data_8YTH
# 
_entry.id   8YTH 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.399 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   8YTH         pdb_00008yth 10.2210/pdb8yth/pdb 
WWPDB D_1300046358 ?            ?                   
# 
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 
1 'Structure model' 1 0 2024-11-20 
2 'Structure model' 1 1 2024-12-18 
# 
_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.country'                 
2  2 'Structure model' '_citation.journal_abbrev'          
3  2 'Structure model' '_citation.journal_id_CSD'          
4  2 'Structure model' '_citation.journal_id_ISSN'         
5  2 'Structure model' '_citation.journal_volume'          
6  2 'Structure model' '_citation.page_first'              
7  2 'Structure model' '_citation.page_last'               
8  2 'Structure model' '_citation.pdbx_database_id_DOI'    
9  2 'Structure model' '_citation.pdbx_database_id_PubMed' 
10 2 'Structure model' '_citation.title'                   
11 2 'Structure model' '_citation.year'                    
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        8YTH 
_pdbx_database_status.recvd_initial_deposition_date   2024-03-25 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBJ 
_pdbx_database_status.process_site                    PDBC 
_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           Y 
# 
_pdbx_contact_author.id                 3 
_pdbx_contact_author.email              jpding@sibcb.ac.cn 
_pdbx_contact_author.name_first         Jianping 
_pdbx_contact_author.name_last          Ding 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-7029-7346 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Wang, G.C.' 1 0009-0001-9825-3617 
'Ding, J.P.' 2 0000-0001-7029-7346 
# 
_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                   UK 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'Nat Commun' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           2041-1723 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            15 
_citation.language                  ? 
_citation.page_first                10425 
_citation.page_last                 10425 
_citation.title                     
'IRF2BP2 binds to a conserved RxSVI motif of protein partners and regulates megakaryocytic differentiation.' 
_citation.year                      2024 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1038/s41467-024-54889-5 
_citation.pdbx_database_id_PubMed   39616187 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Wang, G.'  1 0009-0001-9825-3617 
primary 'Lu, T.'    2 ?                   
primary 'Zhang, L.' 3 ?                   
primary 'Ding, J.'  4 0000-0001-7029-7346 
# 
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 'Interferon regulatory factor 2-binding protein 2' 8867.110 1 ? ? 'RING domain' ? 
2 polymer     syn 'Zinc finger and BTB domain-containing protein 16' 820.913  1 ? ? ?             ? 
3 non-polymer syn 'ZINC ION'                                         65.409   3 ? ? ?             ? 
4 water       nat water                                              18.015   1 ? ? ?             ? 
# 
loop_
_entity_name_com.entity_id 
_entity_name_com.name 
1 'IRF-2-binding protein 2,IRF-2BP2'                                                            
2 'Promyelocytic leukemia zinc finger protein,Zinc finger protein 145,Zinc finger protein PLZF' 
# 
loop_
_entity_poly.entity_id 
_entity_poly.type 
_entity_poly.nstd_linkage 
_entity_poly.nstd_monomer 
_entity_poly.pdbx_seq_one_letter_code 
_entity_poly.pdbx_seq_one_letter_code_can 
_entity_poly.pdbx_strand_id 
_entity_poly.pdbx_target_identifier 
1 'polypeptide(L)' no no 
;GSLATSAPLCCTLCHERLEDTHFVQCPSVPSHKFCFPCSRQSIKQQGASGEVYCPSGEKCPLVGSNVPWAFMQGEIATIL
AGD
;
;GSLATSAPLCCTLCHERLEDTHFVQCPSVPSHKFCFPCSRQSIKQQGASGEVYCPSGEKCPLVGSNVPWAFMQGEIATIL
AGD
;
A ? 
2 'polypeptide(L)' no no RSSVITSA                                                                               RSSVITSA B ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
3 'ZINC ION' ZN  
4 water      HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1  GLY n 
1 2  SER n 
1 3  LEU n 
1 4  ALA n 
1 5  THR n 
1 6  SER n 
1 7  ALA n 
1 8  PRO n 
1 9  LEU n 
1 10 CYS n 
1 11 CYS n 
1 12 THR n 
1 13 LEU n 
1 14 CYS n 
1 15 HIS n 
1 16 GLU n 
1 17 ARG n 
1 18 LEU n 
1 19 GLU n 
1 20 ASP n 
1 21 THR n 
1 22 HIS n 
1 23 PHE n 
1 24 VAL n 
1 25 GLN n 
1 26 CYS n 
1 27 PRO n 
1 28 SER n 
1 29 VAL n 
1 30 PRO n 
1 31 SER n 
1 32 HIS n 
1 33 LYS n 
1 34 PHE n 
1 35 CYS n 
1 36 PHE n 
1 37 PRO n 
1 38 CYS n 
1 39 SER n 
1 40 ARG n 
1 41 GLN n 
1 42 SER n 
1 43 ILE n 
1 44 LYS n 
1 45 GLN n 
1 46 GLN n 
1 47 GLY n 
1 48 ALA n 
1 49 SER n 
1 50 GLY n 
1 51 GLU n 
1 52 VAL n 
1 53 TYR n 
1 54 CYS n 
1 55 PRO n 
1 56 SER n 
1 57 GLY n 
1 58 GLU n 
1 59 LYS n 
1 60 CYS n 
1 61 PRO n 
1 62 LEU n 
1 63 VAL n 
1 64 GLY n 
1 65 SER n 
1 66 ASN n 
1 67 VAL n 
1 68 PRO n 
1 69 TRP n 
1 70 ALA n 
1 71 PHE n 
1 72 MET n 
1 73 GLN n 
1 74 GLY n 
1 75 GLU n 
1 76 ILE n 
1 77 ALA n 
1 78 THR n 
1 79 ILE n 
1 80 LEU n 
1 81 ALA n 
1 82 GLY n 
1 83 ASP n 
2 1  ARG n 
2 2  SER n 
2 3  SER n 
2 4  VAL n 
2 5  ILE n 
2 6  THR n 
2 7  SER n 
2 8  ALA 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                   83 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 IRF2BP2 
_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      'Homo sapiens' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9606 
_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                   ? 
# 
_pdbx_entity_src_syn.entity_id              2 
_pdbx_entity_src_syn.pdbx_src_id            1 
_pdbx_entity_src_syn.pdbx_alt_source_flag   sample 
_pdbx_entity_src_syn.pdbx_beg_seq_num       1 
_pdbx_entity_src_syn.pdbx_end_seq_num       8 
_pdbx_entity_src_syn.organism_scientific    'Homo sapiens' 
_pdbx_entity_src_syn.organism_common_name   Human 
_pdbx_entity_src_syn.ncbi_taxonomy_id       9606 
_pdbx_entity_src_syn.details                ? 
# 
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 
ALA 'L-peptide linking' y ALANINE         ? 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE        ? 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE      ? 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE        ? 'C3 H7 N O2 S'   121.158 
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 
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 
ZN  non-polymer         . 'ZINC ION'      ? 'Zn 2'           65.409  
# 
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  GLY 1  496 ?   ?   ?   A . n 
A 1 2  SER 2  497 ?   ?   ?   A . n 
A 1 3  LEU 3  498 ?   ?   ?   A . n 
A 1 4  ALA 4  499 ?   ?   ?   A . n 
A 1 5  THR 5  500 ?   ?   ?   A . n 
A 1 6  SER 6  501 ?   ?   ?   A . n 
A 1 7  ALA 7  502 ?   ?   ?   A . n 
A 1 8  PRO 8  503 503 PRO PRO A . n 
A 1 9  LEU 9  504 504 LEU LEU A . n 
A 1 10 CYS 10 505 505 CYS CYS A . n 
A 1 11 CYS 11 506 506 CYS CYS A . n 
A 1 12 THR 12 507 507 THR THR A . n 
A 1 13 LEU 13 508 508 LEU LEU A . n 
A 1 14 CYS 14 509 509 CYS CYS A . n 
A 1 15 HIS 15 510 510 HIS HIS A . n 
A 1 16 GLU 16 511 511 GLU GLU A . n 
A 1 17 ARG 17 512 512 ARG ARG A . n 
A 1 18 LEU 18 513 513 LEU LEU A . n 
A 1 19 GLU 19 514 514 GLU GLU A . n 
A 1 20 ASP 20 515 515 ASP ASP A . n 
A 1 21 THR 21 516 516 THR THR A . n 
A 1 22 HIS 22 517 517 HIS HIS A . n 
A 1 23 PHE 23 518 518 PHE PHE A . n 
A 1 24 VAL 24 519 519 VAL VAL A . n 
A 1 25 GLN 25 520 520 GLN GLN A . n 
A 1 26 CYS 26 521 521 CYS CYS A . n 
A 1 27 PRO 27 522 522 PRO PRO A . n 
A 1 28 SER 28 523 523 SER SER A . n 
A 1 29 VAL 29 524 524 VAL VAL A . n 
A 1 30 PRO 30 525 525 PRO PRO A . n 
A 1 31 SER 31 526 526 SER SER A . n 
A 1 32 HIS 32 527 527 HIS HIS A . n 
A 1 33 LYS 33 528 528 LYS LYS A . n 
A 1 34 PHE 34 529 529 PHE PHE A . n 
A 1 35 CYS 35 530 530 CYS CYS A . n 
A 1 36 PHE 36 531 531 PHE PHE A . n 
A 1 37 PRO 37 532 532 PRO PRO A . n 
A 1 38 CYS 38 533 533 CYS CYS A . n 
A 1 39 SER 39 534 534 SER SER A . n 
A 1 40 ARG 40 535 535 ARG ARG A . n 
A 1 41 GLN 41 536 536 GLN GLN A . n 
A 1 42 SER 42 537 537 SER SER A . n 
A 1 43 ILE 43 538 538 ILE ILE A . n 
A 1 44 LYS 44 539 539 LYS LYS A . n 
A 1 45 GLN 45 540 540 GLN GLN A . n 
A 1 46 GLN 46 541 541 GLN GLN A . n 
A 1 47 GLY 47 542 542 GLY GLY A . n 
A 1 48 ALA 48 543 ?   ?   ?   A . n 
A 1 49 SER 49 544 ?   ?   ?   A . n 
A 1 50 GLY 50 545 ?   ?   ?   A . n 
A 1 51 GLU 51 546 ?   ?   ?   A . n 
A 1 52 VAL 52 547 547 VAL VAL A . n 
A 1 53 TYR 53 548 548 TYR TYR A . n 
A 1 54 CYS 54 549 549 CYS CYS A . n 
A 1 55 PRO 55 550 550 PRO PRO A . n 
A 1 56 SER 56 551 551 SER SER A . n 
A 1 57 GLY 57 552 552 GLY GLY A . n 
A 1 58 GLU 58 553 553 GLU GLU A . n 
A 1 59 LYS 59 554 554 LYS LYS A . n 
A 1 60 CYS 60 555 555 CYS CYS A . n 
A 1 61 PRO 61 556 556 PRO PRO A . n 
A 1 62 LEU 62 557 557 LEU LEU A . n 
A 1 63 VAL 63 558 558 VAL VAL A . n 
A 1 64 GLY 64 559 ?   ?   ?   A . n 
A 1 65 SER 65 560 560 SER SER A . n 
A 1 66 ASN 66 561 561 ASN ASN A . n 
A 1 67 VAL 67 562 562 VAL VAL A . n 
A 1 68 PRO 68 563 563 PRO PRO A . n 
A 1 69 TRP 69 564 564 TRP TRP A . n 
A 1 70 ALA 70 565 565 ALA ALA A . n 
A 1 71 PHE 71 566 566 PHE PHE A . n 
A 1 72 MET 72 567 567 MET MET A . n 
A 1 73 GLN 73 568 568 GLN GLN A . n 
A 1 74 GLY 74 569 569 GLY GLY A . n 
A 1 75 GLU 75 570 570 GLU GLU A . n 
A 1 76 ILE 76 571 571 ILE ILE A . n 
A 1 77 ALA 77 572 572 ALA ALA A . n 
A 1 78 THR 78 573 573 THR THR A . n 
A 1 79 ILE 79 574 574 ILE ILE A . n 
A 1 80 LEU 80 575 575 LEU LEU A . n 
A 1 81 ALA 81 576 576 ALA ALA A . n 
A 1 82 GLY 82 577 ?   ?   ?   A . n 
A 1 83 ASP 83 578 ?   ?   ?   A . n 
B 2 1  ARG 1  1   1   ARG ARG B . n 
B 2 2  SER 2  2   2   SER SER B . n 
B 2 3  SER 3  3   3   SER SER B . n 
B 2 4  VAL 4  4   4   VAL VAL B . n 
B 2 5  ILE 5  5   5   ILE ILE B . n 
B 2 6  THR 6  6   6   THR THR B . n 
B 2 7  SER 7  7   7   SER SER B . n 
B 2 8  ALA 8  8   ?   ?   ?   B . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        ZN 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   ZN 
_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 
C 3 ZN  1 601 1 ZN  ZN  A . 
D 3 ZN  1 602 2 ZN  ZN  A . 
E 3 ZN  1 603 3 ZN  ZN  A . 
F 4 HOH 1 701 1 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 GLU 514 ? CG  ? A GLU 19 CG  
2  1 Y 1 A GLU 514 ? CD  ? A GLU 19 CD  
3  1 Y 1 A GLU 514 ? OE1 ? A GLU 19 OE1 
4  1 Y 1 A GLU 514 ? OE2 ? A GLU 19 OE2 
5  1 Y 1 A LYS 539 ? CG  ? A LYS 44 CG  
6  1 Y 1 A LYS 539 ? CD  ? A LYS 44 CD  
7  1 Y 1 A LYS 539 ? CE  ? A LYS 44 CE  
8  1 Y 1 A LYS 539 ? NZ  ? A LYS 44 NZ  
9  1 Y 1 A TYR 548 ? CG  ? A TYR 53 CG  
10 1 Y 1 A TYR 548 ? CD1 ? A TYR 53 CD1 
11 1 Y 1 A TYR 548 ? CD2 ? A TYR 53 CD2 
12 1 Y 1 A TYR 548 ? CE1 ? A TYR 53 CE1 
13 1 Y 1 A TYR 548 ? CE2 ? A TYR 53 CE2 
14 1 Y 1 A TYR 548 ? CZ  ? A TYR 53 CZ  
15 1 Y 1 A TYR 548 ? OH  ? A TYR 53 OH  
16 1 Y 1 A GLU 553 ? CG  ? A GLU 58 CG  
17 1 Y 1 A GLU 553 ? CD  ? A GLU 58 CD  
18 1 Y 1 A GLU 553 ? OE1 ? A GLU 58 OE1 
19 1 Y 1 A GLU 553 ? OE2 ? A GLU 58 OE2 
20 1 Y 1 A LYS 554 ? CG  ? A LYS 59 CG  
21 1 Y 1 A LYS 554 ? CD  ? A LYS 59 CD  
22 1 Y 1 A LYS 554 ? CE  ? A LYS 59 CE  
23 1 Y 1 A LYS 554 ? NZ  ? A LYS 59 NZ  
24 1 Y 1 A ASN 561 ? CG  ? A ASN 66 CG  
25 1 Y 1 A ASN 561 ? OD1 ? A ASN 66 OD1 
26 1 Y 1 A ASN 561 ? ND2 ? A ASN 66 ND2 
27 1 Y 1 A VAL 562 ? CG1 ? A VAL 67 CG1 
28 1 Y 1 A VAL 562 ? CG2 ? A VAL 67 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   ? ? ? '(1.20.1_4487: ???)' 1 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? .                    2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? .                    3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHENIX   ? ? ? .                    4 
# 
_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                     8YTH 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     47.315 
_cell.length_a_esd                 ? 
_cell.length_b                     47.315 
_cell.length_b_esd                 ? 
_cell.length_c                     57.489 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        6 
_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                         8YTH 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                172 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 64' 
_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                   8YTH 
_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             1.92 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          35.85 
_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, HANGING 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    '0.1 M potassium thiocyanate and 30% (w/v) PEG MME 2000' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_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 PILATUS3 6M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-12-15 
_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   0.9792 
_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                        'SSRF BEAMLINE BL18U1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.9792 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   BL18U1 
_diffrn_source.pdbx_synchrotron_site       SSRF 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       8YTH 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.40 
_reflns.d_resolution_low                               50.00 
_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                                     2903 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           100.0 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                20.0 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          5.1 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               1.851 
_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                                0.165 
_reflns.pdbx_Rpim_I_all                                0.038 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       58179 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.912 
_reflns.pdbx_CC_star                                   0.977 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.161 
_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                        ? 
# 
loop_
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_measured_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.number_unique_obs 
_reflns_shell.percent_possible_obs 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.meanI_over_sigI_gt 
_reflns_shell.meanI_over_uI_all 
_reflns_shell.meanI_over_uI_gt 
_reflns_shell.number_measured_gt 
_reflns_shell.number_unique_gt 
_reflns_shell.percent_possible_gt 
_reflns_shell.Rmerge_F_gt 
_reflns_shell.Rmerge_I_gt 
_reflns_shell.pdbx_redundancy 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_netI_over_sigmaI_all 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_rejects 
_reflns_shell.pdbx_ordinal 
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_CC_half 
_reflns_shell.pdbx_CC_star 
_reflns_shell.pdbx_R_split 
_reflns_shell.percent_possible_all 
_reflns_shell.Rmerge_I_all 
_reflns_shell.Rmerge_I_obs 
_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 
2.40 2.44  ? ? ? ? ? ? 123 ? ? ? ? ? ? ? ? ? ? ? 20.6 0.929 ? ? 0.466 0.103 ? 1  1 0.970 0.992 ? 100.0 ? 0.455 ? ? ? ? ? ? ? ? ? 
2.44 2.49  ? ? ? ? ? ? 162 ? ? ? ? ? ? ? ? ? ? ? 20.6 0.934 ? ? 0.429 0.094 ? 2  1 0.975 0.994 ? 100.0 ? 0.418 ? ? ? ? ? ? ? ? ? 
2.49 2.53  ? ? ? ? ? ? 129 ? ? ? ? ? ? ? ? ? ? ? 20.7 1.012 ? ? 0.370 0.082 ? 3  1 0.978 0.995 ? 100.0 ? 0.361 ? ? ? ? ? ? ? ? ? 
2.53 2.59  ? ? ? ? ? ? 148 ? ? ? ? ? ? ? ? ? ? ? 20.1 0.958 ? ? 0.362 0.081 ? 4  1 0.981 0.995 ? 100.0 ? 0.353 ? ? ? ? ? ? ? ? ? 
2.59 2.64  ? ? ? ? ? ? 157 ? ? ? ? ? ? ? ? ? ? ? 19.4 1.045 ? ? 0.331 0.075 ? 5  1 0.975 0.994 ? 100.0 ? 0.322 ? ? ? ? ? ? ? ? ? 
2.64 2.70  ? ? ? ? ? ? 135 ? ? ? ? ? ? ? ? ? ? ? 20.3 1.150 ? ? 0.300 0.067 ? 6  1 0.982 0.995 ? 100.0 ? 0.292 ? ? ? ? ? ? ? ? ? 
2.70 2.77  ? ? ? ? ? ? 152 ? ? ? ? ? ? ? ? ? ? ? 20.3 1.187 ? ? 0.267 0.060 ? 7  1 0.984 0.996 ? 100.0 ? 0.260 ? ? ? ? ? ? ? ? ? 
2.77 2.85  ? ? ? ? ? ? 140 ? ? ? ? ? ? ? ? ? ? ? 19.8 1.364 ? ? 0.243 0.054 ? 8  1 0.979 0.995 ? 100.0 ? 0.236 ? ? ? ? ? ? ? ? ? 
2.85 2.93  ? ? ? ? ? ? 145 ? ? ? ? ? ? ? ? ? ? ? 20.6 1.440 ? ? 0.219 0.049 ? 9  1 0.991 0.998 ? 100.0 ? 0.213 ? ? ? ? ? ? ? ? ? 
2.93 3.02  ? ? ? ? ? ? 140 ? ? ? ? ? ? ? ? ? ? ? 21.3 1.533 ? ? 0.206 0.045 ? 10 1 0.984 0.996 ? 100.0 ? 0.201 ? ? ? ? ? ? ? ? ? 
3.02 3.13  ? ? ? ? ? ? 152 ? ? ? ? ? ? ? ? ? ? ? 20.9 1.469 ? ? 0.201 0.044 ? 11 1 0.991 0.998 ? 100.0 ? 0.196 ? ? ? ? ? ? ? ? ? 
3.13 3.26  ? ? ? ? ? ? 134 ? ? ? ? ? ? ? ? ? ? ? 20.5 1.750 ? ? 0.171 0.038 ? 12 1 0.993 0.998 ? 100.0 ? 0.167 ? ? ? ? ? ? ? ? ? 
3.26 3.41  ? ? ? ? ? ? 149 ? ? ? ? ? ? ? ? ? ? ? 19.3 1.980 ? ? 0.167 0.037 ? 13 1 0.995 0.999 ? 100.0 ? 0.163 ? ? ? ? ? ? ? ? ? 
3.41 3.58  ? ? ? ? ? ? 142 ? ? ? ? ? ? ? ? ? ? ? 20.7 2.243 ? ? 0.150 0.033 ? 14 1 0.996 0.999 ? 100.0 ? 0.146 ? ? ? ? ? ? ? ? ? 
3.58 3.81  ? ? ? ? ? ? 150 ? ? ? ? ? ? ? ? ? ? ? 19.9 2.242 ? ? 0.154 0.034 ? 15 1 0.995 0.999 ? 100.0 ? 0.151 ? ? ? ? ? ? ? ? ? 
3.81 4.10  ? ? ? ? ? ? 142 ? ? ? ? ? ? ? ? ? ? ? 20.7 2.619 ? ? 0.149 0.033 ? 16 1 0.996 0.999 ? 100.0 ? 0.145 ? ? ? ? ? ? ? ? ? 
4.10 4.52  ? ? ? ? ? ? 143 ? ? ? ? ? ? ? ? ? ? ? 20.5 2.744 ? ? 0.142 0.032 ? 17 1 0.996 0.999 ? 100.0 ? 0.138 ? ? ? ? ? ? ? ? ? 
4.52 5.17  ? ? ? ? ? ? 154 ? ? ? ? ? ? ? ? ? ? ? 19.2 3.019 ? ? 0.149 0.035 ? 18 1 0.995 0.999 ? 100.0 ? 0.145 ? ? ? ? ? ? ? ? ? 
5.17 6.51  ? ? ? ? ? ? 144 ? ? ? ? ? ? ? ? ? ? ? 19.4 3.419 ? ? 0.161 0.037 ? 19 1 0.979 0.995 ? 100.0 ? 0.157 ? ? ? ? ? ? ? ? ? 
6.51 50.00 ? ? ? ? ? ? 162 ? ? ? ? ? ? ? ? ? ? ? 16.8 4.223 ? ? 0.165 0.042 ? 20 1 0.996 0.999 ? 99.4  ? 0.159 ? ? ? ? ? ? ? ? ? 
# 
_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                                 8YTH 
_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                            2.40 
_refine.ls_d_res_low                             33.37 
_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                     2879 
_refine.ls_number_reflns_R_free                  112 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.72 
_refine.ls_percent_reflns_R_free                 3.89 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2447 
_refine.ls_R_factor_R_free                       0.2807 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2430 
_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                          1.40 
_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                 28.01 
_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                            0.00 
_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.pdbx_number_atoms_protein        557 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         3 
_refine_hist.number_atoms_solvent             1 
_refine_hist.number_atoms_total               561 
_refine_hist.d_res_high                       2.40 
_refine_hist.d_res_low                        33.37 
# 
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' ? 0.004  ? 569 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.752  ? 771 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 17.175 ? 198 ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.049  ? 91  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.008  ? 97  ? f_plane_restr      ? ? 
# 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_ls_shell.d_res_high                       2.40 
_refine_ls_shell.d_res_low                        33.37 
_refine_ls_shell.number_reflns_all                ? 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.number_reflns_R_free             112 
_refine_ls_shell.number_reflns_R_work             2767 
_refine_ls_shell.percent_reflns_obs               100.00 
_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                  0.2430 
_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                  0.2807 
# 
_struct.entry_id                     8YTH 
_struct.title                        'Crystal structures of human IRF2BP2 RING domain in complex with ZBTB16 peptide' 
_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        8YTH 
_struct_keywords.text            'IRF2BP2, RING domain, ZBTB16, TRANSCRIPTION' 
_struct_keywords.pdbx_keywords   TRANSCRIPTION 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 3 ? 
E N N 3 ? 
F N N 4 ? 
# 
loop_
_struct_ref.id 
_struct_ref.db_name 
_struct_ref.db_code 
_struct_ref.pdbx_db_accession 
_struct_ref.pdbx_db_isoform 
_struct_ref.entity_id 
_struct_ref.pdbx_seq_one_letter_code 
_struct_ref.pdbx_align_begin 
1 UNP I2BP2_HUMAN Q7Z5L9 ? 1 
;SLATSAPLCCTLCHERLEDTHFVQCPSVPSHKFCFPCSRQSIKQQGASGEVYCPSGEKCPLVGSNVPWAFMQGEIATILA
GD
;
497 
2 UNP ZBT16_HUMAN Q05516 ? 2 RSSVITSA                                                                              285 
# 
loop_
_struct_ref_seq.align_id 
_struct_ref_seq.ref_id 
_struct_ref_seq.pdbx_PDB_id_code 
_struct_ref_seq.pdbx_strand_id 
_struct_ref_seq.seq_align_beg 
_struct_ref_seq.pdbx_seq_align_beg_ins_code 
_struct_ref_seq.seq_align_end 
_struct_ref_seq.pdbx_seq_align_end_ins_code 
_struct_ref_seq.pdbx_db_accession 
_struct_ref_seq.db_align_beg 
_struct_ref_seq.pdbx_db_align_beg_ins_code 
_struct_ref_seq.db_align_end 
_struct_ref_seq.pdbx_db_align_end_ins_code 
_struct_ref_seq.pdbx_auth_seq_align_beg 
_struct_ref_seq.pdbx_auth_seq_align_end 
1 1 8YTH A 2 ? 83 ? Q7Z5L9 497 ? 578 ? 497 578 
2 2 8YTH B 1 ? 8  ? Q05516 285 ? 292 ? 1   8   
# 
_struct_ref_seq_dif.align_id                     1 
_struct_ref_seq_dif.pdbx_pdb_id_code             8YTH 
_struct_ref_seq_dif.mon_id                       GLY 
_struct_ref_seq_dif.pdbx_pdb_strand_id           A 
_struct_ref_seq_dif.seq_num                      1 
_struct_ref_seq_dif.pdbx_pdb_ins_code            ? 
_struct_ref_seq_dif.pdbx_seq_db_name             UNP 
_struct_ref_seq_dif.pdbx_seq_db_accession_code   Q7Z5L9 
_struct_ref_seq_dif.db_mon_id                    ? 
_struct_ref_seq_dif.pdbx_seq_db_seq_num          ? 
_struct_ref_seq_dif.details                      'expression tag' 
_struct_ref_seq_dif.pdbx_auth_seq_num            496 
_struct_ref_seq_dif.pdbx_ordinal                 1 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
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)' 870  ? 
1 MORE         -32  ? 
1 'SSA (A^2)'  4520 ? 
# 
_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   none 
_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 CYS A 35 ? GLY A 47 ? CYS A 530 GLY A 542 1 ? 13 
HELX_P HELX_P2 AA2 MET A 72 ? ALA A 81 ? MET A 567 ALA A 576 1 ? 10 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
metalc1  metalc ? ? A CYS 10 SG  ? ? ? 1_555 E ZN . ZN ? ? A CYS 505 A ZN 603 1_555 ? ? ? ? ? ? ? 2.300 ? ? 
metalc2  metalc ? ? A CYS 11 SG  ? ? ? 1_555 C ZN . ZN ? ? A CYS 506 A ZN 601 1_555 ? ? ? ? ? ? ? 2.356 ? ? 
metalc3  metalc ? ? A CYS 14 SG  ? ? ? 1_555 C ZN . ZN ? ? A CYS 509 A ZN 601 1_555 ? ? ? ? ? ? ? 2.338 ? ? 
metalc4  metalc ? ? A HIS 15 ND1 ? ? ? 1_555 E ZN . ZN ? ? A HIS 510 A ZN 603 1_555 ? ? ? ? ? ? ? 2.308 ? ? 
metalc5  metalc ? ? A HIS 22 ND1 ? ? ? 1_555 E ZN . ZN ? ? A HIS 517 A ZN 603 3_564 ? ? ? ? ? ? ? 2.210 ? ? 
metalc6  metalc ? ? A CYS 26 SG  ? ? ? 1_555 D ZN . ZN ? ? A CYS 521 A ZN 602 1_555 ? ? ? ? ? ? ? 2.316 ? ? 
metalc7  metalc ? ? A HIS 32 ND1 ? ? ? 1_555 D ZN . ZN ? ? A HIS 527 A ZN 602 1_555 ? ? ? ? ? ? ? 2.110 ? ? 
metalc8  metalc ? ? A CYS 35 SG  ? ? ? 1_555 C ZN . ZN ? ? A CYS 530 A ZN 601 1_555 ? ? ? ? ? ? ? 2.320 ? ? 
metalc9  metalc ? ? A CYS 38 SG  ? ? ? 1_555 C ZN . ZN ? ? A CYS 533 A ZN 601 1_555 ? ? ? ? ? ? ? 2.314 ? ? 
metalc10 metalc ? ? A CYS 54 SG  ? ? ? 1_555 D ZN . ZN ? ? A CYS 549 A ZN 602 1_555 ? ? ? ? ? ? ? 2.310 ? ? 
metalc11 metalc ? ? A CYS 60 SG  ? ? ? 1_555 D ZN . ZN ? ? A CYS 555 A ZN 602 1_555 ? ? ? ? ? ? ? 2.305 ? ? 
# 
_struct_conn_type.id          metalc 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1  SG  ? A CYS 10 ? A CYS 505 ? 1_555 ZN ? E ZN . ? A ZN 603 ? 1_555 ND1 ? A HIS 15 ? A HIS 510 ? 1_555 125.9 ? 
2  SG  ? A CYS 10 ? A CYS 505 ? 1_555 ZN ? E ZN . ? A ZN 603 ? 1_555 ND1 ? A HIS 22 ? A HIS 517 ? 1_555 38.6  ? 
3  ND1 ? A HIS 15 ? A HIS 510 ? 1_555 ZN ? E ZN . ? A ZN 603 ? 1_555 ND1 ? A HIS 22 ? A HIS 517 ? 1_555 111.3 ? 
4  SG  ? A CYS 11 ? A CYS 506 ? 1_555 ZN ? C ZN . ? A ZN 601 ? 1_555 SG  ? A CYS 14 ? A CYS 509 ? 1_555 112.0 ? 
5  SG  ? A CYS 11 ? A CYS 506 ? 1_555 ZN ? C ZN . ? A ZN 601 ? 1_555 SG  ? A CYS 35 ? A CYS 530 ? 1_555 113.1 ? 
6  SG  ? A CYS 14 ? A CYS 509 ? 1_555 ZN ? C ZN . ? A ZN 601 ? 1_555 SG  ? A CYS 35 ? A CYS 530 ? 1_555 105.2 ? 
7  SG  ? A CYS 11 ? A CYS 506 ? 1_555 ZN ? C ZN . ? A ZN 601 ? 1_555 SG  ? A CYS 38 ? A CYS 533 ? 1_555 102.1 ? 
8  SG  ? A CYS 14 ? A CYS 509 ? 1_555 ZN ? C ZN . ? A ZN 601 ? 1_555 SG  ? A CYS 38 ? A CYS 533 ? 1_555 121.8 ? 
9  SG  ? A CYS 35 ? A CYS 530 ? 1_555 ZN ? C ZN . ? A ZN 601 ? 1_555 SG  ? A CYS 38 ? A CYS 533 ? 1_555 102.3 ? 
10 SG  ? A CYS 26 ? A CYS 521 ? 1_555 ZN ? D ZN . ? A ZN 602 ? 1_555 ND1 ? A HIS 32 ? A HIS 527 ? 1_555 112.6 ? 
11 SG  ? A CYS 26 ? A CYS 521 ? 1_555 ZN ? D ZN . ? A ZN 602 ? 1_555 SG  ? A CYS 54 ? A CYS 549 ? 1_555 111.2 ? 
12 ND1 ? A HIS 32 ? A HIS 527 ? 1_555 ZN ? D ZN . ? A ZN 602 ? 1_555 SG  ? A CYS 54 ? A CYS 549 ? 1_555 112.0 ? 
13 SG  ? A CYS 26 ? A CYS 521 ? 1_555 ZN ? D ZN . ? A ZN 602 ? 1_555 SG  ? A CYS 60 ? A CYS 555 ? 1_555 109.4 ? 
14 ND1 ? A HIS 32 ? A HIS 527 ? 1_555 ZN ? D ZN . ? A ZN 602 ? 1_555 SG  ? A CYS 60 ? A CYS 555 ? 1_555 103.4 ? 
15 SG  ? A CYS 54 ? A CYS 549 ? 1_555 ZN ? D ZN . ? A ZN 602 ? 1_555 SG  ? A CYS 60 ? A CYS 555 ? 1_555 107.8 ? 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   3 
_struct_sheet.details          ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 LYS A 33 ? PHE A 34 ? LYS A 528 PHE A 529 
AA1 2 PHE A 23 ? GLN A 25 ? PHE A 518 GLN A 520 
AA1 3 ILE B 5  ? THR B 6  ? ILE B 5   THR B 6   
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 O PHE A 34 ? O PHE A 529 N VAL A 24 ? N VAL A 519 
AA1 2 3 N PHE A 23 ? N PHE A 518 O THR B 6  ? O THR B 6   
# 
_pdbx_entry_details.entry_id                   8YTH 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   N 
# 
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 GLY 496 ? A GLY 1  
2  1 Y 1 A SER 497 ? A SER 2  
3  1 Y 1 A LEU 498 ? A LEU 3  
4  1 Y 1 A ALA 499 ? A ALA 4  
5  1 Y 1 A THR 500 ? A THR 5  
6  1 Y 1 A SER 501 ? A SER 6  
7  1 Y 1 A ALA 502 ? A ALA 7  
8  1 Y 1 A ALA 543 ? A ALA 48 
9  1 Y 1 A SER 544 ? A SER 49 
10 1 Y 1 A GLY 545 ? A GLY 50 
11 1 Y 1 A GLU 546 ? A GLU 51 
12 1 Y 1 A GLY 559 ? A GLY 64 
13 1 Y 1 A GLY 577 ? A GLY 82 
14 1 Y 1 A ASP 578 ? A ASP 83 
15 1 Y 1 B ALA 8   ? B ALA 8  
# 
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 
ALA N    N  N N 1   
ALA CA   C  N S 2   
ALA C    C  N N 3   
ALA O    O  N N 4   
ALA CB   C  N N 5   
ALA OXT  O  N N 6   
ALA H    H  N N 7   
ALA H2   H  N N 8   
ALA HA   H  N N 9   
ALA HB1  H  N N 10  
ALA HB2  H  N N 11  
ALA HB3  H  N N 12  
ALA HXT  H  N N 13  
ARG N    N  N N 14  
ARG CA   C  N S 15  
ARG C    C  N N 16  
ARG O    O  N N 17  
ARG CB   C  N N 18  
ARG CG   C  N N 19  
ARG CD   C  N N 20  
ARG NE   N  N N 21  
ARG CZ   C  N N 22  
ARG NH1  N  N N 23  
ARG NH2  N  N N 24  
ARG OXT  O  N N 25  
ARG H    H  N N 26  
ARG H2   H  N N 27  
ARG HA   H  N N 28  
ARG HB2  H  N N 29  
ARG HB3  H  N N 30  
ARG HG2  H  N N 31  
ARG HG3  H  N N 32  
ARG HD2  H  N N 33  
ARG HD3  H  N N 34  
ARG HE   H  N N 35  
ARG HH11 H  N N 36  
ARG HH12 H  N N 37  
ARG HH21 H  N N 38  
ARG HH22 H  N N 39  
ARG HXT  H  N N 40  
ASN N    N  N N 41  
ASN CA   C  N S 42  
ASN C    C  N N 43  
ASN O    O  N N 44  
ASN CB   C  N N 45  
ASN CG   C  N N 46  
ASN OD1  O  N N 47  
ASN ND2  N  N N 48  
ASN OXT  O  N N 49  
ASN H    H  N N 50  
ASN H2   H  N N 51  
ASN HA   H  N N 52  
ASN HB2  H  N N 53  
ASN HB3  H  N N 54  
ASN HD21 H  N N 55  
ASN HD22 H  N N 56  
ASN HXT  H  N N 57  
ASP N    N  N N 58  
ASP CA   C  N S 59  
ASP C    C  N N 60  
ASP O    O  N N 61  
ASP CB   C  N N 62  
ASP CG   C  N N 63  
ASP OD1  O  N N 64  
ASP OD2  O  N N 65  
ASP OXT  O  N N 66  
ASP H    H  N N 67  
ASP H2   H  N N 68  
ASP HA   H  N N 69  
ASP HB2  H  N N 70  
ASP HB3  H  N N 71  
ASP HD2  H  N N 72  
ASP HXT  H  N N 73  
CYS N    N  N N 74  
CYS CA   C  N R 75  
CYS C    C  N N 76  
CYS O    O  N N 77  
CYS CB   C  N N 78  
CYS SG   S  N N 79  
CYS OXT  O  N N 80  
CYS H    H  N N 81  
CYS H2   H  N N 82  
CYS HA   H  N N 83  
CYS HB2  H  N N 84  
CYS HB3  H  N N 85  
CYS HG   H  N N 86  
CYS HXT  H  N N 87  
GLN N    N  N N 88  
GLN CA   C  N S 89  
GLN C    C  N N 90  
GLN O    O  N N 91  
GLN CB   C  N N 92  
GLN CG   C  N N 93  
GLN CD   C  N N 94  
GLN OE1  O  N N 95  
GLN NE2  N  N N 96  
GLN OXT  O  N N 97  
GLN H    H  N N 98  
GLN H2   H  N N 99  
GLN HA   H  N N 100 
GLN HB2  H  N N 101 
GLN HB3  H  N N 102 
GLN HG2  H  N N 103 
GLN HG3  H  N N 104 
GLN HE21 H  N N 105 
GLN HE22 H  N N 106 
GLN HXT  H  N N 107 
GLU N    N  N N 108 
GLU CA   C  N S 109 
GLU C    C  N N 110 
GLU O    O  N N 111 
GLU CB   C  N N 112 
GLU CG   C  N N 113 
GLU CD   C  N N 114 
GLU OE1  O  N N 115 
GLU OE2  O  N N 116 
GLU OXT  O  N N 117 
GLU H    H  N N 118 
GLU H2   H  N N 119 
GLU HA   H  N N 120 
GLU HB2  H  N N 121 
GLU HB3  H  N N 122 
GLU HG2  H  N N 123 
GLU HG3  H  N N 124 
GLU HE2  H  N N 125 
GLU HXT  H  N N 126 
GLY N    N  N N 127 
GLY CA   C  N N 128 
GLY C    C  N N 129 
GLY O    O  N N 130 
GLY OXT  O  N N 131 
GLY H    H  N N 132 
GLY H2   H  N N 133 
GLY HA2  H  N N 134 
GLY HA3  H  N N 135 
GLY HXT  H  N N 136 
HIS N    N  N N 137 
HIS CA   C  N S 138 
HIS C    C  N N 139 
HIS O    O  N N 140 
HIS CB   C  N N 141 
HIS CG   C  Y N 142 
HIS ND1  N  Y N 143 
HIS CD2  C  Y N 144 
HIS CE1  C  Y N 145 
HIS NE2  N  Y N 146 
HIS OXT  O  N N 147 
HIS H    H  N N 148 
HIS H2   H  N N 149 
HIS HA   H  N N 150 
HIS HB2  H  N N 151 
HIS HB3  H  N N 152 
HIS HD1  H  N N 153 
HIS HD2  H  N N 154 
HIS HE1  H  N N 155 
HIS HE2  H  N N 156 
HIS HXT  H  N N 157 
HOH O    O  N N 158 
HOH H1   H  N N 159 
HOH H2   H  N N 160 
ILE N    N  N N 161 
ILE CA   C  N S 162 
ILE C    C  N N 163 
ILE O    O  N N 164 
ILE CB   C  N S 165 
ILE CG1  C  N N 166 
ILE CG2  C  N N 167 
ILE CD1  C  N N 168 
ILE OXT  O  N N 169 
ILE H    H  N N 170 
ILE H2   H  N N 171 
ILE HA   H  N N 172 
ILE HB   H  N N 173 
ILE HG12 H  N N 174 
ILE HG13 H  N N 175 
ILE HG21 H  N N 176 
ILE HG22 H  N N 177 
ILE HG23 H  N N 178 
ILE HD11 H  N N 179 
ILE HD12 H  N N 180 
ILE HD13 H  N N 181 
ILE HXT  H  N N 182 
LEU N    N  N N 183 
LEU CA   C  N S 184 
LEU C    C  N N 185 
LEU O    O  N N 186 
LEU CB   C  N N 187 
LEU CG   C  N N 188 
LEU CD1  C  N N 189 
LEU CD2  C  N N 190 
LEU OXT  O  N N 191 
LEU H    H  N N 192 
LEU H2   H  N N 193 
LEU HA   H  N N 194 
LEU HB2  H  N N 195 
LEU HB3  H  N N 196 
LEU HG   H  N N 197 
LEU HD11 H  N N 198 
LEU HD12 H  N N 199 
LEU HD13 H  N N 200 
LEU HD21 H  N N 201 
LEU HD22 H  N N 202 
LEU HD23 H  N N 203 
LEU HXT  H  N N 204 
LYS N    N  N N 205 
LYS CA   C  N S 206 
LYS C    C  N N 207 
LYS O    O  N N 208 
LYS CB   C  N N 209 
LYS CG   C  N N 210 
LYS CD   C  N N 211 
LYS CE   C  N N 212 
LYS NZ   N  N N 213 
LYS OXT  O  N N 214 
LYS H    H  N N 215 
LYS H2   H  N N 216 
LYS HA   H  N N 217 
LYS HB2  H  N N 218 
LYS HB3  H  N N 219 
LYS HG2  H  N N 220 
LYS HG3  H  N N 221 
LYS HD2  H  N N 222 
LYS HD3  H  N N 223 
LYS HE2  H  N N 224 
LYS HE3  H  N N 225 
LYS HZ1  H  N N 226 
LYS HZ2  H  N N 227 
LYS HZ3  H  N N 228 
LYS HXT  H  N N 229 
MET N    N  N N 230 
MET CA   C  N S 231 
MET C    C  N N 232 
MET O    O  N N 233 
MET CB   C  N N 234 
MET CG   C  N N 235 
MET SD   S  N N 236 
MET CE   C  N N 237 
MET OXT  O  N N 238 
MET H    H  N N 239 
MET H2   H  N N 240 
MET HA   H  N N 241 
MET HB2  H  N N 242 
MET HB3  H  N N 243 
MET HG2  H  N N 244 
MET HG3  H  N N 245 
MET HE1  H  N N 246 
MET HE2  H  N N 247 
MET HE3  H  N N 248 
MET HXT  H  N N 249 
PHE N    N  N N 250 
PHE CA   C  N S 251 
PHE C    C  N N 252 
PHE O    O  N N 253 
PHE CB   C  N N 254 
PHE CG   C  Y N 255 
PHE CD1  C  Y N 256 
PHE CD2  C  Y N 257 
PHE CE1  C  Y N 258 
PHE CE2  C  Y N 259 
PHE CZ   C  Y N 260 
PHE OXT  O  N N 261 
PHE H    H  N N 262 
PHE H2   H  N N 263 
PHE HA   H  N N 264 
PHE HB2  H  N N 265 
PHE HB3  H  N N 266 
PHE HD1  H  N N 267 
PHE HD2  H  N N 268 
PHE HE1  H  N N 269 
PHE HE2  H  N N 270 
PHE HZ   H  N N 271 
PHE HXT  H  N N 272 
PRO N    N  N N 273 
PRO CA   C  N S 274 
PRO C    C  N N 275 
PRO O    O  N N 276 
PRO CB   C  N N 277 
PRO CG   C  N N 278 
PRO CD   C  N N 279 
PRO OXT  O  N N 280 
PRO H    H  N N 281 
PRO HA   H  N N 282 
PRO HB2  H  N N 283 
PRO HB3  H  N N 284 
PRO HG2  H  N N 285 
PRO HG3  H  N N 286 
PRO HD2  H  N N 287 
PRO HD3  H  N N 288 
PRO HXT  H  N N 289 
SER N    N  N N 290 
SER CA   C  N S 291 
SER C    C  N N 292 
SER O    O  N N 293 
SER CB   C  N N 294 
SER OG   O  N N 295 
SER OXT  O  N N 296 
SER H    H  N N 297 
SER H2   H  N N 298 
SER HA   H  N N 299 
SER HB2  H  N N 300 
SER HB3  H  N N 301 
SER HG   H  N N 302 
SER HXT  H  N N 303 
THR N    N  N N 304 
THR CA   C  N S 305 
THR C    C  N N 306 
THR O    O  N N 307 
THR CB   C  N R 308 
THR OG1  O  N N 309 
THR CG2  C  N N 310 
THR OXT  O  N N 311 
THR H    H  N N 312 
THR H2   H  N N 313 
THR HA   H  N N 314 
THR HB   H  N N 315 
THR HG1  H  N N 316 
THR HG21 H  N N 317 
THR HG22 H  N N 318 
THR HG23 H  N N 319 
THR HXT  H  N N 320 
TRP N    N  N N 321 
TRP CA   C  N S 322 
TRP C    C  N N 323 
TRP O    O  N N 324 
TRP CB   C  N N 325 
TRP CG   C  Y N 326 
TRP CD1  C  Y N 327 
TRP CD2  C  Y N 328 
TRP NE1  N  Y N 329 
TRP CE2  C  Y N 330 
TRP CE3  C  Y N 331 
TRP CZ2  C  Y N 332 
TRP CZ3  C  Y N 333 
TRP CH2  C  Y N 334 
TRP OXT  O  N N 335 
TRP H    H  N N 336 
TRP H2   H  N N 337 
TRP HA   H  N N 338 
TRP HB2  H  N N 339 
TRP HB3  H  N N 340 
TRP HD1  H  N N 341 
TRP HE1  H  N N 342 
TRP HE3  H  N N 343 
TRP HZ2  H  N N 344 
TRP HZ3  H  N N 345 
TRP HH2  H  N N 346 
TRP HXT  H  N N 347 
TYR N    N  N N 348 
TYR CA   C  N S 349 
TYR C    C  N N 350 
TYR O    O  N N 351 
TYR CB   C  N N 352 
TYR CG   C  Y N 353 
TYR CD1  C  Y N 354 
TYR CD2  C  Y N 355 
TYR CE1  C  Y N 356 
TYR CE2  C  Y N 357 
TYR CZ   C  Y N 358 
TYR OH   O  N N 359 
TYR OXT  O  N N 360 
TYR H    H  N N 361 
TYR H2   H  N N 362 
TYR HA   H  N N 363 
TYR HB2  H  N N 364 
TYR HB3  H  N N 365 
TYR HD1  H  N N 366 
TYR HD2  H  N N 367 
TYR HE1  H  N N 368 
TYR HE2  H  N N 369 
TYR HH   H  N N 370 
TYR HXT  H  N N 371 
VAL N    N  N N 372 
VAL CA   C  N S 373 
VAL C    C  N N 374 
VAL O    O  N N 375 
VAL CB   C  N N 376 
VAL CG1  C  N N 377 
VAL CG2  C  N N 378 
VAL OXT  O  N N 379 
VAL H    H  N N 380 
VAL H2   H  N N 381 
VAL HA   H  N N 382 
VAL HB   H  N N 383 
VAL HG11 H  N N 384 
VAL HG12 H  N N 385 
VAL HG13 H  N N 386 
VAL HG21 H  N N 387 
VAL HG22 H  N N 388 
VAL HG23 H  N N 389 
VAL HXT  H  N N 390 
ZN  ZN   ZN N N 391 
# 
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 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
GLN N   CA   sing N N 83  
GLN N   H    sing N N 84  
GLN N   H2   sing N N 85  
GLN CA  C    sing N N 86  
GLN CA  CB   sing N N 87  
GLN CA  HA   sing N N 88  
GLN C   O    doub N N 89  
GLN C   OXT  sing N N 90  
GLN CB  CG   sing N N 91  
GLN CB  HB2  sing N N 92  
GLN CB  HB3  sing N N 93  
GLN CG  CD   sing N N 94  
GLN CG  HG2  sing N N 95  
GLN CG  HG3  sing N N 96  
GLN CD  OE1  doub N N 97  
GLN CD  NE2  sing N N 98  
GLN NE2 HE21 sing N N 99  
GLN NE2 HE22 sing N N 100 
GLN OXT HXT  sing N N 101 
GLU N   CA   sing N N 102 
GLU N   H    sing N N 103 
GLU N   H2   sing N N 104 
GLU CA  C    sing N N 105 
GLU CA  CB   sing N N 106 
GLU CA  HA   sing N N 107 
GLU C   O    doub N N 108 
GLU C   OXT  sing N N 109 
GLU CB  CG   sing N N 110 
GLU CB  HB2  sing N N 111 
GLU CB  HB3  sing N N 112 
GLU CG  CD   sing N N 113 
GLU CG  HG2  sing N N 114 
GLU CG  HG3  sing N N 115 
GLU CD  OE1  doub N N 116 
GLU CD  OE2  sing N N 117 
GLU OE2 HE2  sing N N 118 
GLU OXT HXT  sing N N 119 
GLY N   CA   sing N N 120 
GLY N   H    sing N N 121 
GLY N   H2   sing N N 122 
GLY CA  C    sing N N 123 
GLY CA  HA2  sing N N 124 
GLY CA  HA3  sing N N 125 
GLY C   O    doub N N 126 
GLY C   OXT  sing N N 127 
GLY OXT HXT  sing N N 128 
HIS N   CA   sing N N 129 
HIS N   H    sing N N 130 
HIS N   H2   sing N N 131 
HIS CA  C    sing N N 132 
HIS CA  CB   sing N N 133 
HIS CA  HA   sing N N 134 
HIS C   O    doub N N 135 
HIS C   OXT  sing N N 136 
HIS CB  CG   sing N N 137 
HIS CB  HB2  sing N N 138 
HIS CB  HB3  sing N N 139 
HIS CG  ND1  sing Y N 140 
HIS CG  CD2  doub Y N 141 
HIS ND1 CE1  doub Y N 142 
HIS ND1 HD1  sing N N 143 
HIS CD2 NE2  sing Y N 144 
HIS CD2 HD2  sing N N 145 
HIS CE1 NE2  sing Y N 146 
HIS CE1 HE1  sing N N 147 
HIS NE2 HE2  sing N N 148 
HIS OXT HXT  sing N N 149 
HOH O   H1   sing N N 150 
HOH O   H2   sing N N 151 
ILE N   CA   sing N N 152 
ILE N   H    sing N N 153 
ILE N   H2   sing N N 154 
ILE CA  C    sing N N 155 
ILE CA  CB   sing N N 156 
ILE CA  HA   sing N N 157 
ILE C   O    doub N N 158 
ILE C   OXT  sing N N 159 
ILE CB  CG1  sing N N 160 
ILE CB  CG2  sing N N 161 
ILE CB  HB   sing N N 162 
ILE CG1 CD1  sing N N 163 
ILE CG1 HG12 sing N N 164 
ILE CG1 HG13 sing N N 165 
ILE CG2 HG21 sing N N 166 
ILE CG2 HG22 sing N N 167 
ILE CG2 HG23 sing N N 168 
ILE CD1 HD11 sing N N 169 
ILE CD1 HD12 sing N N 170 
ILE CD1 HD13 sing N N 171 
ILE OXT HXT  sing N N 172 
LEU N   CA   sing N N 173 
LEU N   H    sing N N 174 
LEU N   H2   sing N N 175 
LEU CA  C    sing N N 176 
LEU CA  CB   sing N N 177 
LEU CA  HA   sing N N 178 
LEU C   O    doub N N 179 
LEU C   OXT  sing N N 180 
LEU CB  CG   sing N N 181 
LEU CB  HB2  sing N N 182 
LEU CB  HB3  sing N N 183 
LEU CG  CD1  sing N N 184 
LEU CG  CD2  sing N N 185 
LEU CG  HG   sing N N 186 
LEU CD1 HD11 sing N N 187 
LEU CD1 HD12 sing N N 188 
LEU CD1 HD13 sing N N 189 
LEU CD2 HD21 sing N N 190 
LEU CD2 HD22 sing N N 191 
LEU CD2 HD23 sing N N 192 
LEU OXT HXT  sing N N 193 
LYS N   CA   sing N N 194 
LYS N   H    sing N N 195 
LYS N   H2   sing N N 196 
LYS CA  C    sing N N 197 
LYS CA  CB   sing N N 198 
LYS CA  HA   sing N N 199 
LYS C   O    doub N N 200 
LYS C   OXT  sing N N 201 
LYS CB  CG   sing N N 202 
LYS CB  HB2  sing N N 203 
LYS CB  HB3  sing N N 204 
LYS CG  CD   sing N N 205 
LYS CG  HG2  sing N N 206 
LYS CG  HG3  sing N N 207 
LYS CD  CE   sing N N 208 
LYS CD  HD2  sing N N 209 
LYS CD  HD3  sing N N 210 
LYS CE  NZ   sing N N 211 
LYS CE  HE2  sing N N 212 
LYS CE  HE3  sing N N 213 
LYS NZ  HZ1  sing N N 214 
LYS NZ  HZ2  sing N N 215 
LYS NZ  HZ3  sing N N 216 
LYS OXT HXT  sing N N 217 
MET N   CA   sing N N 218 
MET N   H    sing N N 219 
MET N   H2   sing N N 220 
MET CA  C    sing N N 221 
MET CA  CB   sing N N 222 
MET CA  HA   sing N N 223 
MET C   O    doub N N 224 
MET C   OXT  sing N N 225 
MET CB  CG   sing N N 226 
MET CB  HB2  sing N N 227 
MET CB  HB3  sing N N 228 
MET CG  SD   sing N N 229 
MET CG  HG2  sing N N 230 
MET CG  HG3  sing N N 231 
MET SD  CE   sing N N 232 
MET CE  HE1  sing N N 233 
MET CE  HE2  sing N N 234 
MET CE  HE3  sing N N 235 
MET OXT HXT  sing N N 236 
PHE N   CA   sing N N 237 
PHE N   H    sing N N 238 
PHE N   H2   sing N N 239 
PHE CA  C    sing N N 240 
PHE CA  CB   sing N N 241 
PHE CA  HA   sing N N 242 
PHE C   O    doub N N 243 
PHE C   OXT  sing N N 244 
PHE CB  CG   sing N N 245 
PHE CB  HB2  sing N N 246 
PHE CB  HB3  sing N N 247 
PHE CG  CD1  doub Y N 248 
PHE CG  CD2  sing Y N 249 
PHE CD1 CE1  sing Y N 250 
PHE CD1 HD1  sing N N 251 
PHE CD2 CE2  doub Y N 252 
PHE CD2 HD2  sing N N 253 
PHE CE1 CZ   doub Y N 254 
PHE CE1 HE1  sing N N 255 
PHE CE2 CZ   sing Y N 256 
PHE CE2 HE2  sing N N 257 
PHE CZ  HZ   sing N N 258 
PHE OXT HXT  sing N N 259 
PRO N   CA   sing N N 260 
PRO N   CD   sing N N 261 
PRO N   H    sing N N 262 
PRO CA  C    sing N N 263 
PRO CA  CB   sing N N 264 
PRO CA  HA   sing N N 265 
PRO C   O    doub N N 266 
PRO C   OXT  sing N N 267 
PRO CB  CG   sing N N 268 
PRO CB  HB2  sing N N 269 
PRO CB  HB3  sing N N 270 
PRO CG  CD   sing N N 271 
PRO CG  HG2  sing N N 272 
PRO CG  HG3  sing N N 273 
PRO CD  HD2  sing N N 274 
PRO CD  HD3  sing N N 275 
PRO OXT HXT  sing N N 276 
SER N   CA   sing N N 277 
SER N   H    sing N N 278 
SER N   H2   sing N N 279 
SER CA  C    sing N N 280 
SER CA  CB   sing N N 281 
SER CA  HA   sing N N 282 
SER C   O    doub N N 283 
SER C   OXT  sing N N 284 
SER CB  OG   sing N N 285 
SER CB  HB2  sing N N 286 
SER CB  HB3  sing N N 287 
SER OG  HG   sing N N 288 
SER OXT HXT  sing N N 289 
THR N   CA   sing N N 290 
THR N   H    sing N N 291 
THR N   H2   sing N N 292 
THR CA  C    sing N N 293 
THR CA  CB   sing N N 294 
THR CA  HA   sing N N 295 
THR C   O    doub N N 296 
THR C   OXT  sing N N 297 
THR CB  OG1  sing N N 298 
THR CB  CG2  sing N N 299 
THR CB  HB   sing N N 300 
THR OG1 HG1  sing N N 301 
THR CG2 HG21 sing N N 302 
THR CG2 HG22 sing N N 303 
THR CG2 HG23 sing N N 304 
THR OXT HXT  sing N N 305 
TRP N   CA   sing N N 306 
TRP N   H    sing N N 307 
TRP N   H2   sing N N 308 
TRP CA  C    sing N N 309 
TRP CA  CB   sing N N 310 
TRP CA  HA   sing N N 311 
TRP C   O    doub N N 312 
TRP C   OXT  sing N N 313 
TRP CB  CG   sing N N 314 
TRP CB  HB2  sing N N 315 
TRP CB  HB3  sing N N 316 
TRP CG  CD1  doub Y N 317 
TRP CG  CD2  sing Y N 318 
TRP CD1 NE1  sing Y N 319 
TRP CD1 HD1  sing N N 320 
TRP CD2 CE2  doub Y N 321 
TRP CD2 CE3  sing Y N 322 
TRP NE1 CE2  sing Y N 323 
TRP NE1 HE1  sing N N 324 
TRP CE2 CZ2  sing Y N 325 
TRP CE3 CZ3  doub Y N 326 
TRP CE3 HE3  sing N N 327 
TRP CZ2 CH2  doub Y N 328 
TRP CZ2 HZ2  sing N N 329 
TRP CZ3 CH2  sing Y N 330 
TRP CZ3 HZ3  sing N N 331 
TRP CH2 HH2  sing N N 332 
TRP OXT HXT  sing N N 333 
TYR N   CA   sing N N 334 
TYR N   H    sing N N 335 
TYR N   H2   sing N N 336 
TYR CA  C    sing N N 337 
TYR CA  CB   sing N N 338 
TYR CA  HA   sing N N 339 
TYR C   O    doub N N 340 
TYR C   OXT  sing N N 341 
TYR CB  CG   sing N N 342 
TYR CB  HB2  sing N N 343 
TYR CB  HB3  sing N N 344 
TYR CG  CD1  doub Y N 345 
TYR CG  CD2  sing Y N 346 
TYR CD1 CE1  sing Y N 347 
TYR CD1 HD1  sing N N 348 
TYR CD2 CE2  doub Y N 349 
TYR CD2 HD2  sing N N 350 
TYR CE1 CZ   doub Y N 351 
TYR CE1 HE1  sing N N 352 
TYR CE2 CZ   sing Y N 353 
TYR CE2 HE2  sing N N 354 
TYR CZ  OH   sing N N 355 
TYR OH  HH   sing N N 356 
TYR OXT HXT  sing N N 357 
VAL N   CA   sing N N 358 
VAL N   H    sing N N 359 
VAL N   H2   sing N N 360 
VAL CA  C    sing N N 361 
VAL CA  CB   sing N N 362 
VAL CA  HA   sing N N 363 
VAL C   O    doub N N 364 
VAL C   OXT  sing N N 365 
VAL CB  CG1  sing N N 366 
VAL CB  CG2  sing N N 367 
VAL CB  HB   sing N N 368 
VAL CG1 HG11 sing N N 369 
VAL CG1 HG12 sing N N 370 
VAL CG1 HG13 sing N N 371 
VAL CG2 HG21 sing N N 372 
VAL CG2 HG22 sing N N 373 
VAL CG2 HG23 sing N N 374 
VAL OXT HXT  sing N N 375 
# 
_pdbx_audit_support.funding_organization   'Chinese Academy of Sciences' 
_pdbx_audit_support.country                China 
_pdbx_audit_support.grant_number           XDB37030305 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   8YTF 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    8YTH 
_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]   0.021135 
_atom_sites.fract_transf_matrix[1][2]   0.012202 
_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]   0.024405 
_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]   0.017395 
_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  
N  
O  
S  
ZN 
# 
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   . PRO A 1 8  ? -4.773  27.661 17.657 1.00 39.24  ? 503 PRO A N   1 
ATOM   2   C  CA  . PRO A 1 8  ? -3.587  28.494 17.430 1.00 47.74  ? 503 PRO A CA  1 
ATOM   3   C  C   . PRO A 1 8  ? -2.996  28.203 16.052 1.00 53.17  ? 503 PRO A C   1 
ATOM   4   O  O   . PRO A 1 8  ? -2.736  27.047 15.717 1.00 46.46  ? 503 PRO A O   1 
ATOM   5   C  CB  . PRO A 1 8  ? -2.632  28.089 18.565 1.00 49.01  ? 503 PRO A CB  1 
ATOM   6   C  CG  . PRO A 1 8  ? -3.099  26.749 19.014 1.00 45.77  ? 503 PRO A CG  1 
ATOM   7   C  CD  . PRO A 1 8  ? -4.567  26.641 18.696 1.00 49.50  ? 503 PRO A CD  1 
ATOM   8   N  N   . LEU A 1 9  ? -2.817  29.247 15.248 1.00 51.92  ? 504 LEU A N   1 
ATOM   9   C  CA  . LEU A 1 9  ? -2.486  29.063 13.837 1.00 56.23  ? 504 LEU A CA  1 
ATOM   10  C  C   . LEU A 1 9  ? -0.975  29.049 13.624 1.00 56.04  ? 504 LEU A C   1 
ATOM   11  O  O   . LEU A 1 9  ? -0.402  29.905 12.950 1.00 62.93  ? 504 LEU A O   1 
ATOM   12  C  CB  . LEU A 1 9  ? -3.140  30.143 12.989 1.00 57.21  ? 504 LEU A CB  1 
ATOM   13  C  CG  . LEU A 1 9  ? -4.051  29.643 11.871 1.00 59.80  ? 504 LEU A CG  1 
ATOM   14  C  CD1 . LEU A 1 9  ? -4.104  30.681 10.769 1.00 71.34  ? 504 LEU A CD1 1 
ATOM   15  C  CD2 . LEU A 1 9  ? -3.628  28.281 11.318 1.00 56.39  ? 504 LEU A CD2 1 
ATOM   16  N  N   . CYS A 1 10 ? -0.327  28.049 14.212 1.00 54.46  ? 505 CYS A N   1 
ATOM   17  C  CA  . CYS A 1 10 ? 1.080   27.831 13.933 1.00 57.29  ? 505 CYS A CA  1 
ATOM   18  C  C   . CYS A 1 10 ? 1.409   26.386 14.268 1.00 44.91  ? 505 CYS A C   1 
ATOM   19  O  O   . CYS A 1 10 ? 0.655   25.697 14.962 1.00 41.34  ? 505 CYS A O   1 
ATOM   20  C  CB  . CYS A 1 10 ? 1.970   28.840 14.675 1.00 58.86  ? 505 CYS A CB  1 
ATOM   21  S  SG  . CYS A 1 10 ? 2.777   28.337 16.181 1.00 55.44  ? 505 CYS A SG  1 
ATOM   22  N  N   . CYS A 1 11 ? 2.533   25.931 13.723 1.00 46.73  ? 506 CYS A N   1 
ATOM   23  C  CA  . CYS A 1 11 ? 2.877   24.518 13.724 1.00 47.59  ? 506 CYS A CA  1 
ATOM   24  C  C   . CYS A 1 11 ? 3.175   24.055 15.143 1.00 43.20  ? 506 CYS A C   1 
ATOM   25  O  O   . CYS A 1 11 ? 3.905   24.716 15.881 1.00 44.97  ? 506 CYS A O   1 
ATOM   26  C  CB  . CYS A 1 11 ? 4.077   24.287 12.812 1.00 46.41  ? 506 CYS A CB  1 
ATOM   27  S  SG  . CYS A 1 11 ? 4.684   22.604 12.747 1.00 50.21  ? 506 CYS A SG  1 
ATOM   28  N  N   . THR A 1 12 ? 2.600   22.923 15.537 1.00 43.06  ? 507 THR A N   1 
ATOM   29  C  CA  . THR A 1 12 ? 2.825   22.512 16.919 1.00 42.69  ? 507 THR A CA  1 
ATOM   30  C  C   . THR A 1 12 ? 4.159   21.806 17.107 1.00 51.04  ? 507 THR A C   1 
ATOM   31  O  O   . THR A 1 12 ? 4.436   21.297 18.198 1.00 59.36  ? 507 THR A O   1 
ATOM   32  C  CB  . THR A 1 12 ? 1.671   21.626 17.400 1.00 42.12  ? 507 THR A CB  1 
ATOM   33  O  OG1 . THR A 1 12 ? 1.841   21.332 18.791 1.00 48.97  ? 507 THR A OG1 1 
ATOM   34  C  CG2 . THR A 1 12 ? 1.622   20.327 16.621 1.00 37.12  ? 507 THR A CG2 1 
ATOM   35  N  N   . LEU A 1 13 ? 4.984   21.767 16.061 1.00 54.96  ? 508 LEU A N   1 
ATOM   36  C  CA  . LEU A 1 13 ? 6.331   21.214 16.125 1.00 53.99  ? 508 LEU A CA  1 
ATOM   37  C  C   . LEU A 1 13 ? 7.393   22.299 15.985 1.00 49.13  ? 508 LEU A C   1 
ATOM   38  O  O   . LEU A 1 13 ? 8.237   22.466 16.872 1.00 56.09  ? 508 LEU A O   1 
ATOM   39  C  CB  . LEU A 1 13 ? 6.521   20.148 15.039 1.00 56.55  ? 508 LEU A CB  1 
ATOM   40  C  CG  . LEU A 1 13 ? 5.549   18.967 15.055 1.00 57.12  ? 508 LEU A CG  1 
ATOM   41  C  CD1 . LEU A 1 13 ? 5.917   17.941 13.993 1.00 52.32  ? 508 LEU A CD1 1 
ATOM   42  C  CD2 . LEU A 1 13 ? 5.500   18.332 16.434 1.00 45.56  ? 508 LEU A CD2 1 
ATOM   43  N  N   . CYS A 1 14 ? 7.384   23.040 14.879 1.00 51.34  ? 509 CYS A N   1 
ATOM   44  C  CA  . CYS A 1 14 ? 8.375   24.083 14.652 1.00 53.51  ? 509 CYS A CA  1 
ATOM   45  C  C   . CYS A 1 14 ? 7.880   25.469 15.045 1.00 48.47  ? 509 CYS A C   1 
ATOM   46  O  O   . CYS A 1 14 ? 8.696   26.390 15.165 1.00 52.40  ? 509 CYS A O   1 
ATOM   47  C  CB  . CYS A 1 14 ? 8.800   24.090 13.179 1.00 36.56  ? 509 CYS A CB  1 
ATOM   48  S  SG  . CYS A 1 14 ? 7.685   24.994 12.087 1.00 57.83  ? 509 CYS A SG  1 
ATOM   49  N  N   . HIS A 1 15 ? 6.572   25.634 15.239 1.00 47.47  ? 510 HIS A N   1 
ATOM   50  C  CA  . HIS A 1 15 ? 5.976   26.883 15.722 1.00 53.19  ? 510 HIS A CA  1 
ATOM   51  C  C   . HIS A 1 15 ? 6.148   28.017 14.717 1.00 56.25  ? 510 HIS A C   1 
ATOM   52  O  O   . HIS A 1 15 ? 6.338   29.179 15.082 1.00 54.00  ? 510 HIS A O   1 
ATOM   53  C  CB  . HIS A 1 15 ? 6.522   27.265 17.099 1.00 46.17  ? 510 HIS A CB  1 
ATOM   54  C  CG  . HIS A 1 15 ? 6.244   26.236 18.147 1.00 45.57  ? 510 HIS A CG  1 
ATOM   55  N  ND1 . HIS A 1 15 ? 5.043   26.163 18.823 1.00 38.44  ? 510 HIS A ND1 1 
ATOM   56  C  CD2 . HIS A 1 15 ? 7.000   25.213 18.610 1.00 43.50  ? 510 HIS A CD2 1 
ATOM   57  C  CE1 . HIS A 1 15 ? 5.081   25.155 19.677 1.00 40.76  ? 510 HIS A CE1 1 
ATOM   58  N  NE2 . HIS A 1 15 ? 6.257   24.560 19.564 1.00 43.24  ? 510 HIS A NE2 1 
ATOM   59  N  N   . GLU A 1 16 ? 6.062   27.677 13.436 1.00 57.13  ? 511 GLU A N   1 
ATOM   60  C  CA  . GLU A 1 16 ? 5.990   28.670 12.378 1.00 58.18  ? 511 GLU A CA  1 
ATOM   61  C  C   . GLU A 1 16 ? 4.528   29.017 12.129 1.00 57.64  ? 511 GLU A C   1 
ATOM   62  O  O   . GLU A 1 16 ? 3.663   28.137 12.157 1.00 58.78  ? 511 GLU A O   1 
ATOM   63  C  CB  . GLU A 1 16 ? 6.645   28.130 11.105 1.00 59.71  ? 511 GLU A CB  1 
ATOM   64  C  CG  . GLU A 1 16 ? 5.853   28.367 9.840  1.00 62.71  ? 511 GLU A CG  1 
ATOM   65  C  CD  . GLU A 1 16 ? 6.493   29.408 8.945  1.00 72.49  ? 511 GLU A CD  1 
ATOM   66  O  OE1 . GLU A 1 16 ? 7.658   29.781 9.207  1.00 59.03  ? 511 GLU A OE1 1 
ATOM   67  O  OE2 . GLU A 1 16 ? 5.833   29.853 7.981  1.00 77.20  ? 511 GLU A OE2 1 
ATOM   68  N  N   . ARG A 1 17 ? 4.250   30.303 11.915 1.00 57.03  ? 512 ARG A N   1 
ATOM   69  C  CA  . ARG A 1 17 ? 2.873   30.730 11.698 1.00 64.01  ? 512 ARG A CA  1 
ATOM   70  C  C   . ARG A 1 17 ? 2.335   30.136 10.401 1.00 59.79  ? 512 ARG A C   1 
ATOM   71  O  O   . ARG A 1 17 ? 3.082   29.852 9.462  1.00 59.52  ? 512 ARG A O   1 
ATOM   72  C  CB  . ARG A 1 17 ? 2.769   32.259 11.677 1.00 59.85  ? 512 ARG A CB  1 
ATOM   73  C  CG  . ARG A 1 17 ? 3.262   32.947 12.959 1.00 64.74  ? 512 ARG A CG  1 
ATOM   74  C  CD  . ARG A 1 17 ? 2.589   32.395 14.226 1.00 60.44  ? 512 ARG A CD  1 
ATOM   75  N  NE  . ARG A 1 17 ? 1.130   32.432 14.167 1.00 69.78  ? 512 ARG A NE  1 
ATOM   76  C  CZ  . ARG A 1 17 ? 0.331   32.237 15.209 1.00 72.15  ? 512 ARG A CZ  1 
ATOM   77  N  NH1 . ARG A 1 17 ? 0.816   32.032 16.425 1.00 71.27  ? 512 ARG A NH1 1 
ATOM   78  N  NH2 . ARG A 1 17 ? -0.988  32.247 15.028 1.00 64.72  ? 512 ARG A NH2 1 
ATOM   79  N  N   . LEU A 1 18 ? 1.023   29.924 10.371 1.00 60.38  ? 513 LEU A N   1 
ATOM   80  C  CA  . LEU A 1 18 ? 0.326   29.275 9.265  1.00 57.69  ? 513 LEU A CA  1 
ATOM   81  C  C   . LEU A 1 18 ? -0.826  30.145 8.786  1.00 58.95  ? 513 LEU A C   1 
ATOM   82  O  O   . LEU A 1 18 ? -1.866  29.647 8.346  1.00 59.78  ? 513 LEU A O   1 
ATOM   83  C  CB  . LEU A 1 18 ? -0.179  27.892 9.684  1.00 47.52  ? 513 LEU A CB  1 
ATOM   84  C  CG  . LEU A 1 18 ? 0.824   27.030 10.455 1.00 51.71  ? 513 LEU A CG  1 
ATOM   85  C  CD1 . LEU A 1 18 ? 0.166   25.763 10.977 1.00 40.70  ? 513 LEU A CD1 1 
ATOM   86  C  CD2 . LEU A 1 18 ? 2.042   26.699 9.590  1.00 54.19  ? 513 LEU A CD2 1 
ATOM   87  N  N   . GLU A 1 19 ? -0.657  31.466 8.872  1.00 67.06  ? 514 GLU A N   1 
ATOM   88  C  CA  . GLU A 1 19 ? -1.746  32.387 8.578  1.00 75.40  ? 514 GLU A CA  1 
ATOM   89  C  C   . GLU A 1 19 ? -1.936  32.638 7.088  1.00 71.41  ? 514 GLU A C   1 
ATOM   90  O  O   . GLU A 1 19 ? -3.046  32.995 6.676  1.00 85.46  ? 514 GLU A O   1 
ATOM   91  C  CB  . GLU A 1 19 ? -1.514  33.722 9.295  1.00 77.17  ? 514 GLU A CB  1 
ATOM   92  N  N   . ASP A 1 20 ? -0.897  32.451 6.271  1.00 65.79  ? 515 ASP A N   1 
ATOM   93  C  CA  . ASP A 1 20 ? -0.950  32.808 4.857  1.00 70.95  ? 515 ASP A CA  1 
ATOM   94  C  C   . ASP A 1 20 ? -0.668  31.633 3.928  1.00 60.25  ? 515 ASP A C   1 
ATOM   95  O  O   . ASP A 1 20 ? -0.425  31.849 2.734  1.00 59.54  ? 515 ASP A O   1 
ATOM   96  C  CB  . ASP A 1 20 ? 0.047   33.931 4.561  1.00 76.06  ? 515 ASP A CB  1 
ATOM   97  C  CG  . ASP A 1 20 ? 1.499   33.463 4.626  1.00 81.97  ? 515 ASP A CG  1 
ATOM   98  O  OD1 . ASP A 1 20 ? 1.802   32.574 5.456  1.00 82.07  ? 515 ASP A OD1 1 
ATOM   99  O  OD2 . ASP A 1 20 ? 2.334   33.976 3.848  1.00 78.42  ? 515 ASP A OD2 1 
ATOM   100 N  N   . THR A 1 21 ? -0.691  30.400 4.430  1.00 56.36  ? 516 THR A N   1 
ATOM   101 C  CA  . THR A 1 21 ? -0.243  29.247 3.663  1.00 58.28  ? 516 THR A CA  1 
ATOM   102 C  C   . THR A 1 21 ? -1.140  28.060 3.992  1.00 50.64  ? 516 THR A C   1 
ATOM   103 O  O   . THR A 1 21 ? -2.165  28.188 4.669  1.00 45.57  ? 516 THR A O   1 
ATOM   104 C  CB  . THR A 1 21 ? 1.234   28.942 3.964  1.00 53.89  ? 516 THR A CB  1 
ATOM   105 O  OG1 . THR A 1 21 ? 1.952   30.173 4.078  1.00 67.41  ? 516 THR A OG1 1 
ATOM   106 C  CG2 . THR A 1 21 ? 1.884   28.107 2.862  1.00 39.29  ? 516 THR A CG2 1 
ATOM   107 N  N   . HIS A 1 22 ? -0.718  26.905 3.506  1.00 45.46  ? 517 HIS A N   1 
ATOM   108 C  CA  . HIS A 1 22 ? -1.486  25.673 3.741  1.00 46.95  ? 517 HIS A CA  1 
ATOM   109 C  C   . HIS A 1 22 ? -0.788  24.893 4.841  1.00 42.44  ? 517 HIS A C   1 
ATOM   110 O  O   . HIS A 1 22 ? 0.383   25.148 5.160  1.00 36.35  ? 517 HIS A O   1 
ATOM   111 C  CB  . HIS A 1 22 ? -1.507  24.831 2.469  1.00 38.39  ? 517 HIS A CB  1 
ATOM   112 C  CG  . HIS A 1 22 ? -0.177  24.656 1.818  1.00 47.21  ? 517 HIS A CG  1 
ATOM   113 N  ND1 . HIS A 1 22 ? -0.029  24.464 0.462  1.00 52.37  ? 517 HIS A ND1 1 
ATOM   114 C  CD2 . HIS A 1 22 ? 1.056   24.639 2.332  1.00 48.75  ? 517 HIS A CD2 1 
ATOM   115 C  CE1 . HIS A 1 22 ? 1.258   24.335 0.182  1.00 51.75  ? 517 HIS A CE1 1 
ATOM   116 N  NE2 . HIS A 1 22 ? 1.935   24.439 1.304  1.00 54.78  ? 517 HIS A NE2 1 
ATOM   117 N  N   . PHE A 1 23 ? -1.505  23.927 5.380  1.00 40.82  ? 518 PHE A N   1 
ATOM   118 C  CA  . PHE A 1 23 ? -0.931  23.118 6.440  1.00 43.30  ? 518 PHE A CA  1 
ATOM   119 C  C   . PHE A 1 23 ? -1.715  21.822 6.546  1.00 42.78  ? 518 PHE A C   1 
ATOM   120 O  O   . PHE A 1 23 ? -2.711  21.611 5.852  1.00 46.60  ? 518 PHE A O   1 
ATOM   121 C  CB  . PHE A 1 23 ? -0.915  23.873 7.774  1.00 40.06  ? 518 PHE A CB  1 
ATOM   122 C  CG  . PHE A 1 23 ? -2.257  24.408 8.199  1.00 45.42  ? 518 PHE A CG  1 
ATOM   123 C  CD1 . PHE A 1 23 ? -2.737  25.609 7.697  1.00 44.13  ? 518 PHE A CD1 1 
ATOM   124 C  CD2 . PHE A 1 23 ? -3.021  23.723 9.126  1.00 42.02  ? 518 PHE A CD2 1 
ATOM   125 C  CE1 . PHE A 1 23 ? -3.968  26.104 8.099  1.00 46.99  ? 518 PHE A CE1 1 
ATOM   126 C  CE2 . PHE A 1 23 ? -4.246  24.215 9.536  1.00 44.64  ? 518 PHE A CE2 1 
ATOM   127 C  CZ  . PHE A 1 23 ? -4.721  25.406 9.022  1.00 45.09  ? 518 PHE A CZ  1 
ATOM   128 N  N   . VAL A 1 24 ? -1.237  20.949 7.418  1.00 41.47  ? 519 VAL A N   1 
ATOM   129 C  CA  . VAL A 1 24 ? -1.919  19.701 7.723  1.00 42.72  ? 519 VAL A CA  1 
ATOM   130 C  C   . VAL A 1 24 ? -2.654  19.862 9.045  1.00 40.69  ? 519 VAL A C   1 
ATOM   131 O  O   . VAL A 1 24 ? -2.072  20.308 10.039 1.00 42.49  ? 519 VAL A O   1 
ATOM   132 C  CB  . VAL A 1 24 ? -0.923  18.531 7.770  1.00 43.98  ? 519 VAL A CB  1 
ATOM   133 C  CG1 . VAL A 1 24 ? -1.604  17.277 8.291  1.00 43.03  ? 519 VAL A CG1 1 
ATOM   134 C  CG2 . VAL A 1 24 ? -0.345  18.287 6.385  1.00 54.34  ? 519 VAL A CG2 1 
ATOM   135 N  N   . GLN A 1 25 ? -3.937  19.512 9.054  1.00 41.50  ? 520 GLN A N   1 
ATOM   136 C  CA  . GLN A 1 25 ? -4.778  19.601 10.241 1.00 39.84  ? 520 GLN A CA  1 
ATOM   137 C  C   . GLN A 1 25 ? -5.236  18.207 10.640 1.00 37.16  ? 520 GLN A C   1 
ATOM   138 O  O   . GLN A 1 25 ? -5.958  17.546 9.883  1.00 40.55  ? 520 GLN A O   1 
ATOM   139 C  CB  . GLN A 1 25 ? -5.989  20.504 10.005 1.00 41.76  ? 520 GLN A CB  1 
ATOM   140 C  CG  . GLN A 1 25 ? -7.034  20.411 11.114 1.00 40.88  ? 520 GLN A CG  1 
ATOM   141 C  CD  . GLN A 1 25 ? -6.557  21.011 12.429 1.00 40.97  ? 520 GLN A CD  1 
ATOM   142 O  OE1 . GLN A 1 25 ? -6.404  22.227 12.547 1.00 34.08  ? 520 GLN A OE1 1 
ATOM   143 N  NE2 . GLN A 1 25 ? -6.329  20.159 13.427 1.00 36.89  ? 520 GLN A NE2 1 
ATOM   144 N  N   . CYS A 1 26 ? -4.809  17.769 11.820 1.00 42.00  ? 521 CYS A N   1 
ATOM   145 C  CA  . CYS A 1 26 ? -5.280  16.516 12.397 1.00 46.43  ? 521 CYS A CA  1 
ATOM   146 C  C   . CYS A 1 26 ? -6.805  16.542 12.507 1.00 45.75  ? 521 CYS A C   1 
ATOM   147 O  O   . CYS A 1 26 ? -7.366  17.524 13.014 1.00 39.64  ? 521 CYS A O   1 
ATOM   148 C  CB  . CYS A 1 26 ? -4.635  16.333 13.771 1.00 48.52  ? 521 CYS A CB  1 
ATOM   149 S  SG  . CYS A 1 26 ? -5.096  14.893 14.767 1.00 51.01  ? 521 CYS A SG  1 
ATOM   150 N  N   . PRO A 1 27 ? -7.510  15.516 12.015 1.00 50.83  ? 522 PRO A N   1 
ATOM   151 C  CA  . PRO A 1 27 ? -8.981  15.569 12.048 1.00 50.61  ? 522 PRO A CA  1 
ATOM   152 C  C   . PRO A 1 27 ? -9.563  15.491 13.452 1.00 60.10  ? 522 PRO A C   1 
ATOM   153 O  O   . PRO A 1 27 ? -10.694 15.947 13.664 1.00 63.71  ? 522 PRO A O   1 
ATOM   154 C  CB  . PRO A 1 27 ? -9.399  14.358 11.199 1.00 53.43  ? 522 PRO A CB  1 
ATOM   155 C  CG  . PRO A 1 27 ? -8.192  14.044 10.347 1.00 56.01  ? 522 PRO A CG  1 
ATOM   156 C  CD  . PRO A 1 27 ? -7.022  14.359 11.247 1.00 48.63  ? 522 PRO A CD  1 
ATOM   157 N  N   . SER A 1 28 ? -8.832  14.942 14.421 1.00 56.38  ? 523 SER A N   1 
ATOM   158 C  CA  . SER A 1 28 ? -9.343  14.796 15.780 1.00 57.61  ? 523 SER A CA  1 
ATOM   159 C  C   . SER A 1 28 ? -8.874  15.918 16.703 1.00 60.44  ? 523 SER A C   1 
ATOM   160 O  O   . SER A 1 28 ? -9.705  16.621 17.286 1.00 61.15  ? 523 SER A O   1 
ATOM   161 C  CB  . SER A 1 28 ? -8.953  13.426 16.354 1.00 58.01  ? 523 SER A CB  1 
ATOM   162 O  OG  . SER A 1 28 ? -7.794  12.908 15.733 1.00 60.10  ? 523 SER A OG  1 
ATOM   163 N  N   . VAL A 1 29 ? -7.567  16.096 16.857 1.00 57.85  ? 524 VAL A N   1 
ATOM   164 C  CA  . VAL A 1 29 ? -7.012  17.065 17.806 1.00 49.54  ? 524 VAL A CA  1 
ATOM   165 C  C   . VAL A 1 29 ? -6.887  18.404 17.089 1.00 51.41  ? 524 VAL A C   1 
ATOM   166 O  O   . VAL A 1 29 ? -6.074  18.521 16.154 1.00 54.06  ? 524 VAL A O   1 
ATOM   167 C  CB  . VAL A 1 29 ? -5.657  16.603 18.357 1.00 51.90  ? 524 VAL A CB  1 
ATOM   168 C  CG1 . VAL A 1 29 ? -5.126  17.613 19.365 1.00 43.88  ? 524 VAL A CG1 1 
ATOM   169 C  CG2 . VAL A 1 29 ? -5.772  15.221 18.979 1.00 53.62  ? 524 VAL A CG2 1 
ATOM   170 N  N   . PRO A 1 30 ? -7.654  19.431 17.478 1.00 42.46  ? 525 PRO A N   1 
ATOM   171 C  CA  . PRO A 1 30 ? -7.540  20.723 16.780 1.00 43.91  ? 525 PRO A CA  1 
ATOM   172 C  C   . PRO A 1 30 ? -6.174  21.377 16.902 1.00 50.11  ? 525 PRO A C   1 
ATOM   173 O  O   . PRO A 1 30 ? -5.713  22.000 15.936 1.00 51.56  ? 525 PRO A O   1 
ATOM   174 C  CB  . PRO A 1 30 ? -8.640  21.572 17.440 1.00 50.08  ? 525 PRO A CB  1 
ATOM   175 C  CG  . PRO A 1 30 ? -9.631  20.578 17.938 1.00 49.46  ? 525 PRO A CG  1 
ATOM   176 C  CD  . PRO A 1 30 ? -8.815  19.395 18.388 1.00 47.08  ? 525 PRO A CD  1 
ATOM   177 N  N   . SER A 1 31 ? -5.506  21.263 18.053 1.00 46.18  ? 526 SER A N   1 
ATOM   178 C  CA  . SER A 1 31 ? -4.215  21.921 18.222 1.00 35.91  ? 526 SER A CA  1 
ATOM   179 C  C   . SER A 1 31 ? -3.069  21.178 17.536 1.00 41.55  ? 526 SER A C   1 
ATOM   180 O  O   . SER A 1 31 ? -1.911  21.595 17.674 1.00 48.50  ? 526 SER A O   1 
ATOM   181 C  CB  . SER A 1 31 ? -3.914  22.115 19.715 1.00 41.87  ? 526 SER A CB  1 
ATOM   182 O  OG  . SER A 1 31 ? -3.970  20.886 20.420 1.00 42.09  ? 526 SER A OG  1 
ATOM   183 N  N   . HIS A 1 32 ? -3.354  20.111 16.782 1.00 39.48  ? 527 HIS A N   1 
ATOM   184 C  CA  . HIS A 1 32 ? -2.336  19.432 15.977 1.00 41.27  ? 527 HIS A CA  1 
ATOM   185 C  C   . HIS A 1 32 ? -2.325  20.035 14.570 1.00 39.91  ? 527 HIS A C   1 
ATOM   186 O  O   . HIS A 1 32 ? -2.871  19.476 13.614 1.00 33.33  ? 527 HIS A O   1 
ATOM   187 C  CB  . HIS A 1 32 ? -2.603  17.931 15.912 1.00 43.88  ? 527 HIS A CB  1 
ATOM   188 C  CG  . HIS A 1 32 ? -2.231  17.163 17.139 1.00 46.34  ? 527 HIS A CG  1 
ATOM   189 N  ND1 . HIS A 1 32 ? -2.661  15.870 17.354 1.00 56.91  ? 527 HIS A ND1 1 
ATOM   190 C  CD2 . HIS A 1 32 ? -1.463  17.487 18.205 1.00 50.84  ? 527 HIS A CD2 1 
ATOM   191 C  CE1 . HIS A 1 32 ? -2.193  15.440 18.513 1.00 57.68  ? 527 HIS A CE1 1 
ATOM   192 N  NE2 . HIS A 1 32 ? -1.461  16.401 19.048 1.00 48.63  ? 527 HIS A NE2 1 
ATOM   193 N  N   . LYS A 1 33 ? -1.683  21.194 14.445 1.00 38.85  ? 528 LYS A N   1 
ATOM   194 C  CA  . LYS A 1 33 ? -1.383  21.792 13.149 1.00 39.16  ? 528 LYS A CA  1 
ATOM   195 C  C   . LYS A 1 33 ? 0.098   21.626 12.828 1.00 47.14  ? 528 LYS A C   1 
ATOM   196 O  O   . LYS A 1 33 ? 0.951   21.723 13.717 1.00 38.66  ? 528 LYS A O   1 
ATOM   197 C  CB  . LYS A 1 33 ? -1.758  23.277 13.119 1.00 35.19  ? 528 LYS A CB  1 
ATOM   198 C  CG  . LYS A 1 33 ? -3.257  23.505 13.109 1.00 41.42  ? 528 LYS A CG  1 
ATOM   199 C  CD  . LYS A 1 33 ? -3.600  24.971 13.177 1.00 43.19  ? 528 LYS A CD  1 
ATOM   200 C  CE  . LYS A 1 33 ? -4.693  25.190 14.201 1.00 52.88  ? 528 LYS A CE  1 
ATOM   201 N  NZ  . LYS A 1 33 ? -5.847  24.290 13.951 1.00 46.91  ? 528 LYS A NZ  1 
ATOM   202 N  N   . PHE A 1 34 ? 0.397   21.373 11.554 1.00 40.46  ? 529 PHE A N   1 
ATOM   203 C  CA  . PHE A 1 34 ? 1.753   21.086 11.106 1.00 42.95  ? 529 PHE A CA  1 
ATOM   204 C  C   . PHE A 1 34 ? 2.011   21.778 9.778  1.00 47.68  ? 529 PHE A C   1 
ATOM   205 O  O   . PHE A 1 34 ? 1.198   21.673 8.858  1.00 35.52  ? 529 PHE A O   1 
ATOM   206 C  CB  . PHE A 1 34 ? 1.991   19.576 10.950 1.00 43.66  ? 529 PHE A CB  1 
ATOM   207 C  CG  . PHE A 1 34 ? 1.435   18.738 12.070 1.00 48.87  ? 529 PHE A CG  1 
ATOM   208 C  CD1 . PHE A 1 34 ? 2.148   18.571 13.248 1.00 48.73  ? 529 PHE A CD1 1 
ATOM   209 C  CD2 . PHE A 1 34 ? 0.207   18.110 11.934 1.00 42.40  ? 529 PHE A CD2 1 
ATOM   210 C  CE1 . PHE A 1 34 ? 1.638   17.794 14.279 1.00 50.60  ? 529 PHE A CE1 1 
ATOM   211 C  CE2 . PHE A 1 34 ? -0.308  17.333 12.958 1.00 44.50  ? 529 PHE A CE2 1 
ATOM   212 C  CZ  . PHE A 1 34 ? 0.410   17.177 14.134 1.00 57.59  ? 529 PHE A CZ  1 
ATOM   213 N  N   . CYS A 1 35 ? 3.142   22.471 9.673  1.00 42.36  ? 530 CYS A N   1 
ATOM   214 C  CA  . CYS A 1 35 ? 3.525   23.041 8.394  1.00 48.42  ? 530 CYS A CA  1 
ATOM   215 C  C   . CYS A 1 35 ? 3.892   21.928 7.417  1.00 43.03  ? 530 CYS A C   1 
ATOM   216 O  O   . CYS A 1 35 ? 4.106   20.773 7.794  1.00 39.82  ? 530 CYS A O   1 
ATOM   217 C  CB  . CYS A 1 35 ? 4.699   24.005 8.555  1.00 52.61  ? 530 CYS A CB  1 
ATOM   218 S  SG  . CYS A 1 35 ? 6.189   23.224 9.200  1.00 55.40  ? 530 CYS A SG  1 
ATOM   219 N  N   . PHE A 1 36 ? 3.964   22.281 6.137  1.00 46.53  ? 531 PHE A N   1 
ATOM   220 C  CA  . PHE A 1 36 ? 4.325   21.266 5.149  1.00 59.81  ? 531 PHE A CA  1 
ATOM   221 C  C   . PHE A 1 36 ? 5.718   20.691 5.385  1.00 55.43  ? 531 PHE A C   1 
ATOM   222 O  O   . PHE A 1 36 ? 5.863   19.457 5.338  1.00 57.21  ? 531 PHE A O   1 
ATOM   223 C  CB  . PHE A 1 36 ? 4.153   21.827 3.736  1.00 48.89  ? 531 PHE A CB  1 
ATOM   224 C  CG  . PHE A 1 36 ? 2.812   21.517 3.139  1.00 54.12  ? 531 PHE A CG  1 
ATOM   225 C  CD1 . PHE A 1 36 ? 1.659   21.737 3.870  1.00 57.66  ? 531 PHE A CD1 1 
ATOM   226 C  CD2 . PHE A 1 36 ? 2.704   20.991 1.864  1.00 61.14  ? 531 PHE A CD2 1 
ATOM   227 C  CE1 . PHE A 1 36 ? 0.421   21.448 3.343  1.00 55.20  ? 531 PHE A CE1 1 
ATOM   228 C  CE2 . PHE A 1 36 ? 1.464   20.704 1.325  1.00 59.53  ? 531 PHE A CE2 1 
ATOM   229 C  CZ  . PHE A 1 36 ? 0.323   20.934 2.066  1.00 65.10  ? 531 PHE A CZ  1 
ATOM   230 N  N   . PRO A 1 37 ? 6.762   21.488 5.660  1.00 58.93  ? 532 PRO A N   1 
ATOM   231 C  CA  . PRO A 1 37 ? 8.063   20.874 5.987  1.00 57.04  ? 532 PRO A CA  1 
ATOM   232 C  C   . PRO A 1 37 ? 7.998   19.871 7.123  1.00 55.78  ? 532 PRO A C   1 
ATOM   233 O  O   . PRO A 1 37 ? 8.551   18.774 6.993  1.00 58.32  ? 532 PRO A O   1 
ATOM   234 C  CB  . PRO A 1 37 ? 8.929   22.091 6.332  1.00 48.94  ? 532 PRO A CB  1 
ATOM   235 C  CG  . PRO A 1 37 ? 8.386   23.157 5.477  1.00 58.85  ? 532 PRO A CG  1 
ATOM   236 C  CD  . PRO A 1 37 ? 6.892   22.950 5.497  1.00 58.17  ? 532 PRO A CD  1 
ATOM   237 N  N   . CYS A 1 38 ? 7.324   20.203 8.229  1.00 57.18  ? 533 CYS A N   1 
ATOM   238 C  CA  . CYS A 1 38 ? 7.222   19.252 9.333  1.00 59.05  ? 533 CYS A CA  1 
ATOM   239 C  C   . CYS A 1 38 ? 6.432   18.010 8.926  1.00 57.85  ? 533 CYS A C   1 
ATOM   240 O  O   . CYS A 1 38 ? 6.759   16.894 9.347  1.00 57.55  ? 533 CYS A O   1 
ATOM   241 C  CB  . CYS A 1 38 ? 6.589   19.917 10.561 1.00 63.76  ? 533 CYS A CB  1 
ATOM   242 S  SG  . CYS A 1 38 ? 7.703   20.961 11.571 1.00 63.65  ? 533 CYS A SG  1 
ATOM   243 N  N   . SER A 1 39 ? 5.382   18.179 8.115  1.00 63.55  ? 534 SER A N   1 
ATOM   244 C  CA  . SER A 1 39 ? 4.655   17.011 7.621  1.00 59.79  ? 534 SER A CA  1 
ATOM   245 C  C   . SER A 1 39 ? 5.532   16.163 6.710  1.00 57.41  ? 534 SER A C   1 
ATOM   246 O  O   . SER A 1 39 ? 5.464   14.930 6.756  1.00 60.89  ? 534 SER A O   1 
ATOM   247 C  CB  . SER A 1 39 ? 3.388   17.448 6.883  1.00 57.44  ? 534 SER A CB  1 
ATOM   248 O  OG  . SER A 1 39 ? 2.559   18.243 7.714  1.00 52.54  ? 534 SER A OG  1 
ATOM   249 N  N   . ARG A 1 40 ? 6.374   16.809 5.899  1.00 62.14  ? 535 ARG A N   1 
ATOM   250 C  CA  . ARG A 1 40 ? 7.275   16.088 5.006  1.00 66.25  ? 535 ARG A CA  1 
ATOM   251 C  C   . ARG A 1 40 ? 8.295   15.263 5.786  1.00 75.64  ? 535 ARG A C   1 
ATOM   252 O  O   . ARG A 1 40 ? 8.679   14.170 5.353  1.00 78.90  ? 535 ARG A O   1 
ATOM   253 C  CB  . ARG A 1 40 ? 7.975   17.090 4.091  1.00 64.69  ? 535 ARG A CB  1 
ATOM   254 C  CG  . ARG A 1 40 ? 8.595   16.501 2.851  1.00 56.76  ? 535 ARG A CG  1 
ATOM   255 C  CD  . ARG A 1 40 ? 8.462   17.468 1.692  1.00 72.16  ? 535 ARG A CD  1 
ATOM   256 N  NE  . ARG A 1 40 ? 8.814   18.834 2.059  1.00 66.25  ? 535 ARG A NE  1 
ATOM   257 C  CZ  . ARG A 1 40 ? 7.940   19.822 2.200  1.00 70.00  ? 535 ARG A CZ  1 
ATOM   258 N  NH1 . ARG A 1 40 ? 6.639   19.623 2.049  1.00 68.87  ? 535 ARG A NH1 1 
ATOM   259 N  NH2 . ARG A 1 40 ? 8.382   21.043 2.494  1.00 77.03  ? 535 ARG A NH2 1 
ATOM   260 N  N   . GLN A 1 41 ? 8.744   15.772 6.940  1.00 79.15  ? 536 GLN A N   1 
ATOM   261 C  CA  . GLN A 1 41 ? 9.717   15.044 7.749  1.00 80.65  ? 536 GLN A CA  1 
ATOM   262 C  C   . GLN A 1 41 ? 9.083   13.834 8.415  1.00 82.36  ? 536 GLN A C   1 
ATOM   263 O  O   . GLN A 1 41 ? 9.744   12.806 8.607  1.00 87.72  ? 536 GLN A O   1 
ATOM   264 C  CB  . GLN A 1 41 ? 10.323  15.969 8.805  1.00 86.92  ? 536 GLN A CB  1 
ATOM   265 C  CG  . GLN A 1 41 ? 11.608  15.453 9.451  1.00 88.74  ? 536 GLN A CG  1 
ATOM   266 C  CD  . GLN A 1 41 ? 12.828  15.648 8.560  1.00 90.72  ? 536 GLN A CD  1 
ATOM   267 O  OE1 . GLN A 1 41 ? 12.722  16.164 7.447  1.00 86.76  ? 536 GLN A OE1 1 
ATOM   268 N  NE2 . GLN A 1 41 ? 13.993  15.236 9.050  1.00 89.53  ? 536 GLN A NE2 1 
ATOM   269 N  N   . SER A 1 42 ? 7.807   13.943 8.792  1.00 75.24  ? 537 SER A N   1 
ATOM   270 C  CA  . SER A 1 42 ? 7.135   12.807 9.411  1.00 76.84  ? 537 SER A CA  1 
ATOM   271 C  C   . SER A 1 42 ? 6.805   11.731 8.388  1.00 74.70  ? 537 SER A C   1 
ATOM   272 O  O   . SER A 1 42 ? 6.873   10.540 8.702  1.00 81.30  ? 537 SER A O   1 
ATOM   273 C  CB  . SER A 1 42 ? 5.865   13.273 10.129 1.00 65.57  ? 537 SER A CB  1 
ATOM   274 O  OG  . SER A 1 42 ? 5.163   12.173 10.682 1.00 57.36  ? 537 SER A OG  1 
ATOM   275 N  N   . ILE A 1 43 ? 6.469   12.129 7.162  1.00 69.99  ? 538 ILE A N   1 
ATOM   276 C  CA  . ILE A 1 43 ? 6.166   11.154 6.120  1.00 75.30  ? 538 ILE A CA  1 
ATOM   277 C  C   . ILE A 1 43 ? 7.416   10.370 5.743  1.00 83.74  ? 538 ILE A C   1 
ATOM   278 O  O   . ILE A 1 43 ? 7.411   9.132  5.735  1.00 82.44  ? 538 ILE A O   1 
ATOM   279 C  CB  . ILE A 1 43 ? 5.554   11.854 4.896  1.00 67.51  ? 538 ILE A CB  1 
ATOM   280 C  CG1 . ILE A 1 43 ? 4.188   12.438 5.252  1.00 65.62  ? 538 ILE A CG1 1 
ATOM   281 C  CG2 . ILE A 1 43 ? 5.461   10.885 3.722  1.00 69.47  ? 538 ILE A CG2 1 
ATOM   282 C  CD1 . ILE A 1 43 ? 3.690   13.453 4.259  1.00 65.29  ? 538 ILE A CD1 1 
ATOM   283 N  N   . LYS A 1 44 ? 8.503   11.079 5.423  1.00 83.93  ? 539 LYS A N   1 
ATOM   284 C  CA  . LYS A 1 44 ? 9.739   10.411 5.028  1.00 79.40  ? 539 LYS A CA  1 
ATOM   285 C  C   . LYS A 1 44 ? 10.235  9.467  6.119  1.00 78.25  ? 539 LYS A C   1 
ATOM   286 O  O   . LYS A 1 44 ? 10.787  8.403  5.820  1.00 79.78  ? 539 LYS A O   1 
ATOM   287 C  CB  . LYS A 1 44 ? 10.811  11.446 4.680  1.00 75.37  ? 539 LYS A CB  1 
ATOM   288 N  N   . GLN A 1 45 ? 10.022  9.819  7.391  1.00 75.04  ? 540 GLN A N   1 
ATOM   289 C  CA  . GLN A 1 45 ? 10.490  8.946  8.463  1.00 73.90  ? 540 GLN A CA  1 
ATOM   290 C  C   . GLN A 1 45 ? 9.525   7.793  8.725  1.00 76.52  ? 540 GLN A C   1 
ATOM   291 O  O   . GLN A 1 45 ? 9.964   6.693  9.073  1.00 84.21  ? 540 GLN A O   1 
ATOM   292 C  CB  . GLN A 1 45 ? 10.730  9.756  9.747  1.00 77.86  ? 540 GLN A CB  1 
ATOM   293 C  CG  . GLN A 1 45 ? 9.589   9.753  10.772 1.00 84.96  ? 540 GLN A CG  1 
ATOM   294 C  CD  . GLN A 1 45 ? 9.607   8.542  11.713 1.00 87.53  ? 540 GLN A CD  1 
ATOM   295 O  OE1 . GLN A 1 45 ? 10.550  7.752  11.715 1.00 90.55  ? 540 GLN A OE1 1 
ATOM   296 N  NE2 . GLN A 1 45 ? 8.552   8.397  12.509 1.00 81.40  ? 540 GLN A NE2 1 
ATOM   297 N  N   . GLN A 1 46 ? 8.215   8.014  8.562  1.00 81.79  ? 541 GLN A N   1 
ATOM   298 C  CA  . GLN A 1 46 ? 7.244   6.982  8.918  1.00 81.76  ? 541 GLN A CA  1 
ATOM   299 C  C   . GLN A 1 46 ? 7.059   5.949  7.815  1.00 85.00  ? 541 GLN A C   1 
ATOM   300 O  O   . GLN A 1 46 ? 6.766   4.784  8.110  1.00 91.61  ? 541 GLN A O   1 
ATOM   301 C  CB  . GLN A 1 46 ? 5.890   7.614  9.256  1.00 78.67  ? 541 GLN A CB  1 
ATOM   302 C  CG  . GLN A 1 46 ? 5.833   8.281  10.610 1.00 68.01  ? 541 GLN A CG  1 
ATOM   303 C  CD  . GLN A 1 46 ? 4.416   8.599  11.022 1.00 71.64  ? 541 GLN A CD  1 
ATOM   304 O  OE1 . GLN A 1 46 ? 3.687   7.730  11.498 1.00 76.54  ? 541 GLN A OE1 1 
ATOM   305 N  NE2 . GLN A 1 46 ? 4.014   9.850  10.836 1.00 62.19  ? 541 GLN A NE2 1 
ATOM   306 N  N   . GLY A 1 47 ? 7.216   6.348  6.556  1.00 75.62  ? 542 GLY A N   1 
ATOM   307 C  CA  . GLY A 1 47 ? 7.056   5.427  5.445  1.00 77.07  ? 542 GLY A CA  1 
ATOM   308 C  C   . GLY A 1 47 ? 6.539   6.084  4.180  1.00 80.54  ? 542 GLY A C   1 
ATOM   309 O  O   . GLY A 1 47 ? 7.234   6.884  3.554  1.00 76.97  ? 542 GLY A O   1 
ATOM   310 N  N   . VAL A 1 52 ? 1.745   6.353  7.480  1.00 69.93  ? 547 VAL A N   1 
ATOM   311 C  CA  . VAL A 1 52 ? 2.036   7.646  8.093  1.00 66.97  ? 547 VAL A CA  1 
ATOM   312 C  C   . VAL A 1 52 ? 0.824   8.158  8.855  1.00 62.59  ? 547 VAL A C   1 
ATOM   313 O  O   . VAL A 1 52 ? -0.170  8.573  8.259  1.00 58.10  ? 547 VAL A O   1 
ATOM   314 C  CB  . VAL A 1 52 ? 2.484   8.671  7.039  1.00 58.21  ? 547 VAL A CB  1 
ATOM   315 C  CG1 . VAL A 1 52 ? 3.013   9.927  7.715  1.00 65.68  ? 547 VAL A CG1 1 
ATOM   316 C  CG2 . VAL A 1 52 ? 3.533   8.069  6.128  1.00 62.60  ? 547 VAL A CG2 1 
ATOM   317 N  N   . TYR A 1 53 ? 0.903   8.129  10.179 1.00 61.68  ? 548 TYR A N   1 
ATOM   318 C  CA  . TYR A 1 53 ? -0.172  8.601  11.033 1.00 59.90  ? 548 TYR A CA  1 
ATOM   319 C  C   . TYR A 1 53 ? 0.104   10.054 11.427 1.00 57.66  ? 548 TYR A C   1 
ATOM   320 O  O   . TYR A 1 53 ? 0.928   10.739 10.811 1.00 55.46  ? 548 TYR A O   1 
ATOM   321 C  CB  . TYR A 1 53 ? -0.323  7.674  12.239 1.00 61.98  ? 548 TYR A CB  1 
ATOM   322 N  N   . CYS A 1 54 ? -0.593  10.533 12.457 1.00 53.20  ? 549 CYS A N   1 
ATOM   323 C  CA  . CYS A 1 54 ? -0.545  11.947 12.806 1.00 54.63  ? 549 CYS A CA  1 
ATOM   324 C  C   . CYS A 1 54 ? 0.879   12.371 13.149 1.00 62.88  ? 549 CYS A C   1 
ATOM   325 O  O   . CYS A 1 54 ? 1.525   11.729 13.990 1.00 64.04  ? 549 CYS A O   1 
ATOM   326 C  CB  . CYS A 1 54 ? -1.472  12.245 13.980 1.00 50.21  ? 549 CYS A CB  1 
ATOM   327 S  SG  . CYS A 1 54 ? -1.404  13.970 14.480 1.00 53.32  ? 549 CYS A SG  1 
ATOM   328 N  N   . PRO A 1 55 ? 1.404   13.440 12.537 1.00 55.88  ? 550 PRO A N   1 
ATOM   329 C  CA  . PRO A 1 55 ? 2.789   13.842 12.832 1.00 54.96  ? 550 PRO A CA  1 
ATOM   330 C  C   . PRO A 1 55 ? 3.025   14.141 14.294 1.00 59.34  ? 550 PRO A C   1 
ATOM   331 O  O   . PRO A 1 55 ? 4.184   14.172 14.718 1.00 68.89  ? 550 PRO A O   1 
ATOM   332 C  CB  . PRO A 1 55 ? 2.993   15.092 11.964 1.00 48.84  ? 550 PRO A CB  1 
ATOM   333 C  CG  . PRO A 1 55 ? 1.983   14.962 10.876 1.00 50.13  ? 550 PRO A CG  1 
ATOM   334 C  CD  . PRO A 1 55 ? 0.788   14.319 11.529 1.00 50.25  ? 550 PRO A CD  1 
ATOM   335 N  N   . SER A 1 56 ? 1.969   14.342 15.087 1.00 62.57  ? 551 SER A N   1 
ATOM   336 C  CA  . SER A 1 56 ? 2.159   14.495 16.524 1.00 58.70  ? 551 SER A CA  1 
ATOM   337 C  C   . SER A 1 56 ? 2.713   13.224 17.152 1.00 70.47  ? 551 SER A C   1 
ATOM   338 O  O   . SER A 1 56 ? 3.362   13.286 18.202 1.00 72.36  ? 551 SER A O   1 
ATOM   339 C  CB  . SER A 1 56 ? 0.848   14.886 17.204 1.00 59.71  ? 551 SER A CB  1 
ATOM   340 O  OG  . SER A 1 56 ? 1.085   15.485 18.475 1.00 66.77  ? 551 SER A OG  1 
ATOM   341 N  N   . GLY A 1 57 ? 2.484   12.070 16.526 1.00 68.23  ? 552 GLY A N   1 
ATOM   342 C  CA  . GLY A 1 57 ? 2.913   10.806 17.079 1.00 59.15  ? 552 GLY A CA  1 
ATOM   343 C  C   . GLY A 1 57 ? 1.927   10.172 18.028 1.00 62.94  ? 552 GLY A C   1 
ATOM   344 O  O   . GLY A 1 57 ? 2.117   9.011  18.413 1.00 69.50  ? 552 GLY A O   1 
ATOM   345 N  N   . GLU A 1 58 ? 0.879   10.891 18.418 1.00 57.92  ? 553 GLU A N   1 
ATOM   346 C  CA  . GLU A 1 58 ? -0.167  10.339 19.267 1.00 60.35  ? 553 GLU A CA  1 
ATOM   347 C  C   . GLU A 1 58 ? -1.109  9.398  18.516 1.00 72.30  ? 553 GLU A C   1 
ATOM   348 O  O   . GLU A 1 58 ? -2.080  8.937  19.122 1.00 73.43  ? 553 GLU A O   1 
ATOM   349 C  CB  . GLU A 1 58 ? -0.986  11.465 19.904 1.00 58.65  ? 553 GLU A CB  1 
ATOM   350 N  N   . LYS A 1 59 ? -0.854  9.132  17.232 1.00 70.65  ? 554 LYS A N   1 
ATOM   351 C  CA  . LYS A 1 59 ? -1.674  8.258  16.390 1.00 69.70  ? 554 LYS A CA  1 
ATOM   352 C  C   . LYS A 1 59 ? -3.164  8.541  16.586 1.00 74.60  ? 554 LYS A C   1 
ATOM   353 O  O   . LYS A 1 59 ? -3.954  7.683  16.984 1.00 77.01  ? 554 LYS A O   1 
ATOM   354 C  CB  . LYS A 1 59 ? -1.365  6.785  16.652 1.00 69.52  ? 554 LYS A CB  1 
ATOM   355 N  N   . CYS A 1 60 ? -3.535  9.775  16.279 1.00 65.93  ? 555 CYS A N   1 
ATOM   356 C  CA  . CYS A 1 60 ? -4.881  10.242 16.526 1.00 70.37  ? 555 CYS A CA  1 
ATOM   357 C  C   . CYS A 1 60 ? -5.875  9.581  15.567 1.00 71.42  ? 555 CYS A C   1 
ATOM   358 O  O   . CYS A 1 60 ? -5.525  9.215  14.444 1.00 67.70  ? 555 CYS A O   1 
ATOM   359 C  CB  . CYS A 1 60 ? -4.918  11.756 16.396 1.00 71.46  ? 555 CYS A CB  1 
ATOM   360 S  SG  . CYS A 1 60 ? -3.489  12.507 17.204 1.00 65.90  ? 555 CYS A SG  1 
ATOM   361 N  N   . PRO A 1 61 ? -7.122  9.394  16.004 1.00 71.90  ? 556 PRO A N   1 
ATOM   362 C  CA  . PRO A 1 61 ? -8.091  8.640  15.197 1.00 74.86  ? 556 PRO A CA  1 
ATOM   363 C  C   . PRO A 1 61 ? -8.962  9.518  14.315 1.00 77.76  ? 556 PRO A C   1 
ATOM   364 O  O   . PRO A 1 61 ? -8.862  10.748 14.344 1.00 74.59  ? 556 PRO A O   1 
ATOM   365 C  CB  . PRO A 1 61 ? -8.929  7.935  16.263 1.00 80.00  ? 556 PRO A CB  1 
ATOM   366 C  CG  . PRO A 1 61 ? -8.972  8.952  17.373 1.00 83.15  ? 556 PRO A CG  1 
ATOM   367 C  CD  . PRO A 1 61 ? -7.625  9.648  17.365 1.00 76.18  ? 556 PRO A CD  1 
ATOM   368 N  N   . LEU A 1 62 ? -9.837  8.880  13.543 1.00 72.92  ? 557 LEU A N   1 
ATOM   369 C  CA  . LEU A 1 62 ? -10.733 9.556  12.619 1.00 78.00  ? 557 LEU A CA  1 
ATOM   370 C  C   . LEU A 1 62 ? -11.899 10.197 13.368 1.00 75.90  ? 557 LEU A C   1 
ATOM   371 O  O   . LEU A 1 62 ? -12.068 10.029 14.577 1.00 80.68  ? 557 LEU A O   1 
ATOM   372 C  CB  . LEU A 1 62 ? -11.253 8.579  11.572 1.00 79.73  ? 557 LEU A CB  1 
ATOM   373 C  CG  . LEU A 1 62 ? -10.231 8.007  10.589 1.00 73.11  ? 557 LEU A CG  1 
ATOM   374 C  CD1 . LEU A 1 62 ? -10.727 6.687  10.026 1.00 73.23  ? 557 LEU A CD1 1 
ATOM   375 C  CD2 . LEU A 1 62 ? -9.983  9.012  9.479  1.00 62.32  ? 557 LEU A CD2 1 
ATOM   376 N  N   . VAL A 1 63 ? -12.720 10.933 12.625 1.00 76.68  ? 558 VAL A N   1 
ATOM   377 C  CA  . VAL A 1 63 ? -13.891 11.593 13.195 1.00 76.32  ? 558 VAL A CA  1 
ATOM   378 C  C   . VAL A 1 63 ? -15.034 10.600 13.385 1.00 80.43  ? 558 VAL A C   1 
ATOM   379 O  O   . VAL A 1 63 ? -15.286 9.755  12.527 1.00 79.34  ? 558 VAL A O   1 
ATOM   380 C  CB  . VAL A 1 63 ? -14.341 12.777 12.319 1.00 74.58  ? 558 VAL A CB  1 
ATOM   381 C  CG1 . VAL A 1 63 ? -15.716 13.260 12.747 1.00 62.81  ? 558 VAL A CG1 1 
ATOM   382 C  CG2 . VAL A 1 63 ? -13.325 13.912 12.402 1.00 69.82  ? 558 VAL A CG2 1 
ATOM   383 N  N   . SER A 1 65 ? -14.875 7.882  15.216 1.00 84.72  ? 560 SER A N   1 
ATOM   384 C  CA  . SER A 1 65 ? -14.495 6.500  15.490 1.00 88.29  ? 560 SER A CA  1 
ATOM   385 C  C   . SER A 1 65 ? -13.238 6.425  16.361 1.00 90.57  ? 560 SER A C   1 
ATOM   386 O  O   . SER A 1 65 ? -12.934 7.353  17.112 1.00 89.64  ? 560 SER A O   1 
ATOM   387 C  CB  . SER A 1 65 ? -14.268 5.740  14.182 1.00 84.24  ? 560 SER A CB  1 
ATOM   388 O  OG  . SER A 1 65 ? -12.886 5.648  13.882 1.00 82.05  ? 560 SER A OG  1 
ATOM   389 N  N   . ASN A 1 66 ? -12.516 5.306  16.253 1.00 91.72  ? 561 ASN A N   1 
ATOM   390 C  CA  . ASN A 1 66 ? -11.272 5.107  16.983 1.00 88.06  ? 561 ASN A CA  1 
ATOM   391 C  C   . ASN A 1 66 ? -10.110 4.654  16.111 1.00 91.96  ? 561 ASN A C   1 
ATOM   392 O  O   . ASN A 1 66 ? -8.975  4.636  16.599 1.00 102.75 ? 561 ASN A O   1 
ATOM   393 C  CB  . ASN A 1 66 ? -11.466 4.081  18.112 1.00 93.02  ? 561 ASN A CB  1 
ATOM   394 N  N   . VAL A 1 67 ? -10.345 4.293  14.856 1.00 88.72  ? 562 VAL A N   1 
ATOM   395 C  CA  . VAL A 1 67 ? -9.247  3.857  13.984 1.00 86.82  ? 562 VAL A CA  1 
ATOM   396 C  C   . VAL A 1 67 ? -8.341  5.048  13.686 1.00 88.63  ? 562 VAL A C   1 
ATOM   397 O  O   . VAL A 1 67 ? -8.837  6.118  13.291 1.00 88.01  ? 562 VAL A O   1 
ATOM   398 C  CB  . VAL A 1 67 ? -9.799  3.248  12.695 1.00 81.31  ? 562 VAL A CB  1 
ATOM   399 N  N   . PRO A 1 68 ? -7.025  4.919  13.852 1.00 86.82  ? 563 PRO A N   1 
ATOM   400 C  CA  . PRO A 1 68 ? -6.138  6.073  13.645 1.00 80.41  ? 563 PRO A CA  1 
ATOM   401 C  C   . PRO A 1 68 ? -6.108  6.516  12.189 1.00 76.45  ? 563 PRO A C   1 
ATOM   402 O  O   . PRO A 1 68 ? -6.087  5.696  11.269 1.00 82.50  ? 563 PRO A O   1 
ATOM   403 C  CB  . PRO A 1 68 ? -4.769  5.550  14.098 1.00 82.41  ? 563 PRO A CB  1 
ATOM   404 C  CG  . PRO A 1 68 ? -4.869  4.062  13.960 1.00 84.63  ? 563 PRO A CG  1 
ATOM   405 C  CD  . PRO A 1 68 ? -6.289  3.725  14.303 1.00 87.52  ? 563 PRO A CD  1 
ATOM   406 N  N   . TRP A 1 69 ? -6.107  7.831  11.987 1.00 75.58  ? 564 TRP A N   1 
ATOM   407 C  CA  . TRP A 1 69 ? -6.097  8.359  10.634 1.00 61.13  ? 564 TRP A CA  1 
ATOM   408 C  C   . TRP A 1 69 ? -4.694  8.302  10.051 1.00 56.65  ? 564 TRP A C   1 
ATOM   409 O  O   . TRP A 1 69 ? -3.694  8.330  10.766 1.00 61.51  ? 564 TRP A O   1 
ATOM   410 C  CB  . TRP A 1 69 ? -6.632  9.794  10.595 1.00 63.21  ? 564 TRP A CB  1 
ATOM   411 C  CG  . TRP A 1 69 ? -5.707  10.860 11.137 1.00 64.95  ? 564 TRP A CG  1 
ATOM   412 C  CD1 . TRP A 1 69 ? -5.709  11.387 12.399 1.00 62.37  ? 564 TRP A CD1 1 
ATOM   413 C  CD2 . TRP A 1 69 ? -4.677  11.555 10.419 1.00 53.53  ? 564 TRP A CD2 1 
ATOM   414 N  NE1 . TRP A 1 69 ? -4.736  12.349 12.515 1.00 57.69  ? 564 TRP A NE1 1 
ATOM   415 C  CE2 . TRP A 1 69 ? -4.090  12.473 11.314 1.00 54.08  ? 564 TRP A CE2 1 
ATOM   416 C  CE3 . TRP A 1 69 ? -4.187  11.480 9.111  1.00 50.42  ? 564 TRP A CE3 1 
ATOM   417 C  CZ2 . TRP A 1 69 ? -3.044  13.313 10.941 1.00 50.94  ? 564 TRP A CZ2 1 
ATOM   418 C  CZ3 . TRP A 1 69 ? -3.146  12.313 8.742  1.00 50.56  ? 564 TRP A CZ3 1 
ATOM   419 C  CH2 . TRP A 1 69 ? -2.585  13.217 9.656  1.00 57.48  ? 564 TRP A CH2 1 
ATOM   420 N  N   . ALA A 1 70 ? -4.628  8.207  8.729  1.00 61.99  ? 565 ALA A N   1 
ATOM   421 C  CA  . ALA A 1 70 ? -3.346  8.184  8.049  1.00 54.01  ? 565 ALA A CA  1 
ATOM   422 C  C   . ALA A 1 70 ? -3.463  8.983  6.760  1.00 54.95  ? 565 ALA A C   1 
ATOM   423 O  O   . ALA A 1 70 ? -4.558  9.151  6.211  1.00 56.94  ? 565 ALA A O   1 
ATOM   424 C  CB  . ALA A 1 70 ? -2.885  6.752  7.760  1.00 60.39  ? 565 ALA A CB  1 
ATOM   425 N  N   . PHE A 1 71 ? -2.325  9.495  6.296  1.00 55.88  ? 566 PHE A N   1 
ATOM   426 C  CA  . PHE A 1 71 ? -2.302  10.253 5.056  1.00 56.61  ? 566 PHE A CA  1 
ATOM   427 C  C   . PHE A 1 71 ? -2.681  9.348  3.892  1.00 53.10  ? 566 PHE A C   1 
ATOM   428 O  O   . PHE A 1 71 ? -2.262  8.189  3.820  1.00 56.83  ? 566 PHE A O   1 
ATOM   429 C  CB  . PHE A 1 71 ? -0.915  10.856 4.811  1.00 58.46  ? 566 PHE A CB  1 
ATOM   430 C  CG  . PHE A 1 71 ? -0.529  11.948 5.777  1.00 54.14  ? 566 PHE A CG  1 
ATOM   431 C  CD1 . PHE A 1 71 ? 0.074   11.645 6.990  1.00 50.36  ? 566 PHE A CD1 1 
ATOM   432 C  CD2 . PHE A 1 71 ? -0.727  13.281 5.451  1.00 48.38  ? 566 PHE A CD2 1 
ATOM   433 C  CE1 . PHE A 1 71 ? 0.451   12.654 7.873  1.00 54.93  ? 566 PHE A CE1 1 
ATOM   434 C  CE2 . PHE A 1 71 ? -0.356  14.293 6.328  1.00 54.67  ? 566 PHE A CE2 1 
ATOM   435 C  CZ  . PHE A 1 71 ? 0.234   13.981 7.540  1.00 50.71  ? 566 PHE A CZ  1 
ATOM   436 N  N   . MET A 1 72 ? -3.504  9.874  2.994  1.00 55.52  ? 567 MET A N   1 
ATOM   437 C  CA  . MET A 1 72 ? -3.745  9.223  1.719  1.00 57.78  ? 567 MET A CA  1 
ATOM   438 C  C   . MET A 1 72 ? -2.548  9.440  0.800  1.00 61.51  ? 567 MET A C   1 
ATOM   439 O  O   . MET A 1 72 ? -1.781  10.393 0.958  1.00 61.32  ? 567 MET A O   1 
ATOM   440 C  CB  . MET A 1 72 ? -5.018  9.763  1.067  1.00 56.02  ? 567 MET A CB  1 
ATOM   441 C  CG  . MET A 1 72 ? -6.270  8.941  1.333  1.00 56.10  ? 567 MET A CG  1 
ATOM   442 S  SD  . MET A 1 72 ? -6.764  8.866  3.065  1.00 87.10  ? 567 MET A SD  1 
ATOM   443 C  CE  . MET A 1 72 ? -6.389  7.163  3.480  1.00 53.64  ? 567 MET A CE  1 
ATOM   444 N  N   . GLN A 1 73 ? -2.387  8.538  -0.170 1.00 63.76  ? 568 GLN A N   1 
ATOM   445 C  CA  . GLN A 1 73 ? -1.209  8.605  -1.030 1.00 64.59  ? 568 GLN A CA  1 
ATOM   446 C  C   . GLN A 1 73 ? -1.163  9.916  -1.803 1.00 55.40  ? 568 GLN A C   1 
ATOM   447 O  O   . GLN A 1 73 ? -0.085  10.486 -2.008 1.00 62.20  ? 568 GLN A O   1 
ATOM   448 C  CB  . GLN A 1 73 ? -1.180  7.408  -1.982 1.00 67.56  ? 568 GLN A CB  1 
ATOM   449 C  CG  . GLN A 1 73 ? 0.097   7.310  -2.799 1.00 68.86  ? 568 GLN A CG  1 
ATOM   450 C  CD  . GLN A 1 73 ? 1.330   7.623  -1.973 1.00 76.12  ? 568 GLN A CD  1 
ATOM   451 O  OE1 . GLN A 1 73 ? 2.066   8.564  -2.273 1.00 74.11  ? 568 GLN A OE1 1 
ATOM   452 N  NE2 . GLN A 1 73 ? 1.559   6.839  -0.921 1.00 74.55  ? 568 GLN A NE2 1 
ATOM   453 N  N   . GLY A 1 74 ? -2.324  10.420 -2.227 1.00 62.01  ? 569 GLY A N   1 
ATOM   454 C  CA  . GLY A 1 74 ? -2.358  11.693 -2.926 1.00 59.06  ? 569 GLY A CA  1 
ATOM   455 C  C   . GLY A 1 74 ? -1.999  12.871 -2.044 1.00 61.31  ? 569 GLY A C   1 
ATOM   456 O  O   . GLY A 1 74 ? -1.466  13.874 -2.532 1.00 58.80  ? 569 GLY A O   1 
ATOM   457 N  N   . GLU A 1 75 ? -2.295  12.778 -0.745 1.00 57.22  ? 570 GLU A N   1 
ATOM   458 C  CA  . GLU A 1 75 ? -1.879  13.824 0.183  1.00 53.20  ? 570 GLU A CA  1 
ATOM   459 C  C   . GLU A 1 75 ? -0.375  13.792 0.391  1.00 53.79  ? 570 GLU A C   1 
ATOM   460 O  O   . GLU A 1 75 ? 0.278   14.842 0.441  1.00 48.49  ? 570 GLU A O   1 
ATOM   461 C  CB  . GLU A 1 75 ? -2.597  13.661 1.518  1.00 52.07  ? 570 GLU A CB  1 
ATOM   462 C  CG  . GLU A 1 75 ? -4.055  14.014 1.455  1.00 45.71  ? 570 GLU A CG  1 
ATOM   463 C  CD  . GLU A 1 75 ? -4.777  13.668 2.722  1.00 47.09  ? 570 GLU A CD  1 
ATOM   464 O  OE1 . GLU A 1 75 ? -4.455  12.624 3.329  1.00 57.18  ? 570 GLU A OE1 1 
ATOM   465 O  OE2 . GLU A 1 75 ? -5.663  14.450 3.123  1.00 55.15  ? 570 GLU A OE2 1 
ATOM   466 N  N   . ILE A 1 76 ? 0.186   12.588 0.514  1.00 57.33  ? 571 ILE A N   1 
ATOM   467 C  CA  . ILE A 1 76 ? 1.627   12.429 0.687  1.00 59.97  ? 571 ILE A CA  1 
ATOM   468 C  C   . ILE A 1 76 ? 2.368   13.054 -0.487 1.00 61.21  ? 571 ILE A C   1 
ATOM   469 O  O   . ILE A 1 76 ? 3.354   13.780 -0.310 1.00 69.30  ? 571 ILE A O   1 
ATOM   470 C  CB  . ILE A 1 76 ? 1.974   10.939 0.852  1.00 64.71  ? 571 ILE A CB  1 
ATOM   471 C  CG1 . ILE A 1 76 ? 1.590   10.458 2.253  1.00 55.46  ? 571 ILE A CG1 1 
ATOM   472 C  CG2 . ILE A 1 76 ? 3.445   10.687 0.545  1.00 70.22  ? 571 ILE A CG2 1 
ATOM   473 C  CD1 . ILE A 1 76 ? 1.407   8.957  2.357  1.00 58.47  ? 571 ILE A CD1 1 
ATOM   474 N  N   . ALA A 1 77 ? 1.884   12.794 -1.705 1.00 63.02  ? 572 ALA A N   1 
ATOM   475 C  CA  . ALA A 1 77 ? 2.530   13.322 -2.903 1.00 63.42  ? 572 ALA A CA  1 
ATOM   476 C  C   . ALA A 1 77 ? 2.492   14.844 -2.929 1.00 60.21  ? 572 ALA A C   1 
ATOM   477 O  O   . ALA A 1 77 ? 3.466   15.493 -3.329 1.00 62.66  ? 572 ALA A O   1 
ATOM   478 C  CB  . ALA A 1 77 ? 1.854   12.747 -4.147 1.00 54.79  ? 572 ALA A CB  1 
ATOM   479 N  N   . THR A 1 78 ? 1.365   15.427 -2.516 1.00 58.54  ? 573 THR A N   1 
ATOM   480 C  CA  . THR A 1 78 ? 1.234   16.879 -2.474 1.00 58.44  ? 573 THR A CA  1 
ATOM   481 C  C   . THR A 1 78 ? 2.243   17.496 -1.516 1.00 58.30  ? 573 THR A C   1 
ATOM   482 O  O   . THR A 1 78 ? 2.846   18.534 -1.818 1.00 56.16  ? 573 THR A O   1 
ATOM   483 C  CB  . THR A 1 78 ? -0.190  17.249 -2.057 1.00 61.79  ? 573 THR A CB  1 
ATOM   484 O  OG1 . THR A 1 78 ? -1.126  16.628 -2.949 1.00 64.94  ? 573 THR A OG1 1 
ATOM   485 C  CG2 . THR A 1 78 ? -0.391  18.752 -2.079 1.00 59.46  ? 573 THR A CG2 1 
ATOM   486 N  N   . ILE A 1 79 ? 2.436   16.872 -0.353 1.00 57.87  ? 574 ILE A N   1 
ATOM   487 C  CA  . ILE A 1 79 ? 3.378   17.404 0.625  1.00 65.79  ? 574 ILE A CA  1 
ATOM   488 C  C   . ILE A 1 79 ? 4.805   17.308 0.092  1.00 67.66  ? 574 ILE A C   1 
ATOM   489 O  O   . ILE A 1 79 ? 5.578   18.271 0.174  1.00 69.07  ? 574 ILE A O   1 
ATOM   490 C  CB  . ILE A 1 79 ? 3.204   16.688 1.981  1.00 58.48  ? 574 ILE A CB  1 
ATOM   491 C  CG1 . ILE A 1 79 ? 1.896   17.138 2.647  1.00 57.39  ? 574 ILE A CG1 1 
ATOM   492 C  CG2 . ILE A 1 79 ? 4.368   16.989 2.911  1.00 58.16  ? 574 ILE A CG2 1 
ATOM   493 C  CD1 . ILE A 1 79 ? 1.401   16.225 3.765  1.00 57.93  ? 574 ILE A CD1 1 
ATOM   494 N  N   . LEU A 1 80 ? 5.164   16.169 -0.511 1.00 70.34  ? 575 LEU A N   1 
ATOM   495 C  CA  . LEU A 1 80 ? 6.534   15.993 -0.992 1.00 66.86  ? 575 LEU A CA  1 
ATOM   496 C  C   . LEU A 1 80 ? 6.891   17.010 -2.072 1.00 64.83  ? 575 LEU A C   1 
ATOM   497 O  O   . LEU A 1 80 ? 8.059   17.388 -2.201 1.00 76.92  ? 575 LEU A O   1 
ATOM   498 C  CB  . LEU A 1 80 ? 6.732   14.566 -1.506 1.00 63.43  ? 575 LEU A CB  1 
ATOM   499 C  CG  . LEU A 1 80 ? 7.107   13.468 -0.502 1.00 64.56  ? 575 LEU A CG  1 
ATOM   500 C  CD1 . LEU A 1 80 ? 6.670   13.804 0.915  1.00 66.76  ? 575 LEU A CD1 1 
ATOM   501 C  CD2 . LEU A 1 80 ? 6.519   12.131 -0.937 1.00 60.62  ? 575 LEU A CD2 1 
ATOM   502 N  N   . ALA A 1 81 ? 5.910   17.480 -2.837 1.00 66.56  ? 576 ALA A N   1 
ATOM   503 C  CA  . ALA A 1 81 ? 6.153   18.529 -3.826 1.00 68.95  ? 576 ALA A CA  1 
ATOM   504 C  C   . ALA A 1 81 ? 6.207   19.898 -3.157 1.00 75.69  ? 576 ALA A C   1 
ATOM   505 O  O   . ALA A 1 81 ? 7.141   20.671 -3.373 1.00 85.55  ? 576 ALA A O   1 
ATOM   506 C  CB  . ALA A 1 81 ? 5.080   18.512 -4.903 1.00 59.69  ? 576 ALA A CB  1 
ATOM   507 N  N   . ARG B 2 1  ? -13.993 11.236 3.523  1.00 58.45  ? 1   ARG B N   1 
ATOM   508 C  CA  . ARG B 2 1  ? -13.317 12.026 4.546  1.00 65.90  ? 1   ARG B CA  1 
ATOM   509 C  C   . ARG B 2 1  ? -12.697 13.274 3.923  1.00 67.76  ? 1   ARG B C   1 
ATOM   510 O  O   . ARG B 2 1  ? -12.291 13.248 2.763  1.00 61.25  ? 1   ARG B O   1 
ATOM   511 C  CB  . ARG B 2 1  ? -12.241 11.195 5.248  1.00 71.40  ? 1   ARG B CB  1 
ATOM   512 C  CG  . ARG B 2 1  ? -11.681 11.858 6.498  1.00 63.91  ? 1   ARG B CG  1 
ATOM   513 C  CD  . ARG B 2 1  ? -10.248 11.426 6.805  1.00 65.99  ? 1   ARG B CD  1 
ATOM   514 N  NE  . ARG B 2 1  ? -9.272  11.994 5.879  1.00 66.21  ? 1   ARG B NE  1 
ATOM   515 C  CZ  . ARG B 2 1  ? -7.963  11.791 5.958  1.00 59.37  ? 1   ARG B CZ  1 
ATOM   516 N  NH1 . ARG B 2 1  ? -7.436  11.061 6.926  1.00 64.20  ? 1   ARG B NH1 1 
ATOM   517 N  NH2 . ARG B 2 1  ? -7.165  12.331 5.042  1.00 53.20  ? 1   ARG B NH2 1 
ATOM   518 N  N   . SER B 2 2  ? -12.623 14.370 4.676  1.00 61.57  ? 2   SER B N   1 
ATOM   519 C  CA  . SER B 2 2  ? -12.035 15.587 4.137  1.00 59.34  ? 2   SER B CA  1 
ATOM   520 C  C   . SER B 2 2  ? -10.517 15.562 4.251  1.00 60.90  ? 2   SER B C   1 
ATOM   521 O  O   . SER B 2 2  ? -9.948  14.953 5.165  1.00 51.27  ? 2   SER B O   1 
ATOM   522 C  CB  . SER B 2 2  ? -12.586 16.825 4.843  1.00 55.28  ? 2   SER B CB  1 
ATOM   523 O  OG  . SER B 2 2  ? -13.744 17.299 4.181  1.00 64.89  ? 2   SER B OG  1 
ATOM   524 N  N   . SER B 2 3  ? -9.865  16.229 3.300  1.00 49.08  ? 3   SER B N   1 
ATOM   525 C  CA  . SER B 2 3  ? -8.415  16.327 3.321  1.00 48.84  ? 3   SER B CA  1 
ATOM   526 C  C   . SER B 2 3  ? -7.930  16.987 4.606  1.00 49.20  ? 3   SER B C   1 
ATOM   527 O  O   . SER B 2 3  ? -8.555  17.916 5.128  1.00 46.59  ? 3   SER B O   1 
ATOM   528 C  CB  . SER B 2 3  ? -7.924  17.127 2.112  1.00 51.20  ? 3   SER B CB  1 
ATOM   529 O  OG  . SER B 2 3  ? -6.513  17.271 2.146  1.00 43.78  ? 3   SER B OG  1 
ATOM   530 N  N   . VAL B 2 4  ? -6.805  16.485 5.123  1.00 52.20  ? 4   VAL B N   1 
ATOM   531 C  CA  . VAL B 2 4  ? -6.118  17.136 6.238  1.00 40.23  ? 4   VAL B CA  1 
ATOM   532 C  C   . VAL B 2 4  ? -5.343  18.364 5.792  1.00 39.08  ? 4   VAL B C   1 
ATOM   533 O  O   . VAL B 2 4  ? -4.921  19.164 6.639  1.00 38.85  ? 4   VAL B O   1 
ATOM   534 C  CB  . VAL B 2 4  ? -5.176  16.138 6.937  1.00 41.96  ? 4   VAL B CB  1 
ATOM   535 C  CG1 . VAL B 2 4  ? -5.975  15.037 7.616  1.00 39.63  ? 4   VAL B CG1 1 
ATOM   536 C  CG2 . VAL B 2 4  ? -4.202  15.544 5.927  1.00 43.53  ? 4   VAL B CG2 1 
ATOM   537 N  N   . ILE B 2 5  ? -5.151  18.536 4.487  1.00 46.30  ? 5   ILE B N   1 
ATOM   538 C  CA  . ILE B 2 5  ? -4.528  19.738 3.947  1.00 44.20  ? 5   ILE B CA  1 
ATOM   539 C  C   . ILE B 2 5  ? -5.570  20.848 3.887  1.00 43.19  ? 5   ILE B C   1 
ATOM   540 O  O   . ILE B 2 5  ? -6.640  20.683 3.288  1.00 44.15  ? 5   ILE B O   1 
ATOM   541 C  CB  . ILE B 2 5  ? -3.918  19.462 2.563  1.00 47.55  ? 5   ILE B CB  1 
ATOM   542 C  CG1 . ILE B 2 5  ? -2.897  18.322 2.648  1.00 44.40  ? 5   ILE B CG1 1 
ATOM   543 C  CG2 . ILE B 2 5  ? -3.281  20.739 1.982  1.00 42.42  ? 5   ILE B CG2 1 
ATOM   544 C  CD1 . ILE B 2 5  ? -2.105  18.111 1.364  1.00 51.52  ? 5   ILE B CD1 1 
ATOM   545 N  N   . THR B 2 6  ? -5.249  21.983 4.508  1.00 47.72  ? 6   THR B N   1 
ATOM   546 C  CA  . THR B 2 6  ? -6.143  23.103 4.785  1.00 48.33  ? 6   THR B CA  1 
ATOM   547 C  C   . THR B 2 6  ? -5.448  24.394 4.374  1.00 48.11  ? 6   THR B C   1 
ATOM   548 O  O   . THR B 2 6  ? -4.268  24.396 4.016  1.00 50.21  ? 6   THR B O   1 
ATOM   549 C  CB  . THR B 2 6  ? -6.497  23.154 6.275  1.00 47.55  ? 6   THR B CB  1 
ATOM   550 O  OG1 . THR B 2 6  ? -6.509  21.823 6.795  1.00 45.64  ? 6   THR B OG1 1 
ATOM   551 C  CG2 . THR B 2 6  ? -7.855  23.805 6.499  1.00 60.50  ? 6   THR B CG2 1 
ATOM   552 N  N   . SER B 2 7  ? -6.162  25.511 4.471  1.00 46.86  ? 7   SER B N   1 
ATOM   553 C  CA  . SER B 2 7  ? -5.601  26.782 4.030  1.00 48.99  ? 7   SER B CA  1 
ATOM   554 C  C   . SER B 2 7  ? -6.062  27.941 4.908  1.00 58.37  ? 7   SER B C   1 
ATOM   555 O  O   . SER B 2 7  ? -7.238  28.312 4.903  1.00 67.79  ? 7   SER B O   1 
ATOM   556 C  CB  . SER B 2 7  ? -5.992  27.032 2.579  1.00 52.67  ? 7   SER B CB  1 
ATOM   557 O  OG  . SER B 2 7  ? -7.402  26.946 2.454  1.00 68.26  ? 7   SER B OG  1 
HETATM 558 ZN ZN  . ZN  C 3 .  ? 6.622   23.005 11.469 1.00 61.38  ? 601 ZN  A ZN  1 
HETATM 559 ZN ZN  . ZN  D 3 .  ? -3.154  14.396 15.927 1.00 48.27  ? 602 ZN  A ZN  1 
HETATM 560 ZN ZN  . ZN  E 3 .  ? 3.089   27.189 18.149 1.00 43.59  ? 603 ZN  A ZN  1 
HETATM 561 O  O   . HOH F 4 .  ? 0.134   24.267 19.505 1.00 29.93  ? 701 HOH A O   1 
# 
