data_8VLD
# 
_entry.id   8VLD 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.402 
_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   8VLD         pdb_00008vld 10.2210/pdb8vld/pdb 
WWPDB D_1000280504 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2025-03-19 
_pdbx_audit_revision_history.part_number         ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        8VLD 
_pdbx_database_status.recvd_initial_deposition_date   2024-01-11 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_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                 2 
_pdbx_contact_author.email              tatiana.kutateladze@cuanschutz.edu 
_pdbx_contact_author.name_first         Tatiana 
_pdbx_contact_author.name_last          Kutateladze 
_pdbx_contact_author.name_mi            G 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-7375-6990 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Vann, K.R.'        1 0000-0002-6366-6112 
'Kutateladze, T.G.' 2 0000-0001-7375-6990 
# 
_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            16 
_citation.language                  ? 
_citation.page_first                2235 
_citation.page_last                 2235 
_citation.title                     'Structure-function relationship of ASH1L and histone H3K36 and H3K4 methylation.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1038/s41467-025-57556-5 
_citation.pdbx_database_id_PubMed   40044670 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Vann, K.R.'        1  0000-0002-6366-6112 
primary 'Sharma, R.'        2  ?                   
primary 'Hsu, C.C.'         3  ?                   
primary 'Devoucoux, M.'     4  0000-0002-0965-2852 
primary 'Tencer, A.H.'      5  ?                   
primary 'Zeng, L.'          6  0000-0002-4236-6735 
primary 'Lin, K.'           7  ?                   
primary 'Zhu, L.'           8  ?                   
primary 'Li, Q.'            9  ?                   
primary 'Lachance, C.'      10 ?                   
primary 'Ospina, R.R.'      11 ?                   
primary 'Tong, Q.'          12 ?                   
primary 'Cheung, K.L.'      13 ?                   
primary 'Yang, S.'          14 ?                   
primary 'Biswas, S.'        15 ?                   
primary 'Xuan, H.'          16 ?                   
primary 'Gatchalian, J.'    17 ?                   
primary 'Alamillo, L.'      18 0000-0002-2622-0277 
primary 'Wang, J.'          19 0000-0002-1317-6457 
primary 'Jang, S.M.'        20 ?                   
primary 'Klein, B.J.'       21 ?                   
primary 'Lu, Y.'            22 ?                   
primary 'Ernst, P.'         23 ?                   
primary 'Strahl, B.D.'      24 0000-0002-4947-6259 
primary 'Rothbart, S.B.'    25 0000-0003-1631-5392 
primary 'Walsh, M.J.'       26 0000-0001-8339-8285 
primary 'Cleary, M.L.'      27 0000-0001-7127-3223 
primary 'Cote, J.'          28 0000-0001-6751-555X 
primary 'Shi, X.'           29 0000-0001-5242-8189 
primary 'Zhou, M.M.'        30 0000-0002-7049-0573 
primary 'Kutateladze, T.G.' 31 0000-0001-7375-6990 
# 
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 'Histone-lysine N-methyltransferase ASH1L' 6470.484 2  ? ? ? ? 
2 polymer     syn 'Histone H3.3C'                            1278.482 2  ? ? ? ? 
3 non-polymer syn 'ZINC ION'                                 65.409   4  ? ? ? ? 
4 water       nat water                                      18.015   93 ? ? ? ? 
# 
_entity_name_com.entity_id   2 
_entity_name_com.name        'Histone H3.5' 
# 
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  GPLDVIRCICGLYKDEGLMIQCDKCMVWQHCDCMGVNSDVEHYLCEQCDPRPVDRE 
GPLDVIRCICGLYKDEGLMIQCDKCMVWQHCDCMGVNSDVEHYLCEQCDPRPVDRE A,B ? 
2 'polypeptide(L)' no yes 'ART(MLY)QTARKST'                                        ARTKQTARKST T,P ? 
# 
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  PRO n 
1 3  LEU n 
1 4  ASP n 
1 5  VAL n 
1 6  ILE n 
1 7  ARG n 
1 8  CYS n 
1 9  ILE n 
1 10 CYS n 
1 11 GLY n 
1 12 LEU n 
1 13 TYR n 
1 14 LYS n 
1 15 ASP n 
1 16 GLU n 
1 17 GLY n 
1 18 LEU n 
1 19 MET n 
1 20 ILE n 
1 21 GLN n 
1 22 CYS n 
1 23 ASP n 
1 24 LYS n 
1 25 CYS n 
1 26 MET n 
1 27 VAL n 
1 28 TRP n 
1 29 GLN n 
1 30 HIS n 
1 31 CYS n 
1 32 ASP n 
1 33 CYS n 
1 34 MET n 
1 35 GLY n 
1 36 VAL n 
1 37 ASN n 
1 38 SER n 
1 39 ASP n 
1 40 VAL n 
1 41 GLU n 
1 42 HIS n 
1 43 TYR n 
1 44 LEU n 
1 45 CYS n 
1 46 GLU n 
1 47 GLN n 
1 48 CYS n 
1 49 ASP n 
1 50 PRO n 
1 51 ARG n 
1 52 PRO n 
1 53 VAL n 
1 54 ASP n 
1 55 ARG n 
1 56 GLU n 
2 1  ALA n 
2 2  ARG n 
2 3  THR n 
2 4  MLY n 
2 5  GLN n 
2 6  THR n 
2 7  ALA n 
2 8  ARG n 
2 9  LYS n 
2 10 SER n 
2 11 THR 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                   56 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 ASH1L 
_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       11 
_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                Synpeptide 
# 
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 
MLY 'L-peptide linking' n N-DIMETHYL-LYSINE ? 'C8 H18 N2 O2'   174.241 
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  1  1  GLY GLY A . n 
A 1 2  PRO 2  2  2  PRO PRO A . n 
A 1 3  LEU 3  3  3  LEU LEU A . n 
A 1 4  ASP 4  4  4  ASP ASP A . n 
A 1 5  VAL 5  5  5  VAL VAL A . n 
A 1 6  ILE 6  6  6  ILE ILE A . n 
A 1 7  ARG 7  7  7  ARG ARG A . n 
A 1 8  CYS 8  8  8  CYS CYS A . n 
A 1 9  ILE 9  9  9  ILE ILE A . n 
A 1 10 CYS 10 10 10 CYS CYS A . n 
A 1 11 GLY 11 11 11 GLY GLY A . n 
A 1 12 LEU 12 12 12 LEU LEU A . n 
A 1 13 TYR 13 13 13 TYR TYR A . n 
A 1 14 LYS 14 14 14 LYS LYS A . n 
A 1 15 ASP 15 15 15 ASP ASP A . n 
A 1 16 GLU 16 16 16 GLU GLU A . n 
A 1 17 GLY 17 17 17 GLY GLY A . n 
A 1 18 LEU 18 18 18 LEU LEU A . n 
A 1 19 MET 19 19 19 MET MET A . n 
A 1 20 ILE 20 20 20 ILE ILE A . n 
A 1 21 GLN 21 21 21 GLN GLN A . n 
A 1 22 CYS 22 22 22 CYS CYS A . n 
A 1 23 ASP 23 23 23 ASP ASP A . n 
A 1 24 LYS 24 24 24 LYS LYS A . n 
A 1 25 CYS 25 25 25 CYS CYS A . n 
A 1 26 MET 26 26 26 MET MET A . n 
A 1 27 VAL 27 27 27 VAL VAL A . n 
A 1 28 TRP 28 28 28 TRP TRP A . n 
A 1 29 GLN 29 29 29 GLN GLN A . n 
A 1 30 HIS 30 30 30 HIS HIS A . n 
A 1 31 CYS 31 31 31 CYS CYS A . n 
A 1 32 ASP 32 32 32 ASP ASP A . n 
A 1 33 CYS 33 33 33 CYS CYS A . n 
A 1 34 MET 34 34 34 MET MET A . n 
A 1 35 GLY 35 35 35 GLY GLY A . n 
A 1 36 VAL 36 36 36 VAL VAL A . n 
A 1 37 ASN 37 37 37 ASN ASN A . n 
A 1 38 SER 38 38 38 SER SER A . n 
A 1 39 ASP 39 39 39 ASP ASP A . n 
A 1 40 VAL 40 40 40 VAL VAL A . n 
A 1 41 GLU 41 41 41 GLU GLU A . n 
A 1 42 HIS 42 42 42 HIS HIS A . n 
A 1 43 TYR 43 43 43 TYR TYR A . n 
A 1 44 LEU 44 44 44 LEU LEU A . n 
A 1 45 CYS 45 45 45 CYS CYS A . n 
A 1 46 GLU 46 46 46 GLU GLU A . n 
A 1 47 GLN 47 47 47 GLN GLN A . n 
A 1 48 CYS 48 48 48 CYS CYS A . n 
A 1 49 ASP 49 49 49 ASP ASP A . n 
A 1 50 PRO 50 50 50 PRO PRO A . n 
A 1 51 ARG 51 51 51 ARG ARG A . n 
A 1 52 PRO 52 52 52 PRO PRO A . n 
A 1 53 VAL 53 53 53 VAL VAL A . n 
A 1 54 ASP 54 54 ?  ?   ?   A . n 
A 1 55 ARG 55 55 ?  ?   ?   A . n 
A 1 56 GLU 56 56 ?  ?   ?   A . n 
B 1 1  GLY 1  1  1  GLY GLY B . n 
B 1 2  PRO 2  2  2  PRO PRO B . n 
B 1 3  LEU 3  3  3  LEU LEU B . n 
B 1 4  ASP 4  4  4  ASP ASP B . n 
B 1 5  VAL 5  5  5  VAL VAL B . n 
B 1 6  ILE 6  6  6  ILE ILE B . n 
B 1 7  ARG 7  7  7  ARG ARG B . n 
B 1 8  CYS 8  8  8  CYS CYS B . n 
B 1 9  ILE 9  9  9  ILE ILE B . n 
B 1 10 CYS 10 10 10 CYS CYS B . n 
B 1 11 GLY 11 11 11 GLY GLY B . n 
B 1 12 LEU 12 12 12 LEU LEU B . n 
B 1 13 TYR 13 13 13 TYR TYR B . n 
B 1 14 LYS 14 14 14 LYS LYS B . n 
B 1 15 ASP 15 15 15 ASP ASP B . n 
B 1 16 GLU 16 16 16 GLU GLU B . n 
B 1 17 GLY 17 17 17 GLY GLY B . n 
B 1 18 LEU 18 18 18 LEU LEU B . n 
B 1 19 MET 19 19 19 MET MET B . n 
B 1 20 ILE 20 20 20 ILE ILE B . n 
B 1 21 GLN 21 21 21 GLN GLN B . n 
B 1 22 CYS 22 22 22 CYS CYS B . n 
B 1 23 ASP 23 23 23 ASP ASP B . n 
B 1 24 LYS 24 24 24 LYS LYS B . n 
B 1 25 CYS 25 25 25 CYS CYS B . n 
B 1 26 MET 26 26 26 MET MET B . n 
B 1 27 VAL 27 27 27 VAL VAL B . n 
B 1 28 TRP 28 28 28 TRP TRP B . n 
B 1 29 GLN 29 29 29 GLN GLN B . n 
B 1 30 HIS 30 30 30 HIS HIS B . n 
B 1 31 CYS 31 31 31 CYS CYS B . n 
B 1 32 ASP 32 32 32 ASP ASP B . n 
B 1 33 CYS 33 33 33 CYS CYS B . n 
B 1 34 MET 34 34 34 MET MET B . n 
B 1 35 GLY 35 35 35 GLY GLY B . n 
B 1 36 VAL 36 36 36 VAL VAL B . n 
B 1 37 ASN 37 37 37 ASN ASN B . n 
B 1 38 SER 38 38 38 SER SER B . n 
B 1 39 ASP 39 39 39 ASP ASP B . n 
B 1 40 VAL 40 40 40 VAL VAL B . n 
B 1 41 GLU 41 41 41 GLU GLU B . n 
B 1 42 HIS 42 42 42 HIS HIS B . n 
B 1 43 TYR 43 43 43 TYR TYR B . n 
B 1 44 LEU 44 44 44 LEU LEU B . n 
B 1 45 CYS 45 45 45 CYS CYS B . n 
B 1 46 GLU 46 46 46 GLU GLU B . n 
B 1 47 GLN 47 47 47 GLN GLN B . n 
B 1 48 CYS 48 48 48 CYS CYS B . n 
B 1 49 ASP 49 49 49 ASP ASP B . n 
B 1 50 PRO 50 50 50 PRO PRO B . n 
B 1 51 ARG 51 51 51 ARG ARG B . n 
B 1 52 PRO 52 52 52 PRO PRO B . n 
B 1 53 VAL 53 53 53 VAL VAL B . n 
B 1 54 ASP 54 54 ?  ?   ?   B . n 
B 1 55 ARG 55 55 ?  ?   ?   B . n 
B 1 56 GLU 56 56 ?  ?   ?   B . n 
C 2 1  ALA 1  1  1  ALA ALA T . n 
C 2 2  ARG 2  2  2  ARG ARG T . n 
C 2 3  THR 3  3  3  THR THR T . n 
C 2 4  MLY 4  4  4  MLY MLY T . n 
C 2 5  GLN 5  5  5  GLN GLN T . n 
C 2 6  THR 6  6  6  THR THR T . n 
C 2 7  ALA 7  7  ?  ?   ?   T . n 
C 2 8  ARG 8  8  ?  ?   ?   T . n 
C 2 9  LYS 9  9  ?  ?   ?   T . n 
C 2 10 SER 10 10 ?  ?   ?   T . n 
C 2 11 THR 11 11 ?  ?   ?   T . n 
D 2 1  ALA 1  1  1  ALA ALA P . n 
D 2 2  ARG 2  2  2  ARG ARG P . n 
D 2 3  THR 3  3  3  THR THR P . n 
D 2 4  MLY 4  4  4  MLY MLY P . n 
D 2 5  GLN 5  5  5  GLN GLN P . n 
D 2 6  THR 6  6  6  THR THR P . n 
D 2 7  ALA 7  7  ?  ?   ?   P . n 
D 2 8  ARG 8  8  ?  ?   ?   P . n 
D 2 9  LYS 9  9  ?  ?   ?   P . n 
D 2 10 SER 10 10 ?  ?   ?   P . n 
D 2 11 THR 11 11 ?  ?   ?   P . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        MLY 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   MLY 
_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 
E 3 ZN  1  101 101 ZN  ZN  A . 
F 3 ZN  1  102 102 ZN  ZN  A . 
G 3 ZN  1  101 101 ZN  ZN  B . 
H 3 ZN  1  102 102 ZN  ZN  B . 
I 4 HOH 1  201 201 HOH HOH A . 
I 4 HOH 2  202 202 HOH HOH A . 
I 4 HOH 3  203 203 HOH HOH A . 
I 4 HOH 4  204 204 HOH HOH A . 
I 4 HOH 5  205 205 HOH HOH A . 
I 4 HOH 6  206 206 HOH HOH A . 
I 4 HOH 7  207 207 HOH HOH A . 
I 4 HOH 8  208 208 HOH HOH A . 
I 4 HOH 9  209 209 HOH HOH A . 
I 4 HOH 10 210 210 HOH HOH A . 
I 4 HOH 11 211 211 HOH HOH A . 
I 4 HOH 12 212 212 HOH HOH A . 
I 4 HOH 13 213 213 HOH HOH A . 
I 4 HOH 14 214 214 HOH HOH A . 
I 4 HOH 15 215 215 HOH HOH A . 
I 4 HOH 16 216 216 HOH HOH A . 
I 4 HOH 17 217 217 HOH HOH A . 
I 4 HOH 18 218 218 HOH HOH A . 
I 4 HOH 19 219 219 HOH HOH A . 
I 4 HOH 20 220 220 HOH HOH A . 
I 4 HOH 21 221 221 HOH HOH A . 
I 4 HOH 22 222 222 HOH HOH A . 
I 4 HOH 23 223 223 HOH HOH A . 
I 4 HOH 24 224 224 HOH HOH A . 
I 4 HOH 25 225 225 HOH HOH A . 
I 4 HOH 26 226 226 HOH HOH A . 
I 4 HOH 27 227 227 HOH HOH A . 
I 4 HOH 28 228 228 HOH HOH A . 
I 4 HOH 29 229 229 HOH HOH A . 
I 4 HOH 30 230 230 HOH HOH A . 
I 4 HOH 31 231 231 HOH HOH A . 
I 4 HOH 32 232 232 HOH HOH A . 
I 4 HOH 33 233 233 HOH HOH A . 
I 4 HOH 34 234 234 HOH HOH A . 
I 4 HOH 35 235 235 HOH HOH A . 
I 4 HOH 36 236 236 HOH HOH A . 
I 4 HOH 37 237 237 HOH HOH A . 
I 4 HOH 38 238 238 HOH HOH A . 
I 4 HOH 39 239 239 HOH HOH A . 
I 4 HOH 40 240 240 HOH HOH A . 
I 4 HOH 41 241 241 HOH HOH A . 
I 4 HOH 42 242 242 HOH HOH A . 
J 4 HOH 1  201 201 HOH HOH B . 
J 4 HOH 2  202 202 HOH HOH B . 
J 4 HOH 3  203 203 HOH HOH B . 
J 4 HOH 4  204 204 HOH HOH B . 
J 4 HOH 5  205 205 HOH HOH B . 
J 4 HOH 6  206 206 HOH HOH B . 
J 4 HOH 7  207 207 HOH HOH B . 
J 4 HOH 8  208 208 HOH HOH B . 
J 4 HOH 9  209 209 HOH HOH B . 
J 4 HOH 10 210 210 HOH HOH B . 
J 4 HOH 11 211 211 HOH HOH B . 
J 4 HOH 12 212 212 HOH HOH B . 
J 4 HOH 13 213 213 HOH HOH B . 
J 4 HOH 14 214 214 HOH HOH B . 
J 4 HOH 15 215 215 HOH HOH B . 
J 4 HOH 16 216 216 HOH HOH B . 
J 4 HOH 17 217 217 HOH HOH B . 
J 4 HOH 18 218 218 HOH HOH B . 
J 4 HOH 19 219 219 HOH HOH B . 
J 4 HOH 20 220 220 HOH HOH B . 
J 4 HOH 21 221 221 HOH HOH B . 
J 4 HOH 22 222 222 HOH HOH B . 
J 4 HOH 23 223 223 HOH HOH B . 
J 4 HOH 24 224 224 HOH HOH B . 
J 4 HOH 25 225 225 HOH HOH B . 
J 4 HOH 26 226 226 HOH HOH B . 
J 4 HOH 27 227 227 HOH HOH B . 
J 4 HOH 28 228 228 HOH HOH B . 
J 4 HOH 29 229 229 HOH HOH B . 
J 4 HOH 30 230 230 HOH HOH B . 
J 4 HOH 31 231 231 HOH HOH B . 
J 4 HOH 32 232 232 HOH HOH B . 
J 4 HOH 33 233 233 HOH HOH B . 
J 4 HOH 34 234 234 HOH HOH B . 
J 4 HOH 35 235 235 HOH HOH B . 
J 4 HOH 36 236 236 HOH HOH B . 
J 4 HOH 37 237 237 HOH HOH B . 
J 4 HOH 38 238 238 HOH HOH B . 
K 4 HOH 1  101 101 HOH HOH T . 
K 4 HOH 2  102 102 HOH HOH T . 
K 4 HOH 3  103 103 HOH HOH T . 
K 4 HOH 4  104 104 HOH HOH T . 
K 4 HOH 5  105 105 HOH HOH T . 
K 4 HOH 6  106 106 HOH HOH T . 
L 4 HOH 1  101 101 HOH HOH P . 
L 4 HOH 2  102 102 HOH HOH P . 
L 4 HOH 3  103 103 HOH HOH P . 
L 4 HOH 4  104 104 HOH HOH P . 
L 4 HOH 5  105 105 HOH HOH P . 
L 4 HOH 6  106 106 HOH HOH P . 
L 4 HOH 7  107 107 HOH HOH P . 
# 
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  ? ? ? 1.18.2_3874 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? iMOSFLM ? ? ? .           2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? SCALA   ? ? ? .           3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? .           4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8VLD 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     49.960 
_cell.length_a_esd                 ? 
_cell.length_b                     49.960 
_cell.length_b_esd                 ? 
_cell.length_c                     46.050 
_cell.length_c_esd                 ? 
_cell.volume                       114940.414 
_cell.volume_esd                   ? 
_cell.Z_PDB                        8 
_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                         8VLD 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                78 
_symmetry.space_group_name_Hall            'P 4cw' 
_symmetry.space_group_name_H-M             'P 43' 
_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                   8VLD 
_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             1.85 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          33.66 
_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    '1.6 M sodium citrate pH 6.5' 
_exptl_crystal_grow.pdbx_pH_range   6.5 
_exptl_crystal_grow.temp            277 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS 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         2014-08-03 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.28 
_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                        'NSLS BEAMLINE X25' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.28 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   X25 
_diffrn_source.pdbx_synchrotron_site       NSLS 
# 
_reflns.B_iso_Wilson_estimate                          23.98 
_reflns.entry_id                                       8VLD 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.92 
_reflns.d_resolution_low                               35.33 
_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                                     16874 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           99.8 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                18 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          31 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   ? 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.06 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.92 
_reflns_shell.d_res_low                                     1.99 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           12.3 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             849 
_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                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  ? 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.096 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               29.27 
_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                                 8VLD 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.92 
_refine.ls_d_res_low                             35.33 
_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                     16874 
_refine.ls_number_reflns_R_free                  836 
_refine.ls_number_reflns_R_work                  16038 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.29 
_refine.ls_percent_reflns_R_free                 4.95 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2034 
_refine.ls_R_factor_R_free                       0.2491 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2007 
_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                          1.44 
_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          SAD 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.1100 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 33.6808 
_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                            0.1573 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.92 
_refine_hist.d_res_low                        35.33 
_refine_hist.number_atoms_solvent             93 
_refine_hist.number_atoms_total               1025 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        928 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         4 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.0046 ? 951  ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.9111 ? 1282 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0564 ? 140  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0061 ? 166  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 5.1123 ? 136  ? f_dihedral_angle_d ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.92 2.04  . . 120 2579 95.95  . . . . 0.2550 . . . . . . . . . . . 0.3235 
'X-RAY DIFFRACTION' 2.04 2.20  . . 147 2720 100.00 . . . . 0.2257 . . . . . . . . . . . 0.2895 
'X-RAY DIFFRACTION' 2.20 2.42  . . 142 2674 99.93  . . . . 0.2017 . . . . . . . . . . . 0.2440 
'X-RAY DIFFRACTION' 2.42 2.77  . . 142 2677 99.89  . . . . 0.2720 . . . . . . . . . . . 0.2856 
'X-RAY DIFFRACTION' 2.77 3.49  . . 142 2691 99.96  . . . . 0.2020 . . . . . . . . . . . 0.2170 
'X-RAY DIFFRACTION' 3.49 35.33 . . 143 2697 99.96  . . . . 0.1578 . . . . . . . . . . . 0.2354 
# 
_struct.entry_id                     8VLD 
_struct.title                        'Crystal structure of Ash1L PHD finger in complex with histone H3K4me2' 
_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        8VLD 
_struct_keywords.text            'Ash1L, H3K4me2, zinc finger, transcriptional regulation, TRANSFERASE' 
_struct_keywords.pdbx_keywords   TRANSFERASE 
# 
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 1 ? 
C N N 2 ? 
D N N 2 ? 
E N N 3 ? 
F N N 3 ? 
G N N 3 ? 
H N N 3 ? 
I N N 4 ? 
J N N 4 ? 
K N N 4 ? 
L 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 ASH1L_HUMAN Q9NR48 ? 1 DVIRCICGLYKDEGLMIQCDKCMVWQHCDCMGVNSDVEHYLCEQCDPRPVDRE 2584 
2 UNP H3C_HUMAN   Q6NXT2 ? 2 ARTKQTARKST                                           2    
# 
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 8VLD A 4 ? 56 ? Q9NR48 2584 ? 2636 ? 4 56 
2 1 8VLD B 4 ? 56 ? Q9NR48 2584 ? 2636 ? 4 56 
3 2 8VLD T 1 ? 11 ? Q6NXT2 2    ? 12   ? 1 11 
4 2 8VLD P 1 ? 11 ? Q6NXT2 2    ? 12   ? 1 11 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 8VLD GLY A 1 ? UNP Q9NR48 ? ? 'expression tag' 1 1 
1 8VLD PRO A 2 ? UNP Q9NR48 ? ? 'expression tag' 2 2 
1 8VLD LEU A 3 ? UNP Q9NR48 ? ? 'expression tag' 3 3 
2 8VLD GLY B 1 ? UNP Q9NR48 ? ? 'expression tag' 1 4 
2 8VLD PRO B 2 ? UNP Q9NR48 ? ? 'expression tag' 2 5 
2 8VLD LEU B 3 ? UNP Q9NR48 ? ? 'expression tag' 3 6 
# 
_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   tetrameric 
_pdbx_struct_assembly.oligomeric_count     4 
# 
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)' 2800 ? 
1 MORE         -36  ? 
1 'SSA (A^2)'  7480 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G,H,I,J,K,L 
# 
_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 31 ? GLY A 35 ? CYS A 31 GLY A 35 1 ? 5 
HELX_P HELX_P2 AA2 CYS B 31 ? GLY B 35 ? CYS B 31 GLY B 35 1 ? 5 
# 
_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 
covale1  covale both ? C THR 3  C   ? ? ? 1_555 C MLY 4 N  ? ? T THR 3  T MLY 4   1_555 ? ? ? ? ? ? ? 1.325 ? ? 
covale2  covale both ? C MLY 4  C   ? ? ? 1_555 C GLN 5 N  ? ? T MLY 4  T GLN 5   1_555 ? ? ? ? ? ? ? 1.325 ? ? 
covale3  covale both ? D THR 3  C   ? ? ? 1_555 D MLY 4 N  ? ? P THR 3  P MLY 4   1_555 ? ? ? ? ? ? ? 1.327 ? ? 
covale4  covale both ? D MLY 4  C   ? ? ? 1_555 D GLN 5 N  ? ? P MLY 4  P GLN 5   1_555 ? ? ? ? ? ? ? 1.325 ? ? 
metalc1  metalc ?    ? A CYS 8  SG  ? ? ? 1_555 F ZN  . ZN ? ? A CYS 8  A ZN  102 1_555 ? ? ? ? ? ? ? 2.319 ? ? 
metalc2  metalc ?    ? A CYS 10 SG  ? ? ? 1_555 F ZN  . ZN ? ? A CYS 10 A ZN  102 1_555 ? ? ? ? ? ? ? 2.300 ? ? 
metalc3  metalc ?    ? A CYS 22 SG  ? ? ? 1_555 E ZN  . ZN ? ? A CYS 22 A ZN  101 1_555 ? ? ? ? ? ? ? 2.316 ? ? 
metalc4  metalc ?    ? A CYS 25 SG  ? ? ? 1_555 E ZN  . ZN ? ? A CYS 25 A ZN  101 1_555 ? ? ? ? ? ? ? 2.301 ? ? 
metalc5  metalc ?    ? A HIS 30 ND1 ? ? ? 1_555 F ZN  . ZN ? ? A HIS 30 A ZN  102 1_555 ? ? ? ? ? ? ? 2.005 ? ? 
metalc6  metalc ?    ? A CYS 33 SG  ? ? ? 1_555 F ZN  . ZN ? ? A CYS 33 A ZN  102 1_555 ? ? ? ? ? ? ? 2.327 ? ? 
metalc7  metalc ?    ? A CYS 45 SG  ? ? ? 1_555 E ZN  . ZN ? ? A CYS 45 A ZN  101 1_555 ? ? ? ? ? ? ? 2.328 ? ? 
metalc8  metalc ?    ? A CYS 48 SG  ? ? ? 1_555 E ZN  . ZN ? ? A CYS 48 A ZN  101 1_555 ? ? ? ? ? ? ? 2.322 ? ? 
metalc9  metalc ?    ? B CYS 8  SG  ? ? ? 1_555 G ZN  . ZN ? ? B CYS 8  B ZN  101 1_555 ? ? ? ? ? ? ? 2.317 ? ? 
metalc10 metalc ?    ? B CYS 10 SG  ? ? ? 1_555 G ZN  . ZN ? ? B CYS 10 B ZN  101 1_555 ? ? ? ? ? ? ? 2.300 ? ? 
metalc11 metalc ?    ? B CYS 22 SG  ? ? ? 1_555 H ZN  . ZN ? ? B CYS 22 B ZN  102 1_555 ? ? ? ? ? ? ? 2.312 ? ? 
metalc12 metalc ?    ? B CYS 25 SG  ? ? ? 1_555 H ZN  . ZN ? ? B CYS 25 B ZN  102 1_555 ? ? ? ? ? ? ? 2.302 ? ? 
metalc13 metalc ?    ? B HIS 30 ND1 ? ? ? 1_555 G ZN  . ZN ? ? B HIS 30 B ZN  101 1_555 ? ? ? ? ? ? ? 2.033 ? ? 
metalc14 metalc ?    ? B CYS 33 SG  ? ? ? 1_555 G ZN  . ZN ? ? B CYS 33 B ZN  101 1_555 ? ? ? ? ? ? ? 2.316 ? ? 
metalc15 metalc ?    ? B CYS 45 SG  ? ? ? 1_555 H ZN  . ZN ? ? B CYS 45 B ZN  102 1_555 ? ? ? ? ? ? ? 2.317 ? ? 
metalc16 metalc ?    ? B CYS 48 SG  ? ? ? 1_555 H ZN  . ZN ? ? B CYS 48 B ZN  102 1_555 ? ? ? ? ? ? ? 2.315 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
covale ? ? 
metalc ? ? 
# 
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 8  ? A CYS 8  ? 1_555 ZN ? F ZN . ? A ZN 102 ? 1_555 SG  ? A CYS 10 ? A CYS 10 ? 1_555 116.6 ? 
2  SG  ? A CYS 8  ? A CYS 8  ? 1_555 ZN ? F ZN . ? A ZN 102 ? 1_555 ND1 ? A HIS 30 ? A HIS 30 ? 1_555 102.1 ? 
3  SG  ? A CYS 10 ? A CYS 10 ? 1_555 ZN ? F ZN . ? A ZN 102 ? 1_555 ND1 ? A HIS 30 ? A HIS 30 ? 1_555 102.2 ? 
4  SG  ? A CYS 8  ? A CYS 8  ? 1_555 ZN ? F ZN . ? A ZN 102 ? 1_555 SG  ? A CYS 33 ? A CYS 33 ? 1_555 111.8 ? 
5  SG  ? A CYS 10 ? A CYS 10 ? 1_555 ZN ? F ZN . ? A ZN 102 ? 1_555 SG  ? A CYS 33 ? A CYS 33 ? 1_555 113.1 ? 
6  ND1 ? A HIS 30 ? A HIS 30 ? 1_555 ZN ? F ZN . ? A ZN 102 ? 1_555 SG  ? A CYS 33 ? A CYS 33 ? 1_555 109.9 ? 
7  SG  ? A CYS 22 ? A CYS 22 ? 1_555 ZN ? E ZN . ? A ZN 101 ? 1_555 SG  ? A CYS 25 ? A CYS 25 ? 1_555 110.1 ? 
8  SG  ? A CYS 22 ? A CYS 22 ? 1_555 ZN ? E ZN . ? A ZN 101 ? 1_555 SG  ? A CYS 45 ? A CYS 45 ? 1_555 113.2 ? 
9  SG  ? A CYS 25 ? A CYS 25 ? 1_555 ZN ? E ZN . ? A ZN 101 ? 1_555 SG  ? A CYS 45 ? A CYS 45 ? 1_555 107.5 ? 
10 SG  ? A CYS 22 ? A CYS 22 ? 1_555 ZN ? E ZN . ? A ZN 101 ? 1_555 SG  ? A CYS 48 ? A CYS 48 ? 1_555 105.8 ? 
11 SG  ? A CYS 25 ? A CYS 25 ? 1_555 ZN ? E ZN . ? A ZN 101 ? 1_555 SG  ? A CYS 48 ? A CYS 48 ? 1_555 115.3 ? 
12 SG  ? A CYS 45 ? A CYS 45 ? 1_555 ZN ? E ZN . ? A ZN 101 ? 1_555 SG  ? A CYS 48 ? A CYS 48 ? 1_555 105.0 ? 
13 SG  ? B CYS 8  ? B CYS 8  ? 1_555 ZN ? G ZN . ? B ZN 101 ? 1_555 SG  ? B CYS 10 ? B CYS 10 ? 1_555 115.9 ? 
14 SG  ? B CYS 8  ? B CYS 8  ? 1_555 ZN ? G ZN . ? B ZN 101 ? 1_555 ND1 ? B HIS 30 ? B HIS 30 ? 1_555 102.3 ? 
15 SG  ? B CYS 10 ? B CYS 10 ? 1_555 ZN ? G ZN . ? B ZN 101 ? 1_555 ND1 ? B HIS 30 ? B HIS 30 ? 1_555 102.5 ? 
16 SG  ? B CYS 8  ? B CYS 8  ? 1_555 ZN ? G ZN . ? B ZN 101 ? 1_555 SG  ? B CYS 33 ? B CYS 33 ? 1_555 112.6 ? 
17 SG  ? B CYS 10 ? B CYS 10 ? 1_555 ZN ? G ZN . ? B ZN 101 ? 1_555 SG  ? B CYS 33 ? B CYS 33 ? 1_555 112.2 ? 
18 ND1 ? B HIS 30 ? B HIS 30 ? 1_555 ZN ? G ZN . ? B ZN 101 ? 1_555 SG  ? B CYS 33 ? B CYS 33 ? 1_555 110.2 ? 
19 SG  ? B CYS 22 ? B CYS 22 ? 1_555 ZN ? H ZN . ? B ZN 102 ? 1_555 SG  ? B CYS 25 ? B CYS 25 ? 1_555 108.9 ? 
20 SG  ? B CYS 22 ? B CYS 22 ? 1_555 ZN ? H ZN . ? B ZN 102 ? 1_555 SG  ? B CYS 45 ? B CYS 45 ? 1_555 113.3 ? 
21 SG  ? B CYS 25 ? B CYS 25 ? 1_555 ZN ? H ZN . ? B ZN 102 ? 1_555 SG  ? B CYS 45 ? B CYS 45 ? 1_555 106.2 ? 
22 SG  ? B CYS 22 ? B CYS 22 ? 1_555 ZN ? H ZN . ? B ZN 102 ? 1_555 SG  ? B CYS 48 ? B CYS 48 ? 1_555 106.5 ? 
23 SG  ? B CYS 25 ? B CYS 25 ? 1_555 ZN ? H ZN . ? B ZN 102 ? 1_555 SG  ? B CYS 48 ? B CYS 48 ? 1_555 114.8 ? 
24 SG  ? B CYS 45 ? B CYS 45 ? 1_555 ZN ? H ZN . ? B ZN 102 ? 1_555 SG  ? B CYS 48 ? B CYS 48 ? 1_555 107.3 ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1 MLY C 4 ? . . . . MLY T 4 ? 1_555 . . . . . . . LYS 1 MLY Methylation 'Named protein modification' 
2 MLY D 4 ? . . . . MLY P 4 ? 1_555 . . . . . . . LYS 1 MLY Methylation 'Named protein modification' 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 3 ? 
AA2 ? 3 ? 
# 
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 
AA2 1 2 ? anti-parallel 
AA2 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 TRP A 28 ? HIS A 30 ? TRP A 28 HIS A 30 
AA1 2 LEU A 18 ? GLN A 21 ? LEU A 18 GLN A 21 
AA1 3 THR C 3  ? GLN C 5  ? THR T 3  GLN T 5  
AA2 1 TRP B 28 ? HIS B 30 ? TRP B 28 HIS B 30 
AA2 2 LEU B 18 ? GLN B 21 ? LEU B 18 GLN B 21 
AA2 3 THR D 3  ? GLN D 5  ? THR P 3  GLN P 5  
# 
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 GLN A 29 ? O GLN A 29 N ILE A 20 ? N ILE A 20 
AA1 2 3 N MET A 19 ? N MET A 19 O MLY C 4  ? O MLY T 4  
AA2 1 2 O GLN B 29 ? O GLN B 29 N ILE B 20 ? N ILE B 20 
AA2 2 3 N MET B 19 ? N MET B 19 O MLY D 4  ? O MLY P 4  
# 
_pdbx_entry_details.entry_id                   8VLD 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   Y 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    LYS 
_pdbx_validate_torsion.auth_asym_id    A 
_pdbx_validate_torsion.auth_seq_id     24 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -76.80 
_pdbx_validate_torsion.psi             -71.16 
# 
_pdbx_validate_main_chain_plane.id                       1 
_pdbx_validate_main_chain_plane.PDB_model_num            1 
_pdbx_validate_main_chain_plane.auth_comp_id             LEU 
_pdbx_validate_main_chain_plane.auth_asym_id             B 
_pdbx_validate_main_chain_plane.auth_seq_id              3 
_pdbx_validate_main_chain_plane.PDB_ins_code             ? 
_pdbx_validate_main_chain_plane.label_alt_id             A 
_pdbx_validate_main_chain_plane.improper_torsion_angle   -14.79 
# 
loop_
_pdbx_struct_mod_residue.id 
_pdbx_struct_mod_residue.label_asym_id 
_pdbx_struct_mod_residue.label_comp_id 
_pdbx_struct_mod_residue.label_seq_id 
_pdbx_struct_mod_residue.auth_asym_id 
_pdbx_struct_mod_residue.auth_comp_id 
_pdbx_struct_mod_residue.auth_seq_id 
_pdbx_struct_mod_residue.PDB_ins_code 
_pdbx_struct_mod_residue.parent_comp_id 
_pdbx_struct_mod_residue.details 
1 C MLY 4 T MLY 4 ? LYS 'modified residue' 
2 D MLY 4 P MLY 4 ? LYS 'modified residue' 
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1 x,y,z       
2 -y,x,z+3/4  
3 y,-x,z+1/4  
4 -x,-y,z+1/2 
# 
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 ASP 54 ? A ASP 54 
2  1 Y 1 A ARG 55 ? A ARG 55 
3  1 Y 1 A GLU 56 ? A GLU 56 
4  1 Y 1 B ASP 54 ? B ASP 54 
5  1 Y 1 B ARG 55 ? B ARG 55 
6  1 Y 1 B GLU 56 ? B GLU 56 
7  1 Y 1 T ALA 7  ? C ALA 7  
8  1 Y 1 T ARG 8  ? C ARG 8  
9  1 Y 1 T LYS 9  ? C LYS 9  
10 1 Y 1 T SER 10 ? C SER 10 
11 1 Y 1 T THR 11 ? C THR 11 
12 1 Y 1 P ALA 7  ? D ALA 7  
13 1 Y 1 P ARG 8  ? D ARG 8  
14 1 Y 1 P LYS 9  ? D LYS 9  
15 1 Y 1 P SER 10 ? D SER 10 
16 1 Y 1 P THR 11 ? D THR 11 
# 
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 
MLY N    N  N N 250 
MLY CA   C  N S 251 
MLY CB   C  N N 252 
MLY CG   C  N N 253 
MLY CD   C  N N 254 
MLY CE   C  N N 255 
MLY NZ   N  N N 256 
MLY CH1  C  N N 257 
MLY CH2  C  N N 258 
MLY C    C  N N 259 
MLY O    O  N N 260 
MLY OXT  O  N N 261 
MLY H    H  N N 262 
MLY H2   H  N N 263 
MLY HA   H  N N 264 
MLY HB2  H  N N 265 
MLY HB3  H  N N 266 
MLY HG2  H  N N 267 
MLY HG3  H  N N 268 
MLY HD2  H  N N 269 
MLY HD3  H  N N 270 
MLY HE2  H  N N 271 
MLY HE3  H  N N 272 
MLY HH11 H  N N 273 
MLY HH12 H  N N 274 
MLY HH13 H  N N 275 
MLY HH21 H  N N 276 
MLY HH22 H  N N 277 
MLY HH23 H  N N 278 
MLY HXT  H  N N 279 
PRO N    N  N N 280 
PRO CA   C  N S 281 
PRO C    C  N N 282 
PRO O    O  N N 283 
PRO CB   C  N N 284 
PRO CG   C  N N 285 
PRO CD   C  N N 286 
PRO OXT  O  N N 287 
PRO H    H  N N 288 
PRO HA   H  N N 289 
PRO HB2  H  N N 290 
PRO HB3  H  N N 291 
PRO HG2  H  N N 292 
PRO HG3  H  N N 293 
PRO HD2  H  N N 294 
PRO HD3  H  N N 295 
PRO HXT  H  N N 296 
SER N    N  N N 297 
SER CA   C  N S 298 
SER C    C  N N 299 
SER O    O  N N 300 
SER CB   C  N N 301 
SER OG   O  N N 302 
SER OXT  O  N N 303 
SER H    H  N N 304 
SER H2   H  N N 305 
SER HA   H  N N 306 
SER HB2  H  N N 307 
SER HB3  H  N N 308 
SER HG   H  N N 309 
SER HXT  H  N N 310 
THR N    N  N N 311 
THR CA   C  N S 312 
THR C    C  N N 313 
THR O    O  N N 314 
THR CB   C  N R 315 
THR OG1  O  N N 316 
THR CG2  C  N N 317 
THR OXT  O  N N 318 
THR H    H  N N 319 
THR H2   H  N N 320 
THR HA   H  N N 321 
THR HB   H  N N 322 
THR HG1  H  N N 323 
THR HG21 H  N N 324 
THR HG22 H  N N 325 
THR HG23 H  N N 326 
THR HXT  H  N N 327 
TRP N    N  N N 328 
TRP CA   C  N S 329 
TRP C    C  N N 330 
TRP O    O  N N 331 
TRP CB   C  N N 332 
TRP CG   C  Y N 333 
TRP CD1  C  Y N 334 
TRP CD2  C  Y N 335 
TRP NE1  N  Y N 336 
TRP CE2  C  Y N 337 
TRP CE3  C  Y N 338 
TRP CZ2  C  Y N 339 
TRP CZ3  C  Y N 340 
TRP CH2  C  Y N 341 
TRP OXT  O  N N 342 
TRP H    H  N N 343 
TRP H2   H  N N 344 
TRP HA   H  N N 345 
TRP HB2  H  N N 346 
TRP HB3  H  N N 347 
TRP HD1  H  N N 348 
TRP HE1  H  N N 349 
TRP HE3  H  N N 350 
TRP HZ2  H  N N 351 
TRP HZ3  H  N N 352 
TRP HH2  H  N N 353 
TRP HXT  H  N N 354 
TYR N    N  N N 355 
TYR CA   C  N S 356 
TYR C    C  N N 357 
TYR O    O  N N 358 
TYR CB   C  N N 359 
TYR CG   C  Y N 360 
TYR CD1  C  Y N 361 
TYR CD2  C  Y N 362 
TYR CE1  C  Y N 363 
TYR CE2  C  Y N 364 
TYR CZ   C  Y N 365 
TYR OH   O  N N 366 
TYR OXT  O  N N 367 
TYR H    H  N N 368 
TYR H2   H  N N 369 
TYR HA   H  N N 370 
TYR HB2  H  N N 371 
TYR HB3  H  N N 372 
TYR HD1  H  N N 373 
TYR HD2  H  N N 374 
TYR HE1  H  N N 375 
TYR HE2  H  N N 376 
TYR HH   H  N N 377 
TYR HXT  H  N N 378 
VAL N    N  N N 379 
VAL CA   C  N S 380 
VAL C    C  N N 381 
VAL O    O  N N 382 
VAL CB   C  N N 383 
VAL CG1  C  N N 384 
VAL CG2  C  N N 385 
VAL OXT  O  N N 386 
VAL H    H  N N 387 
VAL H2   H  N N 388 
VAL HA   H  N N 389 
VAL HB   H  N N 390 
VAL HG11 H  N N 391 
VAL HG12 H  N N 392 
VAL HG13 H  N N 393 
VAL HG21 H  N N 394 
VAL HG22 H  N N 395 
VAL HG23 H  N N 396 
VAL HXT  H  N N 397 
ZN  ZN   ZN N N 398 
# 
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 
MLY N   CA   sing N N 237 
MLY N   H    sing N N 238 
MLY N   H2   sing N N 239 
MLY CA  CB   sing N N 240 
MLY CA  C    sing N N 241 
MLY CA  HA   sing N N 242 
MLY CB  CG   sing N N 243 
MLY CB  HB2  sing N N 244 
MLY CB  HB3  sing N N 245 
MLY CG  CD   sing N N 246 
MLY CG  HG2  sing N N 247 
MLY CG  HG3  sing N N 248 
MLY CD  CE   sing N N 249 
MLY CD  HD2  sing N N 250 
MLY CD  HD3  sing N N 251 
MLY CE  NZ   sing N N 252 
MLY CE  HE2  sing N N 253 
MLY CE  HE3  sing N N 254 
MLY NZ  CH1  sing N N 255 
MLY NZ  CH2  sing N N 256 
MLY CH1 HH11 sing N N 257 
MLY CH1 HH12 sing N N 258 
MLY CH1 HH13 sing N N 259 
MLY CH2 HH21 sing N N 260 
MLY CH2 HH22 sing N N 261 
MLY CH2 HH23 sing N N 262 
MLY C   O    doub N N 263 
MLY C   OXT  sing N N 264 
MLY OXT HXT  sing N N 265 
PRO N   CA   sing N N 266 
PRO N   CD   sing N N 267 
PRO N   H    sing N N 268 
PRO CA  C    sing N N 269 
PRO CA  CB   sing N N 270 
PRO CA  HA   sing N N 271 
PRO C   O    doub N N 272 
PRO C   OXT  sing N N 273 
PRO CB  CG   sing N N 274 
PRO CB  HB2  sing N N 275 
PRO CB  HB3  sing N N 276 
PRO CG  CD   sing N N 277 
PRO CG  HG2  sing N N 278 
PRO CG  HG3  sing N N 279 
PRO CD  HD2  sing N N 280 
PRO CD  HD3  sing N N 281 
PRO OXT HXT  sing N N 282 
SER N   CA   sing N N 283 
SER N   H    sing N N 284 
SER N   H2   sing N N 285 
SER CA  C    sing N N 286 
SER CA  CB   sing N N 287 
SER CA  HA   sing N N 288 
SER C   O    doub N N 289 
SER C   OXT  sing N N 290 
SER CB  OG   sing N N 291 
SER CB  HB2  sing N N 292 
SER CB  HB3  sing N N 293 
SER OG  HG   sing N N 294 
SER OXT HXT  sing N N 295 
THR N   CA   sing N N 296 
THR N   H    sing N N 297 
THR N   H2   sing N N 298 
THR CA  C    sing N N 299 
THR CA  CB   sing N N 300 
THR CA  HA   sing N N 301 
THR C   O    doub N N 302 
THR C   OXT  sing N N 303 
THR CB  OG1  sing N N 304 
THR CB  CG2  sing N N 305 
THR CB  HB   sing N N 306 
THR OG1 HG1  sing N N 307 
THR CG2 HG21 sing N N 308 
THR CG2 HG22 sing N N 309 
THR CG2 HG23 sing N N 310 
THR OXT HXT  sing N N 311 
TRP N   CA   sing N N 312 
TRP N   H    sing N N 313 
TRP N   H2   sing N N 314 
TRP CA  C    sing N N 315 
TRP CA  CB   sing N N 316 
TRP CA  HA   sing N N 317 
TRP C   O    doub N N 318 
TRP C   OXT  sing N N 319 
TRP CB  CG   sing N N 320 
TRP CB  HB2  sing N N 321 
TRP CB  HB3  sing N N 322 
TRP CG  CD1  doub Y N 323 
TRP CG  CD2  sing Y N 324 
TRP CD1 NE1  sing Y N 325 
TRP CD1 HD1  sing N N 326 
TRP CD2 CE2  doub Y N 327 
TRP CD2 CE3  sing Y N 328 
TRP NE1 CE2  sing Y N 329 
TRP NE1 HE1  sing N N 330 
TRP CE2 CZ2  sing Y N 331 
TRP CE3 CZ3  doub Y N 332 
TRP CE3 HE3  sing N N 333 
TRP CZ2 CH2  doub Y N 334 
TRP CZ2 HZ2  sing N N 335 
TRP CZ3 CH2  sing Y N 336 
TRP CZ3 HZ3  sing N N 337 
TRP CH2 HH2  sing N N 338 
TRP OXT HXT  sing N N 339 
TYR N   CA   sing N N 340 
TYR N   H    sing N N 341 
TYR N   H2   sing N N 342 
TYR CA  C    sing N N 343 
TYR CA  CB   sing N N 344 
TYR CA  HA   sing N N 345 
TYR C   O    doub N N 346 
TYR C   OXT  sing N N 347 
TYR CB  CG   sing N N 348 
TYR CB  HB2  sing N N 349 
TYR CB  HB3  sing N N 350 
TYR CG  CD1  doub Y N 351 
TYR CG  CD2  sing Y N 352 
TYR CD1 CE1  sing Y N 353 
TYR CD1 HD1  sing N N 354 
TYR CD2 CE2  doub Y N 355 
TYR CD2 HD2  sing N N 356 
TYR CE1 CZ   doub Y N 357 
TYR CE1 HE1  sing N N 358 
TYR CE2 CZ   sing Y N 359 
TYR CE2 HE2  sing N N 360 
TYR CZ  OH   sing N N 361 
TYR OH  HH   sing N N 362 
TYR OXT HXT  sing N N 363 
VAL N   CA   sing N N 364 
VAL N   H    sing N N 365 
VAL N   H2   sing N N 366 
VAL CA  C    sing N N 367 
VAL CA  CB   sing N N 368 
VAL CA  HA   sing N N 369 
VAL C   O    doub N N 370 
VAL C   OXT  sing N N 371 
VAL CB  CG1  sing N N 372 
VAL CB  CG2  sing N N 373 
VAL CB  HB   sing N N 374 
VAL CG1 HG11 sing N N 375 
VAL CG1 HG12 sing N N 376 
VAL CG1 HG13 sing N N 377 
VAL CG2 HG21 sing N N 378 
VAL CG2 HG22 sing N N 379 
VAL CG2 HG23 sing N N 380 
VAL OXT HXT  sing N N 381 
# 
_pdbx_audit_support.funding_organization   'National Institutes of Health/National Cancer Institute (NIH/NCI)' 
_pdbx_audit_support.country                'United States' 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_space_group.name_H-M_alt     'P 43' 
_space_group.name_Hall        'P 4cw' 
_space_group.IT_number        78 
_space_group.crystal_system   tetragonal 
_space_group.id               1 
# 
_atom_sites.entry_id                    8VLD 
_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]   0.020016 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.020016 
_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]   0.021716 
_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 
_atom_type.scat_dispersion_real 
_atom_type.scat_dispersion_imag 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
_atom_type.scat_source 
_atom_type.scat_dispersion_source 
C  ? ? 3.54356  2.42580 ? ? 25.62398 1.50364  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
N  ? ? 4.01032  2.96436 ? ? 19.97189 1.75589  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O  ? ? 4.49882  3.47563 ? ? 15.80542 1.70748  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
S  ? ? 9.55732  6.39887 ? ? 1.23737  29.19336 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
ZN ? ? 24.64596 5.25405 ? ? 2.14387  29.76375 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
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   . GLY A 1 1  ? 26.94699 35.31079 17.38489 0.440 27.05416 ? 1   GLY A N   1 
ATOM   2    C  CA  . GLY A 1 1  ? 27.57562 35.34073 18.69333 0.550 33.05332 ? 1   GLY A CA  1 
ATOM   3    C  C   . GLY A 1 1  ? 26.66331 35.85390 19.78809 0.620 31.46187 ? 1   GLY A C   1 
ATOM   4    O  O   . GLY A 1 1  ? 25.55550 36.30960 19.50424 0.620 25.07701 ? 1   GLY A O   1 
ATOM   5    N  N   . PRO A 1 2  ? 27.12436 35.77254 21.03999 0.620 30.86382 ? 2   PRO A N   1 
ATOM   6    C  CA  . PRO A 1 2  ? 26.29658 36.23484 22.16742 0.760 34.84124 ? 2   PRO A CA  1 
ATOM   7    C  C   . PRO A 1 2  ? 25.83231 37.67200 22.03891 0.790 32.69209 ? 2   PRO A C   1 
ATOM   8    O  O   . PRO A 1 2  ? 24.78003 38.03064 22.58385 0.410 30.82179 ? 2   PRO A O   1 
ATOM   9    C  CB  . PRO A 1 2  ? 27.23471 36.05786 23.36804 0.460 30.10997 ? 2   PRO A CB  1 
ATOM   10   C  CG  . PRO A 1 2  ? 28.11625 34.92079 22.96693 0.820 27.00649 ? 2   PRO A CG  1 
ATOM   11   C  CD  . PRO A 1 2  ? 28.34242 35.07959 21.49365 0.640 25.60348 ? 2   PRO A CD  1 
ATOM   12   N  N   . LEU A 1 3  ? 26.59119 38.50645 21.33339 0.460 31.02779 ? 3   LEU A N   1 
ATOM   13   C  CA  . LEU A 1 3  ? 26.25089 39.90786 21.14694 1.000 36.17619 ? 3   LEU A CA  1 
ATOM   14   C  C   . LEU A 1 3  ? 25.29670 40.12135 19.97667 0.100 28.68035 ? 3   LEU A C   1 
ATOM   15   O  O   . LEU A 1 3  ? 24.77663 41.23076 19.81389 0.690 25.79565 ? 3   LEU A O   1 
ATOM   16   C  CB  . LEU A 1 3  ? 27.53310 40.72269 20.91811 0.410 33.36177 ? 3   LEU A CB  1 
ATOM   17   C  CG  . LEU A 1 3  ? 28.36230 41.19703 22.11996 0.080 30.86661 ? 3   LEU A CG  1 
ATOM   18   C  CD1 . LEU A 1 3  ? 29.76591 41.60712 21.66323 0.710 39.59077 ? 3   LEU A CD1 1 
ATOM   19   C  CD2 . LEU A 1 3  ? 27.69813 42.32050 22.90173 0.830 42.95096 ? 3   LEU A CD2 1 
ATOM   20   N  N   . ASP A 1 4  ? 25.05819 39.08872 19.16707 0.650 25.27353 ? 4   ASP A N   1 
ATOM   21   C  CA  . ASP A 1 4  ? 24.22946 39.17726 17.96916 0.850 25.00461 ? 4   ASP A CA  1 
ATOM   22   C  C   . ASP A 1 4  ? 22.82599 38.67176 18.28093 0.860 27.05537 ? 4   ASP A C   1 
ATOM   23   O  O   . ASP A 1 4  ? 22.63571 37.48030 18.55020 0.450 25.04121 ? 4   ASP A O   1 
ATOM   24   C  CB  . ASP A 1 4  ? 24.83455 38.35994 16.82886 1.000 26.39673 ? 4   ASP A CB  1 
ATOM   25   C  CG  . ASP A 1 4  ? 26.17174 38.89026 16.37457 0.410 25.10564 ? 4   ASP A CG  1 
ATOM   26   O  OD1 . ASP A 1 4  ? 26.32809 40.12625 16.29632 0.550 26.68806 ? 4   ASP A OD1 1 
ATOM   27   O  OD2 . ASP A 1 4  ? 27.06082 38.06397 16.08560 0.640 29.60332 ? 4   ASP A OD2 1 
ATOM   28   N  N   . VAL A 1 5  ? 21.85008 39.56774 18.22649 0.830 22.86534 ? 5   VAL A N   1 
ATOM   29   C  CA  . VAL A 1 5  ? 20.48396 39.25628 18.63124 0.740 20.61004 ? 5   VAL A CA  1 
ATOM   30   C  C   . VAL A 1 5  ? 19.75569 38.61200 17.45875 0.700 18.34931 ? 5   VAL A C   1 
ATOM   31   O  O   . VAL A 1 5  ? 19.64910 39.20848 16.38326 0.850 18.39031 ? 5   VAL A O   1 
ATOM   32   C  CB  . VAL A 1 5  ? 19.74934 40.51788 19.10300 0.750 21.36854 ? 5   VAL A CB  1 
ATOM   33   C  CG1 . VAL A 1 5  ? 18.29706 40.20166 19.39884 1.000 21.99174 ? 5   VAL A CG1 1 
ATOM   34   C  CG2 . VAL A 1 5  ? 20.44551 41.11331 20.32235 1.000 21.70029 ? 5   VAL A CG2 1 
ATOM   35   N  N   . ILE A 1 6  ? 19.24882 37.40041 17.66534 0.770 18.05873 ? 6   ILE A N   1 
ATOM   36   C  CA  . ILE A 1 6  ? 18.38896 36.73046 16.69446 0.650 18.01548 ? 6   ILE A CA  1 
ATOM   37   C  C   . ILE A 1 6  ? 16.94473 36.97330 17.11548 0.580 18.65631 ? 6   ILE A C   1 
ATOM   38   O  O   . ILE A 1 6  ? 16.55701 36.63343 18.23745 0.720 17.49947 ? 6   ILE A O   1 
ATOM   39   C  CB  . ILE A 1 6  ? 18.69266 35.22502 16.61516 0.720 18.19944 ? 6   ILE A CB  1 
ATOM   40   C  CG1 . ILE A 1 6  ? 20.11990 34.97496 16.12029 0.590 18.77523 ? 6   ILE A CG1 1 
ATOM   41   C  CG2 . ILE A 1 6  ? 17.69661 34.52961 15.69918 0.680 18.84507 ? 6   ILE A CG2 1 
ATOM   42   C  CD1 . ILE A 1 6  ? 20.57546 33.53928 16.31601 0.740 20.45166 ? 6   ILE A CD1 1 
ATOM   43   N  N   . ARG A 1 7  ? 16.13965 37.56525 16.23090 0.640 18.12651 ? 7   ARG A N   1 
ATOM   44   C  CA  . ARG A 1 7  ? 14.70464 37.72374 16.49650 0.770 17.59789 ? 7   ARG A CA  1 
ATOM   45   C  C   . ARG A 1 7  ? 13.96650 37.53572 15.17574 0.660 17.85694 ? 7   ARG A C   1 
ATOM   46   O  O   . ARG A 1 7  ? 13.68034 38.50723 14.47217 0.680 17.74522 ? 7   ARG A O   1 
ATOM   47   C  CB  . ARG A 1 7  ? 14.36377 39.06917 17.11987 0.640 17.89212 ? 7   ARG A CB  1 
ATOM   48   C  CG  . ARG A 1 7  ? 12.92670 39.10273 17.62980 0.760 18.93373 ? 7   ARG A CG  1 
ATOM   49   C  CD  . ARG A 1 7  ? 12.37797 40.51262 17.74836 1.000 23.06474 ? 7   ARG A CD  1 
ATOM   50   N  NE  . ARG A 1 7  ? 12.37932 41.21955 16.46800 0.740 19.59897 ? 7   ARG A NE  1 
ATOM   51   C  CZ  . ARG A 1 7  ? 11.50602 40.99833 15.48754 0.470 19.02639 ? 7   ARG A CZ  1 
ATOM   52   N  NH1 . ARG A 1 7  ? 10.55852 40.07962 15.62866 0.920 22.93966 ? 7   ARG A NH1 1 
ATOM   53   N  NH2 . ARG A 1 7  ? 11.58212 41.69301 14.35815 0.710 19.87977 ? 7   ARG A NH2 1 
ATOM   54   N  N   . CYS A 1 8  ? 13.65422 36.28851 14.85571 0.710 18.88957 ? 8   CYS A N   1 
ATOM   55   C  CA  . CYS A 1 8  ? 12.96696 35.95546 13.62085 0.950 18.71551 ? 8   CYS A CA  1 
ATOM   56   C  C   . CYS A 1 8  ? 11.49125 35.70369 13.91108 0.770 19.08006 ? 8   CYS A C   1 
ATOM   57   O  O   . CYS A 1 8  ? 11.09333 35.46480 15.05511 0.640 20.89333 ? 8   CYS A O   1 
ATOM   58   C  CB  . CYS A 1 8  ? 13.60981 34.72944 12.96573 1.000 20.51555 ? 8   CYS A CB  1 
ATOM   59   S  SG  . CYS A 1 8  ? 13.06468 34.42489 11.27451 0.710 19.94577 ? 8   CYS A SG  1 
ATOM   60   N  N   . ILE A 1 9  ? 10.67257 35.75595 12.85554 0.760 24.13795 ? 9   ILE A N   1 
ATOM   61   C  CA  . ILE A 1 9  ? 9.24361  35.52333 13.04828 0.950 22.85461 ? 9   ILE A CA  1 
ATOM   62   C  C   . ILE A 1 9  ? 8.99262  34.10298 13.53020 0.540 23.09239 ? 9   ILE A C   1 
ATOM   63   O  O   . ILE A 1 9  ? 7.97684  33.83184 14.18101 0.550 20.52782 ? 9   ILE A O   1 
ATOM   64   C  CB  . ILE A 1 9  ? 8.45380  35.79881 11.75792 0.810 22.07575 ? 9   ILE A CB  1 
ATOM   65   C  CG1 . ILE A 1 9  ? 9.09841  35.08265 10.57775 0.630 21.40672 ? 9   ILE A CG1 1 
ATOM   66   C  CG2 . ILE A 1 9  ? 8.38141  37.29200 11.48817 0.330 21.43168 ? 9   ILE A CG2 1 
ATOM   67   C  CD1 . ILE A 1 9  ? 8.27230  35.15701 9.32107  0.530 27.62057 ? 9   ILE A CD1 1 
ATOM   68   N  N   . CYS A 1 10 ? 9.89653  33.17028 13.21401 0.590 21.57858 ? 10  CYS A N   1 
ATOM   69   C  CA  . CYS A 1 10 ? 9.72486  31.80090 13.68572 0.700 26.17437 ? 10  CYS A CA  1 
ATOM   70   C  C   . CYS A 1 10 ? 9.90688  31.69037 15.19056 0.730 24.41344 ? 10  CYS A C   1 
ATOM   71   O  O   . CYS A 1 10 ? 9.45505  30.70739 15.78778 0.640 25.11246 ? 10  CYS A O   1 
ATOM   72   C  CB  . CYS A 1 10 ? 10.70407 30.85691 12.98635 0.740 24.18178 ? 10  CYS A CB  1 
ATOM   73   S  SG  . CYS A 1 10 ? 12.43898 31.15714 13.36844 0.820 27.49861 ? 10  CYS A SG  1 
ATOM   74   N  N   . GLY A 1 11 ? 10.56366 32.66601 15.81175 0.700 20.02482 ? 11  GLY A N   1 
ATOM   75   C  CA  . GLY A 1 11 ? 10.73965 32.65250 17.24695 0.760 24.57970 ? 11  GLY A CA  1 
ATOM   76   C  C   . GLY A 1 11 ? 11.74336 31.65282 17.76604 0.700 24.90918 ? 11  GLY A C   1 
ATOM   77   O  O   . GLY A 1 11 ? 11.84074 31.47290 18.98197 0.800 25.03923 ? 11  GLY A O   1 
ATOM   78   N  N   . LEU A 1 12 ? 12.49430 30.99327 16.89092 0.810 24.80523 ? 12  LEU A N   1 
ATOM   79   C  CA  . LEU A 1 12 ? 13.54635 30.07643 17.30856 1.000 26.42062 ? 12  LEU A CA  1 
ATOM   80   C  C   . LEU A 1 12 ? 14.87402 30.81250 17.36600 0.820 26.89017 ? 12  LEU A C   1 
ATOM   81   O  O   . LEU A 1 12 ? 15.28552 31.44369 16.38751 0.800 20.31085 ? 12  LEU A O   1 
ATOM   82   C  CB  . LEU A 1 12 ? 13.65994 28.88180 16.36224 1.000 28.27000 ? 12  LEU A CB  1 
ATOM   83   C  CG  . LEU A 1 12 ? 12.51112 27.88022 16.33699 1.000 45.91653 ? 12  LEU A CG  1 
ATOM   84   C  CD1 . LEU A 1 12 ? 12.82079 26.78840 15.31124 1.000 43.06455 ? 12  LEU A CD1 1 
ATOM   85   C  CD2 . LEU A 1 12 ? 12.32125 27.27754 17.73283 1.000 39.56085 ? 12  LEU A CD2 1 
ATOM   86   N  N   . TYR A 1 13 ? 15.54801 30.70827 18.50721 0.730 22.01065 ? 13  TYR A N   1 
ATOM   87   C  CA  . TYR A 1 13 ? 16.83185 31.37106 18.70853 1.000 26.49564 ? 13  TYR A CA  1 
ATOM   88   C  C   . TYR A 1 13 ? 17.96056 30.45323 18.24912 0.810 26.58719 ? 13  TYR A C   1 
ATOM   89   O  O   . TYR A 1 13 ? 18.72592 29.90030 19.04045 0.430 24.48647 ? 13  TYR A O   1 
ATOM   90   C  CB  . TYR A 1 13 ? 16.99585 31.77650 20.16662 1.000 25.91358 ? 13  TYR A CB  1 
ATOM   91   C  CG  . TYR A 1 13 ? 17.92128 32.94638 20.32854 0.700 23.08985 ? 13  TYR A CG  1 
ATOM   92   C  CD1 . TYR A 1 13 ? 19.29656 32.78739 20.23605 0.670 26.88290 ? 13  TYR A CD1 1 
ATOM   93   C  CD2 . TYR A 1 13 ? 17.41865 34.22070 20.52360 0.650 22.78710 ? 13  TYR A CD2 1 
ATOM   94   C  CE1 . TYR A 1 13 ? 20.14661 33.86465 20.37249 0.700 27.99337 ? 13  TYR A CE1 1 
ATOM   95   C  CE2 . TYR A 1 13 ? 18.25477 35.29813 20.65661 0.760 22.80260 ? 13  TYR A CE2 1 
ATOM   96   C  CZ  . TYR A 1 13 ? 19.61676 35.11959 20.58405 0.650 24.07955 ? 13  TYR A CZ  1 
ATOM   97   O  OH  . TYR A 1 13 ? 20.44511 36.20838 20.71712 0.910 27.34881 ? 13  TYR A OH  1 
ATOM   98   N  N   . LYS A 1 14 ? 18.06604 30.30091 16.93090 0.750 24.56760 ? 14  LYS A N   1 
ATOM   99   C  CA  . LYS A 1 14 ? 19.09832 29.41489 16.42796 0.530 26.51913 ? 14  LYS A CA  1 
ATOM   100  C  C   . LYS A 1 14 ? 19.74344 29.98514 15.17640 0.320 26.09930 ? 14  LYS A C   1 
ATOM   101  O  O   . LYS A 1 14 ? 19.08411 30.58288 14.31733 0.830 26.76653 ? 14  LYS A O   1 
ATOM   102  C  CB  . LYS A 1 14 ? 18.54307 27.99879 16.21505 0.560 32.06365 ? 14  LYS A CB  1 
ATOM   103  C  CG  . LYS A 1 14 ? 17.53657 27.76533 15.11542 0.870 34.73132 ? 14  LYS A CG  1 
ATOM   104  C  CD  . LYS A 1 14 ? 17.59077 26.27050 14.81692 0.680 33.34109 ? 14  LYS A CD  1 
ATOM   105  C  CE  . LYS A 1 14 ? 16.83726 25.83046 13.58894 0.570 33.28009 ? 14  LYS A CE  1 
ATOM   106  N  NZ  . LYS A 1 14 ? 17.47455 24.58074 13.05793 0.640 36.03821 ? 14  LYS A NZ  1 
ATOM   107  N  N   . ASP A 1 15 ? 21.05952 29.81703 15.12286 0.720 27.38139 ? 15  ASP A N   1 
ATOM   108  C  CA  . ASP A 1 15 ? 21.91824 30.35886 14.07673 0.820 30.95754 ? 15  ASP A CA  1 
ATOM   109  C  C   . ASP A 1 15 ? 22.16870 29.24986 13.06226 0.610 38.28040 ? 15  ASP A C   1 
ATOM   110  O  O   . ASP A 1 15 ? 23.16969 28.53583 13.12774 0.450 36.15701 ? 15  ASP A O   1 
ATOM   111  C  CB  . ASP A 1 15 ? 23.20697 30.87831 14.70915 0.790 30.58036 ? 15  ASP A CB  1 
ATOM   112  C  CG  . ASP A 1 15 ? 24.18039 31.45482 13.70589 0.540 31.69859 ? 15  ASP A CG  1 
ATOM   113  O  OD1 . ASP A 1 15 ? 23.75415 31.88907 12.61555 0.560 26.92932 ? 15  ASP A OD1 1 
ATOM   114  O  OD2 . ASP A 1 15 ? 25.38675 31.48512 14.02868 0.450 29.82681 ? 15  ASP A OD2 1 
ATOM   115  N  N   . GLU A 1 16 ? 21.23319 29.07472 12.12185 0.850 36.01897 ? 16  GLU A N   1 
ATOM   116  C  CA  . GLU A 1 16 ? 21.46877 28.19089 10.99128 0.680 32.70288 ? 16  GLU A CA  1 
ATOM   117  C  C   . GLU A 1 16 ? 21.13640 28.91424 9.69792  0.550 31.97224 ? 16  GLU A C   1 
ATOM   118  O  O   . GLU A 1 16 ? 20.30725 29.82941 9.67199  0.630 25.98340 ? 16  GLU A O   1 
ATOM   119  C  CB  . GLU A 1 16 ? 20.61541 26.91994 10.94998 0.470 37.76468 ? 16  GLU A CB  1 
ATOM   120  C  CG  . GLU A 1 16 ? 19.14181 27.18909 10.68627 0.390 37.69214 ? 16  GLU A CG  1 
ATOM   121  C  CD  . GLU A 1 16 ? 18.32652 25.92622 10.65273 0.330 39.12711 ? 16  GLU A CD  1 
ATOM   122  O  OE1 . GLU A 1 16 ? 18.90580 24.83882 10.86800 0.290 39.40299 ? 16  GLU A OE1 1 
ATOM   123  O  OE2 . GLU A 1 16 ? 17.11009 26.00607 10.37767 0.510 44.49671 ? 16  GLU A OE2 1 
ATOM   124  N  N   . GLY A 1 17 ? 21.74515 28.43801 8.62072  0.750 27.78140 ? 17  GLY A N   1 
ATOM   125  C  CA  . GLY A 1 17 ? 21.37515 28.87155 7.29932  0.820 29.33820 ? 17  GLY A CA  1 
ATOM   126  C  C   . GLY A 1 17 ? 21.73741 30.32022 7.03564  1.000 28.26237 ? 17  GLY A C   1 
ATOM   127  O  O   . GLY A 1 17 ? 22.50169 30.96039 7.75713  0.530 27.38680 ? 17  GLY A O   1 
ATOM   128  N  N   . LEU A 1 18 ? 21.15530 30.83591 5.96388  0.550 27.19415 ? 18  LEU A N   1 
ATOM   129  C  CA  . LEU A 1 18 ? 21.40912 32.20760 5.56068  0.820 27.99741 ? 18  LEU A CA  1 
ATOM   130  C  C   . LEU A 1 18 ? 20.51276 33.12543 6.38158  1.000 28.04231 ? 18  LEU A C   1 
ATOM   131  O  O   . LEU A 1 18 ? 19.28478 32.97972 6.37269  0.710 25.34588 ? 18  LEU A O   1 
ATOM   132  C  CB  . LEU A 1 18 ? 21.15310 32.36740 4.06496  0.600 33.85661 ? 18  LEU A CB  1 
ATOM   133  C  CG  . LEU A 1 18 ? 21.85217 33.51495 3.33877  0.770 30.99839 ? 18  LEU A CG  1 
ATOM   134  C  CD1 . LEU A 1 18 ? 23.31689 33.56707 3.73716  0.560 33.01662 ? 18  LEU A CD1 1 
ATOM   135  C  CD2 . LEU A 1 18 ? 21.71816 33.31981 1.84327  0.200 34.60645 ? 18  LEU A CD2 1 
ATOM   136  N  N   . MET A 1 19 ? 21.11926 34.04542 7.11754  0.730 24.31301 ? 19  MET A N   1 
ATOM   137  C  CA  . MET A 1 19 ? 20.35968 35.02606 7.86821  0.570 22.53053 ? 19  MET A CA  1 
ATOM   138  C  C   . MET A 1 19 ? 20.75711 36.43465 7.45495  0.600 21.09760 ? 19  MET A C   1 
ATOM   139  O  O   . MET A 1 19 ? 21.82954 36.66688 6.89215  0.570 23.36721 ? 19  MET A O   1 
ATOM   140  C  CB  . MET A 1 19 ? 20.52040 34.84070 9.38394  1.000 24.88727 ? 19  MET A CB  1 
ATOM   141  C  CG  . MET A 1 19 ? 20.38327 33.39546 9.85276  0.740 21.42951 ? 19  MET A CG  1 
ATOM   142  S  SD  . MET A 1 19 ? 20.80310 33.17495 11.59184 0.510 19.14946 ? 19  MET A SD  1 
ATOM   143  C  CE  . MET A 1 19 ? 19.60510 34.26282 12.34206 0.650 23.67641 ? 19  MET A CE  1 
ATOM   144  N  N   . ILE A 1 20 ? 19.85938 37.37185 7.74016  0.700 20.50201 ? 20  ILE A N   1 
ATOM   145  C  CA  . ILE A 1 20 ? 19.96916 38.74662 7.27691  0.560 22.33255 ? 20  ILE A CA  1 
ATOM   146  C  C   . ILE A 1 20 ? 19.66436 39.67629 8.44442  0.520 20.27594 ? 20  ILE A C   1 
ATOM   147  O  O   . ILE A 1 20 ? 18.86414 39.35298 9.32760  0.730 20.97568 ? 20  ILE A O   1 
ATOM   148  C  CB  . ILE A 1 20 ? 19.01220 38.99479 6.09014  0.950 23.25917 ? 20  ILE A CB  1 
ATOM   149  C  CG1 . ILE A 1 20 ? 19.21676 40.38395 5.49531  0.890 22.28590 ? 20  ILE A CG1 1 
ATOM   150  C  CG2 . ILE A 1 20 ? 17.57076 38.80854 6.53635  1.000 23.08117 ? 20  ILE A CG2 1 
ATOM   151  C  CD1 . ILE A 1 20 ? 18.65591 40.51723 4.08899  0.870 20.74720 ? 20  ILE A CD1 1 
ATOM   152  N  N   . GLN A 1 21 ? 20.30923 40.83751 8.44649  0.650 21.18752 ? 21  GLN A N   1 
ATOM   153  C  CA  . GLN A 1 21 ? 20.21887 41.77944 9.55302  0.900 24.84011 ? 21  GLN A CA  1 
ATOM   154  C  C   . GLN A 1 21 ? 19.34848 42.97309 9.18653  1.000 26.71833 ? 21  GLN A C   1 
ATOM   155  O  O   . GLN A 1 21 ? 19.47246 43.53098 8.09017  0.610 24.71503 ? 21  GLN A O   1 
ATOM   156  C  CB  . GLN A 1 21 ? 21.60754 42.26002 9.96470  0.800 25.62105 ? 21  GLN A CB  1 
ATOM   157  C  CG  . GLN A 1 21 ? 21.58060 43.21932 11.13061 1.000 25.06411 ? 21  GLN A CG  1 
ATOM   158  C  CD  . GLN A 1 21 ? 22.95866 43.50803 11.66620 0.470 30.34000 ? 21  GLN A CD  1 
ATOM   159  O  OE1 . GLN A 1 21 ? 23.89327 43.76122 10.90563 0.770 28.31142 ? 21  GLN A OE1 1 
ATOM   160  N  NE2 . GLN A 1 21 ? 23.09543 43.47701 12.98171 1.000 28.63055 ? 21  GLN A NE2 1 
ATOM   161  N  N   . CYS A 1 22 ? 18.46735 43.35425 10.10831 1.000 20.39917 ? 22  CYS A N   1 
ATOM   162  C  CA  . CYS A 1 22 ? 17.70416 44.58418 9.95856  0.680 28.42485 ? 22  CYS A CA  1 
ATOM   163  C  C   . CYS A 1 22 ? 18.62390 45.79721 10.02752 0.590 29.94251 ? 22  CYS A C   1 
ATOM   164  O  O   . CYS A 1 22 ? 19.43271 45.92473 10.95449 0.600 27.52291 ? 22  CYS A O   1 
ATOM   165  C  CB  . CYS A 1 22 ? 16.63667 44.67364 11.04524 1.000 23.75101 ? 22  CYS A CB  1 
ATOM   166  S  SG  . CYS A 1 22 ? 15.59688 46.13265 10.95531 0.670 21.02885 ? 22  CYS A SG  1 
ATOM   167  N  N   . ASP A 1 23 ? 18.48099 46.70095 9.05027  0.840 23.73975 ? 23  ASP A N   1 
ATOM   168  C  CA  . ASP A 1 23 ? 19.34757 47.87399 8.99566  0.760 26.72215 ? 23  ASP A CA  1 
ATOM   169  C  C   . ASP A 1 23 ? 19.13864 48.79093 10.19895 0.670 27.31594 ? 23  ASP A C   1 
ATOM   170  O  O   . ASP A 1 23 ? 20.09317 49.40038 10.69414 0.570 28.28615 ? 23  ASP A O   1 
ATOM   171  C  CB  . ASP A 1 23 ? 19.11884 48.64690 7.69327  0.720 31.87460 ? 23  ASP A CB  1 
ATOM   172  C  CG  . ASP A 1 23 ? 19.44338 47.82621 6.45405  0.720 34.56193 ? 23  ASP A CG  1 
ATOM   173  O  OD1 . ASP A 1 23 ? 20.52320 47.19044 6.45324  0.720 30.41912 ? 23  ASP A OD1 1 
ATOM   174  O  OD2 . ASP A 1 23 ? 18.69475 47.88309 5.44602  0.840 35.37093 ? 23  ASP A OD2 1 
ATOM   175  N  N   . LYS A 1 24 ? 17.89491 48.91905 10.67309 0.490 30.04988 ? 24  LYS A N   1 
ATOM   176  C  CA  . LYS A 1 24 ? 17.57646 49.72219 11.86684 1.000 26.28563 ? 24  LYS A CA  1 
ATOM   177  C  C   . LYS A 1 24 ? 17.93227 49.05405 13.19067 0.710 26.47062 ? 24  LYS A C   1 
ATOM   178  O  O   . LYS A 1 24 ? 18.86485 49.47755 13.87317 0.550 22.02613 ? 24  LYS A O   1 
ATOM   179  C  CB  . LYS A 1 24 ? 16.09305 50.10872 11.84355 0.580 25.36694 ? 24  LYS A CB  1 
ATOM   180  C  CG  . LYS A 1 24 ? 15.67199 50.98067 10.68876 0.240 29.46042 ? 24  LYS A CG  1 
ATOM   181  C  CD  . LYS A 1 24 ? 16.20468 52.42059 10.89006 0.700 31.37246 ? 24  LYS A CD  1 
ATOM   182  C  CE  . LYS A 1 24 ? 17.50309 52.77399 10.27264 0.520 28.11093 ? 24  LYS A CE  1 
ATOM   183  N  NZ  . LYS A 1 24 ? 17.73921 54.22143 10.51984 0.410 37.00271 ? 24  LYS A NZ  1 
ATOM   184  N  N   . CYS A 1 25 ? 17.19437 48.02072 13.57735 0.610 25.91306 ? 25  CYS A N   1 
ATOM   185  C  CA  . CYS A 1 25 ? 17.27433 47.51313 14.93917 1.000 27.15846 ? 25  CYS A CA  1 
ATOM   186  C  C   . CYS A 1 25 ? 18.32907 46.43368 15.12738 0.630 24.35743 ? 25  CYS A C   1 
ATOM   187  O  O   . CYS A 1 25 ? 18.50644 45.96054 16.25412 0.600 20.91919 ? 25  CYS A O   1 
ATOM   188  C  CB  . CYS A 1 25 ? 15.90566 46.99499 15.39627 0.590 25.17682 ? 25  CYS A CB  1 
ATOM   189  S  SG  . CYS A 1 25 ? 15.38717 45.44294 14.67098 0.760 24.55075 ? 25  CYS A SG  1 
ATOM   190  N  N   . MET A 1 26 ? 19.03845 46.04325 14.06868 0.680 23.33553 ? 26  MET A N   1 
ATOM   191  C  CA  . MET A 1 26 ? 20.18950 45.13912 14.09301 1.000 24.42323 ? 26  MET A CA  1 
ATOM   192  C  C   . MET A 1 26 ? 19.87096 43.68606 14.43721 0.740 20.17472 ? 26  MET A C   1 
ATOM   193  O  O   . MET A 1 26 ? 20.80565 42.87958 14.49768 0.920 21.68232 ? 26  MET A O   1 
ATOM   194  C  CB  . MET A 1 26 ? 21.29892 45.60634 15.05249 0.610 27.55999 ? 26  MET A CB  1 
ATOM   195  C  CG  . MET A 1 26 ? 21.61714 47.08907 15.00463 0.380 29.91836 ? 26  MET A CG  1 
ATOM   196  S  SD  . MET A 1 26 ? 21.73831 47.66646 13.30780 0.440 29.57527 ? 26  MET A SD  1 
ATOM   197  C  CE  . MET A 1 26 ? 23.43666 47.22865 12.96398 1.000 35.77632 ? 26  MET A CE  1 
ATOM   198  N  N   . VAL A 1 27 ? 18.60799 43.31008 14.65300 0.770 18.93176 ? 27  VAL A N   1 
ATOM   199  C  CA  . VAL A 1 27 ? 18.32840 41.89139 14.88752 1.000 19.91396 ? 27  VAL A CA  1 
ATOM   200  C  C   . VAL A 1 27 ? 18.55561 41.09278 13.60658 0.900 22.67125 ? 27  VAL A C   1 
ATOM   201  O  O   . VAL A 1 27 ? 18.48624 41.61345 12.48568 0.790 21.91415 ? 27  VAL A O   1 
ATOM   202  C  CB  . VAL A 1 27 ? 16.90706 41.66134 15.42539 0.900 22.51184 ? 27  VAL A CB  1 
ATOM   203  C  CG1 . VAL A 1 27 ? 16.67099 42.48535 16.66730 0.650 18.67155 ? 27  VAL A CG1 1 
ATOM   204  C  CG2 . VAL A 1 27 ? 15.86655 41.96381 14.36085 0.890 25.08858 ? 27  VAL A CG2 1 
ATOM   205  N  N   . TRP A 1 28 ? 18.81803 39.80016 13.78453 0.830 18.49084 ? 28  TRP A N   1 
ATOM   206  C  CA  . TRP A 1 28 ? 19.03593 38.86355 12.69225 1.000 22.67216 ? 28  TRP A CA  1 
ATOM   207  C  C   . TRP A 1 28 ? 17.82483 37.95469 12.53717 0.750 19.64829 ? 28  TRP A C   1 
ATOM   208  O  O   . TRP A 1 28 ? 17.18090 37.57506 13.51929 0.700 18.72314 ? 28  TRP A O   1 
ATOM   209  C  CB  . TRP A 1 28 ? 20.28245 38.00785 12.93588 0.790 19.22257 ? 28  TRP A CB  1 
ATOM   210  C  CG  . TRP A 1 28 ? 21.54947 38.77329 12.88819 0.750 25.28549 ? 28  TRP A CG  1 
ATOM   211  C  CD1 . TRP A 1 28 ? 22.14262 39.44758 13.91934 0.630 25.11557 ? 28  TRP A CD1 1 
ATOM   212  C  CD2 . TRP A 1 28 ? 22.40701 38.93597 11.75484 0.650 21.92934 ? 28  TRP A CD2 1 
ATOM   213  N  NE1 . TRP A 1 28 ? 23.31244 40.03108 13.48938 0.670 23.70917 ? 28  TRP A NE1 1 
ATOM   214  C  CE2 . TRP A 1 28 ? 23.49604 39.73099 12.16425 0.590 26.35765 ? 28  TRP A CE2 1 
ATOM   215  C  CE3 . TRP A 1 28 ? 22.35367 38.49594 10.42893 0.730 23.29055 ? 28  TRP A CE3 1 
ATOM   216  C  CZ2 . TRP A 1 28 ? 24.52569 40.08911 11.29559 0.780 25.53011 ? 28  TRP A CZ2 1 
ATOM   217  C  CZ3 . TRP A 1 28 ? 23.37642 38.85115 9.57161  0.590 21.03502 ? 28  TRP A CZ3 1 
ATOM   218  C  CH2 . TRP A 1 28 ? 24.44625 39.63965 10.00688 0.510 24.24913 ? 28  TRP A CH2 1 
ATOM   219  N  N   . GLN A 1 29 ? 17.52944 37.59800 11.29092 0.700 23.14055 ? 29  GLN A N   1 
ATOM   220  C  CA  . GLN A 1 29 ? 16.36299 36.79451 10.95243 0.760 18.63748 ? 29  GLN A CA  1 
ATOM   221  C  C   . GLN A 1 29 ? 16.75436 35.80911 9.86074  0.630 23.27227 ? 29  GLN A C   1 
ATOM   222  O  O   . GLN A 1 29 ? 17.66315 36.07612 9.07474  0.750 20.13747 ? 29  GLN A O   1 
ATOM   223  C  CB  . GLN A 1 29 ? 15.20452 37.68076 10.46882 0.820 19.30946 ? 29  GLN A CB  1 
ATOM   224  C  CG  . GLN A 1 29 ? 14.93058 38.90216 11.35503 0.770 18.27581 ? 29  GLN A CG  1 
ATOM   225  C  CD  . GLN A 1 29 ? 13.55467 39.49062 11.13718 0.630 18.41618 ? 29  GLN A CD  1 
ATOM   226  O  OE1 . GLN A 1 29 ? 13.25286 40.01549 10.06103 0.670 18.48728 ? 29  GLN A OE1 1 
ATOM   227  N  NE2 . GLN A 1 29 ? 12.71402 39.42181 12.16230 0.750 18.25975 ? 29  GLN A NE2 1 
ATOM   228  N  N   . HIS A 1 30 ? 16.06247 34.67119 9.80848  0.740 22.68792 ? 30  HIS A N   1 
ATOM   229  C  CA  . HIS A 1 30 ? 16.32140 33.69120 8.76091  1.000 21.00098 ? 30  HIS A CA  1 
ATOM   230  C  C   . HIS A 1 30 ? 15.69513 34.14424 7.44408  1.000 21.03170 ? 30  HIS A C   1 
ATOM   231  O  O   . HIS A 1 30 ? 14.49706 34.43804 7.38361  0.510 20.05985 ? 30  HIS A O   1 
ATOM   232  C  CB  . HIS A 1 30 ? 15.78762 32.31238 9.15345  1.000 22.43446 ? 30  HIS A CB  1 
ATOM   233  C  CG  . HIS A 1 30 ? 16.12484 31.90143 10.55303 0.790 20.52359 ? 30  HIS A CG  1 
ATOM   234  N  ND1 . HIS A 1 30 ? 15.18128 31.82040 11.55367 0.850 18.99466 ? 30  HIS A ND1 1 
ATOM   235  C  CD2 . HIS A 1 30 ? 17.30261 31.54533 11.11815 0.680 18.91732 ? 30  HIS A CD2 1 
ATOM   236  C  CE1 . HIS A 1 30 ? 15.76023 31.42857 12.67370 0.650 19.01376 ? 30  HIS A CE1 1 
ATOM   237  N  NE2 . HIS A 1 30 ? 17.04863 31.25709 12.43737 0.820 21.23466 ? 30  HIS A NE2 1 
ATOM   238  N  N   . CYS A 1 31 ? 16.51271 34.19128 6.38845  0.830 24.75771 ? 31  CYS A N   1 
ATOM   239  C  CA  . CYS A 1 31 ? 16.01646 34.61211 5.08126  0.880 27.13861 ? 31  CYS A CA  1 
ATOM   240  C  C   . CYS A 1 31 ? 14.84670 33.74632 4.62578  0.400 22.65544 ? 31  CYS A C   1 
ATOM   241  O  O   . CYS A 1 31 ? 13.85374 34.25880 4.09736  0.640 26.71275 ? 31  CYS A O   1 
ATOM   242  C  CB  . CYS A 1 31 ? 17.14521 34.56490 4.05088  0.760 30.81572 ? 31  CYS A CB  1 
ATOM   243  S  SG  . CYS A 1 31 ? 18.49609 35.73057 4.33090  0.590 30.05677 ? 31  CYS A SG  1 
ATOM   244  N  N   . ASP A 1 32 ? 14.94094 32.43088 4.82928  0.700 22.98201 ? 32  ASP A N   1 
ATOM   245  C  CA  . ASP A 1 32 ? 13.85285 31.54311 4.42440  0.460 25.51927 ? 32  ASP A CA  1 
ATOM   246  C  C   . ASP A 1 32 ? 12.55690 31.87483 5.15357  0.770 29.16218 ? 32  ASP A C   1 
ATOM   247  O  O   . ASP A 1 32 ? 11.47905 31.87894 4.54530  0.690 25.76639 ? 32  ASP A O   1 
ATOM   248  C  CB  . ASP A 1 32 ? 14.23951 30.09017 4.67695  1.000 27.49124 ? 32  ASP A CB  1 
ATOM   249  C  CG  . ASP A 1 32 ? 15.24198 29.56926 3.66963  0.260 28.34025 ? 32  ASP A CG  1 
ATOM   250  O  OD1 . ASP A 1 32 ? 15.28854 30.10710 2.54243  0.480 24.35015 ? 32  ASP A OD1 1 
ATOM   251  O  OD2 . ASP A 1 32 ? 15.98330 28.62191 4.00588  0.430 22.09653 ? 32  ASP A OD2 1 
ATOM   252  N  N   . CYS A 1 33 ? 12.63729 32.13296 6.46278  0.820 24.22429 ? 33  CYS A N   1 
ATOM   253  C  CA  . CYS A 1 33 ? 11.44317 32.49534 7.22158  0.770 26.41467 ? 33  CYS A CA  1 
ATOM   254  C  C   . CYS A 1 33 ? 10.85431 33.81545 6.74218  0.820 22.42146 ? 33  CYS A C   1 
ATOM   255  O  O   . CYS A 1 33 ? 9.63119  33.99150 6.75478  0.650 27.54738 ? 33  CYS A O   1 
ATOM   256  C  CB  . CYS A 1 33 ? 11.76510 32.58713 8.71653  0.750 24.98578 ? 33  CYS A CB  1 
ATOM   257  S  SG  . CYS A 1 33 ? 12.37439 31.07701 9.51023  0.650 21.25437 ? 33  CYS A SG  1 
ATOM   258  N  N   . MET A 1 34 ? 11.69963 34.74353 6.31076  0.860 21.90317 ? 34  MET A N   1 
ATOM   259  C  CA  . MET A 1 34 ? 11.27015 36.08958 5.96211  0.880 24.18176 ? 34  MET A CA  1 
ATOM   260  C  C   . MET A 1 34 ? 10.94180 36.24073 4.47901  0.650 29.60329 ? 34  MET A C   1 
ATOM   261  O  O   . MET A 1 34 ? 10.50645 37.31913 4.06266  0.570 29.31365 ? 34  MET A O   1 
ATOM   262  C  CB  . MET A 1 34 ? 12.35757 37.09651 6.35220  0.830 22.70942 ? 34  MET A CB  1 
ATOM   263  C  CG  . MET A 1 34 ? 12.59030 37.24772 7.85884  1.000 22.29859 ? 34  MET A CG  1 
ATOM   264  S  SD  . MET A 1 34 ? 11.11902 37.25777 8.89036  0.530 19.53664 ? 34  MET A SD  1 
ATOM   265  C  CE  . MET A 1 34 ? 10.47856 38.89809 8.58252  0.590 20.71866 ? 34  MET A CE  1 
ATOM   266  N  N   . GLY A 1 35 ? 11.14979 35.19939 3.67663  0.840 27.83165 ? 35  GLY A N   1 
ATOM   267  C  CA  . GLY A 1 35 ? 10.82026 35.26574 2.26093  0.800 33.68437 ? 35  GLY A CA  1 
ATOM   268  C  C   . GLY A 1 35 ? 11.76362 36.10203 1.42593  0.560 30.83411 ? 35  GLY A C   1 
ATOM   269  O  O   . GLY A 1 35 ? 11.34611 36.66522 0.40830  0.410 34.40356 ? 35  GLY A O   1 
ATOM   270  N  N   . VAL A 1 36 ? 13.03276 36.19581 1.82417  0.730 28.83747 ? 36  VAL A N   1 
ATOM   271  C  CA  . VAL A 1 36 ? 14.03131 36.99039 1.12112  1.000 36.87629 ? 36  VAL A CA  1 
ATOM   272  C  C   . VAL A 1 36 ? 15.27149 36.12951 0.92744  1.000 36.87661 ? 36  VAL A C   1 
ATOM   273  O  O   . VAL A 1 36 ? 15.37666 35.02538 1.46043  0.130 33.98518 ? 36  VAL A O   1 
ATOM   274  C  CB  . VAL A 1 36 ? 14.39442 38.28146 1.88335  0.390 33.27158 ? 36  VAL A CB  1 
ATOM   275  C  CG1 . VAL A 1 36 ? 13.21870 39.24574 1.90352  0.590 30.26376 ? 36  VAL A CG1 1 
ATOM   276  C  CG2 . VAL A 1 36 ? 14.84475 37.94363 3.29374  0.820 30.90309 ? 36  VAL A CG2 1 
ATOM   277  N  N   . ASN A 1 37 ? 16.21738 36.64580 0.14343  0.710 45.06147 ? 37  ASN A N   1 
ATOM   278  C  CA  . ASN A 1 37 ? 17.50111 35.98191 -0.03039 0.400 43.30468 ? 37  ASN A CA  1 
ATOM   279  C  C   . ASN A 1 37 ? 18.60768 37.02619 0.03423  1.000 45.13569 ? 37  ASN A C   1 
ATOM   280  O  O   . ASN A 1 37 ? 18.36344 38.21125 0.28170  0.480 42.76042 ? 37  ASN A O   1 
ATOM   281  C  CB  . ASN A 1 37 ? 17.53831 35.14257 -1.32037 0.500 39.68432 ? 37  ASN A CB  1 
ATOM   282  C  CG  . ASN A 1 37 ? 17.37181 35.96854 -2.58779 0.490 43.78695 ? 37  ASN A CG  1 
ATOM   283  O  OD1 . ASN A 1 37 ? 17.96395 37.03615 -2.75186 0.530 41.68336 ? 37  ASN A OD1 1 
ATOM   284  N  ND2 . ASN A 1 37 ? 16.55244 35.46158 -3.50044 0.210 36.92308 ? 37  ASN A ND2 1 
ATOM   285  N  N   . SER A 1 38 ? 19.84201 36.56916 -0.18892 1.000 63.08507 ? 38  SER A N   1 
ATOM   286  C  CA  . SER A 1 38 ? 21.04577 37.33958 0.11612  1.000 53.77287 ? 38  SER A CA  1 
ATOM   287  C  C   . SER A 1 38 ? 21.34187 38.45402 -0.88509 1.000 64.83125 ? 38  SER A C   1 
ATOM   288  O  O   . SER A 1 38 ? 22.38250 39.11485 -0.74437 1.000 70.84173 ? 38  SER A O   1 
ATOM   289  C  CB  . SER A 1 38 ? 22.25210 36.39696 0.19399  1.000 64.24510 ? 38  SER A CB  1 
ATOM   290  O  OG  . SER A 1 38 ? 22.56574 35.85205 -1.08345 1.000 71.37228 ? 38  SER A OG  1 
ATOM   291  N  N   . ASP A 1 39 ? 20.48707 38.69027 -1.88038 0.670 48.13006 ? 39  ASP A N   1 
ATOM   292  C  CA  . ASP A 1 39 ? 20.77954 39.66911 -2.91653 0.490 38.95059 ? 39  ASP A CA  1 
ATOM   293  C  C   . ASP A 1 39 ? 19.99631 40.96911 -2.76503 0.510 33.18268 ? 39  ASP A C   1 
ATOM   294  O  O   . ASP A 1 39 ? 20.05412 41.81396 -3.66151 0.490 34.34160 ? 39  ASP A O   1 
ATOM   295  C  CB  . ASP A 1 39 ? 20.52489 39.06449 -4.29975 0.450 39.85568 ? 39  ASP A CB  1 
ATOM   296  C  CG  . ASP A 1 39 ? 21.54396 38.00064 -4.66908 0.450 45.18905 ? 39  ASP A CG  1 
ATOM   297  O  OD1 . ASP A 1 39 ? 22.41874 37.69141 -3.83064 0.450 42.03028 ? 39  ASP A OD1 1 
ATOM   298  O  OD2 . ASP A 1 39 ? 21.47739 37.48303 -5.80456 0.590 44.37032 ? 39  ASP A OD2 1 
ATOM   299  N  N   . VAL A 1 40 ? 19.27363 41.16297 -1.66176 1.000 32.63896 ? 40  VAL A N   1 
ATOM   300  C  CA  . VAL A 1 40 ? 18.56064 42.42332 -1.47569 1.000 27.58664 ? 40  VAL A CA  1 
ATOM   301  C  C   . VAL A 1 40 ? 19.55004 43.48889 -1.02496 0.420 27.96053 ? 40  VAL A C   1 
ATOM   302  O  O   . VAL A 1 40 ? 20.59174 43.19296 -0.42999 0.520 30.86096 ? 40  VAL A O   1 
ATOM   303  C  CB  . VAL A 1 40 ? 17.39295 42.27996 -0.47718 0.580 30.84838 ? 40  VAL A CB  1 
ATOM   304  C  CG1 . VAL A 1 40 ? 16.45303 41.16009 -0.90689 0.550 34.22952 ? 40  VAL A CG1 1 
ATOM   305  C  CG2 . VAL A 1 40 ? 17.91140 42.06230 0.93423  0.770 24.78069 ? 40  VAL A CG2 1 
ATOM   306  N  N   . GLU A 1 41 ? 19.22777 44.74646 -1.31890 0.790 28.89875 ? 41  GLU A N   1 
ATOM   307  C  CA  . GLU A 1 41 ? 20.13411 45.84331 -1.00037 0.630 25.01224 ? 41  GLU A CA  1 
ATOM   308  C  C   . GLU A 1 41 ? 19.92853 46.38988 0.40902  0.500 26.18557 ? 41  GLU A C   1 
ATOM   309  O  O   . GLU A 1 41 ? 20.90507 46.65316 1.12006  0.760 30.66138 ? 41  GLU A O   1 
ATOM   310  C  CB  . GLU A 1 41 ? 19.97518 46.96099 -2.03253 0.570 34.43819 ? 41  GLU A CB  1 
ATOM   311  C  CG  . GLU A 1 41 ? 21.17636 47.87701 -2.13470 0.810 39.76010 ? 41  GLU A CG  1 
ATOM   312  C  CD  . GLU A 1 41 ? 20.94589 49.03333 -3.08942 0.800 55.17922 ? 41  GLU A CD  1 
ATOM   313  O  OE1 . GLU A 1 41 ? 21.81978 49.92741 -3.13719 0.850 58.05391 ? 41  GLU A OE1 1 
ATOM   314  O  OE2 . GLU A 1 41 ? 19.91426 49.03491 -3.80464 0.450 31.60166 ? 41  GLU A OE2 1 
ATOM   315  N  N   . HIS A 1 42 ? 18.68022 46.56717 0.82704  0.630 27.87704 ? 42  HIS A N   1 
ATOM   316  C  CA  . HIS A 1 42 ? 18.35354 47.05018 2.15885  0.590 30.44372 ? 42  HIS A CA  1 
ATOM   317  C  C   . HIS A 1 42 ? 17.34201 46.10664 2.78972  0.400 25.21886 ? 42  HIS A C   1 
ATOM   318  O  O   . HIS A 1 42 ? 16.48318 45.54957 2.10067  0.550 25.69683 ? 42  HIS A O   1 
ATOM   319  C  CB  . HIS A 1 42 ? 17.78293 48.47303 2.11332  0.600 32.32718 ? 42  HIS A CB  1 
ATOM   320  C  CG  . HIS A 1 42 ? 18.80783 49.52580 1.82752  0.120 33.03619 ? 42  HIS A CG  1 
ATOM   321  N  ND1 . HIS A 1 42 ? 19.74068 49.92883 2.75885  0.460 38.11943 ? 42  HIS A ND1 1 
ATOM   322  C  CD2 . HIS A 1 42 ? 19.05593 50.24820 0.70917  0.610 31.78450 ? 42  HIS A CD2 1 
ATOM   323  C  CE1 . HIS A 1 42 ? 20.51307 50.86102 2.22981  0.380 32.93653 ? 42  HIS A CE1 1 
ATOM   324  N  NE2 . HIS A 1 42 ? 20.11969 51.07227 0.98625  0.390 35.78034 ? 42  HIS A NE2 1 
ATOM   325  N  N   . TYR A 1 43 ? 17.44269 45.92561 4.10577  0.580 23.17778 ? 43  TYR A N   1 
ATOM   326  C  CA  . TYR A 1 43 ? 16.51078 45.04634 4.79996  0.520 22.88857 ? 43  TYR A CA  1 
ATOM   327  C  C   . TYR A 1 43 ? 16.01388 45.70164 6.07701  1.000 21.08705 ? 43  TYR A C   1 
ATOM   328  O  O   . TYR A 1 43 ? 16.80095 46.28945 6.82204  0.570 21.08639 ? 43  TYR A O   1 
ATOM   329  C  CB  . TYR A 1 43 ? 17.14215 43.69419 5.15279  0.570 21.33605 ? 43  TYR A CB  1 
ATOM   330  C  CG  . TYR A 1 43 ? 16.11898 42.76307 5.75437  0.380 20.91151 ? 43  TYR A CG  1 
ATOM   331  C  CD1 . TYR A 1 43 ? 15.12277 42.21508 4.96105  0.860 22.80881 ? 43  TYR A CD1 1 
ATOM   332  C  CD2 . TYR A 1 43 ? 16.10682 42.47798 7.12058  1.000 24.34038 ? 43  TYR A CD2 1 
ATOM   333  C  CE1 . TYR A 1 43 ? 14.16778 41.38695 5.48627  0.530 20.78366 ? 43  TYR A CE1 1 
ATOM   334  C  CE2 . TYR A 1 43 ? 15.14892 41.64190 7.65667  0.480 20.20867 ? 43  TYR A CE2 1 
ATOM   335  C  CZ  . TYR A 1 43 ? 14.18185 41.10205 6.82968  0.660 20.04966 ? 43  TYR A CZ  1 
ATOM   336  O  OH  . TYR A 1 43 ? 13.21454 40.27388 7.33220  0.510 19.56891 ? 43  TYR A OH  1 
ATOM   337  N  N   . LEU A 1 44 ? 14.71196 45.58459 6.32385  0.610 20.77182 ? 44  LEU A N   1 
ATOM   338  C  CA  . LEU A 1 44 ? 14.10816 45.92410 7.60332  0.300 21.31776 ? 44  LEU A CA  1 
ATOM   339  C  C   . LEU A 1 44 ? 13.23701 44.76179 8.04977  0.720 23.78143 ? 44  LEU A C   1 
ATOM   340  O  O   . LEU A 1 44 ? 12.57964 44.11830 7.22601  0.690 21.72367 ? 44  LEU A O   1 
ATOM   341  C  CB  . LEU A 1 44 ? 13.26791 47.20290 7.51838  0.740 23.30020 ? 44  LEU A CB  1 
ATOM   342  C  CG  . LEU A 1 44 ? 14.00202 48.41943 6.95711  0.570 26.42712 ? 44  LEU A CG  1 
ATOM   343  C  CD1 . LEU A 1 44 ? 13.02365 49.51234 6.54943  0.510 24.01344 ? 44  LEU A CD1 1 
ATOM   344  C  CD2 . LEU A 1 44 ? 15.00740 48.92799 7.96830  0.480 29.07408 ? 44  LEU A CD2 1 
ATOM   345  N  N   . CYS A 1 45 ? 13.24022 44.49568 9.35522  1.000 25.20666 ? 45  CYS A N   1 
ATOM   346  C  CA  . CYS A 1 45 ? 12.46177 43.40122 9.91080  0.710 21.44198 ? 45  CYS A CA  1 
ATOM   347  C  C   . CYS A 1 45 ? 10.97368 43.74582 9.89760  0.800 22.52885 ? 45  CYS A C   1 
ATOM   348  O  O   . CYS A 1 45 ? 10.56236 44.85802 9.55953  0.820 26.19436 ? 45  CYS A O   1 
ATOM   349  C  CB  . CYS A 1 45 ? 12.93928 43.07988 11.32512 0.600 19.62481 ? 45  CYS A CB  1 
ATOM   350  S  SG  . CYS A 1 45 ? 12.53040 44.35647 12.52647 0.720 23.32246 ? 45  CYS A SG  1 
ATOM   351  N  N   . GLU A 1 46 ? 10.15424 42.76947 10.28737 0.520 21.12140 ? 46  GLU A N   1 
ATOM   352  C  CA  . GLU A 1 46 ? 8.70398  42.89335 10.23006 0.890 26.30783 ? 46  GLU A CA  1 
ATOM   353  C  C   . GLU A 1 46 ? 8.13065  43.75995 11.34445 1.000 26.41548 ? 46  GLU A C   1 
ATOM   354  O  O   . GLU A 1 46 ? 6.92135  44.01199 11.35008 0.610 25.75632 ? 46  GLU A O   1 
ATOM   355  C  CB  . GLU A 1 46 ? 8.06082  41.50352 10.27021 0.440 27.65206 ? 46  GLU A CB  1 
ATOM   356  C  CG  . GLU A 1 46 ? 7.71340  40.98663 11.66484 0.820 21.35426 ? 46  GLU A CG  1 
ATOM   357  C  CD  . GLU A 1 46 ? 8.92782  40.67531 12.52642 0.820 20.84220 ? 46  GLU A CD  1 
ATOM   358  O  OE1 . GLU A 1 46 ? 10.06958 40.82692 12.05176 0.630 20.24605 ? 46  GLU A OE1 1 
ATOM   359  O  OE2 . GLU A 1 46 ? 8.72891  40.27838 13.69799 0.550 23.69239 ? 46  GLU A OE2 1 
ATOM   360  N  N   . GLN A 1 47 ? 8.95926  44.21841 12.28022 0.670 20.61398 ? 47  GLN A N   1 
ATOM   361  C  CA  . GLN A 1 47 ? 8.53065  45.18147 13.28506 0.640 22.21928 ? 47  GLN A CA  1 
ATOM   362  C  C   . GLN A 1 47 ? 8.89858  46.60856 12.91346 0.630 24.17706 ? 47  GLN A C   1 
ATOM   363  O  O   . GLN A 1 47 ? 8.14872  47.53745 13.23340 0.350 25.52029 ? 47  GLN A O   1 
ATOM   364  C  CB  . GLN A 1 47 ? 9.14145  44.83233 14.64957 0.900 26.04684 ? 47  GLN A CB  1 
ATOM   365  C  CG  . GLN A 1 47 ? 8.60257  43.54286 15.26263 1.000 24.37445 ? 47  GLN A CG  1 
ATOM   366  C  CD  . GLN A 1 47 ? 7.09240  43.56059 15.49218 0.580 25.68709 ? 47  GLN A CD  1 
ATOM   367  O  OE1 . GLN A 1 47 ? 6.51332  44.59619 15.80773 0.480 22.58394 ? 47  GLN A OE1 1 
ATOM   368  N  NE2 . GLN A 1 47 ? 6.45426  42.40112 15.34278 0.730 26.60254 ? 47  GLN A NE2 1 
ATOM   369  N  N   . CYS A 1 48 ? 10.03741 46.79813 12.24655 1.000 25.27991 ? 48  CYS A N   1 
ATOM   370  C  CA  . CYS A 1 48 ? 10.42236 48.10658 11.73811 1.000 25.09328 ? 48  CYS A CA  1 
ATOM   371  C  C   . CYS A 1 48 ? 9.64131  48.48004 10.48617 0.350 26.06715 ? 48  CYS A C   1 
ATOM   372  O  O   . CYS A 1 48 ? 9.51110  49.67010 10.18117 0.380 26.39780 ? 48  CYS A O   1 
ATOM   373  C  CB  . CYS A 1 48 ? 11.92298 48.13315 11.43489 1.000 23.06066 ? 48  CYS A CB  1 
ATOM   374  S  SG  . CYS A 1 48 ? 13.03892 47.99363 12.87287 0.590 19.43842 ? 48  CYS A SG  1 
ATOM   375  N  N   . ASP A 1 49 ? 9.12002  47.48646 9.76770  0.660 28.00866 ? 49  ASP A N   1 
ATOM   376  C  CA  . ASP A 1 49 ? 8.37635  47.69406 8.52476  1.000 35.65154 ? 49  ASP A CA  1 
ATOM   377  C  C   . ASP A 1 49 ? 7.25584  46.66369 8.48777  0.640 28.38479 ? 49  ASP A C   1 
ATOM   378  O  O   . ASP A 1 49 ? 7.35139  45.64317 7.79398  0.850 29.13431 ? 49  ASP A O   1 
ATOM   379  C  CB  . ASP A 1 49 ? 9.30564  47.56760 7.31429  1.000 29.86868 ? 49  ASP A CB  1 
ATOM   380  C  CG  . ASP A 1 49 ? 8.62394  47.90273 5.99933  0.580 33.67790 ? 49  ASP A CG  1 
ATOM   381  O  OD1 . ASP A 1 49 ? 7.53907  48.51927 6.00984  0.510 33.19963 ? 49  ASP A OD1 1 
ATOM   382  O  OD2 . ASP A 1 49 ? 9.19194  47.54939 4.94569  0.780 33.04658 ? 49  ASP A OD2 1 
ATOM   383  N  N   . PRO A 1 50 ? 6.18233  46.88553 9.25449  0.750 26.63308 ? 50  PRO A N   1 
ATOM   384  C  CA  . PRO A 1 50 ? 5.14174  45.85527 9.38530  0.840 26.77844 ? 50  PRO A CA  1 
ATOM   385  C  C   . PRO A 1 50 ? 4.55374  45.48007 8.03708  0.280 33.32970 ? 50  PRO A C   1 
ATOM   386  O  O   . PRO A 1 50 ? 4.34574  46.33031 7.16935  0.610 32.34644 ? 50  PRO A O   1 
ATOM   387  C  CB  . PRO A 1 50 ? 4.08832  46.50733 10.28899 0.600 34.26267 ? 50  PRO A CB  1 
ATOM   388  C  CG  . PRO A 1 50 ? 4.72320  47.69083 10.89731 0.420 31.16301 ? 50  PRO A CG  1 
ATOM   389  C  CD  . PRO A 1 50 ? 6.03404  47.97258 10.23611 0.790 30.56981 ? 50  PRO A CD  1 
ATOM   390  N  N   . ARG A 1 51 ? 4.27874  44.18925 7.87813  0.680 36.59975 ? 51  ARG A N   1 
ATOM   391  C  CA  . ARG A 1 51 ? 3.91006  43.62035 6.59229  0.690 36.99456 ? 51  ARG A CA  1 
ATOM   392  C  C   . ARG A 1 51 ? 3.59519  42.13822 6.74955  0.450 34.77076 ? 51  ARG A C   1 
ATOM   393  O  O   . ARG A 1 51 ? 4.04598  41.50701 7.71561  0.360 35.55919 ? 51  ARG A O   1 
ATOM   394  C  CB  . ARG A 1 51 ? 5.04431  43.83322 5.58787  1.000 33.74643 ? 51  ARG A CB  1 
ATOM   395  C  CG  . ARG A 1 51 ? 6.28845  42.99644 5.85527  1.000 37.83209 ? 51  ARG A CG  1 
ATOM   396  C  CD  . ARG A 1 51 ? 7.44183  43.43091 4.95912  0.900 31.34830 ? 51  ARG A CD  1 
ATOM   397  N  NE  . ARG A 1 51 ? 8.61628  42.56977 5.08928  0.570 27.26750 ? 51  ARG A NE  1 
ATOM   398  C  CZ  . ARG A 1 51 ? 9.62943  42.79784 5.91938  0.280 25.86286 ? 51  ARG A CZ  1 
ATOM   399  N  NH1 . ARG A 1 51 ? 9.62342  43.86873 6.70092  1.000 28.43934 ? 51  ARG A NH1 1 
ATOM   400  N  NH2 . ARG A 1 51 ? 10.65431 41.95629 5.96352  0.750 24.07649 ? 51  ARG A NH2 1 
ATOM   401  N  N   . PRO A 1 52 ? 2.81148  41.55443 5.84795  0.420 30.68481 ? 52  PRO A N   1 
ATOM   402  C  CA  . PRO A 1 52 ? 2.66532  40.09830 5.83710  0.710 32.34865 ? 52  PRO A CA  1 
ATOM   403  C  C   . PRO A 1 52 ? 3.89809  39.45495 5.22613  0.600 36.96172 ? 52  PRO A C   1 
ATOM   404  O  O   . PRO A 1 52 ? 4.52389  39.99561 4.31146  0.320 39.31798 ? 52  PRO A O   1 
ATOM   405  C  CB  . PRO A 1 52 ? 1.42367  39.86726 4.96138  0.550 32.91982 ? 52  PRO A CB  1 
ATOM   406  C  CG  . PRO A 1 52 ? 0.80372  41.23644 4.76147  0.370 35.40326 ? 52  PRO A CG  1 
ATOM   407  C  CD  . PRO A 1 52 ? 1.94844  42.19234 4.84157  0.380 35.18981 ? 52  PRO A CD  1 
ATOM   408  N  N   . VAL A 1 53 ? 4.24604  38.28370 5.74367  0.670 40.94697 ? 53  VAL A N   1 
ATOM   409  C  CA  . VAL A 1 53 ? 5.48514  37.64446 5.32893  0.300 37.42316 ? 53  VAL A CA  1 
ATOM   410  C  C   . VAL A 1 53 ? 5.21843  36.41852 4.45786  1.000 50.68973 ? 53  VAL A C   1 
ATOM   411  O  O   . VAL A 1 53 ? 4.13146  35.83538 4.49130  0.910 52.04130 ? 53  VAL A O   1 
ATOM   412  C  CB  . VAL A 1 53 ? 6.33534  37.27041 6.54885  0.440 38.70821 ? 53  VAL A CB  1 
ATOM   413  C  CG1 . VAL A 1 53 ? 7.55234  36.46611 6.11306  0.660 36.20070 ? 53  VAL A CG1 1 
ATOM   414  C  CG2 . VAL A 1 53 ? 6.74401  38.52541 7.30951  0.770 35.21261 ? 53  VAL A CG2 1 
ATOM   415  N  N   . GLY B 1 1  ? 10.26762 51.82015 21.77885 0.580 30.94169 ? 1   GLY B N   1 
ATOM   416  C  CA  . GLY B 1 1  ? 10.25475 52.48709 20.48881 0.970 39.57008 ? 1   GLY B CA  1 
ATOM   417  C  C   . GLY B 1 1  ? 10.86572 51.65271 19.38024 0.780 37.96125 ? 1   GLY B C   1 
ATOM   418  O  O   . GLY B 1 1  ? 11.40736 50.57879 19.64692 0.760 29.29560 ? 1   GLY B O   1 
ATOM   419  N  N   . PRO B 1 2  ? 10.79296 52.15265 18.14116 0.680 33.94388 ? 2   PRO B N   1 
ATOM   420  C  CA  . PRO B 1 2  ? 11.19942 51.33712 16.98366 0.610 37.34272 ? 2   PRO B CA  1 
ATOM   421  C  C   . PRO B 1 2  ? 12.60160 50.77099 17.07320 0.580 37.00941 ? 2   PRO B C   1 
ATOM   422  O  O   . PRO B 1 2  ? 12.87669 49.72618 16.47150 0.560 34.84826 ? 2   PRO B O   1 
ATOM   423  C  CB  . PRO B 1 2  ? 11.06430 52.31941 15.81291 0.840 31.95304 ? 2   PRO B CB  1 
ATOM   424  C  CG  . PRO B 1 2  ? 10.00980 53.26356 16.26213 0.850 29.99557 ? 2   PRO B CG  1 
ATOM   425  C  CD  . PRO B 1 2  ? 10.22620 53.44668 17.73040 0.700 31.76978 ? 2   PRO B CD  1 
ATOM   426  N  N   A LEU B 1 3  ? 13.50139 51.41724 17.80562 0.500 37.80915 ? 3   LEU B N   1 
ATOM   427  N  N   B LEU B 1 3  ? 13.49715 51.42927 17.80968 0.500 37.76920 ? 3   LEU B N   1 
ATOM   428  C  CA  A LEU B 1 3  ? 14.86032 50.91421 17.92078 0.500 38.59230 ? 3   LEU B CA  1 
ATOM   429  C  CA  B LEU B 1 3  ? 14.87828 50.99257 17.96419 0.500 38.61137 ? 3   LEU B CA  1 
ATOM   430  C  C   . LEU B 1 3  ? 15.10975 50.21099 19.25314 1.000 44.61092 ? 3   LEU B C   1 
ATOM   431  O  O   A LEU B 1 3  ? 16.12392 49.43495 19.30376 0.500 36.91095 ? 3   LEU B O   1 
ATOM   432  O  O   B LEU B 1 3  ? 16.24551 49.79938 19.52151 0.500 35.78195 ? 3   LEU B O   1 
ATOM   433  C  CB  A LEU B 1 3  ? 15.84999 52.09113 17.90585 0.500 40.76337 ? 3   LEU B CB  1 
ATOM   434  C  CB  B LEU B 1 3  ? 15.81680 52.20376 17.91971 0.500 40.66130 ? 3   LEU B CB  1 
ATOM   435  C  CG  A LEU B 1 3  ? 15.84881 53.15689 19.00982 0.500 38.67894 ? 3   LEU B CG  1 
ATOM   436  C  CG  B LEU B 1 3  ? 15.98791 52.93414 16.58247 0.500 39.48745 ? 3   LEU B CG  1 
ATOM   437  C  CD1 A LEU B 1 3  ? 16.62705 52.68710 20.24175 0.500 42.20713 ? 3   LEU B CD1 1 
ATOM   438  C  CD1 B LEU B 1 3  ? 17.02044 54.04751 16.71584 0.500 39.50125 ? 3   LEU B CD1 1 
ATOM   439  C  CD2 A LEU B 1 3  ? 16.36469 54.49908 18.49584 0.500 41.41165 ? 3   LEU B CD2 1 
ATOM   440  C  CD2 B LEU B 1 3  ? 16.36937 51.97425 15.45893 0.500 35.13850 ? 3   LEU B CD2 1 
ATOM   441  N  N   . ASP B 1 4  ? 14.06937 50.00242 20.05388 0.730 31.59916 ? 4   ASP B N   1 
ATOM   442  C  CA  . ASP B 1 4  ? 14.14162 49.17660 21.25113 0.770 30.71255 ? 4   ASP B CA  1 
ATOM   443  C  C   . ASP B 1 4  ? 13.67270 47.77544 20.88660 0.680 29.61657 ? 4   ASP B C   1 
ATOM   444  O  O   . ASP B 1 4  ? 12.50533 47.58381 20.53184 0.450 28.49987 ? 4   ASP B O   1 
ATOM   445  C  CB  . ASP B 1 4  ? 13.26304 49.74525 22.36549 1.000 24.29567 ? 4   ASP B CB  1 
ATOM   446  C  CG  . ASP B 1 4  ? 13.71225 51.11163 22.82763 0.280 28.14800 ? 4   ASP B CG  1 
ATOM   447  O  OD1 . ASP B 1 4  ? 14.93145 51.30216 23.01400 0.570 28.46202 ? 4   ASP B OD1 1 
ATOM   448  O  OD2 . ASP B 1 4  ? 12.84148 51.99096 23.00783 0.490 27.66698 ? 4   ASP B OD2 1 
ATOM   449  N  N   . VAL B 1 5  ? 14.56938 46.80245 20.97394 0.760 23.79393 ? 5   VAL B N   1 
ATOM   450  C  CA  . VAL B 1 5  ? 14.25642 45.43561 20.57562 0.690 19.11538 ? 5   VAL B CA  1 
ATOM   451  C  C   . VAL B 1 5  ? 13.61470 44.70753 21.74744 0.720 19.90863 ? 5   VAL B C   1 
ATOM   452  O  O   . VAL B 1 5  ? 14.21756 44.58796 22.81874 0.780 18.54988 ? 5   VAL B O   1 
ATOM   453  C  CB  . VAL B 1 5  ? 15.50869 44.69546 20.09363 0.670 18.72963 ? 5   VAL B CB  1 
ATOM   454  C  CG1 . VAL B 1 5  ? 15.16269 43.25211 19.77452 1.000 21.18741 ? 5   VAL B CG1 1 
ATOM   455  C  CG2 . VAL B 1 5  ? 16.07954 45.39786 18.87199 1.000 22.07699 ? 5   VAL B CG2 1 
ATOM   456  N  N   . ILE B 1 6  ? 12.39899 44.21170 21.53760 0.860 18.54007 ? 6   ILE B N   1 
ATOM   457  C  CA  . ILE B 1 6  ? 11.71125 43.36491 22.50257 0.660 18.56590 ? 6   ILE B CA  1 
ATOM   458  C  C   . ILE B 1 6  ? 11.94789 41.91549 22.09154 0.810 21.28856 ? 6   ILE B C   1 
ATOM   459  O  O   . ILE B 1 6  ? 11.54848 41.50045 20.99823 0.850 18.71065 ? 6   ILE B O   1 
ATOM   460  C  CB  . ILE B 1 6  ? 10.21001 43.68960 22.56163 0.790 18.86545 ? 6   ILE B CB  1 
ATOM   461  C  CG1 . ILE B 1 6  ? 9.98186  45.10894 23.09146 0.860 23.54202 ? 6   ILE B CG1 1 
ATOM   462  C  CG2 . ILE B 1 6  ? 9.48875  42.70475 23.45722 0.800 20.37512 ? 6   ILE B CG2 1 
ATOM   463  C  CD1 . ILE B 1 6  ? 8.54448  45.58844 22.91524 0.930 25.63467 ? 6   ILE B CD1 1 
ATOM   464  N  N   . ARG B 1 7  ? 12.61372 41.14118 22.95352 0.740 17.85929 ? 7   ARG B N   1 
ATOM   465  C  CA  . ARG B 1 7  ? 12.77929 39.70271 22.72405 0.760 17.64319 ? 7   ARG B CA  1 
ATOM   466  C  C   . ARG B 1 7  ? 12.57829 38.99283 24.05795 0.730 17.69729 ? 7   ARG B C   1 
ATOM   467  O  O   . ARG B 1 7  ? 13.53714 38.69192 24.77150 0.740 17.40217 ? 7   ARG B O   1 
ATOM   468  C  CB  . ARG B 1 7  ? 14.13653 39.35197 22.12220 0.790 17.52485 ? 7   ARG B CB  1 
ATOM   469  C  CG  . ARG B 1 7  ? 14.18179 37.90813 21.63593 0.740 20.38332 ? 7   ARG B CG  1 
ATOM   470  C  CD  . ARG B 1 7  ? 15.59765 37.36774 21.47742 0.720 19.40417 ? 7   ARG B CD  1 
ATOM   471  N  NE  . ARG B 1 7  ? 16.34233 37.32991 22.73568 0.790 18.83027 ? 7   ARG B NE  1 
ATOM   472  C  CZ  . ARG B 1 7  ? 16.08942 36.49494 23.74334 0.380 20.14969 ? 7   ARG B CZ  1 
ATOM   473  N  NH1 . ARG B 1 7  ? 15.09880 35.61166 23.66500 0.750 21.80713 ? 7   ARG B NH1 1 
ATOM   474  N  NH2 . ARG B 1 7  ? 16.83463 36.54348 24.83711 0.740 19.36954 ? 7   ARG B NH2 1 
ATOM   475  N  N   . CYS B 1 8  ? 11.32147 38.71677 24.38266 0.740 18.62431 ? 8   CYS B N   1 
ATOM   476  C  CA  . CYS B 1 8  ? 10.98337 38.00026 25.59935 0.660 18.29123 ? 8   CYS B CA  1 
ATOM   477  C  C   . CYS B 1 8  ? 10.73692 36.53097 25.27752 0.750 20.28940 ? 8   CYS B C   1 
ATOM   478  O  O   . CYS B 1 8  ? 10.45479 36.15708 24.13557 0.680 21.34191 ? 8   CYS B O   1 
ATOM   479  C  CB  . CYS B 1 8  ? 9.75543  38.62163 26.27225 0.870 20.11670 ? 8   CYS B CB  1 
ATOM   480  S  SG  . CYS B 1 8  ? 9.44707  38.01837 27.94247 0.730 19.09149 ? 8   CYS B SG  1 
ATOM   481  N  N   . ILE B 1 9  ? 10.86481 35.69113 26.30669 0.620 22.93470 ? 9   ILE B N   1 
ATOM   482  C  CA  . ILE B 1 9  ? 10.60028 34.26831 26.13657 0.690 23.45869 ? 9   ILE B CA  1 
ATOM   483  C  C   . ILE B 1 9  ? 9.15516  33.99551 25.74834 0.580 25.04322 ? 9   ILE B C   1 
ATOM   484  O  O   . ILE B 1 9  ? 8.86807  32.95910 25.14046 0.590 23.16675 ? 9   ILE B O   1 
ATOM   485  C  CB  . ILE B 1 9  ? 11.00101 33.50089 27.41422 0.930 26.75877 ? 9   ILE B CB  1 
ATOM   486  C  CG1 . ILE B 1 9  ? 9.99051  33.75389 28.53637 0.820 25.28030 ? 9   ILE B CG1 1 
ATOM   487  C  CG2 . ILE B 1 9  ? 12.43242 33.83170 27.81033 0.340 21.66808 ? 9   ILE B CG2 1 
ATOM   488  C  CD1 . ILE B 1 9  ? 10.24016 32.93312 29.77060 0.550 26.80979 ? 9   ILE B CD1 1 
ATOM   489  N  N   . CYS B 1 10 ? 8.23284  34.91124 26.05757 0.640 20.51922 ? 10  CYS B N   1 
ATOM   490  C  CA  . CYS B 1 10 ? 6.85208  34.72678 25.62753 0.560 24.39678 ? 10  CYS B CA  1 
ATOM   491  C  C   . CYS B 1 10 ? 6.69583  34.88933 24.12206 0.670 24.38292 ? 10  CYS B C   1 
ATOM   492  O  O   . CYS B 1 10 ? 5.67667  34.46666 23.56545 0.710 24.70002 ? 10  CYS B O   1 
ATOM   493  C  CB  . CYS B 1 10 ? 5.92926  35.71243 26.34224 0.810 25.13412 ? 10  CYS B CB  1 
ATOM   494  S  SG  . CYS B 1 10 ? 6.18245  37.43216 25.86434 0.710 24.02298 ? 10  CYS B SG  1 
ATOM   495  N  N   . GLY B 1 11 ? 7.66874  35.50411 23.45497 0.730 20.81704 ? 11  GLY B N   1 
ATOM   496  C  CA  . GLY B 1 11 ? 7.62717  35.66031 22.01720 1.000 26.05812 ? 11  GLY B CA  1 
ATOM   497  C  C   . GLY B 1 11 ? 6.69417  36.73443 21.50708 0.750 25.59390 ? 11  GLY B C   1 
ATOM   498  O  O   . GLY B 1 11 ? 6.55909  36.88049 20.28688 0.700 23.64779 ? 11  GLY B O   1 
ATOM   499  N  N   . LEU B 1 12 ? 6.04634  37.48885 22.39058 1.000 26.24405 ? 12  LEU B N   1 
ATOM   500  C  CA  . LEU B 1 12 ? 5.13719  38.55862 21.99485 1.000 31.01167 ? 12  LEU B CA  1 
ATOM   501  C  C   . LEU B 1 12 ? 5.89194  39.87374 21.90045 1.000 30.60747 ? 12  LEU B C   1 
ATOM   502  O  O   . LEU B 1 12 ? 6.53139  40.29621 22.86729 1.000 27.86499 ? 12  LEU B O   1 
ATOM   503  C  CB  . LEU B 1 12 ? 3.98039  38.69584 22.98747 1.000 32.20513 ? 12  LEU B CB  1 
ATOM   504  C  CG  . LEU B 1 12 ? 3.04077  37.50235 23.06950 1.000 48.07127 ? 12  LEU B CG  1 
ATOM   505  C  CD1 . LEU B 1 12 ? 1.86478  37.79317 24.00275 1.000 41.80490 ? 12  LEU B CD1 1 
ATOM   506  C  CD2 . LEU B 1 12 ? 2.54234  37.28476 21.65751 1.000 43.25508 ? 12  LEU B CD2 1 
ATOM   507  N  N   . TYR B 1 13 ? 5.80206  40.52505 20.74184 0.770 25.63825 ? 13  TYR B N   1 
ATOM   508  C  CA  . TYR B 1 13 ? 6.45318  41.81715 20.54456 0.610 25.20077 ? 13  TYR B CA  1 
ATOM   509  C  C   . TYR B 1 13 ? 5.49923  42.92145 20.98484 0.710 28.14092 ? 13  TYR B C   1 
ATOM   510  O  O   . TYR B 1 13 ? 4.87513  43.60953 20.17458 0.570 27.89426 ? 13  TYR B O   1 
ATOM   511  C  CB  . TYR B 1 13 ? 6.87986  41.99396 19.09420 1.000 25.97340 ? 13  TYR B CB  1 
ATOM   512  C  CG  . TYR B 1 13 ? 8.05566  42.92523 18.95679 0.700 24.07020 ? 13  TYR B CG  1 
ATOM   513  C  CD1 . TYR B 1 13 ? 7.89333  44.29922 19.06569 0.910 29.28477 ? 13  TYR B CD1 1 
ATOM   514  C  CD2 . TYR B 1 13 ? 9.33261  42.42972 18.74576 0.820 23.31662 ? 13  TYR B CD2 1 
ATOM   515  C  CE1 . TYR B 1 13 ? 8.97110  45.15462 18.95563 0.530 27.43218 ? 13  TYR B CE1 1 
ATOM   516  C  CE2 . TYR B 1 13 ? 10.41180 43.27129 18.63147 0.710 21.99597 ? 13  TYR B CE2 1 
ATOM   517  C  CZ  . TYR B 1 13 ? 10.22830 44.63266 18.73610 0.640 24.19200 ? 13  TYR B CZ  1 
ATOM   518  O  OH  . TYR B 1 13 ? 11.31095 45.46785 18.62383 0.670 25.99391 ? 13  TYR B OH  1 
ATOM   519  N  N   . LYS B 1 14 ? 5.38574  43.10007 22.30009 0.640 23.96995 ? 14  LYS B N   1 
ATOM   520  C  CA  . LYS B 1 14 ? 4.55034  44.18809 22.78095 0.350 27.08712 ? 14  LYS B CA  1 
ATOM   521  C  C   . LYS B 1 14 ? 5.10199  44.79918 24.05837 0.660 25.63852 ? 14  LYS B C   1 
ATOM   522  O  O   . LYS B 1 14 ? 5.67882  44.11851 24.91279 0.690 23.34639 ? 14  LYS B O   1 
ATOM   523  C  CB  . LYS B 1 14 ? 3.09099  43.74432 22.95478 0.610 33.79164 ? 14  LYS B CB  1 
ATOM   524  C  CG  . LYS B 1 14 ? 2.79793  42.72831 24.02305 0.830 31.87386 ? 14  LYS B CG  1 
ATOM   525  C  CD  . LYS B 1 14 ? 1.33309  42.32953 23.86400 0.300 31.79115 ? 14  LYS B CD  1 
ATOM   526  C  CE  . LYS B 1 14 ? 0.91888  41.17389 24.75265 0.390 30.26092 ? 14  LYS B CE  1 
ATOM   527  N  NZ  . LYS B 1 14 ? 0.79927  41.53668 26.17201 0.470 33.82719 ? 14  LYS B NZ  1 
ATOM   528  N  N   . ASP B 1 15 ? 4.92328  46.11264 24.14072 1.000 29.12721 ? 15  ASP B N   1 
ATOM   529  C  CA  . ASP B 1 15 ? 5.43926  46.98252 25.19193 0.770 30.19029 ? 15  ASP B CA  1 
ATOM   530  C  C   . ASP B 1 15 ? 4.33161  47.24032 26.20099 0.430 35.24664 ? 15  ASP B C   1 
ATOM   531  O  O   . ASP B 1 15 ? 3.54392  48.17950 26.06909 0.370 33.28179 ? 15  ASP B O   1 
ATOM   532  C  CB  . ASP B 1 15 ? 5.96619  48.26676 24.56342 0.970 33.09902 ? 15  ASP B CB  1 
ATOM   533  C  CG  . ASP B 1 15 ? 6.48649  49.24866 25.57751 0.500 32.49881 ? 15  ASP B CG  1 
ATOM   534  O  OD1 . ASP B 1 15 ? 7.34746  48.89173 26.40797 0.560 33.09970 ? 15  ASP B OD1 1 
ATOM   535  O  OD2 . ASP B 1 15 ? 6.03940  50.41140 25.52116 0.330 37.65557 ? 15  ASP B OD2 1 
ATOM   536  N  N   . GLU B 1 16 ? 4.26515  46.38498 27.21961 0.800 34.08224 ? 16  GLU B N   1 
ATOM   537  C  CA  . GLU B 1 16 ? 3.31798  46.54690 28.30978 0.590 31.84424 ? 16  GLU B CA  1 
ATOM   538  C  C   . GLU B 1 16 ? 3.97623  46.10509 29.60784 0.620 29.77471 ? 16  GLU B C   1 
ATOM   539  O  O   . GLU B 1 16 ? 4.90729  45.29362 29.60623 0.640 26.06726 ? 16  GLU B O   1 
ATOM   540  C  CB  . GLU B 1 16 ? 2.03087  45.73172 28.10122 0.430 30.80387 ? 16  GLU B CB  1 
ATOM   541  C  CG  . GLU B 1 16 ? 2.21244  44.24745 28.37132 0.820 41.43524 ? 16  GLU B CG  1 
ATOM   542  C  CD  . GLU B 1 16 ? 0.91284  43.47661 28.33069 0.300 36.16829 ? 16  GLU B CD  1 
ATOM   543  O  OE1 . GLU B 1 16 ? -0.16635 44.10229 28.41506 0.260 35.62076 ? 16  GLU B OE1 1 
ATOM   544  O  OE2 . GLU B 1 16 ? 0.97450  42.23425 28.22985 0.420 35.96252 ? 16  GLU B OE2 1 
ATOM   545  N  N   . GLY B 1 17 ? 3.48401  46.65138 30.72008 0.760 25.14608 ? 17  GLY B N   1 
ATOM   546  C  CA  . GLY B 1 17 ? 3.93969  46.23351 32.03328 0.690 30.04754 ? 17  GLY B CA  1 
ATOM   547  C  C   . GLY B 1 17 ? 5.39068  46.59071 32.32797 0.850 29.15231 ? 17  GLY B C   1 
ATOM   548  O  O   . GLY B 1 17 ? 6.06853  47.28611 31.57331 0.480 27.68849 ? 17  GLY B O   1 
ATOM   549  N  N   . LEU B 1 18 ? 5.85836  46.09103 33.47136 0.530 28.57141 ? 18  LEU B N   1 
ATOM   550  C  CA  . LEU B 1 18 ? 7.25129  46.27534 33.85945 1.000 30.38192 ? 18  LEU B CA  1 
ATOM   551  C  C   . LEU B 1 18 ? 8.16182  45.46324 32.94563 0.560 22.60059 ? 18  LEU B C   1 
ATOM   552  O  O   . LEU B 1 18 ? 7.98542  44.25174 32.78586 0.590 21.28392 ? 18  LEU B O   1 
ATOM   553  C  CB  . LEU B 1 18 ? 7.46314  45.86149 35.31502 0.630 32.82106 ? 18  LEU B CB  1 
ATOM   554  C  CG  . LEU B 1 18 ? 8.56209  46.60442 36.08647 0.620 31.84934 ? 18  LEU B CG  1 
ATOM   555  C  CD1 . LEU B 1 18 ? 8.52772  48.10429 35.81126 0.730 35.38070 ? 18  LEU B CD1 1 
ATOM   556  C  CD2 . LEU B 1 18 ? 8.46918  46.32435 37.57628 0.440 35.94778 ? 18  LEU B CD2 1 
ATOM   557  N  N   . MET B 1 19 ? 9.14270  46.13137 32.35309 0.720 21.84400 ? 19  MET B N   1 
ATOM   558  C  CA  . MET B 1 19 ? 10.03612 45.50581 31.39661 0.660 23.67007 ? 19  MET B CA  1 
ATOM   559  C  C   . MET B 1 19 ? 11.47296 45.78132 31.81309 0.660 20.64292 ? 19  MET B C   1 
ATOM   560  O  O   . MET B 1 19 ? 11.76202 46.79175 32.45848 0.520 23.54243 ? 19  MET B O   1 
ATOM   561  C  CB  . MET B 1 19 ? 9.74904  46.02753 29.98381 0.800 23.99572 ? 19  MET B CB  1 
ATOM   562  C  CG  . MET B 1 19 ? 8.56549  45.31724 29.33846 0.960 21.73716 ? 19  MET B CG  1 
ATOM   563  S  SD  . MET B 1 19 ? 8.31528  45.67470 27.59760 0.560 20.80121 ? 19  MET B SD  1 
ATOM   564  C  CE  . MET B 1 19 ? 9.24749  44.34031 26.85808 0.620 23.57951 ? 19  MET B CE  1 
ATOM   565  N  N   . ILE B 1 20 ? 12.37039 44.86560 31.45861 0.650 20.21450 ? 20  ILE B N   1 
ATOM   566  C  CA  . ILE B 1 20 ? 13.75632 44.92657 31.90730 0.510 20.03626 ? 20  ILE B CA  1 
ATOM   567  C  C   . ILE B 1 20 ? 14.67420 44.64389 30.72422 0.660 19.38013 ? 20  ILE B C   1 
ATOM   568  O  O   . ILE B 1 20 ? 14.35594 43.82518 29.85398 0.630 19.26493 ? 20  ILE B O   1 
ATOM   569  C  CB  . ILE B 1 20 ? 14.00974 43.93828 33.06415 0.770 20.54076 ? 20  ILE B CB  1 
ATOM   570  C  CG1 . ILE B 1 20 ? 15.37230 44.19562 33.70534 0.630 20.16833 ? 20  ILE B CG1 1 
ATOM   571  C  CG2 . ILE B 1 20 ? 13.89271 42.50001 32.57536 0.700 19.40984 ? 20  ILE B CG2 1 
ATOM   572  C  CD1 . ILE B 1 20 ? 15.50731 43.60084 35.07329 0.830 20.19523 ? 20  ILE B CD1 1 
ATOM   573  N  N   . GLN B 1 21 ? 15.81242 45.32743 30.69273 0.660 21.11212 ? 21  GLN B N   1 
ATOM   574  C  CA  . GLN B 1 21 ? 16.74710 45.24516 29.57879 0.750 21.84805 ? 21  GLN B CA  1 
ATOM   575  C  C   . GLN B 1 21 ? 17.94043 44.37919 29.95607 0.880 23.52971 ? 21  GLN B C   1 
ATOM   576  O  O   . GLN B 1 21 ? 18.51566 44.53864 31.03876 0.670 23.93657 ? 21  GLN B O   1 
ATOM   577  C  CB  . GLN B 1 21 ? 17.21571 46.63969 29.16561 0.670 24.40494 ? 21  GLN B CB  1 
ATOM   578  C  CG  . GLN B 1 21 ? 18.19459 46.64077 28.00789 1.000 22.05509 ? 21  GLN B CG  1 
ATOM   579  C  CD  . GLN B 1 21 ? 18.50081 48.03496 27.51235 0.640 28.09510 ? 21  GLN B CD  1 
ATOM   580  O  OE1 . GLN B 1 21 ? 18.79856 48.93545 28.29731 0.480 22.68896 ? 21  GLN B OE1 1 
ATOM   581  N  NE2 . GLN B 1 21 ? 18.41811 48.22534 26.20112 0.850 23.69605 ? 21  GLN B NE2 1 
ATOM   582  N  N   . CYS B 1 22 ? 18.29599 43.45183 29.07124 0.840 19.70833 ? 22  CYS B N   1 
ATOM   583  C  CA  . CYS B 1 22 ? 19.50526 42.66425 29.26136 0.660 25.10267 ? 22  CYS B CA  1 
ATOM   584  C  C   . CYS B 1 22 ? 20.73060 43.56586 29.23464 0.400 26.28558 ? 22  CYS B C   1 
ATOM   585  O  O   . CYS B 1 22 ? 20.85524 44.43433 28.36482 0.760 25.76840 ? 22  CYS B O   1 
ATOM   586  C  CB  . CYS B 1 22 ? 19.61348 41.59612 28.17688 1.000 22.13937 ? 22  CYS B CB  1 
ATOM   587  S  SG  . CYS B 1 22 ? 21.12892 40.62926 28.25243 0.700 20.73875 ? 22  CYS B SG  1 
ATOM   588  N  N   . ASP B 1 23 ? 21.64736 43.34145 30.18267 0.850 22.54481 ? 23  ASP B N   1 
ATOM   589  C  CA  . ASP B 1 23 ? 22.81506 44.21130 30.31520 0.770 27.09958 ? 23  ASP B CA  1 
ATOM   590  C  C   . ASP B 1 23 ? 23.79853 44.05381 29.16044 0.740 31.63820 ? 23  ASP B C   1 
ATOM   591  O  O   . ASP B 1 23 ? 24.59305 44.96454 28.90442 0.550 26.38368 ? 23  ASP B O   1 
ATOM   592  C  CB  . ASP B 1 23 ? 23.53988 43.93643 31.63591 0.640 29.54387 ? 23  ASP B CB  1 
ATOM   593  C  CG  . ASP B 1 23 ? 22.81453 44.51039 32.83538 0.570 24.20288 ? 23  ASP B CG  1 
ATOM   594  O  OD1 . ASP B 1 23 ? 22.15664 45.56061 32.68790 0.630 27.55701 ? 23  ASP B OD1 1 
ATOM   595  O  OD2 . ASP B 1 23 ? 22.91623 43.91474 33.93168 0.530 29.93238 ? 23  ASP B OD2 1 
ATOM   596  N  N   . LYS B 1 24 ? 23.79048 42.91665 28.46839 0.820 33.90981 ? 24  LYS B N   1 
ATOM   597  C  CA  . LYS B 1 24 ? 24.76436 42.70181 27.40462 1.000 31.04527 ? 24  LYS B CA  1 
ATOM   598  C  C   . LYS B 1 24 ? 24.19190 42.86707 25.99927 0.680 27.45278 ? 24  LYS B C   1 
ATOM   599  O  O   . LYS B 1 24 ? 24.77800 43.59089 25.19226 0.510 25.36257 ? 24  LYS B O   1 
ATOM   600  C  CB  . LYS B 1 24 ? 25.43280 41.32713 27.56060 0.630 27.40777 ? 24  LYS B CB  1 
ATOM   601  C  CG  . LYS B 1 24 ? 26.44561 41.27952 28.71337 0.450 29.89212 ? 24  LYS B CG  1 
ATOM   602  C  CD  . LYS B 1 24 ? 27.62347 42.20985 28.38273 0.930 34.51727 ? 24  LYS B CD  1 
ATOM   603  C  CE  . LYS B 1 24 ? 28.72632 42.24128 29.44463 0.570 35.11601 ? 24  LYS B CE  1 
ATOM   604  N  NZ  . LYS B 1 24 ? 28.93553 40.95824 30.16476 0.540 32.99096 ? 24  LYS B NZ  1 
ATOM   605  N  N   . CYS B 1 25 ? 23.06328 42.23638 25.67765 0.610 26.21798 ? 25  CYS B N   1 
ATOM   606  C  CA  . CYS B 1 25 ? 22.56649 42.27378 24.30525 1.000 24.00206 ? 25  CYS B CA  1 
ATOM   607  C  C   . CYS B 1 25 ? 21.47730 43.31784 24.06908 0.620 21.54847 ? 25  CYS B C   1 
ATOM   608  O  O   . CYS B 1 25 ? 21.01134 43.44836 22.93273 0.590 19.46003 ? 25  CYS B O   1 
ATOM   609  C  CB  . CYS B 1 25 ? 22.07579 40.88264 23.87889 0.470 21.24151 ? 25  CYS B CB  1 
ATOM   610  S  SG  . CYS B 1 25 ? 20.50237 40.35512 24.56248 0.650 19.03373 ? 25  CYS B SG  1 
ATOM   611  N  N   . MET B 1 26 ? 21.07668 44.07352 25.09581 0.720 21.86362 ? 26  MET B N   1 
ATOM   612  C  CA  . MET B 1 26 ? 20.14063 45.20126 25.02882 0.740 21.33410 ? 26  MET B CA  1 
ATOM   613  C  C   . MET B 1 26 ? 18.68014 44.83498 24.77916 0.770 20.34143 ? 26  MET B C   1 
ATOM   614  O  O   . MET B 1 26 ? 17.85654 45.74662 24.69003 0.710 18.70799 ? 26  MET B O   1 
ATOM   615  C  CB  . MET B 1 26 ? 20.53472 46.24414 23.96860 0.420 22.38619 ? 26  MET B CB  1 
ATOM   616  C  CG  . MET B 1 26 ? 21.85587 46.96820 24.18361 0.270 27.37160 ? 26  MET B CG  1 
ATOM   617  S  SD  . MET B 1 26 ? 22.06527 47.57829 25.86969 0.350 28.22221 ? 26  MET B SD  1 
ATOM   618  C  CE  . MET B 1 26 ? 23.08250 46.31258 26.59370 1.000 30.88693 ? 26  MET B CE  1 
ATOM   619  N  N   . VAL B 1 27 ? 18.31687 43.55540 24.67842 0.830 22.41972 ? 27  VAL B N   1 
ATOM   620  C  CA  . VAL B 1 27 ? 16.91284 43.23109 24.44655 0.880 18.23431 ? 27  VAL B CA  1 
ATOM   621  C  C   . VAL B 1 27 ? 16.09634 43.47979 25.71030 0.620 18.44342 ? 27  VAL B C   1 
ATOM   622  O  O   . VAL B 1 27 ? 16.60182 43.40297 26.83940 0.690 20.13094 ? 27  VAL B O   1 
ATOM   623  C  CB  . VAL B 1 27 ? 16.73268 41.78388 23.95468 0.790 20.20071 ? 27  VAL B CB  1 
ATOM   624  C  CG1 . VAL B 1 27 ? 17.56600 41.53805 22.70046 0.700 20.82802 ? 27  VAL B CG1 1 
ATOM   625  C  CG2 . VAL B 1 27 ? 17.08102 40.79306 25.04568 0.630 21.12817 ? 27  VAL B CG2 1 
ATOM   626  N  N   . TRP B 1 28 ? 14.81569 43.78422 25.51275 0.760 18.27688 ? 28  TRP B N   1 
ATOM   627  C  CA  . TRP B 1 28 ? 13.86380 44.02663 26.58697 0.880 19.08448 ? 28  TRP B CA  1 
ATOM   628  C  C   . TRP B 1 28 ? 12.95717 42.81818 26.74834 0.540 18.05618 ? 28  TRP B C   1 
ATOM   629  O  O   . TRP B 1 28 ? 12.54229 42.20525 25.76106 0.780 18.59696 ? 28  TRP B O   1 
ATOM   630  C  CB  . TRP B 1 28 ? 13.00690 45.25889 26.29782 1.000 19.81851 ? 28  TRP B CB  1 
ATOM   631  C  CG  . TRP B 1 28 ? 13.76329 46.52694 26.30664 0.620 20.32960 ? 28  TRP B CG  1 
ATOM   632  C  CD1 . TRP B 1 28 ? 14.40248 47.10744 25.24977 0.610 22.24490 ? 28  TRP B CD1 1 
ATOM   633  C  CD2 . TRP B 1 28 ? 13.94504 47.40333 27.42008 0.610 19.94858 ? 28  TRP B CD2 1 
ATOM   634  N  NE1 . TRP B 1 28 ? 14.98630 48.28690 25.64275 0.620 22.93879 ? 28  TRP B NE1 1 
ATOM   635  C  CE2 . TRP B 1 28 ? 14.72023 48.49000 26.97322 0.610 22.74894 ? 28  TRP B CE2 1 
ATOM   636  C  CE3 . TRP B 1 28 ? 13.53831 47.36786 28.75854 0.520 19.82997 ? 28  TRP B CE3 1 
ATOM   637  C  CZ2 . TRP B 1 28 ? 15.09076 49.53641 27.81415 0.690 19.81249 ? 28  TRP B CZ2 1 
ATOM   638  C  CZ3 . TRP B 1 28 ? 13.90713 48.40457 29.58911 0.580 20.46245 ? 28  TRP B CZ3 1 
ATOM   639  C  CH2 . TRP B 1 28 ? 14.67574 49.47434 29.11649 0.400 23.73415 ? 28  TRP B CH2 1 
ATOM   640  N  N   . GLN B 1 29 ? 12.64684 42.48329 27.99589 0.700 20.06267 ? 29  GLN B N   1 
ATOM   641  C  CA  . GLN B 1 29 ? 11.79060 41.35053 28.30563 0.740 18.24195 ? 29  GLN B CA  1 
ATOM   642  C  C   . GLN B 1 29 ? 10.79606 41.78314 29.37141 0.680 21.80608 ? 29  GLN B C   1 
ATOM   643  O  O   . GLN B 1 29 ? 11.02375 42.75773 30.08744 0.850 20.60835 ? 29  GLN B O   1 
ATOM   644  C  CB  . GLN B 1 29 ? 12.61845 40.15147 28.78502 0.910 20.97496 ? 29  GLN B CB  1 
ATOM   645  C  CG  . GLN B 1 29 ? 13.90195 39.92759 27.97344 0.790 18.05934 ? 29  GLN B CG  1 
ATOM   646  C  CD  . GLN B 1 29 ? 14.48961 38.55357 28.17096 0.710 17.90828 ? 29  GLN B CD  1 
ATOM   647  O  OE1 . GLN B 1 29 ? 14.99596 38.22820 29.25147 0.680 18.35421 ? 29  GLN B OE1 1 
ATOM   648  N  NE2 . GLN B 1 29 ? 14.43734 37.73608 27.12733 0.780 17.97583 ? 29  GLN B NE2 1 
ATOM   649  N  N   . HIS B 1 30 ? 9.68160  41.05927 29.46490 0.770 21.55790 ? 30  HIS B N   1 
ATOM   650  C  CA  . HIS B 1 30 ? 8.70694  41.31717 30.51736 1.000 21.80405 ? 30  HIS B CA  1 
ATOM   651  C  C   . HIS B 1 30 ? 9.16751  40.68608 31.83041 0.830 19.74978 ? 30  HIS B C   1 
ATOM   652  O  O   . HIS B 1 30 ? 9.48493  39.49354 31.88084 0.560 19.57140 ? 30  HIS B O   1 
ATOM   653  C  CB  . HIS B 1 30 ? 7.32650  40.78431 30.12814 1.000 21.42215 ? 30  HIS B CB  1 
ATOM   654  C  CG  . HIS B 1 30 ? 6.91109  41.12244 28.72965 0.740 21.05239 ? 30  HIS B CG  1 
ATOM   655  N  ND1 . HIS B 1 30 ? 6.84245  40.18240 27.72285 0.890 22.84113 ? 30  HIS B ND1 1 
ATOM   656  C  CD2 . HIS B 1 30 ? 6.53510  42.29805 28.17190 0.860 21.28351 ? 30  HIS B CD2 1 
ATOM   657  C  CE1 . HIS B 1 30 ? 6.44096  40.76255 26.60669 0.550 19.43970 ? 30  HIS B CE1 1 
ATOM   658  N  NE2 . HIS B 1 30 ? 6.24545  42.04563 26.85169 0.780 21.54422 ? 30  HIS B NE2 1 
ATOM   659  N  N   . CYS B 1 31 ? 9.20268  41.49556 32.89263 0.680 23.99436 ? 31  CYS B N   1 
ATOM   660  C  CA  . CYS B 1 31 ? 9.61789  41.00097 34.20315 0.860 26.33114 ? 31  CYS B CA  1 
ATOM   661  C  C   . CYS B 1 31 ? 8.77080  39.81067 34.64014 0.910 26.85383 ? 31  CYS B C   1 
ATOM   662  O  O   . CYS B 1 31 ? 9.29155  38.81533 35.15550 0.510 25.16846 ? 31  CYS B O   1 
ATOM   663  C  CB  . CYS B 1 31 ? 9.52477  42.12545 35.23626 0.570 25.32005 ? 31  CYS B CB  1 
ATOM   664  S  SG  . CYS B 1 31 ? 10.64746 43.50704 34.96022 0.520 25.36327 ? 31  CYS B SG  1 
ATOM   665  N  N   . ASP B 1 32 ? 7.45566  39.89805 34.44125 0.720 23.43431 ? 32  ASP B N   1 
ATOM   666  C  CA  . ASP B 1 32 ? 6.57728  38.80503 34.84893 0.620 27.09248 ? 32  ASP B CA  1 
ATOM   667  C  C   . ASP B 1 32 ? 6.89379  37.52678 34.08672 0.830 29.31812 ? 32  ASP B C   1 
ATOM   668  O  O   . ASP B 1 32 ? 6.90978  36.43492 34.67032 0.640 26.11133 ? 32  ASP B O   1 
ATOM   669  C  CB  . ASP B 1 32 ? 5.12028  39.20362 34.64438 0.850 29.20531 ? 32  ASP B CB  1 
ATOM   670  C  CG  . ASP B 1 32 ? 4.67279  40.27452 35.61753 0.300 27.73793 ? 32  ASP B CG  1 
ATOM   671  O  OD1 . ASP B 1 32 ? 5.38415  40.49486 36.61982 0.430 23.28988 ? 32  ASP B OD1 1 
ATOM   672  O  OD2 . ASP B 1 32 ? 3.61629  40.89779 35.38208 0.510 27.16558 ? 32  ASP B OD2 1 
ATOM   673  N  N   . CYS B 1 33 ? 7.14767  37.64296 32.78064 0.800 23.17374 ? 33  CYS B N   1 
ATOM   674  C  CA  . CYS B 1 33 ? 7.50586  36.47371 31.98611 0.930 26.41169 ? 33  CYS B CA  1 
ATOM   675  C  C   . CYS B 1 33 ? 8.80214  35.85234 32.48232 0.730 21.62606 ? 33  CYS B C   1 
ATOM   676  O  O   . CYS B 1 33 ? 8.95202  34.62517 32.48673 0.540 22.85572 ? 33  CYS B O   1 
ATOM   677  C  CB  . CYS B 1 33 ? 7.63635  36.85992 30.51160 0.780 25.43527 ? 33  CYS B CB  1 
ATOM   678  S  SG  . CYS B 1 33 ? 6.08914  37.29988 29.69174 0.690 24.39659 ? 33  CYS B SG  1 
ATOM   679  N  N   . MET B 1 34 ? 9.74586  36.68413 32.91702 0.690 20.56869 ? 34  MET B N   1 
ATOM   680  C  CA  . MET B 1 34 ? 11.07313 36.21070 33.27770 0.750 24.06797 ? 34  MET B CA  1 
ATOM   681  C  C   . MET B 1 34 ? 11.21044 35.90584 34.76467 0.480 22.60601 ? 34  MET B C   1 
ATOM   682  O  O   . MET B 1 34 ? 12.24862 35.37884 35.17926 0.490 26.08775 ? 34  MET B O   1 
ATOM   683  C  CB  . MET B 1 34 ? 12.12342 37.24902 32.87480 0.580 20.57194 ? 34  MET B CB  1 
ATOM   684  C  CG  . MET B 1 34 ? 12.15436 37.54196 31.38021 1.000 19.64587 ? 34  MET B CG  1 
ATOM   685  S  SD  . MET B 1 34 ? 12.33028 36.07447 30.36260 0.520 19.03186 ? 34  MET B SD  1 
ATOM   686  C  CE  . MET B 1 34 ? 14.00579 35.57274 30.72827 0.570 20.07217 ? 34  MET B CE  1 
ATOM   687  N  N   . GLY B 1 35 ? 10.20705 36.23996 35.57015 0.690 26.09979 ? 35  GLY B N   1 
ATOM   688  C  CA  . GLY B 1 35 ? 10.23625 35.93060 36.99278 0.710 30.62590 ? 35  GLY B CA  1 
ATOM   689  C  C   . GLY B 1 35 ? 11.14301 36.81550 37.82129 0.710 27.68320 ? 35  GLY B C   1 
ATOM   690  O  O   . GLY B 1 35 ? 11.79448 36.32458 38.75049 0.370 29.53499 ? 35  GLY B O   1 
ATOM   691  N  N   . VAL B 1 36 ? 11.20279 38.11282 37.50962 0.530 25.15496 ? 36  VAL B N   1 
ATOM   692  C  CA  . VAL B 1 36 ? 12.06051 39.06495 38.20920 0.620 33.28549 ? 36  VAL B CA  1 
ATOM   693  C  C   . VAL B 1 36 ? 11.29069 40.36728 38.40025 0.780 30.45103 ? 36  VAL B C   1 
ATOM   694  O  O   . VAL B 1 36 ? 10.19582 40.54988 37.86721 0.210 30.82923 ? 36  VAL B O   1 
ATOM   695  C  CB  . VAL B 1 36 ? 13.37568 39.33162 37.44524 0.450 30.60824 ? 36  VAL B CB  1 
ATOM   696  C  CG1 . VAL B 1 36 ? 14.25818 38.09269 37.44263 0.500 28.08833 ? 36  VAL B CG1 1 
ATOM   697  C  CG2 . VAL B 1 36 ? 13.07068 39.77787 36.01773 0.640 28.33249 ? 36  VAL B CG2 1 
ATOM   698  N  N   . ASN B 1 37 ? 11.87256 41.27851 39.18219 0.400 36.58903 ? 37  ASN B N   1 
ATOM   699  C  CA  . ASN B 1 37 ? 11.35432 42.63776 39.28490 0.820 42.23638 ? 37  ASN B CA  1 
ATOM   700  C  C   . ASN B 1 37 ? 12.51761 43.61890 39.29985 0.530 39.83525 ? 37  ASN B C   1 
ATOM   701  O  O   . ASN B 1 37 ? 13.68745 43.23386 39.38120 0.450 44.21437 ? 37  ASN B O   1 
ATOM   702  C  CB  . ASN B 1 37 ? 10.44233 42.83359 40.51384 0.520 41.26356 ? 37  ASN B CB  1 
ATOM   703  C  CG  . ASN B 1 37 ? 11.06446 42.34771 41.80963 0.430 41.91846 ? 37  ASN B CG  1 
ATOM   704  O  OD1 . ASN B 1 37 ? 12.20535 42.67807 42.13973 0.680 43.93570 ? 37  ASN B OD1 1 
ATOM   705  N  ND2 . ASN B 1 37 ? 10.29980 41.56582 42.56491 0.470 38.50670 ? 37  ASN B ND2 1 
ATOM   706  N  N   . SER B 1 38 ? 12.17590 44.90760 39.21108 0.710 45.48990 ? 38  SER B N   1 
ATOM   707  C  CA  . SER B 1 38 ? 13.13652 45.99388 39.02692 1.000 46.43086 ? 38  SER B CA  1 
ATOM   708  C  C   . SER B 1 38 ? 14.09192 46.17703 40.19529 0.700 53.88030 ? 38  SER B C   1 
ATOM   709  O  O   . SER B 1 38 ? 14.98175 47.03356 40.10956 0.680 57.13690 ? 38  SER B O   1 
ATOM   710  C  CB  . SER B 1 38 ? 12.39248 47.30770 38.78031 0.600 49.16110 ? 38  SER B CB  1 
ATOM   711  O  OG  . SER B 1 38 ? 13.30798 48.37841 38.62081 0.580 53.07569 ? 38  SER B OG  1 
ATOM   712  N  N   . ASP B 1 39 ? 13.93847 45.42225 41.27812 1.000 50.38898 ? 39  ASP B N   1 
ATOM   713  C  CA  . ASP B 1 39 ? 14.84659 45.54618 42.40778 1.000 47.74819 ? 39  ASP B CA  1 
ATOM   714  C  C   . ASP B 1 39 ? 16.16947 44.83020 42.17907 0.770 37.77047 ? 39  ASP B C   1 
ATOM   715  O  O   . ASP B 1 39 ? 17.03309 44.86648 43.06163 0.520 36.68964 ? 39  ASP B O   1 
ATOM   716  C  CB  . ASP B 1 39 ? 14.16621 45.02111 43.67386 0.490 38.83405 ? 39  ASP B CB  1 
ATOM   717  C  CG  . ASP B 1 39 ? 13.07106 45.94824 44.16741 0.260 38.36401 ? 39  ASP B CG  1 
ATOM   718  O  OD1 . ASP B 1 39 ? 12.62483 46.81208 43.38342 0.410 38.36287 ? 39  ASP B OD1 1 
ATOM   719  O  OD2 . ASP B 1 39 ? 12.64836 45.80992 45.33275 0.520 44.78406 ? 39  ASP B OD2 1 
ATOM   720  N  N   . VAL B 1 40 ? 16.35530 44.18991 41.02112 1.000 37.76353 ? 40  VAL B N   1 
ATOM   721  C  CA  . VAL B 1 40 ? 17.62662 43.54862 40.71324 1.000 32.44683 ? 40  VAL B CA  1 
ATOM   722  C  C   . VAL B 1 40 ? 18.61350 44.61359 40.26072 0.590 35.96111 ? 40  VAL B C   1 
ATOM   723  O  O   . VAL B 1 40 ? 18.24994 45.60589 39.61695 0.710 40.77474 ? 40  VAL B O   1 
ATOM   724  C  CB  . VAL B 1 40 ? 17.46575 42.44768 39.64236 1.000 42.27609 ? 40  VAL B CB  1 
ATOM   725  C  CG1 . VAL B 1 40 ? 16.52484 41.34935 40.12446 0.910 40.69249 ? 40  VAL B CG1 1 
ATOM   726  C  CG2 . VAL B 1 40 ? 16.98831 43.04737 38.31702 0.940 35.61608 ? 40  VAL B CG2 1 
ATOM   727  N  N   . GLU B 1 41 ? 19.87904 44.40941 40.60167 0.770 31.95031 ? 41  GLU B N   1 
ATOM   728  C  CA  . GLU B 1 41 ? 20.91613 45.34071 40.18877 0.620 26.29269 ? 41  GLU B CA  1 
ATOM   729  C  C   . GLU B 1 41 ? 21.42529 45.06437 38.78328 0.530 30.17818 ? 41  GLU B C   1 
ATOM   730  O  O   . GLU B 1 41 ? 21.80555 46.00299 38.07433 0.660 31.61119 ? 41  GLU B O   1 
ATOM   731  C  CB  . GLU B 1 41 ? 22.08041 45.29513 41.17849 0.550 33.01240 ? 41  GLU B CB  1 
ATOM   732  C  CG  . GLU B 1 41 ? 23.09768 46.39294 40.98032 1.000 41.19069 ? 41  GLU B CG  1 
ATOM   733  C  CD  . GLU B 1 41 ? 23.95619 46.62116 42.20816 0.600 41.90406 ? 41  GLU B CD  1 
ATOM   734  O  OE1 . GLU B 1 41 ? 24.68897 47.63303 42.22876 0.570 41.72485 ? 41  GLU B OE1 1 
ATOM   735  O  OE2 . GLU B 1 41 ? 23.87931 45.80607 43.15872 0.600 43.22699 ? 41  GLU B OE2 1 
ATOM   736  N  N   . HIS B 1 42 ? 21.42743 43.80497 38.35795 0.800 32.10364 ? 42  HIS B N   1 
ATOM   737  C  CA  . HIS B 1 42 ? 22.02156 43.41376 37.08907 0.360 32.09516 ? 42  HIS B CA  1 
ATOM   738  C  C   . HIS B 1 42 ? 21.16261 42.32912 36.46060 0.470 31.43786 ? 42  HIS B C   1 
ATOM   739  O  O   . HIS B 1 42 ? 20.66692 41.44570 37.16584 0.640 28.57255 ? 42  HIS B O   1 
ATOM   740  C  CB  . HIS B 1 42 ? 23.44881 42.90772 37.30555 1.000 33.15398 ? 42  HIS B CB  1 
ATOM   741  C  CG  . HIS B 1 42 ? 24.42029 43.99079 37.66395 0.600 45.51871 ? 42  HIS B CG  1 
ATOM   742  N  ND1 . HIS B 1 42 ? 24.16653 45.32546 37.42605 0.540 41.08370 ? 42  HIS B ND1 1 
ATOM   743  C  CD2 . HIS B 1 42 ? 25.62150 43.94218 38.28879 0.600 39.25882 ? 42  HIS B CD2 1 
ATOM   744  C  CE1 . HIS B 1 42 ? 25.18344 46.04860 37.86056 0.200 36.68736 ? 42  HIS B CE1 1 
ATOM   745  N  NE2 . HIS B 1 42 ? 26.07810 45.23407 38.39162 0.720 40.59913 ? 42  HIS B NE2 1 
ATOM   746  N  N   . TYR B 1 43 ? 20.98563 42.38964 35.13904 0.740 26.66094 ? 43  TYR B N   1 
ATOM   747  C  CA  . TYR B 1 43 ? 20.11199 41.43873 34.46679 0.660 24.50209 ? 43  TYR B CA  1 
ATOM   748  C  C   . TYR B 1 43 ? 20.74065 40.96161 33.16619 1.000 21.59058 ? 43  TYR B C   1 
ATOM   749  O  O   . TYR B 1 43 ? 21.33472 41.75273 32.43125 0.680 20.58778 ? 43  TYR B O   1 
ATOM   750  C  CB  . TYR B 1 43 ? 18.73764 42.04662 34.15441 0.650 26.32056 ? 43  TYR B CB  1 
ATOM   751  C  CG  . TYR B 1 43 ? 17.80156 41.04051 33.53405 0.510 21.82403 ? 43  TYR B CG  1 
ATOM   752  C  CD1 . TYR B 1 43 ? 17.24539 40.03435 34.30563 0.830 23.03524 ? 43  TYR B CD1 1 
ATOM   753  C  CD2 . TYR B 1 43 ? 17.50698 41.06674 32.17277 1.000 23.57704 ? 43  TYR B CD2 1 
ATOM   754  C  CE1 . TYR B 1 43 ? 16.40404 39.09569 33.75698 0.650 22.47692 ? 43  TYR B CE1 1 
ATOM   755  C  CE2 . TYR B 1 43 ? 16.66328 40.13206 31.61459 0.580 22.60686 ? 43  TYR B CE2 1 
ATOM   756  C  CZ  . TYR B 1 43 ? 16.11710 39.14614 32.41298 0.660 21.14050 ? 43  TYR B CZ  1 
ATOM   757  O  OH  . TYR B 1 43 ? 15.27666 38.20193 31.87941 0.630 19.16506 ? 43  TYR B OH  1 
ATOM   758  N  N   . LEU B 1 44 ? 20.59841 39.66360 32.89214 0.910 22.52115 ? 44  LEU B N   1 
ATOM   759  C  CA  . LEU B 1 44 ? 20.90423 39.07342 31.59710 0.430 24.53614 ? 44  LEU B CA  1 
ATOM   760  C  C   . LEU B 1 44 ? 19.73899 38.20272 31.15620 0.620 25.95054 ? 44  LEU B C   1 
ATOM   761  O  O   . LEU B 1 44 ? 19.09308 37.54744 31.98099 0.650 22.96125 ? 44  LEU B O   1 
ATOM   762  C  CB  . LEU B 1 44 ? 22.19146 38.23284 31.62567 1.000 25.21253 ? 44  LEU B CB  1 
ATOM   763  C  CG  . LEU B 1 44 ? 23.44730 38.87015 32.21340 0.700 33.14761 ? 44  LEU B CG  1 
ATOM   764  C  CD1 . LEU B 1 44 ? 24.43829 37.80132 32.63357 0.470 31.59793 ? 44  LEU B CD1 1 
ATOM   765  C  CD2 . LEU B 1 44 ? 24.07078 39.80209 31.17990 0.800 31.62688 ? 44  LEU B CD2 1 
ATOM   766  N  N   . CYS B 1 45 ? 19.47598 38.20271 29.85054 1.000 25.17495 ? 45  CYS B N   1 
ATOM   767  C  CA  . CYS B 1 45 ? 18.39356 37.40664 29.29968 0.520 22.43685 ? 45  CYS B CA  1 
ATOM   768  C  C   . CYS B 1 45 ? 18.76318 35.92539 29.30274 0.890 23.56044 ? 45  CYS B C   1 
ATOM   769  O  O   . CYS B 1 45 ? 19.88750 35.53209 29.62071 0.790 23.82437 ? 45  CYS B O   1 
ATOM   770  C  CB  . CYS B 1 45 ? 18.05679 37.86906 27.88319 0.670 20.98364 ? 45  CYS B CB  1 
ATOM   771  S  SG  . CYS B 1 45 ? 19.37556 37.55509 26.69412 0.600 20.31546 ? 45  CYS B SG  1 
ATOM   772  N  N   . GLU B 1 46 ? 17.79150 35.09627 28.92481 0.720 24.40649 ? 46  GLU B N   1 
ATOM   773  C  CA  . GLU B 1 46 ? 17.94264 33.64924 28.97104 0.800 26.78616 ? 46  GLU B CA  1 
ATOM   774  C  C   . GLU B 1 46 ? 18.82678 33.09671 27.85952 0.870 28.39813 ? 46  GLU B C   1 
ATOM   775  O  O   . GLU B 1 46 ? 19.10264 31.89204 27.85493 0.570 27.99496 ? 46  GLU B O   1 
ATOM   776  C  CB  . GLU B 1 46 ? 16.56587 32.97852 28.92470 0.550 31.52815 ? 46  GLU B CB  1 
ATOM   777  C  CG  . GLU B 1 46 ? 16.02626 32.67862 27.53086 0.780 25.19111 ? 46  GLU B CG  1 
ATOM   778  C  CD  . GLU B 1 46 ? 15.69718 33.92450 26.71886 0.750 22.33127 ? 46  GLU B CD  1 
ATOM   779  O  OE1 . GLU B 1 46 ? 15.84942 35.05130 27.23348 0.590 19.57716 ? 46  GLU B OE1 1 
ATOM   780  O  OE2 . GLU B 1 46 ? 15.26474 33.76772 25.55487 0.740 23.72647 ? 46  GLU B OE2 1 
ATOM   781  N  N   . GLN B 1 47 ? 19.28117 33.93270 26.92935 0.670 23.09475 ? 47  GLN B N   1 
ATOM   782  C  CA  . GLN B 1 47 ? 20.24988 33.51627 25.92055 0.950 25.39613 ? 47  GLN B CA  1 
ATOM   783  C  C   . GLN B 1 47 ? 21.67353 33.89218 26.30101 0.590 28.04072 ? 47  GLN B C   1 
ATOM   784  O  O   . GLN B 1 47 ? 22.60549 33.13732 26.01540 0.530 27.60795 ? 47  GLN B O   1 
ATOM   785  C  CB  . GLN B 1 47 ? 19.90348 34.13054 24.55557 0.920 28.18799 ? 47  GLN B CB  1 
ATOM   786  C  CG  . GLN B 1 47 ? 18.61941 33.61284 23.91463 1.000 24.66857 ? 47  GLN B CG  1 
ATOM   787  C  CD  . GLN B 1 47 ? 18.61858 32.11274 23.66727 0.710 24.90058 ? 47  GLN B CD  1 
ATOM   788  O  OE1 . GLN B 1 47 ? 19.65581 31.51684 23.38443 0.640 25.29439 ? 47  GLN B OE1 1 
ATOM   789  N  NE2 . GLN B 1 47 ? 17.44122 31.50017 23.75003 0.570 23.19753 ? 47  GLN B NE2 1 
ATOM   790  N  N   . CYS B 1 48 ? 21.85782 35.04971 26.94093 1.000 27.47062 ? 48  CYS B N   1 
ATOM   791  C  CA  . CYS B 1 48 ? 23.16398 35.42647 27.46151 1.000 26.94741 ? 48  CYS B CA  1 
ATOM   792  C  C   . CYS B 1 48 ? 23.52781 34.62612 28.70406 0.240 26.63224 ? 48  CYS B C   1 
ATOM   793  O  O   . CYS B 1 48 ? 24.71258 34.51370 29.03350 0.550 25.33476 ? 48  CYS B O   1 
ATOM   794  C  CB  . CYS B 1 48 ? 23.19014 36.92144 27.79289 1.000 25.01657 ? 48  CYS B CB  1 
ATOM   795  S  SG  . CYS B 1 48 ? 23.05822 38.06503 26.39400 0.570 19.64317 ? 48  CYS B SG  1 
ATOM   796  N  N   . ASP B 1 49 ? 22.53261 34.06980 29.39279 0.700 27.38188 ? 49  ASP B N   1 
ATOM   797  C  CA  . ASP B 1 49 ? 22.74459 33.36272 30.65774 0.770 33.18420 ? 49  ASP B CA  1 
ATOM   798  C  C   . ASP B 1 49 ? 21.73040 32.23082 30.74247 0.700 28.67238 ? 49  ASP B C   1 
ATOM   799  O  O   . ASP B 1 49 ? 20.71613 32.33263 31.44572 0.800 31.29258 ? 49  ASP B O   1 
ATOM   800  C  CB  . ASP B 1 49 ? 22.59950 34.31848 31.84367 1.000 30.50947 ? 49  ASP B CB  1 
ATOM   801  C  CG  . ASP B 1 49 ? 22.86367 33.64970 33.18157 0.550 32.36253 ? 49  ASP B CG  1 
ATOM   802  O  OD1 . ASP B 1 49 ? 23.50052 32.57591 33.20879 0.640 31.83572 ? 49  ASP B OD1 1 
ATOM   803  O  OD2 . ASP B 1 49 ? 22.43261 34.20665 34.20893 0.550 28.47461 ? 49  ASP B OD2 1 
ATOM   804  N  N   . PRO B 1 50 ? 21.96313 31.13368 30.01449 0.720 25.95734 ? 50  PRO B N   1 
ATOM   805  C  CA  . PRO B 1 50 ? 20.94301 30.08009 29.91748 0.790 30.66813 ? 50  PRO B CA  1 
ATOM   806  C  C   . PRO B 1 50 ? 20.55695 29.55700 31.28832 0.600 39.79610 ? 50  PRO B C   1 
ATOM   807  O  O   . PRO B 1 50 ? 21.40936 29.35938 32.15705 0.770 37.59798 ? 50  PRO B O   1 
ATOM   808  C  CB  . PRO B 1 50 ? 21.62409 28.98898 29.08004 0.620 38.29963 ? 50  PRO B CB  1 
ATOM   809  C  CG  . PRO B 1 50 ? 22.80267 29.61509 28.44647 0.400 34.33277 ? 50  PRO B CG  1 
ATOM   810  C  CD  . PRO B 1 50 ? 23.04898 30.96482 29.03165 0.600 31.14943 ? 50  PRO B CD  1 
ATOM   811  N  N   . ARG B 1 51 ? 19.26118 29.33514 31.47602 0.730 39.63358 ? 51  ARG B N   1 
ATOM   812  C  CA  . ARG B 1 51 ? 18.72614 28.92919 32.76808 0.810 37.08820 ? 51  ARG B CA  1 
ATOM   813  C  C   . ARG B 1 51 ? 17.24832 28.59316 32.59580 0.060 32.66137 ? 51  ARG B C   1 
ATOM   814  O  O   . ARG B 1 51 ? 16.60922 29.07138 31.65316 0.540 35.10333 ? 51  ARG B O   1 
ATOM   815  C  CB  . ARG B 1 51 ? 18.90842 30.03477 33.81862 1.000 35.21304 ? 51  ARG B CB  1 
ATOM   816  C  CG  . ARG B 1 51 ? 17.99991 31.23613 33.62655 0.780 34.73102 ? 51  ARG B CG  1 
ATOM   817  C  CD  . ARG B 1 51 ? 18.47215 32.41380 34.46478 1.000 34.55223 ? 51  ARG B CD  1 
ATOM   818  N  NE  . ARG B 1 51 ? 17.60010 33.57838 34.31987 0.510 29.90284 ? 51  ARG B NE  1 
ATOM   819  C  CZ  . ARG B 1 51 ? 17.78743 34.54643 33.43070 0.540 31.95455 ? 51  ARG B CZ  1 
ATOM   820  N  NH1 . ARG B 1 51 ? 18.81424 34.48812 32.59166 1.000 27.82800 ? 51  ARG B NH1 1 
ATOM   821  N  NH2 . ARG B 1 51 ? 16.94271 35.57056 33.36962 0.610 23.75030 ? 51  ARG B NH2 1 
ATOM   822  N  N   . PRO B 1 52 ? 16.69552 27.76401 33.47935 0.420 31.10598 ? 52  PRO B N   1 
ATOM   823  C  CA  . PRO B 1 52 ? 15.24561 27.54601 33.46690 0.420 30.35568 ? 52  PRO B CA  1 
ATOM   824  C  C   . PRO B 1 52 ? 14.51711 28.78021 33.97316 0.810 34.24054 ? 52  PRO B C   1 
ATOM   825  O  O   . PRO B 1 52 ? 14.99505 29.48027 34.86907 0.360 35.59559 ? 52  PRO B O   1 
ATOM   826  C  CB  . PRO B 1 52 ? 15.05702 26.35332 34.41482 0.480 32.60686 ? 52  PRO B CB  1 
ATOM   827  C  CG  . PRO B 1 52 ? 16.41062 25.69853 34.48176 0.200 34.10926 ? 52  PRO B CG  1 
ATOM   828  C  CD  . PRO B 1 52 ? 17.37618 26.84185 34.40151 0.360 33.27125 ? 52  PRO B CD  1 
ATOM   829  N  N   . VAL B 1 53 ? 13.35088 29.04501 33.39305 0.600 36.76160 ? 53  VAL B N   1 
ATOM   830  C  CA  . VAL B 1 53 ? 12.58015 30.22175 33.78001 0.600 42.57567 ? 53  VAL B CA  1 
ATOM   831  C  C   . VAL B 1 53 ? 11.31991 29.82951 34.55365 1.000 42.71131 ? 53  VAL B C   1 
ATOM   832  O  O   . VAL B 1 53 ? 10.61328 28.89063 34.17953 0.450 38.24345 ? 53  VAL B O   1 
ATOM   833  C  CB  . VAL B 1 53 ? 12.21548 31.07339 32.55521 0.500 31.42211 ? 53  VAL B CB  1 
ATOM   834  C  CG1 . VAL B 1 53 ? 11.51731 32.34875 33.00218 0.330 27.56733 ? 53  VAL B CG1 1 
ATOM   835  C  CG2 . VAL B 1 53 ? 13.46265 31.39447 31.74188 0.560 32.13526 ? 53  VAL B CG2 1 
ATOM   836  N  N   . ALA C 2 1  ? 20.84390 43.65463 3.34578  0.270 26.97457 ? 1   ALA T N   1 
ATOM   837  C  CA  . ALA C 2 1  ? 22.17275 44.25611 3.36500  1.000 34.09780 ? 1   ALA T CA  1 
ATOM   838  C  C   . ALA C 2 1  ? 23.19962 43.29476 3.94093  0.270 29.96878 ? 1   ALA T C   1 
ATOM   839  O  O   . ALA C 2 1  ? 23.83755 42.53782 3.20939  0.500 24.56255 ? 1   ALA T O   1 
ATOM   840  C  CB  . ALA C 2 1  ? 22.15712 45.55461 4.16115  0.270 31.57983 ? 1   ALA T CB  1 
ATOM   841  N  N   . ARG C 2 2  ? 23.36354 43.32209 5.25895  0.580 28.14136 ? 2   ARG T N   1 
ATOM   842  C  CA  . ARG C 2 2  ? 24.34824 42.46212 5.89304  0.810 24.79431 ? 2   ARG T CA  1 
ATOM   843  C  C   . ARG C 2 2  ? 23.77010 41.06863 6.08867  0.620 26.21045 ? 2   ARG T C   1 
ATOM   844  O  O   . ARG C 2 2  ? 22.70646 40.90137 6.69406  0.640 24.41629 ? 2   ARG T O   1 
ATOM   845  C  CB  . ARG C 2 2  ? 24.80560 43.04730 7.22752  0.540 28.43713 ? 2   ARG T CB  1 
ATOM   846  C  CG  . ARG C 2 2  ? 25.81752 42.17399 7.94040  0.600 30.94008 ? 2   ARG T CG  1 
ATOM   847  C  CD  . ARG C 2 2  ? 26.73742 42.99848 8.83731  0.650 30.48058 ? 2   ARG T CD  1 
ATOM   848  N  NE  . ARG C 2 2  ? 27.91545 43.49069 8.11821  0.200 31.02229 ? 2   ARG T NE  1 
ATOM   849  C  CZ  . ARG C 2 2  ? 28.82925 42.72744 7.51818  0.300 39.47622 ? 2   ARG T CZ  1 
ATOM   850  N  NH1 . ARG C 2 2  ? 28.74473 41.40148 7.54977  0.350 34.46805 ? 2   ARG T NH1 1 
ATOM   851  N  NH2 . ARG C 2 2  ? 29.84981 43.29768 6.88826  0.620 45.57679 ? 2   ARG T NH2 1 
ATOM   852  N  N   . THR C 2 3  ? 24.46945 40.07264 5.56138  1.000 29.02452 ? 3   THR T N   1 
ATOM   853  C  CA  . THR C 2 3  ? 24.02292 38.69268 5.64529  0.540 27.21153 ? 3   THR T CA  1 
ATOM   854  C  C   . THR C 2 3  ? 25.16181 37.81639 6.12418  0.860 30.42579 ? 3   THR T C   1 
ATOM   855  O  O   . THR C 2 3  ? 26.32706 38.21600 6.09132  0.560 33.68143 ? 3   THR T O   1 
ATOM   856  C  CB  . THR C 2 3  ? 23.50019 38.17104 4.28654  0.450 28.34797 ? 3   THR T CB  1 
ATOM   857  O  OG1 . THR C 2 3  ? 24.54751 38.23108 3.31124  0.640 36.08176 ? 3   THR T OG1 1 
ATOM   858  C  CG2 . THR C 2 3  ? 22.32902 38.99525 3.80886  1.000 29.32198 ? 3   THR T CG2 1 
HETATM 859  N  N   . MLY C 2 4  ? 24.82055 36.61587 6.56839  0.830 30.34596 ? 4   MLY T N   1 
HETATM 860  C  CA  . MLY C 2 4  ? 25.80859 35.70104 7.10689  0.800 30.27259 ? 4   MLY T CA  1 
HETATM 861  C  CB  . MLY C 2 4  ? 26.07031 35.99715 8.58255  0.400 28.14222 ? 4   MLY T CB  1 
HETATM 862  C  CG  . MLY C 2 4  ? 24.91664 35.59369 9.48344  0.740 30.11061 ? 4   MLY T CG  1 
HETATM 863  C  CD  . MLY C 2 4  ? 25.24004 35.81239 10.95073 0.700 30.46774 ? 4   MLY T CD  1 
HETATM 864  C  CE  . MLY C 2 4  ? 24.15107 35.22299 11.82213 0.660 26.45233 ? 4   MLY T CE  1 
HETATM 865  N  NZ  . MLY C 2 4  ? 24.43839 35.33217 13.27538 0.900 25.23071 ? 4   MLY T NZ  1 
HETATM 866  C  CH1 . MLY C 2 4  ? 24.77532 36.73490 13.54688 0.820 24.65115 ? 4   MLY T CH1 1 
HETATM 867  C  CH2 . MLY C 2 4  ? 23.17877 35.05702 13.97513 0.750 23.89027 ? 4   MLY T CH2 1 
HETATM 868  C  C   . MLY C 2 4  ? 25.31974 34.28098 6.94761  0.660 34.04618 ? 4   MLY T C   1 
HETATM 869  O  O   . MLY C 2 4  ? 24.14340 34.05236 6.68871  0.740 30.34501 ? 4   MLY T O   1 
ATOM   870  N  N   . GLN C 2 5  ? 26.21914 33.32372 7.12230  1.000 36.24921 ? 5   GLN T N   1 
ATOM   871  C  CA  . GLN C 2 5  ? 25.82064 31.92675 7.13626  0.700 36.06854 ? 5   GLN T CA  1 
ATOM   872  C  C   . GLN C 2 5  ? 26.80458 31.07417 7.92347  0.870 39.58765 ? 5   GLN T C   1 
ATOM   873  O  O   . GLN C 2 5  ? 27.91373 30.79295 7.46579  0.380 37.17061 ? 5   GLN T O   1 
ATOM   874  C  CB  . GLN C 2 5  ? 25.69178 31.38759 5.71962  0.760 34.67919 ? 5   GLN T CB  1 
ATOM   875  C  CG  . GLN C 2 5  ? 25.34018 29.92141 5.68802  0.610 41.64395 ? 5   GLN T CG  1 
ATOM   876  C  CD  . GLN C 2 5  ? 24.90049 29.46038 4.32363  0.630 34.04156 ? 5   GLN T CD  1 
ATOM   877  O  OE1 . GLN C 2 5  ? 25.38073 29.95654 3.30301  0.410 44.22177 ? 5   GLN T OE1 1 
ATOM   878  N  NE2 . GLN C 2 5  ? 23.98586 28.50052 4.29275  0.520 43.07988 ? 5   GLN T NE2 1 
ATOM   879  N  N   . THR C 2 6  ? 26.38930 30.66085 9.11222  0.730 40.28451 ? 6   THR T N   1 
ATOM   880  C  CA  . THR C 2 6  ? 27.22567 29.82399 9.95059  0.430 35.76424 ? 6   THR T CA  1 
ATOM   881  C  C   . THR C 2 6  ? 26.89067 28.35929 9.71885  1.000 46.09578 ? 6   THR T C   1 
ATOM   882  O  O   . THR C 2 6  ? 27.58857 27.65927 8.98582  0.710 48.42464 ? 6   THR T O   1 
ATOM   883  C  CB  . THR C 2 6  ? 27.05096 30.16362 11.43580 0.400 36.03192 ? 6   THR T CB  1 
ATOM   884  O  OG1 . THR C 2 6  ? 27.38095 31.54217 11.65218 0.400 45.15286 ? 6   THR T OG1 1 
ATOM   885  C  CG2 . THR C 2 6  ? 27.95867 29.29154 12.27866 0.400 40.68910 ? 6   THR T CG2 1 
ATOM   886  N  N   . ALA D 2 1  ? 19.82736 47.47135 37.19941 0.370 31.19629 ? 1   ALA P N   1 
ATOM   887  C  CA  . ALA D 2 1  ? 19.33186 47.09339 35.88205 0.890 34.15021 ? 1   ALA P CA  1 
ATOM   888  C  C   . ALA D 2 1  ? 18.38950 48.15389 35.33245 0.340 30.42507 ? 1   ALA P C   1 
ATOM   889  O  O   . ALA D 2 1  ? 17.75502 48.89078 36.09022 0.560 23.56404 ? 1   ALA P O   1 
ATOM   890  C  CB  . ALA D 2 1  ? 18.63646 45.73933 35.94523 0.520 31.51539 ? 1   ALA P CB  1 
ATOM   891  N  N   . ARG D 2 2  ? 18.29938 48.23413 34.00904 0.690 27.68254 ? 2   ARG P N   1 
ATOM   892  C  CA  . ARG D 2 2  ? 17.46831 49.23681 33.36179 0.650 22.04483 ? 2   ARG P CA  1 
ATOM   893  C  C   . ARG D 2 2  ? 16.05275 48.70573 33.19382 0.630 26.60265 ? 2   ARG P C   1 
ATOM   894  O  O   . ARG D 2 2  ? 15.84742 47.63789 32.60754 0.470 21.36426 ? 2   ARG P O   1 
ATOM   895  C  CB  . ARG D 2 2  ? 18.03760 49.63115 32.00107 0.580 25.73634 ? 2   ARG P CB  1 
ATOM   896  C  CG  . ARG D 2 2  ? 17.18756 50.66546 31.28837 0.650 26.91492 ? 2   ARG P CG  1 
ATOM   897  C  CD  . ARG D 2 2  ? 18.03731 51.62099 30.47439 0.320 27.52746 ? 2   ARG P CD  1 
ATOM   898  N  NE  . ARG D 2 2  ? 17.23177 52.36553 29.51196 0.410 36.35299 ? 2   ARG P NE  1 
ATOM   899  C  CZ  . ARG D 2 2  ? 17.51102 52.46039 28.21535 0.400 28.74373 ? 2   ARG P CZ  1 
ATOM   900  N  NH1 . ARG D 2 2  ? 18.56784 51.83582 27.71212 0.630 34.35580 ? 2   ARG P NH1 1 
ATOM   901  N  NH2 . ARG D 2 2  ? 16.72390 53.16625 27.41725 0.490 33.15873 ? 2   ARG P NH2 1 
ATOM   902  N  N   . THR D 2 3  ? 15.08108 49.45783 33.69751 0.780 26.88980 ? 3   THR P N   1 
ATOM   903  C  CA  . THR D 2 3  ? 13.68945 49.05614 33.59515 0.690 28.49634 ? 3   THR P CA  1 
ATOM   904  C  C   . THR D 2 3  ? 12.83925 50.19497 33.05250 0.630 30.80580 ? 3   THR P C   1 
ATOM   905  O  O   . THR D 2 3  ? 13.25995 51.35192 33.04032 0.470 35.14769 ? 3   THR P O   1 
ATOM   906  C  CB  . THR D 2 3  ? 13.12618 48.59666 34.95749 0.520 30.99173 ? 3   THR P CB  1 
ATOM   907  O  OG1 . THR D 2 3  ? 13.22977 49.66496 35.90747 0.530 32.41079 ? 3   THR P OG1 1 
ATOM   908  C  CG2 . THR D 2 3  ? 13.89675 47.38818 35.47400 0.710 29.40758 ? 3   THR P CG2 1 
HETATM 909  N  N   . MLY D 2 4  ? 11.64263 49.85307 32.59225 0.740 28.01569 ? 4   MLY P N   1 
HETATM 910  C  CA  . MLY D 2 4  ? 10.69377 50.83912 32.10489 0.840 31.64399 ? 4   MLY P CA  1 
HETATM 911  C  CB  . MLY D 2 4  ? 10.91709 51.13397 30.61973 0.160 29.51718 ? 4   MLY P CB  1 
HETATM 912  C  CG  . MLY D 2 4  ? 10.58271 49.96153 29.70995 0.770 31.16569 ? 4   MLY P CG  1 
HETATM 913  C  CD  . MLY D 2 4  ? 10.76837 50.30323 28.24024 0.520 28.16776 ? 4   MLY P CD  1 
HETATM 914  C  CE  . MLY D 2 4  ? 10.44814 49.09541 27.38190 0.610 25.16803 ? 4   MLY P CE  1 
HETATM 915  N  NZ  . MLY D 2 4  ? 10.50681 49.35701 25.92177 0.740 25.47214 ? 4   MLY P NZ  1 
HETATM 916  C  CH1 . MLY D 2 4  ? 11.85234 49.86120 25.62725 0.600 22.34136 ? 4   MLY P CH1 1 
HETATM 917  C  CH2 . MLY D 2 4  ? 10.37599 48.05380 25.26517 0.750 25.96688 ? 4   MLY P CH2 1 
HETATM 918  C  C   . MLY D 2 4  ? 9.29035  50.31393 32.33232 0.520 32.91427 ? 4   MLY P C   1 
HETATM 919  O  O   . MLY D 2 4  ? 9.10935  49.15282 32.69342 0.700 30.39330 ? 4   MLY P O   1 
ATOM   920  N  N   . GLN D 2 5  ? 8.29721  51.16624 32.12217 0.930 37.15783 ? 5   GLN P N   1 
ATOM   921  C  CA  . GLN D 2 5  ? 6.91315  50.73286 32.20223 0.720 38.11679 ? 5   GLN P CA  1 
ATOM   922  C  C   . GLN D 2 5  ? 6.01129  51.70511 31.45611 1.000 41.92434 ? 5   GLN P C   1 
ATOM   923  O  O   . GLN D 2 5  ? 5.74617  52.81815 31.91607 0.440 38.85978 ? 5   GLN P O   1 
ATOM   924  C  CB  . GLN D 2 5  ? 6.46648  50.60262 33.65399 0.660 34.54256 ? 5   GLN P CB  1 
ATOM   925  C  CG  . GLN D 2 5  ? 4.97291  50.41323 33.81122 0.700 42.97019 ? 5   GLN P CG  1 
ATOM   926  C  CD  . GLN D 2 5  ? 4.59467  49.95163 35.19640 0.350 34.12168 ? 5   GLN P CD  1 
ATOM   927  O  OE1 . GLN D 2 5  ? 3.69082  49.13505 35.36395 0.370 38.51921 ? 5   GLN P OE1 1 
ATOM   928  N  NE2 . GLN D 2 5  ? 5.28819  50.47379 36.20446 0.610 40.21195 ? 5   GLN P NE2 1 
ATOM   929  N  N   . THR D 2 6  ? 5.54037  51.27317 30.29697 0.820 42.20217 ? 6   THR P N   1 
ATOM   930  C  CA  . THR D 2 6  ? 4.70464  52.10940 29.45730 0.130 34.13930 ? 6   THR P CA  1 
ATOM   931  C  C   . THR D 2 6  ? 3.24697  51.69002 29.55452 0.690 42.00936 ? 6   THR P C   1 
ATOM   932  O  O   . THR D 2 6  ? 2.49022  52.22589 30.36221 1.000 52.91573 ? 6   THR P O   1 
ATOM   933  C  CB  . THR D 2 6  ? 5.14986  52.04315 28.00475 0.400 38.26021 ? 6   THR P CB  1 
ATOM   934  O  OG1 . THR D 2 6  ? 5.04190  50.68923 27.55651 0.400 41.42974 ? 6   THR P OG1 1 
ATOM   935  C  CG2 . THR D 2 6  ? 6.59631  52.49664 27.87330 0.400 38.91171 ? 6   THR P CG2 1 
HETATM 936  ZN ZN  . ZN  E 3 .  ? 14.18376 45.97557 12.78358 0.600 26.12307 ? 101 ZN  A ZN  1 
HETATM 937  ZN ZN  . ZN  F 3 .  ? 13.20267 32.11435 11.42126 0.540 20.78186 ? 102 ZN  A ZN  1 
HETATM 938  ZN ZN  . ZN  G 3 .  ? 7.13838  38.17332 27.82043 0.510 18.34961 ? 101 ZN  B ZN  1 
HETATM 939  ZN ZN  . ZN  H 3 .  ? 21.02374 39.16775 26.46446 0.620 25.03385 ? 102 ZN  B ZN  1 
HETATM 940  O  O   . HOH I 4 .  ? 15.05616 32.85002 0.88889  1.000 44.64167 ? 201 HOH A O   1 
HETATM 941  O  O   . HOH I 4 .  ? 24.69430 41.59509 15.32697 1.000 40.57990 ? 202 HOH A O   1 
HETATM 942  O  O   . HOH I 4 .  ? 6.61492  39.41481 14.45308 0.700 32.78183 ? 203 HOH A O   1 
HETATM 943  O  O   . HOH I 4 .  ? 4.75167  43.72825 12.39305 0.510 29.55031 ? 204 HOH A O   1 
HETATM 944  O  O   . HOH I 4 .  ? 22.87286 35.61622 20.34248 0.660 29.10668 ? 205 HOH A O   1 
HETATM 945  O  O   . HOH I 4 .  ? 10.35074 32.74262 20.59006 0.610 27.00804 ? 206 HOH A O   1 
HETATM 946  O  O   . HOH I 4 .  ? 6.70310  46.86402 16.99057 0.630 32.07390 ? 207 HOH A O   1 
HETATM 947  O  O   . HOH I 4 .  ? 10.21216 39.91060 4.29114  0.540 31.76661 ? 208 HOH A O   1 
HETATM 948  O  O   . HOH I 4 .  ? 21.78496 44.56049 7.30699  0.510 29.68954 ? 209 HOH A O   1 
HETATM 949  O  O   . HOH I 4 .  ? 21.94386 42.16826 16.78816 0.620 24.23775 ? 210 HOH A O   1 
HETATM 950  O  O   . HOH I 4 .  ? 9.50022  38.60986 17.67328 1.000 29.31653 ? 211 HOH A O   1 
HETATM 951  O  O   . HOH I 4 .  ? 17.40361 31.03884 5.84619  0.580 24.63154 ? 212 HOH A O   1 
HETATM 952  O  O   . HOH I 4 .  ? 19.60765 29.49290 4.10931  1.000 41.08951 ? 213 HOH A O   1 
HETATM 953  O  O   . HOH I 4 .  ? 9.88653  35.86500 17.51528 1.000 35.67130 ? 214 HOH A O   1 
HETATM 954  O  O   . HOH I 4 .  ? 13.89394 33.97644 16.36875 0.680 20.05994 ? 215 HOH A O   1 
HETATM 955  O  O   . HOH I 4 .  ? 28.748   38.219   19.611   0.480 30.56567 ? 216 HOH A O   1 
HETATM 956  O  O   . HOH I 4 .  ? 7.16587  40.34876 3.53160  0.520 31.44494 ? 217 HOH A O   1 
HETATM 957  O  O   . HOH I 4 .  ? 15.50286 38.24538 -2.24212 1.000 44.51479 ? 218 HOH A O   1 
HETATM 958  O  O   . HOH I 4 .  ? 23.24575 45.58298 8.83245  0.500 28.81379 ? 219 HOH A O   1 
HETATM 959  O  O   . HOH I 4 .  ? 19.50249 28.83238 21.60374 1.000 37.02498 ? 220 HOH A O   1 
HETATM 960  O  O   . HOH I 4 .  ? 14.21632 35.00945 18.77058 1.000 25.53787 ? 221 HOH A O   1 
HETATM 961  O  O   . HOH I 4 .  ? 13.26929 43.98839 16.57738 0.960 26.23108 ? 222 HOH A O   1 
HETATM 962  O  O   . HOH I 4 .  ? 22.96721 36.31888 24.10413 1.000 37.30904 ? 223 HOH A O   1 
HETATM 963  O  O   . HOH I 4 .  ? 8.01093  51.40642 8.30052  1.000 48.32617 ? 224 HOH A O   1 
HETATM 964  O  O   . HOH I 4 .  ? 29.06177 39.77107 17.47964 0.590 24.78139 ? 225 HOH A O   1 
HETATM 965  O  O   . HOH I 4 .  ? 18.68283 48.17203 18.30023 0.710 25.48937 ? 226 HOH A O   1 
HETATM 966  O  O   . HOH I 4 .  ? 19.54063 43.97569 18.32789 0.610 18.22096 ? 227 HOH A O   1 
HETATM 967  O  O   . HOH I 4 .  ? 20.01289 53.95738 2.01669  1.000 49.70167 ? 228 HOH A O   1 
HETATM 968  O  O   . HOH I 4 .  ? 3.38874  42.27687 15.94216 1.000 51.75129 ? 229 HOH A O   1 
HETATM 969  O  O   . HOH I 4 .  ? 7.65081  37.84765 2.84319  1.000 54.54555 ? 230 HOH A O   1 
HETATM 970  O  O   . HOH I 4 .  ? 22.11612 28.14938 17.57807 0.490 33.80376 ? 231 HOH A O   1 
HETATM 971  O  O   . HOH I 4 .  ? 12.42271 38.92047 -1.68553 1.000 53.08731 ? 232 HOH A O   1 
HETATM 972  O  O   . HOH I 4 .  ? 25.60150 44.25721 14.96764 1.000 51.08289 ? 233 HOH A O   1 
HETATM 973  O  O   . HOH I 4 .  ? 14.88892 37.77313 -5.20569 1.000 55.96302 ? 234 HOH A O   1 
HETATM 974  O  O   . HOH I 4 .  ? 5.93000  46.92522 3.56841  1.000 50.46519 ? 235 HOH A O   1 
HETATM 975  O  O   . HOH I 4 .  ? 6.99296  51.19642 4.09127  1.000 48.28787 ? 236 HOH A O   1 
HETATM 976  O  O   . HOH I 4 .  ? 6.96435  31.90735 7.18287  1.000 48.54899 ? 237 HOH A O   1 
HETATM 977  O  O   . HOH I 4 .  ? 4.24665  40.19273 13.16523 0.790 33.64300 ? 238 HOH A O   1 
HETATM 978  O  O   . HOH I 4 .  ? 6.51787  38.90429 16.97036 1.000 32.28129 ? 239 HOH A O   1 
HETATM 979  O  O   . HOH I 4 .  ? 12.83816 32.29506 0.40913  1.000 45.18983 ? 240 HOH A O   1 
HETATM 980  O  O   . HOH I 4 .  ? 5.01206  50.43888 3.08932  1.000 52.72615 ? 241 HOH A O   1 
HETATM 981  O  O   . HOH I 4 .  ? 21.96856 44.58995 18.55708 0.490 24.56517 ? 242 HOH A O   1 
HETATM 982  O  O   . HOH J 4 .  ? 8.07170  39.78846 38.36191 0.490 35.28797 ? 201 HOH B O   1 
HETATM 983  O  O   . HOH J 4 .  ? 15.17566 35.57626 34.97406 0.580 26.31301 ? 202 HOH B O   1 
HETATM 984  O  O   . HOH J 4 .  ? 11.44678 48.01875 15.44689 0.460 23.03756 ? 203 HOH B O   1 
HETATM 985  O  O   . HOH J 4 .  ? 21.73426 31.44473 22.00529 0.640 30.77917 ? 204 HOH B O   1 
HETATM 986  O  O   . HOH J 4 .  ? 8.97724  49.71495 22.16025 1.000 46.60775 ? 205 HOH B O   1 
HETATM 987  O  O   . HOH J 4 .  ? 10.35663 48.04636 19.30137 0.680 30.17894 ? 206 HOH B O   1 
HETATM 988  O  O   . HOH J 4 .  ? 7.75725  35.54320 18.51168 0.610 21.18471 ? 207 HOH B O   1 
HETATM 989  O  O   . HOH J 4 .  ? 16.58606 50.14629 24.55131 0.390 28.42078 ? 208 HOH B O   1 
HETATM 990  O  O   . HOH J 4 .  ? 13.22509 40.40391 41.53964 1.000 44.31977 ? 209 HOH B O   1 
HETATM 991  O  O   . HOH J 4 .  ? 6.11713  42.58532 33.35723 0.540 22.32785 ? 210 HOH B O   1 
HETATM 992  O  O   . HOH J 4 .  ? 10.93007 35.50205 21.68947 1.000 34.57676 ? 211 HOH B O   1 
HETATM 993  O  O   . HOH J 4 .  ? 19.76509 39.08689 37.94355 1.000 42.55934 ? 212 HOH B O   1 
HETATM 994  O  O   . HOH J 4 .  ? 17.30936 46.91328 22.33845 0.570 20.30999 ? 213 HOH B O   1 
HETATM 995  O  O   . HOH J 4 .  ? 18.62764 29.50228 26.63493 1.000 45.13512 ? 214 HOH B O   1 
HETATM 996  O  O   . HOH J 4 .  ? 1.528    41.343   37.132   0.500 26.39393 ? 215 HOH B O   1 
HETATM 997  O  O   . HOH J 4 .  ? 23.07910 43.63353 21.07225 0.510 20.66540 ? 216 HOH B O   1 
HETATM 998  O  O   . HOH J 4 .  ? 19.34901 37.52069 34.76289 0.700 27.08094 ? 217 HOH B O   1 
HETATM 999  O  O   . HOH J 4 .  ? 18.99836 38.31560 22.82499 0.860 23.18906 ? 218 HOH B O   1 
HETATM 1000 O  O   . HOH J 4 .  ? 9.03735  38.88211 22.71059 0.700 18.43279 ? 219 HOH B O   1 
HETATM 1001 O  O   . HOH J 4 .  ? 3.50610  47.08977 21.86662 1.000 43.10953 ? 220 HOH B O   1 
HETATM 1002 O  O   . HOH J 4 .  ? 10.10202 39.07403 20.46620 1.000 26.60969 ? 221 HOH B O   1 
HETATM 1003 O  O   . HOH J 4 .  ? 27.18124 45.15424 25.76185 0.750 37.69944 ? 222 HOH B O   1 
HETATM 1004 O  O   . HOH J 4 .  ? 20.74878 48.22128 30.40139 0.560 27.58663 ? 223 HOH B O   1 
HETATM 1005 O  O   . HOH J 4 .  ? 21.18451 36.38479 35.80251 0.580 30.62739 ? 224 HOH B O   1 
HETATM 1006 O  O   . HOH J 4 .  ? 22.53854 48.87292 38.35368 1.000 51.62806 ? 225 HOH B O   1 
HETATM 1007 O  O   . HOH J 4 .  ? 19.15845 44.61873 20.89748 0.510 18.28572 ? 226 HOH B O   1 
HETATM 1008 O  O   . HOH J 4 .  ? 14.67740 54.21214 22.00722 1.000 38.63952 ? 227 HOH B O   1 
HETATM 1009 O  O   . HOH J 4 .  ? 13.61065 34.49615 21.23622 0.550 19.79103 ? 228 HOH B O   1 
HETATM 1010 O  O   . HOH J 4 .  ? 5.02165  43.60735 35.85694 1.000 49.99053 ? 229 HOH B O   1 
HETATM 1011 O  O   . HOH J 4 .  ? 21.94567 27.56003 34.61371 1.000 58.97154 ? 230 HOH B O   1 
HETATM 1012 O  O   . HOH J 4 .  ? 22.05307 30.48230 35.36587 1.000 44.79624 ? 231 HOH B O   1 
HETATM 1013 O  O   . HOH J 4 .  ? 4.05390  37.05592 31.57532 0.630 37.55709 ? 232 HOH B O   1 
HETATM 1014 O  O   . HOH J 4 .  ? 3.53855  39.81103 17.90608 1.000 54.69317 ? 233 HOH B O   1 
HETATM 1015 O  O   . HOH J 4 .  ? 6.89291  37.36267 38.40920 1.000 45.01006 ? 234 HOH B O   1 
HETATM 1016 O  O   . HOH J 4 .  ? 32.46975 42.27616 31.18757 0.530 29.58395 ? 235 HOH B O   1 
HETATM 1017 O  O   . HOH J 4 .  ? 24.32074 27.15098 34.39670 1.000 54.64602 ? 236 HOH B O   1 
HETATM 1018 O  O   . HOH J 4 .  ? 19.38117 46.94468 20.78545 0.410 19.75675 ? 237 HOH B O   1 
HETATM 1019 O  O   . HOH J 4 .  ? 25.40222 29.91344 36.12347 1.000 47.74019 ? 238 HOH B O   1 
HETATM 1020 O  O   . HOH K 4 .  ? 24.32364 31.35397 10.04539 0.700 33.42023 ? 101 HOH T O   1 
HETATM 1021 O  O   . HOH K 4 .  ? 28.65743 27.14548 6.81944  1.000 55.72369 ? 102 HOH T O   1 
HETATM 1022 O  O   . HOH K 4 .  ? 25.54679 29.69323 0.79907  1.000 54.07597 ? 103 HOH T O   1 
HETATM 1023 O  O   . HOH K 4 .  ? 25.18597 41.63878 1.17161  1.000 50.97422 ? 104 HOH T O   1 
HETATM 1024 O  O   . HOH K 4 .  ? 26.27602 35.71897 3.91848  1.000 47.28642 ? 105 HOH T O   1 
HETATM 1025 O  O   . HOH K 4 .  ? 29.78541 29.21803 2.69841  1.000 48.80440 ? 106 HOH T O   1 
HETATM 1026 O  O   . HOH L 4 .  ? 0.41270  52.88165 31.49686 1.000 53.89195 ? 101 HOH P O   1 
HETATM 1027 O  O   . HOH L 4 .  ? 6.52247  49.05999 29.34658 0.580 33.48778 ? 102 HOH P O   1 
HETATM 1028 O  O   . HOH L 4 .  ? 1.48680  47.97373 34.39160 1.000 45.34061 ? 103 HOH P O   1 
HETATM 1029 O  O   . HOH L 4 .  ? 5.34256  54.97734 30.27067 1.000 49.35777 ? 104 HOH P O   1 
HETATM 1030 O  O   . HOH L 4 .  ? 2.48675  53.58170 33.69188 1.000 50.07785 ? 105 HOH P O   1 
HETATM 1031 O  O   . HOH L 4 .  ? 4.22195  54.18053 36.83197 1.000 47.65362 ? 106 HOH P O   1 
HETATM 1032 O  O   . HOH L 4 .  ? -0.04458 54.28435 34.88665 1.000 42.13874 ? 107 HOH P O   1 
# 
