data_9DCW
# 
_entry.id   9DCW 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.403 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   9DCW         pdb_00009dcw 10.2210/pdb9dcw/pdb 
WWPDB D_1000286084 ?            ?                   
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
_pdbx_audit_revision_history.part_number 
1 'Structure model' 1 0 2025-03-26 ? 
2 'Structure model' 1 1 2025-05-21 ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_audit_revision_group.ordinal             1 
_pdbx_audit_revision_group.revision_ordinal    2 
_pdbx_audit_revision_group.data_content_type   'Structure model' 
_pdbx_audit_revision_group.group               'Database references' 
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1 2 'Structure model' citation        
2 2 'Structure model' citation_author 
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1 2 'Structure model' '_citation.journal_volume'          
2 2 'Structure model' '_citation.page_first'              
3 2 'Structure model' '_citation.page_last'               
4 2 'Structure model' '_citation_author.identifier_ORCID' 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9DCW 
_pdbx_database_status.recvd_initial_deposition_date   2024-08-27 
_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           N 
# 
_pdbx_contact_author.id                 3 
_pdbx_contact_author.email              michael.salcius@novartis.com 
_pdbx_contact_author.name_first         Michael 
_pdbx_contact_author.name_last          Salcius 
_pdbx_contact_author.name_mi            J. 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-6695-6513 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Salcius, M.J.' 1 0000-0001-6695-6513 
'King, D.A.'    2 0000-0002-2581-2318 
'Clark, K.'     3 0000-0001-8424-4798 
# 
_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            'Rsc Chem Biol' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           2633-0679 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            6 
_citation.language                  ? 
_citation.page_first                788 
_citation.page_last                 799 
_citation.title                     
'Identification and characterization of ternary complexes consisting of FKBP12, MAPRE1 and macrocyclic molecular glues.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1039/d4cb00279b 
_citation.pdbx_database_id_PubMed   40059881 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Salcius, M.'  1  ? 
primary 'Tutter, A.'   2  ? 
primary 'Fouche, M.'   3  ? 
primary 'Koc, H.'      4  ? 
primary 'King, D.'     5  ? 
primary 'Dhembi, A.'   6  ? 
primary 'Golosov, A.'  7  ? 
primary 'Jahnke, W.'   8  ? 
primary 'Henry, C.'    9  ? 
primary 'Argoti, D.'   10 ? 
primary 'Jia, W.'      11 ? 
primary 'Pedro, L.'    12 ? 
primary 'Connor, L.'   13 ? 
primary 'Piechon, P.'  14 ? 
primary 'Fabbiani, F.' 15 ? 
primary 'Denay, R.'    16 ? 
primary 'Sager, E.'    17 ? 
primary 'Kuehnoel, J.' 18 ? 
primary 'Lozach, M.A.' 19 ? 
primary 'Lima, F.'     20 ? 
primary 'Vitrey, A.'   21 ? 
primary 'Chen, S.Y.'   22 ? 
primary 'Michaud, G.'  23 ? 
primary 'Roth, H.J.'   24 ? 
# 
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 'Peptidyl-prolyl cis-trans isomerase FKBP1A' 12054.782 1  5.2.1.8 ? ? ? 
2 non-polymer syn 
;(5S,14R,16aS,21R,28S,30aR)-14-[2-(3,4-dimethoxyphenyl)ethyl]-24,24,28-trimethyl-2-methylidene-1,3,4,17,18,19,20,24,25,28,29,30a-dodecahydro-2H,14H-9,13-(metheno)dipyrido[1,2-d:1',2'-o][1,10,18,4,7,15]trioxatriazacyclotetracosine-6,16,22,23,27,30(7H,16aH)-hexone
;
761.857   1  ?       ? ? ? 
3 water       nat water 18.015    97 ?       ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;PPIase FKBP1A,12 kDa FK506-binding protein,12 kDa FKBP,FKBP-12,Calstabin-1,FK506-binding protein 1A,FKBP-1A,Immunophilin FKBP12,Rotamase
;
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;SMGVQVETISPGDGRTFPKRGQTCVVHYTGMLEDGKKFDSSRDRNKPFKFMLGKQEVIRGWEEGVAQMSVGQRAKLTISP
DYAYGATGHPGIIPPHATLVFDVELLKLE
;
_entity_poly.pdbx_seq_one_letter_code_can   
;SMGVQVETISPGDGRTFPKRGQTCVVHYTGMLEDGKKFDSSRDRNKPFKFMLGKQEVIRGWEEGVAQMSVGQRAKLTISP
DYAYGATGHPGIIPPHATLVFDVELLKLE
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 
;(5S,14R,16aS,21R,28S,30aR)-14-[2-(3,4-dimethoxyphenyl)ethyl]-24,24,28-trimethyl-2-methylidene-1,3,4,17,18,19,20,24,25,28,29,30a-dodecahydro-2H,14H-9,13-(metheno)dipyrido[1,2-d:1',2'-o][1,10,18,4,7,15]trioxatriazacyclotetracosine-6,16,22,23,27,30(7H,16aH)-hexone
;
A1AZI 
3 water HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   SER n 
1 2   MET n 
1 3   GLY n 
1 4   VAL n 
1 5   GLN n 
1 6   VAL n 
1 7   GLU n 
1 8   THR n 
1 9   ILE n 
1 10  SER n 
1 11  PRO n 
1 12  GLY n 
1 13  ASP n 
1 14  GLY n 
1 15  ARG n 
1 16  THR n 
1 17  PHE n 
1 18  PRO n 
1 19  LYS n 
1 20  ARG n 
1 21  GLY n 
1 22  GLN n 
1 23  THR n 
1 24  CYS n 
1 25  VAL n 
1 26  VAL n 
1 27  HIS n 
1 28  TYR n 
1 29  THR n 
1 30  GLY n 
1 31  MET n 
1 32  LEU n 
1 33  GLU n 
1 34  ASP n 
1 35  GLY n 
1 36  LYS n 
1 37  LYS n 
1 38  PHE n 
1 39  ASP n 
1 40  SER n 
1 41  SER n 
1 42  ARG n 
1 43  ASP n 
1 44  ARG n 
1 45  ASN n 
1 46  LYS n 
1 47  PRO n 
1 48  PHE n 
1 49  LYS n 
1 50  PHE n 
1 51  MET n 
1 52  LEU n 
1 53  GLY n 
1 54  LYS n 
1 55  GLN n 
1 56  GLU n 
1 57  VAL n 
1 58  ILE n 
1 59  ARG n 
1 60  GLY n 
1 61  TRP n 
1 62  GLU n 
1 63  GLU n 
1 64  GLY n 
1 65  VAL n 
1 66  ALA n 
1 67  GLN n 
1 68  MET n 
1 69  SER n 
1 70  VAL n 
1 71  GLY n 
1 72  GLN n 
1 73  ARG n 
1 74  ALA n 
1 75  LYS n 
1 76  LEU n 
1 77  THR n 
1 78  ILE n 
1 79  SER n 
1 80  PRO n 
1 81  ASP n 
1 82  TYR n 
1 83  ALA n 
1 84  TYR n 
1 85  GLY n 
1 86  ALA n 
1 87  THR n 
1 88  GLY n 
1 89  HIS n 
1 90  PRO n 
1 91  GLY n 
1 92  ILE n 
1 93  ILE n 
1 94  PRO n 
1 95  PRO n 
1 96  HIS n 
1 97  ALA n 
1 98  THR n 
1 99  LEU n 
1 100 VAL n 
1 101 PHE n 
1 102 ASP n 
1 103 VAL n 
1 104 GLU n 
1 105 LEU n 
1 106 LEU n 
1 107 LYS n 
1 108 LEU n 
1 109 GLU n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   109 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'FKBP1A, FKBP1, FKBP12' 
_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                   ? 
# 
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 
A1AZI non-polymer         . 
;(5S,14R,16aS,21R,28S,30aR)-14-[2-(3,4-dimethoxyphenyl)ethyl]-24,24,28-trimethyl-2-methylidene-1,3,4,17,18,19,20,24,25,28,29,30a-dodecahydro-2H,14H-9,13-(metheno)dipyrido[1,2-d:1',2'-o][1,10,18,4,7,15]trioxatriazacyclotetracosine-6,16,22,23,27,30(7H,16aH)-hexone
;
? 'C41 H51 N3 O11' 761.857 
ALA   'L-peptide linking' y ALANINE ? 'C3 H7 N O2'     89.093  
ARG   'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 
ASN   'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3'    132.118 
ASP   'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'     133.103 
CYS   'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S'   121.158 
GLN   'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3'   146.144 
GLU   'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'     147.129 
GLY   'peptide linking'   y GLYCINE ? 'C2 H5 N O2'     75.067  
HIS   'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 
HOH   non-polymer         . WATER ? 'H2 O'           18.015  
ILE   'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2'    131.173 
LEU   'L-peptide linking' y LEUCINE ? 'C6 H13 N O2'    131.173 
LYS   'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 
MET   'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S'  149.211 
PHE   'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2'    165.189 
PRO   'L-peptide linking' y PROLINE ? 'C5 H9 N O2'     115.130 
SER   'L-peptide linking' y SERINE ? 'C3 H7 N O3'     105.093 
THR   'L-peptide linking' y THREONINE ? 'C4 H9 N O3'     119.119 
TRP   'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2'  204.225 
TYR   'L-peptide linking' y TYROSINE ? 'C9 H11 N O3'    181.189 
VAL   'L-peptide linking' y VALINE ? 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   SER 1   -1  -1  SER SER A . n 
A 1 2   MET 2   0   0   MET MET A . n 
A 1 3   GLY 3   1   1   GLY GLY A . n 
A 1 4   VAL 4   2   2   VAL VAL A . n 
A 1 5   GLN 5   3   3   GLN GLN A . n 
A 1 6   VAL 6   4   4   VAL VAL A . n 
A 1 7   GLU 7   5   5   GLU GLU A . n 
A 1 8   THR 8   6   6   THR THR A . n 
A 1 9   ILE 9   7   7   ILE ILE A . n 
A 1 10  SER 10  8   8   SER SER A . n 
A 1 11  PRO 11  9   9   PRO PRO A . n 
A 1 12  GLY 12  10  10  GLY GLY A . n 
A 1 13  ASP 13  11  11  ASP ASP A . n 
A 1 14  GLY 14  12  12  GLY GLY A . n 
A 1 15  ARG 15  13  13  ARG ARG A . n 
A 1 16  THR 16  14  14  THR THR A . n 
A 1 17  PHE 17  15  15  PHE PHE A . n 
A 1 18  PRO 18  16  16  PRO PRO A . n 
A 1 19  LYS 19  17  17  LYS LYS A . n 
A 1 20  ARG 20  18  18  ARG ARG A . n 
A 1 21  GLY 21  19  19  GLY GLY A . n 
A 1 22  GLN 22  20  20  GLN GLN A . n 
A 1 23  THR 23  21  21  THR THR A . n 
A 1 24  CYS 24  22  22  CYS CYS A . n 
A 1 25  VAL 25  23  23  VAL VAL A . n 
A 1 26  VAL 26  24  24  VAL VAL A . n 
A 1 27  HIS 27  25  25  HIS HIS A . n 
A 1 28  TYR 28  26  26  TYR TYR A . n 
A 1 29  THR 29  27  27  THR THR A . n 
A 1 30  GLY 30  28  28  GLY GLY A . n 
A 1 31  MET 31  29  29  MET MET A . n 
A 1 32  LEU 32  30  30  LEU LEU A . n 
A 1 33  GLU 33  31  31  GLU GLU A . n 
A 1 34  ASP 34  32  32  ASP ASP A . n 
A 1 35  GLY 35  33  33  GLY GLY A . n 
A 1 36  LYS 36  34  34  LYS LYS A . n 
A 1 37  LYS 37  35  35  LYS LYS A . n 
A 1 38  PHE 38  36  36  PHE PHE A . n 
A 1 39  ASP 39  37  37  ASP ASP A . n 
A 1 40  SER 40  38  38  SER SER A . n 
A 1 41  SER 41  39  39  SER SER A . n 
A 1 42  ARG 42  40  40  ARG ARG A . n 
A 1 43  ASP 43  41  41  ASP ASP A . n 
A 1 44  ARG 44  42  42  ARG ARG A . n 
A 1 45  ASN 45  43  43  ASN ASN A . n 
A 1 46  LYS 46  44  44  LYS LYS A . n 
A 1 47  PRO 47  45  45  PRO PRO A . n 
A 1 48  PHE 48  46  46  PHE PHE A . n 
A 1 49  LYS 49  47  47  LYS LYS A . n 
A 1 50  PHE 50  48  48  PHE PHE A . n 
A 1 51  MET 51  49  49  MET MET A . n 
A 1 52  LEU 52  50  50  LEU LEU A . n 
A 1 53  GLY 53  51  51  GLY GLY A . n 
A 1 54  LYS 54  52  52  LYS LYS A . n 
A 1 55  GLN 55  53  53  GLN GLN A . n 
A 1 56  GLU 56  54  54  GLU GLU A . n 
A 1 57  VAL 57  55  55  VAL VAL A . n 
A 1 58  ILE 58  56  56  ILE ILE A . n 
A 1 59  ARG 59  57  57  ARG ARG A . n 
A 1 60  GLY 60  58  58  GLY GLY A . n 
A 1 61  TRP 61  59  59  TRP TRP A . n 
A 1 62  GLU 62  60  60  GLU GLU A . n 
A 1 63  GLU 63  61  61  GLU GLU A . n 
A 1 64  GLY 64  62  62  GLY GLY A . n 
A 1 65  VAL 65  63  63  VAL VAL A . n 
A 1 66  ALA 66  64  64  ALA ALA A . n 
A 1 67  GLN 67  65  65  GLN GLN A . n 
A 1 68  MET 68  66  66  MET MET A . n 
A 1 69  SER 69  67  67  SER SER A . n 
A 1 70  VAL 70  68  68  VAL VAL A . n 
A 1 71  GLY 71  69  69  GLY GLY A . n 
A 1 72  GLN 72  70  70  GLN GLN A . n 
A 1 73  ARG 73  71  71  ARG ARG A . n 
A 1 74  ALA 74  72  72  ALA ALA A . n 
A 1 75  LYS 75  73  73  LYS LYS A . n 
A 1 76  LEU 76  74  74  LEU LEU A . n 
A 1 77  THR 77  75  75  THR THR A . n 
A 1 78  ILE 78  76  76  ILE ILE A . n 
A 1 79  SER 79  77  77  SER SER A . n 
A 1 80  PRO 80  78  78  PRO PRO A . n 
A 1 81  ASP 81  79  79  ASP ASP A . n 
A 1 82  TYR 82  80  80  TYR TYR A . n 
A 1 83  ALA 83  81  81  ALA ALA A . n 
A 1 84  TYR 84  82  82  TYR TYR A . n 
A 1 85  GLY 85  83  83  GLY GLY A . n 
A 1 86  ALA 86  84  84  ALA ALA A . n 
A 1 87  THR 87  85  85  THR THR A . n 
A 1 88  GLY 88  86  86  GLY GLY A . n 
A 1 89  HIS 89  87  87  HIS HIS A . n 
A 1 90  PRO 90  88  88  PRO PRO A . n 
A 1 91  GLY 91  89  89  GLY GLY A . n 
A 1 92  ILE 92  90  90  ILE ILE A . n 
A 1 93  ILE 93  91  91  ILE ILE A . n 
A 1 94  PRO 94  92  92  PRO PRO A . n 
A 1 95  PRO 95  93  93  PRO PRO A . n 
A 1 96  HIS 96  94  94  HIS HIS A . n 
A 1 97  ALA 97  95  95  ALA ALA A . n 
A 1 98  THR 98  96  96  THR THR A . n 
A 1 99  LEU 99  97  97  LEU LEU A . n 
A 1 100 VAL 100 98  98  VAL VAL A . n 
A 1 101 PHE 101 99  99  PHE PHE A . n 
A 1 102 ASP 102 100 100 ASP ASP A . n 
A 1 103 VAL 103 101 101 VAL VAL A . n 
A 1 104 GLU 104 102 102 GLU GLU A . n 
A 1 105 LEU 105 103 103 LEU LEU A . n 
A 1 106 LEU 106 104 104 LEU LEU A . n 
A 1 107 LYS 107 105 105 LYS LYS A . n 
A 1 108 LEU 108 106 106 LEU LEU A . n 
A 1 109 GLU 109 107 107 GLU GLU A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1AZI 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1AZI 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 A1AZI 1  201 1   A1AZI LI1 A . 
C 3 HOH   1  301 107 HOH   HOH A . 
C 3 HOH   2  302 54  HOH   HOH A . 
C 3 HOH   3  303 109 HOH   HOH A . 
C 3 HOH   4  304 72  HOH   HOH A . 
C 3 HOH   5  305 7   HOH   HOH A . 
C 3 HOH   6  306 103 HOH   HOH A . 
C 3 HOH   7  307 108 HOH   HOH A . 
C 3 HOH   8  308 101 HOH   HOH A . 
C 3 HOH   9  309 69  HOH   HOH A . 
C 3 HOH   10 310 24  HOH   HOH A . 
C 3 HOH   11 311 43  HOH   HOH A . 
C 3 HOH   12 312 31  HOH   HOH A . 
C 3 HOH   13 313 78  HOH   HOH A . 
C 3 HOH   14 314 105 HOH   HOH A . 
C 3 HOH   15 315 106 HOH   HOH A . 
C 3 HOH   16 316 59  HOH   HOH A . 
C 3 HOH   17 317 29  HOH   HOH A . 
C 3 HOH   18 318 13  HOH   HOH A . 
C 3 HOH   19 319 100 HOH   HOH A . 
C 3 HOH   20 320 104 HOH   HOH A . 
C 3 HOH   21 321 26  HOH   HOH A . 
C 3 HOH   22 322 21  HOH   HOH A . 
C 3 HOH   23 323 22  HOH   HOH A . 
C 3 HOH   24 324 44  HOH   HOH A . 
C 3 HOH   25 325 4   HOH   HOH A . 
C 3 HOH   26 326 14  HOH   HOH A . 
C 3 HOH   27 327 25  HOH   HOH A . 
C 3 HOH   28 328 23  HOH   HOH A . 
C 3 HOH   29 329 37  HOH   HOH A . 
C 3 HOH   30 330 17  HOH   HOH A . 
C 3 HOH   31 331 47  HOH   HOH A . 
C 3 HOH   32 332 51  HOH   HOH A . 
C 3 HOH   33 333 94  HOH   HOH A . 
C 3 HOH   34 334 49  HOH   HOH A . 
C 3 HOH   35 335 28  HOH   HOH A . 
C 3 HOH   36 336 6   HOH   HOH A . 
C 3 HOH   37 337 99  HOH   HOH A . 
C 3 HOH   38 338 10  HOH   HOH A . 
C 3 HOH   39 339 90  HOH   HOH A . 
C 3 HOH   40 340 41  HOH   HOH A . 
C 3 HOH   41 341 91  HOH   HOH A . 
C 3 HOH   42 342 12  HOH   HOH A . 
C 3 HOH   43 343 52  HOH   HOH A . 
C 3 HOH   44 344 20  HOH   HOH A . 
C 3 HOH   45 345 62  HOH   HOH A . 
C 3 HOH   46 346 48  HOH   HOH A . 
C 3 HOH   47 347 1   HOH   HOH A . 
C 3 HOH   48 348 70  HOH   HOH A . 
C 3 HOH   49 349 5   HOH   HOH A . 
C 3 HOH   50 350 16  HOH   HOH A . 
C 3 HOH   51 351 38  HOH   HOH A . 
C 3 HOH   52 352 32  HOH   HOH A . 
C 3 HOH   53 353 55  HOH   HOH A . 
C 3 HOH   54 354 82  HOH   HOH A . 
C 3 HOH   55 355 19  HOH   HOH A . 
C 3 HOH   56 356 9   HOH   HOH A . 
C 3 HOH   57 357 66  HOH   HOH A . 
C 3 HOH   58 358 110 HOH   HOH A . 
C 3 HOH   59 359 2   HOH   HOH A . 
C 3 HOH   60 360 95  HOH   HOH A . 
C 3 HOH   61 361 77  HOH   HOH A . 
C 3 HOH   62 362 35  HOH   HOH A . 
C 3 HOH   63 363 86  HOH   HOH A . 
C 3 HOH   64 364 40  HOH   HOH A . 
C 3 HOH   65 365 81  HOH   HOH A . 
C 3 HOH   66 366 11  HOH   HOH A . 
C 3 HOH   67 367 34  HOH   HOH A . 
C 3 HOH   68 368 36  HOH   HOH A . 
C 3 HOH   69 369 102 HOH   HOH A . 
C 3 HOH   70 370 58  HOH   HOH A . 
C 3 HOH   71 371 18  HOH   HOH A . 
C 3 HOH   72 372 8   HOH   HOH A . 
C 3 HOH   73 373 15  HOH   HOH A . 
C 3 HOH   74 374 27  HOH   HOH A . 
C 3 HOH   75 375 46  HOH   HOH A . 
C 3 HOH   76 376 74  HOH   HOH A . 
C 3 HOH   77 377 84  HOH   HOH A . 
C 3 HOH   78 378 92  HOH   HOH A . 
C 3 HOH   79 379 75  HOH   HOH A . 
C 3 HOH   80 380 45  HOH   HOH A . 
C 3 HOH   81 381 88  HOH   HOH A . 
C 3 HOH   82 382 87  HOH   HOH A . 
C 3 HOH   83 383 63  HOH   HOH A . 
C 3 HOH   84 384 89  HOH   HOH A . 
C 3 HOH   85 385 61  HOH   HOH A . 
C 3 HOH   86 386 56  HOH   HOH A . 
C 3 HOH   87 387 98  HOH   HOH A . 
C 3 HOH   88 388 114 HOH   HOH A . 
C 3 HOH   89 389 76  HOH   HOH A . 
C 3 HOH   90 390 96  HOH   HOH A . 
C 3 HOH   91 391 60  HOH   HOH A . 
C 3 HOH   92 392 33  HOH   HOH A . 
C 3 HOH   93 393 73  HOH   HOH A . 
C 3 HOH   94 394 112 HOH   HOH A . 
C 3 HOH   95 395 53  HOH   HOH A . 
C 3 HOH   96 396 50  HOH   HOH A . 
C 3 HOH   97 397 80  HOH   HOH A . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement        ? ? ? ? ? ? ? ? ? ? ? PHENIX   ? ? ? 1.21.2_5419 1 
? 'data processing' ? ? ? ? ? ? ? ? ? ? ? autoPROC ? ? ? .           2 
? phasing           ? ? ? ? ? ? ? ? ? ? ? PHASER   ? ? ? .           3 
# 
_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                     9DCW 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     29.490 
_cell.length_a_esd                 ? 
_cell.length_b                     62.984 
_cell.length_b_esd                 ? 
_cell.length_c                     68.512 
_cell.length_c_esd                 ? 
_cell.volume                       127254.063 
_cell.volume_esd                   ? 
_cell.Z_PDB                        4 
_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                         9DCW 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                19 
_symmetry.space_group_name_Hall            'P 2ac 2ab' 
_symmetry.space_group_name_H-M             'P 21 21 21' 
_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                   9DCW 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.64 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          53.39 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '0.1 M CHES, 30% PEG3K (pH 9.5)' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            277.15 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER X 9M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2019-06-24 
_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   1.0 
_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                        'APS BEAMLINE 17-ID' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.0 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   17-ID 
_diffrn_source.pdbx_synchrotron_site       APS 
# 
_reflns.B_iso_Wilson_estimate                          20.18 
_reflns.entry_id                                       9DCW 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.721 
_reflns.d_resolution_low                               31.492 
_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                                     13998 
_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                           98.93 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                5.1 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          9.4 
_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                                .137 
_reflns.pdbx_Rpim_I_all                                .056 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   .993 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              .125 
_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                                    1.721 
_reflns_shell.d_res_low                                     1.78 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1239 
_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                               0.962 
_reflns_shell.pdbx_Rpim_I_all                               .962 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  .189 
_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                                  1.047 
_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                               28.49 
_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                                 9DCW 
_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                            1.721 
_refine.ls_d_res_low                             31.49 
_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                     13998 
_refine.ls_number_reflns_R_free                  652 
_refine.ls_number_reflns_R_work                  13346 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    98.93 
_refine.ls_percent_reflns_R_free                 4.66 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2164 
_refine.ls_R_factor_R_free                       0.2524 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2146 
_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                          1.38 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.1100 
_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                 35.4648 
_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                            0.2170 
_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                       1.721 
_refine_hist.d_res_low                        31.49 
_refine_hist.number_atoms_solvent             97 
_refine_hist.number_atoms_total               998 
_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        846 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         55 
_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' ? 0.0051  ? 930  ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.8397  ? 1259 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0519  ? 129  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0081  ? 162  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 24.9692 ? 351  ? 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' 1.721 1.78 . . 50 1239 93  . . . . 0.3787 . . . . . . . . . . . 0.4717 
'X-RAY DIFFRACTION' 1.78  1.85 . . 73 1301 99  . . . . 0.3090 . . . . . . . . . . . 0.3550 
'X-RAY DIFFRACTION' 1.85  1.94 . . 76 1300 99  . . . . 0.2636 . . . . . . . . . . . 0.3582 
'X-RAY DIFFRACTION' 1.94  2.04 . . 75 1308 100 . . . . 0.2235 . . . . . . . . . . . 0.2631 
'X-RAY DIFFRACTION' 2.04  2.17 . . 59 1327 100 . . . . 0.2338 . . . . . . . . . . . 0.3053 
# 
_struct.entry_id                     9DCW 
_struct.title                        'FKBP1a (FKBP12) co-crystal structure with macrocycle molecular glue' 
_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        9DCW 
_struct_keywords.text            'Molecular Glue, IMMUNOSUPPRESSANT' 
_struct_keywords.pdbx_keywords   IMMUNOSUPPRESSANT 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    FKB1A_HUMAN 
_struct_ref.pdbx_db_accession          P62942 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;MGVQVETISPGDGRTFPKRGQTCVVHYTGMLEDGKKFDSSRDRNKPFKFMLGKQEVIRGWEEGVAQMSVGQRAKLTISPD
YAYGATGHPGIIPPHATLVFDVELLKLE
;
_struct_ref.pdbx_align_begin           1 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9DCW 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 2 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 109 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P62942 
_struct_ref_seq.db_align_beg                  1 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  108 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       0 
_struct_ref_seq.pdbx_auth_seq_align_end       107 
# 
_struct_ref_seq_dif.align_id                     1 
_struct_ref_seq_dif.pdbx_pdb_id_code             9DCW 
_struct_ref_seq_dif.mon_id                       SER 
_struct_ref_seq_dif.pdbx_pdb_strand_id           A 
_struct_ref_seq_dif.seq_num                      1 
_struct_ref_seq_dif.pdbx_pdb_ins_code            ? 
_struct_ref_seq_dif.pdbx_seq_db_name             UNP 
_struct_ref_seq_dif.pdbx_seq_db_accession_code   P62942 
_struct_ref_seq_dif.db_mon_id                    ? 
_struct_ref_seq_dif.pdbx_seq_db_seq_num          ? 
_struct_ref_seq_dif.details                      'expression tag' 
_struct_ref_seq_dif.pdbx_auth_seq_num            -1 
_struct_ref_seq_dif.pdbx_ordinal                 1 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C 
# 
loop_
_pdbx_struct_assembly_auth_evidence.id 
_pdbx_struct_assembly_auth_evidence.assembly_id 
_pdbx_struct_assembly_auth_evidence.experimental_support 
_pdbx_struct_assembly_auth_evidence.details 
1 1 'gel filtration'            ? 
2 1 'surface plasmon resonance' ? 
# 
_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 ARG A 42 ? ASN A 45 ? ARG A 40 ASN A 43 5 ? 4  
HELX_P HELX_P2 AA2 ILE A 58 ? GLN A 67 ? ILE A 56 GLN A 65 1 ? 10 
HELX_P HELX_P3 AA3 PRO A 80 ? ALA A 83 ? PRO A 78 ALA A 81 5 ? 4  
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 5 ? 
AA2 ? 5 ? 
# 
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 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? 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 VAL A 4  ? SER A 10  ? VAL A 2  SER A 8   
AA1 2 ARG A 73 ? ILE A 78  ? ARG A 71 ILE A 76  
AA1 3 LEU A 99 ? GLU A 109 ? LEU A 97 GLU A 107 
AA1 4 THR A 23 ? LEU A 32  ? THR A 21 LEU A 30  
AA1 5 LYS A 37 ? SER A 40  ? LYS A 35 SER A 38  
AA2 1 VAL A 4  ? SER A 10  ? VAL A 2  SER A 8   
AA2 2 ARG A 73 ? ILE A 78  ? ARG A 71 ILE A 76  
AA2 3 LEU A 99 ? GLU A 109 ? LEU A 97 GLU A 107 
AA2 4 THR A 23 ? LEU A 32  ? THR A 21 LEU A 30  
AA2 5 PHE A 48 ? MET A 51  ? PHE A 46 MET A 49  
# 
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 N ILE A 9   ? N ILE A 7   O ARG A 73  ? O ARG A 71 
AA1 2 3 N LEU A 76  ? N LEU A 74  O PHE A 101 ? O PHE A 99 
AA1 3 4 O LEU A 106 ? O LEU A 104 N VAL A 25  ? N VAL A 23 
AA1 4 5 N GLY A 30  ? N GLY A 28  O ASP A 39  ? O ASP A 37 
AA2 1 2 N ILE A 9   ? N ILE A 7   O ARG A 73  ? O ARG A 71 
AA2 2 3 N LEU A 76  ? N LEU A 74  O PHE A 101 ? O PHE A 99 
AA2 3 4 O LEU A 106 ? O LEU A 104 N VAL A 25  ? N VAL A 23 
AA2 4 5 N CYS A 24  ? N CYS A 22  O PHE A 50  ? O PHE A 48 
# 
_pdbx_entry_details.entry_id                   9DCW 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ARG A 13 ? ? -134.58 -32.89  
2 1 ALA A 81 ? ? -128.61 -111.78 
3 1 ILE A 90 ? ? -138.35 -56.57  
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1 x,y,z           
2 x+1/2,-y+1/2,-z 
3 -x,y+1/2,-z+1/2 
4 -x+1/2,-y,z+1/2 
# 
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 
A1AZI C1   C Y N 1   
A1AZI C2   C Y N 2   
A1AZI C3   C Y N 3   
A1AZI O1   O N N 4   
A1AZI O2   O N N 5   
A1AZI O3   O N N 6   
A1AZI C41  C N N 7   
A1AZI C11  C Y N 8   
A1AZI C12  C Y N 9   
A1AZI C13  C Y N 10  
A1AZI C14  C Y N 11  
A1AZI C15  C Y N 12  
A1AZI C16  C N N 13  
A1AZI C17  C N N 14  
A1AZI C18  C N N 15  
A1AZI C19  C N N 16  
A1AZI C20  C N N 17  
A1AZI C21  C N N 18  
A1AZI C22  C N R 19  
A1AZI C23  C N N 20  
A1AZI C24  C N S 21  
A1AZI C25  C N N 22  
A1AZI C26  C N N 23  
A1AZI C27  C N N 24  
A1AZI C28  C N N 25  
A1AZI C29  C N N 26  
A1AZI C30  C N S 27  
A1AZI C10  C Y N 28  
A1AZI C31  C N N 29  
A1AZI C32  C N N 30  
A1AZI C33  C N N 31  
A1AZI C34  C N N 32  
A1AZI C35  C N N 33  
A1AZI C36  C N N 34  
A1AZI C37  C N N 35  
A1AZI C38  C N N 36  
A1AZI C39  C N N 37  
A1AZI C4   C Y N 38  
A1AZI C40  C N N 39  
A1AZI C5   C Y N 40  
A1AZI C6   C Y N 41  
A1AZI C7   C N N 42  
A1AZI C8   C N N 43  
A1AZI C9   C N R 44  
A1AZI N1   N N N 45  
A1AZI N2   N N N 46  
A1AZI N3   N N N 47  
A1AZI O10  O N N 48  
A1AZI O11  O N N 49  
A1AZI O4   O N N 50  
A1AZI O5   O N N 51  
A1AZI O6   O N N 52  
A1AZI O7   O N N 53  
A1AZI O8   O N N 54  
A1AZI O9   O N N 55  
A1AZI H5   H N N 56  
A1AZI H51  H N N 57  
A1AZI H49  H N N 58  
A1AZI H50  H N N 59  
A1AZI H12  H N N 60  
A1AZI H13  H N N 61  
A1AZI H14  H N N 62  
A1AZI H15  H N N 63  
A1AZI H16  H N N 64  
A1AZI H17  H N N 65  
A1AZI H18  H N N 66  
A1AZI H19  H N N 67  
A1AZI H20  H N N 68  
A1AZI H21  H N N 69  
A1AZI H22  H N N 70  
A1AZI H23  H N N 71  
A1AZI H2   H N N 72  
A1AZI H3   H N N 73  
A1AZI H26  H N N 74  
A1AZI H25  H N N 75  
A1AZI H4   H N N 76  
A1AZI H27  H N N 77  
A1AZI H28  H N N 78  
A1AZI H30  H N N 79  
A1AZI H29  H N N 80  
A1AZI H32  H N N 81  
A1AZI H31  H N N 82  
A1AZI H33  H N N 83  
A1AZI H34  H N N 84  
A1AZI H36  H N N 85  
A1AZI H35  H N N 86  
A1AZI H37  H N N 87  
A1AZI H40  H N N 88  
A1AZI H39  H N N 89  
A1AZI H38  H N N 90  
A1AZI H42  H N N 91  
A1AZI H43  H N N 92  
A1AZI H41  H N N 93  
A1AZI H45  H N N 94  
A1AZI H44  H N N 95  
A1AZI H6   H N N 96  
A1AZI H46  H N N 97  
A1AZI H47  H N N 98  
A1AZI H48  H N N 99  
A1AZI H7   H N N 100 
A1AZI H8   H N N 101 
A1AZI H9   H N N 102 
A1AZI H10  H N N 103 
A1AZI H11  H N N 104 
A1AZI H1   H N N 105 
A1AZI H24  H N N 106 
ALA   N    N N N 107 
ALA   CA   C N S 108 
ALA   C    C N N 109 
ALA   O    O N N 110 
ALA   CB   C N N 111 
ALA   OXT  O N N 112 
ALA   H    H N N 113 
ALA   H2   H N N 114 
ALA   HA   H N N 115 
ALA   HB1  H N N 116 
ALA   HB2  H N N 117 
ALA   HB3  H N N 118 
ALA   HXT  H N N 119 
ARG   N    N N N 120 
ARG   CA   C N S 121 
ARG   C    C N N 122 
ARG   O    O N N 123 
ARG   CB   C N N 124 
ARG   CG   C N N 125 
ARG   CD   C N N 126 
ARG   NE   N N N 127 
ARG   CZ   C N N 128 
ARG   NH1  N N N 129 
ARG   NH2  N N N 130 
ARG   OXT  O N N 131 
ARG   H    H N N 132 
ARG   H2   H N N 133 
ARG   HA   H N N 134 
ARG   HB2  H N N 135 
ARG   HB3  H N N 136 
ARG   HG2  H N N 137 
ARG   HG3  H N N 138 
ARG   HD2  H N N 139 
ARG   HD3  H N N 140 
ARG   HE   H N N 141 
ARG   HH11 H N N 142 
ARG   HH12 H N N 143 
ARG   HH21 H N N 144 
ARG   HH22 H N N 145 
ARG   HXT  H N N 146 
ASN   N    N N N 147 
ASN   CA   C N S 148 
ASN   C    C N N 149 
ASN   O    O N N 150 
ASN   CB   C N N 151 
ASN   CG   C N N 152 
ASN   OD1  O N N 153 
ASN   ND2  N N N 154 
ASN   OXT  O N N 155 
ASN   H    H N N 156 
ASN   H2   H N N 157 
ASN   HA   H N N 158 
ASN   HB2  H N N 159 
ASN   HB3  H N N 160 
ASN   HD21 H N N 161 
ASN   HD22 H N N 162 
ASN   HXT  H N N 163 
ASP   N    N N N 164 
ASP   CA   C N S 165 
ASP   C    C N N 166 
ASP   O    O N N 167 
ASP   CB   C N N 168 
ASP   CG   C N N 169 
ASP   OD1  O N N 170 
ASP   OD2  O N N 171 
ASP   OXT  O N N 172 
ASP   H    H N N 173 
ASP   H2   H N N 174 
ASP   HA   H N N 175 
ASP   HB2  H N N 176 
ASP   HB3  H N N 177 
ASP   HD2  H N N 178 
ASP   HXT  H N N 179 
CYS   N    N N N 180 
CYS   CA   C N R 181 
CYS   C    C N N 182 
CYS   O    O N N 183 
CYS   CB   C N N 184 
CYS   SG   S N N 185 
CYS   OXT  O N N 186 
CYS   H    H N N 187 
CYS   H2   H N N 188 
CYS   HA   H N N 189 
CYS   HB2  H N N 190 
CYS   HB3  H N N 191 
CYS   HG   H N N 192 
CYS   HXT  H N N 193 
GLN   N    N N N 194 
GLN   CA   C N S 195 
GLN   C    C N N 196 
GLN   O    O N N 197 
GLN   CB   C N N 198 
GLN   CG   C N N 199 
GLN   CD   C N N 200 
GLN   OE1  O N N 201 
GLN   NE2  N N N 202 
GLN   OXT  O N N 203 
GLN   H    H N N 204 
GLN   H2   H N N 205 
GLN   HA   H N N 206 
GLN   HB2  H N N 207 
GLN   HB3  H N N 208 
GLN   HG2  H N N 209 
GLN   HG3  H N N 210 
GLN   HE21 H N N 211 
GLN   HE22 H N N 212 
GLN   HXT  H N N 213 
GLU   N    N N N 214 
GLU   CA   C N S 215 
GLU   C    C N N 216 
GLU   O    O N N 217 
GLU   CB   C N N 218 
GLU   CG   C N N 219 
GLU   CD   C N N 220 
GLU   OE1  O N N 221 
GLU   OE2  O N N 222 
GLU   OXT  O N N 223 
GLU   H    H N N 224 
GLU   H2   H N N 225 
GLU   HA   H N N 226 
GLU   HB2  H N N 227 
GLU   HB3  H N N 228 
GLU   HG2  H N N 229 
GLU   HG3  H N N 230 
GLU   HE2  H N N 231 
GLU   HXT  H N N 232 
GLY   N    N N N 233 
GLY   CA   C N N 234 
GLY   C    C N N 235 
GLY   O    O N N 236 
GLY   OXT  O N N 237 
GLY   H    H N N 238 
GLY   H2   H N N 239 
GLY   HA2  H N N 240 
GLY   HA3  H N N 241 
GLY   HXT  H N N 242 
HIS   N    N N N 243 
HIS   CA   C N S 244 
HIS   C    C N N 245 
HIS   O    O N N 246 
HIS   CB   C N N 247 
HIS   CG   C Y N 248 
HIS   ND1  N Y N 249 
HIS   CD2  C Y N 250 
HIS   CE1  C Y N 251 
HIS   NE2  N Y N 252 
HIS   OXT  O N N 253 
HIS   H    H N N 254 
HIS   H2   H N N 255 
HIS   HA   H N N 256 
HIS   HB2  H N N 257 
HIS   HB3  H N N 258 
HIS   HD1  H N N 259 
HIS   HD2  H N N 260 
HIS   HE1  H N N 261 
HIS   HE2  H N N 262 
HIS   HXT  H N N 263 
HOH   O    O N N 264 
HOH   H1   H N N 265 
HOH   H2   H N N 266 
ILE   N    N N N 267 
ILE   CA   C N S 268 
ILE   C    C N N 269 
ILE   O    O N N 270 
ILE   CB   C N S 271 
ILE   CG1  C N N 272 
ILE   CG2  C N N 273 
ILE   CD1  C N N 274 
ILE   OXT  O N N 275 
ILE   H    H N N 276 
ILE   H2   H N N 277 
ILE   HA   H N N 278 
ILE   HB   H N N 279 
ILE   HG12 H N N 280 
ILE   HG13 H N N 281 
ILE   HG21 H N N 282 
ILE   HG22 H N N 283 
ILE   HG23 H N N 284 
ILE   HD11 H N N 285 
ILE   HD12 H N N 286 
ILE   HD13 H N N 287 
ILE   HXT  H N N 288 
LEU   N    N N N 289 
LEU   CA   C N S 290 
LEU   C    C N N 291 
LEU   O    O N N 292 
LEU   CB   C N N 293 
LEU   CG   C N N 294 
LEU   CD1  C N N 295 
LEU   CD2  C N N 296 
LEU   OXT  O N N 297 
LEU   H    H N N 298 
LEU   H2   H N N 299 
LEU   HA   H N N 300 
LEU   HB2  H N N 301 
LEU   HB3  H N N 302 
LEU   HG   H N N 303 
LEU   HD11 H N N 304 
LEU   HD12 H N N 305 
LEU   HD13 H N N 306 
LEU   HD21 H N N 307 
LEU   HD22 H N N 308 
LEU   HD23 H N N 309 
LEU   HXT  H N N 310 
LYS   N    N N N 311 
LYS   CA   C N S 312 
LYS   C    C N N 313 
LYS   O    O N N 314 
LYS   CB   C N N 315 
LYS   CG   C N N 316 
LYS   CD   C N N 317 
LYS   CE   C N N 318 
LYS   NZ   N N N 319 
LYS   OXT  O N N 320 
LYS   H    H N N 321 
LYS   H2   H N N 322 
LYS   HA   H N N 323 
LYS   HB2  H N N 324 
LYS   HB3  H N N 325 
LYS   HG2  H N N 326 
LYS   HG3  H N N 327 
LYS   HD2  H N N 328 
LYS   HD3  H N N 329 
LYS   HE2  H N N 330 
LYS   HE3  H N N 331 
LYS   HZ1  H N N 332 
LYS   HZ2  H N N 333 
LYS   HZ3  H N N 334 
LYS   HXT  H N N 335 
MET   N    N N N 336 
MET   CA   C N S 337 
MET   C    C N N 338 
MET   O    O N N 339 
MET   CB   C N N 340 
MET   CG   C N N 341 
MET   SD   S N N 342 
MET   CE   C N N 343 
MET   OXT  O N N 344 
MET   H    H N N 345 
MET   H2   H N N 346 
MET   HA   H N N 347 
MET   HB2  H N N 348 
MET   HB3  H N N 349 
MET   HG2  H N N 350 
MET   HG3  H N N 351 
MET   HE1  H N N 352 
MET   HE2  H N N 353 
MET   HE3  H N N 354 
MET   HXT  H N N 355 
PHE   N    N N N 356 
PHE   CA   C N S 357 
PHE   C    C N N 358 
PHE   O    O N N 359 
PHE   CB   C N N 360 
PHE   CG   C Y N 361 
PHE   CD1  C Y N 362 
PHE   CD2  C Y N 363 
PHE   CE1  C Y N 364 
PHE   CE2  C Y N 365 
PHE   CZ   C Y N 366 
PHE   OXT  O N N 367 
PHE   H    H N N 368 
PHE   H2   H N N 369 
PHE   HA   H N N 370 
PHE   HB2  H N N 371 
PHE   HB3  H N N 372 
PHE   HD1  H N N 373 
PHE   HD2  H N N 374 
PHE   HE1  H N N 375 
PHE   HE2  H N N 376 
PHE   HZ   H N N 377 
PHE   HXT  H N N 378 
PRO   N    N N N 379 
PRO   CA   C N S 380 
PRO   C    C N N 381 
PRO   O    O N N 382 
PRO   CB   C N N 383 
PRO   CG   C N N 384 
PRO   CD   C N N 385 
PRO   OXT  O N N 386 
PRO   H    H N N 387 
PRO   HA   H N N 388 
PRO   HB2  H N N 389 
PRO   HB3  H N N 390 
PRO   HG2  H N N 391 
PRO   HG3  H N N 392 
PRO   HD2  H N N 393 
PRO   HD3  H N N 394 
PRO   HXT  H N N 395 
SER   N    N N N 396 
SER   CA   C N S 397 
SER   C    C N N 398 
SER   O    O N N 399 
SER   CB   C N N 400 
SER   OG   O N N 401 
SER   OXT  O N N 402 
SER   H    H N N 403 
SER   H2   H N N 404 
SER   HA   H N N 405 
SER   HB2  H N N 406 
SER   HB3  H N N 407 
SER   HG   H N N 408 
SER   HXT  H N N 409 
THR   N    N N N 410 
THR   CA   C N S 411 
THR   C    C N N 412 
THR   O    O N N 413 
THR   CB   C N R 414 
THR   OG1  O N N 415 
THR   CG2  C N N 416 
THR   OXT  O N N 417 
THR   H    H N N 418 
THR   H2   H N N 419 
THR   HA   H N N 420 
THR   HB   H N N 421 
THR   HG1  H N N 422 
THR   HG21 H N N 423 
THR   HG22 H N N 424 
THR   HG23 H N N 425 
THR   HXT  H N N 426 
TRP   N    N N N 427 
TRP   CA   C N S 428 
TRP   C    C N N 429 
TRP   O    O N N 430 
TRP   CB   C N N 431 
TRP   CG   C Y N 432 
TRP   CD1  C Y N 433 
TRP   CD2  C Y N 434 
TRP   NE1  N Y N 435 
TRP   CE2  C Y N 436 
TRP   CE3  C Y N 437 
TRP   CZ2  C Y N 438 
TRP   CZ3  C Y N 439 
TRP   CH2  C Y N 440 
TRP   OXT  O N N 441 
TRP   H    H N N 442 
TRP   H2   H N N 443 
TRP   HA   H N N 444 
TRP   HB2  H N N 445 
TRP   HB3  H N N 446 
TRP   HD1  H N N 447 
TRP   HE1  H N N 448 
TRP   HE3  H N N 449 
TRP   HZ2  H N N 450 
TRP   HZ3  H N N 451 
TRP   HH2  H N N 452 
TRP   HXT  H N N 453 
TYR   N    N N N 454 
TYR   CA   C N S 455 
TYR   C    C N N 456 
TYR   O    O N N 457 
TYR   CB   C N N 458 
TYR   CG   C Y N 459 
TYR   CD1  C Y N 460 
TYR   CD2  C Y N 461 
TYR   CE1  C Y N 462 
TYR   CE2  C Y N 463 
TYR   CZ   C Y N 464 
TYR   OH   O N N 465 
TYR   OXT  O N N 466 
TYR   H    H N N 467 
TYR   H2   H N N 468 
TYR   HA   H N N 469 
TYR   HB2  H N N 470 
TYR   HB3  H N N 471 
TYR   HD1  H N N 472 
TYR   HD2  H N N 473 
TYR   HE1  H N N 474 
TYR   HE2  H N N 475 
TYR   HH   H N N 476 
TYR   HXT  H N N 477 
VAL   N    N N N 478 
VAL   CA   C N S 479 
VAL   C    C N N 480 
VAL   O    O N N 481 
VAL   CB   C N N 482 
VAL   CG1  C N N 483 
VAL   CG2  C N N 484 
VAL   OXT  O N N 485 
VAL   H    H N N 486 
VAL   H2   H N N 487 
VAL   HA   H N N 488 
VAL   HB   H N N 489 
VAL   HG11 H N N 490 
VAL   HG12 H N N 491 
VAL   HG13 H N N 492 
VAL   HG21 H N N 493 
VAL   HG22 H N N 494 
VAL   HG23 H N N 495 
VAL   HXT  H N N 496 
# 
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 
A1AZI C1  C6   doub Y N 1   
A1AZI C1  C2   sing Y N 2   
A1AZI C2  C3   doub Y N 3   
A1AZI C2  O11  sing N N 4   
A1AZI C3  C4   sing Y N 5   
A1AZI C3  O10  sing N N 6   
A1AZI C4  C5   doub Y N 7   
A1AZI C5  C6   sing Y N 8   
A1AZI C5  C7   sing N N 9   
A1AZI C7  C8   sing N N 10  
A1AZI C8  C9   sing N N 11  
A1AZI C9  O5   sing N N 12  
A1AZI C9  C10  sing N N 13  
A1AZI C10 C15  doub Y N 14  
A1AZI C10 C11  sing Y N 15  
A1AZI C11 C12  doub Y N 16  
A1AZI C12 C13  sing Y N 17  
A1AZI C13 C14  doub Y N 18  
A1AZI C14 C15  sing Y N 19  
A1AZI C14 O1   sing N N 20  
A1AZI O1  C16  sing N N 21  
A1AZI C16 C17  sing N N 22  
A1AZI C17 O2   doub N N 23  
A1AZI C17 N1   sing N N 24  
A1AZI N1  C22  sing N N 25  
A1AZI N1  C18  sing N N 26  
A1AZI C18 C19  sing N N 27  
A1AZI C19 C20  sing N N 28  
A1AZI C20 C21  sing N N 29  
A1AZI C20 C39  doub N N 30  
A1AZI C22 C21  sing N N 31  
A1AZI C22 C23  sing N N 32  
A1AZI C23 O3   doub N N 33  
A1AZI C23 N2   sing N N 34  
A1AZI C24 N2   sing N N 35  
A1AZI C24 C25  sing N N 36  
A1AZI C24 C38  sing N N 37  
A1AZI C25 O4   sing N N 38  
A1AZI C25 O9   doub N N 39  
A1AZI O4  C26  sing N N 40  
A1AZI C26 C27  sing N N 41  
A1AZI C27 C28  sing N N 42  
A1AZI C27 C36  sing N N 43  
A1AZI C27 C37  sing N N 44  
A1AZI C28 C29  sing N N 45  
A1AZI C28 O8   doub N N 46  
A1AZI C29 N3   sing N N 47  
A1AZI C29 O7   doub N N 48  
A1AZI N3  C35  sing N N 49  
A1AZI N3  C30  sing N N 50  
A1AZI C30 C31  sing N N 51  
A1AZI C30 C32  sing N N 52  
A1AZI C31 O5   sing N N 53  
A1AZI C31 O6   doub N N 54  
A1AZI C32 C33  sing N N 55  
A1AZI C33 C34  sing N N 56  
A1AZI C34 C35  sing N N 57  
A1AZI O10 C40  sing N N 58  
A1AZI O11 C41  sing N N 59  
A1AZI C1  H5   sing N N 60  
A1AZI C41 H51  sing N N 61  
A1AZI C41 H49  sing N N 62  
A1AZI C41 H50  sing N N 63  
A1AZI C11 H12  sing N N 64  
A1AZI C12 H13  sing N N 65  
A1AZI C13 H14  sing N N 66  
A1AZI C15 H15  sing N N 67  
A1AZI C16 H16  sing N N 68  
A1AZI C16 H17  sing N N 69  
A1AZI C18 H18  sing N N 70  
A1AZI C18 H19  sing N N 71  
A1AZI C19 H20  sing N N 72  
A1AZI C19 H21  sing N N 73  
A1AZI C21 H22  sing N N 74  
A1AZI C21 H23  sing N N 75  
A1AZI C22 H2   sing N N 76  
A1AZI C24 H3   sing N N 77  
A1AZI C26 H26  sing N N 78  
A1AZI C26 H25  sing N N 79  
A1AZI C30 H4   sing N N 80  
A1AZI C32 H27  sing N N 81  
A1AZI C32 H28  sing N N 82  
A1AZI C33 H30  sing N N 83  
A1AZI C33 H29  sing N N 84  
A1AZI C34 H32  sing N N 85  
A1AZI C34 H31  sing N N 86  
A1AZI C35 H33  sing N N 87  
A1AZI C35 H34  sing N N 88  
A1AZI C36 H36  sing N N 89  
A1AZI C36 H35  sing N N 90  
A1AZI C36 H37  sing N N 91  
A1AZI C37 H40  sing N N 92  
A1AZI C37 H39  sing N N 93  
A1AZI C37 H38  sing N N 94  
A1AZI C38 H42  sing N N 95  
A1AZI C38 H43  sing N N 96  
A1AZI C38 H41  sing N N 97  
A1AZI C39 H45  sing N N 98  
A1AZI C39 H44  sing N N 99  
A1AZI C4  H6   sing N N 100 
A1AZI C40 H46  sing N N 101 
A1AZI C40 H47  sing N N 102 
A1AZI C40 H48  sing N N 103 
A1AZI C6  H7   sing N N 104 
A1AZI C7  H8   sing N N 105 
A1AZI C7  H9   sing N N 106 
A1AZI C8  H10  sing N N 107 
A1AZI C8  H11  sing N N 108 
A1AZI C9  H1   sing N N 109 
A1AZI N2  H24  sing N N 110 
ALA   N   CA   sing N N 111 
ALA   N   H    sing N N 112 
ALA   N   H2   sing N N 113 
ALA   CA  C    sing N N 114 
ALA   CA  CB   sing N N 115 
ALA   CA  HA   sing N N 116 
ALA   C   O    doub N N 117 
ALA   C   OXT  sing N N 118 
ALA   CB  HB1  sing N N 119 
ALA   CB  HB2  sing N N 120 
ALA   CB  HB3  sing N N 121 
ALA   OXT HXT  sing N N 122 
ARG   N   CA   sing N N 123 
ARG   N   H    sing N N 124 
ARG   N   H2   sing N N 125 
ARG   CA  C    sing N N 126 
ARG   CA  CB   sing N N 127 
ARG   CA  HA   sing N N 128 
ARG   C   O    doub N N 129 
ARG   C   OXT  sing N N 130 
ARG   CB  CG   sing N N 131 
ARG   CB  HB2  sing N N 132 
ARG   CB  HB3  sing N N 133 
ARG   CG  CD   sing N N 134 
ARG   CG  HG2  sing N N 135 
ARG   CG  HG3  sing N N 136 
ARG   CD  NE   sing N N 137 
ARG   CD  HD2  sing N N 138 
ARG   CD  HD3  sing N N 139 
ARG   NE  CZ   sing N N 140 
ARG   NE  HE   sing N N 141 
ARG   CZ  NH1  sing N N 142 
ARG   CZ  NH2  doub N N 143 
ARG   NH1 HH11 sing N N 144 
ARG   NH1 HH12 sing N N 145 
ARG   NH2 HH21 sing N N 146 
ARG   NH2 HH22 sing N N 147 
ARG   OXT HXT  sing N N 148 
ASN   N   CA   sing N N 149 
ASN   N   H    sing N N 150 
ASN   N   H2   sing N N 151 
ASN   CA  C    sing N N 152 
ASN   CA  CB   sing N N 153 
ASN   CA  HA   sing N N 154 
ASN   C   O    doub N N 155 
ASN   C   OXT  sing N N 156 
ASN   CB  CG   sing N N 157 
ASN   CB  HB2  sing N N 158 
ASN   CB  HB3  sing N N 159 
ASN   CG  OD1  doub N N 160 
ASN   CG  ND2  sing N N 161 
ASN   ND2 HD21 sing N N 162 
ASN   ND2 HD22 sing N N 163 
ASN   OXT HXT  sing N N 164 
ASP   N   CA   sing N N 165 
ASP   N   H    sing N N 166 
ASP   N   H2   sing N N 167 
ASP   CA  C    sing N N 168 
ASP   CA  CB   sing N N 169 
ASP   CA  HA   sing N N 170 
ASP   C   O    doub N N 171 
ASP   C   OXT  sing N N 172 
ASP   CB  CG   sing N N 173 
ASP   CB  HB2  sing N N 174 
ASP   CB  HB3  sing N N 175 
ASP   CG  OD1  doub N N 176 
ASP   CG  OD2  sing N N 177 
ASP   OD2 HD2  sing N N 178 
ASP   OXT HXT  sing N N 179 
CYS   N   CA   sing N N 180 
CYS   N   H    sing N N 181 
CYS   N   H2   sing N N 182 
CYS   CA  C    sing N N 183 
CYS   CA  CB   sing N N 184 
CYS   CA  HA   sing N N 185 
CYS   C   O    doub N N 186 
CYS   C   OXT  sing N N 187 
CYS   CB  SG   sing N N 188 
CYS   CB  HB2  sing N N 189 
CYS   CB  HB3  sing N N 190 
CYS   SG  HG   sing N N 191 
CYS   OXT HXT  sing N N 192 
GLN   N   CA   sing N N 193 
GLN   N   H    sing N N 194 
GLN   N   H2   sing N N 195 
GLN   CA  C    sing N N 196 
GLN   CA  CB   sing N N 197 
GLN   CA  HA   sing N N 198 
GLN   C   O    doub N N 199 
GLN   C   OXT  sing N N 200 
GLN   CB  CG   sing N N 201 
GLN   CB  HB2  sing N N 202 
GLN   CB  HB3  sing N N 203 
GLN   CG  CD   sing N N 204 
GLN   CG  HG2  sing N N 205 
GLN   CG  HG3  sing N N 206 
GLN   CD  OE1  doub N N 207 
GLN   CD  NE2  sing N N 208 
GLN   NE2 HE21 sing N N 209 
GLN   NE2 HE22 sing N N 210 
GLN   OXT HXT  sing N N 211 
GLU   N   CA   sing N N 212 
GLU   N   H    sing N N 213 
GLU   N   H2   sing N N 214 
GLU   CA  C    sing N N 215 
GLU   CA  CB   sing N N 216 
GLU   CA  HA   sing N N 217 
GLU   C   O    doub N N 218 
GLU   C   OXT  sing N N 219 
GLU   CB  CG   sing N N 220 
GLU   CB  HB2  sing N N 221 
GLU   CB  HB3  sing N N 222 
GLU   CG  CD   sing N N 223 
GLU   CG  HG2  sing N N 224 
GLU   CG  HG3  sing N N 225 
GLU   CD  OE1  doub N N 226 
GLU   CD  OE2  sing N N 227 
GLU   OE2 HE2  sing N N 228 
GLU   OXT HXT  sing N N 229 
GLY   N   CA   sing N N 230 
GLY   N   H    sing N N 231 
GLY   N   H2   sing N N 232 
GLY   CA  C    sing N N 233 
GLY   CA  HA2  sing N N 234 
GLY   CA  HA3  sing N N 235 
GLY   C   O    doub N N 236 
GLY   C   OXT  sing N N 237 
GLY   OXT HXT  sing N N 238 
HIS   N   CA   sing N N 239 
HIS   N   H    sing N N 240 
HIS   N   H2   sing N N 241 
HIS   CA  C    sing N N 242 
HIS   CA  CB   sing N N 243 
HIS   CA  HA   sing N N 244 
HIS   C   O    doub N N 245 
HIS   C   OXT  sing N N 246 
HIS   CB  CG   sing N N 247 
HIS   CB  HB2  sing N N 248 
HIS   CB  HB3  sing N N 249 
HIS   CG  ND1  sing Y N 250 
HIS   CG  CD2  doub Y N 251 
HIS   ND1 CE1  doub Y N 252 
HIS   ND1 HD1  sing N N 253 
HIS   CD2 NE2  sing Y N 254 
HIS   CD2 HD2  sing N N 255 
HIS   CE1 NE2  sing Y N 256 
HIS   CE1 HE1  sing N N 257 
HIS   NE2 HE2  sing N N 258 
HIS   OXT HXT  sing N N 259 
HOH   O   H1   sing N N 260 
HOH   O   H2   sing N N 261 
ILE   N   CA   sing N N 262 
ILE   N   H    sing N N 263 
ILE   N   H2   sing N N 264 
ILE   CA  C    sing N N 265 
ILE   CA  CB   sing N N 266 
ILE   CA  HA   sing N N 267 
ILE   C   O    doub N N 268 
ILE   C   OXT  sing N N 269 
ILE   CB  CG1  sing N N 270 
ILE   CB  CG2  sing N N 271 
ILE   CB  HB   sing N N 272 
ILE   CG1 CD1  sing N N 273 
ILE   CG1 HG12 sing N N 274 
ILE   CG1 HG13 sing N N 275 
ILE   CG2 HG21 sing N N 276 
ILE   CG2 HG22 sing N N 277 
ILE   CG2 HG23 sing N N 278 
ILE   CD1 HD11 sing N N 279 
ILE   CD1 HD12 sing N N 280 
ILE   CD1 HD13 sing N N 281 
ILE   OXT HXT  sing N N 282 
LEU   N   CA   sing N N 283 
LEU   N   H    sing N N 284 
LEU   N   H2   sing N N 285 
LEU   CA  C    sing N N 286 
LEU   CA  CB   sing N N 287 
LEU   CA  HA   sing N N 288 
LEU   C   O    doub N N 289 
LEU   C   OXT  sing N N 290 
LEU   CB  CG   sing N N 291 
LEU   CB  HB2  sing N N 292 
LEU   CB  HB3  sing N N 293 
LEU   CG  CD1  sing N N 294 
LEU   CG  CD2  sing N N 295 
LEU   CG  HG   sing N N 296 
LEU   CD1 HD11 sing N N 297 
LEU   CD1 HD12 sing N N 298 
LEU   CD1 HD13 sing N N 299 
LEU   CD2 HD21 sing N N 300 
LEU   CD2 HD22 sing N N 301 
LEU   CD2 HD23 sing N N 302 
LEU   OXT HXT  sing N N 303 
LYS   N   CA   sing N N 304 
LYS   N   H    sing N N 305 
LYS   N   H2   sing N N 306 
LYS   CA  C    sing N N 307 
LYS   CA  CB   sing N N 308 
LYS   CA  HA   sing N N 309 
LYS   C   O    doub N N 310 
LYS   C   OXT  sing N N 311 
LYS   CB  CG   sing N N 312 
LYS   CB  HB2  sing N N 313 
LYS   CB  HB3  sing N N 314 
LYS   CG  CD   sing N N 315 
LYS   CG  HG2  sing N N 316 
LYS   CG  HG3  sing N N 317 
LYS   CD  CE   sing N N 318 
LYS   CD  HD2  sing N N 319 
LYS   CD  HD3  sing N N 320 
LYS   CE  NZ   sing N N 321 
LYS   CE  HE2  sing N N 322 
LYS   CE  HE3  sing N N 323 
LYS   NZ  HZ1  sing N N 324 
LYS   NZ  HZ2  sing N N 325 
LYS   NZ  HZ3  sing N N 326 
LYS   OXT HXT  sing N N 327 
MET   N   CA   sing N N 328 
MET   N   H    sing N N 329 
MET   N   H2   sing N N 330 
MET   CA  C    sing N N 331 
MET   CA  CB   sing N N 332 
MET   CA  HA   sing N N 333 
MET   C   O    doub N N 334 
MET   C   OXT  sing N N 335 
MET   CB  CG   sing N N 336 
MET   CB  HB2  sing N N 337 
MET   CB  HB3  sing N N 338 
MET   CG  SD   sing N N 339 
MET   CG  HG2  sing N N 340 
MET   CG  HG3  sing N N 341 
MET   SD  CE   sing N N 342 
MET   CE  HE1  sing N N 343 
MET   CE  HE2  sing N N 344 
MET   CE  HE3  sing N N 345 
MET   OXT HXT  sing N N 346 
PHE   N   CA   sing N N 347 
PHE   N   H    sing N N 348 
PHE   N   H2   sing N N 349 
PHE   CA  C    sing N N 350 
PHE   CA  CB   sing N N 351 
PHE   CA  HA   sing N N 352 
PHE   C   O    doub N N 353 
PHE   C   OXT  sing N N 354 
PHE   CB  CG   sing N N 355 
PHE   CB  HB2  sing N N 356 
PHE   CB  HB3  sing N N 357 
PHE   CG  CD1  doub Y N 358 
PHE   CG  CD2  sing Y N 359 
PHE   CD1 CE1  sing Y N 360 
PHE   CD1 HD1  sing N N 361 
PHE   CD2 CE2  doub Y N 362 
PHE   CD2 HD2  sing N N 363 
PHE   CE1 CZ   doub Y N 364 
PHE   CE1 HE1  sing N N 365 
PHE   CE2 CZ   sing Y N 366 
PHE   CE2 HE2  sing N N 367 
PHE   CZ  HZ   sing N N 368 
PHE   OXT HXT  sing N N 369 
PRO   N   CA   sing N N 370 
PRO   N   CD   sing N N 371 
PRO   N   H    sing N N 372 
PRO   CA  C    sing N N 373 
PRO   CA  CB   sing N N 374 
PRO   CA  HA   sing N N 375 
PRO   C   O    doub N N 376 
PRO   C   OXT  sing N N 377 
PRO   CB  CG   sing N N 378 
PRO   CB  HB2  sing N N 379 
PRO   CB  HB3  sing N N 380 
PRO   CG  CD   sing N N 381 
PRO   CG  HG2  sing N N 382 
PRO   CG  HG3  sing N N 383 
PRO   CD  HD2  sing N N 384 
PRO   CD  HD3  sing N N 385 
PRO   OXT HXT  sing N N 386 
SER   N   CA   sing N N 387 
SER   N   H    sing N N 388 
SER   N   H2   sing N N 389 
SER   CA  C    sing N N 390 
SER   CA  CB   sing N N 391 
SER   CA  HA   sing N N 392 
SER   C   O    doub N N 393 
SER   C   OXT  sing N N 394 
SER   CB  OG   sing N N 395 
SER   CB  HB2  sing N N 396 
SER   CB  HB3  sing N N 397 
SER   OG  HG   sing N N 398 
SER   OXT HXT  sing N N 399 
THR   N   CA   sing N N 400 
THR   N   H    sing N N 401 
THR   N   H2   sing N N 402 
THR   CA  C    sing N N 403 
THR   CA  CB   sing N N 404 
THR   CA  HA   sing N N 405 
THR   C   O    doub N N 406 
THR   C   OXT  sing N N 407 
THR   CB  OG1  sing N N 408 
THR   CB  CG2  sing N N 409 
THR   CB  HB   sing N N 410 
THR   OG1 HG1  sing N N 411 
THR   CG2 HG21 sing N N 412 
THR   CG2 HG22 sing N N 413 
THR   CG2 HG23 sing N N 414 
THR   OXT HXT  sing N N 415 
TRP   N   CA   sing N N 416 
TRP   N   H    sing N N 417 
TRP   N   H2   sing N N 418 
TRP   CA  C    sing N N 419 
TRP   CA  CB   sing N N 420 
TRP   CA  HA   sing N N 421 
TRP   C   O    doub N N 422 
TRP   C   OXT  sing N N 423 
TRP   CB  CG   sing N N 424 
TRP   CB  HB2  sing N N 425 
TRP   CB  HB3  sing N N 426 
TRP   CG  CD1  doub Y N 427 
TRP   CG  CD2  sing Y N 428 
TRP   CD1 NE1  sing Y N 429 
TRP   CD1 HD1  sing N N 430 
TRP   CD2 CE2  doub Y N 431 
TRP   CD2 CE3  sing Y N 432 
TRP   NE1 CE2  sing Y N 433 
TRP   NE1 HE1  sing N N 434 
TRP   CE2 CZ2  sing Y N 435 
TRP   CE3 CZ3  doub Y N 436 
TRP   CE3 HE3  sing N N 437 
TRP   CZ2 CH2  doub Y N 438 
TRP   CZ2 HZ2  sing N N 439 
TRP   CZ3 CH2  sing Y N 440 
TRP   CZ3 HZ3  sing N N 441 
TRP   CH2 HH2  sing N N 442 
TRP   OXT HXT  sing N N 443 
TYR   N   CA   sing N N 444 
TYR   N   H    sing N N 445 
TYR   N   H2   sing N N 446 
TYR   CA  C    sing N N 447 
TYR   CA  CB   sing N N 448 
TYR   CA  HA   sing N N 449 
TYR   C   O    doub N N 450 
TYR   C   OXT  sing N N 451 
TYR   CB  CG   sing N N 452 
TYR   CB  HB2  sing N N 453 
TYR   CB  HB3  sing N N 454 
TYR   CG  CD1  doub Y N 455 
TYR   CG  CD2  sing Y N 456 
TYR   CD1 CE1  sing Y N 457 
TYR   CD1 HD1  sing N N 458 
TYR   CD2 CE2  doub Y N 459 
TYR   CD2 HD2  sing N N 460 
TYR   CE1 CZ   doub Y N 461 
TYR   CE1 HE1  sing N N 462 
TYR   CE2 CZ   sing Y N 463 
TYR   CE2 HE2  sing N N 464 
TYR   CZ  OH   sing N N 465 
TYR   OH  HH   sing N N 466 
TYR   OXT HXT  sing N N 467 
VAL   N   CA   sing N N 468 
VAL   N   H    sing N N 469 
VAL   N   H2   sing N N 470 
VAL   CA  C    sing N N 471 
VAL   CA  CB   sing N N 472 
VAL   CA  HA   sing N N 473 
VAL   C   O    doub N N 474 
VAL   C   OXT  sing N N 475 
VAL   CB  CG1  sing N N 476 
VAL   CB  CG2  sing N N 477 
VAL   CB  HB   sing N N 478 
VAL   CG1 HG11 sing N N 479 
VAL   CG1 HG12 sing N N 480 
VAL   CG1 HG13 sing N N 481 
VAL   CG2 HG21 sing N N 482 
VAL   CG2 HG22 sing N N 483 
VAL   CG2 HG23 sing N N 484 
VAL   OXT HXT  sing N N 485 
# 
_pdbx_audit_support.funding_organization   'Not funded' 
_pdbx_audit_support.country                ? 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   3mdy 
_pdbx_initial_refinement_model.details          ? 
# 
_space_group.name_H-M_alt     'P 21 21 21' 
_space_group.name_Hall        'P 2ac 2ab' 
_space_group.IT_number        19 
_space_group.crystal_system   orthorhombic 
_space_group.id               1 
# 
_atom_sites.entry_id                    9DCW 
_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]   0.033910 
_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]   0.015877 
_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]   0.014596 
_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.
;
? 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N   . SER   A 1 1   ? -2.91407  -29.75710 7.74279  1.000 31.68431 ? -1  SER   A N   1 
ATOM   2    C CA  . SER   A 1 1   ? -4.23947  -29.17306 7.59296  1.000 29.06062 ? -1  SER   A CA  1 
ATOM   3    C C   . SER   A 1 1   ? -4.74213  -28.57897 8.91143  1.000 31.16033 ? -1  SER   A C   1 
ATOM   4    O O   . SER   A 1 1   ? -5.63933  -27.74705 8.91454  1.000 31.63207 ? -1  SER   A O   1 
ATOM   5    C CB  . SER   A 1 1   ? -5.22896  -30.21945 7.07163  1.000 37.98605 ? -1  SER   A CB  1 
ATOM   6    O OG  . SER   A 1 1   ? -5.34589  -31.30555 7.97140  1.000 36.74643 ? -1  SER   A OG  1 
ATOM   7    N N   . MET   A 1 2   ? -4.15523  -28.99518 10.03516 1.000 25.41657 ? 0   MET   A N   1 
ATOM   8    C CA  . MET   A 1 2   ? -4.57747  -28.51280 11.34642 1.000 23.48101 ? 0   MET   A CA  1 
ATOM   9    C C   . MET   A 1 2   ? -3.48970  -27.70949 12.05352 1.000 25.61565 ? 0   MET   A C   1 
ATOM   10   O O   . MET   A 1 2   ? -3.55861  -27.52258 13.27197 1.000 23.79479 ? 0   MET   A O   1 
ATOM   11   C CB  . MET   A 1 2   ? -5.01968  -29.67898 12.22570 1.000 28.16153 ? 0   MET   A CB  1 
ATOM   12   C CG  . MET   A 1 2   ? -6.09648  -30.52523 11.60806 1.000 29.24189 ? 0   MET   A CG  1 
ATOM   13   S SD  . MET   A 1 2   ? -6.85322  -31.51878 12.89384 1.000 39.41166 ? 0   MET   A SD  1 
ATOM   14   C CE  . MET   A 1 2   ? -7.86560  -30.25543 13.68646 1.000 33.71665 ? 0   MET   A CE  1 
ATOM   15   N N   . GLY   A 1 3   ? -2.47931  -27.24255 11.31883 1.000 20.07816 ? 1   GLY   A N   1 
ATOM   16   C CA  . GLY   A 1 3   ? -1.42449  -26.45775 11.94321 1.000 20.52009 ? 1   GLY   A CA  1 
ATOM   17   C C   . GLY   A 1 3   ? -1.93437  -25.20614 12.62981 1.000 22.20294 ? 1   GLY   A C   1 
ATOM   18   O O   . GLY   A 1 3   ? -1.41721  -24.81618 13.68100 1.000 21.66845 ? 1   GLY   A O   1 
ATOM   19   N N   . VAL   A 1 4   ? -2.95989  -24.57424 12.06478 1.000 20.80506 ? 2   VAL   A N   1 
ATOM   20   C CA  . VAL   A 1 4   ? -3.59498  -23.40713 12.67362 1.000 19.87989 ? 2   VAL   A CA  1 
ATOM   21   C C   . VAL   A 1 4   ? -5.10395  -23.51094 12.48330 1.000 23.72281 ? 2   VAL   A C   1 
ATOM   22   O O   . VAL   A 1 4   ? -5.58461  -23.74677 11.36985 1.000 24.50113 ? 2   VAL   A O   1 
ATOM   23   C CB  . VAL   A 1 4   ? -3.06667  -22.07456 12.10637 1.000 26.90064 ? 2   VAL   A CB  1 
ATOM   24   C CG1 . VAL   A 1 4   ? -3.08314  -22.06618 10.58320 1.000 30.13567 ? 2   VAL   A CG1 1 
ATOM   25   C CG2 . VAL   A 1 4   ? -3.88479  -20.91718 12.66214 1.000 19.26054 ? 2   VAL   A CG2 1 
ATOM   26   N N   . GLN   A 1 5   ? -5.83816  -23.35490 13.57984 1.000 21.57752 ? 3   GLN   A N   1 
ATOM   27   C CA  . GLN   A 1 5   ? -7.29678  -23.28326 13.58533 1.000 21.87685 ? 3   GLN   A CA  1 
ATOM   28   C C   . GLN   A 1 5   ? -7.70096  -21.83299 13.80274 1.000 23.50864 ? 3   GLN   A C   1 
ATOM   29   O O   . GLN   A 1 5   ? -7.18204  -21.17103 14.70806 1.000 26.34362 ? 3   GLN   A O   1 
ATOM   30   C CB  . GLN   A 1 5   ? -7.86730  -24.17203 14.68829 1.000 25.48947 ? 3   GLN   A CB  1 
ATOM   31   C CG  . GLN   A 1 5   ? -9.36433  -24.04405 14.93901 1.000 34.12041 ? 3   GLN   A CG  1 
ATOM   32   C CD  . GLN   A 1 5   ? -9.82359  -24.97249 16.05180 1.000 38.95026 ? 3   GLN   A CD  1 
ATOM   33   O OE1 . GLN   A 1 5   ? -9.00059  -25.57278 16.75440 1.000 38.90443 ? 3   GLN   A OE1 1 
ATOM   34   N NE2 . GLN   A 1 5   ? -11.13881 -25.10126 16.21570 1.000 42.06865 ? 3   GLN   A NE2 1 
ATOM   35   N N   . VAL   A 1 6   ? -8.61249  -21.33757 12.97081 1.000 24.19911 ? 4   VAL   A N   1 
ATOM   36   C CA  . VAL   A 1 6   ? -9.07103  -19.95548 13.03553 1.000 20.08486 ? 4   VAL   A CA  1 
ATOM   37   C C   . VAL   A 1 6   ? -10.53875 -19.97713 13.42741 1.000 26.11524 ? 4   VAL   A C   1 
ATOM   38   O O   . VAL   A 1 6   ? -11.36232 -20.57804 12.72740 1.000 26.58070 ? 4   VAL   A O   1 
ATOM   39   C CB  . VAL   A 1 6   ? -8.86458  -19.22131 11.70284 1.000 24.11291 ? 4   VAL   A CB  1 
ATOM   40   C CG1 . VAL   A 1 6   ? -9.22811  -17.76710 11.84912 1.000 24.86205 ? 4   VAL   A CG1 1 
ATOM   41   C CG2 . VAL   A 1 6   ? -7.42131  -19.33010 11.26604 1.000 25.05180 ? 4   VAL   A CG2 1 
ATOM   42   N N   . GLU   A 1 7   ? -10.85432 -19.35691 14.56114 1.000 22.33502 ? 5   GLU   A N   1 
ATOM   43   C CA  . GLU   A 1 7   ? -12.22192 -19.24435 15.06106 1.000 23.12627 ? 5   GLU   A CA  1 
ATOM   44   C C   . GLU   A 1 7   ? -12.59990 -17.77465 15.10543 1.000 24.23992 ? 5   GLU   A C   1 
ATOM   45   O O   . GLU   A 1 7   ? -11.87439 -16.95990 15.68658 1.000 25.84955 ? 5   GLU   A O   1 
ATOM   46   C CB  . GLU   A 1 7   ? -12.34637 -19.87976 16.44476 1.000 26.81998 ? 5   GLU   A CB  1 
ATOM   47   C CG  . GLU   A 1 7   ? -11.97178 -21.36492 16.43267 1.000 34.81210 ? 5   GLU   A CG  1 
ATOM   48   C CD  . GLU   A 1 7   ? -11.95670 -21.99985 17.81171 1.000 43.54304 ? 5   GLU   A CD  1 
ATOM   49   O OE1 . GLU   A 1 7   ? -11.89061 -21.25945 18.81724 1.000 50.97362 ? 5   GLU   A OE1 1 
ATOM   50   O OE2 . GLU   A 1 7   ? -12.01138 -23.24821 17.88588 1.000 47.55201 ? 5   GLU   A OE2 1 
ATOM   51   N N   . THR   A 1 8   ? -13.71713 -17.42847 14.48000 1.000 21.37151 ? 6   THR   A N   1 
ATOM   52   C CA  . THR   A 1 8   ? -14.06368 -16.02289 14.35195 1.000 21.65058 ? 6   THR   A CA  1 
ATOM   53   C C   . THR   A 1 8   ? -14.67757 -15.52220 15.64996 1.000 25.88176 ? 6   THR   A C   1 
ATOM   54   O O   . THR   A 1 8   ? -15.55246 -16.17664 16.23444 1.000 22.39344 ? 6   THR   A O   1 
ATOM   55   C CB  . THR   A 1 8   ? -15.01131 -15.80917 13.17439 1.000 26.59648 ? 6   THR   A CB  1 
ATOM   56   O OG1 . THR   A 1 8   ? -14.31122 -16.12400 11.96177 1.000 26.59216 ? 6   THR   A OG1 1 
ATOM   57   C CG2 . THR   A 1 8   ? -15.52243 -14.34601 13.12587 1.000 21.66501 ? 6   THR   A CG2 1 
ATOM   58   N N   . ILE   A 1 9   ? -14.19285 -14.37265 16.10235 1.000 23.12196 ? 7   ILE   A N   1 
ATOM   59   C CA  . ILE   A 1 9   ? -14.71871 -13.68859 17.27261 1.000 24.34743 ? 7   ILE   A CA  1 
ATOM   60   C C   . ILE   A 1 9   ? -15.69897 -12.59324 16.87505 1.000 23.69314 ? 7   ILE   A C   1 
ATOM   61   O O   . ILE   A 1 9   ? -16.78371 -12.48534 17.45144 1.000 22.73644 ? 7   ILE   A O   1 
ATOM   62   C CB  . ILE   A 1 9   ? -13.54335 -13.12946 18.10544 1.000 25.17493 ? 7   ILE   A CB  1 
ATOM   63   C CG1 . ILE   A 1 9   ? -12.67831 -14.28827 18.60254 1.000 25.96934 ? 7   ILE   A CG1 1 
ATOM   64   C CG2 . ILE   A 1 9   ? -14.02760 -12.25928 19.26015 1.000 24.76013 ? 7   ILE   A CG2 1 
ATOM   65   C CD1 . ILE   A 1 9   ? -13.47559 -15.41567 19.22874 1.000 34.79494 ? 7   ILE   A CD1 1 
ATOM   66   N N   . SER   A 1 10  ? -15.33843 -11.80777 15.85958 1.000 22.58833 ? 8   SER   A N   1 
ATOM   67   C CA  . SER   A 1 10  ? -16.22218 -10.84446 15.21910 1.000 24.34231 ? 8   SER   A CA  1 
ATOM   68   C C   . SER   A 1 10  ? -15.77441 -10.72054 13.76910 1.000 23.34069 ? 8   SER   A C   1 
ATOM   69   O O   . SER   A 1 10  ? -14.56194 -10.75895 13.49386 1.000 24.82525 ? 8   SER   A O   1 
ATOM   70   C CB  . SER   A 1 10  ? -16.22312 -9.47318  15.91128 1.000 25.24450 ? 8   SER   A CB  1 
ATOM   71   O OG  . SER   A 1 10  ? -14.93204 -8.90226  15.98331 1.000 29.66993 ? 8   SER   A OG  1 
ATOM   72   N N   . PRO   A 1 11  ? -16.70624 -10.58962 12.83162 1.000 20.39886 ? 9   PRO   A N   1 
ATOM   73   C CA  . PRO   A 1 11  ? -16.35756 -10.66516 11.41140 1.000 23.05068 ? 9   PRO   A CA  1 
ATOM   74   C C   . PRO   A 1 11  ? -15.69945 -9.40048  10.88666 1.000 23.87021 ? 9   PRO   A C   1 
ATOM   75   O O   . PRO   A 1 11  ? -15.84199 -8.30253  11.43400 1.000 24.35451 ? 9   PRO   A O   1 
ATOM   76   C CB  . PRO   A 1 11  ? -17.71427 -10.87564 10.73352 1.000 23.11058 ? 9   PRO   A CB  1 
ATOM   77   C CG  . PRO   A 1 11  ? -18.67994 -10.15231 11.63998 1.000 21.47494 ? 9   PRO   A CG  1 
ATOM   78   C CD  . PRO   A 1 11  ? -18.15769 -10.40662 13.03589 1.000 22.97463 ? 9   PRO   A CD  1 
ATOM   79   N N   . GLY   A 1 12  ? -14.99673 -9.56912  9.77451  1.000 23.59685 ? 10  GLY   A N   1 
ATOM   80   C CA  . GLY   A 1 12  ? -14.45212 -8.44913  9.02577  1.000 24.52396 ? 10  GLY   A CA  1 
ATOM   81   C C   . GLY   A 1 12  ? -15.39819 -8.00833  7.93331  1.000 28.85371 ? 10  GLY   A C   1 
ATOM   82   O O   . GLY   A 1 12  ? -16.62200 -8.15143  8.04309  1.000 26.37161 ? 10  GLY   A O   1 
ATOM   83   N N   . ASP   A 1 13  ? -14.83024 -7.47313  6.85208  1.000 24.92281 ? 11  ASP   A N   1 
ATOM   84   C CA  . ASP   A 1 13  ? -15.65421 -7.04829  5.72711  1.000 28.37085 ? 11  ASP   A CA  1 
ATOM   85   C C   . ASP   A 1 13  ? -15.97159 -8.17646  4.75111  1.000 29.19590 ? 11  ASP   A C   1 
ATOM   86   O O   . ASP   A 1 13  ? -16.75891 -7.96779  3.82128  1.000 31.38642 ? 11  ASP   A O   1 
ATOM   87   C CB  . ASP   A 1 13  ? -14.99198 -5.87942  4.98521  1.000 29.09505 ? 11  ASP   A CB  1 
ATOM   88   C CG  . ASP   A 1 13  ? -13.82304 -6.30023  4.11055  1.000 32.16780 ? 11  ASP   A CG  1 
ATOM   89   O OD1 . ASP   A 1 13  ? -13.34508 -7.45647  4.20191  1.000 27.80094 ? 11  ASP   A OD1 1 
ATOM   90   O OD2 . ASP   A 1 13  ? -13.37967 -5.44828  3.31455  1.000 31.60043 ? 11  ASP   A OD2 1 
ATOM   91   N N   . GLY   A 1 14  ? -15.38597 -9.35669  4.93650  1.000 29.92173 ? 12  GLY   A N   1 
ATOM   92   C CA  . GLY   A 1 14  ? -15.69073 -10.49952 4.09471  1.000 26.60688 ? 12  GLY   A CA  1 
ATOM   93   C C   . GLY   A 1 14  ? -15.18759 -10.41519 2.67175  1.000 32.05499 ? 12  GLY   A C   1 
ATOM   94   O O   . GLY   A 1 14  ? -15.51936 -11.28682 1.86533  1.000 30.36932 ? 12  GLY   A O   1 
ATOM   95   N N   . ARG   A 1 15  ? -14.37993 -9.40757  2.33395  1.000 30.90822 ? 13  ARG   A N   1 
ATOM   96   C CA  . ARG   A 1 15  ? -13.94369 -9.23762  0.95223  1.000 32.55433 ? 13  ARG   A CA  1 
ATOM   97   C C   . ARG   A 1 15  ? -12.45237 -8.95033  0.83567  1.000 31.32826 ? 13  ARG   A C   1 
ATOM   98   O O   . ARG   A 1 15  ? -11.82101 -9.33383  -0.15407 1.000 34.63381 ? 13  ARG   A O   1 
ATOM   99   C CB  . ARG   A 1 15  ? -14.71501 -8.09988  0.28194  1.000 30.19020 ? 13  ARG   A CB  1 
ATOM   100  C CG  . ARG   A 1 15  ? -16.22620 -8.19816  0.35785  1.000 35.76775 ? 13  ARG   A CG  1 
ATOM   101  C CD  . ARG   A 1 15  ? -16.86600 -7.00110  -0.32236 1.000 44.02736 ? 13  ARG   A CD  1 
ATOM   102  N NE  . ARG   A 1 15  ? -16.22439 -5.76009  0.09426  1.000 44.45341 ? 13  ARG   A NE  1 
ATOM   103  C CZ  . ARG   A 1 15  ? -16.64493 -4.99108  1.09046  1.000 45.48099 ? 13  ARG   A CZ  1 
ATOM   104  N NH1 . ARG   A 1 15  ? -15.97303 -3.91249  1.46241  1.000 43.50076 ? 13  ARG   A NH1 1 
ATOM   105  N NH2 . ARG   A 1 15  ? -17.76671 -5.31253  1.73087  1.000 44.73017 ? 13  ARG   A NH2 1 
ATOM   106  N N   . THR   A 1 16  ? -11.88419 -8.25231  1.81579  1.000 29.34311 ? 14  THR   A N   1 
ATOM   107  C CA  . THR   A 1 16  ? -10.49573 -7.79321  1.74315  1.000 28.28275 ? 14  THR   A CA  1 
ATOM   108  C C   . THR   A 1 16  ? -9.61092  -8.77396  2.50845  1.000 28.70138 ? 14  THR   A C   1 
ATOM   109  O O   . THR   A 1 16  ? -9.48849  -8.69804  3.73410  1.000 24.32328 ? 14  THR   A O   1 
ATOM   110  C CB  . THR   A 1 16  ? -10.35965 -6.37788  2.29025  1.000 29.78765 ? 14  THR   A CB  1 
ATOM   111  O OG1 . THR   A 1 16  ? -11.41543 -5.55833  1.76933  1.000 30.60978 ? 14  THR   A OG1 1 
ATOM   112  C CG2 . THR   A 1 16  ? -9.02113  -5.78856  1.87791  1.000 34.81656 ? 14  THR   A CG2 1 
ATOM   113  N N   . PHE   A 1 17  ? -8.99121  -9.69303  1.78127  1.000 29.49363 ? 15  PHE   A N   1 
ATOM   114  C CA  . PHE   A 1 17  ? -8.11871  -10.65277 2.42609  1.000 25.03592 ? 15  PHE   A CA  1 
ATOM   115  C C   . PHE   A 1 17  ? -6.66951  -10.37237 2.04961  1.000 28.50645 ? 15  PHE   A C   1 
ATOM   116  O O   . PHE   A 1 17  ? -6.38582  -10.02482 0.89731  1.000 30.56000 ? 15  PHE   A O   1 
ATOM   117  C CB  . PHE   A 1 17  ? -8.48914  -12.08589 2.03527  1.000 31.00907 ? 15  PHE   A CB  1 
ATOM   118  C CG  . PHE   A 1 17  ? -9.85553  -12.50055 2.50725  1.000 28.40766 ? 15  PHE   A CG  1 
ATOM   119  C CD1 . PHE   A 1 17  ? -10.98365 -12.16653 1.78014  1.000 32.02455 ? 15  PHE   A CD1 1 
ATOM   120  C CD2 . PHE   A 1 17  ? -10.00861 -13.21979 3.68105  1.000 27.06420 ? 15  PHE   A CD2 1 
ATOM   121  C CE1 . PHE   A 1 17  ? -12.24206 -12.54190 2.21304  1.000 29.27202 ? 15  PHE   A CE1 1 
ATOM   122  C CE2 . PHE   A 1 17  ? -11.26561 -13.60531 4.11896  1.000 28.66541 ? 15  PHE   A CE2 1 
ATOM   123  C CZ  . PHE   A 1 17  ? -12.38360 -13.25821 3.38441  1.000 27.68463 ? 15  PHE   A CZ  1 
ATOM   124  N N   . PRO   A 1 18  ? -5.74039  -10.48682 2.99409  1.000 28.06923 ? 16  PRO   A N   1 
ATOM   125  C CA  . PRO   A 1 18  ? -4.35961  -10.09288 2.70300  1.000 26.24879 ? 16  PRO   A CA  1 
ATOM   126  C C   . PRO   A 1 18  ? -3.69168  -11.02073 1.69994  1.000 29.24376 ? 16  PRO   A C   1 
ATOM   127  O O   . PRO   A 1 18  ? -3.93223  -12.23172 1.67645  1.000 28.52970 ? 16  PRO   A O   1 
ATOM   128  C CB  . PRO   A 1 18  ? -3.67495  -10.15274 4.07367  1.000 28.93516 ? 16  PRO   A CB  1 
ATOM   129  C CG  . PRO   A 1 18  ? -4.51441  -11.00980 4.90941  1.000 23.69876 ? 16  PRO   A CG  1 
ATOM   130  C CD  . PRO   A 1 18  ? -5.92304  -10.84279 4.41022  1.000 24.99670 ? 16  PRO   A CD  1 
ATOM   131  N N   . LYS   A 1 19  ? -2.84619  -10.42525 0.86274  1.000 31.16904 ? 17  LYS   A N   1 
ATOM   132  C CA  . LYS   A 1 19  ? -2.09065  -11.12190 -0.16322 1.000 30.68313 ? 17  LYS   A CA  1 
ATOM   133  C C   . LYS   A 1 19  ? -0.60619  -10.97445 0.12303  1.000 28.17542 ? 17  LYS   A C   1 
ATOM   134  O O   . LYS   A 1 19  ? -0.18018  -10.07538 0.85351  1.000 25.88957 ? 17  LYS   A O   1 
ATOM   135  C CB  . LYS   A 1 19  ? -2.40721  -10.57333 -1.56216 1.000 32.67519 ? 17  LYS   A CB  1 
ATOM   136  C CG  . LYS   A 1 19  ? -3.86978  -10.72420 -1.95923 1.000 35.44297 ? 17  LYS   A CG  1 
ATOM   137  C CD  . LYS   A 1 19  ? -4.16799  -10.08865 -3.31089 1.000 40.21757 ? 17  LYS   A CD  1 
ATOM   138  C CE  . LYS   A 1 19  ? -4.01461  -8.57410  -3.25914 1.000 39.30884 ? 17  LYS   A CE  1 
ATOM   139  N NZ  . LYS   A 1 19  ? -4.52641  -7.92757  -4.50035 1.000 47.18181 ? 17  LYS   A NZ  1 
ATOM   140  N N   . ARG   A 1 20  ? 0.17880   -11.86797 -0.46874 1.000 23.89848 ? 18  ARG   A N   1 
ATOM   141  C CA  . ARG   A 1 20  ? 1.62332   -11.79183 -0.32200 1.000 25.37319 ? 18  ARG   A CA  1 
ATOM   142  C C   . ARG   A 1 20  ? 2.13366   -10.45230 -0.83550 1.000 30.50470 ? 18  ARG   A C   1 
ATOM   143  O O   . ARG   A 1 20  ? 1.68712   -9.94920  -1.86930 1.000 29.03611 ? 18  ARG   A O   1 
ATOM   144  C CB  . ARG   A 1 20  ? 2.29399   -12.95131 -1.06243 1.000 30.61292 ? 18  ARG   A CB  1 
ATOM   145  C CG  . ARG   A 1 20  ? 2.28147   -14.25071 -0.27798 1.000 30.56567 ? 18  ARG   A CG  1 
ATOM   146  C CD  . ARG   A 1 20  ? 2.73326   -15.43628 -1.12013 1.000 33.62433 ? 18  ARG   A CD  1 
ATOM   147  N NE  . ARG   A 1 20  ? 4.12121   -15.32555 -1.54935 1.000 35.54864 ? 18  ARG   A NE  1 
ATOM   148  C CZ  . ARG   A 1 20  ? 5.14540   -15.89628 -0.92973 1.000 34.57652 ? 18  ARG   A CZ  1 
ATOM   149  N NH1 . ARG   A 1 20  ? 6.37465   -15.82085 -1.41238 1.000 35.14975 ? 18  ARG   A NH1 1 
ATOM   150  N NH2 . ARG   A 1 20  ? 4.92956   -16.56598 0.19937  1.000 39.08983 ? 18  ARG   A NH2 1 
ATOM   151  N N   . GLY   A 1 21  ? 3.07758   -9.87187  -0.09760 1.000 29.12516 ? 19  GLY   A N   1 
ATOM   152  C CA  . GLY   A 1 21  ? 3.56898   -8.54960  -0.37732 1.000 31.66837 ? 19  GLY   A CA  1 
ATOM   153  C C   . GLY   A 1 21  ? 2.88666   -7.45025  0.40377  1.000 30.67806 ? 19  GLY   A C   1 
ATOM   154  O O   . GLY   A 1 21  ? 3.44921   -6.35575  0.52245  1.000 36.11609 ? 19  GLY   A O   1 
ATOM   155  N N   . GLN   A 1 22  ? 1.69099   -7.70687  0.93723  1.000 27.97173 ? 20  GLN   A N   1 
ATOM   156  C CA  . GLN   A 1 22  ? 0.95984   -6.71728  1.71424  1.000 28.94995 ? 20  GLN   A CA  1 
ATOM   157  C C   . GLN   A 1 22  ? 1.34313   -6.78710  3.18395  1.000 25.13772 ? 20  GLN   A C   1 
ATOM   158  O O   . GLN   A 1 22  ? 1.66564   -7.85223  3.71676  1.000 25.80847 ? 20  GLN   A O   1 
ATOM   159  C CB  . GLN   A 1 22  ? -0.55207  -6.92008  1.59071  1.000 26.29458 ? 20  GLN   A CB  1 
ATOM   160  C CG  . GLN   A 1 22  ? -1.09057  -6.78852  0.19212  1.000 31.83059 ? 20  GLN   A CG  1 
ATOM   161  C CD  . GLN   A 1 22  ? -2.60077  -6.67021  0.17888  1.000 29.29554 ? 20  GLN   A CD  1 
ATOM   162  O OE1 . GLN   A 1 22  ? -3.31774  -7.66520  0.30226  1.000 32.28398 ? 20  GLN   A OE1 1 
ATOM   163  N NE2 . GLN   A 1 22  ? -3.09272  -5.44390  0.04035  1.000 34.99477 ? 20  GLN   A NE2 1 
ATOM   164  N N   . THR   A 1 23  ? 1.27157   -5.63790  3.84128  1.000 27.74025 ? 21  THR   A N   1 
ATOM   165  C CA  . THR   A 1 23  ? 1.55804   -5.51847  5.26082  1.000 27.12385 ? 21  THR   A CA  1 
ATOM   166  C C   . THR   A 1 23  ? 0.26127   -5.59424  6.05094  1.000 25.99197 ? 21  THR   A C   1 
ATOM   167  O O   . THR   A 1 23  ? -0.68491  -4.84964  5.77441  1.000 26.95222 ? 21  THR   A O   1 
ATOM   168  C CB  . THR   A 1 23  ? 2.27973   -4.20221  5.54717  1.000 28.07810 ? 21  THR   A CB  1 
ATOM   169  O OG1 . THR   A 1 23  ? 3.52447   -4.19443  4.84232  1.000 27.16736 ? 21  THR   A OG1 1 
ATOM   170  C CG2 . THR   A 1 23  ? 2.53868   -4.04726  7.03570  1.000 28.68422 ? 21  THR   A CG2 1 
ATOM   171  N N   . CYS   A 1 24  ? 0.20803   -6.51481  7.00707  1.000 27.50133 ? 22  CYS   A N   1 
ATOM   172  C CA  . CYS   A 1 24  ? -0.93887  -6.63322  7.89450  1.000 27.34309 ? 22  CYS   A CA  1 
ATOM   173  C C   . CYS   A 1 24  ? -0.68166  -5.80952  9.14658  1.000 25.52336 ? 22  CYS   A C   1 
ATOM   174  O O   . CYS   A 1 24  ? 0.39214   -5.91028  9.75039  1.000 23.66471 ? 22  CYS   A O   1 
ATOM   175  C CB  . CYS   A 1 24  ? -1.19606  -8.09471  8.25642  1.000 24.64775 ? 22  CYS   A CB  1 
ATOM   176  S SG  . CYS   A 1 24  ? -1.57490  -9.09448  6.82582  1.000 27.91270 ? 22  CYS   A SG  1 
ATOM   177  N N   . VAL   A 1 25  ? -1.65279  -4.97776  9.51581  1.000 21.39945 ? 23  VAL   A N   1 
ATOM   178  C CA  . VAL   A 1 25  ? -1.59080  -4.18864  10.73778 1.000 21.20055 ? 23  VAL   A CA  1 
ATOM   179  C C   . VAL   A 1 25  ? -2.60636  -4.77047  11.69722 1.000 20.43895 ? 23  VAL   A C   1 
ATOM   180  O O   . VAL   A 1 25  ? -3.80549  -4.78492  11.39955 1.000 21.75675 ? 23  VAL   A O   1 
ATOM   181  C CB  . VAL   A 1 25  ? -1.87274  -2.70212  10.47710 1.000 23.72389 ? 23  VAL   A CB  1 
ATOM   182  C CG1 . VAL   A 1 25  ? -1.76183  -1.92145  11.77259 1.000 26.52969 ? 23  VAL   A CG1 1 
ATOM   183  C CG2 . VAL   A 1 25  ? -0.90222  -2.16395  9.43837  1.000 25.74415 ? 23  VAL   A CG2 1 
ATOM   184  N N   . VAL   A 1 26  ? -2.13888  -5.25773  12.84278 1.000 21.96520 ? 24  VAL   A N   1 
ATOM   185  C CA  . VAL   A 1 26  ? -2.98314  -6.03044  13.74644 1.000 19.76315 ? 24  VAL   A CA  1 
ATOM   186  C C   . VAL   A 1 26  ? -2.73514  -5.57402  15.17500 1.000 22.39902 ? 24  VAL   A C   1 
ATOM   187  O O   . VAL   A 1 26  ? -1.70149  -4.98561  15.49775 1.000 20.77117 ? 24  VAL   A O   1 
ATOM   188  C CB  . VAL   A 1 26  ? -2.73724  -7.56514  13.65675 1.000 20.61164 ? 24  VAL   A CB  1 
ATOM   189  C CG1 . VAL   A 1 26  ? -2.85116  -8.07994  12.22670 1.000 19.33460 ? 24  VAL   A CG1 1 
ATOM   190  C CG2 . VAL   A 1 26  ? -1.38103  -7.93503  14.26276 1.000 20.56621 ? 24  VAL   A CG2 1 
ATOM   191  N N   . HIS   A 1 27  ? -3.70492  -5.86036  16.03413 1.000 19.88673 ? 25  HIS   A N   1 
ATOM   192  C CA  . HIS   A 1 27  ? -3.46893  -5.98228  17.46333 1.000 20.73559 ? 25  HIS   A CA  1 
ATOM   193  C C   . HIS   A 1 27  ? -3.61383  -7.44988  17.83590 1.000 22.41384 ? 25  HIS   A C   1 
ATOM   194  O O   . HIS   A 1 27  ? -4.48092  -8.15085  17.30755 1.000 21.39579 ? 25  HIS   A O   1 
ATOM   195  C CB  . HIS   A 1 27  ? -4.43688  -5.12887  18.27999 1.000 23.08925 ? 25  HIS   A CB  1 
ATOM   196  C CG  . HIS   A 1 27  ? -3.85686  -3.82835  18.74464 1.000 23.35114 ? 25  HIS   A CG  1 
ATOM   197  N ND1 . HIS   A 1 27  ? -2.54385  -3.69540  19.14838 1.000 19.68285 ? 25  HIS   A ND1 1 
ATOM   198  C CD2 . HIS   A 1 27  ? -4.41735  -2.60166  18.87187 1.000 24.41342 ? 25  HIS   A CD2 1 
ATOM   199  C CE1 . HIS   A 1 27  ? -2.32109  -2.44003  19.50270 1.000 24.56072 ? 25  HIS   A CE1 1 
ATOM   200  N NE2 . HIS   A 1 27  ? -3.44129  -1.75729  19.34604 1.000 21.68671 ? 25  HIS   A NE2 1 
ATOM   201  N N   . TYR   A 1 28  ? -2.75182  -7.92507  18.72488 1.000 19.69757 ? 26  TYR   A N   1 
ATOM   202  C CA  . TYR   A 1 28  ? -2.79529  -9.32606  19.09146 1.000 21.79567 ? 26  TYR   A CA  1 
ATOM   203  C C   . TYR   A 1 28  ? -2.53522  -9.48453  20.57931 1.000 23.95655 ? 26  TYR   A C   1 
ATOM   204  O O   . TYR   A 1 28  ? -1.96937  -8.60668  21.23508 1.000 23.26917 ? 26  TYR   A O   1 
ATOM   205  C CB  . TYR   A 1 28  ? -1.78361  -10.15042 18.28629 1.000 21.76516 ? 26  TYR   A CB  1 
ATOM   206  C CG  . TYR   A 1 28  ? -0.34923  -9.95666  18.72529 1.000 22.56937 ? 26  TYR   A CG  1 
ATOM   207  C CD1 . TYR   A 1 28  ? 0.42378   -8.92824  18.20510 1.000 20.53513 ? 26  TYR   A CD1 1 
ATOM   208  C CD2 . TYR   A 1 28  ? 0.22873   -10.80593 19.65902 1.000 19.92972 ? 26  TYR   A CD2 1 
ATOM   209  C CE1 . TYR   A 1 28  ? 1.73535   -8.75127  18.60230 1.000 20.37616 ? 26  TYR   A CE1 1 
ATOM   210  C CE2 . TYR   A 1 28  ? 1.53270   -10.63805 20.06811 1.000 21.24634 ? 26  TYR   A CE2 1 
ATOM   211  C CZ  . TYR   A 1 28  ? 2.28537   -9.61170  19.53431 1.000 22.82141 ? 26  TYR   A CZ  1 
ATOM   212  O OH  . TYR   A 1 28  ? 3.58864   -9.44892  19.93695 1.000 25.13525 ? 26  TYR   A OH  1 
ATOM   213  N N   . THR   A 1 29  ? -2.94663  -10.63838 21.09772 1.000 20.56344 ? 27  THR   A N   1 
ATOM   214  C CA  . THR   A 1 29  ? -2.55880  -11.08041 22.42767 1.000 19.14560 ? 27  THR   A CA  1 
ATOM   215  C C   . THR   A 1 29  ? -2.23413  -12.56043 22.31149 1.000 21.73924 ? 27  THR   A C   1 
ATOM   216  O O   . THR   A 1 29  ? -3.04969  -13.32363 21.78966 1.000 22.44630 ? 27  THR   A O   1 
ATOM   217  C CB  . THR   A 1 29  ? -3.67824  -10.83890 23.44836 1.000 21.44313 ? 27  THR   A CB  1 
ATOM   218  O OG1 . THR   A 1 29  ? -3.93118  -9.43223  23.54730 1.000 25.59807 ? 27  THR   A OG1 1 
ATOM   219  C CG2 . THR   A 1 29  ? -3.27570  -11.34337 24.80978 1.000 23.86712 ? 27  THR   A CG2 1 
ATOM   220  N N   . GLY   A 1 30  ? -1.04173  -12.95178 22.74453 1.000 21.76344 ? 28  GLY   A N   1 
ATOM   221  C CA  . GLY   A 1 30  ? -0.59370  -14.33942 22.66512 1.000 21.62964 ? 28  GLY   A CA  1 
ATOM   222  C C   . GLY   A 1 30  ? -0.58287  -14.97448 24.04357 1.000 27.42208 ? 28  GLY   A C   1 
ATOM   223  O O   . GLY   A 1 30  ? -0.19745  -14.33721 25.02639 1.000 25.86514 ? 28  GLY   A O   1 
ATOM   224  N N   . MET   A 1 31  ? -1.00864  -16.23428 24.10613 1.000 27.76688 ? 29  MET   A N   1 
ATOM   225  C CA  A MET   A 1 31  ? -1.01705  -16.98197 25.35461 0.449 30.58949 ? 29  MET   A CA  1 
ATOM   226  C CA  B MET   A 1 31  ? -0.99677  -16.97702 25.35568 0.551 30.57464 ? 29  MET   A CA  1 
ATOM   227  C C   . MET   A 1 31  ? -0.71123  -18.44102 25.05976 1.000 28.89323 ? 29  MET   A C   1 
ATOM   228  O O   . MET   A 1 31  ? -0.91842  -18.92411 23.94412 1.000 27.68551 ? 29  MET   A O   1 
ATOM   229  C CB  A MET   A 1 31  ? -2.36150  -16.85762 26.07862 0.449 33.18440 ? 29  MET   A CB  1 
ATOM   230  C CB  B MET   A 1 31  ? -2.32045  -16.83245 26.11280 0.551 33.23517 ? 29  MET   A CB  1 
ATOM   231  C CG  A MET   A 1 31  ? -3.54933  -16.77904 25.14176 0.449 32.00192 ? 29  MET   A CG  1 
ATOM   232  C CG  B MET   A 1 31  ? -3.46889  -17.59083 25.48820 0.551 31.61886 ? 29  MET   A CG  1 
ATOM   233  S SD  A MET   A 1 31  ? -4.33872  -15.16525 25.24381 0.449 35.56396 ? 29  MET   A SD  1 
ATOM   234  S SD  B MET   A 1 31  ? -5.01634  -17.31822 26.36629 0.551 35.44524 ? 29  MET   A SD  1 
ATOM   235  C CE  A MET   A 1 31  ? -5.19678  -15.08523 23.67452 0.449 27.13661 ? 29  MET   A CE  1 
ATOM   236  C CE  B MET   A 1 31  ? -5.28458  -15.57575 26.04427 0.551 30.07868 ? 29  MET   A CE  1 
ATOM   237  N N   . LEU   A 1 32  ? -0.19762  -19.13663 26.07088 1.000 33.87072 ? 30  LEU   A N   1 
ATOM   238  C CA  . LEU   A 1 32  ? -0.04793  -20.57791 25.96524 1.000 33.66935 ? 30  LEU   A CA  1 
ATOM   239  C C   . LEU   A 1 32  ? -1.42906  -21.21916 26.03448 1.000 33.75975 ? 30  LEU   A C   1 
ATOM   240  O O   . LEU   A 1 32  ? -2.39583  -20.59629 26.47184 1.000 34.39154 ? 30  LEU   A O   1 
ATOM   241  C CB  . LEU   A 1 32  ? 0.84972   -21.11106 27.08033 1.000 35.78288 ? 30  LEU   A CB  1 
ATOM   242  C CG  . LEU   A 1 32  ? 2.21471   -20.43872 27.21715 1.000 33.61162 ? 30  LEU   A CG  1 
ATOM   243  C CD1 . LEU   A 1 32  ? 2.94230   -20.95775 28.44280 1.000 36.84255 ? 30  LEU   A CD1 1 
ATOM   244  C CD2 . LEU   A 1 32  ? 3.04088   -20.66608 25.96013 1.000 32.06961 ? 30  LEU   A CD2 1 
ATOM   245  N N   . GLU   A 1 33  ? -1.52596  -22.47912 25.59742 1.000 40.70731 ? 31  GLU   A N   1 
ATOM   246  C CA  . GLU   A 1 33  ? -2.84617  -23.10799 25.54693 1.000 39.22538 ? 31  GLU   A CA  1 
ATOM   247  C C   . GLU   A 1 33  ? -3.49196  -23.17164 26.92774 1.000 43.44587 ? 31  GLU   A C   1 
ATOM   248  O O   . GLU   A 1 33  ? -4.72531  -23.18942 27.03603 1.000 46.92630 ? 31  GLU   A O   1 
ATOM   249  C CB  . GLU   A 1 33  ? -2.76574  -24.50558 24.92574 1.000 44.09977 ? 31  GLU   A CB  1 
ATOM   250  C CG  . GLU   A 1 33  ? -4.15281  -25.11208 24.67025 1.000 43.68968 ? 31  GLU   A CG  1 
ATOM   251  C CD  . GLU   A 1 33  ? -4.13183  -26.37571 23.82302 1.000 46.22828 ? 31  GLU   A CD  1 
ATOM   252  O OE1 . GLU   A 1 33  ? -4.91686  -26.44014 22.84711 1.000 45.70795 ? 31  GLU   A OE1 1 
ATOM   253  O OE2 . GLU   A 1 33  ? -3.34518  -27.30146 24.13272 1.000 44.92341 ? 31  GLU   A OE2 1 
ATOM   254  N N   . ASP   A 1 34  ? -2.68223  -23.17720 27.99093 1.000 43.75860 ? 32  ASP   A N   1 
ATOM   255  C CA  . ASP   A 1 34  ? -3.23261  -23.10814 29.34205 1.000 49.08050 ? 32  ASP   A CA  1 
ATOM   256  C C   . ASP   A 1 34  ? -4.05265  -21.83996 29.53940 1.000 49.58994 ? 32  ASP   A C   1 
ATOM   257  O O   . ASP   A 1 34  ? -5.06997  -21.85170 30.24213 1.000 56.78580 ? 32  ASP   A O   1 
ATOM   258  C CB  . ASP   A 1 34  ? -2.10667  -23.18466 30.37974 1.000 48.80656 ? 32  ASP   A CB  1 
ATOM   259  C CG  . ASP   A 1 34  ? -1.41675  -21.84088 30.61377 1.000 54.22975 ? 32  ASP   A CG  1 
ATOM   260  O OD1 . ASP   A 1 34  ? -1.28438  -21.04560 29.65622 1.000 52.42900 ? 32  ASP   A OD1 1 
ATOM   261  O OD2 . ASP   A 1 34  ? -0.99893  -21.57940 31.76348 1.000 57.86362 ? 32  ASP   A OD2 1 
ATOM   262  N N   . GLY   A 1 35  ? -3.63082  -20.74053 28.92207 1.000 46.49350 ? 33  GLY   A N   1 
ATOM   263  C CA  . GLY   A 1 35  ? -4.28357  -19.45260 29.07478 1.000 43.00919 ? 33  GLY   A CA  1 
ATOM   264  C C   . GLY   A 1 35  ? -3.37737  -18.34708 29.57015 1.000 43.49572 ? 33  GLY   A C   1 
ATOM   265  O O   . GLY   A 1 35  ? -3.81214  -17.18605 29.62115 1.000 48.41832 ? 33  GLY   A O   1 
ATOM   266  N N   . LYS   A 1 36  ? -2.13344  -18.65452 29.93095 1.000 44.76620 ? 34  LYS   A N   1 
ATOM   267  C CA  . LYS   A 1 36  ? -1.21604  -17.65627 30.46779 1.000 46.40703 ? 34  LYS   A CA  1 
ATOM   268  C C   . LYS   A 1 36  ? -0.71732  -16.74320 29.35367 1.000 39.64344 ? 34  LYS   A C   1 
ATOM   269  O O   . LYS   A 1 36  ? -0.04194  -17.19853 28.42497 1.000 41.61736 ? 34  LYS   A O   1 
ATOM   270  C CB  . LYS   A 1 36  ? -0.04451  -18.35017 31.15783 1.000 50.25778 ? 34  LYS   A CB  1 
ATOM   271  C CG  . LYS   A 1 36  ? 1.12423   -17.43901 31.49238 1.000 49.48599 ? 34  LYS   A CG  1 
ATOM   272  C CD  . LYS   A 1 36  ? 2.33218   -18.25111 31.94916 1.000 52.74145 ? 34  LYS   A CD  1 
ATOM   273  C CE  . LYS   A 1 36  ? 3.56219   -17.37597 32.12198 1.000 56.78971 ? 34  LYS   A CE  1 
ATOM   274  N NZ  . LYS   A 1 36  ? 4.77366   -18.17629 32.45971 1.000 58.53007 ? 34  LYS   A NZ  1 
ATOM   275  N N   . LYS   A 1 37  ? -1.03903  -15.45520 29.45586 1.000 44.33210 ? 35  LYS   A N   1 
ATOM   276  C CA  . LYS   A 1 37  ? -0.62277  -14.48489 28.45130 1.000 35.81908 ? 35  LYS   A CA  1 
ATOM   277  C C   . LYS   A 1 37  ? 0.88395   -14.27234 28.50604 1.000 35.81829 ? 35  LYS   A C   1 
ATOM   278  O O   . LYS   A 1 37  ? 1.45592   -14.08236 29.58455 1.000 39.95891 ? 35  LYS   A O   1 
ATOM   279  C CB  . LYS   A 1 37  ? -1.34884  -13.15820 28.67133 1.000 37.18096 ? 35  LYS   A CB  1 
ATOM   280  C CG  . LYS   A 1 37  ? -1.02095  -12.09361 27.64088 1.000 35.82545 ? 35  LYS   A CG  1 
ATOM   281  C CD  . LYS   A 1 37  ? -1.68567  -10.76473 27.97437 1.000 34.08385 ? 35  LYS   A CD  1 
ATOM   282  C CE  . LYS   A 1 37  ? -0.88432  -9.97707  29.00115 1.000 39.25519 ? 35  LYS   A CE  1 
ATOM   283  N NZ  . LYS   A 1 37  ? -1.51398  -8.65593  29.29145 1.000 38.05770 ? 35  LYS   A NZ  1 
ATOM   284  N N   . PHE   A 1 38  ? 1.53281   -14.29801 27.33973 1.000 33.04824 ? 36  PHE   A N   1 
ATOM   285  C CA  . PHE   A 1 38  ? 2.95546   -14.00260 27.27280 1.000 31.58146 ? 36  PHE   A CA  1 
ATOM   286  C C   . PHE   A 1 38  ? 3.29596   -12.73342 26.50091 1.000 27.41615 ? 36  PHE   A C   1 
ATOM   287  O O   . PHE   A 1 38  ? 4.43953   -12.27302 26.60279 1.000 29.25359 ? 36  PHE   A O   1 
ATOM   288  C CB  . PHE   A 1 38  ? 3.74382   -15.18836 26.68421 1.000 31.53922 ? 36  PHE   A CB  1 
ATOM   289  C CG  . PHE   A 1 38  ? 3.29069   -15.63403 25.31661 1.000 31.53263 ? 36  PHE   A CG  1 
ATOM   290  C CD1 . PHE   A 1 38  ? 3.66246   -14.93439 24.17902 1.000 27.91254 ? 36  PHE   A CD1 1 
ATOM   291  C CD2 . PHE   A 1 38  ? 2.54835   -16.79864 25.16513 1.000 30.54209 ? 36  PHE   A CD2 1 
ATOM   292  C CE1 . PHE   A 1 38  ? 3.26087   -15.35261 22.92157 1.000 24.55513 ? 36  PHE   A CE1 1 
ATOM   293  C CE2 . PHE   A 1 38  ? 2.15073   -17.22876 23.90784 1.000 28.64172 ? 36  PHE   A CE2 1 
ATOM   294  C CZ  . PHE   A 1 38  ? 2.50225   -16.50731 22.78764 1.000 28.32206 ? 36  PHE   A CZ  1 
ATOM   295  N N   . ASP   A 1 39  ? 2.35589   -12.14590 25.75364 1.000 27.80667 ? 37  ASP   A N   1 
ATOM   296  C CA  . ASP   A 1 39  ? 2.61468   -10.85317 25.11994 1.000 27.71408 ? 37  ASP   A CA  1 
ATOM   297  C C   . ASP   A 1 39  ? 1.33596   -10.30601 24.50121 1.000 24.08682 ? 37  ASP   A C   1 
ATOM   298  O O   . ASP   A 1 39  ? 0.40551   -11.04900 24.19050 1.000 23.30918 ? 37  ASP   A O   1 
ATOM   299  C CB  . ASP   A 1 39  ? 3.70408   -10.93539 24.04259 1.000 26.39571 ? 37  ASP   A CB  1 
ATOM   300  C CG  . ASP   A 1 39  ? 4.16848   -9.55233  23.59088 1.000 31.23533 ? 37  ASP   A CG  1 
ATOM   301  O OD1 . ASP   A 1 39  ? 4.57556   -8.75256  24.46143 1.000 29.50690 ? 37  ASP   A OD1 1 
ATOM   302  O OD2 . ASP   A 1 39  ? 4.11256   -9.26380  22.37737 1.000 30.54655 ? 37  ASP   A OD2 1 
ATOM   303  N N   . SER   A 1 40  ? 1.31541   -8.98922  24.30347 1.000 23.41275 ? 38  SER   A N   1 
ATOM   304  C CA  . SER   A 1 40  ? 0.19396   -8.35307  23.62781 1.000 25.33685 ? 38  SER   A CA  1 
ATOM   305  C C   . SER   A 1 40  ? 0.65532   -7.00852  23.10465 1.000 22.23849 ? 38  SER   A C   1 
ATOM   306  O O   . SER   A 1 40  ? 1.23956   -6.23094  23.86147 1.000 23.61608 ? 38  SER   A O   1 
ATOM   307  C CB  . SER   A 1 40  ? -0.99289  -8.16215  24.57394 1.000 27.87180 ? 38  SER   A CB  1 
ATOM   308  O OG  . SER   A 1 40  ? -1.98681  -7.32933  23.98146 1.000 24.79430 ? 38  SER   A OG  1 
ATOM   309  N N   . SER   A 1 41  ? 0.40365   -6.73932  21.81977 1.000 18.72782 ? 39  SER   A N   1 
ATOM   310  C CA  . SER   A 1 41  ? 0.63973   -5.38689  21.30869 1.000 22.67027 ? 39  SER   A CA  1 
ATOM   311  C C   . SER   A 1 41  ? -0.27925  -4.36914  21.96264 1.000 25.28130 ? 39  SER   A C   1 
ATOM   312  O O   . SER   A 1 41  ? 0.02221   -3.16896  21.94468 1.000 22.11519 ? 39  SER   A O   1 
ATOM   313  C CB  . SER   A 1 41  ? 0.44565   -5.33524  19.79110 1.000 23.20345 ? 39  SER   A CB  1 
ATOM   314  O OG  . SER   A 1 41  ? -0.86309  -5.78097  19.43267 1.000 22.34855 ? 39  SER   A OG  1 
ATOM   315  N N   . ARG   A 1 42  ? -1.41252  -4.81106  22.51617 1.000 24.50686 ? 40  ARG   A N   1 
ATOM   316  C CA  . ARG   A 1 42  ? -2.29019  -3.87055  23.20372 1.000 23.03650 ? 40  ARG   A CA  1 
ATOM   317  C C   . ARG   A 1 42  ? -1.62326  -3.28065  24.43957 1.000 22.55252 ? 40  ARG   A C   1 
ATOM   318  O O   . ARG   A 1 42  ? -1.87615  -2.11538  24.78641 1.000 24.50368 ? 40  ARG   A O   1 
ATOM   319  C CB  . ARG   A 1 42  ? -3.60809  -4.56444  23.56529 1.000 20.56708 ? 40  ARG   A CB  1 
ATOM   320  C CG  . ARG   A 1 42  ? -4.37408  -5.03177  22.35138 1.000 21.36746 ? 40  ARG   A CG  1 
ATOM   321  C CD  . ARG   A 1 42  ? -5.75351  -5.54530  22.74064 1.000 25.72952 ? 40  ARG   A CD  1 
ATOM   322  N NE  . ARG   A 1 42  ? -6.43302  -6.19143  21.62404 1.000 27.51315 ? 40  ARG   A NE  1 
ATOM   323  C CZ  . ARG   A 1 42  ? -7.10679  -5.55119  20.68032 1.000 24.53835 ? 40  ARG   A CZ  1 
ATOM   324  N NH1 . ARG   A 1 42  ? -7.66909  -6.20099  19.67438 1.000 25.43513 ? 40  ARG   A NH1 1 
ATOM   325  N NH2 . ARG   A 1 42  ? -7.22314  -4.22427  20.74965 1.000 21.43021 ? 40  ARG   A NH2 1 
ATOM   326  N N   . ASP   A 1 43  ? -0.74804  -4.05112  25.09498 1.000 27.75006 ? 41  ASP   A N   1 
ATOM   327  C CA  . ASP   A 1 43  ? -0.00656  -3.54840  26.24544 1.000 26.90443 ? 41  ASP   A CA  1 
ATOM   328  C C   . ASP   A 1 43  ? 0.93749   -2.41575  25.87878 1.000 26.89178 ? 41  ASP   A C   1 
ATOM   329  O O   . ASP   A 1 43  ? 1.34404   -1.66036  26.76634 1.000 27.71866 ? 41  ASP   A O   1 
ATOM   330  C CB  . ASP   A 1 43  ? 0.80779   -4.66603  26.89568 1.000 31.21009 ? 41  ASP   A CB  1 
ATOM   331  C CG  . ASP   A 1 43  ? -0.06052  -5.72380  27.54473 1.000 32.39600 ? 41  ASP   A CG  1 
ATOM   332  O OD1 . ASP   A 1 43  ? -1.22883  -5.42474  27.86706 1.000 33.42756 ? 41  ASP   A OD1 1 
ATOM   333  O OD2 . ASP   A 1 43  ? 0.43816   -6.85216  27.74482 1.000 37.13620 ? 41  ASP   A OD2 1 
ATOM   334  N N   . ARG   A 1 44  ? 1.33609   -2.31670  24.61065 1.000 24.02305 ? 42  ARG   A N   1 
ATOM   335  C CA  . ARG   A 1 44  ? 2.18824   -1.23722  24.13114 1.000 24.29938 ? 42  ARG   A CA  1 
ATOM   336  C C   . ARG   A 1 44  ? 1.39944   -0.12230  23.46571 1.000 24.11269 ? 42  ARG   A C   1 
ATOM   337  O O   . ARG   A 1 44  ? 1.99311   0.88450   23.07106 1.000 23.52826 ? 42  ARG   A O   1 
ATOM   338  C CB  . ARG   A 1 44  ? 3.22546   -1.78008  23.14847 1.000 22.39224 ? 42  ARG   A CB  1 
ATOM   339  C CG  . ARG   A 1 44  ? 4.16495   -2.81202  23.75610 1.000 27.98533 ? 42  ARG   A CG  1 
ATOM   340  C CD  . ARG   A 1 44  ? 5.09486   -3.37297  22.70995 1.000 26.55567 ? 42  ARG   A CD  1 
ATOM   341  N NE  . ARG   A 1 44  ? 4.44362   -4.36384  21.86072 1.000 25.90064 ? 42  ARG   A NE  1 
ATOM   342  C CZ  . ARG   A 1 44  ? 4.38530   -5.66012  22.13446 1.000 27.06211 ? 42  ARG   A CZ  1 
ATOM   343  N NH1 . ARG   A 1 44  ? 3.92296   -6.53198  21.25454 1.000 28.20808 ? 42  ARG   A NH1 1 
ATOM   344  N NH2 . ARG   A 1 44  ? 4.80524   -6.09345  23.32037 1.000 28.48338 ? 42  ARG   A NH2 1 
ATOM   345  N N   . ASN   A 1 45  ? 0.08141   -0.28370  23.32484 1.000 21.67227 ? 43  ASN   A N   1 
ATOM   346  C CA  . ASN   A 1 45  ? -0.77793  0.70929   22.68440 1.000 26.65064 ? 43  ASN   A CA  1 
ATOM   347  C C   . ASN   A 1 45  ? -0.28941  1.04177   21.27780 1.000 25.95007 ? 43  ASN   A C   1 
ATOM   348  O O   . ASN   A 1 45  ? -0.38846  2.17852   20.81948 1.000 25.12740 ? 43  ASN   A O   1 
ATOM   349  C CB  . ASN   A 1 45  ? -0.88779  1.97310   23.53545 1.000 25.27703 ? 43  ASN   A CB  1 
ATOM   350  C CG  . ASN   A 1 45  ? -1.38997  1.68986   24.93778 1.000 23.73188 ? 43  ASN   A CG  1 
ATOM   351  O OD1 . ASN   A 1 45  ? -2.53837  1.29571   25.12894 1.000 32.14703 ? 43  ASN   A OD1 1 
ATOM   352  N ND2 . ASN   A 1 45  ? -0.52843  1.89890   25.92908 1.000 29.39882 ? 43  ASN   A ND2 1 
ATOM   353  N N   . LYS   A 1 46  ? 0.23377   0.03817   20.58280 1.000 23.52842 ? 44  LYS   A N   1 
ATOM   354  C CA  . LYS   A 1 46  ? 0.78536   0.26014   19.25250 1.000 20.97416 ? 44  LYS   A CA  1 
ATOM   355  C C   . LYS   A 1 46  ? 0.62954   -1.00445  18.42452 1.000 20.79338 ? 44  LYS   A C   1 
ATOM   356  O O   . LYS   A 1 46  ? 1.15843   -2.05923  18.80488 1.000 21.84541 ? 44  LYS   A O   1 
ATOM   357  C CB  . LYS   A 1 46  ? 2.25816   0.65489   19.33871 1.000 22.80579 ? 44  LYS   A CB  1 
ATOM   358  C CG  . LYS   A 1 46  ? 2.89908   0.96584   17.99362 1.000 26.50148 ? 44  LYS   A CG  1 
ATOM   359  C CD  . LYS   A 1 46  ? 4.37683   1.35708   18.15959 1.000 26.35655 ? 44  LYS   A CD  1 
ATOM   360  C CE  . LYS   A 1 46  ? 5.12185   1.29877   16.83343 1.000 27.46895 ? 44  LYS   A CE  1 
ATOM   361  N NZ  . LYS   A 1 46  ? 6.56396   1.70766   16.96816 1.000 28.09553 ? 44  LYS   A NZ  1 
ATOM   362  N N   . PRO   A 1 47  ? -0.06206  -0.93974  17.28646 1.000 22.48665 ? 45  PRO   A N   1 
ATOM   363  C CA  . PRO   A 1 47  ? -0.29412  -2.15641  16.50266 1.000 21.10409 ? 45  PRO   A CA  1 
ATOM   364  C C   . PRO   A 1 47  ? 1.00473   -2.76781  16.01274 1.000 22.61753 ? 45  PRO   A C   1 
ATOM   365  O O   . PRO   A 1 47  ? 2.02980   -2.09205  15.86581 1.000 19.16563 ? 45  PRO   A O   1 
ATOM   366  C CB  . PRO   A 1 47  ? -1.15482  -1.67138  15.33060 1.000 21.83364 ? 45  PRO   A CB  1 
ATOM   367  C CG  . PRO   A 1 47  ? -1.82009  -0.42814  15.84522 1.000 24.14560 ? 45  PRO   A CG  1 
ATOM   368  C CD  . PRO   A 1 47  ? -0.80169  0.21646   16.74775 1.000 24.80345 ? 45  PRO   A CD  1 
ATOM   369  N N   . PHE   A 1 48  ? 0.94590   -4.07777  15.80740 1.000 20.02771 ? 46  PHE   A N   1 
ATOM   370  C CA  . PHE   A 1 48  ? 2.02274   -4.84833  15.21634 1.000 19.40390 ? 46  PHE   A CA  1 
ATOM   371  C C   . PHE   A 1 48  ? 1.82419   -4.88945  13.70745 1.000 20.44485 ? 46  PHE   A C   1 
ATOM   372  O O   . PHE   A 1 48  ? 0.68981   -4.93085  13.22272 1.000 23.41766 ? 46  PHE   A O   1 
ATOM   373  C CB  . PHE   A 1 48  ? 2.01807   -6.26100  15.80817 1.000 18.40884 ? 46  PHE   A CB  1 
ATOM   374  C CG  . PHE   A 1 48  ? 2.98994   -7.19047  15.16229 1.000 21.98721 ? 46  PHE   A CG  1 
ATOM   375  C CD1 . PHE   A 1 48  ? 4.35215   -6.98625  15.30165 1.000 21.81247 ? 46  PHE   A CD1 1 
ATOM   376  C CD2 . PHE   A 1 48  ? 2.55089   -8.26742  14.42199 1.000 19.71346 ? 46  PHE   A CD2 1 
ATOM   377  C CE1 . PHE   A 1 48  ? 5.25620   -7.84307  14.70675 1.000 23.41581 ? 46  PHE   A CE1 1 
ATOM   378  C CE2 . PHE   A 1 48  ? 3.44118   -9.12480  13.82349 1.000 20.13590 ? 46  PHE   A CE2 1 
ATOM   379  C CZ  . PHE   A 1 48  ? 4.79999   -8.92126  13.96935 1.000 21.01443 ? 46  PHE   A CZ  1 
ATOM   380  N N   . LYS   A 1 49  ? 2.92509   -4.85848  12.96855 1.000 22.44441 ? 47  LYS   A N   1 
ATOM   381  C CA  . LYS   A 1 49  ? 2.90135   -4.93994  11.51510 1.000 22.89277 ? 47  LYS   A CA  1 
ATOM   382  C C   . LYS   A 1 49  ? 3.79820   -6.07867  11.05311 1.000 22.01981 ? 47  LYS   A C   1 
ATOM   383  O O   . LYS   A 1 49  ? 4.89168   -6.27637  11.59548 1.000 24.83667 ? 47  LYS   A O   1 
ATOM   384  C CB  . LYS   A 1 49  ? 3.38533   -3.63684  10.86740 1.000 26.09521 ? 47  LYS   A CB  1 
ATOM   385  C CG  . LYS   A 1 49  ? 2.68313   -2.38693  11.34259 1.000 27.50198 ? 47  LYS   A CG  1 
ATOM   386  C CD  . LYS   A 1 49  ? 3.09629   -1.19763  10.49351 1.000 29.80110 ? 47  LYS   A CD  1 
ATOM   387  C CE  . LYS   A 1 49  ? 2.40414   0.08375   10.92639 1.000 40.00587 ? 47  LYS   A CE  1 
ATOM   388  N NZ  . LYS   A 1 49  ? 2.92833   1.23654   10.14976 1.000 41.06268 ? 47  LYS   A NZ  1 
ATOM   389  N N   . PHE   A 1 50  ? 3.35274   -6.80926  10.03431 1.000 23.53810 ? 48  PHE   A N   1 
ATOM   390  C CA  . PHE   A 1 50  ? 4.21156   -7.79127  9.37920  1.000 21.14590 ? 48  PHE   A CA  1 
ATOM   391  C C   . PHE   A 1 50  ? 3.75812   -7.92149  7.93452  1.000 23.16206 ? 48  PHE   A C   1 
ATOM   392  O O   . PHE   A 1 50  ? 2.56696   -7.80850  7.63959  1.000 24.83504 ? 48  PHE   A O   1 
ATOM   393  C CB  . PHE   A 1 50  ? 4.18944   -9.15669  10.08151 1.000 21.69269 ? 48  PHE   A CB  1 
ATOM   394  C CG  . PHE   A 1 50  ? 2.94921   -9.96432  9.81359  1.000 20.15482 ? 48  PHE   A CG  1 
ATOM   395  C CD1 . PHE   A 1 50  ? 1.77975   -9.68161  10.48586 1.000 21.37408 ? 48  PHE   A CD1 1 
ATOM   396  C CD2 . PHE   A 1 50  ? 2.96039   -11.00649 8.90206  1.000 23.51210 ? 48  PHE   A CD2 1 
ATOM   397  C CE1 . PHE   A 1 50  ? 0.62941   -10.41746 10.25025 1.000 22.42924 ? 48  PHE   A CE1 1 
ATOM   398  C CE2 . PHE   A 1 50  ? 1.81100   -11.75276 8.66383  1.000 22.92899 ? 48  PHE   A CE2 1 
ATOM   399  C CZ  . PHE   A 1 50  ? 0.64924   -11.45196 9.34075  1.000 24.43686 ? 48  PHE   A CZ  1 
ATOM   400  N N   . MET   A 1 51  ? 4.71113   -8.12672  7.03546  1.000 21.20295 ? 49  MET   A N   1 
ATOM   401  C CA  . MET   A 1 51  ? 4.40824   -8.32074  5.62530  1.000 23.66027 ? 49  MET   A CA  1 
ATOM   402  C C   . MET   A 1 51  ? 4.34148   -9.81016  5.31753  1.000 24.23395 ? 49  MET   A C   1 
ATOM   403  O O   . MET   A 1 51  ? 5.24679   -10.56476 5.68678  1.000 23.73848 ? 49  MET   A O   1 
ATOM   404  C CB  . MET   A 1 51  ? 5.45891   -7.65579  4.73821  1.000 28.43701 ? 49  MET   A CB  1 
ATOM   405  C CG  . MET   A 1 51  ? 5.21509   -7.87742  3.25748  1.000 29.49770 ? 49  MET   A CG  1 
ATOM   406  S SD  . MET   A 1 51  ? 6.49806   -7.12972  2.24163  1.000 32.70597 ? 49  MET   A SD  1 
ATOM   407  C CE  . MET   A 1 51  ? 6.18836   -5.38243  2.51927  1.000 36.09899 ? 49  MET   A CE  1 
ATOM   408  N N   . LEU   A 1 52  ? 3.27175   -10.22338 4.64182  1.000 21.46640 ? 50  LEU   A N   1 
ATOM   409  C CA  . LEU   A 1 52  ? 3.14588   -11.59328 4.16186  1.000 22.50938 ? 50  LEU   A CA  1 
ATOM   410  C C   . LEU   A 1 52  ? 4.14051   -11.87376 3.03850  1.000 27.27671 ? 50  LEU   A C   1 
ATOM   411  O O   . LEU   A 1 52  ? 4.44602   -11.00535 2.21551  1.000 27.09835 ? 50  LEU   A O   1 
ATOM   412  C CB  . LEU   A 1 52  ? 1.72391   -11.84333 3.65714  1.000 26.06290 ? 50  LEU   A CB  1 
ATOM   413  C CG  . LEU   A 1 52  ? 0.63567   -12.09043 4.69337  1.000 26.43915 ? 50  LEU   A CG  1 
ATOM   414  C CD1 . LEU   A 1 52  ? -0.73006  -11.89070 4.04706  1.000 27.36334 ? 50  LEU   A CD1 1 
ATOM   415  C CD2 . LEU   A 1 52  ? 0.73532   -13.50189 5.25242  1.000 27.00873 ? 50  LEU   A CD2 1 
ATOM   416  N N   . GLY   A 1 53  ? 4.63311   -13.11031 3.00453  1.000 30.46578 ? 51  GLY   A N   1 
ATOM   417  C CA  . GLY   A 1 53  ? 5.51847   -13.56703 1.95271  1.000 30.62611 ? 51  GLY   A CA  1 
ATOM   418  C C   . GLY   A 1 53  ? 6.99189   -13.42144 2.24723  1.000 33.38899 ? 51  GLY   A C   1 
ATOM   419  O O   . GLY   A 1 53  ? 7.81638   -13.70806 1.37154  1.000 33.41805 ? 51  GLY   A O   1 
ATOM   420  N N   . LYS   A 1 54  ? 7.34872   -13.00557 3.45535  1.000 30.46590 ? 52  LYS   A N   1 
ATOM   421  C CA  . LYS   A 1 54  ? 8.71395   -12.63941 3.78325  1.000 31.69137 ? 52  LYS   A CA  1 
ATOM   422  C C   . LYS   A 1 54  ? 9.32061   -13.51427 4.86717  1.000 33.22617 ? 52  LYS   A C   1 
ATOM   423  O O   . LYS   A 1 54  ? 10.45303  -13.25302 5.28688  1.000 31.30204 ? 52  LYS   A O   1 
ATOM   424  C CB  . LYS   A 1 54  ? 8.76382   -11.17455 4.22701  1.000 31.51317 ? 52  LYS   A CB  1 
ATOM   425  C CG  . LYS   A 1 54  ? 8.56914   -10.14977 3.11152  1.000 30.91899 ? 52  LYS   A CG  1 
ATOM   426  C CD  . LYS   A 1 54  ? 9.92443   -9.72124  2.54450  1.000 35.09554 ? 52  LYS   A CD  1 
ATOM   427  C CE  . LYS   A 1 54  ? 9.79893   -8.51933  1.61811  1.000 41.13230 ? 52  LYS   A CE  1 
ATOM   428  N NZ  . LYS   A 1 54  ? 9.00639   -8.82529  0.39328  1.000 47.81236 ? 52  LYS   A NZ  1 
ATOM   429  N N   . GLN   A 1 55  ? 8.60986   -14.54123 5.32905  1.000 30.89910 ? 53  GLN   A N   1 
ATOM   430  C CA  . GLN   A 1 55  ? 9.03398   -15.31604 6.49270  1.000 30.42788 ? 53  GLN   A CA  1 
ATOM   431  C C   . GLN   A 1 55  ? 9.27206   -14.39771 7.69127  1.000 28.77986 ? 53  GLN   A C   1 
ATOM   432  O O   . GLN   A 1 55  ? 10.26481  -14.51675 8.41039  1.000 26.91456 ? 53  GLN   A O   1 
ATOM   433  C CB  . GLN   A 1 55  ? 10.27996  -16.15728 6.18112  1.000 34.48923 ? 53  GLN   A CB  1 
ATOM   434  C CG  . GLN   A 1 55  ? 10.07731  -17.21999 5.10227  1.000 37.17207 ? 53  GLN   A CG  1 
ATOM   435  C CD  . GLN   A 1 55  ? 11.25979  -18.17695 4.99860  1.000 42.98046 ? 53  GLN   A CD  1 
ATOM   436  O OE1 . GLN   A 1 55  ? 12.00537  -18.16250 4.01679  1.000 41.59389 ? 53  GLN   A OE1 1 
ATOM   437  N NE2 . GLN   A 1 55  ? 11.43243  -19.01608 6.01578  1.000 44.96758 ? 53  GLN   A NE2 1 
ATOM   438  N N   . GLU   A 1 56  ? 8.34822   -13.46021 7.90813  1.000 26.13061 ? 54  GLU   A N   1 
ATOM   439  C CA  . GLU   A 1 56  ? 8.47775   -12.53182 9.02380  1.000 22.60119 ? 54  GLU   A CA  1 
ATOM   440  C C   . GLU   A 1 56  ? 7.88654   -13.06285 10.31596 1.000 23.94206 ? 54  GLU   A C   1 
ATOM   441  O O   . GLU   A 1 56  ? 8.24473   -12.56830 11.39109 1.000 20.57419 ? 54  GLU   A O   1 
ATOM   442  C CB  . GLU   A 1 56  ? 7.81555   -11.19221 8.69236  1.000 26.56655 ? 54  GLU   A CB  1 
ATOM   443  C CG  . GLU   A 1 56  ? 8.62744   -10.37038 7.73463  1.000 32.45353 ? 54  GLU   A CG  1 
ATOM   444  C CD  . GLU   A 1 56  ? 8.16263   -8.93284  7.62817  1.000 28.68005 ? 54  GLU   A CD  1 
ATOM   445  O OE1 . GLU   A 1 56  ? 7.31350   -8.49158  8.43855  1.000 31.80060 ? 54  GLU   A OE1 1 
ATOM   446  O OE2 . GLU   A 1 56  ? 8.65753   -8.24019  6.71625  1.000 37.65529 ? 54  GLU   A OE2 1 
ATOM   447  N N   . VAL   A 1 57  ? 6.98075   -14.04056 10.23919 1.000 21.43865 ? 55  VAL   A N   1 
ATOM   448  C CA  . VAL   A 1 57  ? 6.26385   -14.53487 11.40352 1.000 18.92821 ? 55  VAL   A CA  1 
ATOM   449  C C   . VAL   A 1 57  ? 6.17534   -16.04951 11.31753 1.000 19.81545 ? 55  VAL   A C   1 
ATOM   450  O O   . VAL   A 1 57  ? 6.33766   -16.64188 10.25003 1.000 20.77191 ? 55  VAL   A O   1 
ATOM   451  C CB  . VAL   A 1 57  ? 4.84056   -13.93910 11.49905 1.000 17.69584 ? 55  VAL   A CB  1 
ATOM   452  C CG1 . VAL   A 1 57  ? 4.90175   -12.43226 11.78702 1.000 19.57870 ? 55  VAL   A CG1 1 
ATOM   453  C CG2 . VAL   A 1 57  ? 4.10324   -14.20064 10.20854 1.000 23.29237 ? 55  VAL   A CG2 1 
ATOM   454  N N   . ILE   A 1 58  ? 5.88377   -16.66895 12.46107 1.000 18.62508 ? 56  ILE   A N   1 
ATOM   455  C CA  . ILE   A 1 58  ? 5.68120   -18.11394 12.52989 1.000 20.68888 ? 56  ILE   A CA  1 
ATOM   456  C C   . ILE   A 1 58  ? 4.61473   -18.52053 11.52344 1.000 22.22362 ? 56  ILE   A C   1 
ATOM   457  O O   . ILE   A 1 58  ? 3.73443   -17.72686 11.17574 1.000 19.16966 ? 56  ILE   A O   1 
ATOM   458  C CB  . ILE   A 1 58  ? 5.28684   -18.55882 13.94798 1.000 19.12317 ? 56  ILE   A CB  1 
ATOM   459  C CG1 . ILE   A 1 58  ? 4.10013   -17.71863 14.42958 1.000 19.92168 ? 56  ILE   A CG1 1 
ATOM   460  C CG2 . ILE   A 1 58  ? 6.47215   -18.44222 14.89256 1.000 22.43443 ? 56  ILE   A CG2 1 
ATOM   461  C CD1 . ILE   A 1 58  ? 3.46182   -18.21363 15.70510 1.000 23.91833 ? 56  ILE   A CD1 1 
ATOM   462  N N   . ARG   A 1 59  ? 4.67644   -19.77238 11.07123 1.000 19.36653 ? 57  ARG   A N   1 
ATOM   463  C CA  . ARG   A 1 59  ? 3.81337   -20.22554 9.98295  1.000 19.85413 ? 57  ARG   A CA  1 
ATOM   464  C C   . ARG   A 1 59  ? 2.33347   -20.13015 10.33328 1.000 20.79457 ? 57  ARG   A C   1 
ATOM   465  O O   . ARG   A 1 59  ? 1.50701   -19.91485 9.44256  1.000 20.77271 ? 57  ARG   A O   1 
ATOM   466  C CB  . ARG   A 1 59  ? 4.16568   -21.67048 9.61000  1.000 21.90390 ? 57  ARG   A CB  1 
ATOM   467  C CG  . ARG   A 1 59  ? 3.48963   -22.17221 8.34537  1.000 24.81478 ? 57  ARG   A CG  1 
ATOM   468  C CD  . ARG   A 1 59  ? 4.07347   -23.52852 7.93823  1.000 34.77846 ? 57  ARG   A CD  1 
ATOM   469  N NE  . ARG   A 1 59  ? 3.48674   -24.03823 6.70418  1.000 37.18915 ? 57  ARG   A NE  1 
ATOM   470  C CZ  . ARG   A 1 59  ? 3.81496   -25.19443 6.14017  1.000 43.13429 ? 57  ARG   A CZ  1 
ATOM   471  N NH1 . ARG   A 1 59  ? 4.73037   -25.99074 6.67248  1.000 41.15161 ? 57  ARG   A NH1 1 
ATOM   472  N NH2 . ARG   A 1 59  ? 3.20614   -25.56334 5.01617  1.000 49.76474 ? 57  ARG   A NH2 1 
ATOM   473  N N   . GLY   A 1 60  ? 1.97491   -20.31417 11.60678 1.000 16.76830 ? 58  GLY   A N   1 
ATOM   474  C CA  . GLY   A 1 60  ? 0.57098   -20.27532 11.97985 1.000 17.99865 ? 58  GLY   A CA  1 
ATOM   475  C C   . GLY   A 1 60  ? -0.03790  -18.90629 11.78081 1.000 21.39941 ? 58  GLY   A C   1 
ATOM   476  O O   . GLY   A 1 60  ? -1.23592  -18.78818 11.51563 1.000 21.30188 ? 58  GLY   A O   1 
ATOM   477  N N   . TRP   A 1 61  ? 0.77521   -17.86194 11.90632 1.000 21.82914 ? 59  TRP   A N   1 
ATOM   478  C CA  . TRP   A 1 61  ? 0.33661   -16.50725 11.59557 1.000 20.65668 ? 59  TRP   A CA  1 
ATOM   479  C C   . TRP   A 1 61  ? 0.26139   -16.28471 10.09072 1.000 20.89156 ? 59  TRP   A C   1 
ATOM   480  O O   . TRP   A 1 61  ? -0.71057  -15.71511 9.58585  1.000 22.84117 ? 59  TRP   A O   1 
ATOM   481  C CB  . TRP   A 1 61  ? 1.30063   -15.50605 12.23108 1.000 22.76355 ? 59  TRP   A CB  1 
ATOM   482  C CG  . TRP   A 1 61  ? 0.85908   -15.03243 13.56516 1.000 21.43414 ? 59  TRP   A CG  1 
ATOM   483  C CD1 . TRP   A 1 61  ? 0.65199   -15.79305 14.68062 1.000 22.66094 ? 59  TRP   A CD1 1 
ATOM   484  C CD2 . TRP   A 1 61  ? 0.57578   -13.68280 13.93647 1.000 20.67698 ? 59  TRP   A CD2 1 
ATOM   485  N NE1 . TRP   A 1 61  ? 0.23827   -14.99299 15.72470 1.000 19.20925 ? 59  TRP   A NE1 1 
ATOM   486  C CE2 . TRP   A 1 61  ? 0.18938   -13.69358 15.29256 1.000 21.16818 ? 59  TRP   A CE2 1 
ATOM   487  C CE3 . TRP   A 1 61  ? 0.61642   -12.46390 13.25553 1.000 19.31278 ? 59  TRP   A CE3 1 
ATOM   488  C CZ2 . TRP   A 1 61  ? -0.15016  -12.53660 15.97987 1.000 22.30785 ? 59  TRP   A CZ2 1 
ATOM   489  C CZ3 . TRP   A 1 61  ? 0.26760   -11.30772 13.93879 1.000 18.28089 ? 59  TRP   A CZ3 1 
ATOM   490  C CH2 . TRP   A 1 61  ? -0.10015  -11.35273 15.28906 1.000 19.24379 ? 59  TRP   A CH2 1 
ATOM   491  N N   . GLU   A 1 62  ? 1.29605   -16.71962 9.36608  1.000 20.05083 ? 60  GLU   A N   1 
ATOM   492  C CA  . GLU   A 1 62  ? 1.34052   -16.54487 7.91748  1.000 20.57096 ? 60  GLU   A CA  1 
ATOM   493  C C   . GLU   A 1 62  ? 0.10822   -17.13922 7.24819  1.000 25.26088 ? 60  GLU   A C   1 
ATOM   494  O O   . GLU   A 1 62  ? -0.49874  -16.51591 6.36986  1.000 27.41099 ? 60  GLU   A O   1 
ATOM   495  C CB  . GLU   A 1 62  ? 2.61058   -17.18596 7.36091  1.000 22.78579 ? 60  GLU   A CB  1 
ATOM   496  C CG  . GLU   A 1 62  ? 2.83864   -16.91946 5.88777  1.000 27.54203 ? 60  GLU   A CG  1 
ATOM   497  C CD  . GLU   A 1 62  ? 3.57630   -15.61867 5.64477  1.000 26.89178 ? 60  GLU   A CD  1 
ATOM   498  O OE1 . GLU   A 1 62  ? 3.97169   -14.96805 6.63574  1.000 28.28316 ? 60  GLU   A OE1 1 
ATOM   499  O OE2 . GLU   A 1 62  ? 3.76186   -15.25408 4.46451  1.000 25.58964 ? 60  GLU   A OE2 1 
ATOM   500  N N   . GLU   A 1 63  ? -0.26828  -18.35629 7.63837  1.000 20.78194 ? 61  GLU   A N   1 
ATOM   501  C CA  . GLU   A 1 63  ? -1.46798  -18.94638 7.05791  1.000 21.22411 ? 61  GLU   A CA  1 
ATOM   502  C C   . GLU   A 1 63  ? -2.73139  -18.49582 7.78358  1.000 26.86220 ? 61  GLU   A C   1 
ATOM   503  O O   . GLU   A 1 63  ? -3.76833  -18.28163 7.14609  1.000 28.87921 ? 61  GLU   A O   1 
ATOM   504  C CB  . GLU   A 1 63  ? -1.34836  -20.46107 7.06428  1.000 22.07579 ? 61  GLU   A CB  1 
ATOM   505  C CG  . GLU   A 1 63  ? -0.13159  -20.95030 6.29550  1.000 25.26142 ? 61  GLU   A CG  1 
ATOM   506  C CD  . GLU   A 1 63  ? -0.22662  -22.42086 5.93925  1.000 33.36609 ? 61  GLU   A CD  1 
ATOM   507  O OE1 . GLU   A 1 63  ? -1.34187  -22.97619 6.00943  1.000 38.63283 ? 61  GLU   A OE1 1 
ATOM   508  O OE2 . GLU   A 1 63  ? 0.81622   -23.02082 5.59025  1.000 42.91492 ? 61  GLU   A OE2 1 
ATOM   509  N N   . GLY   A 1 64  ? -2.66123  -18.32951 9.10552  1.000 26.53172 ? 62  GLY   A N   1 
ATOM   510  C CA  . GLY   A 1 64  ? -3.85558  -17.98177 9.86118  1.000 21.36144 ? 62  GLY   A CA  1 
ATOM   511  C C   . GLY   A 1 64  ? -4.38164  -16.59327 9.54440  1.000 23.54602 ? 62  GLY   A C   1 
ATOM   512  O O   . GLY   A 1 64  ? -5.58127  -16.40806 9.30981  1.000 25.13724 ? 62  GLY   A O   1 
ATOM   513  N N   . VAL   A 1 65  ? -3.49730  -15.59413 9.53511  1.000 20.06492 ? 63  VAL   A N   1 
ATOM   514  C CA  . VAL   A 1 65  ? -3.96453  -14.22472 9.31606  1.000 18.87532 ? 63  VAL   A CA  1 
ATOM   515  C C   . VAL   A 1 65  ? -4.41611  -14.03409 7.87089  1.000 22.04785 ? 63  VAL   A C   1 
ATOM   516  O O   . VAL   A 1 65  ? -5.30773  -13.22126 7.59154  1.000 23.48675 ? 63  VAL   A O   1 
ATOM   517  C CB  . VAL   A 1 65  ? -2.86560  -13.22260 9.72629  1.000 21.77712 ? 63  VAL   A CB  1 
ATOM   518  C CG1 . VAL   A 1 65  ? -3.22044  -11.81083 9.29624  1.000 22.26988 ? 63  VAL   A CG1 1 
ATOM   519  C CG2 . VAL   A 1 65  ? -2.67462  -13.26006 11.23098 1.000 22.62099 ? 63  VAL   A CG2 1 
ATOM   520  N N   . ALA   A 1 66  ? -3.85423  -14.80564 6.93497  1.000 22.75092 ? 64  ALA   A N   1 
ATOM   521  C CA  . ALA   A 1 66  ? -4.29866  -14.71349 5.54981  1.000 23.31403 ? 64  ALA   A CA  1 
ATOM   522  C C   . ALA   A 1 66  ? -5.73410  -15.19935 5.36488  1.000 21.04902 ? 64  ALA   A C   1 
ATOM   523  O O   . ALA   A 1 66  ? -6.34663  -14.88796 4.33909  1.000 24.23723 ? 64  ALA   A O   1 
ATOM   524  C CB  . ALA   A 1 66  ? -3.35977  -15.50171 4.63826  1.000 25.23270 ? 64  ALA   A CB  1 
ATOM   525  N N   . GLN   A 1 67  ? -6.27727  -15.95756 6.31930  1.000 21.60329 ? 65  GLN   A N   1 
ATOM   526  C CA  . GLN   A 1 67  ? -7.67560  -16.38840 6.26584  1.000 21.37492 ? 65  GLN   A CA  1 
ATOM   527  C C   . GLN   A 1 67  ? -8.63378  -15.31569 6.75618  1.000 23.45461 ? 65  GLN   A C   1 
ATOM   528  O O   . GLN   A 1 67  ? -9.85525  -15.51796 6.70353  1.000 22.39882 ? 65  GLN   A O   1 
ATOM   529  C CB  . GLN   A 1 67  ? -7.89038  -17.64571 7.10536  1.000 25.70854 ? 65  GLN   A CB  1 
ATOM   530  C CG  . GLN   A 1 67  ? -7.12752  -18.86107 6.64284  1.000 26.20481 ? 65  GLN   A CG  1 
ATOM   531  C CD  . GLN   A 1 67  ? -7.38280  -20.06904 7.52761  1.000 28.47247 ? 65  GLN   A CD  1 
ATOM   532  O OE1 . GLN   A 1 67  ? -8.48120  -20.24826 8.04927  1.000 32.74084 ? 65  GLN   A OE1 1 
ATOM   533  N NE2 . GLN   A 1 67  ? -6.36322  -20.89154 7.71337  1.000 31.50352 ? 65  GLN   A NE2 1 
ATOM   534  N N   . MET   A 1 68  ? -8.11542  -14.19988 7.24468  1.000 23.21777 ? 66  MET   A N   1 
ATOM   535  C CA  . MET   A 1 68  ? -8.93398  -13.16603 7.85455  1.000 22.43135 ? 66  MET   A CA  1 
ATOM   536  C C   . MET   A 1 68  ? -9.16081  -12.02023 6.87774  1.000 25.26235 ? 66  MET   A C   1 
ATOM   537  O O   . MET   A 1 68  ? -8.30201  -11.70294 6.05420  1.000 28.39059 ? 66  MET   A O   1 
ATOM   538  C CB  . MET   A 1 68  ? -8.27148  -12.63429 9.12859  1.000 23.27876 ? 66  MET   A CB  1 
ATOM   539  C CG  . MET   A 1 68  ? -8.00998  -13.68237 10.19392 1.000 24.24522 ? 66  MET   A CG  1 
ATOM   540  S SD  . MET   A 1 68  ? -7.12038  -13.02999 11.62765 1.000 21.15564 ? 66  MET   A SD  1 
ATOM   541  C CE  . MET   A 1 68  ? -8.32883  -11.83069 12.19377 1.000 18.99644 ? 66  MET   A CE  1 
ATOM   542  N N   . SER   A 1 69  ? -10.32768 -11.39881 6.97654  1.000 21.01186 ? 67  SER   A N   1 
ATOM   543  C CA  . SER   A 1 69  ? -10.62009 -10.19483 6.21586  1.000 22.63062 ? 67  SER   A CA  1 
ATOM   544  C C   . SER   A 1 69  ? -10.48367 -8.97954  7.12141  1.000 22.48835 ? 67  SER   A C   1 
ATOM   545  O O   . SER   A 1 69  ? -10.53463 -9.09072  8.34858  1.000 22.51561 ? 67  SER   A O   1 
ATOM   546  C CB  . SER   A 1 69  ? -12.02160 -10.25672 5.60028  1.000 24.30104 ? 67  SER   A CB  1 
ATOM   547  O OG  . SER   A 1 69  ? -13.01494 -10.34158 6.60316  1.000 25.11166 ? 67  SER   A OG  1 
ATOM   548  N N   . VAL   A 1 70  ? -10.29248 -7.80980  6.49674  1.000 24.36824 ? 68  VAL   A N   1 
ATOM   549  C CA  . VAL   A 1 70  ? -10.03447 -6.58452  7.24751  1.000 24.82197 ? 68  VAL   A CA  1 
ATOM   550  C C   . VAL   A 1 70  ? -11.19606 -6.28036  8.18148  1.000 26.16108 ? 68  VAL   A C   1 
ATOM   551  O O   . VAL   A 1 70  ? -12.36465 -6.25912  7.77169  1.000 22.78612 ? 68  VAL   A O   1 
ATOM   552  C CB  . VAL   A 1 70  ? -9.76933  -5.40972  6.29345  1.000 27.80036 ? 68  VAL   A CB  1 
ATOM   553  C CG1 . VAL   A 1 70  ? -9.65679  -4.11201  7.07646  1.000 26.54102 ? 68  VAL   A CG1 1 
ATOM   554  C CG2 . VAL   A 1 70  ? -8.49609  -5.65578  5.48787  1.000 26.83552 ? 68  VAL   A CG2 1 
ATOM   555  N N   . GLY   A 1 71  ? -10.87330 -6.03493  9.44905  1.000 22.94215 ? 69  GLY   A N   1 
ATOM   556  C CA  . GLY   A 1 71  ? -11.84707 -5.80561  10.48637 1.000 24.58148 ? 69  GLY   A CA  1 
ATOM   557  C C   . GLY   A 1 71  ? -12.10914 -7.00588  11.36698 1.000 22.84262 ? 69  GLY   A C   1 
ATOM   558  O O   . GLY   A 1 71  ? -12.63821 -6.84474  12.47370 1.000 25.99140 ? 69  GLY   A O   1 
ATOM   559  N N   . GLN   A 1 72  ? -11.73482 -8.19968  10.91387 1.000 19.91613 ? 70  GLN   A N   1 
ATOM   560  C CA  . GLN   A 1 72  ? -12.08885 -9.41430  11.62440 1.000 23.24828 ? 70  GLN   A CA  1 
ATOM   561  C C   . GLN   A 1 72  ? -11.26122 -9.55590  12.89222 1.000 24.03251 ? 70  GLN   A C   1 
ATOM   562  O O   . GLN   A 1 72  ? -10.07101 -9.22308  12.92481 1.000 22.60499 ? 70  GLN   A O   1 
ATOM   563  C CB  . GLN   A 1 72  ? -11.88568 -10.61864 10.70777 1.000 20.75684 ? 70  GLN   A CB  1 
ATOM   564  C CG  . GLN   A 1 72  ? -12.28205 -11.97122 11.25852 1.000 20.68353 ? 70  GLN   A CG  1 
ATOM   565  C CD  . GLN   A 1 72  ? -12.14595 -13.03249 10.19646 1.000 21.27362 ? 70  GLN   A CD  1 
ATOM   566  O OE1 . GLN   A 1 72  ? -11.79628 -12.73151 9.05760  1.000 23.08529 ? 70  GLN   A OE1 1 
ATOM   567  N NE2 . GLN   A 1 72  ? -12.43373 -14.27293 10.54969 1.000 22.18279 ? 70  GLN   A NE2 1 
ATOM   568  N N   . ARG   A 1 73  ? -11.90349 -10.05035 13.94297 1.000 22.80281 ? 71  ARG   A N   1 
ATOM   569  C CA  . ARG   A 1 73  ? -11.21226 -10.48599 15.14373 1.000 24.06598 ? 71  ARG   A CA  1 
ATOM   570  C C   . ARG   A 1 73  ? -11.34932 -11.99941 15.24648 1.000 25.28999 ? 71  ARG   A C   1 
ATOM   571  O O   . ARG   A 1 73  ? -12.44876 -12.54421 15.08933 1.000 22.16738 ? 71  ARG   A O   1 
ATOM   572  C CB  . ARG   A 1 73  ? -11.76753 -9.79343  16.38668 1.000 27.57309 ? 71  ARG   A CB  1 
ATOM   573  C CG  . ARG   A 1 73  ? -10.83548 -9.89152  17.57760 1.000 30.91621 ? 71  ARG   A CG  1 
ATOM   574  C CD  . ARG   A 1 73  ? -11.20373 -8.89781  18.65214 1.000 27.91955 ? 71  ARG   A CD  1 
ATOM   575  N NE  . ARG   A 1 73  ? -10.38793 -9.07256  19.84749 1.000 29.49082 ? 71  ARG   A NE  1 
ATOM   576  C CZ  . ARG   A 1 73  ? -10.27539 -8.17001  20.81249 1.000 30.35862 ? 71  ARG   A CZ  1 
ATOM   577  N NH1 . ARG   A 1 73  ? -10.90410 -7.00388  20.74712 1.000 30.45476 ? 71  ARG   A NH1 1 
ATOM   578  N NH2 . ARG   A 1 73  ? -9.50959  -8.43909  21.86577 1.000 32.01283 ? 71  ARG   A NH2 1 
ATOM   579  N N   . ALA   A 1 74  ? -10.23412 -12.68240 15.47509 1.000 18.90743 ? 72  ALA   A N   1 
ATOM   580  C CA  . ALA   A 1 74  ? -10.26729 -14.13648 15.43715 1.000 18.13981 ? 72  ALA   A CA  1 
ATOM   581  C C   . ALA   A 1 74  ? -9.30846  -14.69842 16.47074 1.000 22.25499 ? 72  ALA   A C   1 
ATOM   582  O O   . ALA   A 1 74  ? -8.36307  -14.03606 16.90791 1.000 20.72103 ? 72  ALA   A O   1 
ATOM   583  C CB  . ALA   A 1 74  ? -9.92388  -14.66190 14.04069 1.000 22.09886 ? 72  ALA   A CB  1 
ATOM   584  N N   . LYS   A 1 75  ? -9.56840  -15.93690 16.85595 1.000 19.92005 ? 73  LYS   A N   1 
ATOM   585  C CA  . LYS   A 1 75  ? -8.72153  -16.68644 17.76793 1.000 23.07934 ? 73  LYS   A CA  1 
ATOM   586  C C   . LYS   A 1 75  ? -7.96274  -17.71231 16.94116 1.000 19.70022 ? 73  LYS   A C   1 
ATOM   587  O O   . LYS   A 1 75  ? -8.57155  -18.53548 16.25230 1.000 21.73514 ? 73  LYS   A O   1 
ATOM   588  C CB  . LYS   A 1 75  ? -9.56835  -17.35400 18.85295 1.000 28.54398 ? 73  LYS   A CB  1 
ATOM   589  C CG  . LYS   A 1 75  ? -8.80536  -18.20769 19.83972 1.000 30.33181 ? 73  LYS   A CG  1 
ATOM   590  C CD  . LYS   A 1 75  ? -9.78824  -18.91993 20.76492 1.000 35.41050 ? 73  LYS   A CD  1 
ATOM   591  C CE  . LYS   A 1 75  ? -9.09789  -19.95114 21.64091 1.000 42.06538 ? 73  LYS   A CE  1 
ATOM   592  N NZ  . LYS   A 1 75  ? -10.09092 -20.76691 22.39604 1.000 44.61433 ? 73  LYS   A NZ  1 
ATOM   593  N N   . LEU   A 1 76  ? -6.63471  -17.64088 16.97573 1.000 22.43363 ? 74  LEU   A N   1 
ATOM   594  C CA  . LEU   A 1 76  ? -5.78972  -18.54919 16.21140 1.000 24.73334 ? 74  LEU   A CA  1 
ATOM   595  C C   . LEU   A 1 76  ? -5.16524  -19.54977 17.17056 1.000 21.41415 ? 74  LEU   A C   1 
ATOM   596  O O   . LEU   A 1 76  ? -4.44282  -19.15744 18.09196 1.000 22.57963 ? 74  LEU   A O   1 
ATOM   597  C CB  . LEU   A 1 76  ? -4.71093  -17.77424 15.44824 1.000 25.53891 ? 74  LEU   A CB  1 
ATOM   598  C CG  . LEU   A 1 76  ? -5.07590  -17.20271 14.07209 1.000 23.05250 ? 74  LEU   A CG  1 
ATOM   599  C CD1 . LEU   A 1 76  ? -6.36216  -16.39719 14.08966 1.000 29.94446 ? 74  LEU   A CD1 1 
ATOM   600  C CD2 . LEU   A 1 76  ? -3.92459  -16.35424 13.54624 1.000 26.37831 ? 74  LEU   A CD2 1 
ATOM   601  N N   . THR   A 1 77  ? -5.45438  -20.83621 16.96596 1.000 20.44351 ? 75  THR   A N   1 
ATOM   602  C CA  . THR   A 1 77  ? -4.84567  -21.90092 17.74603 1.000 20.90755 ? 75  THR   A CA  1 
ATOM   603  C C   . THR   A 1 77  ? -3.80762  -22.57026 16.86341 1.000 21.90157 ? 75  THR   A C   1 
ATOM   604  O O   . THR   A 1 77  ? -4.13989  -23.10437 15.79953 1.000 21.71807 ? 75  THR   A O   1 
ATOM   605  C CB  . THR   A 1 77  ? -5.88761  -22.90389 18.23581 1.000 26.90724 ? 75  THR   A CB  1 
ATOM   606  O OG1 . THR   A 1 77  ? -6.86260  -22.21293 19.01916 1.000 27.12020 ? 75  THR   A OG1 1 
ATOM   607  C CG2 . THR   A 1 77  ? -5.23094  -23.96027 19.10632 1.000 23.14604 ? 75  THR   A CG2 1 
ATOM   608  N N   . ILE   A 1 78  ? -2.55465  -22.52510 17.29761 1.000 20.17310 ? 76  ILE   A N   1 
ATOM   609  C CA  . ILE   A 1 78  ? -1.41997  -22.86828 16.46040 1.000 16.79145 ? 76  ILE   A CA  1 
ATOM   610  C C   . ILE   A 1 78  ? -0.66390  -24.00031 17.14223 1.000 21.62698 ? 76  ILE   A C   1 
ATOM   611  O O   . ILE   A 1 78  ? -0.24809  -23.86801 18.29938 1.000 21.05288 ? 76  ILE   A O   1 
ATOM   612  C CB  . ILE   A 1 78  ? -0.51230  -21.64905 16.22480 1.000 20.40853 ? 76  ILE   A CB  1 
ATOM   613  C CG1 . ILE   A 1 78  ? -1.34062  -20.47674 15.67603 1.000 20.16779 ? 76  ILE   A CG1 1 
ATOM   614  C CG2 . ILE   A 1 78  ? 0.63362   -22.00965 15.29076 1.000 21.81954 ? 76  ILE   A CG2 1 
ATOM   615  C CD1 . ILE   A 1 78  ? -0.57726  -19.12965 15.66615 1.000 20.02644 ? 76  ILE   A CD1 1 
ATOM   616  N N   . SER   A 1 79  ? -0.53271  -25.12513 16.44548 1.000 21.33905 ? 77  SER   A N   1 
ATOM   617  C CA  . SER   A 1 79  ? 0.26857   -26.23081 16.94534 1.000 19.05640 ? 77  SER   A CA  1 
ATOM   618  C C   . SER   A 1 79  ? 1.74472   -25.83397 16.97994 1.000 21.12133 ? 77  SER   A C   1 
ATOM   619  O O   . SER   A 1 79  ? 2.17183   -24.95320 16.23722 1.000 21.93874 ? 77  SER   A O   1 
ATOM   620  C CB  . SER   A 1 79  ? 0.09447   -27.45336 16.05595 1.000 27.87978 ? 77  SER   A CB  1 
ATOM   621  O OG  . SER   A 1 79  ? 0.67275   -27.22497 14.78179 1.000 28.68829 ? 77  SER   A OG  1 
ATOM   622  N N   . PRO   A 1 80  ? 2.55193   -26.49405 17.81565 1.000 20.67198 ? 78  PRO   A N   1 
ATOM   623  C CA  . PRO   A 1 80  ? 3.99684   -26.19379 17.79899 1.000 20.46452 ? 78  PRO   A CA  1 
ATOM   624  C C   . PRO   A 1 80  ? 4.61517   -26.38859 16.42729 1.000 21.34381 ? 78  PRO   A C   1 
ATOM   625  O O   . PRO   A 1 80  ? 5.57495   -25.68531 16.07816 1.000 22.14017 ? 78  PRO   A O   1 
ATOM   626  C CB  . PRO   A 1 80  ? 4.57063   -27.17217 18.83437 1.000 24.79348 ? 78  PRO   A CB  1 
ATOM   627  C CG  . PRO   A 1 80  ? 3.53331   -28.25888 18.97107 1.000 20.37424 ? 78  PRO   A CG  1 
ATOM   628  C CD  . PRO   A 1 80  ? 2.21919   -27.57426 18.76146 1.000 21.26502 ? 78  PRO   A CD  1 
ATOM   629  N N   . ASP   A 1 81  ? 4.07572   -27.32043 15.63551 1.000 22.04194 ? 79  ASP   A N   1 
ATOM   630  C CA  . ASP   A 1 81  ? 4.51489   -27.50078 14.25538 1.000 21.91867 ? 79  ASP   A CA  1 
ATOM   631  C C   . ASP   A 1 81  ? 4.48455   -26.18967 13.48811 1.000 25.41436 ? 79  ASP   A C   1 
ATOM   632  O O   . ASP   A 1 81  ? 5.40395   -25.88267 12.72384 1.000 21.52854 ? 79  ASP   A O   1 
ATOM   633  C CB  . ASP   A 1 81  ? 3.63284   -28.53851 13.55578 1.000 24.26547 ? 79  ASP   A CB  1 
ATOM   634  C CG  . ASP   A 1 81  ? 3.70498   -29.90464 14.20836 1.000 30.17607 ? 79  ASP   A CG  1 
ATOM   635  O OD1 . ASP   A 1 81  ? 3.36434   -30.01985 15.40555 1.000 28.57723 ? 79  ASP   A OD1 1 
ATOM   636  O OD2 . ASP   A 1 81  ? 4.10352   -30.86556 13.52123 1.000 39.04412 ? 79  ASP   A OD2 1 
ATOM   637  N N   . TYR   A 1 82  ? 3.43345   -25.39996 13.68022 1.000 23.84288 ? 80  TYR   A N   1 
ATOM   638  C CA  . TYR   A 1 82  ? 3.27671   -24.13641 12.98064 1.000 24.37621 ? 80  TYR   A CA  1 
ATOM   639  C C   . TYR   A 1 82  ? 3.74172   -22.94632 13.81162 1.000 23.88028 ? 80  TYR   A C   1 
ATOM   640  O O   . TYR   A 1 82  ? 3.48477   -21.79587 13.43612 1.000 19.98636 ? 80  TYR   A O   1 
ATOM   641  C CB  . TYR   A 1 82  ? 1.81600   -23.96347 12.55291 1.000 21.86242 ? 80  TYR   A CB  1 
ATOM   642  C CG  . TYR   A 1 82  ? 1.51786   -24.51595 11.17593 1.000 25.93254 ? 80  TYR   A CG  1 
ATOM   643  C CD1 . TYR   A 1 82  ? 2.29268   -25.53297 10.63101 1.000 28.68615 ? 80  TYR   A CD1 1 
ATOM   644  C CD2 . TYR   A 1 82  ? 0.46394   -24.01685 10.41817 1.000 25.51899 ? 80  TYR   A CD2 1 
ATOM   645  C CE1 . TYR   A 1 82  ? 2.03838   -26.02674 9.37165  1.000 27.50372 ? 80  TYR   A CE1 1 
ATOM   646  C CE2 . TYR   A 1 82  ? 0.19622   -24.51020 9.15123  1.000 26.33380 ? 80  TYR   A CE2 1 
ATOM   647  C CZ  . TYR   A 1 82  ? 0.99385   -25.51828 8.63552  1.000 30.80807 ? 80  TYR   A CZ  1 
ATOM   648  O OH  . TYR   A 1 82  ? 0.74234   -26.01978 7.38072  1.000 38.60715 ? 80  TYR   A OH  1 
ATOM   649  N N   . ALA   A 1 83  ? 4.44448   -23.19172 14.91791 1.000 23.89411 ? 81  ALA   A N   1 
ATOM   650  C CA  . ALA   A 1 83  ? 4.94415   -22.09901 15.74315 1.000 21.59294 ? 81  ALA   A CA  1 
ATOM   651  C C   . ALA   A 1 83  ? 6.43150   -22.28486 15.99958 1.000 22.52014 ? 81  ALA   A C   1 
ATOM   652  O O   . ALA   A 1 83  ? 7.23870   -22.20300 15.06788 1.000 23.13869 ? 81  ALA   A O   1 
ATOM   653  C CB  . ALA   A 1 83  ? 4.17224   -22.01622 17.06408 1.000 21.25585 ? 81  ALA   A CB  1 
ATOM   654  N N   . TYR   A 1 84  ? 6.79979   -22.56912 17.24630 1.000 21.65480 ? 82  TYR   A N   1 
ATOM   655  C CA  . TYR   A 1 84  ? 8.20353   -22.64986 17.63378 1.000 22.19817 ? 82  TYR   A CA  1 
ATOM   656  C C   . TYR   A 1 84  ? 8.72687   -24.07242 17.77954 1.000 26.03097 ? 82  TYR   A C   1 
ATOM   657  O O   . TYR   A 1 84  ? 9.88544   -24.24483 18.17494 1.000 24.06951 ? 82  TYR   A O   1 
ATOM   658  C CB  . TYR   A 1 84  ? 8.41946   -21.87589 18.93097 1.000 25.01145 ? 82  TYR   A CB  1 
ATOM   659  C CG  . TYR   A 1 84  ? 8.11386   -20.41190 18.73152 1.000 23.06793 ? 82  TYR   A CG  1 
ATOM   660  C CD1 . TYR   A 1 84  ? 9.03583   -19.57733 18.11418 1.000 27.39827 ? 82  TYR   A CD1 1 
ATOM   661  C CD2 . TYR   A 1 84  ? 6.89446   -19.87333 19.11771 1.000 22.79918 ? 82  TYR   A CD2 1 
ATOM   662  C CE1 . TYR   A 1 84  ? 8.76422   -18.23798 17.90700 1.000 24.59946 ? 82  TYR   A CE1 1 
ATOM   663  C CE2 . TYR   A 1 84  ? 6.61098   -18.52949 18.91201 1.000 24.26335 ? 82  TYR   A CE2 1 
ATOM   664  C CZ  . TYR   A 1 84  ? 7.55036   -17.71998 18.30642 1.000 26.54586 ? 82  TYR   A CZ  1 
ATOM   665  O OH  . TYR   A 1 84  ? 7.29685   -16.38406 18.09279 1.000 25.68719 ? 82  TYR   A OH  1 
ATOM   666  N N   . GLY   A 1 85  ? 7.91752   -25.08614 17.47562 1.000 24.06323 ? 83  GLY   A N   1 
ATOM   667  C CA  . GLY   A 1 85  ? 8.43760   -26.44137 17.35960 1.000 23.82363 ? 83  GLY   A CA  1 
ATOM   668  C C   . GLY   A 1 85  ? 9.14635   -26.92983 18.60928 1.000 28.86363 ? 83  GLY   A C   1 
ATOM   669  O O   . GLY   A 1 85  ? 8.79859   -26.58740 19.74505 1.000 28.50528 ? 83  GLY   A O   1 
ATOM   670  N N   . ALA   A 1 86  ? 10.17206  -27.75611 18.38870 1.000 28.61408 ? 84  ALA   A N   1 
ATOM   671  C CA  . ALA   A 1 86  ? 10.89973  -28.35079 19.50045 1.000 32.66731 ? 84  ALA   A CA  1 
ATOM   672  C C   . ALA   A 1 86  ? 11.79381  -27.35207 20.22205 1.000 33.28876 ? 84  ALA   A C   1 
ATOM   673  O O   . ALA   A 1 86  ? 12.19705  -27.61884 21.35600 1.000 37.53883 ? 84  ALA   A O   1 
ATOM   674  C CB  . ALA   A 1 86  ? 11.73738  -29.53536 19.00917 1.000 27.67967 ? 84  ALA   A CB  1 
ATOM   675  N N   . THR   A 1 87  ? 12.09037  -26.20063 19.61498 1.000 33.96492 ? 85  THR   A N   1 
ATOM   676  C CA  . THR   A 1 87  ? 13.05214  -25.27604 20.20121 1.000 34.25230 ? 85  THR   A CA  1 
ATOM   677  C C   . THR   A 1 87  ? 12.40903  -24.24524 21.11799 1.000 37.45659 ? 85  THR   A C   1 
ATOM   678  O O   . THR   A 1 87  ? 13.04073  -23.81133 22.08814 1.000 36.31190 ? 85  THR   A O   1 
ATOM   679  C CB  . THR   A 1 87  ? 13.82800  -24.55112 19.09745 1.000 38.63875 ? 85  THR   A CB  1 
ATOM   680  O OG1 . THR   A 1 87  ? 12.91286  -23.82212 18.27122 1.000 36.17793 ? 85  THR   A OG1 1 
ATOM   681  C CG2 . THR   A 1 87  ? 14.58618  -25.54731 18.23802 1.000 38.59522 ? 85  THR   A CG2 1 
ATOM   682  N N   . GLY   A 1 88  ? 11.16929  -23.84946 20.84235 1.000 32.36649 ? 86  GLY   A N   1 
ATOM   683  C CA  . GLY   A 1 88  ? 10.56137  -22.76519 21.57875 1.000 32.90661 ? 86  GLY   A CA  1 
ATOM   684  C C   . GLY   A 1 88  ? 11.13666  -21.41951 21.15426 1.000 32.32580 ? 86  GLY   A C   1 
ATOM   685  O O   . GLY   A 1 88  ? 11.87366  -21.28986 20.17615 1.000 33.52119 ? 86  GLY   A O   1 
ATOM   686  N N   . HIS   A 1 89  ? 10.75902  -20.40363 21.90969 1.000 34.07560 ? 87  HIS   A N   1 
ATOM   687  C CA  . HIS   A 1 89  ? 11.28682  -19.06463 21.70215 1.000 34.74173 ? 87  HIS   A CA  1 
ATOM   688  C C   . HIS   A 1 89  ? 12.10974  -18.68309 22.91587 1.000 35.90088 ? 87  HIS   A C   1 
ATOM   689  O O   . HIS   A 1 89  ? 11.60396  -18.78052 24.04262 1.000 40.01425 ? 87  HIS   A O   1 
ATOM   690  C CB  . HIS   A 1 89  ? 10.15280  -18.05420 21.48862 1.000 35.25838 ? 87  HIS   A CB  1 
ATOM   691  C CG  . HIS   A 1 89  ? 10.59547  -16.75843 20.87238 1.000 34.05230 ? 87  HIS   A CG  1 
ATOM   692  N ND1 . HIS   A 1 89  ? 11.24991  -16.69250 19.66049 1.000 35.19895 ? 87  HIS   A ND1 1 
ATOM   693  C CD2 . HIS   A 1 89  ? 10.45993  -15.47954 21.29498 1.000 34.43730 ? 87  HIS   A CD2 1 
ATOM   694  C CE1 . HIS   A 1 89  ? 11.50326  -15.43011 19.36617 1.000 36.59825 ? 87  HIS   A CE1 1 
ATOM   695  N NE2 . HIS   A 1 89  ? 11.03361  -14.67311 20.34194 1.000 39.28845 ? 87  HIS   A NE2 1 
ATOM   696  N N   . PRO   A 1 90  ? 13.38040  -18.27310 22.73126 1.000 44.35807 ? 88  PRO   A N   1 
ATOM   697  C CA  . PRO   A 1 90  ? 14.28995  -18.09314 23.87378 1.000 44.20993 ? 88  PRO   A CA  1 
ATOM   698  C C   . PRO   A 1 90  ? 13.70126  -17.30670 25.03388 1.000 45.16197 ? 88  PRO   A C   1 
ATOM   699  O O   . PRO   A 1 90  ? 13.32298  -16.13981 24.88938 1.000 46.68373 ? 88  PRO   A O   1 
ATOM   700  C CB  . PRO   A 1 90  ? 15.47933  -17.35614 23.24717 1.000 48.59967 ? 88  PRO   A CB  1 
ATOM   701  C CG  . PRO   A 1 90  ? 15.51258  -17.86792 21.84446 1.000 47.76554 ? 88  PRO   A CG  1 
ATOM   702  C CD  . PRO   A 1 90  ? 14.06174  -18.04052 21.44418 1.000 39.93597 ? 88  PRO   A CD  1 
ATOM   703  N N   . GLY   A 1 91  ? 13.60092  -17.96667 26.18644 1.000 48.45519 ? 89  GLY   A N   1 
ATOM   704  C CA  . GLY   A 1 91  ? 13.15040  -17.31996 27.40044 1.000 45.84360 ? 89  GLY   A CA  1 
ATOM   705  C C   . GLY   A 1 91  ? 11.70930  -16.88068 27.39840 1.000 43.15739 ? 89  GLY   A C   1 
ATOM   706  O O   . GLY   A 1 91  ? 11.34616  -15.99761 28.17760 1.000 47.54050 ? 89  GLY   A O   1 
ATOM   707  N N   . ILE   A 1 92  ? 10.86868  -17.46449 26.54264 1.000 46.34721 ? 90  ILE   A N   1 
ATOM   708  C CA  . ILE   A 1 92  ? 9.47303   -17.04691 26.44737 1.000 45.18665 ? 90  ILE   A CA  1 
ATOM   709  C C   . ILE   A 1 92  ? 8.55476   -18.25596 26.31846 1.000 42.56216 ? 90  ILE   A C   1 
ATOM   710  O O   . ILE   A 1 92  ? 7.62431   -18.43349 27.11395 1.000 42.03322 ? 90  ILE   A O   1 
ATOM   711  C CB  . ILE   A 1 92  ? 9.25812   -16.08098 25.26419 1.000 44.71430 ? 90  ILE   A CB  1 
ATOM   712  C CG1 . ILE   A 1 92  ? 10.15253  -14.84121 25.39748 1.000 43.57397 ? 90  ILE   A CG1 1 
ATOM   713  C CG2 . ILE   A 1 92  ? 7.80124   -15.66838 25.17459 1.000 40.35894 ? 90  ILE   A CG2 1 
ATOM   714  C CD1 . ILE   A 1 92  ? 10.04278  -13.86315 24.24103 1.000 44.95875 ? 90  ILE   A CD1 1 
ATOM   715  N N   . ILE   A 1 93  ? 8.79208   -19.08398 25.30752 1.000 41.18819 ? 91  ILE   A N   1 
ATOM   716  C CA  . ILE   A 1 93  ? 7.86930   -20.17067 24.99467 1.000 37.53608 ? 91  ILE   A CA  1 
ATOM   717  C C   . ILE   A 1 93  ? 8.61058   -21.50364 25.03531 1.000 36.42798 ? 91  ILE   A C   1 
ATOM   718  O O   . ILE   A 1 93  ? 9.68622   -21.64620 24.43377 1.000 37.52463 ? 91  ILE   A O   1 
ATOM   719  C CB  . ILE   A 1 93  ? 7.18776   -19.91628 23.64238 1.000 31.99099 ? 91  ILE   A CB  1 
ATOM   720  C CG1 . ILE   A 1 93  ? 6.32326   -18.64930 23.74516 1.000 33.16913 ? 91  ILE   A CG1 1 
ATOM   721  C CG2 . ILE   A 1 93  ? 6.35264   -21.11615 23.22299 1.000 30.93270 ? 91  ILE   A CG2 1 
ATOM   722  C CD1 . ILE   A 1 93  ? 5.90748   -18.08329 22.42322 1.000 30.05091 ? 91  ILE   A CD1 1 
ATOM   723  N N   . PRO   A 1 94  ? 8.07956   -22.49160 25.74716 1.000 35.71341 ? 92  PRO   A N   1 
ATOM   724  C CA  . PRO   A 1 94  ? 8.78268   -23.77094 25.92182 1.000 39.40800 ? 92  PRO   A CA  1 
ATOM   725  C C   . PRO   A 1 94  ? 8.67698   -24.64527 24.68512 1.000 37.56347 ? 92  PRO   A C   1 
ATOM   726  O O   . PRO   A 1 94  ? 7.83946   -24.39493 23.80230 1.000 34.06882 ? 92  PRO   A O   1 
ATOM   727  C CB  . PRO   A 1 94  ? 8.04550   -24.40787 27.11034 1.000 35.61348 ? 92  PRO   A CB  1 
ATOM   728  C CG  . PRO   A 1 94  ? 6.68237   -23.81920 27.04996 1.000 35.73813 ? 92  PRO   A CG  1 
ATOM   729  C CD  . PRO   A 1 94  ? 6.84188   -22.41903 26.54216 1.000 35.49996 ? 92  PRO   A CD  1 
ATOM   730  N N   . PRO   A 1 95  ? 9.49717   -25.69559 24.59428 1.000 35.58530 ? 93  PRO   A N   1 
ATOM   731  C CA  . PRO   A 1 95  ? 9.35991   -26.65043 23.48804 1.000 29.21553 ? 93  PRO   A CA  1 
ATOM   732  C C   . PRO   A 1 95  ? 7.96616   -27.26655 23.41349 1.000 29.69525 ? 93  PRO   A C   1 
ATOM   733  O O   . PRO   A 1 95  ? 7.30047   -27.48946 24.42821 1.000 34.86814 ? 93  PRO   A O   1 
ATOM   734  C CB  . PRO   A 1 95  ? 10.41342  -27.71560 23.81235 1.000 35.08380 ? 93  PRO   A CB  1 
ATOM   735  C CG  . PRO   A 1 95  ? 11.44572  -26.97830 24.58638 1.000 37.02778 ? 93  PRO   A CG  1 
ATOM   736  C CD  . PRO   A 1 95  ? 10.68301  -25.98607 25.42125 1.000 40.66684 ? 93  PRO   A CD  1 
ATOM   737  N N   . HIS   A 1 96  ? 7.53423   -27.53428 22.17712 1.000 29.28205 ? 94  HIS   A N   1 
ATOM   738  C CA  . HIS   A 1 96  ? 6.28803   -28.25570 21.88291 1.000 24.05317 ? 94  HIS   A CA  1 
ATOM   739  C C   . HIS   A 1 96  ? 5.05059   -27.54059 22.42629 1.000 29.98321 ? 94  HIS   A C   1 
ATOM   740  O O   . HIS   A 1 96  ? 4.08248   -28.17600 22.84864 1.000 25.39909 ? 94  HIS   A O   1 
ATOM   741  C CB  . HIS   A 1 96  ? 6.35085   -29.68877 22.41120 1.000 27.93285 ? 94  HIS   A CB  1 
ATOM   742  C CG  . HIS   A 1 96  ? 7.57931   -30.42997 21.98883 1.000 25.94168 ? 94  HIS   A CG  1 
ATOM   743  N ND1 . HIS   A 1 96  ? 7.90693   -30.62858 20.66576 1.000 27.77525 ? 94  HIS   A ND1 1 
ATOM   744  C CD2 . HIS   A 1 96  ? 8.55113   -31.03418 22.71259 1.000 25.01248 ? 94  HIS   A CD2 1 
ATOM   745  C CE1 . HIS   A 1 96  ? 9.02879   -31.32134 20.59109 1.000 22.21555 ? 94  HIS   A CE1 1 
ATOM   746  N NE2 . HIS   A 1 96  ? 9.44477   -31.57148 21.81924 1.000 25.06153 ? 94  HIS   A NE2 1 
ATOM   747  N N   . ALA   A 1 97  ? 5.06187   -26.21312 22.39496 1.000 26.56320 ? 95  ALA   A N   1 
ATOM   748  C CA  . ALA   A 1 97  ? 3.96094   -25.43530 22.95364 1.000 27.14157 ? 95  ALA   A CA  1 
ATOM   749  C C   . ALA   A 1 97  ? 2.88394   -25.19574 21.90490 1.000 25.80898 ? 95  ALA   A C   1 
ATOM   750  O O   . ALA   A 1 97  ? 3.19060   -24.85041 20.75914 1.000 24.51463 ? 95  ALA   A O   1 
ATOM   751  C CB  . ALA   A 1 97  ? 4.46275   -24.09575 23.49556 1.000 30.26607 ? 95  ALA   A CB  1 
ATOM   752  N N   . THR   A 1 98  ? 1.62558   -25.39332 22.30073 1.000 24.65503 ? 96  THR   A N   1 
ATOM   753  C CA  . THR   A 1 98  ? 0.48500   -24.96140 21.51040 1.000 22.13111 ? 96  THR   A CA  1 
ATOM   754  C C   . THR   A 1 98  ? 0.18697   -23.51402 21.87605 1.000 22.79142 ? 96  THR   A C   1 
ATOM   755  O O   . THR   A 1 98  ? 0.12384   -23.16530 23.06037 1.000 24.19990 ? 96  THR   A O   1 
ATOM   756  C CB  . THR   A 1 98  ? -0.75142  -25.82643 21.76790 1.000 25.80340 ? 96  THR   A CB  1 
ATOM   757  O OG1 . THR   A 1 98  ? -0.51569  -27.16230 21.31902 1.000 25.65416 ? 96  THR   A OG1 1 
ATOM   758  C CG2 . THR   A 1 98  ? -1.94524  -25.27275 21.01571 1.000 23.16344 ? 96  THR   A CG2 1 
ATOM   759  N N   . LEU   A 1 99  ? 0.01027   -22.67809 20.86913 1.000 20.98198 ? 97  LEU   A N   1 
ATOM   760  C CA  . LEU   A 1 99  ? -0.18433  -21.25519 21.10152 1.000 21.07434 ? 97  LEU   A CA  1 
ATOM   761  C C   . LEU   A 1 99  ? -1.59179  -20.82692 20.71537 1.000 20.89099 ? 97  LEU   A C   1 
ATOM   762  O O   . LEU   A 1 99  ? -2.21611  -21.41790 19.83143 1.000 24.73932 ? 97  LEU   A O   1 
ATOM   763  C CB  . LEU   A 1 99  ? 0.83653   -20.43557 20.31803 1.000 22.50192 ? 97  LEU   A CB  1 
ATOM   764  C CG  . LEU   A 1 99  ? 2.29023   -20.76929 20.63621 1.000 21.74427 ? 97  LEU   A CG  1 
ATOM   765  C CD1 . LEU   A 1 99  ? 3.17116   -19.71406 20.01524 1.000 23.33813 ? 97  LEU   A CD1 1 
ATOM   766  C CD2 . LEU   A 1 99  ? 2.50042   -20.84146 22.13994 1.000 22.21078 ? 97  LEU   A CD2 1 
ATOM   767  N N   . VAL   A 1 100 ? -2.08516  -19.79139 21.39276 1.000 24.03974 ? 98  VAL   A N   1 
ATOM   768  C CA  . VAL   A 1 100 ? -3.38221  -19.18994 21.09640 1.000 20.44750 ? 98  VAL   A CA  1 
ATOM   769  C C   . VAL   A 1 100 ? -3.18641  -17.68217 20.99092 1.000 24.34867 ? 98  VAL   A C   1 
ATOM   770  O O   . VAL   A 1 100 ? -2.69718  -17.04786 21.93427 1.000 23.23329 ? 98  VAL   A O   1 
ATOM   771  C CB  . VAL   A 1 100 ? -4.44354  -19.51901 22.15951 1.000 22.59670 ? 98  VAL   A CB  1 
ATOM   772  C CG1 . VAL   A 1 100 ? -5.72970  -18.76267 21.86751 1.000 27.15964 ? 98  VAL   A CG1 1 
ATOM   773  C CG2 . VAL   A 1 100 ? -4.71061  -21.02455 22.21557 1.000 27.79995 ? 98  VAL   A CG2 1 
ATOM   774  N N   . PHE   A 1 101 ? -3.56148  -17.11315 19.84922 1.000 17.40573 ? 99  PHE   A N   1 
ATOM   775  C CA  . PHE   A 1 101 ? -3.45787  -15.67976 19.61610 1.000 20.56467 ? 99  PHE   A CA  1 
ATOM   776  C C   . PHE   A 1 101 ? -4.84445  -15.14482 19.32809 1.000 21.01223 ? 99  PHE   A C   1 
ATOM   777  O O   . PHE   A 1 101 ? -5.56661  -15.69602 18.49015 1.000 22.20433 ? 99  PHE   A O   1 
ATOM   778  C CB  . PHE   A 1 101 ? -2.53622  -15.34152 18.44246 1.000 21.07550 ? 99  PHE   A CB  1 
ATOM   779  C CG  . PHE   A 1 101 ? -1.07239  -15.52681 18.73239 1.000 23.55433 ? 99  PHE   A CG  1 
ATOM   780  C CD1 . PHE   A 1 101 ? -0.45648  -16.76280 18.53858 1.000 20.50874 ? 99  PHE   A CD1 1 
ATOM   781  C CD2 . PHE   A 1 101 ? -0.30456  -14.46245 19.17261 1.000 17.92850 ? 99  PHE   A CD2 1 
ATOM   782  C CE1 . PHE   A 1 101 ? 0.90092   -16.93196 18.79166 1.000 16.77872 ? 99  PHE   A CE1 1 
ATOM   783  C CE2 . PHE   A 1 101 ? 1.06552   -14.62151 19.42413 1.000 20.02081 ? 99  PHE   A CE2 1 
ATOM   784  C CZ  . PHE   A 1 101 ? 1.66325   -15.85872 19.23187 1.000 21.76588 ? 99  PHE   A CZ  1 
ATOM   785  N N   . ASP   A 1 102 ? -5.20988  -14.09589 20.04201 1.000 20.29794 ? 100 ASP   A N   1 
ATOM   786  C CA  . ASP   A 1 102 ? -6.33255  -13.25595 19.67630 1.000 24.62527 ? 100 ASP   A CA  1 
ATOM   787  C C   . ASP   A 1 102 ? -5.80777  -12.19463 18.72208 1.000 20.87260 ? 100 ASP   A C   1 
ATOM   788  O O   . ASP   A 1 102 ? -4.91516  -11.42378 19.08618 1.000 21.22995 ? 100 ASP   A O   1 
ATOM   789  C CB  . ASP   A 1 102 ? -6.94439  -12.65259 20.93171 1.000 18.35553 ? 100 ASP   A CB  1 
ATOM   790  C CG  . ASP   A 1 102 ? -8.22494  -11.90620 20.64725 1.000 28.13163 ? 100 ASP   A CG  1 
ATOM   791  O OD1 . ASP   A 1 102 ? -8.16737  -10.88124 19.93384 1.000 30.13432 ? 100 ASP   A OD1 1 
ATOM   792  O OD2 . ASP   A 1 102 ? -9.28405  -12.34960 21.12556 1.000 33.25831 ? 100 ASP   A OD2 1 
ATOM   793  N N   . VAL   A 1 103 ? -6.30322  -12.19568 17.48623 1.000 21.87374 ? 101 VAL   A N   1 
ATOM   794  C CA  . VAL   A 1 103 ? -5.78756  -11.31698 16.44118 1.000 19.70889 ? 101 VAL   A CA  1 
ATOM   795  C C   . VAL   A 1 103 ? -6.93001  -10.48083 15.88104 1.000 21.63045 ? 101 VAL   A C   1 
ATOM   796  O O   . VAL   A 1 103 ? -7.98393  -11.01845 15.52680 1.000 18.26162 ? 101 VAL   A O   1 
ATOM   797  C CB  . VAL   A 1 103 ? -5.10323  -12.10291 15.30769 1.000 22.01383 ? 101 VAL   A CB  1 
ATOM   798  C CG1 . VAL   A 1 103 ? -4.54765  -11.13702 14.27150 1.000 22.12118 ? 101 VAL   A CG1 1 
ATOM   799  C CG2 . VAL   A 1 103 ? -3.98707  -13.01506 15.85646 1.000 18.34790 ? 101 VAL   A CG2 1 
ATOM   800  N N   . GLU   A 1 104 ? -6.71486  -9.16871  15.78756 1.000 18.74778 ? 102 GLU   A N   1 
ATOM   801  C CA  . GLU   A 1 104 ? -7.64492  -8.26259  15.11802 1.000 22.02043 ? 102 GLU   A CA  1 
ATOM   802  C C   . GLU   A 1 104 ? -6.93289  -7.64089  13.92830 1.000 23.50960 ? 102 GLU   A C   1 
ATOM   803  O O   . GLU   A 1 104 ? -5.93013  -6.94145  14.10294 1.000 20.86103 ? 102 GLU   A O   1 
ATOM   804  C CB  . GLU   A 1 104 ? -8.13934  -7.15646  16.05182 1.000 22.20202 ? 102 GLU   A CB  1 
ATOM   805  C CG  . GLU   A 1 104 ? -9.23926  -6.30302  15.40497 1.000 26.06787 ? 102 GLU   A CG  1 
ATOM   806  C CD  . GLU   A 1 104 ? -9.75978  -5.20421  16.30543 1.000 30.45834 ? 102 GLU   A CD  1 
ATOM   807  O OE1 . GLU   A 1 104 ? -9.24712  -5.04540  17.43231 1.000 27.24402 ? 102 GLU   A OE1 1 
ATOM   808  O OE2 . GLU   A 1 104 ? -10.69413 -4.48969  15.87845 1.000 33.46142 ? 102 GLU   A OE2 1 
ATOM   809  N N   . LEU   A 1 105 ? -7.43514  -7.90102  12.72541 1.000 21.21141 ? 103 LEU   A N   1 
ATOM   810  C CA  . LEU   A 1 105 ? -6.82980  -7.34414  11.51876 1.000 20.91692 ? 103 LEU   A CA  1 
ATOM   811  C C   . LEU   A 1 105 ? -7.37789  -5.94239  11.31609 1.000 21.78329 ? 103 LEU   A C   1 
ATOM   812  O O   . LEU   A 1 105 ? -8.56095  -5.77957  11.01461 1.000 20.43313 ? 103 LEU   A O   1 
ATOM   813  C CB  . LEU   A 1 105 ? -7.12499  -8.22703  10.31144 1.000 20.94568 ? 103 LEU   A CB  1 
ATOM   814  C CG  . LEU   A 1 105 ? -6.56823  -7.78991  8.95808  1.000 21.04790 ? 103 LEU   A CG  1 
ATOM   815  C CD1 . LEU   A 1 105 ? -5.06091  -7.51942  9.06052  1.000 21.55863 ? 103 LEU   A CD1 1 
ATOM   816  C CD2 . LEU   A 1 105 ? -6.83363  -8.90629  7.96371  1.000 24.51475 ? 103 LEU   A CD2 1 
ATOM   817  N N   . LEU   A 1 106 ? -6.52639  -4.92760  11.49147 1.000 21.56195 ? 104 LEU   A N   1 
ATOM   818  C CA  . LEU   A 1 106 ? -6.99426  -3.54099  11.48632 1.000 21.92202 ? 104 LEU   A CA  1 
ATOM   819  C C   . LEU   A 1 106 ? -7.05876  -2.95815  10.08103 1.000 21.64795 ? 104 LEU   A C   1 
ATOM   820  O O   . LEU   A 1 106 ? -8.06077  -2.33019  9.70723  1.000 23.69008 ? 104 LEU   A O   1 
ATOM   821  C CB  . LEU   A 1 106 ? -6.08189  -2.67522  12.36677 1.000 19.96662 ? 104 LEU   A CB  1 
ATOM   822  C CG  . LEU   A 1 106 ? -6.04076  -3.09445  13.83855 1.000 24.01094 ? 104 LEU   A CG  1 
ATOM   823  C CD1 . LEU   A 1 106 ? -4.92985  -2.39135  14.60039 1.000 23.10949 ? 104 LEU   A CD1 1 
ATOM   824  C CD2 . LEU   A 1 106 ? -7.39962  -2.89234  14.51921 1.000 28.12062 ? 104 LEU   A CD2 1 
ATOM   825  N N   . LYS   A 1 107 ? -5.98648  -3.12251  9.31157  1.000 22.15463 ? 105 LYS   A N   1 
ATOM   826  C CA  . LYS   A 1 107 ? -5.92632  -2.60748  7.95381  1.000 22.58163 ? 105 LYS   A CA  1 
ATOM   827  C C   . LYS   A 1 107 ? -4.79827  -3.30810  7.21852  1.000 22.74042 ? 105 LYS   A C   1 
ATOM   828  O O   . LYS   A 1 107 ? -3.99607  -4.03282  7.81250  1.000 27.28373 ? 105 LYS   A O   1 
ATOM   829  C CB  . LYS   A 1 107 ? -5.71676  -1.08851  7.93770  1.000 22.27837 ? 105 LYS   A CB  1 
ATOM   830  C CG  . LYS   A 1 107 ? -4.32849  -0.64047  8.40079  1.000 23.23525 ? 105 LYS   A CG  1 
ATOM   831  C CD  . LYS   A 1 107 ? -4.25458  0.89523   8.40754  1.000 22.44711 ? 105 LYS   A CD  1 
ATOM   832  C CE  . LYS   A 1 107 ? -2.94040  1.40008   8.96148  1.000 29.64742 ? 105 LYS   A CE  1 
ATOM   833  N NZ  . LYS   A 1 107 ? -2.88835  2.88963   8.92082  1.000 35.18749 ? 105 LYS   A NZ  1 
ATOM   834  N N   . LEU   A 1 108 ? -4.75119  -3.08272  5.90984  1.000 23.76588 ? 106 LEU   A N   1 
ATOM   835  C CA  . LEU   A 1 108 ? -3.65540  -3.54098  5.06986  1.000 28.23534 ? 106 LEU   A CA  1 
ATOM   836  C C   . LEU   A 1 108 ? -2.92278  -2.33447  4.50708  1.000 31.03054 ? 106 LEU   A C   1 
ATOM   837  O O   . LEU   A 1 108 ? -3.55004  -1.33068  4.15253  1.000 32.25267 ? 106 LEU   A O   1 
ATOM   838  C CB  . LEU   A 1 108 ? -4.14952  -4.41829  3.92315  1.000 27.64061 ? 106 LEU   A CB  1 
ATOM   839  C CG  . LEU   A 1 108 ? -4.80803  -5.72975  4.31595  1.000 25.39318 ? 106 LEU   A CG  1 
ATOM   840  C CD1 . LEU   A 1 108 ? -5.30523  -6.44575  3.07011  1.000 31.56285 ? 106 LEU   A CD1 1 
ATOM   841  C CD2 . LEU   A 1 108 ? -3.82543  -6.59246  5.08856  1.000 29.85889 ? 106 LEU   A CD2 1 
ATOM   842  N N   . GLU   A 1 109 ? -1.59972  -2.44542  4.42667  1.000 32.80974 ? 107 GLU   A N   1 
ATOM   843  C CA  . GLU   A 1 109 ? -0.73658  -1.37599  3.92431  1.000 36.57236 ? 107 GLU   A CA  1 
ATOM   844  C C   . GLU   A 1 109 ? 0.14829   -1.84937  2.77087  1.000 40.01180 ? 107 GLU   A C   1 
ATOM   845  O O   . GLU   A 1 109 ? 0.22859   -3.03725  2.47273  1.000 35.08769 ? 107 GLU   A O   1 
ATOM   846  C CB  . GLU   A 1 109 ? 0.15855   -0.83527  5.03987  1.000 38.57063 ? 107 GLU   A CB  1 
ATOM   847  C CG  . GLU   A 1 109 ? -0.55645  -0.04100  6.11032  1.000 40.32489 ? 107 GLU   A CG  1 
ATOM   848  C CD  . GLU   A 1 109 ? 0.41427   0.49882   7.13535  1.000 38.39437 ? 107 GLU   A CD  1 
ATOM   849  O OE1 . GLU   A 1 109 ? 1.54582   -0.02702  7.19630  1.000 43.48209 ? 107 GLU   A OE1 1 
ATOM   850  O OE2 . GLU   A 1 109 ? 0.06007   1.45114   7.86469  1.000 42.55679 ? 107 GLU   A OE2 1 
ATOM   851  O OXT . GLU   A 1 109 ? 0.83050   -1.05413  2.12168  1.000 44.38063 ? 107 GLU   A OXT 1 
HETATM 852  C C1  . A1AZI B 2 .   ? 9.94993   -15.66648 11.76606 1.000 18.69207 ? 201 A1AZI A C1  1 
HETATM 853  C C2  . A1AZI B 2 .   ? 9.88525   -17.11315 11.94512 1.000 17.75650 ? 201 A1AZI A C2  1 
HETATM 854  C C3  . A1AZI B 2 .   ? 10.09840  -17.67999 13.25603 1.000 22.03589 ? 201 A1AZI A C3  1 
HETATM 855  O O1  . A1AZI B 2 .   ? 10.10601  -9.25402  17.56151 1.000 27.93336 ? 201 A1AZI A O1  1 
HETATM 856  O O2  . A1AZI B 2 .   ? 11.90708  -7.95294  19.23509 1.000 38.18407 ? 201 A1AZI A O2  1 
HETATM 857  O O3  . A1AZI B 2 .   ? 6.89800   -5.52350  18.35262 1.000 33.95781 ? 201 A1AZI A O3  1 
HETATM 858  C C41 . A1AZI B 2 .   ? 9.82596   -17.43727 9.49746  1.000 21.35322 ? 201 A1AZI A C41 1 
HETATM 859  C C11 . A1AZI B 2 .   ? 8.06581   -11.25182 14.28151 1.000 21.18930 ? 201 A1AZI A C11 1 
HETATM 860  C C12 . A1AZI B 2 .   ? 8.27440   -9.81428  14.22211 1.000 18.74495 ? 201 A1AZI A C12 1 
HETATM 861  C C13 . A1AZI B 2 .   ? 8.94932   -9.15756  15.31983 1.000 23.42799 ? 201 A1AZI A C13 1 
HETATM 862  C C14 . A1AZI B 2 .   ? 9.41570   -9.91803  16.46378 1.000 27.14514 ? 201 A1AZI A C14 1 
HETATM 863  C C15 . A1AZI B 2 .   ? 9.23052   -11.35379 16.53273 1.000 20.06717 ? 201 A1AZI A C15 1 
HETATM 864  C C16 . A1AZI B 2 .   ? 10.37586  -7.83005  17.32370 1.000 36.34019 ? 201 A1AZI A C16 1 
HETATM 865  C C17 . A1AZI B 2 .   ? 10.99256  -7.30086  18.70102 1.000 37.78148 ? 201 A1AZI A C17 1 
HETATM 866  C C18 . A1AZI B 2 .   ? 11.12636  -5.65152  20.70653 1.000 43.32226 ? 201 A1AZI A C18 1 
HETATM 867  C C19 . A1AZI B 2 .   ? 9.99753   -5.24688  21.77581 1.000 43.45629 ? 201 A1AZI A C19 1 
HETATM 868  C C20 . A1AZI B 2 .   ? 9.10937   -4.07353  21.14192 1.000 38.03345 ? 201 A1AZI A C20 1 
HETATM 869  C C21 . A1AZI B 2 .   ? 9.14666   -3.82617  19.56123 1.000 37.12143 ? 201 A1AZI A C21 1 
HETATM 870  C C22 . A1AZI B 2 .   ? 9.33620   -5.20806  18.77186 1.000 37.73497 ? 201 A1AZI A C22 1 
HETATM 871  C C23 . A1AZI B 2 .   ? 7.95035   -6.01827  18.81050 1.000 37.29889 ? 201 A1AZI A C23 1 
HETATM 872  C C24 . A1AZI B 2 .   ? 6.64262   -8.18465  19.45449 1.000 32.70009 ? 201 A1AZI A C24 1 
HETATM 873  C C25 . A1AZI B 2 .   ? 6.71954   -9.20969  20.67640 1.000 31.60240 ? 201 A1AZI A C25 1 
HETATM 874  C C26 . A1AZI B 2 .   ? 6.68386   -11.51176 21.57612 1.000 30.32067 ? 201 A1AZI A C26 1 
HETATM 875  C C27 . A1AZI B 2 .   ? 6.71573   -12.97333 20.95006 1.000 26.25194 ? 201 A1AZI A C27 1 
HETATM 876  C C28 . A1AZI B 2 .   ? 5.26702   -13.25477 20.36484 1.000 26.21239 ? 201 A1AZI A C28 1 
HETATM 877  C C29 . A1AZI B 2 .   ? 5.11538   -14.17054 19.07727 1.000 27.24105 ? 201 A1AZI A C29 1 
HETATM 878  C C30 . A1AZI B 2 .   ? 4.67366   -14.34073 16.49274 1.000 22.40194 ? 201 A1AZI A C30 1 
HETATM 879  C C10 . A1AZI B 2 .   ? 8.56203   -11.99406 15.42883 1.000 22.02665 ? 201 A1AZI A C10 1 
HETATM 880  C C31 . A1AZI B 2 .   ? 6.02084   -14.29930 15.67562 1.000 23.47394 ? 201 A1AZI A C31 1 
HETATM 881  C C32 . A1AZI B 2 .   ? 3.50289   -13.76173 15.56376 1.000 22.97951 ? 201 A1AZI A C32 1 
HETATM 882  C C33 . A1AZI B 2 .   ? 3.63717   -12.17824 15.37331 1.000 19.96272 ? 201 A1AZI A C33 1 
HETATM 883  C C34 . A1AZI B 2 .   ? 3.52567   -11.53031 16.82452 1.000 20.03616 ? 201 A1AZI A C34 1 
HETATM 884  C C35 . A1AZI B 2 .   ? 4.75950   -11.97969 17.72517 1.000 23.79019 ? 201 A1AZI A C35 1 
HETATM 885  C C36 . A1AZI B 2 .   ? 7.77082   -13.00210 19.74482 1.000 32.05481 ? 201 A1AZI A C36 1 
HETATM 886  C C37 . A1AZI B 2 .   ? 7.07462   -14.05357 22.06836 1.000 30.16048 ? 201 A1AZI A C37 1 
HETATM 887  C C38 . A1AZI B 2 .   ? 6.49864   -8.97134  18.06794 1.000 28.37054 ? 201 A1AZI A C38 1 
HETATM 888  C C39 . A1AZI B 2 .   ? 8.47359   -3.17086  21.96948 1.000 41.47676 ? 201 A1AZI A C39 1 
HETATM 889  C C4  . A1AZI B 2 .   ? 10.39348  -16.83308 14.39675 1.000 24.57619 ? 201 A1AZI A C4  1 
HETATM 890  C C40 . A1AZI B 2 .   ? 10.53797  -19.57733 14.72658 1.000 27.69759 ? 201 A1AZI A C40 1 
HETATM 891  C C5  . A1AZI B 2 .   ? 10.45460  -15.39262 14.21733 1.000 18.38798 ? 201 A1AZI A C5  1 
HETATM 892  C C6  . A1AZI B 2 .   ? 10.23806  -14.80971 12.90394 1.000 22.07748 ? 201 A1AZI A C6  1 
HETATM 893  C C7  . A1AZI B 2 .   ? 10.77768  -14.44896 15.46250 1.000 24.10862 ? 201 A1AZI A C7  1 
HETATM 894  C C8  . A1AZI B 2 .   ? 9.49596   -14.24590 16.38991 1.000 23.75709 ? 201 A1AZI A C8  1 
HETATM 895  C C9  . A1AZI B 2 .   ? 8.33757   -13.55629 15.53566 1.000 21.14116 ? 201 A1AZI A C9  1 
HETATM 896  N N1  . A1AZI B 2 .   ? 10.46703  -6.05019  19.38946 1.000 34.76770 ? 201 A1AZI A N1  1 
HETATM 897  N N2  . A1AZI B 2 .   ? 7.94416   -7.40831  19.41853 1.000 37.35509 ? 201 A1AZI A N2  1 
HETATM 898  N N3  . A1AZI B 2 .   ? 4.86353   -13.49813 17.74940 1.000 20.43226 ? 201 A1AZI A N3  1 
HETATM 899  O O10 . A1AZI B 2 .   ? 10.03524  -19.12663 13.42153 1.000 23.02022 ? 201 A1AZI A O10 1 
HETATM 900  O O11 . A1AZI B 2 .   ? 9.60032   -17.99981 10.82561 1.000 24.92844 ? 201 A1AZI A O11 1 
HETATM 901  O O4  . A1AZI B 2 .   ? 6.45772   -10.63435 20.42624 1.000 34.30206 ? 201 A1AZI A O4  1 
HETATM 902  O O5  . A1AZI B 2 .   ? 7.12680   -13.63757 16.34139 1.000 21.41566 ? 201 A1AZI A O5  1 
HETATM 903  O O6  . A1AZI B 2 .   ? 6.10535   -14.78292 14.54026 1.000 24.79141 ? 201 A1AZI A O6  1 
HETATM 904  O O7  . A1AZI B 2 .   ? 5.20691   -15.40459 19.17901 1.000 26.64017 ? 201 A1AZI A O7  1 
HETATM 905  O O8  . A1AZI B 2 .   ? 4.25889   -12.77457 20.90951 1.000 30.14934 ? 201 A1AZI A O8  1 
HETATM 906  O O9  . A1AZI B 2 .   ? 7.00564   -8.79471  21.81893 1.000 34.96117 ? 201 A1AZI A O9  1 
HETATM 907  O O   . HOH   C 3 .   ? -14.18802 -7.06160  14.26405 1.000 36.93207 ? 301 HOH   A O   1 
HETATM 908  O O   . HOH   C 3 .   ? 5.18934   -31.10945 16.57419 1.000 29.18779 ? 302 HOH   A O   1 
HETATM 909  O O   . HOH   C 3 .   ? -12.89895 -5.46456  16.23520 1.000 42.98694 ? 303 HOH   A O   1 
HETATM 910  O O   . HOH   C 3 .   ? -7.13730  -23.05653 9.59082  1.000 34.05084 ? 304 HOH   A O   1 
HETATM 911  O O   . HOH   C 3 .   ? 6.26431   -16.39515 7.80034  1.000 25.39742 ? 305 HOH   A O   1 
HETATM 912  O O   . HOH   C 3 .   ? 6.429     -17.844   1.700    1.000 42.17994 ? 306 HOH   A O   1 
HETATM 913  O O   . HOH   C 3 .   ? -0.35532  -17.07279 3.94029  1.000 33.09753 ? 307 HOH   A O   1 
HETATM 914  O O   . HOH   C 3 .   ? 11.560    -22.354   16.771   1.000 37.06971 ? 308 HOH   A O   1 
HETATM 915  O O   . HOH   C 3 .   ? -15.98830 -16.67747 10.19461 1.000 27.34147 ? 309 HOH   A O   1 
HETATM 916  O O   . HOH   C 3 .   ? 10.93618  -9.05093  6.07872  1.000 35.04032 ? 310 HOH   A O   1 
HETATM 917  O O   . HOH   C 3 .   ? -5.88705  -7.88595  -0.32658 1.000 36.33701 ? 311 HOH   A O   1 
HETATM 918  O O   . HOH   C 3 .   ? 6.15397   -9.42208  26.31648 1.000 34.31685 ? 312 HOH   A O   1 
HETATM 919  O O   . HOH   C 3 .   ? 7.24484   -16.48297 28.67391 1.000 44.48751 ? 313 HOH   A O   1 
HETATM 920  O O   . HOH   C 3 .   ? -18.80888 -7.29319  8.98041  1.000 39.53132 ? 314 HOH   A O   1 
HETATM 921  O O   . HOH   C 3 .   ? -12.86944 -19.54524 10.94844 1.000 38.26635 ? 315 HOH   A O   1 
HETATM 922  O O   . HOH   C 3 .   ? 2.58164   -7.98918  26.93521 1.000 37.86811 ? 316 HOH   A O   1 
HETATM 923  O O   . HOH   C 3 .   ? 1.34259   -28.75887 22.18185 1.000 27.45024 ? 317 HOH   A O   1 
HETATM 924  O O   . HOH   C 3 .   ? -1.90808  -27.54854 8.70787  1.000 31.91718 ? 318 HOH   A O   1 
HETATM 925  O O   . HOH   C 3 .   ? -13.64611 -3.96638  7.84529  1.000 35.16652 ? 319 HOH   A O   1 
HETATM 926  O O   . HOH   C 3 .   ? 8.49981   -6.50900  -0.74198 1.000 47.07947 ? 320 HOH   A O   1 
HETATM 927  O O   . HOH   C 3 .   ? -5.64434  -14.23698 1.57539  1.000 36.74866 ? 321 HOH   A O   1 
HETATM 928  O O   . HOH   C 3 .   ? 3.87719   -5.74323  18.72855 1.000 24.06114 ? 322 HOH   A O   1 
HETATM 929  O O   . HOH   C 3 .   ? -8.82931  -21.25183 17.52072 1.000 22.50334 ? 323 HOH   A O   1 
HETATM 930  O O   . HOH   C 3 .   ? -3.42079  1.31913   4.30196  1.000 39.03233 ? 324 HOH   A O   1 
HETATM 931  O O   . HOH   C 3 .   ? 7.45240   -24.48288 21.16359 1.000 25.10565 ? 325 HOH   A O   1 
HETATM 932  O O   . HOH   C 3 .   ? 3.51786   -3.13606  19.44805 1.000 24.52118 ? 326 HOH   A O   1 
HETATM 933  O O   . HOH   C 3 .   ? -4.807    4.661     8.296    1.000 37.97657 ? 327 HOH   A O   1 
HETATM 934  O O   . HOH   C 3 .   ? 4.69914   -2.32360  15.63139 1.000 28.63751 ? 328 HOH   A O   1 
HETATM 935  O O   . HOH   C 3 .   ? 12.60629  -14.24131 9.72663  1.000 24.08898 ? 329 HOH   A O   1 
HETATM 936  O O   . HOH   C 3 .   ? -6.03063  -8.90720  21.93044 1.000 27.96735 ? 330 HOH   A O   1 
HETATM 937  O O   . HOH   C 3 .   ? -9.34484  -9.69373  -1.17321 1.000 38.33240 ? 331 HOH   A O   1 
HETATM 938  O O   . HOH   C 3 .   ? 13.23101  -29.47912 23.03295 1.000 37.93047 ? 332 HOH   A O   1 
HETATM 939  O O   . HOH   C 3 .   ? 9.58665   -9.78760  20.16680 1.000 35.66431 ? 333 HOH   A O   1 
HETATM 940  O O   . HOH   C 3 .   ? 9.46931   -23.55079 14.32175 1.000 31.93455 ? 334 HOH   A O   1 
HETATM 941  O O   . HOH   C 3 .   ? 7.12933   -7.78772  11.35422 1.000 23.70476 ? 335 HOH   A O   1 
HETATM 942  O O   . HOH   C 3 .   ? -13.55740 -12.97133 6.99515  1.000 24.06665 ? 336 HOH   A O   1 
HETATM 943  O O   . HOH   C 3 .   ? -11.54315 -11.21209 22.12286 1.000 37.31748 ? 337 HOH   A O   1 
HETATM 944  O O   . HOH   C 3 .   ? -15.33358 -19.40435 13.54103 1.000 28.25786 ? 338 HOH   A O   1 
HETATM 945  O O   . HOH   C 3 .   ? 2.24727   -16.59274 2.63850  1.000 36.47822 ? 339 HOH   A O   1 
HETATM 946  O O   . HOH   C 3 .   ? 7.15844   -29.61179 18.24406 1.000 23.86306 ? 340 HOH   A O   1 
HETATM 947  O O   . HOH   C 3 .   ? 13.901    -17.346   2.202    1.000 37.64871 ? 341 HOH   A O   1 
HETATM 948  O O   . HOH   C 3 .   ? -6.67586  -8.70827  19.12558 1.000 25.30911 ? 342 HOH   A O   1 
HETATM 949  O O   . HOH   C 3 .   ? -11.16552 -4.14710  13.18133 1.000 39.69869 ? 343 HOH   A O   1 
HETATM 950  O O   . HOH   C 3 .   ? 6.02850   -13.14371 6.29432  1.000 24.45095 ? 344 HOH   A O   1 
HETATM 951  O O   . HOH   C 3 .   ? -7.61057  -23.28985 21.46480 1.000 36.70064 ? 345 HOH   A O   1 
HETATM 952  O O   . HOH   C 3 .   ? -11.08336 -17.06246 4.74988  1.000 31.13286 ? 346 HOH   A O   1 
HETATM 953  O O   . HOH   C 3 .   ? 6.39997   -16.02225 4.05299  1.000 30.09711 ? 347 HOH   A O   1 
HETATM 954  O O   . HOH   C 3 .   ? -9.63750  -23.07207 11.02549 1.000 27.97995 ? 348 HOH   A O   1 
HETATM 955  O O   . HOH   C 3 .   ? 6.65024   -21.54107 12.40782 1.000 23.21149 ? 349 HOH   A O   1 
HETATM 956  O O   . HOH   C 3 .   ? -15.56677 -12.00127 8.49509  1.000 23.66094 ? 350 HOH   A O   1 
HETATM 957  O O   . HOH   C 3 .   ? -6.44186  -2.28592  22.62920 1.000 33.72781 ? 351 HOH   A O   1 
HETATM 958  O O   . HOH   C 3 .   ? -12.05249 -16.06483 8.37173  1.000 27.46888 ? 352 HOH   A O   1 
HETATM 959  O O   . HOH   C 3 .   ? -10.59806 -2.43082  10.96735 1.000 27.28346 ? 353 HOH   A O   1 
HETATM 960  O O   . HOH   C 3 .   ? -0.950    4.901     9.421    1.000 34.07025 ? 354 HOH   A O   1 
HETATM 961  O O   . HOH   C 3 .   ? -7.06231  -2.04510  4.61126  1.000 27.50146 ? 355 HOH   A O   1 
HETATM 962  O O   . HOH   C 3 .   ? 6.42411   -23.92047 10.92817 1.000 28.84451 ? 356 HOH   A O   1 
HETATM 963  O O   . HOH   C 3 .   ? 6.35525   -10.65748 0.11121  1.000 37.04015 ? 357 HOH   A O   1 
HETATM 964  O O   . HOH   C 3 .   ? 8.46741   -7.58464  23.96582 1.000 44.26752 ? 358 HOH   A O   1 
HETATM 965  O O   . HOH   C 3 .   ? -4.16362  -26.04928 15.65389 1.000 24.34570 ? 359 HOH   A O   1 
HETATM 966  O O   . HOH   C 3 .   ? -1.19486  -3.00008  -0.02360 1.000 37.50573 ? 360 HOH   A O   1 
HETATM 967  O O   . HOH   C 3 .   ? -17.23724 -18.20612 17.41035 1.000 32.02214 ? 361 HOH   A O   1 
HETATM 968  O O   . HOH   C 3 .   ? -1.343    -28.527   18.908   1.000 25.67358 ? 362 HOH   A O   1 
HETATM 969  O O   . HOH   C 3 .   ? -8.52986  -2.48282  18.56512 1.000 37.91187 ? 363 HOH   A O   1 
HETATM 970  O O   . HOH   C 3 .   ? 5.60408   -4.21663  13.89262 1.000 29.65366 ? 364 HOH   A O   1 
HETATM 971  O O   . HOH   C 3 .   ? 8.92428   -20.78756 11.29265 1.000 27.05487 ? 365 HOH   A O   1 
HETATM 972  O O   . HOH   C 3 .   ? 5.48511   -23.37952 19.74127 1.000 26.34270 ? 366 HOH   A O   1 
HETATM 973  O O   . HOH   C 3 .   ? 9.65184   -15.96984 1.11188  1.000 36.00492 ? 367 HOH   A O   1 
HETATM 974  O O   . HOH   C 3 .   ? 11.80823  -11.55375 7.25496  1.000 28.54043 ? 368 HOH   A O   1 
HETATM 975  O O   . HOH   C 3 .   ? 11.03397  -11.91698 21.36704 1.000 37.07127 ? 369 HOH   A O   1 
HETATM 976  O O   . HOH   C 3 .   ? -10.93969 -1.56185  15.70318 1.000 33.52761 ? 370 HOH   A O   1 
HETATM 977  O O   . HOH   C 3 .   ? -6.56799  -27.06805 15.89491 1.000 32.60917 ? 371 HOH   A O   1 
HETATM 978  O O   . HOH   C 3 .   ? 2.27019   0.51428   14.42606 1.000 24.79735 ? 372 HOH   A O   1 
HETATM 979  O O   . HOH   C 3 .   ? -5.244    -27.564   20.062   1.000 32.79493 ? 373 HOH   A O   1 
HETATM 980  O O   . HOH   C 3 .   ? 5.46231   -5.76565  -1.65442 1.000 33.16668 ? 374 HOH   A O   1 
HETATM 981  O O   . HOH   C 3 .   ? -7.64404  -10.25802 23.43682 1.000 33.98599 ? 375 HOH   A O   1 
HETATM 982  O O   . HOH   C 3 .   ? -16.80641 -13.75466 3.12560  1.000 39.36080 ? 376 HOH   A O   1 
HETATM 983  O O   . HOH   C 3 .   ? -11.58605 -5.48049  -1.31409 1.000 37.03979 ? 377 HOH   A O   1 
HETATM 984  O O   . HOH   C 3 .   ? -6.07470  -4.64065  0.12250  1.000 40.24744 ? 378 HOH   A O   1 
HETATM 985  O O   . HOH   C 3 .   ? 4.43825   1.60552   12.82814 1.000 40.01329 ? 379 HOH   A O   1 
HETATM 986  O O   . HOH   C 3 .   ? -4.58235  -1.44919  1.22885  1.000 42.42044 ? 380 HOH   A O   1 
HETATM 987  O O   . HOH   C 3 .   ? -12.90162 -2.89253  5.01966  1.000 38.84651 ? 381 HOH   A O   1 
HETATM 988  O O   . HOH   C 3 .   ? -7.34054  -26.29591 11.86296 1.000 35.42683 ? 382 HOH   A O   1 
HETATM 989  O O   . HOH   C 3 .   ? -3.74191  -25.23373 9.03856  1.000 29.86312 ? 383 HOH   A O   1 
HETATM 990  O O   . HOH   C 3 .   ? 6.14073   -4.60344  6.58375  1.000 34.06386 ? 384 HOH   A O   1 
HETATM 991  O O   . HOH   C 3 .   ? -14.36749 -4.35246  13.45721 1.000 38.65085 ? 385 HOH   A O   1 
HETATM 992  O O   . HOH   C 3 .   ? -17.74318 -7.25510  13.80507 1.000 34.21154 ? 386 HOH   A O   1 
HETATM 993  O O   . HOH   C 3 .   ? -6.94136  -11.51020 -1.90811 1.000 37.31590 ? 387 HOH   A O   1 
HETATM 994  O O   . HOH   C 3 .   ? -13.40638 -6.34839  18.73778 1.000 37.09263 ? 388 HOH   A O   1 
HETATM 995  O O   . HOH   C 3 .   ? -9.18596  -0.34226  7.31739  1.000 35.39049 ? 389 HOH   A O   1 
HETATM 996  O O   . HOH   C 3 .   ? 13.617    -21.038   16.432   1.000 37.09889 ? 390 HOH   A O   1 
HETATM 997  O O   . HOH   C 3 .   ? 1.246     -14.619   -4.114   1.000 35.98398 ? 391 HOH   A O   1 
HETATM 998  O O   . HOH   C 3 .   ? -3.448    -27.262   18.261   1.000 28.83082 ? 392 HOH   A O   1 
HETATM 999  O O   . HOH   C 3 .   ? 14.30889  -25.24640 25.71443 1.000 41.01798 ? 393 HOH   A O   1 
HETATM 1000 O O   . HOH   C 3 .   ? -13.10420 -13.69807 22.68367 1.000 35.39002 ? 394 HOH   A O   1 
HETATM 1001 O O   . HOH   C 3 .   ? 14.782    -15.037   5.773    1.000 35.38502 ? 395 HOH   A O   1 
HETATM 1002 O O   . HOH   C 3 .   ? -6.99833  -2.72728  1.34611  1.000 35.09448 ? 396 HOH   A O   1 
HETATM 1003 O O   . HOH   C 3 .   ? 12.71490  -24.40790 27.71927 1.000 54.82294 ? 397 HOH   A O   1 
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