data_9HH8
# 
_entry.id   9HH8 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.403 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   9HH8         pdb_00009hh8 10.2210/pdb9hh8/pdb 
WWPDB D_1292143284 ?            ?                   
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
_pdbx_audit_revision_history.part_number 
1 'Structure model' 1 0 2025-04-02 ? 
2 'Structure model' 1 1 2025-04-16 ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_audit_revision_group.ordinal             1 
_pdbx_audit_revision_group.revision_ordinal    2 
_pdbx_audit_revision_group.data_content_type   'Structure model' 
_pdbx_audit_revision_group.group               'Database references' 
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1 2 'Structure model' citation        
2 2 'Structure model' citation_author 
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1 2 'Structure model' '_citation.page_first'              
2 2 'Structure model' '_citation.page_last'               
3 2 'Structure model' '_citation.title'                   
4 2 'Structure model' '_citation_author.identifier_ORCID' 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9HH8 
_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            ? 
_citation.language                  ? 
_citation.page_first                e2500024 
_citation.page_last                 e2500024 
_citation.title                     
'A Novel Inhibitor against the Bromodomain Protein 1 of the Malaria Pathogen Plasmodium Falciparum.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1002/cmdc.202500024 
_citation.pdbx_database_id_PubMed   40099623 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Amann, M.'        1  0000-0001-7594-3810 
primary 'Warstat, R.'      2  ?                   
primary 'Rechten, K.K.'    3  ?                   
primary 'Theuer, P.'       4  ?                   
primary 'Schustereder, M.' 5  ?                   
primary 'Clavey, S.'       6  ?                   
primary 'Breit, B.'        7  0000-0002-2514-3898 
primary 'Einsle, O.'       8  0000-0001-8722-2893 
primary 'Hugle, M.'        9  0000-0002-2830-7130 
primary 'Petter, M.'       10 0000-0002-1837-2756 
primary 'Gunther, S.'      11 0000-0003-3744-189X 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'Bromo domain-containing protein'                                                                  15163.188 1   
? ? ? ? 
2 non-polymer syn 'SULFATE ION'                                                                                      96.063    2   
? ? ? ? 
3 non-polymer syn 'CHLORIDE ION'                                                                                     35.453    1   
? ? ? ? 
4 non-polymer nat '3-methyl-4-(3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-1-yl)benzamide' 296.364   1   
? ? ? ? 
5 water       nat water                                                                                              18.015    134 
? ? ? ? 
# 
_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 'CHLORIDE ION'                                                                                     CL    
4 '3-methyl-4-(3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-1-yl)benzamide' A1IUW 
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 
A1IUW non-polymer         . '3-methyl-4-(3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-1-yl)benzamide' ? 
'C18 H20 N2 O2'  296.364 
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 ?   ?   ?   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        A1IUW 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1IUW 
_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 CL    1   203 1   CL    CL  A . 
E 4 A1IUW 1   204 1   A1IUW RWA A . 
F 5 HOH   1   301 140 HOH   HOH A . 
F 5 HOH   2   302 88  HOH   HOH A . 
F 5 HOH   3   303 25  HOH   HOH A . 
F 5 HOH   4   304 98  HOH   HOH A . 
F 5 HOH   5   305 110 HOH   HOH A . 
F 5 HOH   6   306 94  HOH   HOH A . 
F 5 HOH   7   307 127 HOH   HOH A . 
F 5 HOH   8   308 67  HOH   HOH A . 
F 5 HOH   9   309 28  HOH   HOH A . 
F 5 HOH   10  310 102 HOH   HOH A . 
F 5 HOH   11  311 11  HOH   HOH A . 
F 5 HOH   12  312 103 HOH   HOH A . 
F 5 HOH   13  313 14  HOH   HOH A . 
F 5 HOH   14  314 64  HOH   HOH A . 
F 5 HOH   15  315 33  HOH   HOH A . 
F 5 HOH   16  316 39  HOH   HOH A . 
F 5 HOH   17  317 9   HOH   HOH A . 
F 5 HOH   18  318 57  HOH   HOH A . 
F 5 HOH   19  319 49  HOH   HOH A . 
F 5 HOH   20  320 52  HOH   HOH A . 
F 5 HOH   21  321 34  HOH   HOH A . 
F 5 HOH   22  322 85  HOH   HOH A . 
F 5 HOH   23  323 15  HOH   HOH A . 
F 5 HOH   24  324 23  HOH   HOH A . 
F 5 HOH   25  325 59  HOH   HOH A . 
F 5 HOH   26  326 89  HOH   HOH A . 
F 5 HOH   27  327 10  HOH   HOH A . 
F 5 HOH   28  328 44  HOH   HOH A . 
F 5 HOH   29  329 5   HOH   HOH A . 
F 5 HOH   30  330 104 HOH   HOH A . 
F 5 HOH   31  331 1   HOH   HOH A . 
F 5 HOH   32  332 6   HOH   HOH A . 
F 5 HOH   33  333 99  HOH   HOH A . 
F 5 HOH   34  334 17  HOH   HOH A . 
F 5 HOH   35  335 29  HOH   HOH A . 
F 5 HOH   36  336 87  HOH   HOH A . 
F 5 HOH   37  337 24  HOH   HOH A . 
F 5 HOH   38  338 22  HOH   HOH A . 
F 5 HOH   39  339 121 HOH   HOH A . 
F 5 HOH   40  340 2   HOH   HOH A . 
F 5 HOH   41  341 83  HOH   HOH A . 
F 5 HOH   42  342 16  HOH   HOH A . 
F 5 HOH   43  343 38  HOH   HOH A . 
F 5 HOH   44  344 20  HOH   HOH A . 
F 5 HOH   45  345 8   HOH   HOH A . 
F 5 HOH   46  346 70  HOH   HOH A . 
F 5 HOH   47  347 56  HOH   HOH A . 
F 5 HOH   48  348 13  HOH   HOH A . 
F 5 HOH   49  349 42  HOH   HOH A . 
F 5 HOH   50  350 134 HOH   HOH A . 
F 5 HOH   51  351 41  HOH   HOH A . 
F 5 HOH   52  352 30  HOH   HOH A . 
F 5 HOH   53  353 45  HOH   HOH A . 
F 5 HOH   54  354 32  HOH   HOH A . 
F 5 HOH   55  355 31  HOH   HOH A . 
F 5 HOH   56  356 129 HOH   HOH A . 
F 5 HOH   57  357 4   HOH   HOH A . 
F 5 HOH   58  358 3   HOH   HOH A . 
F 5 HOH   59  359 7   HOH   HOH A . 
F 5 HOH   60  360 95  HOH   HOH A . 
F 5 HOH   61  361 12  HOH   HOH A . 
F 5 HOH   62  362 143 HOH   HOH A . 
F 5 HOH   63  363 126 HOH   HOH A . 
F 5 HOH   64  364 19  HOH   HOH A . 
F 5 HOH   65  365 21  HOH   HOH A . 
F 5 HOH   66  366 47  HOH   HOH A . 
F 5 HOH   67  367 18  HOH   HOH A . 
F 5 HOH   68  368 43  HOH   HOH A . 
F 5 HOH   69  369 60  HOH   HOH A . 
F 5 HOH   70  370 61  HOH   HOH A . 
F 5 HOH   71  371 80  HOH   HOH A . 
F 5 HOH   72  372 71  HOH   HOH A . 
F 5 HOH   73  373 77  HOH   HOH A . 
F 5 HOH   74  374 97  HOH   HOH A . 
F 5 HOH   75  375 144 HOH   HOH A . 
F 5 HOH   76  376 37  HOH   HOH A . 
F 5 HOH   77  377 27  HOH   HOH A . 
F 5 HOH   78  378 51  HOH   HOH A . 
F 5 HOH   79  379 82  HOH   HOH A . 
F 5 HOH   80  380 92  HOH   HOH A . 
F 5 HOH   81  381 84  HOH   HOH A . 
F 5 HOH   82  382 26  HOH   HOH A . 
F 5 HOH   83  383 50  HOH   HOH A . 
F 5 HOH   84  384 123 HOH   HOH A . 
F 5 HOH   85  385 91  HOH   HOH A . 
F 5 HOH   86  386 66  HOH   HOH A . 
F 5 HOH   87  387 58  HOH   HOH A . 
F 5 HOH   88  388 46  HOH   HOH A . 
F 5 HOH   89  389 75  HOH   HOH A . 
F 5 HOH   90  390 74  HOH   HOH A . 
F 5 HOH   91  391 65  HOH   HOH A . 
F 5 HOH   92  392 69  HOH   HOH A . 
F 5 HOH   93  393 35  HOH   HOH A . 
F 5 HOH   94  394 147 HOH   HOH A . 
F 5 HOH   95  395 145 HOH   HOH A . 
F 5 HOH   96  396 128 HOH   HOH A . 
F 5 HOH   97  397 124 HOH   HOH A . 
F 5 HOH   98  398 109 HOH   HOH A . 
F 5 HOH   99  399 125 HOH   HOH A . 
F 5 HOH   100 400 81  HOH   HOH A . 
F 5 HOH   101 401 100 HOH   HOH A . 
F 5 HOH   102 402 130 HOH   HOH A . 
F 5 HOH   103 403 111 HOH   HOH A . 
F 5 HOH   104 404 135 HOH   HOH A . 
F 5 HOH   105 405 113 HOH   HOH A . 
F 5 HOH   106 406 73  HOH   HOH A . 
F 5 HOH   107 407 36  HOH   HOH A . 
F 5 HOH   108 408 63  HOH   HOH A . 
F 5 HOH   109 409 90  HOH   HOH A . 
F 5 HOH   110 410 138 HOH   HOH A . 
F 5 HOH   111 411 118 HOH   HOH A . 
F 5 HOH   112 412 131 HOH   HOH A . 
F 5 HOH   113 413 108 HOH   HOH A . 
F 5 HOH   114 414 76  HOH   HOH A . 
F 5 HOH   115 415 112 HOH   HOH A . 
F 5 HOH   116 416 93  HOH   HOH A . 
F 5 HOH   117 417 114 HOH   HOH A . 
F 5 HOH   118 418 136 HOH   HOH A . 
F 5 HOH   119 419 107 HOH   HOH A . 
F 5 HOH   120 420 78  HOH   HOH A . 
F 5 HOH   121 421 48  HOH   HOH A . 
F 5 HOH   122 422 141 HOH   HOH A . 
F 5 HOH   123 423 40  HOH   HOH A . 
F 5 HOH   124 424 122 HOH   HOH A . 
F 5 HOH   125 425 119 HOH   HOH A . 
F 5 HOH   126 426 53  HOH   HOH A . 
F 5 HOH   127 427 139 HOH   HOH A . 
F 5 HOH   128 428 146 HOH   HOH A . 
F 5 HOH   129 429 62  HOH   HOH A . 
F 5 HOH   130 430 142 HOH   HOH A . 
F 5 HOH   131 431 120 HOH   HOH A . 
F 5 HOH   132 432 137 HOH   HOH A . 
F 5 HOH   133 433 133 HOH   HOH A . 
F 5 HOH   134 434 116 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 19  ? CD  ? A LYS 19  CD  
2  1 Y 1 A LYS 19  ? CE  ? A LYS 19  CE  
3  1 Y 1 A LYS 19  ? NZ  ? A LYS 19  NZ  
4  1 Y 1 A LYS 33  ? CE  ? A LYS 33  CE  
5  1 Y 1 A LYS 33  ? NZ  ? A LYS 33  NZ  
6  1 Y 1 A LYS 34  ? CD  ? A LYS 34  CD  
7  1 Y 1 A LYS 34  ? CE  ? A LYS 34  CE  
8  1 Y 1 A LYS 34  ? NZ  ? A LYS 34  NZ  
9  1 Y 1 A LYS 115 ? CE  ? A LYS 115 CE  
10 1 Y 1 A LYS 115 ? NZ  ? A LYS 115 NZ  
11 1 Y 1 A THR 118 ? CG2 ? A THR 118 CG2 
# 
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                     9HH8 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     92.883 
_cell.length_a_esd                 ? 
_cell.length_b                     92.883 
_cell.length_b_esd                 ? 
_cell.length_c                     70.497 
_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                         9HH8 
_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                   9HH8 
_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             2.89 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          57.51 
_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, 0.4 M LiSO4, Tris pH 7.5' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            277 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER X 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         2022-06-23 
_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   0.999987 
_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        0.999987 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   X06SA 
_diffrn_source.pdbx_synchrotron_site       SLS 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9HH8 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.61 
_reflns.d_resolution_low                               46.44 
_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                                     23916 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           99.9 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                39.1 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          34.4 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               0.99 
_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                                0.064 
_reflns.pdbx_Rpim_I_all                                0.010 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_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                              0.063 
_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                                    1.61 
_reflns_shell.d_res_low                                     1.63 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           41678 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1122 
_reflns_shell.percent_possible_obs                          98.3 
_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                               37.1 
_reflns_shell.pdbx_chi_squared                              0.96 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     1.5 
_reflns_shell.pdbx_Rrim_I_all                               3.135 
_reflns_shell.pdbx_Rpim_I_all                               0.506 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.854 
_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                                  3.092 
_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                                 9HH8 
_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                            1.61 
_refine.ls_d_res_low                             46.44 
_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                     23856 
_refine.ls_number_reflns_R_free                  1177 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.75 
_refine.ls_percent_reflns_R_free                 4.93 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1940 
_refine.ls_R_factor_R_free                       0.2160 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1928 
_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                          1.34 
_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                 31.66 
_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                            0.20 
_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                       1.61 
_refine_hist.d_res_low                        46.44 
_refine_hist.number_atoms_solvent             134 
_refine_hist.number_atoms_total               1119 
_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        952 
_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' ? 0.015  ? 1030 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.142  ? 1404 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 13.936 ? 380  ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.068  ? 150  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.008  ? 196  ? 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' 1.61 1.68  . . 151 2735 99.00  . . . . 0.3159 . . . . . . . . . . . 0.3322 
'X-RAY DIFFRACTION' 1.68 1.77  . . 138 2789 100.00 . . . . 0.2760 . . . . . . . . . . . 0.3564 
'X-RAY DIFFRACTION' 1.77 1.88  . . 146 2784 100.00 . . . . 0.2866 . . . . . . . . . . . 0.3422 
'X-RAY DIFFRACTION' 1.88 2.02  . . 147 2793 100.00 . . . . 0.2393 . . . . . . . . . . . 0.2895 
'X-RAY DIFFRACTION' 2.02 2.23  . . 150 2800 100.00 . . . . 0.2095 . . . . . . . . . . . 0.2286 
'X-RAY DIFFRACTION' 2.23 2.55  . . 143 2842 100.00 . . . . 0.2075 . . . . . . . . . . . 0.2688 
'X-RAY DIFFRACTION' 2.55 3.21  . . 151 2877 100.00 . . . . 0.1996 . . . . . . . . . . . 0.2262 
'X-RAY DIFFRACTION' 3.21 46.44 . . 151 3059 100.00 . . . . 0.1582 . . . . . . . . . . . 0.1590 
# 
_struct.entry_id                     9HH8 
_struct.title                        'Crystal Structure of the Plasmodium vivax Bromodomain PvBDP1 in complex with RMM23' 
_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        9HH8 
_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              9HH8 
_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 9HH8 SER A 1   ? UNP A5KDW3 ? ? 'expression tag' 1   1 
1 9HH8 LEU A 131 ? UNP A5KDW3 ? ? 'expression tag' 131 2 
1 9HH8 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)' 320  ? 
1 MORE         -22  ? 
1 'SSA (A^2)'  7100 ? 
# 
_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                   9HH8 
_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   OE1 
_pdbx_validate_close_contact.auth_asym_id_1   A 
_pdbx_validate_close_contact.auth_comp_id_1   GLN 
_pdbx_validate_close_contact.auth_seq_id_1    35 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   B 
_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    301 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             2.05 
# 
loop_
_pdbx_validate_symm_contact.id 
_pdbx_validate_symm_contact.PDB_model_num 
_pdbx_validate_symm_contact.auth_atom_id_1 
_pdbx_validate_symm_contact.auth_asym_id_1 
_pdbx_validate_symm_contact.auth_comp_id_1 
_pdbx_validate_symm_contact.auth_seq_id_1 
_pdbx_validate_symm_contact.PDB_ins_code_1 
_pdbx_validate_symm_contact.label_alt_id_1 
_pdbx_validate_symm_contact.site_symmetry_1 
_pdbx_validate_symm_contact.auth_atom_id_2 
_pdbx_validate_symm_contact.auth_asym_id_2 
_pdbx_validate_symm_contact.auth_comp_id_2 
_pdbx_validate_symm_contact.auth_seq_id_2 
_pdbx_validate_symm_contact.PDB_ins_code_2 
_pdbx_validate_symm_contact.label_alt_id_2 
_pdbx_validate_symm_contact.site_symmetry_2 
_pdbx_validate_symm_contact.dist 
1 1 O A HOH 434 ? ? 1_555 O A HOH 434 ? ? 4_545  2.01 
2 1 O A HOH 402 ? ? 1_555 O A HOH 402 ? ? 4_545  2.03 
3 1 O A HOH 433 ? ? 1_555 O A HOH 433 ? ? 10_554 2.07 
# 
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 GLU 121 ? A GLU 121 
2  1 Y 1 A ARG 122 ? A ARG 122 
3  1 Y 1 A LEU 123 ? A LEU 123 
4  1 Y 1 A GLN 124 ? A GLN 124 
5  1 Y 1 A LYS 125 ? A LYS 125 
6  1 Y 1 A VAL 126 ? A VAL 126 
7  1 Y 1 A GLU 127 ? A GLU 127 
8  1 Y 1 A ASP 128 ? A ASP 128 
9  1 Y 1 A GLU 129 ? A GLU 129 
10 1 Y 1 A ASN 130 ? A ASN 130 
11 1 Y 1 A LEU 131 ? A LEU 131 
12 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 
A1IUW N1   N  Y N 1   
A1IUW C4   C  Y N 2   
A1IUW C5   C  Y N 3   
A1IUW C6   C  Y N 4   
A1IUW C7   C  Y N 5   
A1IUW C8   C  Y N 6   
A1IUW C10  C  Y N 7   
A1IUW C13  C  Y N 8   
A1IUW C15  C  N N 9   
A1IUW N    N  N N 10  
A1IUW C    C  N N 11  
A1IUW O    O  N N 12  
A1IUW C1   C  N N 13  
A1IUW C11  C  N N 14  
A1IUW C12  C  N N 15  
A1IUW C14  C  Y N 16  
A1IUW C2   C  N N 17  
A1IUW C3   C  Y N 18  
A1IUW C9   C  Y N 19  
A1IUW O1   O  N N 20  
A1IUW C16  C  N N 21  
A1IUW C17  C  N N 22  
A1IUW HN1  H  N N 23  
A1IUW H8   H  N N 24  
A1IUW H10  H  N N 25  
A1IUW H    H  N N 26  
A1IUW H1   H  N N 27  
A1IUW H3   H  N N 28  
A1IUW H2   H  N N 29  
A1IUW H4   H  N N 30  
A1IUW H5   H  N N 31  
A1IUW H11  H  N N 32  
A1IUW H13  H  N N 33  
A1IUW H12  H  N N 34  
A1IUW H6   H  N N 35  
A1IUW H7   H  N N 36  
A1IUW H9   H  N N 37  
A1IUW H14  H  N N 38  
A1IUW H15  H  N N 39  
A1IUW H17  H  N N 40  
A1IUW H18  H  N N 41  
A1IUW H16  H  N N 42  
ALA   N    N  N N 43  
ALA   CA   C  N S 44  
ALA   C    C  N N 45  
ALA   O    O  N N 46  
ALA   CB   C  N N 47  
ALA   OXT  O  N N 48  
ALA   H    H  N N 49  
ALA   H2   H  N N 50  
ALA   HA   H  N N 51  
ALA   HB1  H  N N 52  
ALA   HB2  H  N N 53  
ALA   HB3  H  N N 54  
ALA   HXT  H  N N 55  
ARG   N    N  N N 56  
ARG   CA   C  N S 57  
ARG   C    C  N N 58  
ARG   O    O  N N 59  
ARG   CB   C  N N 60  
ARG   CG   C  N N 61  
ARG   CD   C  N N 62  
ARG   NE   N  N N 63  
ARG   CZ   C  N N 64  
ARG   NH1  N  N N 65  
ARG   NH2  N  N N 66  
ARG   OXT  O  N N 67  
ARG   H    H  N N 68  
ARG   H2   H  N N 69  
ARG   HA   H  N N 70  
ARG   HB2  H  N N 71  
ARG   HB3  H  N N 72  
ARG   HG2  H  N N 73  
ARG   HG3  H  N N 74  
ARG   HD2  H  N N 75  
ARG   HD3  H  N N 76  
ARG   HE   H  N N 77  
ARG   HH11 H  N N 78  
ARG   HH12 H  N N 79  
ARG   HH21 H  N N 80  
ARG   HH22 H  N N 81  
ARG   HXT  H  N N 82  
ASN   N    N  N N 83  
ASN   CA   C  N S 84  
ASN   C    C  N N 85  
ASN   O    O  N N 86  
ASN   CB   C  N N 87  
ASN   CG   C  N N 88  
ASN   OD1  O  N N 89  
ASN   ND2  N  N N 90  
ASN   OXT  O  N N 91  
ASN   H    H  N N 92  
ASN   H2   H  N N 93  
ASN   HA   H  N N 94  
ASN   HB2  H  N N 95  
ASN   HB3  H  N N 96  
ASN   HD21 H  N N 97  
ASN   HD22 H  N N 98  
ASN   HXT  H  N N 99  
ASP   N    N  N N 100 
ASP   CA   C  N S 101 
ASP   C    C  N N 102 
ASP   O    O  N N 103 
ASP   CB   C  N N 104 
ASP   CG   C  N N 105 
ASP   OD1  O  N N 106 
ASP   OD2  O  N N 107 
ASP   OXT  O  N N 108 
ASP   H    H  N N 109 
ASP   H2   H  N N 110 
ASP   HA   H  N N 111 
ASP   HB2  H  N N 112 
ASP   HB3  H  N N 113 
ASP   HD2  H  N N 114 
ASP   HXT  H  N N 115 
CL    CL   CL N N 116 
CYS   N    N  N N 117 
CYS   CA   C  N R 118 
CYS   C    C  N N 119 
CYS   O    O  N N 120 
CYS   CB   C  N N 121 
CYS   SG   S  N N 122 
CYS   OXT  O  N N 123 
CYS   H    H  N N 124 
CYS   H2   H  N N 125 
CYS   HA   H  N N 126 
CYS   HB2  H  N N 127 
CYS   HB3  H  N N 128 
CYS   HG   H  N N 129 
CYS   HXT  H  N N 130 
GLN   N    N  N N 131 
GLN   CA   C  N S 132 
GLN   C    C  N N 133 
GLN   O    O  N N 134 
GLN   CB   C  N N 135 
GLN   CG   C  N N 136 
GLN   CD   C  N N 137 
GLN   OE1  O  N N 138 
GLN   NE2  N  N N 139 
GLN   OXT  O  N N 140 
GLN   H    H  N N 141 
GLN   H2   H  N N 142 
GLN   HA   H  N N 143 
GLN   HB2  H  N N 144 
GLN   HB3  H  N N 145 
GLN   HG2  H  N N 146 
GLN   HG3  H  N N 147 
GLN   HE21 H  N N 148 
GLN   HE22 H  N N 149 
GLN   HXT  H  N N 150 
GLU   N    N  N N 151 
GLU   CA   C  N S 152 
GLU   C    C  N N 153 
GLU   O    O  N N 154 
GLU   CB   C  N N 155 
GLU   CG   C  N N 156 
GLU   CD   C  N N 157 
GLU   OE1  O  N N 158 
GLU   OE2  O  N N 159 
GLU   OXT  O  N N 160 
GLU   H    H  N N 161 
GLU   H2   H  N N 162 
GLU   HA   H  N N 163 
GLU   HB2  H  N N 164 
GLU   HB3  H  N N 165 
GLU   HG2  H  N N 166 
GLU   HG3  H  N N 167 
GLU   HE2  H  N N 168 
GLU   HXT  H  N N 169 
GLY   N    N  N N 170 
GLY   CA   C  N N 171 
GLY   C    C  N N 172 
GLY   O    O  N N 173 
GLY   OXT  O  N N 174 
GLY   H    H  N N 175 
GLY   H2   H  N N 176 
GLY   HA2  H  N N 177 
GLY   HA3  H  N N 178 
GLY   HXT  H  N N 179 
HIS   N    N  N N 180 
HIS   CA   C  N S 181 
HIS   C    C  N N 182 
HIS   O    O  N N 183 
HIS   CB   C  N N 184 
HIS   CG   C  Y N 185 
HIS   ND1  N  Y N 186 
HIS   CD2  C  Y N 187 
HIS   CE1  C  Y N 188 
HIS   NE2  N  Y N 189 
HIS   OXT  O  N N 190 
HIS   H    H  N N 191 
HIS   H2   H  N N 192 
HIS   HA   H  N N 193 
HIS   HB2  H  N N 194 
HIS   HB3  H  N N 195 
HIS   HD1  H  N N 196 
HIS   HD2  H  N N 197 
HIS   HE1  H  N N 198 
HIS   HE2  H  N N 199 
HIS   HXT  H  N N 200 
HOH   O    O  N N 201 
HOH   H1   H  N N 202 
HOH   H2   H  N N 203 
ILE   N    N  N N 204 
ILE   CA   C  N S 205 
ILE   C    C  N N 206 
ILE   O    O  N N 207 
ILE   CB   C  N S 208 
ILE   CG1  C  N N 209 
ILE   CG2  C  N N 210 
ILE   CD1  C  N N 211 
ILE   OXT  O  N N 212 
ILE   H    H  N N 213 
ILE   H2   H  N N 214 
ILE   HA   H  N N 215 
ILE   HB   H  N N 216 
ILE   HG12 H  N N 217 
ILE   HG13 H  N N 218 
ILE   HG21 H  N N 219 
ILE   HG22 H  N N 220 
ILE   HG23 H  N N 221 
ILE   HD11 H  N N 222 
ILE   HD12 H  N N 223 
ILE   HD13 H  N N 224 
ILE   HXT  H  N N 225 
LEU   N    N  N N 226 
LEU   CA   C  N S 227 
LEU   C    C  N N 228 
LEU   O    O  N N 229 
LEU   CB   C  N N 230 
LEU   CG   C  N N 231 
LEU   CD1  C  N N 232 
LEU   CD2  C  N N 233 
LEU   OXT  O  N N 234 
LEU   H    H  N N 235 
LEU   H2   H  N N 236 
LEU   HA   H  N N 237 
LEU   HB2  H  N N 238 
LEU   HB3  H  N N 239 
LEU   HG   H  N N 240 
LEU   HD11 H  N N 241 
LEU   HD12 H  N N 242 
LEU   HD13 H  N N 243 
LEU   HD21 H  N N 244 
LEU   HD22 H  N N 245 
LEU   HD23 H  N N 246 
LEU   HXT  H  N N 247 
LYS   N    N  N N 248 
LYS   CA   C  N S 249 
LYS   C    C  N N 250 
LYS   O    O  N N 251 
LYS   CB   C  N N 252 
LYS   CG   C  N N 253 
LYS   CD   C  N N 254 
LYS   CE   C  N N 255 
LYS   NZ   N  N N 256 
LYS   OXT  O  N N 257 
LYS   H    H  N N 258 
LYS   H2   H  N N 259 
LYS   HA   H  N N 260 
LYS   HB2  H  N N 261 
LYS   HB3  H  N N 262 
LYS   HG2  H  N N 263 
LYS   HG3  H  N N 264 
LYS   HD2  H  N N 265 
LYS   HD3  H  N N 266 
LYS   HE2  H  N N 267 
LYS   HE3  H  N N 268 
LYS   HZ1  H  N N 269 
LYS   HZ2  H  N N 270 
LYS   HZ3  H  N N 271 
LYS   HXT  H  N N 272 
MET   N    N  N N 273 
MET   CA   C  N S 274 
MET   C    C  N N 275 
MET   O    O  N N 276 
MET   CB   C  N N 277 
MET   CG   C  N N 278 
MET   SD   S  N N 279 
MET   CE   C  N N 280 
MET   OXT  O  N N 281 
MET   H    H  N N 282 
MET   H2   H  N N 283 
MET   HA   H  N N 284 
MET   HB2  H  N N 285 
MET   HB3  H  N N 286 
MET   HG2  H  N N 287 
MET   HG3  H  N N 288 
MET   HE1  H  N N 289 
MET   HE2  H  N N 290 
MET   HE3  H  N N 291 
MET   HXT  H  N N 292 
PHE   N    N  N N 293 
PHE   CA   C  N S 294 
PHE   C    C  N N 295 
PHE   O    O  N N 296 
PHE   CB   C  N N 297 
PHE   CG   C  Y N 298 
PHE   CD1  C  Y N 299 
PHE   CD2  C  Y N 300 
PHE   CE1  C  Y N 301 
PHE   CE2  C  Y N 302 
PHE   CZ   C  Y N 303 
PHE   OXT  O  N N 304 
PHE   H    H  N N 305 
PHE   H2   H  N N 306 
PHE   HA   H  N N 307 
PHE   HB2  H  N N 308 
PHE   HB3  H  N N 309 
PHE   HD1  H  N N 310 
PHE   HD2  H  N N 311 
PHE   HE1  H  N N 312 
PHE   HE2  H  N N 313 
PHE   HZ   H  N N 314 
PHE   HXT  H  N N 315 
PRO   N    N  N N 316 
PRO   CA   C  N S 317 
PRO   C    C  N N 318 
PRO   O    O  N N 319 
PRO   CB   C  N N 320 
PRO   CG   C  N N 321 
PRO   CD   C  N N 322 
PRO   OXT  O  N N 323 
PRO   H    H  N N 324 
PRO   HA   H  N N 325 
PRO   HB2  H  N N 326 
PRO   HB3  H  N N 327 
PRO   HG2  H  N N 328 
PRO   HG3  H  N N 329 
PRO   HD2  H  N N 330 
PRO   HD3  H  N N 331 
PRO   HXT  H  N N 332 
SER   N    N  N N 333 
SER   CA   C  N S 334 
SER   C    C  N N 335 
SER   O    O  N N 336 
SER   CB   C  N N 337 
SER   OG   O  N N 338 
SER   OXT  O  N N 339 
SER   H    H  N N 340 
SER   H2   H  N N 341 
SER   HA   H  N N 342 
SER   HB2  H  N N 343 
SER   HB3  H  N N 344 
SER   HG   H  N N 345 
SER   HXT  H  N N 346 
SO4   S    S  N N 347 
SO4   O1   O  N N 348 
SO4   O2   O  N N 349 
SO4   O3   O  N N 350 
SO4   O4   O  N N 351 
THR   N    N  N N 352 
THR   CA   C  N S 353 
THR   C    C  N N 354 
THR   O    O  N N 355 
THR   CB   C  N R 356 
THR   OG1  O  N N 357 
THR   CG2  C  N N 358 
THR   OXT  O  N N 359 
THR   H    H  N N 360 
THR   H2   H  N N 361 
THR   HA   H  N N 362 
THR   HB   H  N N 363 
THR   HG1  H  N N 364 
THR   HG21 H  N N 365 
THR   HG22 H  N N 366 
THR   HG23 H  N N 367 
THR   HXT  H  N N 368 
TRP   N    N  N N 369 
TRP   CA   C  N S 370 
TRP   C    C  N N 371 
TRP   O    O  N N 372 
TRP   CB   C  N N 373 
TRP   CG   C  Y N 374 
TRP   CD1  C  Y N 375 
TRP   CD2  C  Y N 376 
TRP   NE1  N  Y N 377 
TRP   CE2  C  Y N 378 
TRP   CE3  C  Y N 379 
TRP   CZ2  C  Y N 380 
TRP   CZ3  C  Y N 381 
TRP   CH2  C  Y N 382 
TRP   OXT  O  N N 383 
TRP   H    H  N N 384 
TRP   H2   H  N N 385 
TRP   HA   H  N N 386 
TRP   HB2  H  N N 387 
TRP   HB3  H  N N 388 
TRP   HD1  H  N N 389 
TRP   HE1  H  N N 390 
TRP   HE3  H  N N 391 
TRP   HZ2  H  N N 392 
TRP   HZ3  H  N N 393 
TRP   HH2  H  N N 394 
TRP   HXT  H  N N 395 
TYR   N    N  N N 396 
TYR   CA   C  N S 397 
TYR   C    C  N N 398 
TYR   O    O  N N 399 
TYR   CB   C  N N 400 
TYR   CG   C  Y N 401 
TYR   CD1  C  Y N 402 
TYR   CD2  C  Y N 403 
TYR   CE1  C  Y N 404 
TYR   CE2  C  Y N 405 
TYR   CZ   C  Y N 406 
TYR   OH   O  N N 407 
TYR   OXT  O  N N 408 
TYR   H    H  N N 409 
TYR   H2   H  N N 410 
TYR   HA   H  N N 411 
TYR   HB2  H  N N 412 
TYR   HB3  H  N N 413 
TYR   HD1  H  N N 414 
TYR   HD2  H  N N 415 
TYR   HE1  H  N N 416 
TYR   HE2  H  N N 417 
TYR   HH   H  N N 418 
TYR   HXT  H  N N 419 
VAL   N    N  N N 420 
VAL   CA   C  N S 421 
VAL   C    C  N N 422 
VAL   O    O  N N 423 
VAL   CB   C  N N 424 
VAL   CG1  C  N N 425 
VAL   CG2  C  N N 426 
VAL   OXT  O  N N 427 
VAL   H    H  N N 428 
VAL   H2   H  N N 429 
VAL   HA   H  N N 430 
VAL   HB   H  N N 431 
VAL   HG11 H  N N 432 
VAL   HG12 H  N N 433 
VAL   HG13 H  N N 434 
VAL   HG21 H  N N 435 
VAL   HG22 H  N N 436 
VAL   HG23 H  N N 437 
VAL   HXT  H  N N 438 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
A1IUW C   C1   sing N N 1   
A1IUW C1  C2   sing N N 2   
A1IUW C2  C3   sing N N 3   
A1IUW C3  C4   doub Y N 4   
A1IUW C5  C4   sing N N 5   
A1IUW C5  C6   doub Y N 6   
A1IUW C6  C7   sing Y N 7   
A1IUW C7  C8   doub Y N 8   
A1IUW C8  C9   sing Y N 9   
A1IUW C9  C10  doub Y N 10  
A1IUW C10 C5   sing Y N 11  
A1IUW C11 C8   sing N N 12  
A1IUW O   C11  doub N N 13  
A1IUW N   C11  sing N N 14  
A1IUW C12 C6   sing N N 15  
A1IUW C4  N1   sing Y N 16  
A1IUW N1  C13  sing Y N 17  
A1IUW C13 C14  doub Y N 18  
A1IUW C3  C14  sing Y N 19  
A1IUW C14 C15  sing N N 20  
A1IUW C16 C15  sing N N 21  
A1IUW C   C16  sing N N 22  
A1IUW C15 O1   doub N N 23  
A1IUW C17 C13  sing N N 24  
A1IUW N1  HN1  sing N N 25  
A1IUW C7  H8   sing N N 26  
A1IUW C10 H10  sing N N 27  
A1IUW N   H    sing N N 28  
A1IUW N   H1   sing N N 29  
A1IUW C   H3   sing N N 30  
A1IUW C   H2   sing N N 31  
A1IUW C1  H4   sing N N 32  
A1IUW C1  H5   sing N N 33  
A1IUW C12 H11  sing N N 34  
A1IUW C12 H13  sing N N 35  
A1IUW C12 H12  sing N N 36  
A1IUW C2  H6   sing N N 37  
A1IUW C2  H7   sing N N 38  
A1IUW C9  H9   sing N N 39  
A1IUW C16 H14  sing N N 40  
A1IUW C16 H15  sing N N 41  
A1IUW C17 H17  sing N N 42  
A1IUW C17 H18  sing N N 43  
A1IUW C17 H16  sing N N 44  
ALA   N   CA   sing N N 45  
ALA   N   H    sing N N 46  
ALA   N   H2   sing N N 47  
ALA   CA  C    sing N N 48  
ALA   CA  CB   sing N N 49  
ALA   CA  HA   sing N N 50  
ALA   C   O    doub N N 51  
ALA   C   OXT  sing N N 52  
ALA   CB  HB1  sing N N 53  
ALA   CB  HB2  sing N N 54  
ALA   CB  HB3  sing N N 55  
ALA   OXT HXT  sing N N 56  
ARG   N   CA   sing N N 57  
ARG   N   H    sing N N 58  
ARG   N   H2   sing N N 59  
ARG   CA  C    sing N N 60  
ARG   CA  CB   sing N N 61  
ARG   CA  HA   sing N N 62  
ARG   C   O    doub N N 63  
ARG   C   OXT  sing N N 64  
ARG   CB  CG   sing N N 65  
ARG   CB  HB2  sing N N 66  
ARG   CB  HB3  sing N N 67  
ARG   CG  CD   sing N N 68  
ARG   CG  HG2  sing N N 69  
ARG   CG  HG3  sing N N 70  
ARG   CD  NE   sing N N 71  
ARG   CD  HD2  sing N N 72  
ARG   CD  HD3  sing N N 73  
ARG   NE  CZ   sing N N 74  
ARG   NE  HE   sing N N 75  
ARG   CZ  NH1  sing N N 76  
ARG   CZ  NH2  doub N N 77  
ARG   NH1 HH11 sing N N 78  
ARG   NH1 HH12 sing N N 79  
ARG   NH2 HH21 sing N N 80  
ARG   NH2 HH22 sing N N 81  
ARG   OXT HXT  sing N N 82  
ASN   N   CA   sing N N 83  
ASN   N   H    sing N N 84  
ASN   N   H2   sing N N 85  
ASN   CA  C    sing N N 86  
ASN   CA  CB   sing N N 87  
ASN   CA  HA   sing N N 88  
ASN   C   O    doub N N 89  
ASN   C   OXT  sing N N 90  
ASN   CB  CG   sing N N 91  
ASN   CB  HB2  sing N N 92  
ASN   CB  HB3  sing N N 93  
ASN   CG  OD1  doub N N 94  
ASN   CG  ND2  sing N N 95  
ASN   ND2 HD21 sing N N 96  
ASN   ND2 HD22 sing N N 97  
ASN   OXT HXT  sing N N 98  
ASP   N   CA   sing N N 99  
ASP   N   H    sing N N 100 
ASP   N   H2   sing N N 101 
ASP   CA  C    sing N N 102 
ASP   CA  CB   sing N N 103 
ASP   CA  HA   sing N N 104 
ASP   C   O    doub N N 105 
ASP   C   OXT  sing N N 106 
ASP   CB  CG   sing N N 107 
ASP   CB  HB2  sing N N 108 
ASP   CB  HB3  sing N N 109 
ASP   CG  OD1  doub N N 110 
ASP   CG  OD2  sing N N 111 
ASP   OD2 HD2  sing N N 112 
ASP   OXT HXT  sing N N 113 
CYS   N   CA   sing N N 114 
CYS   N   H    sing N N 115 
CYS   N   H2   sing N N 116 
CYS   CA  C    sing N N 117 
CYS   CA  CB   sing N N 118 
CYS   CA  HA   sing N N 119 
CYS   C   O    doub N N 120 
CYS   C   OXT  sing N N 121 
CYS   CB  SG   sing N N 122 
CYS   CB  HB2  sing N N 123 
CYS   CB  HB3  sing N N 124 
CYS   SG  HG   sing N N 125 
CYS   OXT HXT  sing N N 126 
GLN   N   CA   sing N N 127 
GLN   N   H    sing N N 128 
GLN   N   H2   sing N N 129 
GLN   CA  C    sing N N 130 
GLN   CA  CB   sing N N 131 
GLN   CA  HA   sing N N 132 
GLN   C   O    doub N N 133 
GLN   C   OXT  sing N N 134 
GLN   CB  CG   sing N N 135 
GLN   CB  HB2  sing N N 136 
GLN   CB  HB3  sing N N 137 
GLN   CG  CD   sing N N 138 
GLN   CG  HG2  sing N N 139 
GLN   CG  HG3  sing N N 140 
GLN   CD  OE1  doub N N 141 
GLN   CD  NE2  sing N N 142 
GLN   NE2 HE21 sing N N 143 
GLN   NE2 HE22 sing N N 144 
GLN   OXT HXT  sing N N 145 
GLU   N   CA   sing N N 146 
GLU   N   H    sing N N 147 
GLU   N   H2   sing N N 148 
GLU   CA  C    sing N N 149 
GLU   CA  CB   sing N N 150 
GLU   CA  HA   sing N N 151 
GLU   C   O    doub N N 152 
GLU   C   OXT  sing N N 153 
GLU   CB  CG   sing N N 154 
GLU   CB  HB2  sing N N 155 
GLU   CB  HB3  sing N N 156 
GLU   CG  CD   sing N N 157 
GLU   CG  HG2  sing N N 158 
GLU   CG  HG3  sing N N 159 
GLU   CD  OE1  doub N N 160 
GLU   CD  OE2  sing N N 161 
GLU   OE2 HE2  sing N N 162 
GLU   OXT HXT  sing N N 163 
GLY   N   CA   sing N N 164 
GLY   N   H    sing N N 165 
GLY   N   H2   sing N N 166 
GLY   CA  C    sing N N 167 
GLY   CA  HA2  sing N N 168 
GLY   CA  HA3  sing N N 169 
GLY   C   O    doub N N 170 
GLY   C   OXT  sing N N 171 
GLY   OXT HXT  sing N N 172 
HIS   N   CA   sing N N 173 
HIS   N   H    sing N N 174 
HIS   N   H2   sing N N 175 
HIS   CA  C    sing N N 176 
HIS   CA  CB   sing N N 177 
HIS   CA  HA   sing N N 178 
HIS   C   O    doub N N 179 
HIS   C   OXT  sing N N 180 
HIS   CB  CG   sing N N 181 
HIS   CB  HB2  sing N N 182 
HIS   CB  HB3  sing N N 183 
HIS   CG  ND1  sing Y N 184 
HIS   CG  CD2  doub Y N 185 
HIS   ND1 CE1  doub Y N 186 
HIS   ND1 HD1  sing N N 187 
HIS   CD2 NE2  sing Y N 188 
HIS   CD2 HD2  sing N N 189 
HIS   CE1 NE2  sing Y N 190 
HIS   CE1 HE1  sing N N 191 
HIS   NE2 HE2  sing N N 192 
HIS   OXT HXT  sing N N 193 
HOH   O   H1   sing N N 194 
HOH   O   H2   sing N N 195 
ILE   N   CA   sing N N 196 
ILE   N   H    sing N N 197 
ILE   N   H2   sing N N 198 
ILE   CA  C    sing N N 199 
ILE   CA  CB   sing N N 200 
ILE   CA  HA   sing N N 201 
ILE   C   O    doub N N 202 
ILE   C   OXT  sing N N 203 
ILE   CB  CG1  sing N N 204 
ILE   CB  CG2  sing N N 205 
ILE   CB  HB   sing N N 206 
ILE   CG1 CD1  sing N N 207 
ILE   CG1 HG12 sing N N 208 
ILE   CG1 HG13 sing N N 209 
ILE   CG2 HG21 sing N N 210 
ILE   CG2 HG22 sing N N 211 
ILE   CG2 HG23 sing N N 212 
ILE   CD1 HD11 sing N N 213 
ILE   CD1 HD12 sing N N 214 
ILE   CD1 HD13 sing N N 215 
ILE   OXT HXT  sing N N 216 
LEU   N   CA   sing N N 217 
LEU   N   H    sing N N 218 
LEU   N   H2   sing N N 219 
LEU   CA  C    sing N N 220 
LEU   CA  CB   sing N N 221 
LEU   CA  HA   sing N N 222 
LEU   C   O    doub N N 223 
LEU   C   OXT  sing N N 224 
LEU   CB  CG   sing N N 225 
LEU   CB  HB2  sing N N 226 
LEU   CB  HB3  sing N N 227 
LEU   CG  CD1  sing N N 228 
LEU   CG  CD2  sing N N 229 
LEU   CG  HG   sing N N 230 
LEU   CD1 HD11 sing N N 231 
LEU   CD1 HD12 sing N N 232 
LEU   CD1 HD13 sing N N 233 
LEU   CD2 HD21 sing N N 234 
LEU   CD2 HD22 sing N N 235 
LEU   CD2 HD23 sing N N 236 
LEU   OXT HXT  sing N N 237 
LYS   N   CA   sing N N 238 
LYS   N   H    sing N N 239 
LYS   N   H2   sing N N 240 
LYS   CA  C    sing N N 241 
LYS   CA  CB   sing N N 242 
LYS   CA  HA   sing N N 243 
LYS   C   O    doub N N 244 
LYS   C   OXT  sing N N 245 
LYS   CB  CG   sing N N 246 
LYS   CB  HB2  sing N N 247 
LYS   CB  HB3  sing N N 248 
LYS   CG  CD   sing N N 249 
LYS   CG  HG2  sing N N 250 
LYS   CG  HG3  sing N N 251 
LYS   CD  CE   sing N N 252 
LYS   CD  HD2  sing N N 253 
LYS   CD  HD3  sing N N 254 
LYS   CE  NZ   sing N N 255 
LYS   CE  HE2  sing N N 256 
LYS   CE  HE3  sing N N 257 
LYS   NZ  HZ1  sing N N 258 
LYS   NZ  HZ2  sing N N 259 
LYS   NZ  HZ3  sing N N 260 
LYS   OXT HXT  sing N N 261 
MET   N   CA   sing N N 262 
MET   N   H    sing N N 263 
MET   N   H2   sing N N 264 
MET   CA  C    sing N N 265 
MET   CA  CB   sing N N 266 
MET   CA  HA   sing N N 267 
MET   C   O    doub N N 268 
MET   C   OXT  sing N N 269 
MET   CB  CG   sing N N 270 
MET   CB  HB2  sing N N 271 
MET   CB  HB3  sing N N 272 
MET   CG  SD   sing N N 273 
MET   CG  HG2  sing N N 274 
MET   CG  HG3  sing N N 275 
MET   SD  CE   sing N N 276 
MET   CE  HE1  sing N N 277 
MET   CE  HE2  sing N N 278 
MET   CE  HE3  sing N N 279 
MET   OXT HXT  sing N N 280 
PHE   N   CA   sing N N 281 
PHE   N   H    sing N N 282 
PHE   N   H2   sing N N 283 
PHE   CA  C    sing N N 284 
PHE   CA  CB   sing N N 285 
PHE   CA  HA   sing N N 286 
PHE   C   O    doub N N 287 
PHE   C   OXT  sing N N 288 
PHE   CB  CG   sing N N 289 
PHE   CB  HB2  sing N N 290 
PHE   CB  HB3  sing N N 291 
PHE   CG  CD1  doub Y N 292 
PHE   CG  CD2  sing Y N 293 
PHE   CD1 CE1  sing Y N 294 
PHE   CD1 HD1  sing N N 295 
PHE   CD2 CE2  doub Y N 296 
PHE   CD2 HD2  sing N N 297 
PHE   CE1 CZ   doub Y N 298 
PHE   CE1 HE1  sing N N 299 
PHE   CE2 CZ   sing Y N 300 
PHE   CE2 HE2  sing N N 301 
PHE   CZ  HZ   sing N N 302 
PHE   OXT HXT  sing N N 303 
PRO   N   CA   sing N N 304 
PRO   N   CD   sing N N 305 
PRO   N   H    sing N N 306 
PRO   CA  C    sing N N 307 
PRO   CA  CB   sing N N 308 
PRO   CA  HA   sing N N 309 
PRO   C   O    doub N N 310 
PRO   C   OXT  sing N N 311 
PRO   CB  CG   sing N N 312 
PRO   CB  HB2  sing N N 313 
PRO   CB  HB3  sing N N 314 
PRO   CG  CD   sing N N 315 
PRO   CG  HG2  sing N N 316 
PRO   CG  HG3  sing N N 317 
PRO   CD  HD2  sing N N 318 
PRO   CD  HD3  sing N N 319 
PRO   OXT HXT  sing N N 320 
SER   N   CA   sing N N 321 
SER   N   H    sing N N 322 
SER   N   H2   sing N N 323 
SER   CA  C    sing N N 324 
SER   CA  CB   sing N N 325 
SER   CA  HA   sing N N 326 
SER   C   O    doub N N 327 
SER   C   OXT  sing N N 328 
SER   CB  OG   sing N N 329 
SER   CB  HB2  sing N N 330 
SER   CB  HB3  sing N N 331 
SER   OG  HG   sing N N 332 
SER   OXT HXT  sing N N 333 
SO4   S   O1   doub N N 334 
SO4   S   O2   doub N N 335 
SO4   S   O3   sing N N 336 
SO4   S   O4   sing N N 337 
THR   N   CA   sing N N 338 
THR   N   H    sing N N 339 
THR   N   H2   sing N N 340 
THR   CA  C    sing N N 341 
THR   CA  CB   sing N N 342 
THR   CA  HA   sing N N 343 
THR   C   O    doub N N 344 
THR   C   OXT  sing N N 345 
THR   CB  OG1  sing N N 346 
THR   CB  CG2  sing N N 347 
THR   CB  HB   sing N N 348 
THR   OG1 HG1  sing N N 349 
THR   CG2 HG21 sing N N 350 
THR   CG2 HG22 sing N N 351 
THR   CG2 HG23 sing N N 352 
THR   OXT HXT  sing N N 353 
TRP   N   CA   sing N N 354 
TRP   N   H    sing N N 355 
TRP   N   H2   sing N N 356 
TRP   CA  C    sing N N 357 
TRP   CA  CB   sing N N 358 
TRP   CA  HA   sing N N 359 
TRP   C   O    doub N N 360 
TRP   C   OXT  sing N N 361 
TRP   CB  CG   sing N N 362 
TRP   CB  HB2  sing N N 363 
TRP   CB  HB3  sing N N 364 
TRP   CG  CD1  doub Y N 365 
TRP   CG  CD2  sing Y N 366 
TRP   CD1 NE1  sing Y N 367 
TRP   CD1 HD1  sing N N 368 
TRP   CD2 CE2  doub Y N 369 
TRP   CD2 CE3  sing Y N 370 
TRP   NE1 CE2  sing Y N 371 
TRP   NE1 HE1  sing N N 372 
TRP   CE2 CZ2  sing Y N 373 
TRP   CE3 CZ3  doub Y N 374 
TRP   CE3 HE3  sing N N 375 
TRP   CZ2 CH2  doub Y N 376 
TRP   CZ2 HZ2  sing N N 377 
TRP   CZ3 CH2  sing Y N 378 
TRP   CZ3 HZ3  sing N N 379 
TRP   CH2 HH2  sing N N 380 
TRP   OXT HXT  sing N N 381 
TYR   N   CA   sing N N 382 
TYR   N   H    sing N N 383 
TYR   N   H2   sing N N 384 
TYR   CA  C    sing N N 385 
TYR   CA  CB   sing N N 386 
TYR   CA  HA   sing N N 387 
TYR   C   O    doub N N 388 
TYR   C   OXT  sing N N 389 
TYR   CB  CG   sing N N 390 
TYR   CB  HB2  sing N N 391 
TYR   CB  HB3  sing N N 392 
TYR   CG  CD1  doub Y N 393 
TYR   CG  CD2  sing Y N 394 
TYR   CD1 CE1  sing Y N 395 
TYR   CD1 HD1  sing N N 396 
TYR   CD2 CE2  doub Y N 397 
TYR   CD2 HD2  sing N N 398 
TYR   CE1 CZ   doub Y N 399 
TYR   CE1 HE1  sing N N 400 
TYR   CE2 CZ   sing Y N 401 
TYR   CE2 HE2  sing N N 402 
TYR   CZ  OH   sing N N 403 
TYR   OH  HH   sing N N 404 
TYR   OXT HXT  sing N N 405 
VAL   N   CA   sing N N 406 
VAL   N   H    sing N N 407 
VAL   N   H2   sing N N 408 
VAL   CA  C    sing N N 409 
VAL   CA  CB   sing N N 410 
VAL   CA  HA   sing N N 411 
VAL   C   O    doub N N 412 
VAL   C   OXT  sing N N 413 
VAL   CB  CG1  sing N N 414 
VAL   CB  CG2  sing N N 415 
VAL   CB  HB   sing N N 416 
VAL   CG1 HG11 sing N N 417 
VAL   CG1 HG12 sing N N 418 
VAL   CG1 HG13 sing N N 419 
VAL   CG2 HG21 sing N N 420 
VAL   CG2 HG22 sing N N 421 
VAL   CG2 HG23 sing N N 422 
VAL   OXT HXT  sing N N 423 
# 
_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                    9HH8 
_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]   0.010766 
_atom_sites.fract_transf_matrix[1][2]   0.006216 
_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]   0.012432 
_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]   0.014185 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
C  
CL 
N  
O  
S  
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N  N   . SER   A 1 1   ? 38.184 -6.389  11.534  1.00 35.79  ? 1   SER   A N   1 
ATOM   2    C  CA  . SER   A 1 1   ? 37.033 -5.485  11.427  1.00 36.97  ? 1   SER   A CA  1 
ATOM   3    C  C   . SER   A 1 1   ? 35.770 -6.321  11.155  1.00 36.96  ? 1   SER   A C   1 
ATOM   4    O  O   . SER   A 1 1   ? 35.851 -7.528  10.884  1.00 38.87  ? 1   SER   A O   1 
ATOM   5    C  CB  . SER   A 1 1   ? 37.232 -4.455  10.333  1.00 40.78  ? 1   SER   A CB  1 
ATOM   6    O  OG  . SER   A 1 1   ? 37.456 -5.079  9.087   1.00 49.26  ? 1   SER   A OG  1 
ATOM   7    N  N   . PHE   A 1 2   ? 34.628 -5.660  11.235  1.00 32.82  ? 2   PHE   A N   1 
ATOM   8    C  CA  . PHE   A 1 2   ? 33.343 -6.372  11.209  1.00 34.18  ? 2   PHE   A CA  1 
ATOM   9    C  C   . PHE   A 1 2   ? 33.209 -7.229  9.958   1.00 36.93  ? 2   PHE   A C   1 
ATOM   10   O  O   . PHE   A 1 2   ? 32.881 -8.430  10.042  1.00 36.92  ? 2   PHE   A O   1 
ATOM   11   C  CB  . PHE   A 1 2   ? 32.218 -5.349  11.298  1.00 30.14  ? 2   PHE   A CB  1 
ATOM   12   C  CG  . PHE   A 1 2   ? 30.835 -5.934  11.239  1.00 35.24  ? 2   PHE   A CG  1 
ATOM   13   C  CD1 . PHE   A 1 2   ? 30.254 -6.447  12.386  1.00 39.49  ? 2   PHE   A CD1 1 
ATOM   14   C  CD2 . PHE   A 1 2   ? 30.106 -5.923  10.058  1.00 32.59  ? 2   PHE   A CD2 1 
ATOM   15   C  CE1 . PHE   A 1 2   ? 28.935 -6.987  12.351  1.00 40.89  ? 2   PHE   A CE1 1 
ATOM   16   C  CE2 . PHE   A 1 2   ? 28.782 -6.451  10.024  1.00 33.39  ? 2   PHE   A CE2 1 
ATOM   17   C  CZ  . PHE   A 1 2   ? 28.222 -6.972  11.184  1.00 39.79  ? 2   PHE   A CZ  1 
ATOM   18   N  N   . ASN   A 1 3   ? 33.418 -6.626  8.778   1.00 35.07  ? 3   ASN   A N   1 
ATOM   19   C  CA  . ASN   A 1 3   ? 33.176 -7.367  7.538   1.00 35.29  ? 3   ASN   A CA  1 
ATOM   20   C  C   . ASN   A 1 3   ? 34.241 -8.427  7.324   1.00 37.42  ? 3   ASN   A C   1 
ATOM   21   O  O   . ASN   A 1 3   ? 33.940 -9.508  6.801   1.00 35.45  ? 3   ASN   A O   1 
ATOM   22   C  CB  . ASN   A 1 3   ? 33.131 -6.439  6.334   1.00 35.16  ? 3   ASN   A CB  1 
ATOM   23   C  CG  . ASN   A 1 3   ? 31.882 -5.592  6.311   1.00 41.26  ? 3   ASN   A CG  1 
ATOM   24   O  OD1 . ASN   A 1 3   ? 30.807 -6.031  6.728   1.00 37.31  ? 3   ASN   A OD1 1 
ATOM   25   N  ND2 . ASN   A 1 3   ? 32.022 -4.345  5.873   1.00 40.79  ? 3   ASN   A ND2 1 
ATOM   26   N  N   . LYS   A 1 4   ? 35.487 -8.132  7.691   1.00 28.18  ? 4   LYS   A N   1 
ATOM   27   C  CA  . LYS   A 1 4   ? 36.531 -9.163  7.641   1.00 35.88  ? 4   LYS   A CA  1 
ATOM   28   C  C   . LYS   A 1 4   ? 36.172 -10.375 8.504   1.00 41.67  ? 4   LYS   A C   1 
ATOM   29   O  O   . LYS   A 1 4   ? 36.492 -11.515 8.146   1.00 38.60  ? 4   LYS   A O   1 
ATOM   30   C  CB  . LYS   A 1 4   ? 37.865 -8.576  8.082   1.00 38.68  ? 4   LYS   A CB  1 
ATOM   31   C  CG  . LYS   A 1 4   ? 38.434 -7.635  7.064   1.00 49.38  ? 4   LYS   A CG  1 
ATOM   32   C  CD  . LYS   A 1 4   ? 39.854 -7.163  7.467   1.00 53.66  ? 4   LYS   A CD  1 
ATOM   33   C  CE  . LYS   A 1 4   ? 40.401 -6.151  6.491   1.00 57.19  ? 4   LYS   A CE  1 
ATOM   34   N  NZ  . LYS   A 1 4   ? 41.768 -5.701  6.908   1.00 64.70  ? 4   LYS   A NZ  1 
ATOM   35   N  N   . GLN   A 1 5   ? 35.514 -10.162 9.640   1.00 33.98  ? 5   GLN   A N   1 
ATOM   36   C  CA  . GLN   A 1 5   ? 35.254 -11.284 10.538  1.00 38.87  ? 5   GLN   A CA  1 
ATOM   37   C  C   . GLN   A 1 5   ? 34.176 -12.221 9.973   1.00 35.73  ? 5   GLN   A C   1 
ATOM   38   O  O   . GLN   A 1 5   ? 34.345 -13.451 10.013  1.00 38.99  ? 5   GLN   A O   1 
ATOM   39   C  CB  . GLN   A 1 5   ? 34.855 -10.776 11.921  1.00 43.80  ? 5   GLN   A CB  1 
ATOM   40   C  CG  . GLN   A 1 5   ? 36.052 -10.311 12.738  1.00 58.95  ? 5   GLN   A CG  1 
ATOM   41   C  CD  . GLN   A 1 5   ? 37.198 -11.330 12.728  1.00 77.75  ? 5   GLN   A CD  1 
ATOM   42   O  OE1 . GLN   A 1 5   ? 37.014 -12.490 13.115  1.00 76.30  ? 5   GLN   A OE1 1 
ATOM   43   N  NE2 . GLN   A 1 5   ? 38.386 -10.900 12.284  1.00 63.50  ? 5   GLN   A NE2 1 
ATOM   44   N  N   . TRP   A 1 6   ? 33.084 -11.683 9.427   1.00 37.40  ? 6   TRP   A N   1 
ATOM   45   C  CA  . TRP   A 1 6   ? 32.096 -12.623 8.902   1.00 34.32  ? 6   TRP   A CA  1 
ATOM   46   C  C   . TRP   A 1 6   ? 32.510 -13.200 7.546   1.00 40.78  ? 6   TRP   A C   1 
ATOM   47   O  O   . TRP   A 1 6   ? 32.110 -14.332 7.231   1.00 33.93  ? 6   TRP   A O   1 
ATOM   48   C  CB  . TRP   A 1 6   ? 30.709 -12.017 8.869   1.00 34.20  ? 6   TRP   A CB  1 
ATOM   49   C  CG  . TRP   A 1 6   ? 30.462 -10.848 7.997   1.00 31.61  ? 6   TRP   A CG  1 
ATOM   50   C  CD1 . TRP   A 1 6   ? 30.339 -9.516  8.418   1.00 34.60  ? 6   TRP   A CD1 1 
ATOM   51   C  CD2 . TRP   A 1 6   ? 30.181 -10.838 6.584   1.00 36.52  ? 6   TRP   A CD2 1 
ATOM   52   N  NE1 . TRP   A 1 6   ? 30.029 -8.722  7.353   1.00 33.16  ? 6   TRP   A NE1 1 
ATOM   53   C  CE2 . TRP   A 1 6   ? 29.928 -9.481  6.217   1.00 33.96  ? 6   TRP   A CE2 1 
ATOM   54   C  CE3 . TRP   A 1 6   ? 30.126 -11.831 5.590   1.00 38.26  ? 6   TRP   A CE3 1 
ATOM   55   C  CZ2 . TRP   A 1 6   ? 29.652 -9.095  4.891   1.00 34.53  ? 6   TRP   A CZ2 1 
ATOM   56   C  CZ3 . TRP   A 1 6   ? 29.854 -11.445 4.289   1.00 33.60  ? 6   TRP   A CZ3 1 
ATOM   57   C  CH2 . TRP   A 1 6   ? 29.610 -10.094 3.946   1.00 36.98  ? 6   TRP   A CH2 1 
ATOM   58   N  N   . TYR   A 1 7   ? 33.337 -12.492 6.767   1.00 31.10  ? 7   TYR   A N   1 
ATOM   59   C  CA  . TYR   A 1 7   ? 33.960 -13.104 5.594   1.00 31.79  ? 7   TYR   A CA  1 
ATOM   60   C  C   . TYR   A 1 7   ? 34.744 -14.338 5.985   1.00 36.26  ? 7   TYR   A C   1 
ATOM   61   O  O   . TYR   A 1 7   ? 34.676 -15.371 5.302   1.00 32.99  ? 7   TYR   A O   1 
ATOM   62   C  CB  . TYR   A 1 7   ? 34.918 -12.116 4.888   1.00 29.50  ? 7   TYR   A CB  1 
ATOM   63   C  CG  . TYR   A 1 7   ? 34.308 -11.478 3.666   1.00 29.46  ? 7   TYR   A CG  1 
ATOM   64   C  CD1 . TYR   A 1 7   ? 33.303 -10.494 3.797   1.00 27.66  ? 7   TYR   A CD1 1 
ATOM   65   C  CD2 . TYR   A 1 7   ? 34.791 -11.785 2.381   1.00 30.37  ? 7   TYR   A CD2 1 
ATOM   66   C  CE1 . TYR   A 1 7   ? 32.749 -9.876  2.661   1.00 29.36  ? 7   TYR   A CE1 1 
ATOM   67   C  CE2 . TYR   A 1 7   ? 34.212 -11.212 1.242   1.00 28.36  ? 7   TYR   A CE2 1 
ATOM   68   C  CZ  . TYR   A 1 7   ? 33.254 -10.197 1.398   1.00 27.09  ? 7   TYR   A CZ  1 
ATOM   69   O  OH  . TYR   A 1 7   ? 32.639 -9.614  0.311   1.00 33.62  ? 7   TYR   A OH  1 
ATOM   70   N  N   A LEU   A 1 8   ? 35.527 -14.241 7.062   0.43 30.57  ? 8   LEU   A N   1 
ATOM   71   N  N   B LEU   A 1 8   ? 35.493 -14.248 7.084   0.57 30.42  ? 8   LEU   A N   1 
ATOM   72   C  CA  A LEU   A 1 8   ? 36.317 -15.377 7.516   0.43 33.55  ? 8   LEU   A CA  1 
ATOM   73   C  CA  B LEU   A 1 8   ? 36.318 -15.359 7.533   0.57 33.48  ? 8   LEU   A CA  1 
ATOM   74   C  C   A LEU   A 1 8   ? 35.415 -16.519 7.941   0.43 36.36  ? 8   LEU   A C   1 
ATOM   75   C  C   B LEU   A 1 8   ? 35.450 -16.516 7.993   0.57 36.37  ? 8   LEU   A C   1 
ATOM   76   O  O   A LEU   A 1 8   ? 35.663 -17.680 7.587   0.43 34.98  ? 8   LEU   A O   1 
ATOM   77   O  O   B LEU   A 1 8   ? 35.760 -17.683 7.715   0.57 34.71  ? 8   LEU   A O   1 
ATOM   78   C  CB  A LEU   A 1 8   ? 37.230 -14.972 8.675   0.43 39.87  ? 8   LEU   A CB  1 
ATOM   79   C  CB  B LEU   A 1 8   ? 37.243 -14.905 8.665   0.57 39.91  ? 8   LEU   A CB  1 
ATOM   80   C  CG  A LEU   A 1 8   ? 38.468 -14.137 8.370   0.43 35.85  ? 8   LEU   A CG  1 
ATOM   81   C  CG  B LEU   A 1 8   ? 38.205 -15.947 9.227   0.57 47.15  ? 8   LEU   A CG  1 
ATOM   82   C  CD1 A LEU   A 1 8   ? 39.168 -13.762 9.669   0.43 42.94  ? 8   LEU   A CD1 1 
ATOM   83   C  CD1 B LEU   A 1 8   ? 39.419 -16.060 8.314   0.57 48.88  ? 8   LEU   A CD1 1 
ATOM   84   C  CD2 A LEU   A 1 8   ? 39.405 -14.863 7.425   0.43 40.89  ? 8   LEU   A CD2 1 
ATOM   85   C  CD2 B LEU   A 1 8   ? 38.632 -15.553 10.625  0.57 46.67  ? 8   LEU   A CD2 1 
ATOM   86   N  N   . LEU   A 1 9   ? 34.357 -16.205 8.691   1.00 30.99  ? 9   LEU   A N   1 
ATOM   87   C  CA  . LEU   A 1 9   ? 33.452 -17.253 9.153   1.00 33.17  ? 9   LEU   A CA  1 
ATOM   88   C  C   . LEU   A 1 9   ? 32.746 -17.909 7.971   1.00 40.34  ? 9   LEU   A C   1 
ATOM   89   O  O   . LEU   A 1 9   ? 32.597 -19.164 7.921   1.00 34.37  ? 9   LEU   A O   1 
ATOM   90   C  CB  . LEU   A 1 9   ? 32.477 -16.654 10.167  1.00 38.79  ? 9   LEU   A CB  1 
ATOM   91   C  CG  . LEU   A 1 9   ? 31.756 -17.624 11.104  1.00 49.81  ? 9   LEU   A CG  1 
ATOM   92   C  CD1 . LEU   A 1 9   ? 32.746 -18.623 11.708  1.00 51.80  ? 9   LEU   A CD1 1 
ATOM   93   C  CD2 . LEU   A 1 9   ? 30.980 -16.846 12.187  1.00 48.99  ? 9   LEU   A CD2 1 
ATOM   94   N  N   . ALA   A 1 10  ? 32.357 -17.088 6.987   1.00 32.78  ? 10  ALA   A N   1 
ATOM   95   C  CA  . ALA   A 1 10  ? 31.683 -17.607 5.790   1.00 31.81  ? 10  ALA   A CA  1 
ATOM   96   C  C   . ALA   A 1 10  ? 32.619 -18.548 5.038   1.00 35.55  ? 10  ALA   A C   1 
ATOM   97   O  O   . ALA   A 1 10  ? 32.210 -19.628 4.602   1.00 32.21  ? 10  ALA   A O   1 
ATOM   98   C  CB  . ALA   A 1 10  ? 31.214 -16.464 4.883   1.00 32.48  ? 10  ALA   A CB  1 
ATOM   99   N  N   . ASN   A 1 11  ? 33.891 -18.164 4.901   1.00 32.47  ? 11  ASN   A N   1 
ATOM   100  C  CA  . ASN   A 1 11  ? 34.861 -19.056 4.292   1.00 30.16  ? 11  ASN   A CA  1 
ATOM   101  C  C   . ASN   A 1 11  ? 34.989 -20.357 5.065   1.00 36.52  ? 11  ASN   A C   1 
ATOM   102  O  O   . ASN   A 1 11  ? 35.148 -21.427 4.463   1.00 36.74  ? 11  ASN   A O   1 
ATOM   103  C  CB  . ASN   A 1 11  ? 36.229 -18.351 4.212   1.00 31.92  ? 11  ASN   A CB  1 
ATOM   104  C  CG  . ASN   A 1 11  ? 36.421 -17.661 2.919   1.00 44.95  ? 11  ASN   A CG  1 
ATOM   105  O  OD1 . ASN   A 1 11  ? 36.262 -18.276 1.859   1.00 44.49  ? 11  ASN   A OD1 1 
ATOM   106  N  ND2 . ASN   A 1 11  ? 36.777 -16.356 2.971   1.00 49.08  ? 11  ASN   A ND2 1 
ATOM   107  N  N   . GLN   A 1 12  ? 34.941 -20.300 6.396   1.00 31.74  ? 12  GLN   A N   1 
ATOM   108  C  CA  . GLN   A 1 12  ? 35.083 -21.558 7.126   1.00 32.76  ? 12  GLN   A CA  1 
ATOM   109  C  C   . GLN   A 1 12  ? 33.843 -22.411 6.916   1.00 35.59  ? 12  GLN   A C   1 
ATOM   110  O  O   . GLN   A 1 12  ? 33.939 -23.633 6.715   1.00 33.06  ? 12  GLN   A O   1 
ATOM   111  C  CB  . GLN   A 1 12  ? 35.295 -21.321 8.613   1.00 36.49  ? 12  GLN   A CB  1 
ATOM   112  C  CG  . GLN   A 1 12  ? 36.767 -21.115 8.959   1.00 52.39  ? 12  GLN   A CG  1 
ATOM   113  C  CD  . GLN   A 1 12  ? 37.015 -20.036 10.014  1.00 74.42  ? 12  GLN   A CD  1 
ATOM   114  O  OE1 . GLN   A 1 12  ? 36.083 -19.560 10.663  1.00 67.44  ? 12  GLN   A OE1 1 
ATOM   115  N  NE2 . GLN   A 1 12  ? 38.286 -19.640 10.179  1.00 59.04  ? 12  GLN   A NE2 1 
ATOM   116  N  N   . ILE   A 1 13  ? 32.673 -21.777 6.957   1.00 30.88  ? 13  ILE   A N   1 
ATOM   117  C  CA  . ILE   A 1 13  ? 31.438 -22.552 6.810   1.00 31.00  ? 13  ILE   A CA  1 
ATOM   118  C  C   . ILE   A 1 13  ? 31.348 -23.174 5.422   1.00 33.55  ? 13  ILE   A C   1 
ATOM   119  O  O   . ILE   A 1 13  ? 30.988 -24.357 5.288   1.00 32.59  ? 13  ILE   A O   1 
ATOM   120  C  CB  . ILE   A 1 13  ? 30.215 -21.671 7.114   1.00 30.84  ? 13  ILE   A CB  1 
ATOM   121  C  CG1 . ILE   A 1 13  ? 30.198 -21.231 8.594   1.00 31.77  ? 13  ILE   A CG1 1 
ATOM   122  C  CG2 . ILE   A 1 13  ? 28.877 -22.386 6.704   1.00 29.72  ? 13  ILE   A CG2 1 
ATOM   123  C  CD1 . ILE   A 1 13  ? 29.182 -20.104 8.851   1.00 35.67  ? 13  ILE   A CD1 1 
ATOM   124  N  N   . ILE   A 1 14  ? 31.625 -22.401 4.370   1.00 32.22  ? 14  ILE   A N   1 
ATOM   125  C  CA  . ILE   A 1 14  ? 31.521 -22.953 3.009   1.00 32.69  ? 14  ILE   A CA  1 
ATOM   126  C  C   . ILE   A 1 14  ? 32.493 -24.122 2.809   1.00 33.90  ? 14  ILE   A C   1 
ATOM   127  O  O   . ILE   A 1 14  ? 32.135 -25.127 2.176   1.00 31.94  ? 14  ILE   A O   1 
ATOM   128  C  CB  . ILE   A 1 14  ? 31.694 -21.835 1.948   1.00 33.96  ? 14  ILE   A CB  1 
ATOM   129  C  CG1 . ILE   A 1 14  ? 31.123 -22.263 0.582   1.00 30.77  ? 14  ILE   A CG1 1 
ATOM   130  C  CG2 . ILE   A 1 14  ? 33.179 -21.414 1.792   1.00 29.72  ? 14  ILE   A CG2 1 
ATOM   131  C  CD1 . ILE   A 1 14  ? 29.598 -22.546 0.562   1.00 34.98  ? 14  ILE   A CD1 1 
ATOM   132  N  N   . GLN   A 1 15  ? 33.687 -24.053 3.395   1.00 31.15  ? 15  GLN   A N   1 
ATOM   133  C  CA  . GLN   A 1 15  ? 34.638 -25.164 3.322   1.00 32.60  ? 15  GLN   A CA  1 
ATOM   134  C  C   . GLN   A 1 15  ? 34.088 -26.384 4.055   1.00 33.83  ? 15  GLN   A C   1 
ATOM   135  O  O   . GLN   A 1 15  ? 34.284 -27.542 3.608   1.00 36.01  ? 15  GLN   A O   1 
ATOM   136  C  CB  . GLN   A 1 15  ? 35.980 -24.714 3.915   1.00 31.53  ? 15  GLN   A CB  1 
ATOM   137  C  CG  . GLN   A 1 15  ? 37.102 -25.702 3.596   1.00 78.00  ? 15  GLN   A CG  1 
ATOM   138  C  CD  . GLN   A 1 15  ? 37.364 -25.827 2.092   1.00 89.69  ? 15  GLN   A CD  1 
ATOM   139  O  OE1 . GLN   A 1 15  ? 36.755 -26.654 1.389   1.00 63.83  ? 15  GLN   A OE1 1 
ATOM   140  N  NE2 . GLN   A 1 15  ? 38.273 -24.995 1.591   1.00 92.83  ? 15  GLN   A NE2 1 
ATOM   141  N  N   . SER   A 1 16  ? 33.377 -26.163 5.168   1.00 30.69  ? 16  SER   A N   1 
ATOM   142  C  CA  . SER   A 1 16  ? 32.809 -27.330 5.861   1.00 32.89  ? 16  SER   A CA  1 
ATOM   143  C  C   . SER   A 1 16  ? 31.699 -27.995 5.033   1.00 38.57  ? 16  SER   A C   1 
ATOM   144  O  O   . SER   A 1 16  ? 31.529 -29.231 5.098   1.00 35.20  ? 16  SER   A O   1 
ATOM   145  C  CB  . SER   A 1 16  ? 32.320 -26.935 7.263   1.00 31.34  ? 16  SER   A CB  1 
ATOM   146  O  OG  . SER   A 1 16  ? 31.044 -26.278 7.304   1.00 36.32  ? 16  SER   A OG  1 
ATOM   147  N  N   . LEU   A 1 17  ? 30.964 -27.231 4.221   1.00 29.91  ? 17  LEU   A N   1 
ATOM   148  C  CA  . LEU   A 1 17  ? 29.960 -27.869 3.351   1.00 28.34  ? 17  LEU   A CA  1 
ATOM   149  C  C   . LEU   A 1 17  ? 30.641 -28.684 2.247   1.00 32.98  ? 17  LEU   A C   1 
ATOM   150  O  O   . LEU   A 1 17  ? 30.210 -29.820 1.916   1.00 32.79  ? 17  LEU   A O   1 
ATOM   151  C  CB  . LEU   A 1 17  ? 29.041 -26.826 2.734   1.00 31.68  ? 17  LEU   A CB  1 
ATOM   152  C  CG  . LEU   A 1 17  ? 28.362 -25.840 3.697   1.00 34.51  ? 17  LEU   A CG  1 
ATOM   153  C  CD1 . LEU   A 1 17  ? 27.339 -24.986 2.929   1.00 31.47  ? 17  LEU   A CD1 1 
ATOM   154  C  CD2 . LEU   A 1 17  ? 27.770 -26.571 4.897   1.00 32.68  ? 17  LEU   A CD2 1 
ATOM   155  N  N   . SER   A 1 18  ? 31.720 -28.122 1.679   1.00 31.97  ? 18  SER   A N   1 
ATOM   156  C  CA  . SER   A 1 18  ? 32.479 -28.812 0.656   1.00 26.57  ? 18  SER   A CA  1 
ATOM   157  C  C   . SER   A 1 18  ? 32.946 -30.183 1.146   1.00 30.55  ? 18  SER   A C   1 
ATOM   158  O  O   . SER   A 1 18  ? 33.049 -31.113 0.346   1.00 35.67  ? 18  SER   A O   1 
ATOM   159  C  CB  . SER   A 1 18  ? 33.742 -28.014 0.261   1.00 33.72  ? 18  SER   A CB  1 
ATOM   160  O  OG  . SER   A 1 18  ? 33.372 -26.833 -0.403  1.00 33.97  ? 18  SER   A OG  1 
ATOM   161  N  N   . LYS   A 1 19  ? 33.334 -30.279 2.427   1.00 31.74  ? 19  LYS   A N   1 
ATOM   162  C  CA  . LYS   A 1 19  ? 33.933 -31.499 2.990   1.00 32.54  ? 19  LYS   A CA  1 
ATOM   163  C  C   . LYS   A 1 19  ? 32.880 -32.449 3.545   1.00 33.96  ? 19  LYS   A C   1 
ATOM   164  O  O   . LYS   A 1 19  ? 33.221 -33.588 3.924   1.00 34.66  ? 19  LYS   A O   1 
ATOM   165  C  CB  . LYS   A 1 19  ? 34.931 -31.121 4.099   1.00 36.46  ? 19  LYS   A CB  1 
ATOM   166  C  CG  . LYS   A 1 19  ? 36.200 -30.369 3.628   1.00 39.83  ? 19  LYS   A CG  1 
ATOM   167  N  N   . TYR   A 1 20  ? 31.622 -32.016 3.595   1.00 31.77  ? 20  TYR   A N   1 
ATOM   168  C  CA  . TYR   A 1 20  ? 30.546 -32.845 4.111   1.00 33.12  ? 20  TYR   A CA  1 
ATOM   169  C  C   . TYR   A 1 20  ? 30.271 -34.006 3.155   1.00 31.76  ? 20  TYR   A C   1 
ATOM   170  O  O   . TYR   A 1 20  ? 30.512 -33.938 1.939   1.00 33.25  ? 20  TYR   A O   1 
ATOM   171  C  CB  . TYR   A 1 20  ? 29.278 -32.015 4.307   1.00 31.36  ? 20  TYR   A CB  1 
ATOM   172  C  CG  . TYR   A 1 20  ? 28.251 -32.634 5.208   1.00 35.24  ? 20  TYR   A CG  1 
ATOM   173  C  CD1 . TYR   A 1 20  ? 28.267 -32.418 6.585   1.00 41.98  ? 20  TYR   A CD1 1 
ATOM   174  C  CD2 . TYR   A 1 20  ? 27.255 -33.432 4.681   1.00 37.85  ? 20  TYR   A CD2 1 
ATOM   175  C  CE1 . TYR   A 1 20  ? 27.259 -32.955 7.403   1.00 48.37  ? 20  TYR   A CE1 1 
ATOM   176  C  CE2 . TYR   A 1 20  ? 26.259 -33.991 5.492   1.00 39.25  ? 20  TYR   A CE2 1 
ATOM   177  C  CZ  . TYR   A 1 20  ? 26.275 -33.749 6.849   1.00 44.41  ? 20  TYR   A CZ  1 
ATOM   178  O  OH  . TYR   A 1 20  ? 25.273 -34.310 7.639   1.00 50.20  ? 20  TYR   A OH  1 
ATOM   179  N  N   . GLU   A 1 21  ? 29.829 -35.114 3.736   1.00 38.13  ? 21  GLU   A N   1 
ATOM   180  C  CA  . GLU   A 1 21  ? 29.578 -36.310 2.938   1.00 40.46  ? 21  GLU   A CA  1 
ATOM   181  C  C   . GLU   A 1 21  ? 28.608 -36.003 1.802   1.00 29.93  ? 21  GLU   A C   1 
ATOM   182  O  O   . GLU   A 1 21  ? 27.496 -35.495 2.042   1.00 36.97  ? 21  GLU   A O   1 
ATOM   183  C  CB  . GLU   A 1 21  ? 29.024 -37.406 3.835   1.00 44.80  ? 21  GLU   A CB  1 
ATOM   184  C  CG  . GLU   A 1 21  ? 28.967 -38.686 3.133   1.00 49.92  ? 21  GLU   A CG  1 
ATOM   185  C  CD  . GLU   A 1 21  ? 28.688 -39.829 4.083   1.00 58.80  ? 21  GLU   A CD  1 
ATOM   186  O  OE1 . GLU   A 1 21  ? 27.591 -39.826 4.697   1.00 43.35  ? 21  GLU   A OE1 1 
ATOM   187  O  OE2 . GLU   A 1 21  ? 29.590 -40.687 4.225   1.00 54.19  ? 21  GLU   A OE2 1 
ATOM   188  N  N   . GLY   A 1 22  ? 29.017 -36.303 0.563   1.00 30.69  ? 22  GLY   A N   1 
ATOM   189  C  CA  . GLY   A 1 22  ? 28.190 -35.986 -0.595  1.00 27.12  ? 22  GLY   A CA  1 
ATOM   190  C  C   . GLY   A 1 22  ? 28.295 -34.544 -1.083  1.00 32.34  ? 22  GLY   A C   1 
ATOM   191  O  O   . GLY   A 1 22  ? 27.708 -34.216 -2.127  1.00 29.43  ? 22  GLY   A O   1 
ATOM   192  N  N   . GLY   A 1 23  ? 29.025 -33.688 -0.361  1.00 32.57  ? 23  GLY   A N   1 
ATOM   193  C  CA  . GLY   A 1 23  ? 29.098 -32.263 -0.707  1.00 29.42  ? 23  GLY   A CA  1 
ATOM   194  C  C   . GLY   A 1 23  ? 29.706 -31.968 -2.063  1.00 27.41  ? 23  GLY   A C   1 
ATOM   195  O  O   . GLY   A 1 23  ? 29.435 -30.890 -2.641  1.00 29.05  ? 23  GLY   A O   1 
ATOM   196  N  N   . HIS   A 1 24  ? 30.514 -32.877 -2.583  1.00 27.09  ? 24  HIS   A N   1 
ATOM   197  C  CA  . HIS   A 1 24  ? 31.125 -32.698 -3.893  1.00 28.64  ? 24  HIS   A CA  1 
ATOM   198  C  C   . HIS   A 1 24  ? 30.082 -32.442 -4.967  1.00 29.00  ? 24  HIS   A C   1 
ATOM   199  O  O   . HIS   A 1 24  ? 30.414 -31.850 -5.999  1.00 27.20  ? 24  HIS   A O   1 
ATOM   200  C  CB  . HIS   A 1 24  ? 31.987 -33.912 -4.255  1.00 26.68  ? 24  HIS   A CB  1 
ATOM   201  C  CG  . HIS   A 1 24  ? 31.196 -35.174 -4.420  1.00 31.04  ? 24  HIS   A CG  1 
ATOM   202  N  ND1 . HIS   A 1 24  ? 30.854 -35.960 -3.344  1.00 31.85  ? 24  HIS   A ND1 1 
ATOM   203  C  CD2 . HIS   A 1 24  ? 30.676 -35.769 -5.521  1.00 27.12  ? 24  HIS   A CD2 1 
ATOM   204  C  CE1 . HIS   A 1 24  ? 30.132 -36.997 -3.770  1.00 32.07  ? 24  HIS   A CE1 1 
ATOM   205  N  NE2 . HIS   A 1 24  ? 30.023 -36.921 -5.091  1.00 29.58  ? 24  HIS   A NE2 1 
ATOM   206  N  N   . ILE   A 1 25  ? 28.830 -32.917 -4.805  1.00 25.33  ? 25  ILE   A N   1 
ATOM   207  C  CA  . ILE   A 1 25  ? 27.877 -32.677 -5.868  1.00 24.37  ? 25  ILE   A CA  1 
ATOM   208  C  C   . ILE   A 1 25  ? 27.420 -31.240 -5.985  1.00 24.21  ? 25  ILE   A C   1 
ATOM   209  O  O   . ILE   A 1 25  ? 26.894 -30.883 -7.029  1.00 26.84  ? 25  ILE   A O   1 
ATOM   210  C  CB  . ILE   A 1 25  ? 26.632 -33.568 -5.684  1.00 23.89  ? 25  ILE   A CB  1 
ATOM   211  C  CG1 . ILE   A 1 25  ? 25.749 -33.060 -4.553  1.00 25.64  ? 25  ILE   A CG1 1 
ATOM   212  C  CG2 . ILE   A 1 25  ? 27.090 -35.054 -5.516  1.00 27.32  ? 25  ILE   A CG2 1 
ATOM   213  C  CD1 . ILE   A 1 25  ? 24.386 -33.947 -4.505  1.00 28.13  ? 25  ILE   A CD1 1 
ATOM   214  N  N   . PHE   A 1 26  ? 27.748 -30.390 -4.996  1.00 28.18  ? 26  PHE   A N   1 
ATOM   215  C  CA  . PHE   A 1 26  ? 27.405 -28.971 -5.042  1.00 23.37  ? 26  PHE   A CA  1 
ATOM   216  C  C   . PHE   A 1 26  ? 28.623 -28.129 -5.302  1.00 28.21  ? 26  PHE   A C   1 
ATOM   217  O  O   . PHE   A 1 26  ? 28.477 -26.889 -5.383  1.00 27.86  ? 26  PHE   A O   1 
ATOM   218  C  CB  . PHE   A 1 26  ? 26.742 -28.536 -3.736  1.00 22.60  ? 26  PHE   A CB  1 
ATOM   219  C  CG  . PHE   A 1 26  ? 25.461 -29.305 -3.445  1.00 23.79  ? 26  PHE   A CG  1 
ATOM   220  C  CD1 . PHE   A 1 26  ? 24.391 -29.158 -4.276  1.00 28.84  ? 26  PHE   A CD1 1 
ATOM   221  C  CD2 . PHE   A 1 26  ? 25.374 -30.074 -2.308  1.00 28.43  ? 26  PHE   A CD2 1 
ATOM   222  C  CE1 . PHE   A 1 26  ? 23.175 -29.848 -4.032  1.00 29.07  ? 26  PHE   A CE1 1 
ATOM   223  C  CE2 . PHE   A 1 26  ? 24.139 -30.822 -2.048  1.00 28.38  ? 26  PHE   A CE2 1 
ATOM   224  C  CZ  . PHE   A 1 26  ? 23.082 -30.709 -2.926  1.00 33.59  ? 26  PHE   A CZ  1 
ATOM   225  N  N   . GLU   A 1 27  ? 29.787 -28.759 -5.472  1.00 24.41  ? 27  GLU   A N   1 
ATOM   226  C  CA  . GLU   A 1 27  ? 31.036 -27.967 -5.496  1.00 24.41  ? 27  GLU   A CA  1 
ATOM   227  C  C   . GLU   A 1 27  ? 31.119 -27.110 -6.744  1.00 30.12  ? 27  GLU   A C   1 
ATOM   228  O  O   . GLU   A 1 27  ? 31.486 -25.917 -6.672  1.00 29.59  ? 27  GLU   A O   1 
ATOM   229  C  CB  . GLU   A 1 27  ? 32.249 -28.896 -5.368  1.00 24.70  ? 27  GLU   A CB  1 
ATOM   230  C  CG  . GLU   A 1 27  ? 33.598 -28.063 -5.243  1.00 25.44  ? 27  GLU   A CG  1 
ATOM   231  C  CD  . GLU   A 1 27  ? 33.687 -27.319 -3.948  1.00 33.67  ? 27  GLU   A CD  1 
ATOM   232  O  OE1 . GLU   A 1 27  ? 33.093 -27.765 -2.936  1.00 28.29  ? 27  GLU   A OE1 1 
ATOM   233  O  OE2 . GLU   A 1 27  ? 34.345 -26.218 -3.932  1.00 30.88  ? 27  GLU   A OE2 1 
ATOM   234  N  N   . LYS   A 1 28  ? 30.918 -27.716 -7.901  1.00 29.13  ? 28  LYS   A N   1 
ATOM   235  C  CA  . LYS   A 1 28  ? 30.932 -27.046 -9.198  1.00 26.15  ? 28  LYS   A CA  1 
ATOM   236  C  C   . LYS   A 1 28  ? 29.535 -26.930 -9.766  1.00 29.26  ? 28  LYS   A C   1 
ATOM   237  O  O   . LYS   A 1 28  ? 28.631 -27.717 -9.406  1.00 26.92  ? 28  LYS   A O   1 
ATOM   238  C  CB  . LYS   A 1 28  ? 31.800 -27.800 -10.212 1.00 27.37  ? 28  LYS   A CB  1 
ATOM   239  C  CG  . LYS   A 1 28  ? 33.208 -28.080 -9.763  1.00 34.00  ? 28  LYS   A CG  1 
ATOM   240  C  CD  . LYS   A 1 28  ? 33.887 -26.747 -9.433  1.00 35.53  ? 28  LYS   A CD  1 
ATOM   241  C  CE  . LYS   A 1 28  ? 35.388 -26.997 -9.236  1.00 51.26  ? 28  LYS   A CE  1 
ATOM   242  N  NZ  . LYS   A 1 28  ? 36.146 -25.795 -8.812  1.00 59.29  ? 28  LYS   A NZ  1 
ATOM   243  N  N   . LEU   A 1 29  ? 29.378 -26.038 -10.750 1.00 28.45  ? 29  LEU   A N   1 
ATOM   244  C  CA  . LEU   A 1 29  ? 28.100 -25.957 -11.457 1.00 29.65  ? 29  LEU   A CA  1 
ATOM   245  C  C   . LEU   A 1 29  ? 27.861 -27.230 -12.264 1.00 28.54  ? 29  LEU   A C   1 
ATOM   246  O  O   . LEU   A 1 29  ? 28.779 -27.882 -12.757 1.00 29.11  ? 29  LEU   A O   1 
ATOM   247  C  CB  . LEU   A 1 29  ? 28.052 -24.736 -12.388 1.00 32.05  ? 29  LEU   A CB  1 
ATOM   248  C  CG  . LEU   A 1 29  ? 28.036 -23.423 -11.623 1.00 30.30  ? 29  LEU   A CG  1 
ATOM   249  C  CD1 . LEU   A 1 29  ? 28.580 -22.351 -12.570 1.00 34.22  ? 29  LEU   A CD1 1 
ATOM   250  C  CD2 . LEU   A 1 29  ? 26.644 -23.098 -11.122 1.00 30.50  ? 29  LEU   A CD2 1 
ATOM   251  N  N   . VAL   A 1 30  ? 26.587 -27.612 -12.354 1.00 29.40  ? 30  VAL   A N   1 
ATOM   252  C  CA  . VAL   A 1 30  ? 26.219 -28.842 -13.043 1.00 29.31  ? 30  VAL   A CA  1 
ATOM   253  C  C   . VAL   A 1 30  ? 26.568 -28.720 -14.520 1.00 30.45  ? 30  VAL   A C   1 
ATOM   254  O  O   . VAL   A 1 30  ? 26.269 -27.700 -15.161 1.00 31.43  ? 30  VAL   A O   1 
ATOM   255  C  CB  . VAL   A 1 30  ? 24.709 -29.085 -12.851 1.00 30.03  ? 30  VAL   A CB  1 
ATOM   256  C  CG1 . VAL   A 1 30  ? 24.261 -30.243 -13.706 1.00 36.24  ? 30  VAL   A CG1 1 
ATOM   257  C  CG2 . VAL   A 1 30  ? 24.407 -29.301 -11.396 1.00 32.37  ? 30  VAL   A CG2 1 
ATOM   258  N  N   . ASP   A 1 31  ? 27.205 -29.745 -15.072 1.00 29.84  ? 31  ASP   A N   1 
ATOM   259  C  CA  . ASP   A 1 31  ? 27.431 -29.837 -16.517 1.00 27.33  ? 31  ASP   A CA  1 
ATOM   260  C  C   . ASP   A 1 31  ? 26.256 -30.601 -17.149 1.00 29.67  ? 31  ASP   A C   1 
ATOM   261  O  O   . ASP   A 1 31  ? 26.110 -31.821 -16.926 1.00 33.06  ? 31  ASP   A O   1 
ATOM   262  C  CB  . ASP   A 1 31  ? 28.770 -30.528 -16.756 1.00 32.71  ? 31  ASP   A CB  1 
ATOM   263  C  CG  . ASP   A 1 31  ? 29.168 -30.565 -18.224 1.00 40.73  ? 31  ASP   A CG  1 
ATOM   264  O  OD1 . ASP   A 1 31  ? 28.327 -30.852 -19.114 1.00 34.92  ? 31  ASP   A OD1 1 
ATOM   265  O  OD2 . ASP   A 1 31  ? 30.353 -30.302 -18.503 1.00 38.85  ? 31  ASP   A OD2 1 
ATOM   266  N  N   . ALA   A 1 32  ? 25.402 -29.895 -17.907 1.00 30.30  ? 32  ALA   A N   1 
ATOM   267  C  CA  . ALA   A 1 32  ? 24.099 -30.500 -18.247 1.00 31.37  ? 32  ALA   A CA  1 
ATOM   268  C  C   . ALA   A 1 32  ? 24.290 -31.786 -19.062 1.00 41.99  ? 32  ALA   A C   1 
ATOM   269  O  O   . ALA   A 1 32  ? 23.583 -32.782 -18.854 1.00 36.59  ? 32  ALA   A O   1 
ATOM   270  C  CB  . ALA   A 1 32  ? 23.232 -29.508 -18.991 1.00 33.80  ? 32  ALA   A CB  1 
ATOM   271  N  N   . LYS   A 1 33  ? 25.269 -31.791 -19.962 1.00 35.84  ? 33  LYS   A N   1 
ATOM   272  C  CA  . LYS   A 1 33  ? 25.570 -32.960 -20.792 1.00 43.97  ? 33  LYS   A CA  1 
ATOM   273  C  C   . LYS   A 1 33  ? 26.244 -34.066 -19.981 1.00 46.87  ? 33  LYS   A C   1 
ATOM   274  O  O   . LYS   A 1 33  ? 25.817 -35.242 -20.007 1.00 39.27  ? 33  LYS   A O   1 
ATOM   275  C  CB  . LYS   A 1 33  ? 26.457 -32.524 -21.970 1.00 50.21  ? 33  LYS   A CB  1 
ATOM   276  C  CG  . LYS   A 1 33  ? 26.766 -33.586 -23.007 1.00 60.11  ? 33  LYS   A CG  1 
ATOM   277  C  CD  . LYS   A 1 33  ? 27.578 -33.009 -24.179 1.00 65.62  ? 33  LYS   A CD  1 
ATOM   278  N  N   . LYS   A 1 34  ? 27.277 -33.708 -19.233 1.00 38.60  ? 34  LYS   A N   1 
ATOM   279  C  CA  . LYS   A 1 34  ? 28.078 -34.703 -18.528 1.00 36.17  ? 34  LYS   A CA  1 
ATOM   280  C  C   . LYS   A 1 34  ? 27.294 -35.374 -17.392 1.00 41.80  ? 34  LYS   A C   1 
ATOM   281  O  O   . LYS   A 1 34  ? 27.482 -36.556 -17.121 1.00 37.91  ? 34  LYS   A O   1 
ATOM   282  C  CB  . LYS   A 1 34  ? 29.376 -34.046 -18.016 1.00 38.04  ? 34  LYS   A CB  1 
ATOM   283  C  CG  . LYS   A 1 34  ? 30.216 -34.908 -17.112 1.00 54.54  ? 34  LYS   A CG  1 
ATOM   284  N  N   A GLN   A 1 35  ? 26.400 -34.644 -16.728 0.45 34.21  ? 35  GLN   A N   1 
ATOM   285  N  N   B GLN   A 1 35  ? 26.410 -34.638 -16.728 0.55 34.15  ? 35  GLN   A N   1 
ATOM   286  C  CA  A GLN   A 1 35  ? 25.574 -35.236 -15.683 0.45 34.97  ? 35  GLN   A CA  1 
ATOM   287  C  CA  B GLN   A 1 35  ? 25.585 -35.202 -15.675 0.55 34.99  ? 35  GLN   A CA  1 
ATOM   288  C  C   A GLN   A 1 35  ? 24.252 -35.776 -16.216 0.45 34.99  ? 35  GLN   A C   1 
ATOM   289  C  C   B GLN   A 1 35  ? 24.245 -35.732 -16.209 0.55 35.04  ? 35  GLN   A C   1 
ATOM   290  O  O   A GLN   A 1 35  ? 23.374 -36.110 -15.423 0.45 35.75  ? 35  GLN   A O   1 
ATOM   291  O  O   B GLN   A 1 35  ? 23.351 -36.013 -15.416 0.55 35.66  ? 35  GLN   A O   1 
ATOM   292  C  CB  A GLN   A 1 35  ? 25.318 -34.218 -14.560 0.45 33.60  ? 35  GLN   A CB  1 
ATOM   293  C  CB  B GLN   A 1 35  ? 25.379 -34.144 -14.564 0.55 33.54  ? 35  GLN   A CB  1 
ATOM   294  C  CG  A GLN   A 1 35  ? 26.532 -33.989 -13.677 0.45 35.55  ? 35  GLN   A CG  1 
ATOM   295  C  CG  B GLN   A 1 35  ? 26.491 -34.106 -13.460 0.55 35.45  ? 35  GLN   A CG  1 
ATOM   296  C  CD  A GLN   A 1 35  ? 27.228 -35.272 -13.268 0.45 36.69  ? 35  GLN   A CD  1 
ATOM   297  C  CD  B GLN   A 1 35  ? 27.821 -33.437 -13.880 0.55 39.45  ? 35  GLN   A CD  1 
ATOM   298  O  OE1 A GLN   A 1 35  ? 26.590 -36.260 -12.882 0.45 38.99  ? 35  GLN   A OE1 1 
ATOM   299  O  OE1 B GLN   A 1 35  ? 27.954 -32.195 -13.951 0.55 32.86  ? 35  GLN   A OE1 1 
ATOM   300  N  NE2 A GLN   A 1 35  ? 28.558 -35.259 -13.339 0.45 46.83  ? 35  GLN   A NE2 1 
ATOM   301  N  NE2 B GLN   A 1 35  ? 28.826 -34.265 -14.109 0.55 31.68  ? 35  GLN   A NE2 1 
ATOM   302  N  N   . ASN   A 1 36  ? 24.088 -35.832 -17.534 1.00 29.87  ? 36  ASN   A N   1 
ATOM   303  C  CA  . ASN   A 1 36  ? 22.915 -36.442 -18.167 1.00 31.50  ? 36  ASN   A CA  1 
ATOM   304  C  C   . ASN   A 1 36  ? 21.615 -35.775 -17.755 1.00 39.86  ? 36  ASN   A C   1 
ATOM   305  O  O   . ASN   A 1 36  ? 20.594 -36.420 -17.525 1.00 38.47  ? 36  ASN   A O   1 
ATOM   306  C  CB  . ASN   A 1 36  ? 22.865 -37.957 -17.897 1.00 33.57  ? 36  ASN   A CB  1 
ATOM   307  C  CG  . ASN   A 1 36  ? 23.995 -38.665 -18.554 1.00 33.48  ? 36  ASN   A CG  1 
ATOM   308  O  OD1 . ASN   A 1 36  ? 24.080 -38.674 -19.789 1.00 48.20  ? 36  ASN   A OD1 1 
ATOM   309  N  ND2 . ASN   A 1 36  ? 24.916 -39.219 -17.758 1.00 39.58  ? 36  ASN   A ND2 1 
ATOM   310  N  N   A CYS   A 1 37  ? 21.638 -34.457 -17.682 0.55 32.30  ? 37  CYS   A N   1 
ATOM   311  N  N   B CYS   A 1 37  ? 21.651 -34.451 -17.643 0.45 32.25  ? 37  CYS   A N   1 
ATOM   312  C  CA  A CYS   A 1 37  ? 20.457 -33.688 -17.317 0.55 33.99  ? 37  CYS   A CA  1 
ATOM   313  C  CA  B CYS   A 1 37  ? 20.479 -33.649 -17.299 0.45 33.96  ? 37  CYS   A CA  1 
ATOM   314  C  C   A CYS   A 1 37  ? 20.340 -32.524 -18.286 0.55 33.35  ? 37  CYS   A C   1 
ATOM   315  C  C   B CYS   A 1 37  ? 20.362 -32.510 -18.299 0.45 33.38  ? 37  CYS   A C   1 
ATOM   316  O  O   A CYS   A 1 37  ? 20.529 -31.353 -17.916 0.55 31.65  ? 37  CYS   A O   1 
ATOM   317  O  O   B CYS   A 1 37  ? 20.572 -31.336 -17.956 0.45 31.64  ? 37  CYS   A O   1 
ATOM   318  C  CB  A CYS   A 1 37  ? 20.537 -33.251 -15.854 0.55 31.85  ? 37  CYS   A CB  1 
ATOM   319  C  CB  B CYS   A 1 37  ? 20.569 -33.109 -15.870 0.45 32.20  ? 37  CYS   A CB  1 
ATOM   320  S  SG  A CYS   A 1 37  ? 22.092 -32.488 -15.386 0.55 29.04  ? 37  CYS   A SG  1 
ATOM   321  S  SG  B CYS   A 1 37  ? 20.800 -34.296 -14.554 0.45 43.08  ? 37  CYS   A SG  1 
ATOM   322  N  N   . PRO   A 1 38  ? 20.018 -32.817 -19.553 1.00 33.50  ? 38  PRO   A N   1 
ATOM   323  C  CA  . PRO   A 1 38  ? 20.052 -31.771 -20.595 1.00 35.37  ? 38  PRO   A CA  1 
ATOM   324  C  C   . PRO   A 1 38  ? 19.104 -30.605 -20.370 1.00 37.18  ? 38  PRO   A C   1 
ATOM   325  O  O   . PRO   A 1 38  ? 19.383 -29.533 -20.890 1.00 37.16  ? 38  PRO   A O   1 
ATOM   326  C  CB  . PRO   A 1 38  ? 19.701 -32.536 -21.879 1.00 39.81  ? 38  PRO   A CB  1 
ATOM   327  C  CG  . PRO   A 1 38  ? 18.951 -33.774 -21.400 1.00 35.26  ? 38  PRO   A CG  1 
ATOM   328  C  CD  . PRO   A 1 38  ? 19.628 -34.131 -20.095 1.00 38.15  ? 38  PRO   A CD  1 
ATOM   329  N  N   . ASP   A 1 39  ? 18.032 -30.775 -19.605 1.00 31.38  ? 39  ASP   A N   1 
ATOM   330  C  CA  . ASP   A 1 39  ? 17.078 -29.722 -19.288 1.00 33.29  ? 39  ASP   A CA  1 
ATOM   331  C  C   . ASP   A 1 39  ? 17.415 -28.925 -18.027 1.00 37.18  ? 39  ASP   A C   1 
ATOM   332  O  O   . ASP   A 1 39  ? 16.608 -28.086 -17.616 1.00 33.61  ? 39  ASP   A O   1 
ATOM   333  C  CB  . ASP   A 1 39  ? 15.689 -30.336 -19.138 1.00 35.67  ? 39  ASP   A CB  1 
ATOM   334  C  CG  . ASP   A 1 39  ? 15.583 -31.276 -17.943 1.00 39.04  ? 39  ASP   A CG  1 
ATOM   335  O  OD1 . ASP   A 1 39  ? 16.609 -31.696 -17.352 1.00 35.57  ? 39  ASP   A OD1 1 
ATOM   336  O  OD2 . ASP   A 1 39  ? 14.445 -31.631 -17.579 1.00 44.55  ? 39  ASP   A OD2 1 
ATOM   337  N  N   . TYR   A 1 40  ? 18.609 -29.122 -17.437 1.00 30.81  ? 40  TYR   A N   1 
ATOM   338  C  CA  . TYR   A 1 40  ? 18.867 -28.569 -16.112 1.00 26.90  ? 40  TYR   A CA  1 
ATOM   339  C  C   . TYR   A 1 40  ? 18.701 -27.038 -16.107 1.00 30.56  ? 40  TYR   A C   1 
ATOM   340  O  O   . TYR   A 1 40  ? 18.058 -26.464 -15.213 1.00 31.11  ? 40  TYR   A O   1 
ATOM   341  C  CB  . TYR   A 1 40  ? 20.294 -28.962 -15.649 1.00 28.26  ? 40  TYR   A CB  1 
ATOM   342  C  CG  . TYR   A 1 40  ? 20.601 -28.430 -14.284 1.00 29.64  ? 40  TYR   A CG  1 
ATOM   343  C  CD1 . TYR   A 1 40  ? 20.147 -29.085 -13.170 1.00 28.01  ? 40  TYR   A CD1 1 
ATOM   344  C  CD2 . TYR   A 1 40  ? 21.365 -27.229 -14.104 1.00 26.17  ? 40  TYR   A CD2 1 
ATOM   345  C  CE1 . TYR   A 1 40  ? 20.366 -28.628 -11.897 1.00 28.90  ? 40  TYR   A CE1 1 
ATOM   346  C  CE2 . TYR   A 1 40  ? 21.553 -26.720 -12.833 1.00 30.54  ? 40  TYR   A CE2 1 
ATOM   347  C  CZ  . TYR   A 1 40  ? 21.114 -27.416 -11.732 1.00 26.88  ? 40  TYR   A CZ  1 
ATOM   348  O  OH  . TYR   A 1 40  ? 21.334 -26.986 -10.448 1.00 32.43  ? 40  TYR   A OH  1 
ATOM   349  N  N   . TYR   A 1 41  ? 19.296 -26.369 -17.088 1.00 30.49  ? 41  TYR   A N   1 
ATOM   350  C  CA  . TYR   A 1 41  ? 19.283 -24.911 -17.160 1.00 29.42  ? 41  TYR   A CA  1 
ATOM   351  C  C   . TYR   A 1 41  ? 18.006 -24.381 -17.797 1.00 32.51  ? 41  TYR   A C   1 
ATOM   352  O  O   . TYR   A 1 41  ? 17.839 -23.168 -17.871 1.00 39.02  ? 41  TYR   A O   1 
ATOM   353  C  CB  . TYR   A 1 41  ? 20.547 -24.396 -17.894 1.00 30.96  ? 41  TYR   A CB  1 
ATOM   354  C  CG  . TYR   A 1 41  ? 21.781 -24.709 -17.070 1.00 30.82  ? 41  TYR   A CG  1 
ATOM   355  C  CD1 . TYR   A 1 41  ? 21.966 -24.072 -15.831 1.00 32.81  ? 41  TYR   A CD1 1 
ATOM   356  C  CD2 . TYR   A 1 41  ? 22.722 -25.682 -17.478 1.00 28.29  ? 41  TYR   A CD2 1 
ATOM   357  C  CE1 . TYR   A 1 41  ? 23.062 -24.352 -15.021 1.00 29.54  ? 41  TYR   A CE1 1 
ATOM   358  C  CE2 . TYR   A 1 41  ? 23.841 -26.000 -16.670 1.00 29.00  ? 41  TYR   A CE2 1 
ATOM   359  C  CZ  . TYR   A 1 41  ? 24.005 -25.316 -15.431 1.00 27.78  ? 41  TYR   A CZ  1 
ATOM   360  O  OH  . TYR   A 1 41  ? 25.043 -25.566 -14.583 1.00 31.64  ? 41  TYR   A OH  1 
ATOM   361  N  N   . ASP   A 1 42  ? 17.145 -25.259 -18.278 1.00 35.31  ? 42  ASP   A N   1 
ATOM   362  C  CA  . ASP   A 1 42  ? 15.751 -24.870 -18.538 1.00 36.32  ? 42  ASP   A CA  1 
ATOM   363  C  C   . ASP   A 1 42  ? 14.927 -24.768 -17.258 1.00 32.80  ? 42  ASP   A C   1 
ATOM   364  O  O   . ASP   A 1 42  ? 13.956 -23.997 -17.208 1.00 42.56  ? 42  ASP   A O   1 
ATOM   365  C  CB  . ASP   A 1 42  ? 15.136 -25.876 -19.513 1.00 38.92  ? 42  ASP   A CB  1 
ATOM   366  C  CG  . ASP   A 1 42  ? 15.843 -25.860 -20.851 1.00 46.87  ? 42  ASP   A CG  1 
ATOM   367  O  OD1 . ASP   A 1 42  ? 16.231 -24.743 -21.279 1.00 50.39  ? 42  ASP   A OD1 1 
ATOM   368  O  OD2 . ASP   A 1 42  ? 16.054 -26.938 -21.447 1.00 53.47  ? 42  ASP   A OD2 1 
ATOM   369  N  N   . VAL   A 1 43  ? 15.267 -25.525 -16.223 1.00 33.76  ? 43  VAL   A N   1 
ATOM   370  C  CA  . VAL   A 1 43  ? 14.532 -25.518 -14.960 1.00 27.98  ? 43  VAL   A CA  1 
ATOM   371  C  C   . VAL   A 1 43  ? 15.163 -24.566 -13.945 1.00 31.62  ? 43  VAL   A C   1 
ATOM   372  O  O   . VAL   A 1 43  ? 14.456 -23.866 -13.205 1.00 31.70  ? 43  VAL   A O   1 
ATOM   373  C  CB  . VAL   A 1 43  ? 14.440 -26.949 -14.391 1.00 33.13  ? 43  VAL   A CB  1 
ATOM   374  C  CG1 . VAL   A 1 43  ? 13.754 -26.904 -13.029 1.00 31.14  ? 43  VAL   A CG1 1 
ATOM   375  C  CG2 . VAL   A 1 43  ? 13.700 -27.865 -15.361 1.00 32.24  ? 43  VAL   A CG2 1 
ATOM   376  N  N   . ILE   A 1 44  ? 16.496 -24.526 -13.902 1.00 34.23  ? 44  ILE   A N   1 
ATOM   377  C  CA  . ILE   A 1 44  ? 17.254 -23.758 -12.912 1.00 32.56  ? 44  ILE   A CA  1 
ATOM   378  C  C   . ILE   A 1 44  ? 17.791 -22.508 -13.594 1.00 32.13  ? 44  ILE   A C   1 
ATOM   379  O  O   . ILE   A 1 44  ? 18.693 -22.595 -14.431 1.00 32.68  ? 44  ILE   A O   1 
ATOM   380  C  CB  . ILE   A 1 44  ? 18.399 -24.602 -12.327 1.00 27.53  ? 44  ILE   A CB  1 
ATOM   381  C  CG1 . ILE   A 1 44  ? 17.810 -25.846 -11.630 1.00 26.59  ? 44  ILE   A CG1 1 
ATOM   382  C  CG2 . ILE   A 1 44  ? 19.286 -23.750 -11.387 1.00 33.29  ? 44  ILE   A CG2 1 
ATOM   383  C  CD1 . ILE   A 1 44  ? 16.716 -25.503 -10.608 1.00 28.99  ? 44  ILE   A CD1 1 
ATOM   384  N  N   . LYS   A 1 45  ? 17.155 -21.371 -13.285 1.00 29.05  ? 45  LYS   A N   1 
ATOM   385  C  CA  . LYS   A 1 45  ? 17.482 -20.108 -13.922 1.00 35.81  ? 45  LYS   A CA  1 
ATOM   386  C  C   . LYS   A 1 45  ? 18.561 -19.362 -13.180 1.00 35.15  ? 45  LYS   A C   1 
ATOM   387  O  O   . LYS   A 1 45  ? 19.193 -18.488 -13.774 1.00 36.24  ? 45  LYS   A O   1 
ATOM   388  C  CB  . LYS   A 1 45  ? 16.228 -19.226 -14.028 1.00 37.82  ? 45  LYS   A CB  1 
ATOM   389  C  CG  . LYS   A 1 45  ? 15.164 -19.785 -15.018 1.00 45.97  ? 45  LYS   A CG  1 
ATOM   390  C  CD  . LYS   A 1 45  ? 15.862 -20.184 -16.325 1.00 55.64  ? 45  LYS   A CD  1 
ATOM   391  C  CE  . LYS   A 1 45  ? 14.935 -20.830 -17.363 1.00 65.09  ? 45  LYS   A CE  1 
ATOM   392  N  NZ  . LYS   A 1 45  ? 15.738 -21.205 -18.592 1.00 60.67  ? 45  LYS   A NZ  1 
ATOM   393  N  N   . ASN   A 1 46  ? 18.769 -19.667 -11.895 1.00 32.19  ? 46  ASN   A N   1 
ATOM   394  C  CA  . ASN   A 1 46  ? 19.775 -18.982 -11.076 1.00 30.94  ? 46  ASN   A CA  1 
ATOM   395  C  C   . ASN   A 1 46  ? 20.657 -20.068 -10.475 1.00 26.87  ? 46  ASN   A C   1 
ATOM   396  O  O   . ASN   A 1 46  ? 20.590 -20.349 -9.271  1.00 29.58  ? 46  ASN   A O   1 
ATOM   397  C  CB  . ASN   A 1 46  ? 19.128 -18.127 -9.996  1.00 30.28  ? 46  ASN   A CB  1 
ATOM   398  C  CG  . ASN   A 1 46  ? 18.279 -17.011 -10.577 1.00 45.61  ? 46  ASN   A CG  1 
ATOM   399  O  OD1 . ASN   A 1 46  ? 17.074 -17.021 -10.446 1.00 56.24  ? 46  ASN   A OD1 1 
ATOM   400  N  ND2 . ASN   A 1 46  ? 18.912 -16.070 -11.251 1.00 46.43  ? 46  ASN   A ND2 1 
ATOM   401  N  N   . PRO   A 1 47  ? 21.566 -20.605 -11.263 1.00 30.09  ? 47  PRO   A N   1 
ATOM   402  C  CA  . PRO   A 1 47  ? 22.446 -21.671 -10.765 1.00 31.58  ? 47  PRO   A CA  1 
ATOM   403  C  C   . PRO   A 1 47  ? 23.482 -21.133 -9.792  1.00 32.93  ? 47  PRO   A C   1 
ATOM   404  O  O   . PRO   A 1 47  ? 23.849 -19.952 -9.813  1.00 30.48  ? 47  PRO   A O   1 
ATOM   405  C  CB  . PRO   A 1 47  ? 23.109 -22.217 -12.039 1.00 35.03  ? 47  PRO   A CB  1 
ATOM   406  C  CG  . PRO   A 1 47  ? 22.979 -21.166 -13.035 1.00 33.48  ? 47  PRO   A CG  1 
ATOM   407  C  CD  . PRO   A 1 47  ? 21.760 -20.350 -12.701 1.00 31.18  ? 47  PRO   A CD  1 
ATOM   408  N  N   . MET   A 1 48  ? 23.944 -22.025 -8.924  1.00 28.99  ? 48  MET   A N   1 
ATOM   409  C  CA  . MET   A 1 48  ? 24.851 -21.694 -7.832  1.00 29.02  ? 48  MET   A CA  1 
ATOM   410  C  C   . MET   A 1 48  ? 25.568 -22.959 -7.346  1.00 29.01  ? 48  MET   A C   1 
ATOM   411  O  O   . MET   A 1 48  ? 24.961 -24.030 -7.237  1.00 28.00  ? 48  MET   A O   1 
ATOM   412  C  CB  . MET   A 1 48  ? 24.071 -21.049 -6.675  1.00 30.12  ? 48  MET   A CB  1 
ATOM   413  C  CG  . MET   A 1 48  ? 24.963 -20.396 -5.634  1.00 29.43  ? 48  MET   A CG  1 
ATOM   414  S  SD  . MET   A 1 48  ? 26.013 -18.994 -6.229  1.00 30.12  ? 48  MET   A SD  1 
ATOM   415  C  CE  . MET   A 1 48  ? 24.727 -17.821 -6.739  1.00 32.17  ? 48  MET   A CE  1 
ATOM   416  N  N   . SER   A 1 49  ? 26.821 -22.802 -6.967  1.00 25.53  ? 49  SER   A N   1 
ATOM   417  C  CA  . SER   A 1 49  ? 27.675 -23.890 -6.491  1.00 25.13  ? 49  SER   A CA  1 
ATOM   418  C  C   . SER   A 1 49  ? 28.556 -23.371 -5.356  1.00 28.99  ? 49  SER   A C   1 
ATOM   419  O  O   . SER   A 1 49  ? 28.710 -22.149 -5.184  1.00 27.19  ? 49  SER   A O   1 
ATOM   420  C  CB  . SER   A 1 49  ? 28.516 -24.446 -7.646  1.00 29.39  ? 49  SER   A CB  1 
ATOM   421  O  OG  . SER   A 1 49  ? 29.645 -23.575 -7.928  1.00 29.66  ? 49  SER   A OG  1 
ATOM   422  N  N   . PHE   A 1 50  ? 29.142 -24.277 -4.576  1.00 28.39  ? 50  PHE   A N   1 
ATOM   423  C  CA  . PHE   A 1 50  ? 30.078 -23.855 -3.523  1.00 27.25  ? 50  PHE   A CA  1 
ATOM   424  C  C   . PHE   A 1 50  ? 31.243 -23.054 -4.105  1.00 30.60  ? 50  PHE   A C   1 
ATOM   425  O  O   . PHE   A 1 50  ? 31.726 -22.102 -3.473  1.00 29.34  ? 50  PHE   A O   1 
ATOM   426  C  CB  . PHE   A 1 50  ? 30.649 -25.067 -2.744  1.00 28.50  ? 50  PHE   A CB  1 
ATOM   427  C  CG  . PHE   A 1 50  ? 29.608 -25.834 -2.002  1.00 26.02  ? 50  PHE   A CG  1 
ATOM   428  C  CD1 . PHE   A 1 50  ? 28.420 -25.264 -1.620  1.00 25.39  ? 50  PHE   A CD1 1 
ATOM   429  C  CD2 . PHE   A 1 50  ? 29.886 -27.184 -1.673  1.00 26.54  ? 50  PHE   A CD2 1 
ATOM   430  C  CE1 . PHE   A 1 50  ? 27.407 -26.002 -0.939  1.00 28.83  ? 50  PHE   A CE1 1 
ATOM   431  C  CE2 . PHE   A 1 50  ? 28.888 -27.921 -0.970  1.00 27.87  ? 50  PHE   A CE2 1 
ATOM   432  C  CZ  . PHE   A 1 50  ? 27.702 -27.323 -0.604  1.00 28.99  ? 50  PHE   A CZ  1 
ATOM   433  N  N   . SER   A 1 51  ? 31.716 -23.436 -5.296  1.00 25.75  ? 51  SER   A N   1 
ATOM   434  C  CA  . SER   A 1 51  ? 32.859 -22.734 -5.879  1.00 31.45  ? 51  SER   A CA  1 
ATOM   435  C  C   . SER   A 1 51  ? 32.473 -21.316 -6.287  1.00 30.89  ? 51  SER   A C   1 
ATOM   436  O  O   . SER   A 1 51  ? 33.338 -20.412 -6.197  1.00 29.27  ? 51  SER   A O   1 
ATOM   437  C  CB  . SER   A 1 51  ? 33.450 -23.520 -7.063  1.00 33.38  ? 51  SER   A CB  1 
ATOM   438  O  OG  . SER   A 1 51  ? 32.554 -23.622 -8.161  1.00 35.86  ? 51  SER   A OG  1 
ATOM   439  N  N   . CYS   A 1 52  ? 31.207 -21.088 -6.711  1.00 27.45  ? 52  CYS   A N   1 
ATOM   440  C  CA  . CYS   A 1 52  ? 30.729 -19.708 -6.990  1.00 25.87  ? 52  CYS   A CA  1 
ATOM   441  C  C   . CYS   A 1 52  ? 30.779 -18.864 -5.734  1.00 32.08  ? 52  CYS   A C   1 
ATOM   442  O  O   . CYS   A 1 52  ? 31.226 -17.699 -5.751  1.00 30.63  ? 52  CYS   A O   1 
ATOM   443  C  CB  . CYS   A 1 52  ? 29.285 -19.725 -7.488  1.00 32.63  ? 52  CYS   A CB  1 
ATOM   444  S  SG  . CYS   A 1 52  ? 28.969 -20.681 -9.007  1.00 32.62  ? 52  CYS   A SG  1 
ATOM   445  N  N   . VAL   A 1 53  ? 30.293 -19.416 -4.637  1.00 27.37  ? 53  VAL   A N   1 
ATOM   446  C  CA  . VAL   A 1 53  ? 30.295 -18.710 -3.360  1.00 28.51  ? 53  VAL   A CA  1 
ATOM   447  C  C   . VAL   A 1 53  ? 31.733 -18.470 -2.883  1.00 30.77  ? 53  VAL   A C   1 
ATOM   448  O  O   . VAL   A 1 53  ? 32.064 -17.374 -2.384  1.00 28.29  ? 53  VAL   A O   1 
ATOM   449  C  CB  . VAL   A 1 53  ? 29.477 -19.496 -2.333  1.00 32.36  ? 53  VAL   A CB  1 
ATOM   450  C  CG1 . VAL   A 1 53  ? 29.622 -18.857 -0.964  1.00 30.26  ? 53  VAL   A CG1 1 
ATOM   451  C  CG2 . VAL   A 1 53  ? 28.015 -19.578 -2.771  1.00 29.86  ? 53  VAL   A CG2 1 
ATOM   452  N  N   . LYS   A 1 54  ? 32.621 -19.452 -3.050  1.00 25.07  ? 54  LYS   A N   1 
ATOM   453  C  CA  . LYS   A 1 54  ? 34.029 -19.252 -2.709  1.00 26.33  ? 54  LYS   A CA  1 
ATOM   454  C  C   . LYS   A 1 54  ? 34.624 -18.110 -3.517  1.00 30.12  ? 54  LYS   A C   1 
ATOM   455  O  O   . LYS   A 1 54  ? 35.388 -17.299 -2.976  1.00 31.47  ? 54  LYS   A O   1 
ATOM   456  C  CB  . LYS   A 1 54  ? 34.810 -20.567 -2.933  1.00 26.90  ? 54  LYS   A CB  1 
ATOM   457  C  CG  . LYS   A 1 54  ? 34.511 -21.553 -1.841  1.00 26.81  ? 54  LYS   A CG  1 
ATOM   458  C  CD  . LYS   A 1 54  ? 35.231 -22.913 -2.195  1.00 30.40  ? 54  LYS   A CD  1 
ATOM   459  C  CE  . LYS   A 1 54  ? 34.791 -24.019 -1.258  1.00 34.80  ? 54  LYS   A CE  1 
ATOM   460  N  NZ  . LYS   A 1 54  ? 35.581 -25.290 -1.570  1.00 31.67  ? 54  LYS   A NZ  1 
ATOM   461  N  N   . THR   A 1 55  ? 34.319 -18.047 -4.817  1.00 28.61  ? 55  THR   A N   1 
ATOM   462  C  CA  . THR   A 1 55  ? 34.849 -16.944 -5.640  1.00 30.19  ? 55  THR   A CA  1 
ATOM   463  C  C   . THR   A 1 55  ? 34.321 -15.586 -5.169  1.00 33.74  ? 55  THR   A C   1 
ATOM   464  O  O   . THR   A 1 55  ? 35.094 -14.607 -5.095  1.00 31.22  ? 55  THR   A O   1 
ATOM   465  C  CB  . THR   A 1 55  ? 34.516 -17.199 -7.117  1.00 33.17  ? 55  THR   A CB  1 
ATOM   466  O  OG1 . THR   A 1 55  ? 35.219 -18.384 -7.561  1.00 31.40  ? 55  THR   A OG1 1 
ATOM   467  C  CG2 . THR   A 1 55  ? 34.907 -16.016 -8.010  1.00 33.60  ? 55  THR   A CG2 1 
ATOM   468  N  N   . LYS   A 1 56  ? 33.044 -15.506 -4.807  1.00 29.13  ? 56  LYS   A N   1 
ATOM   469  C  CA  . LYS   A 1 56  ? 32.484 -14.230 -4.325  1.00 27.28  ? 56  LYS   A CA  1 
ATOM   470  C  C   . LYS   A 1 56  ? 33.173 -13.777 -3.032  1.00 33.43  ? 56  LYS   A C   1 
ATOM   471  O  O   . LYS   A 1 56  ? 33.467 -12.575 -2.842  1.00 30.33  ? 56  LYS   A O   1 
ATOM   472  C  CB  . LYS   A 1 56  ? 30.968 -14.406 -4.147  1.00 28.13  ? 56  LYS   A CB  1 
ATOM   473  C  CG  . LYS   A 1 56  ? 30.233 -14.394 -5.507  1.00 31.44  ? 56  LYS   A CG  1 
ATOM   474  C  CD  . LYS   A 1 56  ? 28.706 -14.638 -5.393  1.00 31.64  ? 56  LYS   A CD  1 
ATOM   475  C  CE  . LYS   A 1 56  ? 27.884 -13.424 -5.559  1.00 47.48  ? 56  LYS   A CE  1 
ATOM   476  N  NZ  . LYS   A 1 56  ? 26.445 -13.793 -5.846  1.00 37.42  ? 56  LYS   A NZ  1 
ATOM   477  N  N   . LEU   A 1 57  ? 33.452 -14.722 -2.137  1.00 28.63  ? 57  LEU   A N   1 
ATOM   478  C  CA  . LEU   A 1 57  ? 34.196 -14.445 -0.909  1.00 32.34  ? 57  LEU   A CA  1 
ATOM   479  C  C   . LEU   A 1 57  ? 35.627 -14.005 -1.223  1.00 33.14  ? 57  LEU   A C   1 
ATOM   480  O  O   . LEU   A 1 57  ? 36.119 -13.023 -0.635  1.00 34.14  ? 57  LEU   A O   1 
ATOM   481  C  CB  . LEU   A 1 57  ? 34.180 -15.672 0.010   1.00 32.99  ? 57  LEU   A CB  1 
ATOM   482  C  CG  . LEU   A 1 57  ? 32.816 -15.929 0.674   1.00 34.29  ? 57  LEU   A CG  1 
ATOM   483  C  CD1 . LEU   A 1 57  ? 32.849 -17.380 1.249   1.00 31.94  ? 57  LEU   A CD1 1 
ATOM   484  C  CD2 . LEU   A 1 57  ? 32.567 -14.937 1.786   1.00 31.24  ? 57  LEU   A CD2 1 
ATOM   485  N  N   . LYS   A 1 58  ? 36.302 -14.672 -2.166  1.00 29.74  ? 58  LYS   A N   1 
ATOM   486  C  CA  . LYS   A 1 58  ? 37.683 -14.314 -2.501  1.00 32.93  ? 58  LYS   A CA  1 
ATOM   487  C  C   . LYS   A 1 58  ? 37.756 -12.914 -3.107  1.00 30.65  ? 58  LYS   A C   1 
ATOM   488  O  O   . LYS   A 1 58  ? 38.711 -12.143 -2.822  1.00 32.58  ? 58  LYS   A O   1 
ATOM   489  C  CB  . LYS   A 1 58  ? 38.277 -15.332 -3.478  1.00 31.79  ? 58  LYS   A CB  1 
ATOM   490  C  CG  . LYS   A 1 58  ? 39.697 -15.067 -3.967  1.00 35.77  ? 58  LYS   A CG  1 
ATOM   491  C  CD  . LYS   A 1 58  ? 40.039 -16.076 -5.088  1.00 38.70  ? 58  LYS   A CD  1 
ATOM   492  C  CE  . LYS   A 1 58  ? 41.511 -15.891 -5.528  1.00 49.76  ? 58  LYS   A CE  1 
ATOM   493  N  NZ  . LYS   A 1 58  ? 41.917 -16.719 -6.696  1.00 48.21  ? 58  LYS   A NZ  1 
ATOM   494  N  N   . LYS   A 1 59  ? 36.785 -12.581 -3.976  1.00 30.54  ? 59  LYS   A N   1 
ATOM   495  C  CA  . LYS   A 1 59  ? 36.858 -11.341 -4.760  1.00 31.89  ? 59  LYS   A CA  1 
ATOM   496  C  C   . LYS   A 1 59  ? 36.290 -10.128 -4.011  1.00 35.80  ? 59  LYS   A C   1 
ATOM   497  O  O   . LYS   A 1 59  ? 36.516 -8.986  -4.450  1.00 34.83  ? 59  LYS   A O   1 
ATOM   498  C  CB  . LYS   A 1 59  ? 36.116 -11.496 -6.104  1.00 32.04  ? 59  LYS   A CB  1 
ATOM   499  C  CG  . LYS   A 1 59  ? 36.638 -12.612 -7.078  1.00 32.94  ? 59  LYS   A CG  1 
ATOM   500  C  CD  . LYS   A 1 59  ? 37.999 -12.390 -7.581  1.00 31.05  ? 59  LYS   A CD  1 
ATOM   501  C  CE  . LYS   A 1 59  ? 38.356 -13.467 -8.642  1.00 34.95  ? 59  LYS   A CE  1 
ATOM   502  N  NZ  . LYS   A 1 59  ? 39.631 -13.145 -9.323  1.00 33.48  ? 59  LYS   A NZ  1 
ATOM   503  N  N   . GLY   A 1 60  ? 35.595 -10.338 -2.887  1.00 28.90  ? 60  GLY   A N   1 
ATOM   504  C  CA  . GLY   A 1 60  ? 34.886 -9.285  -2.160  1.00 28.56  ? 60  GLY   A CA  1 
ATOM   505  C  C   . GLY   A 1 60  ? 33.576 -8.823  -2.750  1.00 37.03  ? 60  GLY   A C   1 
ATOM   506  O  O   . GLY   A 1 60  ? 33.215 -7.623  -2.643  1.00 33.76  ? 60  GLY   A O   1 
ATOM   507  N  N   . GLN   A 1 61  ? 32.774 -9.766  -3.288  1.00 32.47  ? 61  GLN   A N   1 
ATOM   508  C  CA  . GLN   A 1 61  ? 31.514 -9.392  -3.906  1.00 31.82  ? 61  GLN   A CA  1 
ATOM   509  C  C   . GLN   A 1 61  ? 30.359 -9.319  -2.931  1.00 36.51  ? 61  GLN   A C   1 
ATOM   510  O  O   . GLN   A 1 61  ? 29.257 -8.926  -3.331  1.00 47.83  ? 61  GLN   A O   1 
ATOM   511  C  CB  . GLN   A 1 61  ? 31.127 -10.389 -5.009  1.00 35.13  ? 61  GLN   A CB  1 
ATOM   512  C  CG  . GLN   A 1 61  ? 32.040 -10.434 -6.210  1.00 38.26  ? 61  GLN   A CG  1 
ATOM   513  C  CD  . GLN   A 1 61  ? 31.595 -11.479 -7.267  1.00 37.94  ? 61  GLN   A CD  1 
ATOM   514  O  OE1 . GLN   A 1 61  ? 30.498 -11.388 -7.825  1.00 40.13  ? 61  GLN   A OE1 1 
ATOM   515  N  NE2 . GLN   A 1 61  ? 32.433 -12.475 -7.500  1.00 38.36  ? 61  GLN   A NE2 1 
ATOM   516  N  N   . TYR   A 1 62  ? 30.547 -9.694  -1.675  1.00 33.76  ? 62  TYR   A N   1 
ATOM   517  C  CA  . TYR   A 1 62  ? 29.457 -9.623  -0.705  1.00 33.46  ? 62  TYR   A CA  1 
ATOM   518  C  C   . TYR   A 1 62  ? 29.584 -8.341  0.119   1.00 32.64  ? 62  TYR   A C   1 
ATOM   519  O  O   . TYR   A 1 62  ? 30.686 -8.002  0.592   1.00 34.79  ? 62  TYR   A O   1 
ATOM   520  C  CB  . TYR   A 1 62  ? 29.471 -10.805 0.239   1.00 37.47  ? 62  TYR   A CB  1 
ATOM   521  C  CG  . TYR   A 1 62  ? 29.050 -12.118 -0.369  1.00 36.45  ? 62  TYR   A CG  1 
ATOM   522  C  CD1 . TYR   A 1 62  ? 27.875 -12.226 -1.112  1.00 31.91  ? 62  TYR   A CD1 1 
ATOM   523  C  CD2 . TYR   A 1 62  ? 29.836 -13.248 -0.195  1.00 29.68  ? 62  TYR   A CD2 1 
ATOM   524  C  CE1 . TYR   A 1 62  ? 27.457 -13.497 -1.631  1.00 35.45  ? 62  TYR   A CE1 1 
ATOM   525  C  CE2 . TYR   A 1 62  ? 29.428 -14.496 -0.721  1.00 32.39  ? 62  TYR   A CE2 1 
ATOM   526  C  CZ  . TYR   A 1 62  ? 28.261 -14.574 -1.432  1.00 35.17  ? 62  TYR   A CZ  1 
ATOM   527  O  OH  . TYR   A 1 62  ? 27.902 -15.812 -1.941  1.00 32.15  ? 62  TYR   A OH  1 
ATOM   528  N  N   . GLY   A 1 63  ? 28.467 -7.652  0.269   1.00 36.30  ? 63  GLY   A N   1 
ATOM   529  C  CA  . GLY   A 1 63  ? 28.360 -6.445  1.080   1.00 36.75  ? 63  GLY   A CA  1 
ATOM   530  C  C   . GLY   A 1 63  ? 27.757 -6.657  2.455   1.00 40.41  ? 63  GLY   A C   1 
ATOM   531  O  O   . GLY   A 1 63  ? 28.050 -5.901  3.389   1.00 41.41  ? 63  GLY   A O   1 
ATOM   532  N  N   . LEU   A 1 64  ? 26.919 -7.688  2.610   1.00 35.21  ? 64  LEU   A N   1 
ATOM   533  C  CA  . LEU   A 1 64  ? 26.167 -7.981  3.817   1.00 34.07  ? 64  LEU   A CA  1 
ATOM   534  C  C   . LEU   A 1 64  ? 26.204 -9.475  4.112   1.00 38.76  ? 64  LEU   A C   1 
ATOM   535  O  O   . LEU   A 1 64  ? 26.196 -10.294 3.184   1.00 36.10  ? 64  LEU   A O   1 
ATOM   536  C  CB  . LEU   A 1 64  ? 24.697 -7.564  3.656   1.00 34.17  ? 64  LEU   A CB  1 
ATOM   537  C  CG  . LEU   A 1 64  ? 24.514 -6.054  3.445   1.00 44.55  ? 64  LEU   A CG  1 
ATOM   538  C  CD1 . LEU   A 1 64  ? 23.117 -5.798  2.973   1.00 46.54  ? 64  LEU   A CD1 1 
ATOM   539  C  CD2 . LEU   A 1 64  ? 24.813 -5.378  4.773   1.00 44.41  ? 64  LEU   A CD2 1 
ATOM   540  N  N   . PRO   A 1 65  ? 26.252 -9.854  5.392   1.00 34.44  ? 65  PRO   A N   1 
ATOM   541  C  CA  . PRO   A 1 65  ? 26.387 -11.285 5.717   1.00 33.18  ? 65  PRO   A CA  1 
ATOM   542  C  C   . PRO   A 1 65  ? 25.216 -12.112 5.224   1.00 33.66  ? 65  PRO   A C   1 
ATOM   543  O  O   . PRO   A 1 65  ? 25.379 -13.346 5.068   1.00 34.80  ? 65  PRO   A O   1 
ATOM   544  C  CB  . PRO   A 1 65  ? 26.476 -11.298 7.247   1.00 43.25  ? 65  PRO   A CB  1 
ATOM   545  C  CG  . PRO   A 1 65  ? 26.646 -9.847  7.675   1.00 45.40  ? 65  PRO   A CG  1 
ATOM   546  C  CD  . PRO   A 1 65  ? 26.214 -8.978  6.579   1.00 43.19  ? 65  PRO   A CD  1 
ATOM   547  N  N   . THR   A 1 66  ? 24.054 -11.502 4.994   1.00 33.44  ? 66  THR   A N   1 
ATOM   548  C  CA  . THR   A 1 66  ? 22.893 -12.265 4.515   1.00 32.86  ? 66  THR   A CA  1 
ATOM   549  C  C   . THR   A 1 66  ? 23.025 -12.679 3.054   1.00 36.73  ? 66  THR   A C   1 
ATOM   550  O  O   . THR   A 1 66  ? 22.376 -13.653 2.629   1.00 31.23  ? 66  THR   A O   1 
ATOM   551  C  CB  . THR   A 1 66  ? 21.592 -11.466 4.698   1.00 37.95  ? 66  THR   A CB  1 
ATOM   552  O  OG1 . THR   A 1 66  ? 21.720 -10.179 4.085   1.00 50.01  ? 66  THR   A OG1 1 
ATOM   553  C  CG2 . THR   A 1 66  ? 21.338 -11.291 6.142   1.00 37.12  ? 66  THR   A CG2 1 
ATOM   554  N  N   . GLU   A 1 67  ? 23.847 -11.970 2.286   1.00 32.13  ? 67  GLU   A N   1 
ATOM   555  C  CA  . GLU   A 1 67  ? 24.048 -12.302 0.887   1.00 30.22  ? 67  GLU   A CA  1 
ATOM   556  C  C   . GLU   A 1 67  ? 24.705 -13.682 0.758   1.00 29.55  ? 67  GLU   A C   1 
ATOM   557  O  O   . GLU   A 1 67  ? 24.421 -14.398 -0.201  1.00 35.75  ? 67  GLU   A O   1 
ATOM   558  C  CB  . GLU   A 1 67  ? 24.889 -11.240 0.205   1.00 36.54  ? 67  GLU   A CB  1 
ATOM   559  C  CG  . GLU   A 1 67  ? 24.100 -9.955  0.080   1.00 32.95  ? 67  GLU   A CG  1 
ATOM   560  C  CD  . GLU   A 1 67  ? 24.958 -8.769  -0.295  1.00 51.66  ? 67  GLU   A CD  1 
ATOM   561  O  OE1 . GLU   A 1 67  ? 26.160 -8.942  -0.547  1.00 40.10  ? 67  GLU   A OE1 1 
ATOM   562  O  OE2 . GLU   A 1 67  ? 24.404 -7.665  -0.354  1.00 54.20  ? 67  GLU   A OE2 1 
ATOM   563  N  N   . PHE   A 1 68  ? 25.598 -14.014 1.683   1.00 29.54  ? 68  PHE   A N   1 
ATOM   564  C  CA  . PHE   A 1 68  ? 26.244 -15.320 1.679   1.00 26.46  ? 68  PHE   A CA  1 
ATOM   565  C  C   . PHE   A 1 68  ? 25.207 -16.390 1.949   1.00 32.43  ? 68  PHE   A C   1 
ATOM   566  O  O   . PHE   A 1 68  ? 25.176 -17.423 1.263   1.00 31.58  ? 68  PHE   A O   1 
ATOM   567  C  CB  . PHE   A 1 68  ? 27.363 -15.337 2.729   1.00 28.32  ? 68  PHE   A CB  1 
ATOM   568  C  CG  . PHE   A 1 68  ? 27.831 -16.738 3.114   1.00 29.16  ? 68  PHE   A CG  1 
ATOM   569  C  CD1 . PHE   A 1 68  ? 28.642 -17.448 2.269   1.00 28.29  ? 68  PHE   A CD1 1 
ATOM   570  C  CD2 . PHE   A 1 68  ? 27.506 -17.272 4.358   1.00 31.59  ? 68  PHE   A CD2 1 
ATOM   571  C  CE1 . PHE   A 1 68  ? 29.112 -18.709 2.635   1.00 30.72  ? 68  PHE   A CE1 1 
ATOM   572  C  CE2 . PHE   A 1 68  ? 27.973 -18.526 4.743   1.00 33.10  ? 68  PHE   A CE2 1 
ATOM   573  C  CZ  . PHE   A 1 68  ? 28.807 -19.233 3.882   1.00 28.27  ? 68  PHE   A CZ  1 
ATOM   574  N  N   . ILE   A 1 69  ? 24.370 -16.170 2.960   1.00 27.24  ? 69  ILE   A N   1 
ATOM   575  C  CA  . ILE   A 1 69  ? 23.335 -17.163 3.273   1.00 31.59  ? 69  ILE   A CA  1 
ATOM   576  C  C   . ILE   A 1 69  ? 22.394 -17.352 2.091   1.00 37.41  ? 69  ILE   A C   1 
ATOM   577  O  O   . ILE   A 1 69  ? 21.986 -18.479 1.774   1.00 31.95  ? 69  ILE   A O   1 
ATOM   578  C  CB  . ILE   A 1 69  ? 22.567 -16.743 4.543   1.00 30.38  ? 69  ILE   A CB  1 
ATOM   579  C  CG1 . ILE   A 1 69  ? 23.481 -16.843 5.771   1.00 32.60  ? 69  ILE   A CG1 1 
ATOM   580  C  CG2 . ILE   A 1 69  ? 21.359 -17.719 4.797   1.00 32.08  ? 69  ILE   A CG2 1 
ATOM   581  C  CD1 . ILE   A 1 69  ? 22.869 -16.212 7.040   1.00 36.50  ? 69  ILE   A CD1 1 
ATOM   582  N  N   . LYS   A 1 70  ? 22.007 -16.268 1.442   1.00 32.93  ? 70  LYS   A N   1 
ATOM   583  C  CA  . LYS   A 1 70  ? 21.061 -16.367 0.336   1.00 32.11  ? 70  LYS   A CA  1 
ATOM   584  C  C   . LYS   A 1 70  ? 21.622 -17.221 -0.793  1.00 36.90  ? 70  LYS   A C   1 
ATOM   585  O  O   . LYS   A 1 70  ? 20.908 -18.046 -1.354  1.00 31.86  ? 70  LYS   A O   1 
ATOM   586  C  CB  . LYS   A 1 70  ? 20.699 -14.980 -0.177  1.00 41.15  ? 70  LYS   A CB  1 
ATOM   587  C  CG  . LYS   A 1 70  ? 19.603 -14.369 0.609   1.00 47.54  ? 70  LYS   A CG  1 
ATOM   588  C  CD  . LYS   A 1 70  ? 19.032 -13.150 -0.139  1.00 87.49  ? 70  LYS   A CD  1 
ATOM   589  C  CE  . LYS   A 1 70  ? 17.820 -12.538 0.572   1.00 90.06  ? 70  LYS   A CE  1 
ATOM   590  N  NZ  . LYS   A 1 70  ? 18.179 -11.996 1.909   1.00 68.10  ? 70  LYS   A NZ  1 
ATOM   591  N  N   . ASP   A 1 71  ? 22.889 -17.027 -1.149  1.00 29.54  ? 71  ASP   A N   1 
ATOM   592  C  CA  . ASP   A 1 71  ? 23.492 -17.827 -2.204  1.00 26.46  ? 71  ASP   A CA  1 
ATOM   593  C  C   . ASP   A 1 71  ? 23.573 -19.293 -1.804  1.00 32.53  ? 71  ASP   A C   1 
ATOM   594  O  O   . ASP   A 1 71  ? 23.316 -20.170 -2.633  1.00 30.53  ? 71  ASP   A O   1 
ATOM   595  C  CB  . ASP   A 1 71  ? 24.893 -17.303 -2.560  1.00 29.47  ? 71  ASP   A CB  1 
ATOM   596  C  CG  . ASP   A 1 71  ? 24.856 -16.055 -3.484  1.00 28.84  ? 71  ASP   A CG  1 
ATOM   597  O  OD1 . ASP   A 1 71  ? 23.747 -15.682 -4.011  1.00 32.77  ? 71  ASP   A OD1 1 
ATOM   598  O  OD2 . ASP   A 1 71  ? 25.970 -15.509 -3.693  1.00 31.77  ? 71  ASP   A OD2 1 
ATOM   599  N  N   . VAL   A 1 72  ? 23.964 -19.587 -0.564  1.00 26.88  ? 72  VAL   A N   1 
ATOM   600  C  CA  . VAL   A 1 72  ? 24.048 -21.004 -0.173  1.00 26.77  ? 72  VAL   A CA  1 
ATOM   601  C  C   . VAL   A 1 72  ? 22.653 -21.622 -0.163  1.00 31.11  ? 72  VAL   A C   1 
ATOM   602  O  O   . VAL   A 1 72  ? 22.474 -22.751 -0.657  1.00 29.05  ? 72  VAL   A O   1 
ATOM   603  C  CB  . VAL   A 1 72  ? 24.769 -21.171 1.179   1.00 27.04  ? 72  VAL   A CB  1 
ATOM   604  C  CG1 . VAL   A 1 72  ? 24.750 -22.664 1.685   1.00 26.92  ? 72  VAL   A CG1 1 
ATOM   605  C  CG2 . VAL   A 1 72  ? 26.273 -20.679 1.078   1.00 27.16  ? 72  VAL   A CG2 1 
ATOM   606  N  N   . GLN   A 1 73  ? 21.654 -20.911 0.399   1.00 30.07  ? 73  GLN   A N   1 
ATOM   607  C  CA  . GLN   A 1 73  ? 20.298 -21.456 0.402   1.00 28.25  ? 73  GLN   A CA  1 
ATOM   608  C  C   . GLN   A 1 73  ? 19.804 -21.691 -1.028  1.00 28.72  ? 73  GLN   A C   1 
ATOM   609  O  O   . GLN   A 1 73  ? 19.047 -22.651 -1.272  1.00 30.49  ? 73  GLN   A O   1 
ATOM   610  C  CB  . GLN   A 1 73  ? 19.349 -20.517 1.183   1.00 30.37  ? 73  GLN   A CB  1 
ATOM   611  C  CG  . GLN   A 1 73  ? 17.911 -21.118 1.277   1.00 29.13  ? 73  GLN   A CG  1 
ATOM   612  C  CD  . GLN   A 1 73  ? 17.905 -22.459 1.958   1.00 35.53  ? 73  GLN   A CD  1 
ATOM   613  O  OE1 . GLN   A 1 73  ? 18.609 -22.698 2.965   1.00 36.43  ? 73  GLN   A OE1 1 
ATOM   614  N  NE2 . GLN   A 1 73  ? 17.127 -23.374 1.395   1.00 34.99  ? 73  GLN   A NE2 1 
ATOM   615  N  N   . LEU   A 1 74  ? 20.201 -20.826 -1.970  1.00 28.94  ? 74  LEU   A N   1 
ATOM   616  C  CA  . LEU   A 1 74  ? 19.849 -20.992 -3.379  1.00 27.87  ? 74  LEU   A CA  1 
ATOM   617  C  C   . LEU   A 1 74  ? 20.337 -22.337 -3.938  1.00 29.46  ? 74  LEU   A C   1 
ATOM   618  O  O   . LEU   A 1 74  ? 19.610 -22.988 -4.715  1.00 29.36  ? 74  LEU   A O   1 
ATOM   619  C  CB  . LEU   A 1 74  ? 20.418 -19.829 -4.189  1.00 30.08  ? 74  LEU   A CB  1 
ATOM   620  C  CG  . LEU   A 1 74  ? 20.328 -19.926 -5.721  1.00 29.03  ? 74  LEU   A CG  1 
ATOM   621  C  CD1 . LEU   A 1 74  ? 18.856 -20.015 -6.231  1.00 29.17  ? 74  LEU   A CD1 1 
ATOM   622  C  CD2 . LEU   A 1 74  ? 21.011 -18.685 -6.320  1.00 29.35  ? 74  LEU   A CD2 1 
ATOM   623  N  N   . ILE   A 1 75  ? 21.563 -22.760 -3.571  1.00 27.09  ? 75  ILE   A N   1 
ATOM   624  C  CA  . ILE   A 1 75  ? 22.032 -24.095 -3.928  1.00 24.98  ? 75  ILE   A CA  1 
ATOM   625  C  C   . ILE   A 1 75  ? 20.997 -25.143 -3.524  1.00 29.29  ? 75  ILE   A C   1 
ATOM   626  O  O   . ILE   A 1 75  ? 20.604 -25.995 -4.331  1.00 29.82  ? 75  ILE   A O   1 
ATOM   627  C  CB  . ILE   A 1 75  ? 23.402 -24.383 -3.292  1.00 27.33  ? 75  ILE   A CB  1 
ATOM   628  C  CG1 . ILE   A 1 75  ? 24.402 -23.321 -3.760  1.00 29.47  ? 75  ILE   A CG1 1 
ATOM   629  C  CG2 . ILE   A 1 75  ? 23.889 -25.774 -3.741  1.00 24.94  ? 75  ILE   A CG2 1 
ATOM   630  C  CD1 . ILE   A 1 75  ? 25.796 -23.472 -3.168  1.00 31.31  ? 75  ILE   A CD1 1 
ATOM   631  N  N   . PHE   A 1 76  ? 20.553 -25.096 -2.269  1.00 28.17  ? 76  PHE   A N   1 
ATOM   632  C  CA  . PHE   A 1 76  ? 19.622 -26.142 -1.801  1.00 28.84  ? 76  PHE   A CA  1 
ATOM   633  C  C   . PHE   A 1 76  ? 18.237 -25.975 -2.397  1.00 29.56  ? 76  PHE   A C   1 
ATOM   634  O  O   . PHE   A 1 76  ? 17.526 -26.986 -2.621  1.00 28.34  ? 76  PHE   A O   1 
ATOM   635  C  CB  . PHE   A 1 76  ? 19.572 -26.143 -0.271  1.00 28.45  ? 76  PHE   A CB  1 
ATOM   636  C  CG  . PHE   A 1 76  ? 20.943 -26.275 0.356   1.00 29.46  ? 76  PHE   A CG  1 
ATOM   637  C  CD1 . PHE   A 1 76  ? 21.827 -27.223 -0.107  1.00 36.84  ? 76  PHE   A CD1 1 
ATOM   638  C  CD2 . PHE   A 1 76  ? 21.354 -25.398 1.377   1.00 40.16  ? 76  PHE   A CD2 1 
ATOM   639  C  CE1 . PHE   A 1 76  ? 23.103 -27.350 0.437   1.00 43.21  ? 76  PHE   A CE1 1 
ATOM   640  C  CE2 . PHE   A 1 76  ? 22.661 -25.523 1.919   1.00 33.90  ? 76  PHE   A CE2 1 
ATOM   641  C  CZ  . PHE   A 1 76  ? 23.496 -26.492 1.453   1.00 34.07  ? 76  PHE   A CZ  1 
ATOM   642  N  N   . ASP   A 1 77  ? 17.814 -24.732 -2.666  1.00 28.66  ? 77  ASP   A N   1 
ATOM   643  C  CA  . ASP   A 1 77  ? 16.508 -24.558 -3.278  1.00 26.82  ? 77  ASP   A CA  1 
ATOM   644  C  C   . ASP   A 1 77  ? 16.512 -25.048 -4.717  1.00 31.72  ? 77  ASP   A C   1 
ATOM   645  O  O   . ASP   A 1 77  ? 15.540 -25.667 -5.176  1.00 31.33  ? 77  ASP   A O   1 
ATOM   646  C  CB  . ASP   A 1 77  ? 16.059 -23.062 -3.208  1.00 28.50  ? 77  ASP   A CB  1 
ATOM   647  C  CG  . ASP   A 1 77  ? 15.743 -22.598 -1.789  1.00 30.85  ? 77  ASP   A CG  1 
ATOM   648  O  OD1 . ASP   A 1 77  ? 15.490 -23.435 -0.880  1.00 35.65  ? 77  ASP   A OD1 1 
ATOM   649  O  OD2 . ASP   A 1 77  ? 15.717 -21.345 -1.611  1.00 38.99  ? 77  ASP   A OD2 1 
ATOM   650  N  N   . ASN   A 1 78  ? 17.596 -24.825 -5.436  1.00 28.46  ? 78  ASN   A N   1 
ATOM   651  C  CA  . ASN   A 1 78  ? 17.721 -25.392 -6.772  1.00 25.78  ? 78  ASN   A CA  1 
ATOM   652  C  C   . ASN   A 1 78  ? 17.666 -26.920 -6.707  1.00 30.52  ? 78  ASN   A C   1 
ATOM   653  O  O   . ASN   A 1 78  ? 17.045 -27.553 -7.565  1.00 30.90  ? 78  ASN   A O   1 
ATOM   654  C  CB  . ASN   A 1 78  ? 19.025 -24.962 -7.446  1.00 27.63  ? 78  ASN   A CB  1 
ATOM   655  C  CG  . ASN   A 1 78  ? 18.966 -23.490 -7.852  1.00 26.72  ? 78  ASN   A CG  1 
ATOM   656  O  OD1 . ASN   A 1 78  ? 17.912 -22.899 -7.896  1.00 30.46  ? 78  ASN   A OD1 1 
ATOM   657  N  ND2 . ASN   A 1 78  ? 20.131 -22.915 -8.093  1.00 28.74  ? 78  ASN   A ND2 1 
ATOM   658  N  N   . CYS   A 1 79  ? 18.352 -27.509 -5.720  1.00 29.69  ? 79  CYS   A N   1 
ATOM   659  C  CA  . CYS   A 1 79  ? 18.432 -28.966 -5.576  1.00 25.76  ? 79  CYS   A CA  1 
ATOM   660  C  C   . CYS   A 1 79  ? 17.023 -29.532 -5.377  1.00 30.24  ? 79  CYS   A C   1 
ATOM   661  O  O   . CYS   A 1 79  ? 16.620 -30.513 -6.031  1.00 28.13  ? 79  CYS   A O   1 
ATOM   662  C  CB  . CYS   A 1 79  ? 19.343 -29.295 -4.391  1.00 25.76  ? 79  CYS   A CB  1 
ATOM   663  S  SG  . CYS   A 1 79  ? 19.498 -31.057 -4.115  1.00 28.13  ? 79  CYS   A SG  1 
ATOM   664  N  N   . SER   A 1 80  ? 16.263 -28.913 -4.479  1.00 28.38  ? 80  SER   A N   1 
ATOM   665  C  CA  . SER   A 1 80  ? 14.925 -29.454 -4.198  1.00 27.81  ? 80  SER   A CA  1 
ATOM   666  C  C   . SER   A 1 80  ? 13.944 -29.218 -5.354  1.00 34.32  ? 80  SER   A C   1 
ATOM   667  O  O   . SER   A 1 80  ? 13.040 -30.053 -5.575  1.00 28.83  ? 80  SER   A O   1 
ATOM   668  C  CB  . SER   A 1 80  ? 14.440 -28.884 -2.870  1.00 33.29  ? 80  SER   A CB  1 
ATOM   669  O  OG  . SER   A 1 80  ? 14.172 -27.515 -2.984  1.00 41.98  ? 80  SER   A OG  1 
ATOM   670  N  N   . LEU   A 1 81  ? 14.126 -28.158 -6.143  1.00 32.48  ? 81  LEU   A N   1 
ATOM   671  C  CA  . LEU   A 1 81  ? 13.259 -27.905 -7.292  1.00 32.58  ? 81  LEU   A CA  1 
ATOM   672  C  C   . LEU   A 1 81  ? 13.513 -28.896 -8.431  1.00 35.50  ? 81  LEU   A C   1 
ATOM   673  O  O   . LEU   A 1 81  ? 12.569 -29.505 -8.964  1.00 32.24  ? 81  LEU   A O   1 
ATOM   674  C  CB  . LEU   A 1 81  ? 13.436 -26.438 -7.762  1.00 31.16  ? 81  LEU   A CB  1 
ATOM   675  C  CG  . LEU   A 1 81  ? 12.795 -26.130 -9.110  1.00 36.55  ? 81  LEU   A CG  1 
ATOM   676  C  CD1 . LEU   A 1 81  ? 11.227 -26.271 -8.976  1.00 36.48  ? 81  LEU   A CD1 1 
ATOM   677  C  CD2 . LEU   A 1 81  ? 13.156 -24.706 -9.646  1.00 34.24  ? 81  LEU   A CD2 1 
ATOM   678  N  N   . TYR   A 1 82  ? 14.786 -29.131 -8.783  1.00 30.35  ? 82  TYR   A N   1 
ATOM   679  C  CA  . TYR   A 1 82  ? 15.102 -29.983 -9.919  1.00 27.02  ? 82  TYR   A CA  1 
ATOM   680  C  C   . TYR   A 1 82  ? 14.914 -31.461 -9.578  1.00 29.67  ? 82  TYR   A C   1 
ATOM   681  O  O   . TYR   A 1 82  ? 14.436 -32.244 -10.416 1.00 29.46  ? 82  TYR   A O   1 
ATOM   682  C  CB  . TYR   A 1 82  ? 16.558 -29.770 -10.405 1.00 26.79  ? 82  TYR   A CB  1 
ATOM   683  C  CG  . TYR   A 1 82  ? 16.805 -30.525 -11.690 1.00 24.42  ? 82  TYR   A CG  1 
ATOM   684  C  CD1 . TYR   A 1 82  ? 16.307 -30.061 -12.905 1.00 29.68  ? 82  TYR   A CD1 1 
ATOM   685  C  CD2 . TYR   A 1 82  ? 17.471 -31.764 -11.675 1.00 28.17  ? 82  TYR   A CD2 1 
ATOM   686  C  CE1 . TYR   A 1 82  ? 16.484 -30.761 -14.080 1.00 30.72  ? 82  TYR   A CE1 1 
ATOM   687  C  CE2 . TYR   A 1 82  ? 17.644 -32.484 -12.841 1.00 35.71  ? 82  TYR   A CE2 1 
ATOM   688  C  CZ  . TYR   A 1 82  ? 17.152 -31.988 -14.045 1.00 30.42  ? 82  TYR   A CZ  1 
ATOM   689  O  OH  . TYR   A 1 82  ? 17.321 -32.746 -15.181 1.00 35.19  ? 82  TYR   A OH  1 
ATOM   690  N  N   . ASN   A 1 83  ? 15.352 -31.880 -8.393  1.00 28.66  ? 83  ASN   A N   1 
ATOM   691  C  CA  . ASN   A 1 83  ? 15.455 -33.316 -8.082  1.00 29.03  ? 83  ASN   A CA  1 
ATOM   692  C  C   . ASN   A 1 83  ? 14.242 -33.829 -7.341  1.00 30.47  ? 83  ASN   A C   1 
ATOM   693  O  O   . ASN   A 1 83  ? 13.690 -33.156 -6.465  1.00 29.96  ? 83  ASN   A O   1 
ATOM   694  C  CB  . ASN   A 1 83  ? 16.696 -33.588 -7.249  1.00 27.75  ? 83  ASN   A CB  1 
ATOM   695  C  CG  . ASN   A 1 83  ? 17.958 -33.185 -7.975  1.00 25.69  ? 83  ASN   A CG  1 
ATOM   696  O  OD1 . ASN   A 1 83  ? 18.460 -33.929 -8.803  1.00 28.00  ? 83  ASN   A OD1 1 
ATOM   697  N  ND2 . ASN   A 1 83  ? 18.439 -31.910 -7.729  1.00 26.43  ? 83  ASN   A ND2 1 
ATOM   698  N  N   . THR   A 1 84  ? 13.866 -35.075 -7.655  1.00 29.99  ? 84  THR   A N   1 
ATOM   699  C  CA  . THR   A 1 84  ? 12.670 -35.653 -7.038  1.00 35.01  ? 84  THR   A CA  1 
ATOM   700  C  C   . THR   A 1 84  ? 12.933 -35.937 -5.565  1.00 27.02  ? 84  THR   A C   1 
ATOM   701  O  O   . THR   A 1 84  ? 14.018 -36.414 -5.192  1.00 31.54  ? 84  THR   A O   1 
ATOM   702  C  CB  . THR   A 1 84  ? 12.284 -36.927 -7.774  1.00 33.74  ? 84  THR   A CB  1 
ATOM   703  O  OG1 . THR   A 1 84  ? 12.107 -36.608 -9.150  1.00 37.34  ? 84  THR   A OG1 1 
ATOM   704  C  CG2 . THR   A 1 84  ? 11.008 -37.512 -7.177  1.00 34.18  ? 84  THR   A CG2 1 
ATOM   705  N  N   . SER   A 1 85  ? 11.937 -35.638 -4.725  1.00 29.41  ? 85  SER   A N   1 
ATOM   706  C  CA  . SER   A 1 85  ? 12.108 -35.924 -3.304  1.00 31.44  ? 85  SER   A CA  1 
ATOM   707  C  C   . SER   A 1 85  ? 12.458 -37.412 -3.068  1.00 34.88  ? 85  SER   A C   1 
ATOM   708  O  O   . SER   A 1 85  ? 11.907 -38.316 -3.719  1.00 34.90  ? 85  SER   A O   1 
ATOM   709  C  CB  . SER   A 1 85  ? 10.836 -35.506 -2.575  1.00 41.45  ? 85  SER   A CB  1 
ATOM   710  O  OG  . SER   A 1 85  ? 10.986 -35.684 -1.189  1.00 53.17  ? 85  SER   A OG  1 
ATOM   711  N  N   . GLY   A 1 86  ? 13.398 -37.673 -2.148  1.00 30.42  ? 86  GLY   A N   1 
ATOM   712  C  CA  . GLY   A 1 86  ? 13.871 -39.019 -1.910  1.00 33.44  ? 86  GLY   A CA  1 
ATOM   713  C  C   . GLY   A 1 86  ? 14.930 -39.558 -2.865  1.00 30.62  ? 86  GLY   A C   1 
ATOM   714  O  O   . GLY   A 1 86  ? 15.482 -40.637 -2.589  1.00 31.01  ? 86  GLY   A O   1 
ATOM   715  N  N   . SER   A 1 87  ? 15.247 -38.852 -3.964  1.00 30.09  ? 87  SER   A N   1 
ATOM   716  C  CA  . SER   A 1 87  ? 16.404 -39.185 -4.779  1.00 29.68  ? 87  SER   A CA  1 
ATOM   717  C  C   . SER   A 1 87  ? 17.697 -38.937 -3.984  1.00 29.73  ? 87  SER   A C   1 
ATOM   718  O  O   . SER   A 1 87  ? 17.694 -38.205 -2.992  1.00 28.09  ? 87  SER   A O   1 
ATOM   719  C  CB  . SER   A 1 87  ? 16.401 -38.364 -6.063  1.00 27.06  ? 87  SER   A CB  1 
ATOM   720  O  OG  . SER   A 1 87  ? 16.606 -36.967 -5.757  1.00 29.02  ? 87  SER   A OG  1 
ATOM   721  N  N   . LEU   A 1 88  ? 18.772 -39.642 -4.375  1.00 27.38  ? 88  LEU   A N   1 
ATOM   722  C  CA  . LEU   A 1 88  ? 20.080 -39.503 -3.727  1.00 21.29  ? 88  LEU   A CA  1 
ATOM   723  C  C   . LEU   A 1 88  ? 20.494 -38.027 -3.689  1.00 25.40  ? 88  LEU   A C   1 
ATOM   724  O  O   . LEU   A 1 88  ? 20.915 -37.542 -2.636  1.00 26.78  ? 88  LEU   A O   1 
ATOM   725  C  CB  . LEU   A 1 88  ? 21.131 -40.304 -4.448  1.00 24.21  ? 88  LEU   A CB  1 
ATOM   726  C  CG  . LEU   A 1 88  ? 20.915 -41.863 -4.466  1.00 29.46  ? 88  LEU   A CG  1 
ATOM   727  C  CD1 . LEU   A 1 88  ? 22.243 -42.478 -4.844  1.00 28.82  ? 88  LEU   A CD1 1 
ATOM   728  C  CD2 . LEU   A 1 88  ? 20.368 -42.388 -3.145  1.00 29.90  ? 88  LEU   A CD2 1 
ATOM   729  N  N   . VAL   A 1 89  ? 20.289 -37.321 -4.797  1.00 27.89  ? 89  VAL   A N   1 
ATOM   730  C  CA  . VAL   A 1 89  ? 20.684 -35.892 -4.817  1.00 26.64  ? 89  VAL   A CA  1 
ATOM   731  C  C   . VAL   A 1 89  ? 19.795 -35.069 -3.876  1.00 30.68  ? 89  VAL   A C   1 
ATOM   732  O  O   . VAL   A 1 89  ? 20.299 -34.259 -3.081  1.00 27.19  ? 89  VAL   A O   1 
ATOM   733  C  CB  . VAL   A 1 89  ? 20.711 -35.370 -6.280  1.00 25.20  ? 89  VAL   A CB  1 
ATOM   734  C  CG1 . VAL   A 1 89  ? 20.818 -33.791 -6.348  1.00 26.98  ? 89  VAL   A CG1 1 
ATOM   735  C  CG2 . VAL   A 1 89  ? 21.853 -35.972 -7.023  1.00 25.36  ? 89  VAL   A CG2 1 
ATOM   736  N  N   . ALA   A 1 90  ? 18.460 -35.269 -3.905  1.00 27.82  ? 90  ALA   A N   1 
ATOM   737  C  CA  . ALA   A 1 90  ? 17.587 -34.488 -3.017  1.00 26.40  ? 90  ALA   A CA  1 
ATOM   738  C  C   . ALA   A 1 90  ? 17.926 -34.771 -1.557  1.00 27.71  ? 90  ALA   A C   1 
ATOM   739  O  O   . ALA   A 1 90  ? 17.903 -33.868 -0.724  1.00 28.23  ? 90  ALA   A O   1 
ATOM   740  C  CB  . ALA   A 1 90  ? 16.096 -34.817 -3.269  1.00 26.50  ? 90  ALA   A CB  1 
ATOM   741  N  N   . ILE   A 1 91  ? 18.185 -36.047 -1.215  1.00 26.75  ? 91  ILE   A N   1 
ATOM   742  C  CA  . ILE   A 1 91  ? 18.497 -36.382 0.165   1.00 24.28  ? 91  ILE   A CA  1 
ATOM   743  C  C   . ILE   A 1 91  ? 19.745 -35.641 0.606   1.00 26.27  ? 91  ILE   A C   1 
ATOM   744  O  O   . ILE   A 1 91  ? 19.795 -35.073 1.713   1.00 29.65  ? 91  ILE   A O   1 
ATOM   745  C  CB  . ILE   A 1 91  ? 18.694 -37.896 0.310   1.00 29.35  ? 91  ILE   A CB  1 
ATOM   746  C  CG1 . ILE   A 1 91  ? 17.305 -38.554 0.163   1.00 33.57  ? 91  ILE   A CG1 1 
ATOM   747  C  CG2 . ILE   A 1 91  ? 19.354 -38.210 1.645   1.00 28.54  ? 91  ILE   A CG2 1 
ATOM   748  C  CD1 . ILE   A 1 91  ? 17.500 -40.059 -0.133  1.00 32.84  ? 91  ILE   A CD1 1 
ATOM   749  N  N   . THR   A 1 92  ? 20.740 -35.632 -0.263  1.00 26.21  ? 92  THR   A N   1 
ATOM   750  C  CA  . THR   A 1 92  ? 22.008 -34.965 0.045   1.00 25.94  ? 92  THR   A CA  1 
ATOM   751  C  C   . THR   A 1 92  ? 21.802 -33.482 0.267   1.00 30.57  ? 92  THR   A C   1 
ATOM   752  O  O   . THR   A 1 92  ? 22.366 -32.936 1.223   1.00 30.41  ? 92  THR   A O   1 
ATOM   753  C  CB  . THR   A 1 92  ? 23.006 -35.217 -1.075  1.00 24.25  ? 92  THR   A CB  1 
ATOM   754  O  OG1 . THR   A 1 92  ? 23.162 -36.642 -1.221  1.00 27.98  ? 92  THR   A OG1 1 
ATOM   755  C  CG2 . THR   A 1 92  ? 24.402 -34.680 -0.702  1.00 31.04  ? 92  THR   A CG2 1 
ATOM   756  N  N   . GLY   A 1 93  ? 20.975 -32.844 -0.574  1.00 27.13  ? 93  GLY   A N   1 
ATOM   757  C  CA  . GLY   A 1 93  ? 20.651 -31.447 -0.383  1.00 26.93  ? 93  GLY   A CA  1 
ATOM   758  C  C   . GLY   A 1 93  ? 20.030 -31.174 0.968   1.00 33.13  ? 93  GLY   A C   1 
ATOM   759  O  O   . GLY   A 1 93  ? 20.403 -30.224 1.659   1.00 31.06  ? 93  GLY   A O   1 
ATOM   760  N  N   . LYS   A 1 94  ? 19.027 -31.972 1.355   1.00 30.01  ? 94  LYS   A N   1 
ATOM   761  C  CA  . LYS   A 1 94  ? 18.420 -31.786 2.665   1.00 30.42  ? 94  LYS   A CA  1 
ATOM   762  C  C   . LYS   A 1 94  ? 19.408 -32.002 3.805   1.00 32.27  ? 94  LYS   A C   1 
ATOM   763  O  O   . LYS   A 1 94  ? 19.363 -31.279 4.815   1.00 31.08  ? 94  LYS   A O   1 
ATOM   764  C  CB  . LYS   A 1 94  ? 17.239 -32.762 2.798   1.00 32.18  ? 94  LYS   A CB  1 
ATOM   765  C  CG  . LYS   A 1 94  ? 16.144 -32.450 1.835   1.00 34.81  ? 94  LYS   A CG  1 
ATOM   766  C  CD  . LYS   A 1 94  ? 15.482 -31.098 2.058   1.00 44.59  ? 94  LYS   A CD  1 
ATOM   767  C  CE  . LYS   A 1 94  ? 14.140 -31.058 1.297   1.00 63.23  ? 94  LYS   A CE  1 
ATOM   768  N  NZ  . LYS   A 1 94  ? 13.509 -29.714 1.233   1.00 55.63  ? 94  LYS   A NZ  1 
ATOM   769  N  N   . ASN   A 1 95  ? 20.282 -33.005 3.690   1.00 29.45  ? 95  ASN   A N   1 
ATOM   770  C  CA  . ASN   A 1 95  ? 21.294 -33.222 4.727   1.00 27.97  ? 95  ASN   A CA  1 
ATOM   771  C  C   . ASN   A 1 95  ? 22.168 -31.986 4.902   1.00 31.44  ? 95  ASN   A C   1 
ATOM   772  O  O   . ASN   A 1 95  ? 22.332 -31.496 6.022   1.00 31.63  ? 95  ASN   A O   1 
ATOM   773  C  CB  . ASN   A 1 95  ? 22.192 -34.407 4.422   1.00 30.52  ? 95  ASN   A CB  1 
ATOM   774  C  CG  . ASN   A 1 95  ? 21.444 -35.737 4.566   1.00 41.94  ? 95  ASN   A CG  1 
ATOM   775  O  OD1 . ASN   A 1 95  ? 20.408 -35.786 5.233   1.00 36.32  ? 95  ASN   A OD1 1 
ATOM   776  N  ND2 . ASN   A 1 95  ? 21.957 -36.794 3.941   1.00 41.12  ? 95  ASN   A ND2 1 
ATOM   777  N  N   . ILE   A 1 96  ? 22.709 -31.483 3.804   1.00 30.62  ? 96  ILE   A N   1 
ATOM   778  C  CA  . ILE   A 1 96  ? 23.691 -30.396 3.932   1.00 30.75  ? 96  ILE   A CA  1 
ATOM   779  C  C   . ILE   A 1 96  ? 22.977 -29.108 4.307   1.00 33.72  ? 96  ILE   A C   1 
ATOM   780  O  O   . ILE   A 1 96  ? 23.552 -28.257 5.007   1.00 31.54  ? 96  ILE   A O   1 
ATOM   781  C  CB  . ILE   A 1 96  ? 24.516 -30.301 2.638   1.00 28.00  ? 96  ILE   A CB  1 
ATOM   782  C  CG1 . ILE   A 1 96  ? 25.233 -31.632 2.440   1.00 34.31  ? 96  ILE   A CG1 1 
ATOM   783  C  CG2 . ILE   A 1 96  ? 25.549 -29.134 2.707   1.00 30.63  ? 96  ILE   A CG2 1 
ATOM   784  C  CD1 . ILE   A 1 96  ? 26.210 -31.708 1.319   1.00 30.35  ? 96  ILE   A CD1 1 
ATOM   785  N  N   . GLU   A 1 97  ? 21.724 -28.941 3.876   1.00 28.97  ? 97  GLU   A N   1 
ATOM   786  C  CA  . GLU   A 1 97  ? 20.951 -27.773 4.284   1.00 31.07  ? 97  GLU   A CA  1 
ATOM   787  C  C   . GLU   A 1 97  ? 20.788 -27.738 5.797   1.00 39.08  ? 97  GLU   A C   1 
ATOM   788  O  O   . GLU   A 1 97  ? 20.987 -26.694 6.442   1.00 33.10  ? 97  GLU   A O   1 
ATOM   789  C  CB  . GLU   A 1 97  ? 19.593 -27.779 3.580   1.00 30.09  ? 97  GLU   A CB  1 
ATOM   790  C  CG  . GLU   A 1 97  ? 18.622 -26.673 4.077   1.00 30.97  ? 97  GLU   A CG  1 
ATOM   791  C  CD  . GLU   A 1 97  ? 17.257 -26.818 3.443   1.00 41.12  ? 97  GLU   A CD  1 
ATOM   792  O  OE1 . GLU   A 1 97  ? 16.614 -27.909 3.599   1.00 39.77  ? 97  GLU   A OE1 1 
ATOM   793  O  OE2 . GLU   A 1 97  ? 16.815 -25.880 2.764   1.00 37.33  ? 97  GLU   A OE2 1 
ATOM   794  N  N   . ALA   A 1 98  ? 20.382 -28.869 6.377   1.00 34.61  ? 98  ALA   A N   1 
ATOM   795  C  CA  . ALA   A 1 98  ? 20.238 -28.964 7.821   1.00 35.10  ? 98  ALA   A CA  1 
ATOM   796  C  C   . ALA   A 1 98  ? 21.567 -28.695 8.523   1.00 35.33  ? 98  ALA   A C   1 
ATOM   797  O  O   . ALA   A 1 98  ? 21.604 -27.996 9.546   1.00 37.76  ? 98  ALA   A O   1 
ATOM   798  C  CB  . ALA   A 1 98  ? 19.709 -30.360 8.197   1.00 34.77  ? 98  ALA   A CB  1 
ATOM   799  N  N   . TYR   A 1 99  ? 22.651 -29.281 8.017   1.00 31.43  ? 99  TYR   A N   1 
ATOM   800  C  CA  . TYR   A 1 99  ? 23.966 -29.023 8.592   1.00 31.75  ? 99  TYR   A CA  1 
ATOM   801  C  C   . TYR   A 1 99  ? 24.305 -27.537 8.544   1.00 34.68  ? 99  TYR   A C   1 
ATOM   802  O  O   . TYR   A 1 99  ? 24.745 -26.974 9.554   1.00 34.69  ? 99  TYR   A O   1 
ATOM   803  C  CB  . TYR   A 1 99  ? 25.030 -29.836 7.857   1.00 32.12  ? 99  TYR   A CB  1 
ATOM   804  C  CG  . TYR   A 1 99  ? 26.455 -29.608 8.312   1.00 32.69  ? 99  TYR   A CG  1 
ATOM   805  C  CD1 . TYR   A 1 99  ? 26.920 -30.169 9.488   1.00 36.74  ? 99  TYR   A CD1 1 
ATOM   806  C  CD2 . TYR   A 1 99  ? 27.341 -28.850 7.553   1.00 35.11  ? 99  TYR   A CD2 1 
ATOM   807  C  CE1 . TYR   A 1 99  ? 28.243 -30.017 9.905   1.00 44.63  ? 99  TYR   A CE1 1 
ATOM   808  C  CE2 . TYR   A 1 99  ? 28.681 -28.716 7.959   1.00 38.18  ? 99  TYR   A CE2 1 
ATOM   809  C  CZ  . TYR   A 1 99  ? 29.104 -29.280 9.141   1.00 42.06  ? 99  TYR   A CZ  1 
ATOM   810  O  OH  . TYR   A 1 99  ? 30.416 -29.130 9.550   1.00 42.16  ? 99  TYR   A OH  1 
ATOM   811  N  N   . PHE   A 1 100 ? 24.130 -26.925 7.371   1.00 32.46  ? 100 PHE   A N   1 
ATOM   812  C  CA  . PHE   A 1 100 ? 24.414 -25.495 7.161   1.00 31.82  ? 100 PHE   A CA  1 
ATOM   813  C  C   . PHE   A 1 100 ? 23.655 -24.637 8.156   1.00 37.03  ? 100 PHE   A C   1 
ATOM   814  O  O   . PHE   A 1 100 ? 24.247 -23.756 8.809   1.00 36.46  ? 100 PHE   A O   1 
ATOM   815  C  CB  . PHE   A 1 100 ? 24.058 -25.112 5.717   1.00 28.17  ? 100 PHE   A CB  1 
ATOM   816  C  CG  . PHE   A 1 100 ? 24.208 -23.619 5.407   1.00 29.00  ? 100 PHE   A CG  1 
ATOM   817  C  CD1 . PHE   A 1 100 ? 25.466 -23.062 5.435   1.00 33.69  ? 100 PHE   A CD1 1 
ATOM   818  C  CD2 . PHE   A 1 100 ? 23.096 -22.858 5.080   1.00 29.05  ? 100 PHE   A CD2 1 
ATOM   819  C  CE1 . PHE   A 1 100 ? 25.626 -21.664 5.154   1.00 32.72  ? 100 PHE   A CE1 1 
ATOM   820  C  CE2 . PHE   A 1 100 ? 23.209 -21.497 4.796   1.00 33.96  ? 100 PHE   A CE2 1 
ATOM   821  C  CZ  . PHE   A 1 100 ? 24.478 -20.903 4.819   1.00 32.78  ? 100 PHE   A CZ  1 
ATOM   822  N  N   . ASN   A 1 101 ? 22.328 -24.864 8.284   1.00 35.71  ? 101 ASN   A N   1 
ATOM   823  C  CA  . ASN   A 1 101 ? 21.541 -24.030 9.178   1.00 40.36  ? 101 ASN   A CA  1 
ATOM   824  C  C   . ASN   A 1 101 ? 21.983 -24.190 10.619  1.00 38.84  ? 101 ASN   A C   1 
ATOM   825  O  O   . ASN   A 1 101 ? 21.980 -23.212 11.379  1.00 41.97  ? 101 ASN   A O   1 
ATOM   826  C  CB  . ASN   A 1 101 ? 20.068 -24.351 9.049   1.00 38.60  ? 101 ASN   A CB  1 
ATOM   827  C  CG  . ASN   A 1 101 ? 19.498 -23.866 7.760   1.00 37.34  ? 101 ASN   A CG  1 
ATOM   828  O  OD1 . ASN   A 1 101 ? 19.948 -22.862 7.204   1.00 43.41  ? 101 ASN   A OD1 1 
ATOM   829  N  ND2 . ASN   A 1 101 ? 18.496 -24.575 7.266   1.00 38.36  ? 101 ASN   A ND2 1 
ATOM   830  N  N   . ASN   A 1 102 ? 22.386 -25.395 11.011  1.00 38.64  ? 102 ASN   A N   1 
ATOM   831  C  CA  . ASN   A 1 102 ? 22.948 -25.548 12.338  1.00 39.20  ? 102 ASN   A CA  1 
ATOM   832  C  C   . ASN   A 1 102 ? 24.269 -24.784 12.480  1.00 40.91  ? 102 ASN   A C   1 
ATOM   833  O  O   . ASN   A 1 102 ? 24.491 -24.121 13.503  1.00 44.17  ? 102 ASN   A O   1 
ATOM   834  C  CB  . ASN   A 1 102 ? 23.149 -27.018 12.674  1.00 45.67  ? 102 ASN   A CB  1 
ATOM   835  C  CG  . ASN   A 1 102 ? 23.492 -27.214 14.130  1.00 48.21  ? 102 ASN   A CG  1 
ATOM   836  O  OD1 . ASN   A 1 102 ? 22.683 -26.905 15.007  1.00 54.45  ? 102 ASN   A OD1 1 
ATOM   837  N  ND2 . ASN   A 1 102 ? 24.707 -27.681 14.400  1.00 50.87  ? 102 ASN   A ND2 1 
ATOM   838  N  N   . GLN   A 1 103 ? 25.162 -24.877 11.482  1.00 40.07  ? 103 GLN   A N   1 
ATOM   839  C  CA  . GLN   A 1 103 ? 26.447 -24.173 11.574  1.00 36.17  ? 103 GLN   A CA  1 
ATOM   840  C  C   . GLN   A 1 103 ? 26.267 -22.662 11.728  1.00 39.54  ? 103 GLN   A C   1 
ATOM   841  O  O   . GLN   A 1 103 ? 27.078 -22.029 12.415  1.00 41.06  ? 103 GLN   A O   1 
ATOM   842  C  CB  . GLN   A 1 103 ? 27.310 -24.460 10.360  1.00 31.12  ? 103 GLN   A CB  1 
ATOM   843  C  CG  . GLN   A 1 103 ? 27.848 -25.896 10.344  1.00 39.38  ? 103 GLN   A CG  1 
ATOM   844  C  CD  . GLN   A 1 103 ? 28.706 -26.197 11.550  1.00 51.68  ? 103 GLN   A CD  1 
ATOM   845  O  OE1 . GLN   A 1 103 ? 29.781 -25.638 11.696  1.00 53.90  ? 103 GLN   A OE1 1 
ATOM   846  N  NE2 . GLN   A 1 103 ? 28.232 -27.077 12.424  1.00 49.47  ? 103 GLN   A NE2 1 
ATOM   847  N  N   . LEU   A 1 104 ? 25.266 -22.071 11.067  1.00 39.90  ? 104 LEU   A N   1 
ATOM   848  C  CA  . LEU   A 1 104 ? 24.981 -20.642 11.234  1.00 37.69  ? 104 LEU   A CA  1 
ATOM   849  C  C   . LEU   A 1 104 ? 24.725 -20.270 12.691  1.00 48.10  ? 104 LEU   A C   1 
ATOM   850  O  O   . LEU   A 1 104 ? 25.062 -19.154 13.114  1.00 46.95  ? 104 LEU   A O   1 
ATOM   851  C  CB  . LEU   A 1 104 ? 23.778 -20.228 10.374  1.00 34.95  ? 104 LEU   A CB  1 
ATOM   852  C  CG  . LEU   A 1 104 ? 24.007 -20.300 8.863   1.00 40.08  ? 104 LEU   A CG  1 
ATOM   853  C  CD1 . LEU   A 1 104 ? 22.768 -19.934 8.132   1.00 31.79  ? 104 LEU   A CD1 1 
ATOM   854  C  CD2 . LEU   A 1 104 ? 25.189 -19.421 8.421   1.00 37.07  ? 104 LEU   A CD2 1 
ATOM   855  N  N   . ILE   A 1 105 ? 24.122 -21.177 13.465  1.00 46.78  ? 105 ILE   A N   1 
ATOM   856  C  CA  . ILE   A 1 105 ? 23.921 -20.955 14.894  1.00 44.34  ? 105 ILE   A CA  1 
ATOM   857  C  C   . ILE   A 1 105 ? 25.210 -21.217 15.674  1.00 47.06  ? 105 ILE   A C   1 
ATOM   858  O  O   . ILE   A 1 105 ? 25.680 -20.368 16.441  1.00 45.66  ? 105 ILE   A O   1 
ATOM   859  C  CB  . ILE   A 1 105 ? 22.756 -21.838 15.395  1.00 45.33  ? 105 ILE   A CB  1 
ATOM   860  C  CG1 . ILE   A 1 105 ? 21.515 -21.613 14.553  1.00 45.08  ? 105 ILE   A CG1 1 
ATOM   861  C  CG2 . ILE   A 1 105 ? 22.393 -21.510 16.813  1.00 51.09  ? 105 ILE   A CG2 1 
ATOM   862  C  CD1 . ILE   A 1 105 ? 20.459 -22.686 14.787  1.00 50.48  ? 105 ILE   A CD1 1 
ATOM   863  N  N   . VAL   A 1 106 ? 25.813 -22.384 15.471  1.00 39.49  ? 106 VAL   A N   1 
ATOM   864  C  CA  . VAL   A 1 106 ? 26.946 -22.833 16.271  1.00 42.63  ? 106 VAL   A CA  1 
ATOM   865  C  C   . VAL   A 1 106 ? 28.138 -21.884 16.140  1.00 50.68  ? 106 VAL   A C   1 
ATOM   866  O  O   . VAL   A 1 106 ? 28.836 -21.603 17.121  1.00 54.08  ? 106 VAL   A O   1 
ATOM   867  C  CB  . VAL   A 1 106 ? 27.301 -24.274 15.859  1.00 43.12  ? 106 VAL   A CB  1 
ATOM   868  C  CG1 . VAL   A 1 106 ? 28.640 -24.690 16.385  1.00 45.89  ? 106 VAL   A CG1 1 
ATOM   869  C  CG2 . VAL   A 1 106 ? 26.187 -25.199 16.329  1.00 53.19  ? 106 VAL   A CG2 1 
ATOM   870  N  N   . THR   A 1 107 ? 28.399 -21.386 14.936  1.00 54.93  ? 107 THR   A N   1 
ATOM   871  C  CA  . THR   A 1 107 ? 29.559 -20.533 14.697  1.00 42.35  ? 107 THR   A CA  1 
ATOM   872  C  C   . THR   A 1 107 ? 29.358 -19.093 15.155  1.00 49.86  ? 107 THR   A C   1 
ATOM   873  O  O   . THR   A 1 107 ? 30.336 -18.344 15.180  1.00 50.54  ? 107 THR   A O   1 
ATOM   874  C  CB  . THR   A 1 107 ? 29.888 -20.490 13.207  1.00 37.53  ? 107 THR   A CB  1 
ATOM   875  O  OG1 . THR   A 1 107 ? 28.751 -19.931 12.532  1.00 40.28  ? 107 THR   A OG1 1 
ATOM   876  C  CG2 . THR   A 1 107 ? 30.233 -21.883 12.648  1.00 44.97  ? 107 THR   A CG2 1 
ATOM   877  N  N   . GLY   A 1 108 ? 28.130 -18.676 15.451  1.00 44.87  ? 108 GLY   A N   1 
ATOM   878  C  CA  . GLY   A 1 108 ? 27.828 -17.292 15.740  1.00 47.96  ? 108 GLY   A CA  1 
ATOM   879  C  C   . GLY   A 1 108 ? 27.524 -16.450 14.523  1.00 48.52  ? 108 GLY   A C   1 
ATOM   880  O  O   . GLY   A 1 108 ? 27.254 -15.245 14.665  1.00 47.19  ? 108 GLY   A O   1 
ATOM   881  N  N   . TYR   A 1 109 ? 27.551 -17.048 13.327  1.00 41.01  ? 109 TYR   A N   1 
ATOM   882  C  CA  . TYR   A 1 109 ? 27.354 -16.267 12.116  1.00 43.35  ? 109 TYR   A CA  1 
ATOM   883  C  C   . TYR   A 1 109 ? 26.067 -15.479 12.171  1.00 42.86  ? 109 TYR   A C   1 
ATOM   884  O  O   . TYR   A 1 109 ? 26.013 -14.324 11.722  1.00 43.14  ? 109 TYR   A O   1 
ATOM   885  C  CB  . TYR   A 1 109 ? 27.355 -17.175 10.899  1.00 36.67  ? 109 TYR   A CB  1 
ATOM   886  C  CG  . TYR   A 1 109 ? 27.430 -16.410 9.596   1.00 36.37  ? 109 TYR   A CG  1 
ATOM   887  C  CD1 . TYR   A 1 109 ? 26.281 -15.958 8.961   1.00 34.13  ? 109 TYR   A CD1 1 
ATOM   888  C  CD2 . TYR   A 1 109 ? 28.690 -16.108 9.017   1.00 33.03  ? 109 TYR   A CD2 1 
ATOM   889  C  CE1 . TYR   A 1 109 ? 26.362 -15.242 7.761   1.00 31.33  ? 109 TYR   A CE1 1 
ATOM   890  C  CE2 . TYR   A 1 109 ? 28.768 -15.432 7.823   1.00 34.46  ? 109 TYR   A CE2 1 
ATOM   891  C  CZ  . TYR   A 1 109 ? 27.620 -15.012 7.194   1.00 32.38  ? 109 TYR   A CZ  1 
ATOM   892  O  OH  . TYR   A 1 109 ? 27.728 -14.301 6.005   1.00 33.41  ? 109 TYR   A OH  1 
ATOM   893  N  N   . ASN   A 1 110 ? 25.005 -16.086 12.715  1.00 40.82  ? 110 ASN   A N   1 
ATOM   894  C  CA  . ASN   A 1 110 ? 23.716 -15.407 12.764  1.00 41.98  ? 110 ASN   A CA  1 
ATOM   895  C  C   . ASN   A 1 110 ? 23.776 -14.095 13.550  1.00 43.69  ? 110 ASN   A C   1 
ATOM   896  O  O   . ASN   A 1 110 ? 22.934 -13.215 13.332  1.00 44.68  ? 110 ASN   A O   1 
ATOM   897  C  CB  . ASN   A 1 110 ? 22.661 -16.333 13.359  1.00 45.98  ? 110 ASN   A CB  1 
ATOM   898  C  CG  . ASN   A 1 110 ? 22.130 -17.339 12.348  1.00 53.79  ? 110 ASN   A CG  1 
ATOM   899  O  OD1 . ASN   A 1 110 ? 22.234 -17.133 11.140  1.00 42.62  ? 110 ASN   A OD1 1 
ATOM   900  N  ND2 . ASN   A 1 110 ? 21.548 -18.434 12.841  1.00 51.79  ? 110 ASN   A ND2 1 
ATOM   901  N  N   . ASN   A 1 111 ? 24.757 -13.950 14.448  1.00 46.63  ? 111 ASN   A N   1 
ATOM   902  C  CA  . ASN   A 1 111 ? 24.895 -12.707 15.208  1.00 46.98  ? 111 ASN   A CA  1 
ATOM   903  C  C   . ASN   A 1 111 ? 25.354 -11.561 14.309  1.00 51.90  ? 111 ASN   A C   1 
ATOM   904  O  O   . ASN   A 1 111 ? 24.968 -10.404 14.527  1.00 50.70  ? 111 ASN   A O   1 
ATOM   905  C  CB  . ASN   A 1 111 ? 25.871 -12.910 16.375  1.00 48.58  ? 111 ASN   A CB  1 
ATOM   906  C  CG  . ASN   A 1 111 ? 25.423 -14.016 17.354  1.00 48.90  ? 111 ASN   A CG  1 
ATOM   907  O  OD1 . ASN   A 1 111 ? 24.234 -14.203 17.600  1.00 57.64  ? 111 ASN   A OD1 1 
ATOM   908  N  ND2 . ASN   A 1 111 ? 26.384 -14.738 17.910  1.00 64.51  ? 111 ASN   A ND2 1 
ATOM   909  N  N   . PHE   A 1 112 ? 26.179 -11.853 13.296  1.00 41.40  ? 112 PHE   A N   1 
ATOM   910  C  CA  . PHE   A 1 112 ? 26.552 -10.816 12.328  1.00 39.62  ? 112 PHE   A CA  1 
ATOM   911  C  C   . PHE   A 1 112 ? 25.365 -10.410 11.472  1.00 49.87  ? 112 PHE   A C   1 
ATOM   912  O  O   . PHE   A 1 112 ? 25.245 -9.246  11.068  1.00 43.29  ? 112 PHE   A O   1 
ATOM   913  C  CB  . PHE   A 1 112 ? 27.685 -11.302 11.429  1.00 37.64  ? 112 PHE   A CB  1 
ATOM   914  C  CG  . PHE   A 1 112 ? 28.974 -11.469 12.123  1.00 45.50  ? 112 PHE   A CG  1 
ATOM   915  C  CD1 . PHE   A 1 112 ? 29.840 -10.401 12.246  1.00 39.95  ? 112 PHE   A CD1 1 
ATOM   916  C  CD2 . PHE   A 1 112 ? 29.354 -12.696 12.617  1.00 46.50  ? 112 PHE   A CD2 1 
ATOM   917  C  CE1 . PHE   A 1 112 ? 31.063 -10.573 12.870  1.00 46.75  ? 112 PHE   A CE1 1 
ATOM   918  C  CE2 . PHE   A 1 112 ? 30.558 -12.879 13.236  1.00 47.11  ? 112 PHE   A CE2 1 
ATOM   919  C  CZ  . PHE   A 1 112 ? 31.418 -11.807 13.369  1.00 61.06  ? 112 PHE   A CZ  1 
ATOM   920  N  N   . VAL   A 1 113 ? 24.489 -11.366 11.159  1.00 38.92  ? 113 VAL   A N   1 
ATOM   921  C  CA  . VAL   A 1 113 ? 23.272 -11.025 10.450  1.00 41.51  ? 113 VAL   A CA  1 
ATOM   922  C  C   . VAL   A 1 113 ? 22.418 -10.096 11.303  1.00 46.76  ? 113 VAL   A C   1 
ATOM   923  O  O   . VAL   A 1 113 ? 21.838 -9.129  10.798  1.00 48.45  ? 113 VAL   A O   1 
ATOM   924  C  CB  . VAL   A 1 113 ? 22.499 -12.304 10.071  1.00 42.20  ? 113 VAL   A CB  1 
ATOM   925  C  CG1 . VAL   A 1 113 ? 21.126 -11.966 9.540   1.00 41.70  ? 113 VAL   A CG1 1 
ATOM   926  C  CG2 . VAL   A 1 113 ? 23.293 -13.136 9.050   1.00 38.42  ? 113 VAL   A CG2 1 
ATOM   927  N  N   . THR   A 1 114 ? 22.321 -10.381 12.607  1.00 43.85  ? 114 THR   A N   1 
ATOM   928  C  CA  . THR   A 1 114 ? 21.434 -9.603  13.467  1.00 53.86  ? 114 THR   A CA  1 
ATOM   929  C  C   . THR   A 1 114 ? 21.934 -8.174  13.570  1.00 54.51  ? 114 THR   A C   1 
ATOM   930  O  O   . THR   A 1 114 ? 21.159 -7.217  13.441  1.00 60.23  ? 114 THR   A O   1 
ATOM   931  C  CB  . THR   A 1 114 ? 21.345 -10.233 14.857  1.00 55.43  ? 114 THR   A CB  1 
ATOM   932  O  OG1 . THR   A 1 114 ? 20.942 -11.605 14.746  1.00 56.95  ? 114 THR   A OG1 1 
ATOM   933  C  CG2 . THR   A 1 114 ? 20.326 -9.487  15.715  1.00 57.18  ? 114 THR   A CG2 1 
ATOM   934  N  N   . LYS   A 1 115 ? 23.247 -8.023  13.771  1.00 50.64  ? 115 LYS   A N   1 
ATOM   935  C  CA  . LYS   A 1 115 ? 23.865 -6.700  13.851  1.00 54.46  ? 115 LYS   A CA  1 
ATOM   936  C  C   . LYS   A 1 115 ? 23.760 -5.949  12.529  1.00 62.12  ? 115 LYS   A C   1 
ATOM   937  O  O   . LYS   A 1 115 ? 23.402 -4.766  12.509  1.00 69.28  ? 115 LYS   A O   1 
ATOM   938  C  CB  . LYS   A 1 115 ? 25.318 -6.832  14.271  1.00 45.14  ? 115 LYS   A CB  1 
ATOM   939  C  CG  . LYS   A 1 115 ? 25.519 -7.371  15.682  1.00 54.98  ? 115 LYS   A CG  1 
ATOM   940  C  CD  . LYS   A 1 115 ? 26.982 -7.320  16.119  1.00 59.08  ? 115 LYS   A CD  1 
ATOM   941  N  N   . ALA   A 1 116 ? 24.046 -6.616  11.413  1.00 53.77  ? 116 ALA   A N   1 
ATOM   942  C  CA  . ALA   A 1 116 ? 24.010 -5.934  10.125  1.00 53.06  ? 116 ALA   A CA  1 
ATOM   943  C  C   . ALA   A 1 116 ? 22.597 -5.505  9.743   1.00 73.80  ? 116 ALA   A C   1 
ATOM   944  O  O   . ALA   A 1 116 ? 22.424 -4.488  9.050   1.00 66.11  ? 116 ALA   A O   1 
ATOM   945  C  CB  . ALA   A 1 116 ? 24.617 -6.830  9.043   1.00 47.69  ? 116 ALA   A CB  1 
ATOM   946  N  N   . ASN   A 1 117 ? 21.580 -6.260  10.180  1.00 62.24  ? 117 ASN   A N   1 
ATOM   947  C  CA  . ASN   A 1 117 ? 20.194 -5.892  9.894   1.00 65.73  ? 117 ASN   A CA  1 
ATOM   948  C  C   . ASN   A 1 117 ? 19.813 -4.587  10.578  1.00 69.33  ? 117 ASN   A C   1 
ATOM   949  O  O   . ASN   A 1 117 ? 19.060 -3.782  10.015  1.00 75.59  ? 117 ASN   A O   1 
ATOM   950  C  CB  . ASN   A 1 117 ? 19.255 -7.017  10.327  1.00 69.51  ? 117 ASN   A CB  1 
ATOM   951  C  CG  . ASN   A 1 117 ? 19.303 -8.214  9.388   1.00 78.58  ? 117 ASN   A CG  1 
ATOM   952  O  OD1 . ASN   A 1 117 ? 19.619 -8.078  8.201   1.00 76.39  ? 117 ASN   A OD1 1 
ATOM   953  N  ND2 . ASN   A 1 117 ? 18.983 -9.395  9.914   1.00 71.36  ? 117 ASN   A ND2 1 
ATOM   954  N  N   . THR   A 1 118 ? 20.331 -4.358  11.786  1.00 66.72  ? 118 THR   A N   1 
ATOM   955  C  CA  . THR   A 1 118 ? 20.041 -3.122  12.507  1.00 73.12  ? 118 THR   A CA  1 
ATOM   956  C  C   . THR   A 1 118 ? 20.664 -1.909  11.814  1.00 81.15  ? 118 THR   A C   1 
ATOM   957  O  O   . THR   A 1 118 ? 20.010 -0.867  11.678  1.00 84.75  ? 118 THR   A O   1 
ATOM   958  C  CB  . THR   A 1 118 ? 20.536 -3.240  13.950  1.00 73.28  ? 118 THR   A CB  1 
ATOM   959  O  OG1 . THR   A 1 118 ? 19.902 -4.368  14.573  1.00 82.98  ? 118 THR   A OG1 1 
ATOM   960  N  N   . ILE   A 1 119 ? 21.929 -2.028  11.383  1.00 80.03  ? 119 ILE   A N   1 
ATOM   961  C  CA  . ILE   A 1 119 ? 22.617 -1.005  10.590  1.00 73.29  ? 119 ILE   A CA  1 
ATOM   962  C  C   . ILE   A 1 119 ? 21.836 -0.633  9.330   1.00 89.42  ? 119 ILE   A C   1 
ATOM   963  O  O   . ILE   A 1 119 ? 21.979 0.489   8.824   1.00 84.03  ? 119 ILE   A O   1 
ATOM   964  C  CB  . ILE   A 1 119 ? 24.042 -1.506  10.224  1.00 62.20  ? 119 ILE   A CB  1 
ATOM   965  C  CG1 . ILE   A 1 119 ? 24.780 -1.971  11.472  1.00 54.07  ? 119 ILE   A CG1 1 
ATOM   966  C  CG2 . ILE   A 1 119 ? 24.880 -0.446  9.471   1.00 54.69  ? 119 ILE   A CG2 1 
ATOM   967  C  CD1 . ILE   A 1 119 ? 26.106 -2.632  11.169  1.00 38.05  ? 119 ILE   A CD1 1 
ATOM   968  N  N   . ASN   A 1 120 ? 21.004 -1.549  8.818   1.00 84.23  ? 120 ASN   A N   1 
ATOM   969  C  CA  . ASN   A 1 120 ? 20.298 -1.380  7.543   1.00 95.07  ? 120 ASN   A CA  1 
ATOM   970  C  C   . ASN   A 1 120 ? 21.308 -1.256  6.386   1.00 99.83  ? 120 ASN   A C   1 
ATOM   971  O  O   . ASN   A 1 120 ? 22.245 -2.066  6.247   1.00 82.99  ? 120 ASN   A O   1 
ATOM   972  C  CB  . ASN   A 1 120 ? 19.355 -0.155  7.576   1.00 98.08  ? 120 ASN   A CB  1 
ATOM   973  C  CG  . ASN   A 1 120 ? 18.072 -0.398  8.389   1.00 89.20  ? 120 ASN   A CG  1 
ATOM   974  O  OD1 . ASN   A 1 120 ? 16.996 -0.566  7.821   1.00 79.07  ? 120 ASN   A OD1 1 
ATOM   975  N  ND2 . ASN   A 1 120 ? 18.186 -0.398  9.714   1.00 91.94  ? 120 ASN   A ND2 1 
HETATM 976  S  S   . SO4   B 2 .   ? 34.507 -26.227 -13.427 1.00 61.01  ? 201 SO4   A S   1 
HETATM 977  O  O1  . SO4   B 2 .   ? 35.889 -26.364 -12.855 1.00 77.64  ? 201 SO4   A O1  1 
HETATM 978  O  O2  . SO4   B 2 .   ? 34.646 -26.111 -14.912 1.00 47.58  ? 201 SO4   A O2  1 
HETATM 979  O  O3  . SO4   B 2 .   ? 33.699 -27.484 -13.068 1.00 46.78  ? 201 SO4   A O3  1 
HETATM 980  O  O4  . SO4   B 2 .   ? 33.849 -24.941 -12.947 1.00 57.53  ? 201 SO4   A O4  1 
HETATM 981  S  S   . SO4   C 2 .   ? 39.040 -24.611 -2.571  1.00 139.38 ? 202 SO4   A S   1 
HETATM 982  O  O1  . SO4   C 2 .   ? 40.350 -25.356 -2.560  1.00 129.15 ? 202 SO4   A O1  1 
HETATM 983  O  O2  . SO4   C 2 .   ? 38.087 -25.371 -3.437  1.00 93.96  ? 202 SO4   A O2  1 
HETATM 984  O  O3  . SO4   C 2 .   ? 38.460 -24.545 -1.188  1.00 79.12  ? 202 SO4   A O3  1 
HETATM 985  O  O4  . SO4   C 2 .   ? 39.187 -23.206 -3.100  1.00 94.13  ? 202 SO4   A O4  1 
HETATM 986  CL CL  . CL    D 3 .   ? 28.307 -38.892 -6.942  1.00 36.20  ? 203 CL    A CL  1 
HETATM 987  N  N1  . A1IUW E 4 .   ? 24.944 -31.959 -8.567  1.00 27.71  ? 204 A1IUW A N1  1 
HETATM 988  C  C4  . A1IUW E 4 .   ? 25.058 -33.023 -9.462  1.00 34.07  ? 204 A1IUW A C4  1 
HETATM 989  C  C5  . A1IUW E 4 .   ? 26.325 -33.759 -9.599  1.00 30.87  ? 204 A1IUW A C5  1 
HETATM 990  C  C6  . A1IUW E 4 .   ? 26.419 -35.120 -9.282  1.00 32.75  ? 204 A1IUW A C6  1 
HETATM 991  C  C7  . A1IUW E 4 .   ? 27.674 -35.723 -9.330  1.00 31.18  ? 204 A1IUW A C7  1 
HETATM 992  C  C8  . A1IUW E 4 .   ? 28.823 -35.018 -9.668  1.00 35.72  ? 204 A1IUW A C8  1 
HETATM 993  C  C10 . A1IUW E 4 .   ? 27.476 -33.060 -9.950  1.00 26.80  ? 204 A1IUW A C10 1 
HETATM 994  C  C13 . A1IUW E 4 .   ? 23.654 -31.471 -8.570  1.00 28.17  ? 204 A1IUW A C13 1 
HETATM 995  C  C15 . A1IUW E 4 .   ? 21.525 -31.960 -9.844  1.00 28.96  ? 204 A1IUW A C15 1 
HETATM 996  N  N   . A1IUW E 4 .   ? 31.188 -34.879 -10.061 1.00 36.08  ? 204 A1IUW A N   1 
HETATM 997  C  C   . A1IUW E 4 .   ? 20.938 -34.162 -10.952 1.00 36.07  ? 204 A1IUW A C   1 
HETATM 998  O  O   . A1IUW E 4 .   ? 30.314 -36.834 -9.379  1.00 45.69  ? 204 A1IUW A O   1 
HETATM 999  C  C1  . A1IUW E 4 .   ? 22.260 -34.896 -11.160 1.00 40.31  ? 204 A1IUW A C1  1 
HETATM 1000 C  C11 . A1IUW E 4 .   ? 30.181 -35.641 -9.695  1.00 40.79  ? 204 A1IUW A C11 1 
HETATM 1001 C  C12 . A1IUW E 4 .   ? 25.221 -35.933 -8.851  1.00 40.03  ? 204 A1IUW A C12 1 
HETATM 1002 C  C14 . A1IUW E 4 .   ? 22.932 -32.206 -9.511  1.00 28.61  ? 204 A1IUW A C14 1 
HETATM 1003 C  C2  . A1IUW E 4 .   ? 23.530 -34.064 -11.280 1.00 36.84  ? 204 A1IUW A C2  1 
HETATM 1004 C  C3  . A1IUW E 4 .   ? 23.825 -33.181 -10.091 1.00 34.46  ? 204 A1IUW A C3  1 
HETATM 1005 C  C9  . A1IUW E 4 .   ? 28.708 -33.679 -9.977  1.00 31.71  ? 204 A1IUW A C9  1 
HETATM 1006 O  O1  . A1IUW E 4 .   ? 20.844 -31.163 -9.195  1.00 30.96  ? 204 A1IUW A O1  1 
HETATM 1007 C  C16 . A1IUW E 4 .   ? 20.960 -32.657 -11.056 1.00 36.13  ? 204 A1IUW A C16 1 
HETATM 1008 C  C17 . A1IUW E 4 .   ? 23.249 -30.341 -7.678  1.00 28.86  ? 204 A1IUW A C17 1 
HETATM 1009 O  O   . HOH   F 5 .   ? 29.474 -31.099 -13.130 1.00 54.85  ? 301 HOH   A O   1 
HETATM 1010 O  O   . HOH   F 5 .   ? 34.466 -23.951 -15.519 1.00 48.84  ? 302 HOH   A O   1 
HETATM 1011 O  O   . HOH   F 5 .   ? 16.611 -19.647 -3.122  1.00 40.13  ? 303 HOH   A O   1 
HETATM 1012 O  O   . HOH   F 5 .   ? 28.227 -29.523 -21.191 1.00 41.95  ? 304 HOH   A O   1 
HETATM 1013 O  O   . HOH   F 5 .   ? 13.662 -31.966 -15.221 1.00 48.03  ? 305 HOH   A O   1 
HETATM 1014 O  O   . HOH   F 5 .   ? 24.366 -37.477 -12.849 1.00 44.19  ? 306 HOH   A O   1 
HETATM 1015 O  O   . HOH   F 5 .   ? 28.154 -38.072 -11.992 1.00 61.25  ? 307 HOH   A O   1 
HETATM 1016 O  O   . HOH   F 5 .   ? 34.655 -5.675  -1.774  1.00 43.69  ? 308 HOH   A O   1 
HETATM 1017 O  O   . HOH   F 5 .   ? 22.865 -17.628 -10.447 1.00 36.36  ? 309 HOH   A O   1 
HETATM 1018 O  O   . HOH   F 5 .   ? 21.840 -7.197  -0.415  1.00 54.78  ? 310 HOH   A O   1 
HETATM 1019 O  O   . HOH   F 5 .   ? 14.557 -25.868 -0.640  1.00 43.17  ? 311 HOH   A O   1 
HETATM 1020 O  O   . HOH   F 5 .   ? 31.032 -29.859 11.987  1.00 53.21  ? 312 HOH   A O   1 
HETATM 1021 O  O   . HOH   F 5 .   ? 19.789 -27.157 -19.826 1.00 40.52  ? 313 HOH   A O   1 
HETATM 1022 O  O   . HOH   F 5 .   ? 31.032 -24.728 9.563   1.00 46.99  ? 314 HOH   A O   1 
HETATM 1023 O  O   . HOH   F 5 .   ? 28.285 -5.447  6.164   1.00 44.02  ? 315 HOH   A O   1 
HETATM 1024 O  O   . HOH   F 5 .   ? 11.295 -31.636 -8.011  1.00 40.53  ? 316 HOH   A O   1 
HETATM 1025 O  O   . HOH   F 5 .   ? 24.392 -26.630 -7.349  1.00 32.63  ? 317 HOH   A O   1 
HETATM 1026 O  O   . HOH   F 5 .   ? 15.826 -18.727 -8.822  1.00 47.37  ? 318 HOH   A O   1 
HETATM 1027 O  O   . HOH   F 5 .   ? 36.070 -25.488 -5.853  1.00 41.70  ? 319 HOH   A O   1 
HETATM 1028 O  O   . HOH   F 5 .   ? 16.929 -23.660 4.827   1.00 41.33  ? 320 HOH   A O   1 
HETATM 1029 O  O   . HOH   F 5 .   ? 18.064 -36.550 -9.267  1.00 37.54  ? 321 HOH   A O   1 
HETATM 1030 O  O   . HOH   F 5 .   ? 15.493 -27.960 0.714   1.00 44.53  ? 322 HOH   A O   1 
HETATM 1031 O  O   . HOH   F 5 .   ? 20.415 -28.561 -8.424  1.00 30.54  ? 323 HOH   A O   1 
HETATM 1032 O  O   . HOH   F 5 .   ? 19.411 -27.635 11.124  1.00 45.58  ? 324 HOH   A O   1 
HETATM 1033 O  O   . HOH   F 5 .   ? 25.989 -5.546  -1.009  1.00 50.08  ? 325 HOH   A O   1 
HETATM 1034 O  O   . HOH   F 5 .   ? 20.304 -21.063 11.251  1.00 43.76  ? 326 HOH   A O   1 
HETATM 1035 O  O   . HOH   F 5 .   ? 18.212 -17.820 -1.720  1.00 34.64  ? 327 HOH   A O   1 
HETATM 1036 O  O   . HOH   F 5 .   ? 32.067 -29.464 -16.544 1.00 41.96  ? 328 HOH   A O   1 
HETATM 1037 O  O   . HOH   F 5 .   ? 32.592 -33.803 0.087   1.00 36.71  ? 329 HOH   A O   1 
HETATM 1038 O  O   . HOH   F 5 .   ? 25.102 -40.989 4.677   1.00 52.51  ? 330 HOH   A O   1 
HETATM 1039 O  O   . HOH   F 5 .   ? 26.197 -28.387 -8.309  1.00 29.70  ? 331 HOH   A O   1 
HETATM 1040 O  O   . HOH   F 5 .   ? 19.759 -21.040 4.848   1.00 38.45  ? 332 HOH   A O   1 
HETATM 1041 O  O   . HOH   F 5 .   ? 17.539 -35.493 -14.967 1.00 53.75  ? 333 HOH   A O   1 
HETATM 1042 O  O   . HOH   F 5 .   ? 15.263 -36.678 -9.434  1.00 35.93  ? 334 HOH   A O   1 
HETATM 1043 O  O   . HOH   F 5 .   ? 31.520 -24.383 -11.550 1.00 33.25  ? 335 HOH   A O   1 
HETATM 1044 O  O   . HOH   F 5 .   ? 14.651 -19.851 0.471   1.00 47.99  ? 336 HOH   A O   1 
HETATM 1045 O  O   . HOH   F 5 .   ? 17.056 -29.854 5.547   1.00 38.69  ? 337 HOH   A O   1 
HETATM 1046 O  O   . HOH   F 5 .   ? 24.963 -36.145 3.013   1.00 44.02  ? 338 HOH   A O   1 
HETATM 1047 O  O   . HOH   F 5 .   ? 23.528 -14.140 -6.335  1.00 44.74  ? 339 HOH   A O   1 
HETATM 1048 O  O   . HOH   F 5 .   ? 21.960 -27.426 -6.320  1.00 29.19  ? 340 HOH   A O   1 
HETATM 1049 O  O   . HOH   F 5 .   ? 25.702 -14.573 -8.431  1.00 51.52  ? 341 HOH   A O   1 
HETATM 1050 O  O   . HOH   F 5 .   ? 36.081 -25.194 7.630   1.00 40.99  ? 342 HOH   A O   1 
HETATM 1051 O  O   . HOH   F 5 .   ? 37.150 -17.963 -0.885  1.00 36.11  ? 343 HOH   A O   1 
HETATM 1052 O  O   . HOH   F 5 .   ? 30.486 -30.573 -8.506  1.00 32.76  ? 344 HOH   A O   1 
HETATM 1053 O  O   . HOH   F 5 .   ? 33.226 -30.532 -2.428  1.00 30.17  ? 345 HOH   A O   1 
HETATM 1054 O  O   . HOH   F 5 .   ? 35.895 -14.879 12.128  1.00 57.20  ? 346 HOH   A O   1 
HETATM 1055 O  O   . HOH   F 5 .   ? 19.906 -20.904 -16.331 1.00 41.83  ? 347 HOH   A O   1 
HETATM 1056 O  O   . HOH   F 5 .   ? 14.800 -21.613 -11.538 1.00 37.34  ? 348 HOH   A O   1 
HETATM 1057 O  O   . HOH   F 5 .   ? 23.240 -13.261 -2.513  1.00 46.36  ? 349 HOH   A O   1 
HETATM 1058 O  O   . HOH   F 5 .   ? 18.466 -37.821 5.642   1.00 51.51  ? 350 HOH   A O   1 
HETATM 1059 O  O   . HOH   F 5 .   ? 9.511  -34.388 -5.553  1.00 39.46  ? 351 HOH   A O   1 
HETATM 1060 O  O   . HOH   F 5 .   ? 32.157 -30.672 7.479   1.00 41.40  ? 352 HOH   A O   1 
HETATM 1061 O  O   . HOH   F 5 .   ? 38.456 -11.887 6.098   1.00 42.48  ? 353 HOH   A O   1 
HETATM 1062 O  O   . HOH   F 5 .   ? 26.541 -19.065 -10.250 1.00 35.75  ? 354 HOH   A O   1 
HETATM 1063 O  O   . HOH   F 5 .   ? 30.088 -35.544 6.560   1.00 43.38  ? 355 HOH   A O   1 
HETATM 1064 O  O   . HOH   F 5 .   ? 35.138 -23.720 -10.690 1.00 56.92  ? 356 HOH   A O   1 
HETATM 1065 O  O   . HOH   F 5 .   ? 17.674 -29.179 -0.770  1.00 32.56  ? 357 HOH   A O   1 
HETATM 1066 O  O   . HOH   F 5 .   ? 16.738 -31.491 -1.870  1.00 29.53  ? 358 HOH   A O   1 
HETATM 1067 O  O   . HOH   F 5 .   ? 17.093 -21.010 -9.959  1.00 31.09  ? 359 HOH   A O   1 
HETATM 1068 O  O   . HOH   F 5 .   ? 38.460 -18.688 7.376   1.00 49.75  ? 360 HOH   A O   1 
HETATM 1069 O  O   . HOH   F 5 .   ? 22.478 -24.828 -8.882  1.00 29.97  ? 361 HOH   A O   1 
HETATM 1070 O  O   . HOH   F 5 .   ? 12.780 -25.138 -4.329  1.00 55.01  ? 362 HOH   A O   1 
HETATM 1071 O  O   . HOH   F 5 .   ? 31.577 -33.232 -14.214 1.00 64.92  ? 363 HOH   A O   1 
HETATM 1072 O  O   . HOH   F 5 .   ? 36.194 -21.084 -6.470  1.00 40.16  ? 364 HOH   A O   1 
HETATM 1073 O  O   . HOH   F 5 .   ? 15.298 -22.231 -6.696  1.00 40.63  ? 365 HOH   A O   1 
HETATM 1074 O  O   . HOH   F 5 .   ? 24.593 -25.699 -11.311 1.00 38.89  ? 366 HOH   A O   1 
HETATM 1075 O  O   . HOH   F 5 .   ? 19.676 -38.536 -7.423  1.00 31.42  ? 367 HOH   A O   1 
HETATM 1076 O  O   . HOH   F 5 .   ? 37.253 -23.389 -5.472  1.00 47.54  ? 368 HOH   A O   1 
HETATM 1077 O  O   . HOH   F 5 .   ? 21.087 -17.921 15.730  1.00 54.07  ? 369 HOH   A O   1 
HETATM 1078 O  O   . HOH   F 5 .   ? 38.220 -14.317 4.585   1.00 43.22  ? 370 HOH   A O   1 
HETATM 1079 O  O   . HOH   F 5 .   ? 14.443 -35.530 -0.347  1.00 40.49  ? 371 HOH   A O   1 
HETATM 1080 O  O   . HOH   F 5 .   ? 10.692 -33.992 -9.481  1.00 45.44  ? 372 HOH   A O   1 
HETATM 1081 O  O   . HOH   F 5 .   ? 12.841 -32.312 -3.618  1.00 43.02  ? 373 HOH   A O   1 
HETATM 1082 O  O   . HOH   F 5 .   ? 14.928 -42.531 -0.332  1.00 43.78  ? 374 HOH   A O   1 
HETATM 1083 O  O   . HOH   F 5 .   ? 28.926 -30.367 -10.787 1.00 44.90  ? 375 HOH   A O   1 
HETATM 1084 O  O   . HOH   F 5 .   ? 19.160 -20.476 8.877   1.00 46.50  ? 376 HOH   A O   1 
HETATM 1085 O  O   . HOH   F 5 .   ? 31.760 -21.764 -10.418 1.00 42.94  ? 377 HOH   A O   1 
HETATM 1086 O  O   . HOH   F 5 .   ? 24.423 -17.619 16.098  1.00 55.86  ? 378 HOH   A O   1 
HETATM 1087 O  O   . HOH   F 5 .   ? 22.388 -33.137 8.590   1.00 52.26  ? 379 HOH   A O   1 
HETATM 1088 O  O   . HOH   F 5 .   ? 25.682 -11.144 -4.543  1.00 58.84  ? 380 HOH   A O   1 
HETATM 1089 O  O   . HOH   F 5 .   ? 34.527 -21.959 11.727  1.00 59.08  ? 381 HOH   A O   1 
HETATM 1090 O  O   . HOH   F 5 .   ? 33.706 -36.096 2.165   1.00 58.07  ? 382 HOH   A O   1 
HETATM 1091 O  O   . HOH   F 5 .   ? 29.734 -13.133 -10.289 1.00 42.25  ? 383 HOH   A O   1 
HETATM 1092 O  O   . HOH   F 5 .   ? 10.747 -32.119 -5.144  1.00 53.72  ? 384 HOH   A O   1 
HETATM 1093 O  O   . HOH   F 5 .   ? 18.449 2.290   11.287  1.00 69.31  ? 385 HOH   A O   1 
HETATM 1094 O  O   . HOH   F 5 .   ? 17.556 -35.985 3.946   1.00 51.94  ? 386 HOH   A O   1 
HETATM 1095 O  O   . HOH   F 5 .   ? 33.798 -20.189 -9.733  1.00 52.91  ? 387 HOH   A O   1 
HETATM 1096 O  O   . HOH   F 5 .   ? 19.132 -21.649 -20.385 1.00 49.54  ? 388 HOH   A O   1 
HETATM 1097 O  O   . HOH   F 5 .   ? 27.720 -9.905  -7.205  1.00 58.04  ? 389 HOH   A O   1 
HETATM 1098 O  O   . HOH   F 5 .   ? 17.586 -26.995 9.180   1.00 49.42  ? 390 HOH   A O   1 
HETATM 1099 O  O   . HOH   F 5 .   ? 32.588 -5.466  1.181   1.00 58.79  ? 391 HOH   A O   1 
HETATM 1100 O  O   . HOH   F 5 .   ? 23.023 -8.877  6.786   1.00 54.10  ? 392 HOH   A O   1 
HETATM 1101 O  O   . HOH   F 5 .   ? 19.594 -25.576 12.795  1.00 44.63  ? 393 HOH   A O   1 
HETATM 1102 O  O   . HOH   F 5 .   ? 37.674 -27.899 -5.577  1.00 55.03  ? 394 HOH   A O   1 
HETATM 1103 O  O   . HOH   F 5 .   ? 44.565 -14.629 -6.925  1.00 63.01  ? 395 HOH   A O   1 
HETATM 1104 O  O   . HOH   F 5 .   ? 28.799 -39.855 -9.688  1.00 59.79  ? 396 HOH   A O   1 
HETATM 1105 O  O   . HOH   F 5 .   ? 32.174 -31.607 -10.149 1.00 56.91  ? 397 HOH   A O   1 
HETATM 1106 O  O   . HOH   F 5 .   ? 41.549 -5.327  10.351  1.00 54.11  ? 398 HOH   A O   1 
HETATM 1107 O  O   . HOH   F 5 .   ? 33.717 -31.861 -7.271  1.00 50.36  ? 399 HOH   A O   1 
HETATM 1108 O  O   . HOH   F 5 .   ? 12.919 -23.300 -5.685  1.00 49.84  ? 400 HOH   A O   1 
HETATM 1109 O  O   . HOH   F 5 .   ? 25.187 -37.240 5.581   1.00 58.10  ? 401 HOH   A O   1 
HETATM 1110 O  O   . HOH   F 5 .   ? 23.523 -39.249 1.220   1.00 65.89  ? 402 HOH   A O   1 
HETATM 1111 O  O   . HOH   F 5 .   ? 33.052 -37.213 3.964   1.00 65.37  ? 403 HOH   A O   1 
HETATM 1112 O  O   . HOH   F 5 .   ? 30.507 -14.971 16.618  1.00 60.64  ? 404 HOH   A O   1 
HETATM 1113 O  O   . HOH   F 5 .   ? 19.553 -34.076 8.454   1.00 58.77  ? 405 HOH   A O   1 
HETATM 1114 O  O   . HOH   F 5 .   ? 13.928 -32.107 -1.658  1.00 43.43  ? 406 HOH   A O   1 
HETATM 1115 O  O   . HOH   F 5 .   ? 28.292 -37.621 7.711   1.00 69.38  ? 407 HOH   A O   1 
HETATM 1116 O  O   . HOH   F 5 .   ? 41.495 -6.729  13.378  1.00 55.51  ? 408 HOH   A O   1 
HETATM 1117 O  O   . HOH   F 5 .   ? 27.122 -12.057 -9.481  1.00 51.48  ? 409 HOH   A O   1 
HETATM 1118 O  O   . HOH   F 5 .   ? 9.456  -28.653 -5.211  1.00 56.85  ? 410 HOH   A O   1 
HETATM 1119 O  O   . HOH   F 5 .   ? 18.139 -19.321 4.828   1.00 48.45  ? 411 HOH   A O   1 
HETATM 1120 O  O   . HOH   F 5 .   ? 32.655 -17.354 -10.381 1.00 50.65  ? 412 HOH   A O   1 
HETATM 1121 O  O   . HOH   F 5 .   ? 42.930 -8.871  4.848   1.00 57.49  ? 413 HOH   A O   1 
HETATM 1122 O  O   . HOH   F 5 .   ? 18.311 -17.278 2.644   1.00 49.59  ? 414 HOH   A O   1 
HETATM 1123 O  O   . HOH   F 5 .   ? 17.659 -33.827 7.337   1.00 53.21  ? 415 HOH   A O   1 
HETATM 1124 O  O   . HOH   F 5 .   ? 25.274 -10.819 19.469  1.00 61.17  ? 416 HOH   A O   1 
HETATM 1125 O  O   . HOH   F 5 .   ? 22.622 -31.904 11.072  1.00 56.05  ? 417 HOH   A O   1 
HETATM 1126 O  O   . HOH   F 5 .   ? 28.333 -18.433 19.640  1.00 60.77  ? 418 HOH   A O   1 
HETATM 1127 O  O   . HOH   F 5 .   ? 31.144 -44.158 2.648   1.00 50.61  ? 419 HOH   A O   1 
HETATM 1128 O  O   . HOH   F 5 .   ? 34.001 -38.070 -5.321  1.00 50.15  ? 420 HOH   A O   1 
HETATM 1129 O  O   . HOH   F 5 .   ? 36.485 -8.402  3.516   1.00 53.06  ? 421 HOH   A O   1 
HETATM 1130 O  O   . HOH   F 5 .   ? 8.417  -34.676 -8.070  1.00 48.35  ? 422 HOH   A O   1 
HETATM 1131 O  O   . HOH   F 5 .   ? 15.236 -19.720 -5.721  1.00 42.98  ? 423 HOH   A O   1 
HETATM 1132 O  O   . HOH   F 5 .   ? 22.344 -15.461 -8.239  1.00 54.33  ? 424 HOH   A O   1 
HETATM 1133 O  O   . HOH   F 5 .   ? 34.736 -29.824 8.247   1.00 52.20  ? 425 HOH   A O   1 
HETATM 1134 O  O   . HOH   F 5 .   ? 16.752 -17.612 0.760   1.00 44.78  ? 426 HOH   A O   1 
HETATM 1135 O  O   . HOH   F 5 .   ? 10.148 -26.266 -4.687  1.00 61.03  ? 427 HOH   A O   1 
HETATM 1136 O  O   . HOH   F 5 .   ? 16.384 -28.985 8.680   1.00 57.38  ? 428 HOH   A O   1 
HETATM 1137 O  O   . HOH   F 5 .   ? 34.893 -31.830 -4.308  1.00 40.81  ? 429 HOH   A O   1 
HETATM 1138 O  O   . HOH   F 5 .   ? 27.343 -16.589 -9.811  1.00 54.16  ? 430 HOH   A O   1 
HETATM 1139 O  O   . HOH   F 5 .   ? 38.946 -27.424 5.926   1.00 59.63  ? 431 HOH   A O   1 
HETATM 1140 O  O   . HOH   F 5 .   ? 29.589 -9.043  16.660  1.00 59.26  ? 432 HOH   A O   1 
HETATM 1141 O  O   . HOH   F 5 .   ? 29.890 -18.222 -11.137 1.00 47.91  ? 433 HOH   A O   1 
HETATM 1142 O  O   . HOH   F 5 .   ? 22.215 -40.182 -9.089  1.00 60.14  ? 434 HOH   A O   1 
# 
