 HOH   A O   1 
HETATM 1158 O  O   . HOH   F 5 .   ? 37.874 -19.379 -5.268  1.00 47.77  ? 422 HOH   A O   1 
HETATM 1159 O  O   . HOH   F 5 .   ? 12.036 -42.345 -5.509  1.00 50.29  ? 423 HOH   A O   1 
HETATM 1160 O  O   . HOH   F 5 .   ? 37.939 -20.724 -9.195  1.00 58.04  ? 424 HOH   A O   1 
HETATM 1161 O  O   . HOH   F 5 .   ? 32.118 -17.012 -10.687 1.00 49.16  ? 425 HOH   A O   1 
HETATM 1162 O  O   . HOH   F 5 .   ? 32.231 -31.658 -10.175 1.00 49.53  ? 426 HOH   A O   1 
HETATM 1163 O  O   . HOH   F 5 .   ? 21.806 -31.609 10.682  1.00 70.34  ? 427 HOH   A O   1 
HETATM 1164 O  O   . HOH   F 5 .   ? 15.084 -19.652 -6.223  1.00 43.56  ? 428 HOH   A O   1 
HETATM 1165 O  O   . HOH   F 5 .   ? 16.828 -10.551 4.918   1.00 67.68  ? 429 HOH   A O   1 
HETATM 1166 O  O   . HOH   F 5 .   ? 28.373 -18.517 19.073  1.00 67.17  ? 430 HOH   A O   1 
HETATM 1167 O  O   . HOH   F 5 .   ? 31.270 -33.170 7.577   1.00 56.32  ? 431 HOH   A O   1 
HETATM 1168 O  O   . HOH   F 5 .   ? 34.607 -31.570 -4.777  1.00 38.09  ? 432 HOH   A O   1 
HETATM 1169 O  O   . HOH   F 5 .   ? 26.685 -16.362 -10.167 1.00 46.35  ? 433 HOH   A O   1 
HETATM 1170 O  O   . HOH   F 5 .   ? 34.320 -30.027 7.507   1.00 50.73  ? 434 HOH   A O   1 
HETATM 1171 O  O   . HOH   F 5 .   ? 16.360 -17.431 -0.053  1.00 42.22  ? 435 HOH   A O   1 
HETATM 1172 O  O   . HOH   F 5 .   ? 37.396 -9.604  1.805   1.00 62.22  ? 436 HOH   A O   1 
HETATM 1173 O  O   . HOH   F 5 .   ? 36.070 -7.938  2.773   1.00 55.80  ? 437 HOH   A O   1 
HETATM 1174 O  O   . HOH   F 5 .   ? 29.798 -18.128 -11.398 1.00 48.74  ? 438 HOH   A O   1 
HETATM 1175 O  O   . HOH   F 5 .   ? 23.065 -39.950 -10.306 0.50 58.95  ? 439 HOH   A O   1 
# 
