data_9DED
# 
_entry.id   9DED 
# 
_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   9DED         pdb_00009ded 10.2210/pdb9ded/pdb 
WWPDB D_1000287828 ?            ?                   
# 
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 2025-02-19 ? 
2 'Structure model' 1 1 2025-02-26 ? 
3 'Structure model' 1 2 2025-04-30 ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
loop_
_pdbx_audit_revision_group.ordinal 
_pdbx_audit_revision_group.revision_ordinal 
_pdbx_audit_revision_group.data_content_type 
_pdbx_audit_revision_group.group 
1 2 'Structure model' 'Database references' 
2 3 'Structure model' 'Database references' 
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1 2 'Structure model' citation        
2 2 'Structure model' citation_author 
3 3 'Structure model' citation        
4 3 'Structure model' citation_author 
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1  2 'Structure model' '_citation.country'                 
2  2 'Structure model' '_citation.journal_abbrev'          
3  2 'Structure model' '_citation.journal_id_ASTM'         
4  2 'Structure model' '_citation.journal_id_CSD'          
5  2 'Structure model' '_citation.journal_id_ISSN'         
6  2 'Structure model' '_citation.page_first'              
7  2 'Structure model' '_citation.page_last'               
8  2 'Structure model' '_citation.pdbx_database_id_DOI'    
9  2 'Structure model' '_citation.pdbx_database_id_PubMed' 
10 2 'Structure model' '_citation.title'                   
11 2 'Structure model' '_citation.year'                    
12 3 'Structure model' '_citation.journal_volume'          
13 3 'Structure model' '_citation_author.name'             
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9DED 
_pdbx_database_status.recvd_initial_deposition_date   2024-08-28 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              dabaker@uw.edu 
_pdbx_contact_author.name_first         David 
_pdbx_contact_author.name_last          Baker 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-7896-6217 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Pellock, S.J.' 1 0000-0002-7557-7985 
'Lauko, A.'     2 ?                   
'Bera, A.'      3 0000-0001-9473-2912 
# 
_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                   US 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Science 
_citation.journal_id_ASTM           SCIEAS 
_citation.journal_id_CSD            0038 
_citation.journal_id_ISSN           1095-9203 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            388 
_citation.language                  ? 
_citation.page_first                eadu2454 
_citation.page_last                 eadu2454 
_citation.title                     'Computational design of serine hydrolases.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1126/science.adu2454 
_citation.pdbx_database_id_PubMed   39946508 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Lauko, A.'         1  0000-0001-5903-3518 
primary 'Pellock, S.J.'     2  0000-0002-7557-7985 
primary 'Sumida, K.H.'      3  0000-0003-2773-9676 
primary 'Anishchenko, I.'   4  0000-0003-3645-2044 
primary 'Juergens, D.'      5  0000-0001-6425-8391 
primary 'Ahern, W.'         6  0009-0006-1247-8847 
primary 'Jeung, J.'         7  0009-0004-8604-908X 
primary 'Shida, A.F.'       8  0000-0003-4140-6085 
primary 'Hunt, A.'          9  0000-0001-9620-593X 
primary 'Kalvet, I.'        10 0000-0002-6610-2857 
primary 'Norn, C.'          11 0000-0002-1450-4651 
primary 'Humphreys, I.R.'   12 ?                   
primary 'Jamieson, C.'      13 ?                   
primary 'Krishna, R.'       14 0009-0003-6387-9622 
primary 'Kipnis, Y.'        15 0000-0002-3057-4916 
primary 'Kang, A.'          16 0000-0001-5487-0499 
primary 'Brackenbrough, E.' 17 0009-0004-1476-0219 
primary 'Bera, A.K.'        18 0000-0001-9473-2912 
primary 'Sankaran, B.'      19 0000-0002-3266-8131 
primary 'Houk, K.N.'        20 0000-0002-8387-5261 
primary 'Baker, D.'         21 0000-0001-7896-6217 
# 
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 'Design protein n8' 13692.180 1  ? ? ? ? 
2 water   nat water               18.015    72 ? ? ? ? 
# 
_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       
;MSGEEERFRAYYERYFAALAARDYETLLEILREFGVAKLVLNGREFASPEEAVQWARDTGLRFLRLIRERYEDGVYTVED
IVSRDDGRYYRHTSTLRRQPDGSYVQYSQLELLGSG
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MSGEEERFRAYYERYFAALAARDYETLLEILREFGVAKLVLNGREFASPEEAVQWARDTGLRFLRLIRERYEDGVYTVED
IVSRDDGRYYRHTSTLRRQPDGSYVQYSQLELLGSG
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
_pdbx_entity_nonpoly.entity_id   2 
_pdbx_entity_nonpoly.name        water 
_pdbx_entity_nonpoly.comp_id     HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   SER n 
1 3   GLY n 
1 4   GLU n 
1 5   GLU n 
1 6   GLU n 
1 7   ARG n 
1 8   PHE n 
1 9   ARG n 
1 10  ALA n 
1 11  TYR n 
1 12  TYR n 
1 13  GLU n 
1 14  ARG n 
1 15  TYR n 
1 16  PHE n 
1 17  ALA n 
1 18  ALA n 
1 19  LEU n 
1 20  ALA n 
1 21  ALA n 
1 22  ARG n 
1 23  ASP n 
1 24  TYR n 
1 25  GLU n 
1 26  THR n 
1 27  LEU n 
1 28  LEU n 
1 29  GLU n 
1 30  ILE n 
1 31  LEU n 
1 32  ARG n 
1 33  GLU n 
1 34  PHE n 
1 35  GLY n 
1 36  VAL n 
1 37  ALA n 
1 38  LYS n 
1 39  LEU n 
1 40  VAL n 
1 41  LEU n 
1 42  ASN n 
1 43  GLY n 
1 44  ARG n 
1 45  GLU n 
1 46  PHE n 
1 47  ALA n 
1 48  SER n 
1 49  PRO n 
1 50  GLU n 
1 51  GLU n 
1 52  ALA n 
1 53  VAL n 
1 54  GLN n 
1 55  TRP n 
1 56  ALA n 
1 57  ARG n 
1 58  ASP n 
1 59  THR n 
1 60  GLY n 
1 61  LEU n 
1 62  ARG n 
1 63  PHE n 
1 64  LEU n 
1 65  ARG n 
1 66  LEU n 
1 67  ILE n 
1 68  ARG n 
1 69  GLU n 
1 70  ARG n 
1 71  TYR n 
1 72  GLU n 
1 73  ASP n 
1 74  GLY n 
1 75  VAL n 
1 76  TYR n 
1 77  THR n 
1 78  VAL n 
1 79  GLU n 
1 80  ASP n 
1 81  ILE n 
1 82  VAL n 
1 83  SER n 
1 84  ARG n 
1 85  ASP n 
1 86  ASP n 
1 87  GLY n 
1 88  ARG n 
1 89  TYR n 
1 90  TYR n 
1 91  ARG n 
1 92  HIS n 
1 93  THR n 
1 94  SER n 
1 95  THR n 
1 96  LEU n 
1 97  ARG n 
1 98  ARG n 
1 99  GLN n 
1 100 PRO n 
1 101 ASP n 
1 102 GLY n 
1 103 SER n 
1 104 TYR n 
1 105 VAL n 
1 106 GLN n 
1 107 TYR n 
1 108 SER n 
1 109 GLN n 
1 110 LEU n 
1 111 GLU n 
1 112 LEU n 
1 113 LEU n 
1 114 GLY n 
1 115 SER n 
1 116 GLY 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                   116 
_entity_src_gen.gene_src_common_name               ? 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 
'AX245_05475, DX05_04210, EN72_04240, RDF_0711, SA111_00802, TH70_0496, WA02_00660, WA04_01435, WA05_01900, WA34_15420' 
_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      'synthetic construct' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     32630 
_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 
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 
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   MET 1   -2  ?   ?   ?   A . n 
A 1 2   SER 2   -1  ?   ?   ?   A . n 
A 1 3   GLY 3   0   0   GLY GLY A . n 
A 1 4   GLU 4   1   1   GLU GLU A . n 
A 1 5   GLU 5   2   2   GLU GLU A . n 
A 1 6   GLU 6   3   3   GLU GLU A . n 
A 1 7   ARG 7   4   4   ARG ARG A . n 
A 1 8   PHE 8   5   5   PHE PHE A . n 
A 1 9   ARG 9   6   6   ARG ARG A . n 
A 1 10  ALA 10  7   7   ALA ALA A . n 
A 1 11  TYR 11  8   8   TYR TYR A . n 
A 1 12  TYR 12  9   9   TYR TYR A . n 
A 1 13  GLU 13  10  10  GLU GLU A . n 
A 1 14  ARG 14  11  11  ARG ARG A . n 
A 1 15  TYR 15  12  12  TYR TYR A . n 
A 1 16  PHE 16  13  13  PHE PHE A . n 
A 1 17  ALA 17  14  14  ALA ALA A . n 
A 1 18  ALA 18  15  15  ALA ALA A . n 
A 1 19  LEU 19  16  16  LEU LEU A . n 
A 1 20  ALA 20  17  17  ALA ALA A . n 
A 1 21  ALA 21  18  18  ALA ALA A . n 
A 1 22  ARG 22  19  19  ARG ARG A . n 
A 1 23  ASP 23  20  20  ASP ASP A . n 
A 1 24  TYR 24  21  21  TYR TYR A . n 
A 1 25  GLU 25  22  22  GLU GLU A . n 
A 1 26  THR 26  23  23  THR THR A . n 
A 1 27  LEU 27  24  24  LEU LEU A . n 
A 1 28  LEU 28  25  25  LEU LEU A . n 
A 1 29  GLU 29  26  26  GLU GLU A . n 
A 1 30  ILE 30  27  27  ILE ILE A . n 
A 1 31  LEU 31  28  28  LEU LEU A . n 
A 1 32  ARG 32  29  29  ARG ARG A . n 
A 1 33  GLU 33  30  30  GLU GLU A . n 
A 1 34  PHE 34  31  31  PHE PHE A . n 
A 1 35  GLY 35  32  32  GLY GLY A . n 
A 1 36  VAL 36  33  33  VAL VAL A . n 
A 1 37  ALA 37  34  34  ALA ALA A . n 
A 1 38  LYS 38  35  35  LYS LYS A . n 
A 1 39  LEU 39  36  36  LEU LEU A . n 
A 1 40  VAL 40  37  37  VAL VAL A . n 
A 1 41  LEU 41  38  38  LEU LEU A . n 
A 1 42  ASN 42  39  39  ASN ASN A . n 
A 1 43  GLY 43  40  40  GLY GLY A . n 
A 1 44  ARG 44  41  41  ARG ARG A . n 
A 1 45  GLU 45  42  42  GLU GLU A . n 
A 1 46  PHE 46  43  43  PHE PHE A . n 
A 1 47  ALA 47  44  44  ALA ALA A . n 
A 1 48  SER 48  45  45  SER SER A . n 
A 1 49  PRO 49  46  46  PRO PRO A . n 
A 1 50  GLU 50  47  47  GLU GLU A . n 
A 1 51  GLU 51  48  48  GLU GLU A . n 
A 1 52  ALA 52  49  49  ALA ALA A . n 
A 1 53  VAL 53  50  50  VAL VAL A . n 
A 1 54  GLN 54  51  51  GLN GLN A . n 
A 1 55  TRP 55  52  52  TRP TRP A . n 
A 1 56  ALA 56  53  53  ALA ALA A . n 
A 1 57  ARG 57  54  54  ARG ARG A . n 
A 1 58  ASP 58  55  55  ASP ASP A . n 
A 1 59  THR 59  56  56  THR THR A . n 
A 1 60  GLY 60  57  57  GLY GLY A . n 
A 1 61  LEU 61  58  58  LEU LEU A . n 
A 1 62  ARG 62  59  59  ARG ARG A . n 
A 1 63  PHE 63  60  60  PHE PHE A . n 
A 1 64  LEU 64  61  61  LEU LEU A . n 
A 1 65  ARG 65  62  62  ARG ARG A . n 
A 1 66  LEU 66  63  63  LEU LEU A . n 
A 1 67  ILE 67  64  64  ILE ILE A . n 
A 1 68  ARG 68  65  65  ARG ARG A . n 
A 1 69  GLU 69  66  66  GLU GLU A . n 
A 1 70  ARG 70  67  67  ARG ARG A . n 
A 1 71  TYR 71  68  68  TYR TYR A . n 
A 1 72  GLU 72  69  69  GLU GLU A . n 
A 1 73  ASP 73  70  70  ASP ASP A . n 
A 1 74  GLY 74  71  71  GLY GLY A . n 
A 1 75  VAL 75  72  72  VAL VAL A . n 
A 1 76  TYR 76  73  73  TYR TYR A . n 
A 1 77  THR 77  74  74  THR THR A . n 
A 1 78  VAL 78  75  75  VAL VAL A . n 
A 1 79  GLU 79  76  76  GLU GLU A . n 
A 1 80  ASP 80  77  77  ASP ASP A . n 
A 1 81  ILE 81  78  78  ILE ILE A . n 
A 1 82  VAL 82  79  79  VAL VAL A . n 
A 1 83  SER 83  80  80  SER SER A . n 
A 1 84  ARG 84  81  81  ARG ARG A . n 
A 1 85  ASP 85  82  82  ASP ASP A . n 
A 1 86  ASP 86  83  83  ASP ASP A . n 
A 1 87  GLY 87  84  84  GLY GLY A . n 
A 1 88  ARG 88  85  85  ARG ARG A . n 
A 1 89  TYR 89  86  86  TYR TYR A . n 
A 1 90  TYR 90  87  87  TYR TYR A . n 
A 1 91  ARG 91  88  88  ARG ARG A . n 
A 1 92  HIS 92  89  89  HIS HIS A . n 
A 1 93  THR 93  90  90  THR THR A . n 
A 1 94  SER 94  91  91  SER SER A . n 
A 1 95  THR 95  92  92  THR THR A . n 
A 1 96  LEU 96  93  93  LEU LEU A . n 
A 1 97  ARG 97  94  94  ARG ARG A . n 
A 1 98  ARG 98  95  95  ARG ARG A . n 
A 1 99  GLN 99  96  96  GLN GLN A . n 
A 1 100 PRO 100 97  97  PRO PRO A . n 
A 1 101 ASP 101 98  98  ASP ASP A . n 
A 1 102 GLY 102 99  99  GLY GLY A . n 
A 1 103 SER 103 100 100 SER SER A . n 
A 1 104 TYR 104 101 101 TYR TYR A . n 
A 1 105 VAL 105 102 102 VAL VAL A . n 
A 1 106 GLN 106 103 103 GLN GLN A . n 
A 1 107 TYR 107 104 104 TYR TYR A . n 
A 1 108 SER 108 105 105 SER SER A . n 
A 1 109 GLN 109 106 106 GLN GLN A . n 
A 1 110 LEU 110 107 107 LEU LEU A . n 
A 1 111 GLU 111 108 108 GLU GLU A . n 
A 1 112 LEU 112 109 109 LEU LEU A . n 
A 1 113 LEU 113 110 110 LEU LEU A . n 
A 1 114 GLY 114 111 111 GLY GLY A . n 
A 1 115 SER 115 112 112 SER SER A . n 
A 1 116 GLY 116 113 113 GLY GLY A . n 
# 
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 HOH 1  201 56 HOH HOH A . 
B 2 HOH 2  202 80 HOH HOH A . 
B 2 HOH 3  203 68 HOH HOH A . 
B 2 HOH 4  204 67 HOH HOH A . 
B 2 HOH 5  205 73 HOH HOH A . 
B 2 HOH 6  206 75 HOH HOH A . 
B 2 HOH 7  207 45 HOH HOH A . 
B 2 HOH 8  208 13 HOH HOH A . 
B 2 HOH 9  209 36 HOH HOH A . 
B 2 HOH 10 210 43 HOH HOH A . 
B 2 HOH 11 211 41 HOH HOH A . 
B 2 HOH 12 212 74 HOH HOH A . 
B 2 HOH 13 213 51 HOH HOH A . 
B 2 HOH 14 214 38 HOH HOH A . 
B 2 HOH 15 215 10 HOH HOH A . 
B 2 HOH 16 216 8  HOH HOH A . 
B 2 HOH 17 217 2  HOH HOH A . 
B 2 HOH 18 218 18 HOH HOH A . 
B 2 HOH 19 219 5  HOH HOH A . 
B 2 HOH 20 220 34 HOH HOH A . 
B 2 HOH 21 221 17 HOH HOH A . 
B 2 HOH 22 222 23 HOH HOH A . 
B 2 HOH 23 223 1  HOH HOH A . 
B 2 HOH 24 224 57 HOH HOH A . 
B 2 HOH 25 225 3  HOH HOH A . 
B 2 HOH 26 226 4  HOH HOH A . 
B 2 HOH 27 227 33 HOH HOH A . 
B 2 HOH 28 228 81 HOH HOH A . 
B 2 HOH 29 229 26 HOH HOH A . 
B 2 HOH 30 230 64 HOH HOH A . 
B 2 HOH 31 231 76 HOH HOH A . 
B 2 HOH 32 232 9  HOH HOH A . 
B 2 HOH 33 233 19 HOH HOH A . 
B 2 HOH 34 234 11 HOH HOH A . 
B 2 HOH 35 235 70 HOH HOH A . 
B 2 HOH 36 236 15 HOH HOH A . 
B 2 HOH 37 237 39 HOH HOH A . 
B 2 HOH 38 238 12 HOH HOH A . 
B 2 HOH 39 239 72 HOH HOH A . 
B 2 HOH 40 240 32 HOH HOH A . 
B 2 HOH 41 241 6  HOH HOH A . 
B 2 HOH 42 242 42 HOH HOH A . 
B 2 HOH 43 243 55 HOH HOH A . 
B 2 HOH 44 244 40 HOH HOH A . 
B 2 HOH 45 245 16 HOH HOH A . 
B 2 HOH 46 246 46 HOH HOH A . 
B 2 HOH 47 247 7  HOH HOH A . 
B 2 HOH 48 248 65 HOH HOH A . 
B 2 HOH 49 249 28 HOH HOH A . 
B 2 HOH 50 250 25 HOH HOH A . 
B 2 HOH 51 251 24 HOH HOH A . 
B 2 HOH 52 252 44 HOH HOH A . 
B 2 HOH 53 253 69 HOH HOH A . 
B 2 HOH 54 254 71 HOH HOH A . 
B 2 HOH 55 255 79 HOH HOH A . 
B 2 HOH 56 256 14 HOH HOH A . 
B 2 HOH 57 257 77 HOH HOH A . 
B 2 HOH 58 258 52 HOH HOH A . 
B 2 HOH 59 259 20 HOH HOH A . 
B 2 HOH 60 260 63 HOH HOH A . 
B 2 HOH 61 261 50 HOH HOH A . 
B 2 HOH 62 262 30 HOH HOH A . 
B 2 HOH 63 263 59 HOH HOH A . 
B 2 HOH 64 264 53 HOH HOH A . 
B 2 HOH 65 265 49 HOH HOH A . 
B 2 HOH 66 266 31 HOH HOH A . 
B 2 HOH 67 267 66 HOH HOH A . 
B 2 HOH 68 268 78 HOH HOH A . 
B 2 HOH 69 269 22 HOH HOH A . 
B 2 HOH 70 270 82 HOH HOH A . 
B 2 HOH 71 271 58 HOH HOH A . 
B 2 HOH 72 272 54 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_5207 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? .         2 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? 1.21_5207 3 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   101.322 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9DED 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     38.556 
_cell.length_a_esd                 ? 
_cell.length_b                     31.558 
_cell.length_b_esd                 ? 
_cell.length_c                     40.794 
_cell.length_c_esd                 ? 
_cell.volume                       48670.159 
_cell.volume_esd                   ? 
_cell.Z_PDB                        2 
_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                         9DED 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                4 
_symmetry.space_group_name_Hall            'P 2yb' 
_symmetry.space_group_name_H-M             'P 1 21 1' 
_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                   9DED 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             1.78 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          30.79 
_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              7.4 
_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 Bis-Tris pH 5.5, 25% (w/v) PEG 3350' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS3 2M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2022-12-20 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.97648 
_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                        'ALS BEAMLINE 5.0.3' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.97648 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   5.0.3 
_diffrn_source.pdbx_synchrotron_site       ALS 
# 
_reflns.B_iso_Wilson_estimate                          22 
_reflns.entry_id                                       9DED 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.77 
_reflns.d_resolution_low                               40 
_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                                     9440 
_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                           98.8 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                6.7 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          11.4 
_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                                ? 
_reflns.pdbx_Rpim_I_all                                0.041 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.997 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.090 
_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                                    1.77 
_reflns_shell.d_res_low                                     1.81 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           2.4 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             526 
_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                               6.8 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               0.368 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.798 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          99.3 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.831 
_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                               25.99 
_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                                 9DED 
_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                            1.77 
_refine.ls_d_res_low                             40.00 
_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                     9422 
_refine.ls_number_reflns_R_free                  935 
_refine.ls_number_reflns_R_work                  8487 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    98.43 
_refine.ls_percent_reflns_R_free                 9.92 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1933 
_refine.ls_R_factor_R_free                       0.2369 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1883 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.34 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       '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             1.1000 
_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                 27.0264 
_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                            0.2285 
_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                       1.77 
_refine_hist.d_res_low                        40.00 
_refine_hist.number_atoms_solvent             72 
_refine_hist.number_atoms_total               1026 
_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        954 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         0 
_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' ? 0.0069  ? 992  ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.7978  ? 1343 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0595  ? 136  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0123  ? 179  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 15.0507 ? 379  ? 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' 1.77 1.86  . . 138 1194 98.52 . . . . 0.2376 . . . . . . . . . . . 0.3088 
'X-RAY DIFFRACTION' 1.86 1.98  . . 126 1199 98.00 . . . . 0.2132 . . . . . . . . . . . 0.3163 
'X-RAY DIFFRACTION' 1.98 2.13  . . 131 1195 98.22 . . . . 0.1952 . . . . . . . . . . . 0.2650 
'X-RAY DIFFRACTION' 2.13 2.35  . . 134 1210 99.33 . . . . 0.1726 . . . . . . . . . . . 0.2408 
'X-RAY DIFFRACTION' 2.35 2.69  . . 134 1230 99.20 . . . . 0.1875 . . . . . . . . . . . 0.2379 
'X-RAY DIFFRACTION' 2.69 3.39  . . 131 1212 98.10 . . . . 0.1922 . . . . . . . . . . . 0.2309 
'X-RAY DIFFRACTION' 3.39 40.00 . . 141 1247 97.82 . . . . 0.1790 . . . . . . . . . . . 0.2100 
# 
_struct.entry_id                     9DED 
_struct.title                        'Designed protein n8' 
_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        9DED 
_struct_keywords.text            'NTF2, organophosphate reactive protein, DE NOVO PROTEIN' 
_struct_keywords.pdbx_keywords   'DE NOVO PROTEIN' 
# 
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 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    PDB 
_struct_ref.db_code                    9DED 
_struct_ref.pdbx_db_accession          9DED 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   ? 
_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              9DED 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 116 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             9DED 
_struct_ref_seq.db_align_beg                  -2 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  113 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       -2 
_struct_ref_seq.pdbx_auth_seq_align_end       113 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 GLY A 3  ? ALA A 21 ? GLY A 0  ALA A 18 1 ? 19 
HELX_P HELX_P2 AA2 ASP A 23 ? GLY A 35 ? ASP A 20 GLY A 32 1 ? 13 
HELX_P HELX_P3 AA3 SER A 48 ? GLY A 60 ? SER A 45 GLY A 57 1 ? 13 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   6 
_struct_sheet.details          ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? parallel      
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? 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 ARG A 44  ? PHE A 46  ? ARG A 41  PHE A 43  
AA1 2 VAL A 36  ? LEU A 41  ? VAL A 33  LEU A 38  
AA1 3 TYR A 104 ? GLY A 114 ? TYR A 101 GLY A 111 
AA1 4 TYR A 89  ? ARG A 98  ? TYR A 86  ARG A 95  
AA1 5 VAL A 75  ? SER A 83  ? VAL A 72  SER A 80  
AA1 6 ARG A 62  ? GLU A 72  ? ARG A 59  GLU A 69  
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 O PHE A 46  ? O PHE A 43  N LEU A 39  ? N LEU A 36  
AA1 2 3 N ALA A 37  ? N ALA A 34  O TYR A 104 ? O TYR A 101 
AA1 3 4 O LEU A 113 ? O LEU A 110 N TYR A 89  ? N TYR A 86  
AA1 4 5 O HIS A 92  ? O HIS A 89  N ASP A 80  ? N ASP A 77  
AA1 5 6 O ILE A 81  ? O ILE A 78  N ARG A 65  ? N ARG A 62  
# 
_pdbx_entry_details.entry_id                   9DED 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     ? 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    ASP 
_pdbx_validate_torsion.auth_asym_id    A 
_pdbx_validate_torsion.auth_seq_id     70 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -51.79 
_pdbx_validate_torsion.psi             106.38 
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1 x,y,z       
2 -x,y+1/2,-z 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 A MET -2 ? A MET 1 
2 1 Y 1 A SER -1 ? A SER 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 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
GLN N    N N N 74  
GLN CA   C N S 75  
GLN C    C N N 76  
GLN O    O N N 77  
GLN CB   C N N 78  
GLN CG   C N N 79  
GLN CD   C N N 80  
GLN OE1  O N N 81  
GLN NE2  N N N 82  
GLN OXT  O N N 83  
GLN H    H N N 84  
GLN H2   H N N 85  
GLN HA   H N N 86  
GLN HB2  H N N 87  
GLN HB3  H N N 88  
GLN HG2  H N N 89  
GLN HG3  H N N 90  
GLN HE21 H N N 91  
GLN HE22 H N N 92  
GLN HXT  H N N 93  
GLU N    N N N 94  
GLU CA   C N S 95  
GLU C    C N N 96  
GLU O    O N N 97  
GLU CB   C N N 98  
GLU CG   C N N 99  
GLU CD   C N N 100 
GLU OE1  O N N 101 
GLU OE2  O N N 102 
GLU OXT  O N N 103 
GLU H    H N N 104 
GLU H2   H N N 105 
GLU HA   H N N 106 
GLU HB2  H N N 107 
GLU HB3  H N N 108 
GLU HG2  H N N 109 
GLU HG3  H N N 110 
GLU HE2  H N N 111 
GLU HXT  H N N 112 
GLY N    N N N 113 
GLY CA   C N N 114 
GLY C    C N N 115 
GLY O    O N N 116 
GLY OXT  O N N 117 
GLY H    H N N 118 
GLY H2   H N N 119 
GLY HA2  H N N 120 
GLY HA3  H N N 121 
GLY HXT  H N N 122 
HIS N    N N N 123 
HIS CA   C N S 124 
HIS C    C N N 125 
HIS O    O N N 126 
HIS CB   C N N 127 
HIS CG   C Y N 128 
HIS ND1  N Y N 129 
HIS CD2  C Y N 130 
HIS CE1  C Y N 131 
HIS NE2  N Y N 132 
HIS OXT  O N N 133 
HIS H    H N N 134 
HIS H2   H N N 135 
HIS HA   H N N 136 
HIS HB2  H N N 137 
HIS HB3  H N N 138 
HIS HD1  H N N 139 
HIS HD2  H N N 140 
HIS HE1  H N N 141 
HIS HE2  H N N 142 
HIS HXT  H N N 143 
HOH O    O N N 144 
HOH H1   H N N 145 
HOH H2   H N N 146 
ILE N    N N N 147 
ILE CA   C N S 148 
ILE C    C N N 149 
ILE O    O N N 150 
ILE CB   C N S 151 
ILE CG1  C N N 152 
ILE CG2  C N N 153 
ILE CD1  C N N 154 
ILE OXT  O N N 155 
ILE H    H N N 156 
ILE H2   H N N 157 
ILE HA   H N N 158 
ILE HB   H N N 159 
ILE HG12 H N N 160 
ILE HG13 H N N 161 
ILE HG21 H N N 162 
ILE HG22 H N N 163 
ILE HG23 H N N 164 
ILE HD11 H N N 165 
ILE HD12 H N N 166 
ILE HD13 H N N 167 
ILE HXT  H N N 168 
LEU N    N N N 169 
LEU CA   C N S 170 
LEU C    C N N 171 
LEU O    O N N 172 
LEU CB   C N N 173 
LEU CG   C N N 174 
LEU CD1  C N N 175 
LEU CD2  C N N 176 
LEU OXT  O N N 177 
LEU H    H N N 178 
LEU H2   H N N 179 
LEU HA   H N N 180 
LEU HB2  H N N 181 
LEU HB3  H N N 182 
LEU HG   H N N 183 
LEU HD11 H N N 184 
LEU HD12 H N N 185 
LEU HD13 H N N 186 
LEU HD21 H N N 187 
LEU HD22 H N N 188 
LEU HD23 H N N 189 
LEU HXT  H N N 190 
LYS N    N N N 191 
LYS CA   C N S 192 
LYS C    C N N 193 
LYS O    O N N 194 
LYS CB   C N N 195 
LYS CG   C N N 196 
LYS CD   C N N 197 
LYS CE   C N N 198 
LYS NZ   N N N 199 
LYS OXT  O N N 200 
LYS H    H N N 201 
LYS H2   H N N 202 
LYS HA   H N N 203 
LYS HB2  H N N 204 
LYS HB3  H N N 205 
LYS HG2  H N N 206 
LYS HG3  H N N 207 
LYS HD2  H N N 208 
LYS HD3  H N N 209 
LYS HE2  H N N 210 
LYS HE3  H N N 211 
LYS HZ1  H N N 212 
LYS HZ2  H N N 213 
LYS HZ3  H N N 214 
LYS HXT  H N N 215 
MET N    N N N 216 
MET CA   C N S 217 
MET C    C N N 218 
MET O    O N N 219 
MET CB   C N N 220 
MET CG   C N N 221 
MET SD   S N N 222 
MET CE   C N N 223 
MET OXT  O N N 224 
MET H    H N N 225 
MET H2   H N N 226 
MET HA   H N N 227 
MET HB2  H N N 228 
MET HB3  H N N 229 
MET HG2  H N N 230 
MET HG3  H N N 231 
MET HE1  H N N 232 
MET HE2  H N N 233 
MET HE3  H N N 234 
MET HXT  H N N 235 
PHE N    N N N 236 
PHE CA   C N S 237 
PHE C    C N N 238 
PHE O    O N N 239 
PHE CB   C N N 240 
PHE CG   C Y N 241 
PHE CD1  C Y N 242 
PHE CD2  C Y N 243 
PHE CE1  C Y N 244 
PHE CE2  C Y N 245 
PHE CZ   C Y N 246 
PHE OXT  O N N 247 
PHE H    H N N 248 
PHE H2   H N N 249 
PHE HA   H N N 250 
PHE HB2  H N N 251 
PHE HB3  H N N 252 
PHE HD1  H N N 253 
PHE HD2  H N N 254 
PHE HE1  H N N 255 
PHE HE2  H N N 256 
PHE HZ   H N N 257 
PHE HXT  H N N 258 
PRO N    N N N 259 
PRO CA   C N S 260 
PRO C    C N N 261 
PRO O    O N N 262 
PRO CB   C N N 263 
PRO CG   C N N 264 
PRO CD   C N N 265 
PRO OXT  O N N 266 
PRO H    H N N 267 
PRO HA   H N N 268 
PRO HB2  H N N 269 
PRO HB3  H N N 270 
PRO HG2  H N N 271 
PRO HG3  H N N 272 
PRO HD2  H N N 273 
PRO HD3  H N N 274 
PRO HXT  H N N 275 
SER N    N N N 276 
SER CA   C N S 277 
SER C    C N N 278 
SER O    O N N 279 
SER CB   C N N 280 
SER OG   O N N 281 
SER OXT  O N N 282 
SER H    H N N 283 
SER H2   H N N 284 
SER HA   H N N 285 
SER HB2  H N N 286 
SER HB3  H N N 287 
SER HG   H N N 288 
SER HXT  H N N 289 
THR N    N N N 290 
THR CA   C N S 291 
THR C    C N N 292 
THR O    O N N 293 
THR CB   C N R 294 
THR OG1  O N N 295 
THR CG2  C N N 296 
THR OXT  O N N 297 
THR H    H N N 298 
THR H2   H N N 299 
THR HA   H N N 300 
THR HB   H N N 301 
THR HG1  H N N 302 
THR HG21 H N N 303 
THR HG22 H N N 304 
THR HG23 H N N 305 
THR HXT  H N N 306 
TRP N    N N N 307 
TRP CA   C N S 308 
TRP C    C N N 309 
TRP O    O N N 310 
TRP CB   C N N 311 
TRP CG   C Y N 312 
TRP CD1  C Y N 313 
TRP CD2  C Y N 314 
TRP NE1  N Y N 315 
TRP CE2  C Y N 316 
TRP CE3  C Y N 317 
TRP CZ2  C Y N 318 
TRP CZ3  C Y N 319 
TRP CH2  C Y N 320 
TRP OXT  O N N 321 
TRP H    H N N 322 
TRP H2   H N N 323 
TRP HA   H N N 324 
TRP HB2  H N N 325 
TRP HB3  H N N 326 
TRP HD1  H N N 327 
TRP HE1  H N N 328 
TRP HE3  H N N 329 
TRP HZ2  H N N 330 
TRP HZ3  H N N 331 
TRP HH2  H N N 332 
TRP HXT  H N N 333 
TYR N    N N N 334 
TYR CA   C N S 335 
TYR C    C N N 336 
TYR O    O N N 337 
TYR CB   C N N 338 
TYR CG   C Y N 339 
TYR CD1  C Y N 340 
TYR CD2  C Y N 341 
TYR CE1  C Y N 342 
TYR CE2  C Y N 343 
TYR CZ   C Y N 344 
TYR OH   O N N 345 
TYR OXT  O N N 346 
TYR H    H N N 347 
TYR H2   H N N 348 
TYR HA   H N N 349 
TYR HB2  H N N 350 
TYR HB3  H N N 351 
TYR HD1  H N N 352 
TYR HD2  H N N 353 
TYR HE1  H N N 354 
TYR HE2  H N N 355 
TYR HH   H N N 356 
TYR HXT  H N N 357 
VAL N    N N N 358 
VAL CA   C N S 359 
VAL C    C N N 360 
VAL O    O N N 361 
VAL CB   C N N 362 
VAL CG1  C N N 363 
VAL CG2  C N N 364 
VAL OXT  O N N 365 
VAL H    H N N 366 
VAL H2   H N N 367 
VAL HA   H N N 368 
VAL HB   H N N 369 
VAL HG11 H N N 370 
VAL HG12 H N N 371 
VAL HG13 H N N 372 
VAL HG21 H N N 373 
VAL HG22 H N N 374 
VAL HG23 H N N 375 
VAL HXT  H N N 376 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
GLN N   CA   sing N N 70  
GLN N   H    sing N N 71  
GLN N   H2   sing N N 72  
GLN CA  C    sing N N 73  
GLN CA  CB   sing N N 74  
GLN CA  HA   sing N N 75  
GLN C   O    doub N N 76  
GLN C   OXT  sing N N 77  
GLN CB  CG   sing N N 78  
GLN CB  HB2  sing N N 79  
GLN CB  HB3  sing N N 80  
GLN CG  CD   sing N N 81  
GLN CG  HG2  sing N N 82  
GLN CG  HG3  sing N N 83  
GLN CD  OE1  doub N N 84  
GLN CD  NE2  sing N N 85  
GLN NE2 HE21 sing N N 86  
GLN NE2 HE22 sing N N 87  
GLN OXT HXT  sing N N 88  
GLU N   CA   sing N N 89  
GLU N   H    sing N N 90  
GLU N   H2   sing N N 91  
GLU CA  C    sing N N 92  
GLU CA  CB   sing N N 93  
GLU CA  HA   sing N N 94  
GLU C   O    doub N N 95  
GLU C   OXT  sing N N 96  
GLU CB  CG   sing N N 97  
GLU CB  HB2  sing N N 98  
GLU CB  HB3  sing N N 99  
GLU CG  CD   sing N N 100 
GLU CG  HG2  sing N N 101 
GLU CG  HG3  sing N N 102 
GLU CD  OE1  doub N N 103 
GLU CD  OE2  sing N N 104 
GLU OE2 HE2  sing N N 105 
GLU OXT HXT  sing N N 106 
GLY N   CA   sing N N 107 
GLY N   H    sing N N 108 
GLY N   H2   sing N N 109 
GLY CA  C    sing N N 110 
GLY CA  HA2  sing N N 111 
GLY CA  HA3  sing N N 112 
GLY C   O    doub N N 113 
GLY C   OXT  sing N N 114 
GLY OXT HXT  sing N N 115 
HIS N   CA   sing N N 116 
HIS N   H    sing N N 117 
HIS N   H2   sing N N 118 
HIS CA  C    sing N N 119 
HIS CA  CB   sing N N 120 
HIS CA  HA   sing N N 121 
HIS C   O    doub N N 122 
HIS C   OXT  sing N N 123 
HIS CB  CG   sing N N 124 
HIS CB  HB2  sing N N 125 
HIS CB  HB3  sing N N 126 
HIS CG  ND1  sing Y N 127 
HIS CG  CD2  doub Y N 128 
HIS ND1 CE1  doub Y N 129 
HIS ND1 HD1  sing N N 130 
HIS CD2 NE2  sing Y N 131 
HIS CD2 HD2  sing N N 132 
HIS CE1 NE2  sing Y N 133 
HIS CE1 HE1  sing N N 134 
HIS NE2 HE2  sing N N 135 
HIS OXT HXT  sing N N 136 
HOH O   H1   sing N N 137 
HOH O   H2   sing N N 138 
ILE N   CA   sing N N 139 
ILE N   H    sing N N 140 
ILE N   H2   sing N N 141 
ILE CA  C    sing N N 142 
ILE CA  CB   sing N N 143 
ILE CA  HA   sing N N 144 
ILE C   O    doub N N 145 
ILE C   OXT  sing N N 146 
ILE CB  CG1  sing N N 147 
ILE CB  CG2  sing N N 148 
ILE CB  HB   sing N N 149 
ILE CG1 CD1  sing N N 150 
ILE CG1 HG12 sing N N 151 
ILE CG1 HG13 sing N N 152 
ILE CG2 HG21 sing N N 153 
ILE CG2 HG22 sing N N 154 
ILE CG2 HG23 sing N N 155 
ILE CD1 HD11 sing N N 156 
ILE CD1 HD12 sing N N 157 
ILE CD1 HD13 sing N N 158 
ILE OXT HXT  sing N N 159 
LEU N   CA   sing N N 160 
LEU N   H    sing N N 161 
LEU N   H2   sing N N 162 
LEU CA  C    sing N N 163 
LEU CA  CB   sing N N 164 
LEU CA  HA   sing N N 165 
LEU C   O    doub N N 166 
LEU C   OXT  sing N N 167 
LEU CB  CG   sing N N 168 
LEU CB  HB2  sing N N 169 
LEU CB  HB3  sing N N 170 
LEU CG  CD1  sing N N 171 
LEU CG  CD2  sing N N 172 
LEU CG  HG   sing N N 173 
LEU CD1 HD11 sing N N 174 
LEU CD1 HD12 sing N N 175 
LEU CD1 HD13 sing N N 176 
LEU CD2 HD21 sing N N 177 
LEU CD2 HD22 sing N N 178 
LEU CD2 HD23 sing N N 179 
LEU OXT HXT  sing N N 180 
LYS N   CA   sing N N 181 
LYS N   H    sing N N 182 
LYS N   H2   sing N N 183 
LYS CA  C    sing N N 184 
LYS CA  CB   sing N N 185 
LYS CA  HA   sing N N 186 
LYS C   O    doub N N 187 
LYS C   OXT  sing N N 188 
LYS CB  CG   sing N N 189 
LYS CB  HB2  sing N N 190 
LYS CB  HB3  sing N N 191 
LYS CG  CD   sing N N 192 
LYS CG  HG2  sing N N 193 
LYS CG  HG3  sing N N 194 
LYS CD  CE   sing N N 195 
LYS CD  HD2  sing N N 196 
LYS CD  HD3  sing N N 197 
LYS CE  NZ   sing N N 198 
LYS CE  HE2  sing N N 199 
LYS CE  HE3  sing N N 200 
LYS NZ  HZ1  sing N N 201 
LYS NZ  HZ2  sing N N 202 
LYS NZ  HZ3  sing N N 203 
LYS OXT HXT  sing N N 204 
MET N   CA   sing N N 205 
MET N   H    sing N N 206 
MET N   H2   sing N N 207 
MET CA  C    sing N N 208 
MET CA  CB   sing N N 209 
MET CA  HA   sing N N 210 
MET C   O    doub N N 211 
MET C   OXT  sing N N 212 
MET CB  CG   sing N N 213 
MET CB  HB2  sing N N 214 
MET CB  HB3  sing N N 215 
MET CG  SD   sing N N 216 
MET CG  HG2  sing N N 217 
MET CG  HG3  sing N N 218 
MET SD  CE   sing N N 219 
MET CE  HE1  sing N N 220 
MET CE  HE2  sing N N 221 
MET CE  HE3  sing N N 222 
MET OXT HXT  sing N N 223 
PHE N   CA   sing N N 224 
PHE N   H    sing N N 225 
PHE N   H2   sing N N 226 
PHE CA  C    sing N N 227 
PHE CA  CB   sing N N 228 
PHE CA  HA   sing N N 229 
PHE C   O    doub N N 230 
PHE C   OXT  sing N N 231 
PHE CB  CG   sing N N 232 
PHE CB  HB2  sing N N 233 
PHE CB  HB3  sing N N 234 
PHE CG  CD1  doub Y N 235 
PHE CG  CD2  sing Y N 236 
PHE CD1 CE1  sing Y N 237 
PHE CD1 HD1  sing N N 238 
PHE CD2 CE2  doub Y N 239 
PHE CD2 HD2  sing N N 240 
PHE CE1 CZ   doub Y N 241 
PHE CE1 HE1  sing N N 242 
PHE CE2 CZ   sing Y N 243 
PHE CE2 HE2  sing N N 244 
PHE CZ  HZ   sing N N 245 
PHE OXT HXT  sing N N 246 
PRO N   CA   sing N N 247 
PRO N   CD   sing N N 248 
PRO N   H    sing N N 249 
PRO CA  C    sing N N 250 
PRO CA  CB   sing N N 251 
PRO CA  HA   sing N N 252 
PRO C   O    doub N N 253 
PRO C   OXT  sing N N 254 
PRO CB  CG   sing N N 255 
PRO CB  HB2  sing N N 256 
PRO CB  HB3  sing N N 257 
PRO CG  CD   sing N N 258 
PRO CG  HG2  sing N N 259 
PRO CG  HG3  sing N N 260 
PRO CD  HD2  sing N N 261 
PRO CD  HD3  sing N N 262 
PRO OXT HXT  sing N N 263 
SER N   CA   sing N N 264 
SER N   H    sing N N 265 
SER N   H2   sing N N 266 
SER CA  C    sing N N 267 
SER CA  CB   sing N N 268 
SER CA  HA   sing N N 269 
SER C   O    doub N N 270 
SER C   OXT  sing N N 271 
SER CB  OG   sing N N 272 
SER CB  HB2  sing N N 273 
SER CB  HB3  sing N N 274 
SER OG  HG   sing N N 275 
SER OXT HXT  sing N N 276 
THR N   CA   sing N N 277 
THR N   H    sing N N 278 
THR N   H2   sing N N 279 
THR CA  C    sing N N 280 
THR CA  CB   sing N N 281 
THR CA  HA   sing N N 282 
THR C   O    doub N N 283 
THR C   OXT  sing N N 284 
THR CB  OG1  sing N N 285 
THR CB  CG2  sing N N 286 
THR CB  HB   sing N N 287 
THR OG1 HG1  sing N N 288 
THR CG2 HG21 sing N N 289 
THR CG2 HG22 sing N N 290 
THR CG2 HG23 sing N N 291 
THR OXT HXT  sing N N 292 
TRP N   CA   sing N N 293 
TRP N   H    sing N N 294 
TRP N   H2   sing N N 295 
TRP CA  C    sing N N 296 
TRP CA  CB   sing N N 297 
TRP CA  HA   sing N N 298 
TRP C   O    doub N N 299 
TRP C   OXT  sing N N 300 
TRP CB  CG   sing N N 301 
TRP CB  HB2  sing N N 302 
TRP CB  HB3  sing N N 303 
TRP CG  CD1  doub Y N 304 
TRP CG  CD2  sing Y N 305 
TRP CD1 NE1  sing Y N 306 
TRP CD1 HD1  sing N N 307 
TRP CD2 CE2  doub Y N 308 
TRP CD2 CE3  sing Y N 309 
TRP NE1 CE2  sing Y N 310 
TRP NE1 HE1  sing N N 311 
TRP CE2 CZ2  sing Y N 312 
TRP CE3 CZ3  doub Y N 313 
TRP CE3 HE3  sing N N 314 
TRP CZ2 CH2  doub Y N 315 
TRP CZ2 HZ2  sing N N 316 
TRP CZ3 CH2  sing Y N 317 
TRP CZ3 HZ3  sing N N 318 
TRP CH2 HH2  sing N N 319 
TRP OXT HXT  sing N N 320 
TYR N   CA   sing N N 321 
TYR N   H    sing N N 322 
TYR N   H2   sing N N 323 
TYR CA  C    sing N N 324 
TYR CA  CB   sing N N 325 
TYR CA  HA   sing N N 326 
TYR C   O    doub N N 327 
TYR C   OXT  sing N N 328 
TYR CB  CG   sing N N 329 
TYR CB  HB2  sing N N 330 
TYR CB  HB3  sing N N 331 
TYR CG  CD1  doub Y N 332 
TYR CG  CD2  sing Y N 333 
TYR CD1 CE1  sing Y N 334 
TYR CD1 HD1  sing N N 335 
TYR CD2 CE2  doub Y N 336 
TYR CD2 HD2  sing N N 337 
TYR CE1 CZ   doub Y N 338 
TYR CE1 HE1  sing N N 339 
TYR CE2 CZ   sing Y N 340 
TYR CE2 HE2  sing N N 341 
TYR CZ  OH   sing N N 342 
TYR OH  HH   sing N N 343 
TYR OXT HXT  sing N N 344 
VAL N   CA   sing N N 345 
VAL N   H    sing N N 346 
VAL N   H2   sing N N 347 
VAL CA  C    sing N N 348 
VAL CA  CB   sing N N 349 
VAL CA  HA   sing N N 350 
VAL C   O    doub N N 351 
VAL C   OXT  sing N N 352 
VAL CB  CG1  sing N N 353 
VAL CB  CG2  sing N N 354 
VAL CB  HB   sing N N 355 
VAL CG1 HG11 sing N N 356 
VAL CG1 HG12 sing N N 357 
VAL CG1 HG13 sing N N 358 
VAL CG2 HG21 sing N N 359 
VAL CG2 HG22 sing N N 360 
VAL CG2 HG23 sing N N 361 
VAL OXT HXT  sing N N 362 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'Howard Hughes Medical Institute (HHMI)'                                                   'United States' ? 1 
'Other private'                                                                            ?               ? 2 
'National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)' 'United States' ? 3 
'Defense Advanced Research Projects Agency (DARPA)'                                        'United States' ? 4 
'Defense Threat Reduction Agency (DTRA)'                                                   'United States' ? 5 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'in silico model' 
_pdbx_initial_refinement_model.source_name      AlphaFold 
_pdbx_initial_refinement_model.accession_code   ? 
_pdbx_initial_refinement_model.details          ? 
# 
_space_group.name_H-M_alt     'P 1 21 1' 
_space_group.name_Hall        'P 2yb' 
_space_group.IT_number        4 
_space_group.crystal_system   monoclinic 
_space_group.id               1 
# 
_atom_sites.entry_id                    9DED 
_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]   0.025936 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.005193 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.031688 
_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]   0.025000 
_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.
;
? 
O1- ? ? 5.12366 3.84317 ? ? 3.49406  27.47979 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N   . GLY A 1 3   ? -6.67600  -20.19300 11.22300 1.000 61.87133 ?  0   GLY A N   1 
ATOM   2    C CA  . GLY A 1 3   ? -5.81300  -19.64800 12.25700 1.000 64.01262 ?  0   GLY A CA  1 
ATOM   3    C C   . GLY A 1 3   ? -4.62100  -18.89600 11.69600 1.000 62.22888 ?  0   GLY A C   1 
ATOM   4    O O   . GLY A 1 3   ? -3.47400  -19.20500 12.02400 1.000 56.07179 ?  0   GLY A O   1 
ATOM   5    N N   . GLU A 1 4   ? -4.90100  -17.90300 10.84400 1.000 56.85252 ?  1   GLU A N   1 
ATOM   6    C CA  . GLU A 1 4   ? -3.83100  -17.13100 10.21700 1.000 55.75904 ?  1   GLU A CA  1 
ATOM   7    C C   . GLU A 1 4   ? -3.03100  -16.33400 11.24300 1.000 52.34174 ?  1   GLU A C   1 
ATOM   8    O O   . GLU A 1 4   ? -1.84900  -16.05000 11.01600 1.000 46.38431 ?  1   GLU A O   1 
ATOM   9    C CB  . GLU A 1 4   ? -4.41100  -16.19600 9.14900  1.000 55.83821 ?  1   GLU A CB  1 
ATOM   10   C CG  . GLU A 1 4   ? -3.36200  -15.54400 8.24700  1.000 54.85863 ?  1   GLU A CG  1 
ATOM   11   C CD  . GLU A 1 4   ? -3.92700  -14.44700 7.34300  1.000 57.34569 ?  1   GLU A CD  1 
ATOM   12   O OE1 . GLU A 1 4   ? -5.03800  -13.94000 7.62300  1.000 48.45479 ?  1   GLU A OE1 1 
ATOM   13   O OE2 . GLU A 1 4   ? -3.24800  -14.09000 6.35200  1.000 44.90592 -1 1   GLU A OE2 1 
ATOM   14   N N   . GLU A 1 5   ? -3.64400  -15.97100 12.37300 1.000 53.00431 ?  2   GLU A N   1 
ATOM   15   C CA  . GLU A 1 5   ? -2.92600  -15.19700 13.38200 1.000 52.60951 ?  2   GLU A CA  1 
ATOM   16   C C   . GLU A 1 5   ? -1.88200  -16.05100 14.09100 1.000 50.09976 ?  2   GLU A C   1 
ATOM   17   O O   . GLU A 1 5   ? -0.77300  -15.58100 14.37500 1.000 45.83148 ?  2   GLU A O   1 
ATOM   18   C CB  . GLU A 1 5   ? -3.90800  -14.59600 14.38700 1.000 50.74183 ?  2   GLU A CB  1 
ATOM   19   C CG  . GLU A 1 5   ? -3.23600  -13.89800 15.55700 1.000 54.39606 ?  2   GLU A CG  1 
ATOM   20   C CD  . GLU A 1 5   ? -4.18400  -12.99700 16.33000 1.000 55.88343 ?  2   GLU A CD  1 
ATOM   21   O OE1 . GLU A 1 5   ? -5.41100  -13.11700 16.13400 1.000 64.84819 ?  2   GLU A OE1 1 
ATOM   22   O OE2 . GLU A 1 5   ? -3.70400  -12.16100 17.12600 1.000 60.86676 -1 2   GLU A OE2 1 
ATOM   23   N N   . GLU A 1 6   ? -2.22000  -17.30800 14.38700 1.000 54.34563 ?  3   GLU A N   1 
ATOM   24   C CA  . GLU A 1 6   ? -1.23900  -18.22000 14.96400 1.000 48.36583 ?  3   GLU A CA  1 
ATOM   25   C C   . GLU A 1 6   ? -0.07300  -18.45400 14.01200 1.000 45.53275 ?  3   GLU A C   1 
ATOM   26   O O   . GLU A 1 6   ? 1.08900   -18.44700 14.43300 1.000 38.17643 ?  3   GLU A O   1 
ATOM   27   C CB  . GLU A 1 6   ? -1.91500  -19.53900 15.32200 1.000 56.71601 ?  3   GLU A CB  1 
ATOM   28   C CG  . GLU A 1 6   ? -2.07000  -19.77300 16.80900 1.000 65.58975 ?  3   GLU A CG  1 
ATOM   29   C CD  . GLU A 1 6   ? -0.82800  -20.38500 17.42400 1.000 78.16709 ?  3   GLU A CD  1 
ATOM   30   O OE1 . GLU A 1 6   ? -0.04400  -21.01000 16.67700 1.000 77.03348 ?  3   GLU A OE1 1 
ATOM   31   O OE2 . GLU A 1 6   ? -0.63400  -20.24500 18.65200 1.000 80.64964 -1 3   GLU A OE2 1 
ATOM   32   N N   . ARG A 1 7   ? -0.36900  -18.64700 12.72300 1.000 44.69222 ?  4   ARG A N   1 
ATOM   33   C CA  . ARG A 1 7   ? 0.67800   -18.82800 11.72200 1.000 40.75952 ?  4   ARG A CA  1 
ATOM   34   C C   . ARG A 1 7   ? 1.60200   -17.61500 11.66600 1.000 40.43487 ?  4   ARG A C   1 
ATOM   35   O O   . ARG A 1 7   ? 2.82600   -17.76000 11.55600 1.000 34.45271 ?  4   ARG A O   1 
ATOM   36   C CB  . ARG A 1 7   ? 0.03000   -19.09800 10.35900 1.000 38.03117 ?  4   ARG A CB  1 
ATOM   37   C CG  . ARG A 1 7   ? 0.97900   -19.26900 9.17200  1.000 42.47447 ?  4   ARG A CG  1 
ATOM   38   C CD  . ARG A 1 7   ? 0.22500   -19.80500 7.93500  1.000 43.63925 ?  4   ARG A CD  1 
ATOM   39   N NE  . ARG A 1 7   ? 0.93900   -19.54700 6.68600  1.000 51.11667 ?  4   ARG A NE  1 
ATOM   40   C CZ  . ARG A 1 7   ? 0.58200   -18.63400 5.78900  1.000 45.66775 ?  4   ARG A CZ  1 
ATOM   41   N NH1 . ARG A 1 7   ? -0.51800  -17.91200 5.93700  1.000 44.05431 ?  4   ARG A NH1 1 
ATOM   42   N NH2 . ARG A 1 7   ? 1.34500   -18.44300 4.71400  1.000 36.02265 ?  4   ARG A NH2 1 
ATOM   43   N N   . PHE A 1 8   ? 1.02900   -16.41100 11.75400 1.000 38.94261 ?  5   PHE A N   1 
ATOM   44   C CA  . PHE A 1 8   ? 1.82600   -15.18800 11.76600 1.000 37.09303 ?  5   PHE A CA  1 
ATOM   45   C C   . PHE A 1 8   ? 2.80200   -15.17500 12.93800 1.000 32.12600 ?  5   PHE A C   1 
ATOM   46   O O   . PHE A 1 8   ? 3.99400   -14.89000 12.76600 1.000 30.69294 ?  5   PHE A O   1 
ATOM   47   C CB  . PHE A 1 8   ? 0.90400   -13.96400 11.83700 1.000 39.61154 ?  5   PHE A CB  1 
ATOM   48   C CG  . PHE A 1 8   ? 0.43000   -13.45300 10.49400 1.000 42.47866 ?  5   PHE A CG  1 
ATOM   49   C CD1 . PHE A 1 8   ? 1.31700   -13.26000 9.44900  1.000 41.04210 ?  5   PHE A CD1 1 
ATOM   50   C CD2 . PHE A 1 8   ? -0.91100  -13.13600 10.29400 1.000 46.63870 ?  5   PHE A CD2 1 
ATOM   51   C CE1 . PHE A 1 8   ? 0.87400   -12.77300 8.22200  1.000 34.17071 ?  5   PHE A CE1 1 
ATOM   52   C CE2 . PHE A 1 8   ? -1.36100  -12.65000 9.07300  1.000 43.90434 ?  5   PHE A CE2 1 
ATOM   53   C CZ  . PHE A 1 8   ? -0.46800  -12.47000 8.03800  1.000 40.14696 ?  5   PHE A CZ  1 
ATOM   54   N N   . ARG A 1 9   ? 2.31300   -15.47100 14.14600 1.000 35.95516 ?  6   ARG A N   1 
ATOM   55   C CA  . ARG A 1 9   ? 3.15000   -15.31200 15.33500 1.000 30.84435 ?  6   ARG A CA  1 
ATOM   56   C C   . ARG A 1 9   ? 4.25500   -16.35700 15.38800 1.000 30.69400 ?  6   ARG A C   1 
ATOM   57   O O   . ARG A 1 9   ? 5.38200   -16.05200 15.79400 1.000 30.13052 ?  6   ARG A O   1 
ATOM   58   C CB  . ARG A 1 9   ? 2.29800   -15.38100 16.60100 1.000 37.73497 ?  6   ARG A CB  1 
ATOM   59   C CG  . ARG A 1 9   ? 1.18500   -14.37000 16.63200 1.000 44.47075 ?  6   ARG A CG  1 
ATOM   60   C CD  . ARG A 1 9   ? 0.58200   -14.20400 18.01600 1.000 52.90820 ?  6   ARG A CD  1 
ATOM   61   N NE  . ARG A 1 9   ? -0.52900  -13.26600 17.94800 1.000 55.81923 ?  6   ARG A NE  1 
ATOM   62   C CZ  . ARG A 1 9   ? -0.39200  -11.94700 17.91800 1.000 56.12449 ?  6   ARG A CZ  1 
ATOM   63   N NH1 . ARG A 1 9   ? 0.79200   -11.37000 18.06700 1.000 58.86209 ?  6   ARG A NH1 1 
ATOM   64   N NH2 . ARG A 1 9   ? -1.46700  -11.18900 17.72100 1.000 55.13370 ?  6   ARG A NH2 1 
ATOM   65   N N   . ALA A 1 10  ? 3.94900   -17.59800 15.00000 1.000 30.48273 ?  7   ALA A N   1 
ATOM   66   C CA  . ALA A 1 10  ? 4.97900   -18.62900 14.97300 1.000 30.29225 ?  7   ALA A CA  1 
ATOM   67   C C   . ALA A 1 10  ? 6.04200   -18.32400 13.92600 1.000 28.37168 ?  7   ALA A C   1 
ATOM   68   O O   . ALA A 1 10  ? 7.21400   -18.63800 14.12500 1.000 23.55642 ?  7   ALA A O   1 
ATOM   69   C CB  . ALA A 1 10  ? 4.34900   -19.99600 14.71200 1.000 33.05454 ?  7   ALA A CB  1 
ATOM   70   N N   . TYR A 1 11  ? 5.65700   -17.71900 12.80500 1.000 27.78454 ?  8   TYR A N   1 
ATOM   71   C CA  A TYR A 1 11  ? 6.68000   -17.35800 11.83600 0.415 29.14470 ?  8   TYR A CA  1 
ATOM   72   C CA  B TYR A 1 11  ? 6.62300   -17.29600 11.79200 0.585 29.20560 ?  8   TYR A CA  1 
ATOM   73   C C   . TYR A 1 11  ? 7.52500   -16.18400 12.32100 1.000 28.23894 ?  8   TYR A C   1 
ATOM   74   O O   . TYR A 1 11  ? 8.72900   -16.15100 12.03600 1.000 27.65848 ?  8   TYR A O   1 
ATOM   75   C CB  A TYR A 1 11  ? 6.04800   -17.07500 10.47200 0.415 30.75653 ?  8   TYR A CB  1 
ATOM   76   C CB  B TYR A 1 11  ? 5.87100   -16.83900 10.52900 0.585 30.70759 ?  8   TYR A CB  1 
ATOM   77   C CG  A TYR A 1 11  ? 6.00800   -18.31400 9.60300  0.415 28.70481 ?  8   TYR A CG  1 
ATOM   78   C CG  B TYR A 1 11  ? 6.47500   -15.64400 9.80200  0.585 30.55305 ?  8   TYR A CG  1 
ATOM   79   C CD1 A TYR A 1 11  ? 7.09800   -18.67000 8.81700  0.415 29.66232 ?  8   TYR A CD1 1 
ATOM   80   C CD1 B TYR A 1 11  ? 6.09300   -14.34400 10.11500 0.585 32.46997 ?  8   TYR A CD1 1 
ATOM   81   C CD2 A TYR A 1 11  ? 4.90100   -19.15100 9.60200  0.415 31.30471 ?  8   TYR A CD2 1 
ATOM   82   C CD2 B TYR A 1 11  ? 7.40600   -15.82000 8.78800  0.585 30.30720 ?  8   TYR A CD2 1 
ATOM   83   C CE1 A TYR A 1 11  ? 7.07500   -19.81000 8.03200  0.415 29.11271 ?  8   TYR A CE1 1 
ATOM   84   C CE1 B TYR A 1 11  ? 6.63500   -13.26300 9.45500  0.585 29.81872 ?  8   TYR A CE1 1 
ATOM   85   C CE2 A TYR A 1 11  ? 4.86700   -20.29000 8.82100  0.415 30.55183 ?  8   TYR A CE2 1 
ATOM   86   C CE2 B TYR A 1 11  ? 7.95400   -14.73800 8.12300  0.585 29.90991 ?  8   TYR A CE2 1 
ATOM   87   C CZ  A TYR A 1 11  ? 5.95300   -20.61600 8.04000  0.415 30.00054 ?  8   TYR A CZ  1 
ATOM   88   C CZ  B TYR A 1 11  ? 7.56700   -13.46400 8.46700  0.585 24.88796 ?  8   TYR A CZ  1 
ATOM   89   O OH  A TYR A 1 11  ? 5.91200   -21.75300 7.26500  0.415 31.38199 ?  8   TYR A OH  1 
ATOM   90   O OH  B TYR A 1 11  ? 8.10600   -12.38200 7.81200  0.585 37.85718 ?  8   TYR A OH  1 
ATOM   91   N N   . TYR A 1 12  ? 6.95400   -15.24800 13.08300 1.000 24.57481 ?  9   TYR A N   1 
ATOM   92   C CA  . TYR A 1 12  ? 7.79300   -14.16800 13.60100 1.000 27.17079 ?  9   TYR A CA  1 
ATOM   93   C C   . TYR A 1 12  ? 8.75000   -14.65800 14.68900 1.000 23.69676 ?  9   TYR A C   1 
ATOM   94   O O   . TYR A 1 12  ? 9.86800   -14.14000 14.79900 1.000 25.61200 ?  9   TYR A O   1 
ATOM   95   C CB  . TYR A 1 12  ? 6.94600   -13.00800 14.13500 1.000 26.45109 ?  9   TYR A CB  1 
ATOM   96   C CG  . TYR A 1 12  ? 7.80800   -11.84100 14.58400 1.000 26.07362 ?  9   TYR A CG  1 
ATOM   97   C CD1 . TYR A 1 12  ? 8.32000   -10.93000 13.66200 1.000 30.73264 ?  9   TYR A CD1 1 
ATOM   98   C CD2 . TYR A 1 12  ? 8.14200   -11.67200 15.92600 1.000 28.09232 ?  9   TYR A CD2 1 
ATOM   99   C CE1 . TYR A 1 12  ? 9.13100   -9.86300  14.08000 1.000 29.84203 ?  9   TYR A CE1 1 
ATOM   100  C CE2 . TYR A 1 12  ? 8.94800   -10.62500 16.34600 1.000 25.60694 ?  9   TYR A CE2 1 
ATOM   101  C CZ  . TYR A 1 12  ? 9.43900   -9.72600  15.42600 1.000 24.56072 ?  9   TYR A CZ  1 
ATOM   102  O OH  . TYR A 1 12  ? 10.23700  -8.68000  15.87300 1.000 28.55062 ?  9   TYR A OH  1 
ATOM   103  N N   . GLU A 1 13  ? 8.34600   -15.64700 15.49300 1.000 23.91021 ?  10  GLU A N   1 
ATOM   104  C CA  . GLU A 1 13  ? 9.28500   -16.23700 16.45000 1.000 25.06565 ?  10  GLU A CA  1 
ATOM   105  C C   . GLU A 1 13  ? 10.50400  -16.79400 15.73100 1.000 27.54043 ?  10  GLU A C   1 
ATOM   106  O O   . GLU A 1 13  ? 11.64300  -16.51200 16.11000 1.000 26.06803 ?  10  GLU A O   1 
ATOM   107  C CB  . GLU A 1 13  ? 8.60700   -17.33200 17.27700 1.000 25.50032 ?  10  GLU A CB  1 
ATOM   108  C CG  . GLU A 1 13  ? 7.65500   -16.77500 18.29200 1.000 23.95505 ?  10  GLU A CG  1 
ATOM   109  C CD  . GLU A 1 13  ? 7.01400   -17.82400 19.17500 1.000 31.43573 ?  10  GLU A CD  1 
ATOM   110  O OE1 . GLU A 1 13  ? 7.34000   -19.02700 19.04600 1.000 31.73593 ?  10  GLU A OE1 1 
ATOM   111  O OE2 . GLU A 1 13  ? 6.16400   -17.42700 19.99800 1.000 33.03282 -1 10  GLU A OE2 1 
ATOM   112  N N   . ARG A 1 14  ? 10.28100  -17.57600 14.66900 1.000 26.57484 ?  11  ARG A N   1 
ATOM   113  C CA  . ARG A 1 14  ? 11.40600  -18.08400 13.89500 1.000 25.07752 ?  11  ARG A CA  1 
ATOM   114  C C   . ARG A 1 14  ? 12.20300  -16.94300 13.27500 1.000 20.73555 ?  11  ARG A C   1 
ATOM   115  O O   . ARG A 1 14  ? 13.44200  -16.96900 13.27200 1.000 19.47360 ?  11  ARG A O   1 
ATOM   116  C CB  . ARG A 1 14  ? 10.90600  -19.05600 12.82100 1.000 24.69630 ?  11  ARG A CB  1 
ATOM   117  C CG  . ARG A 1 14  ? 10.34200  -20.34800 13.39700 1.000 24.24531 ?  11  ARG A CG  1 
ATOM   118  C CD  . ARG A 1 14  ? 9.67000   -21.20400 12.31000 1.000 25.02009 ?  11  ARG A CD  1 
ATOM   119  N NE  . ARG A 1 14  ? 10.61600  -21.63300 11.28700 1.000 28.33136 ?  11  ARG A NE  1 
ATOM   120  C CZ  . ARG A 1 14  ? 10.27000  -22.17700 10.12500 1.000 21.37733 ?  11  ARG A CZ  1 
ATOM   121  N NH1 . ARG A 1 14  ? 9.00200   -22.32900 9.78300  1.000 25.45520 ?  11  ARG A NH1 1 
ATOM   122  N NH2 . ARG A 1 14  ? 11.22200  -22.56900 9.28600  1.000 33.03512 ?  11  ARG A NH2 1 
ATOM   123  N N   . TYR A 1 15  ? 11.50900  -15.92200 12.76600 1.000 22.29482 ?  12  TYR A N   1 
ATOM   124  C CA  . TYR A 1 15  ? 12.17500  -14.78500 12.13500 1.000 25.84773 ?  12  TYR A CA  1 
ATOM   125  C C   . TYR A 1 15  ? 13.09000  -14.04100 13.11000 1.000 20.37135 ?  12  TYR A C   1 
ATOM   126  O O   . TYR A 1 15  ? 14.29200  -13.88900 12.86400 1.000 20.03167 ?  12  TYR A O   1 
ATOM   127  C CB  . TYR A 1 15  ? 11.11800  -13.84900 11.55500 1.000 19.14215 ?  12  TYR A CB  1 
ATOM   128  C CG  . TYR A 1 15  ? 11.63300  -12.49100 11.16100 1.000 25.71487 ?  12  TYR A CG  1 
ATOM   129  C CD1 . TYR A 1 15  ? 12.13400  -12.25700 9.89300  1.000 27.86085 ?  12  TYR A CD1 1 
ATOM   130  C CD2 . TYR A 1 15  ? 11.60300  -11.43600 12.06100 1.000 28.25072 ?  12  TYR A CD2 1 
ATOM   131  C CE1 . TYR A 1 15  ? 12.59900  -11.00500 9.53000  1.000 22.66255 ?  12  TYR A CE1 1 
ATOM   132  C CE2 . TYR A 1 15  ? 12.06800  -10.18400 11.71800 1.000 34.77079 ?  12  TYR A CE2 1 
ATOM   133  C CZ  . TYR A 1 15  ? 12.56700  -9.96800  10.45300 1.000 39.68009 ?  12  TYR A CZ  1 
ATOM   134  O OH  . TYR A 1 15  ? 13.01800  -8.70000  10.12700 1.000 32.51929 ?  12  TYR A OH  1 
ATOM   135  N N   . PHE A 1 16  ? 12.53700  -13.54200 14.21500 1.000 23.15682 ?  13  PHE A N   1 
ATOM   136  C CA  . PHE A 1 16  ? 13.36000  -12.69500 15.08200 1.000 21.48583 ?  13  PHE A CA  1 
ATOM   137  C C   . PHE A 1 16  ? 14.46500  -13.50000 15.76400 1.000 23.65675 ?  13  PHE A C   1 
ATOM   138  O O   . PHE A 1 16  ? 15.56500  -12.97800 16.00300 1.000 23.19940 ?  13  PHE A O   1 
ATOM   139  C CB  . PHE A 1 16  ? 12.47600  -11.95900 16.10200 1.000 25.59716 ?  13  PHE A CB  1 
ATOM   140  C CG  . PHE A 1 16  ? 12.35300  -12.65700 17.44300 1.000 18.17889 ?  13  PHE A CG  1 
ATOM   141  C CD1 . PHE A 1 16  ? 13.38100  -12.59200 18.37900 1.000 23.31703 ?  13  PHE A CD1 1 
ATOM   142  C CD2 . PHE A 1 16  ? 11.18900  -13.32700 17.77700 1.000 24.34479 ?  13  PHE A CD2 1 
ATOM   143  C CE1 . PHE A 1 16  ? 13.27200  -13.23500 19.60500 1.000 26.70634 ?  13  PHE A CE1 1 
ATOM   144  C CE2 . PHE A 1 16  ? 11.07200  -13.96500 18.99700 1.000 27.54762 ?  13  PHE A CE2 1 
ATOM   145  C CZ  . PHE A 1 16  ? 12.10900  -13.91000 19.91500 1.000 22.32145 ?  13  PHE A CZ  1 
ATOM   146  N N   . ALA A 1 17  ? 14.20100  -14.76700 16.07500 1.000 19.68719 ?  14  ALA A N   1 
ATOM   147  C CA  . ALA A 1 17  ? 15.23800  -15.59700 16.67000 1.000 23.31254 ?  14  ALA A CA  1 
ATOM   148  C C   . ALA A 1 17  ? 16.38100  -15.83100 15.69400 1.000 21.11721 ?  14  ALA A C   1 
ATOM   149  O O   . ALA A 1 17  ? 17.54800  -15.85400 16.09100 1.000 22.12557 ?  14  ALA A O   1 
ATOM   150  C CB  . ALA A 1 17  ? 14.64200  -16.92300 17.14200 1.000 23.77785 ?  14  ALA A CB  1 
ATOM   151  N N   . ALA A 1 18  ? 16.06900  -16.01500 14.40700 1.000 22.10142 ?  15  ALA A N   1 
ATOM   152  C CA  . ALA A 1 18  ? 17.13900  -16.13700 13.42300 1.000 18.50225 ?  15  ALA A CA  1 
ATOM   153  C C   . ALA A 1 18  ? 17.91600  -14.83500 13.29000 1.000 21.59522 ?  15  ALA A C   1 
ATOM   154  O O   . ALA A 1 18  ? 19.14200  -14.85000 13.12800 1.000 25.07478 ?  15  ALA A O   1 
ATOM   155  C CB  . ALA A 1 18  ? 16.56500  -16.56000 12.06800 1.000 21.89677 ?  15  ALA A CB  1 
ATOM   156  N N   . LEU A 1 19  ? 17.22300  -13.70000 13.33700 1.000 21.87817 ?  16  LEU A N   1 
ATOM   157  C CA  . LEU A 1 19  ? 17.92700  -12.42800 13.24900 1.000 23.74494 ?  16  LEU A CA  1 
ATOM   158  C C   . LEU A 1 19  ? 18.73800  -12.16500 14.51300 1.000 24.09005 ?  16  LEU A C   1 
ATOM   159  O O   . LEU A 1 19  ? 19.81700  -11.57300 14.44200 1.000 28.01650 ?  16  LEU A O   1 
ATOM   160  C CB  . LEU A 1 19  ? 16.93700  -11.29600 12.97800 1.000 27.70828 ?  16  LEU A CB  1 
ATOM   161  C CG  . LEU A 1 19  ? 17.54100  -9.91600  12.67700 1.000 24.30960 ?  16  LEU A CG  1 
ATOM   162  C CD1 . LEU A 1 19  ? 18.54900  -9.98300  11.52800 1.000 23.77620 ?  16  LEU A CD1 1 
ATOM   163  C CD2 . LEU A 1 19  ? 16.45000  -8.91400  12.36500 1.000 24.81857 ?  16  LEU A CD2 1 
ATOM   164  N N   . ALA A 1 20  ? 18.26700  -12.64500 15.66500 1.000 27.40799 ?  17  ALA A N   1 
ATOM   165  C CA  . ALA A 1 20  ? 19.07700  -12.56000 16.88000 1.000 27.03574 ?  17  ALA A CA  1 
ATOM   166  C C   . ALA A 1 20  ? 20.35800  -13.37500 16.76000 1.000 28.61609 ?  17  ALA A C   1 
ATOM   167  O O   . ALA A 1 20  ? 21.37100  -13.03800 17.38900 1.000 28.07003 ?  17  ALA A O   1 
ATOM   168  C CB  . ALA A 1 20  ? 18.26600  -13.02100 18.09100 1.000 25.25584 ?  17  ALA A CB  1 
ATOM   169  N N   . ALA A 1 21  ? 20.33600  -14.46000 15.98100 1.000 25.32425 ?  18  ALA A N   1 
ATOM   170  C CA  . ALA A 1 21  ? 21.54200  -15.23100 15.71100 1.000 20.48828 ?  18  ALA A CA  1 
ATOM   171  C C   . ALA A 1 21  ? 22.32400  -14.68600 14.52500 1.000 26.49818 ?  18  ALA A C   1 
ATOM   172  O O   . ALA A 1 21  ? 23.36100  -15.26000 14.16700 1.000 26.03596 ?  18  ALA A O   1 
ATOM   173  C CB  . ALA A 1 21  ? 21.19400  -16.70500 15.46500 1.000 25.75875 ?  18  ALA A CB  1 
ATOM   174  N N   . ARG A 1 22  ? 21.84900  -13.59800 13.91600 1.000 27.71631 ?  19  ARG A N   1 
ATOM   175  C CA  . ARG A 1 22  ? 22.40800  -13.06400 12.67100 1.000 26.41924 ?  19  ARG A CA  1 
ATOM   176  C C   . ARG A 1 22  ? 22.47700  -14.15400 11.60700 1.000 24.75533 ?  19  ARG A C   1 
ATOM   177  O O   . ARG A 1 22  ? 23.42000  -14.24700 10.81600 1.000 26.40924 ?  19  ARG A O   1 
ATOM   178  C CB  . ARG A 1 22  ? 23.76500  -12.41100 12.92500 1.000 28.90217 ?  19  ARG A CB  1 
ATOM   179  C CG  . ARG A 1 22  ? 23.61800  -11.30100 13.97200 1.000 32.27430 ?  19  ARG A CG  1 
ATOM   180  C CD  . ARG A 1 22  ? 24.77900  -10.33800 14.00700 1.000 35.04511 ?  19  ARG A CD  1 
ATOM   181  N NE  . ARG A 1 22  ? 25.12500  -9.85900  12.67700 1.000 33.09448 ?  19  ARG A NE  1 
ATOM   182  C CZ  . ARG A 1 22  ? 26.11600  -9.01500  12.43000 1.000 35.88550 ?  19  ARG A CZ  1 
ATOM   183  N NH1 . ARG A 1 22  ? 26.79100  -8.43700  13.41200 1.000 41.38170 ?  19  ARG A NH1 1 
ATOM   184  N NH2 . ARG A 1 22  ? 26.44900  -8.75800  11.17100 1.000 31.73559 ?  19  ARG A NH2 1 
ATOM   185  N N   . ASP A 1 23  ? 21.46000  -15.00000 11.60300 1.000 19.81901 ?  20  ASP A N   1 
ATOM   186  C CA  . ASP A 1 23  ? 21.40500  -16.13800 10.68800 1.000 17.48183 ?  20  ASP A CA  1 
ATOM   187  C C   . ASP A 1 23  ? 20.58000  -15.70500 9.47700  1.000 17.63180 ?  20  ASP A C   1 
ATOM   188  O O   . ASP A 1 23  ? 19.37100  -15.91900 9.41900  1.000 22.23629 ?  20  ASP A O   1 
ATOM   189  C CB  . ASP A 1 23  ? 20.81600  -17.34900 11.39600 1.000 19.49150 ?  20  ASP A CB  1 
ATOM   190  C CG  . ASP A 1 23  ? 20.72800  -18.56100 10.49500 1.000 21.17440 ?  20  ASP A CG  1 
ATOM   191  O OD1 . ASP A 1 23  ? 21.19000  -18.47500 9.34100  1.000 20.18404 ?  20  ASP A OD1 1 
ATOM   192  O OD2 . ASP A 1 23  ? 20.19900  -19.59300 10.95200 1.000 25.33357 -1 20  ASP A OD2 1 
ATOM   193  N N   . TYR A 1 24  ? 21.24300  -15.10100 8.49000  1.000 19.58183 ?  21  TYR A N   1 
ATOM   194  C CA  . TYR A 1 24  ? 20.49300  -14.49900 7.39100  1.000 20.52783 ?  21  TYR A CA  1 
ATOM   195  C C   . TYR A 1 24  ? 19.92700  -15.55000 6.44100  1.000 18.89963 ?  21  TYR A C   1 
ATOM   196  O O   . TYR A 1 24  ? 18.85200  -15.33700 5.86400  1.000 18.11893 ?  21  TYR A O   1 
ATOM   197  C CB  . TYR A 1 24  ? 21.37000  -13.48400 6.64500  1.000 16.07857 ?  21  TYR A CB  1 
ATOM   198  C CG  . TYR A 1 24  ? 21.91900  -12.41900 7.56000  1.000 18.34268 ?  21  TYR A CG  1 
ATOM   199  C CD1 . TYR A 1 24  ? 21.06500  -11.63100 8.33200  1.000 19.88538 ?  21  TYR A CD1 1 
ATOM   200  C CD2 . TYR A 1 24  ? 23.28000  -12.19300 7.65300  1.000 20.21780 ?  21  TYR A CD2 1 
ATOM   201  C CE1 . TYR A 1 24  ? 21.56900  -10.64000 9.19800  1.000 19.44402 ?  21  TYR A CE1 1 
ATOM   202  C CE2 . TYR A 1 24  ? 23.79600  -11.20400 8.52800  1.000 15.68791 ?  21  TYR A CE2 1 
ATOM   203  C CZ  . TYR A 1 24  ? 22.92600  -10.44400 9.29000  1.000 19.99730 ?  21  TYR A CZ  1 
ATOM   204  O OH  . TYR A 1 24  ? 23.42200  -9.47300  10.14100 1.000 22.24864 ?  21  TYR A OH  1 
ATOM   205  N N   . GLU A 1 25  ? 20.59400  -16.70000 6.29200  1.000 18.20889 ?  22  GLU A N   1 
ATOM   206  C CA  . GLU A 1 25  ? 20.05600  -17.74700 5.41200  1.000 21.82727 ?  22  GLU A CA  1 
ATOM   207  C C   . GLU A 1 25  ? 18.74700  -18.32600 5.93900  1.000 20.99950 ?  22  GLU A C   1 
ATOM   208  O O   . GLU A 1 25  ? 17.85500  -18.67400 5.15100  1.000 20.19137 ?  22  GLU A O   1 
ATOM   209  C CB  . GLU A 1 25  ? 21.08000  -18.87000 5.22400  1.000 18.51129 ?  22  GLU A CB  1 
ATOM   210  C CG  . GLU A 1 25  ? 20.66800  -19.94800 4.19000  1.000 22.57329 ?  22  GLU A CG  1 
ATOM   211  C CD  . GLU A 1 25  ? 19.75500  -21.06000 4.75000  1.000 24.61361 ?  22  GLU A CD  1 
ATOM   212  O OE1 . GLU A 1 25  ? 19.63800  -21.17200 5.99500  1.000 21.89055 ?  22  GLU A OE1 1 
ATOM   213  O OE2 . GLU A 1 25  ? 19.16600  -21.83800 3.94300  1.000 22.24141 -1 22  GLU A OE2 1 
ATOM   214  N N   . THR A 1 26  ? 18.62400  -18.49800 7.25800  1.000 19.08651 ?  23  THR A N   1 
ATOM   215  C CA  . THR A 1 26  ? 17.36300  -19.01400 7.78800  1.000 19.28665 ?  23  THR A CA  1 
ATOM   216  C C   . THR A 1 26  ? 16.23800  -18.00900 7.57200  1.000 21.64836 ?  23  THR A C   1 
ATOM   217  O O   . THR A 1 26  ? 15.10900  -18.39500 7.24600  1.000 17.70165 ?  23  THR A O   1 
ATOM   218  C CB  . THR A 1 26  ? 17.50400  -19.39500 9.26600  1.000 27.33005 ?  23  THR A CB  1 
ATOM   219  O OG1 . THR A 1 26  ? 18.39300  -20.51400 9.38500  1.000 25.42324 ?  23  THR A OG1 1 
ATOM   220  C CG2 . THR A 1 26  ? 16.14900  -19.79200 9.86300  1.000 21.71050 ?  23  THR A CG2 1 
ATOM   221  N N   . LEU A 1 27  ? 16.53200  -16.71000 7.71900  1.000 21.52097 ?  24  LEU A N   1 
ATOM   222  C CA  . LEU A 1 27  ? 15.56200  -15.69300 7.32700  1.000 19.48823 ?  24  LEU A CA  1 
ATOM   223  C C   . LEU A 1 27  ? 15.06000  -15.92900 5.91000  1.000 18.70689 ?  24  LEU A C   1 
ATOM   224  O O   . LEU A 1 27  ? 13.85700  -15.85100 5.65000  1.000 19.37229 ?  24  LEU A O   1 
ATOM   225  C CB  . LEU A 1 27  ? 16.18300  -14.29200 7.42300  1.000 22.32893 ?  24  LEU A CB  1 
ATOM   226  C CG  . LEU A 1 27  ? 16.65100  -13.79900 8.78300  1.000 24.24723 ?  24  LEU A CG  1 
ATOM   227  C CD1 . LEU A 1 27  ? 17.03500  -12.33100 8.60400  1.000 20.60184 ?  24  LEU A CD1 1 
ATOM   228  C CD2 . LEU A 1 27  ? 15.54200  -13.94400 9.81400  1.000 25.98842 ?  24  LEU A CD2 1 
ATOM   229  N N   . LEU A 1 28  ? 15.97500  -16.23100 4.97900  1.000 15.65129 ?  25  LEU A N   1 
ATOM   230  C CA  . LEU A 1 28  ? 15.57000  -16.50100 3.60000  1.000 15.24735 ?  25  LEU A CA  1 
ATOM   231  C C   . LEU A 1 28  ? 14.62500  -17.69500 3.52000  1.000 17.38566 ?  25  LEU A C   1 
ATOM   232  O O   . LEU A 1 28  ? 13.56700  -17.61800 2.88500  1.000 15.57163 ?  25  LEU A O   1 
ATOM   233  C CB  . LEU A 1 28  ? 16.80300  -16.72300 2.72200  1.000 14.22020 ?  25  LEU A CB  1 
ATOM   234  C CG  . LEU A 1 28  ? 16.59700  -16.95200 1.21800  1.000 18.54694 ?  25  LEU A CG  1 
ATOM   235  C CD1 . LEU A 1 28  ? 16.00300  -15.74200 0.52000  1.000 20.07465 ?  25  LEU A CD1 1 
ATOM   236  C CD2 . LEU A 1 28  ? 17.92000  -17.35600 0.57800  1.000 21.06236 ?  25  LEU A CD2 1 
ATOM   237  N N   . GLU A 1 29  ? 14.97100  -18.80900 4.16700  1.000 19.02162 ?  26  GLU A N   1 
ATOM   238  C CA  . GLU A 1 29  ? 14.09400  -19.97300 4.06000  1.000 16.29497 ?  26  GLU A CA  1 
ATOM   239  C C   . GLU A 1 29  ? 12.70600  -19.67700 4.61700  1.000 17.80162 ?  26  GLU A C   1 
ATOM   240  O O   . GLU A 1 29  ? 11.70000  -20.15900 4.09000  1.000 15.21684 ?  26  GLU A O   1 
ATOM   241  C CB  . GLU A 1 29  ? 14.69200  -21.17700 4.78900  1.000 14.55364 ?  26  GLU A CB  1 
ATOM   242  C CG  . GLU A 1 29  ? 16.04900  -21.60100 4.32200  1.000 22.48933 ?  26  GLU A CG  1 
ATOM   243  C CD  . GLU A 1 29  ? 16.44800  -22.95900 4.91600  1.000 27.08868 ?  26  GLU A CD  1 
ATOM   244  O OE1 . GLU A 1 29  ? 15.55600  -23.73000 5.34700  1.000 26.78701 ?  26  GLU A OE1 1 
ATOM   245  O OE2 . GLU A 1 29  ? 17.65300  -23.25900 4.93300  1.000 27.32804 -1 26  GLU A OE2 1 
ATOM   246  N N   . ILE A 1 30  ? 12.64100  -18.90500 5.70200  1.000 18.43744 ?  27  ILE A N   1 
ATOM   247  C CA  . ILE A 1 30  ? 11.37000  -18.59100 6.34700  1.000 18.90177 ?  27  ILE A CA  1 
ATOM   248  C C   . ILE A 1 30  ? 10.50800  -17.71700 5.44100  1.000 20.06828 ?  27  ILE A C   1 
ATOM   249  O O   . ILE A 1 30  ? 9.30100   -17.94300 5.29000  1.000 21.11423 ?  27  ILE A O   1 
ATOM   250  C CB  . ILE A 1 30  ? 11.64100  -17.89700 7.69700  1.000 23.43903 ?  27  ILE A CB  1 
ATOM   251  C CG1 . ILE A 1 30  ? 12.21900  -18.87700 8.72600  1.000 21.90413 ?  27  ILE A CG1 1 
ATOM   252  C CG2 . ILE A 1 30  ? 10.40300  -17.24100 8.21600  1.000 25.89914 ?  27  ILE A CG2 1 
ATOM   253  C CD1 . ILE A 1 30  ? 12.86500  -18.12800 9.91600  1.000 22.82089 ?  27  ILE A CD1 1 
ATOM   254  N N   . LEU A 1 31  ? 11.11000  -16.68100 4.84900  1.000 19.48469 ?  28  LEU A N   1 
ATOM   255  C CA  . LEU A 1 31  ? 10.38800  -15.84900 3.89400  1.000 16.25215 ?  28  LEU A CA  1 
ATOM   256  C C   . LEU A 1 31  ? 9.83700   -16.68600 2.74800  1.000 18.36521 ?  28  LEU A C   1 
ATOM   257  O O   . LEU A 1 31  ? 8.67600   -16.53100 2.35500  1.000 17.36178 ?  28  LEU A O   1 
ATOM   258  C CB  . LEU A 1 31  ? 11.30500  -14.75900 3.34300  1.000 14.73900 ?  28  LEU A CB  1 
ATOM   259  C CG  . LEU A 1 31  ? 11.66800  -13.68000 4.33900  1.000 17.81651 ?  28  LEU A CG  1 
ATOM   260  C CD1 . LEU A 1 31  ? 12.75100  -12.78900 3.72100  1.000 22.65139 ?  28  LEU A CD1 1 
ATOM   261  C CD2 . LEU A 1 31  ? 10.40800  -12.88900 4.65900  1.000 22.43660 ?  28  LEU A CD2 1 
ATOM   262  N N   . ARG A 1 32  ? 10.66900  -17.57100 2.19300  1.000 18.71454 ?  29  ARG A N   1 
ATOM   263  C CA  . ARG A 1 32  ? 10.23300  -18.41000 1.08000  1.000 19.42069 ?  29  ARG A CA  1 
ATOM   264  C C   . ARG A 1 32  ? 9.10200   -19.34000 1.49600  1.000 25.35265 ?  29  ARG A C   1 
ATOM   265  O O   . ARG A 1 32  ? 8.13400   -19.53100 0.74900  1.000 21.58375 ?  29  ARG A O   1 
ATOM   266  C CB  . ARG A 1 32  ? 11.41000  -19.23400 0.55200  1.000 20.71110 ?  29  ARG A CB  1 
ATOM   267  C CG  . ARG A 1 32  ? 12.50100  -18.45100 -0.17800 1.000 20.72056 ?  29  ARG A CG  1 
ATOM   268  C CD  . ARG A 1 32  ? 12.04900  -17.92200 -1.53600 1.000 24.51069 ?  29  ARG A CD  1 
ATOM   269  N NE  . ARG A 1 32  ? 13.16700  -17.39800 -2.32300 1.000 19.86662 ?  29  ARG A NE  1 
ATOM   270  C CZ  . ARG A 1 32  ? 13.02900  -16.73100 -3.46200 1.000 21.74984 ?  29  ARG A CZ  1 
ATOM   271  N NH1 . ARG A 1 32  ? 11.83300  -16.44800 -3.95700 1.000 20.57323 ?  29  ARG A NH1 1 
ATOM   272  N NH2 . ARG A 1 32  ? 14.11500  -16.34100 -4.12200 1.000 20.96742 ?  29  ARG A NH2 1 
ATOM   273  N N   . GLU A 1 33  ? 9.22700   -19.96000 2.67000  1.000 19.82485 ?  30  GLU A N   1 
ATOM   274  C CA  . GLU A 1 33  ? 8.21800   -20.91700 3.11600  1.000 23.64958 ?  30  GLU A CA  1 
ATOM   275  C C   . GLU A 1 33  ? 6.88300   -20.22600 3.37800  1.000 23.31690 ?  30  GLU A C   1 
ATOM   276  O O   . GLU A 1 33  ? 5.81400   -20.75500 3.03600  1.000 20.70575 ?  30  GLU A O   1 
ATOM   277  C CB  . GLU A 1 33  ? 8.72300   -21.63900 4.37000  1.000 21.14740 ?  30  GLU A CB  1 
ATOM   278  C CG  . GLU A 1 33  ? 7.87300   -22.80900 4.81500  1.000 26.13819 ?  30  GLU A CG  1 
ATOM   279  C CD  . GLU A 1 33  ? 8.33300   -23.39200 6.13700  1.000 35.11759 ?  30  GLU A CD  1 
ATOM   280  O OE1 . GLU A 1 33  ? 9.27100   -24.22200 6.13400  1.000 34.63199 ?  30  GLU A OE1 1 
ATOM   281  O OE2 . GLU A 1 33  ? 7.76600   -23.00400 7.18000  1.000 37.04479 -1 30  GLU A OE2 1 
ATOM   282  N N   . PHE A 1 34  ? 6.92400   -19.02300 3.95700  1.000 20.59509 ?  31  PHE A N   1 
ATOM   283  C CA  . PHE A 1 34  ? 5.69700   -18.29700 4.24800  1.000 21.75279 ?  31  PHE A CA  1 
ATOM   284  C C   . PHE A 1 34  ? 5.05300   -17.70200 2.99700  1.000 20.23689 ?  31  PHE A C   1 
ATOM   285  O O   . PHE A 1 34  ? 3.84400   -17.45200 2.99700  1.000 25.20737 ?  31  PHE A O   1 
ATOM   286  C CB  . PHE A 1 34  ? 5.97600   -17.18300 5.25000  1.000 19.01559 ?  31  PHE A CB  1 
ATOM   287  C CG  . PHE A 1 34  ? 4.74700   -16.64400 5.89300  1.000 27.29129 ?  31  PHE A CG  1 
ATOM   288  C CD1 . PHE A 1 34  ? 4.03800   -17.41500 6.79300  1.000 27.08867 ?  31  PHE A CD1 1 
ATOM   289  C CD2 . PHE A 1 34  ? 4.30300   -15.35900 5.61000  1.000 27.53765 ?  31  PHE A CD2 1 
ATOM   290  C CE1 . PHE A 1 34  ? 2.89800   -16.92100 7.40000  1.000 34.17823 ?  31  PHE A CE1 1 
ATOM   291  C CE2 . PHE A 1 34  ? 3.16400   -14.85800 6.21400  1.000 32.66905 ?  31  PHE A CE2 1 
ATOM   292  C CZ  . PHE A 1 34  ? 2.45900   -15.64400 7.11000  1.000 29.60435 ?  31  PHE A CZ  1 
ATOM   293  N N   . GLY A 1 35  ? 5.81900   -17.46600 1.94300  1.000 20.79947 ?  32  GLY A N   1 
ATOM   294  C CA  . GLY A 1 35  ? 5.26900   -16.96700 0.69900  1.000 21.14228 ?  32  GLY A CA  1 
ATOM   295  C C   . GLY A 1 35  ? 5.47200   -15.48600 0.45300  1.000 22.06573 ?  32  GLY A C   1 
ATOM   296  O O   . GLY A 1 35  ? 4.72800   -14.89900 -0.34500 1.000 21.66778 ?  32  GLY A O   1 
ATOM   297  N N   . VAL A 1 36  ? 6.45900   -14.87400 1.09000  1.000 19.34365 ?  33  VAL A N   1 
ATOM   298  C CA  . VAL A 1 36  ? 6.72400   -13.45400 0.86800  1.000 18.46402 ?  33  VAL A CA  1 
ATOM   299  C C   . VAL A 1 36  ? 7.45000   -13.33000 -0.46200 1.000 21.83318 ?  33  VAL A C   1 
ATOM   300  O O   . VAL A 1 36  ? 8.53200   -13.89400 -0.64300 1.000 23.52635 ?  33  VAL A O   1 
ATOM   301  C CB  . VAL A 1 36  ? 7.54400   -12.85100 2.01500  1.000 19.58842 ?  33  VAL A CB  1 
ATOM   302  C CG1 . VAL A 1 36  ? 7.66400   -11.34400 1.83700  1.000 20.03035 ?  33  VAL A CG1 1 
ATOM   303  C CG2 . VAL A 1 36  ? 6.90200   -13.18600 3.34400  1.000 22.50129 ?  33  VAL A CG2 1 
ATOM   304  N N   . ALA A 1 37  ? 6.82900   -12.64000 -1.41400 1.000 18.05054 ?  34  ALA A N   1 
ATOM   305  C CA  . ALA A 1 37  ? 7.39600   -12.52600 -2.74300 1.000 25.39389 ?  34  ALA A CA  1 
ATOM   306  C C   . ALA A 1 37  ? 8.18500   -11.24400 -2.96300 1.000 25.07336 ?  34  ALA A C   1 
ATOM   307  O O   . ALA A 1 37  ? 9.01000   -11.20900 -3.87800 1.000 21.12445 ?  34  ALA A O   1 
ATOM   308  C CB  . ALA A 1 37  ? 6.28700   -12.62100 -3.80200 1.000 25.00018 ?  34  ALA A CB  1 
ATOM   309  N N   . LYS A 1 38  ? 7.96900   -10.21000 -2.14400 1.000 21.15735 ?  35  LYS A N   1 
ATOM   310  C CA  . LYS A 1 38  ? 8.48600   -8.87300  -2.43100 1.000 23.75295 ?  35  LYS A CA  1 
ATOM   311  C C   . LYS A 1 38  ? 8.59600   -8.06700  -1.13300 1.000 20.64693 ?  35  LYS A C   1 
ATOM   312  O O   . LYS A 1 38  ? 7.79000   -8.23800  -0.21700 1.000 23.01493 ?  35  LYS A O   1 
ATOM   313  C CB  . LYS A 1 38  ? 7.56100   -8.16900  -3.42900 1.000 29.36529 ?  35  LYS A CB  1 
ATOM   314  C CG  . LYS A 1 38  ? 8.15600   -6.98000  -4.13200 1.000 34.93505 ?  35  LYS A CG  1 
ATOM   315  C CD  . LYS A 1 38  ? 7.17400   -6.42000  -5.14300 1.000 36.62019 ?  35  LYS A CD  1 
ATOM   316  C CE  . LYS A 1 38  ? 6.09000   -5.59600  -4.46600 1.000 37.58479 ?  35  LYS A CE  1 
ATOM   317  N NZ  . LYS A 1 38  ? 5.79000   -4.36500  -5.24400 1.000 38.82723 ?  35  LYS A NZ  1 
ATOM   318  N N   . LEU A 1 39  ? 9.60600   -7.18800  -1.06400 1.000 18.69577 ?  36  LEU A N   1 
ATOM   319  C CA  . LEU A 1 39  ? 9.78800   -6.25400  0.05000  1.000 16.60125 ?  36  LEU A CA  1 
ATOM   320  C C   . LEU A 1 39  ? 9.91200   -4.84400  -0.51300 1.000 20.04230 ?  36  LEU A C   1 
ATOM   321  O O   . LEU A 1 39  ? 10.61900  -4.63100  -1.50200 1.000 19.88082 ?  36  LEU A O   1 
ATOM   322  C CB  . LEU A 1 39  ? 11.03700  -6.58000  0.90200  1.000 19.49110 ?  36  LEU A CB  1 
ATOM   323  C CG  . LEU A 1 39  ? 11.56700  -5.50100  1.86100  1.000 26.14955 ?  36  LEU A CG  1 
ATOM   324  C CD1 . LEU A 1 39  ? 10.68400  -5.33500  3.11400  1.000 22.75742 ?  36  LEU A CD1 1 
ATOM   325  C CD2 . LEU A 1 39  ? 13.05700  -5.71300  2.24300  1.000 23.42577 ?  36  LEU A CD2 1 
ATOM   326  N N   . VAL A 1 40  ? 9.20100   -3.89400  0.09900  1.000 16.77393 ?  37  VAL A N   1 
ATOM   327  C CA  . VAL A 1 40  ? 9.31000   -2.46800  -0.22500 1.000 14.69191 ?  37  VAL A CA  1 
ATOM   328  C C   . VAL A 1 40  ? 9.74400   -1.76900  1.06700  1.000 18.50069 ?  37  VAL A C   1 
ATOM   329  O O   . VAL A 1 40  ? 8.98500   -1.75100  2.04300  1.000 16.07784 ?  37  VAL A O   1 
ATOM   330  C CB  . VAL A 1 40  ? 7.98800   -1.89100  -0.75900 1.000 13.88056 ?  37  VAL A CB  1 
ATOM   331  C CG1 . VAL A 1 40  ? 8.14300   -0.40500  -1.15900 1.000 18.62721 ?  37  VAL A CG1 1 
ATOM   332  C CG2 . VAL A 1 40  ? 7.49600   -2.69300  -1.96100 1.000 15.79334 ?  37  VAL A CG2 1 
ATOM   333  N N   . LEU A 1 41  ? 10.96400  -1.20700  1.08100  1.000 13.78114 ?  38  LEU A N   1 
ATOM   334  C CA  . LEU A 1 41  ? 11.58500  -0.66100  2.29800  1.000 14.02097 ?  38  LEU A CA  1 
ATOM   335  C C   . LEU A 1 41  ? 11.78400  0.84200   2.12300  1.000 17.71559 ?  38  LEU A C   1 
ATOM   336  O O   . LEU A 1 41  ? 12.61200  1.26800   1.31200  1.000 17.95603 ?  38  LEU A O   1 
ATOM   337  C CB  . LEU A 1 41  ? 12.92500  -1.34700  2.57700  1.000 17.30602 ?  38  LEU A CB  1 
ATOM   338  C CG  . LEU A 1 41  ? 13.63300  -1.00300  3.88500  1.000 25.16485 ?  38  LEU A CG  1 
ATOM   339  C CD1 . LEU A 1 41  ? 14.30400  -2.25300  4.42900  1.000 25.61849 ?  38  LEU A CD1 1 
ATOM   340  C CD2 . LEU A 1 41  ? 14.64900  0.10900   3.68000  1.000 25.31557 ?  38  LEU A CD2 1 
ATOM   341  N N   . ASN A 1 42  ? 11.04200  1.64300   2.88900  1.000 16.25433 ?  39  ASN A N   1 
ATOM   342  C CA  . ASN A 1 42  ? 11.04500  3.09500   2.70500  1.000 17.86679 ?  39  ASN A CA  1 
ATOM   343  C C   . ASN A 1 42  ? 10.80800  3.45800   1.23900  1.000 18.36831 ?  39  ASN A C   1 
ATOM   344  O O   . ASN A 1 42  ? 11.41800  4.38600   0.70100  1.000 17.95478 ?  39  ASN A O   1 
ATOM   345  C CB  . ASN A 1 42  ? 12.35000  3.71300   3.19900  1.000 18.65993 ?  39  ASN A CB  1 
ATOM   346  C CG  . ASN A 1 42  ? 12.46900  3.70000   4.70500  1.000 20.77964 ?  39  ASN A CG  1 
ATOM   347  O OD1 . ASN A 1 42  ? 11.48000  3.52800   5.41300  1.000 16.45320 ?  39  ASN A OD1 1 
ATOM   348  N ND2 . ASN A 1 42  ? 13.67800  3.92700   5.20200  1.000 20.51671 ?  39  ASN A ND2 1 
ATOM   349  N N   . GLY A 1 43  ? 9.93300   2.69300   0.57600  1.000 17.46698 ?  40  GLY A N   1 
ATOM   350  C CA  . GLY A 1 43  ? 9.58200   2.94100   -0.80800 1.000 18.55042 ?  40  GLY A CA  1 
ATOM   351  C C   . GLY A 1 43  ? 10.49300  2.33600   -1.85400 1.000 18.46582 ?  40  GLY A C   1 
ATOM   352  O O   . GLY A 1 43  ? 10.16500  2.41600   -3.05200 1.000 21.59922 ?  40  GLY A O   1 
ATOM   353  N N   . ARG A 1 44  ? 11.61500  1.73500   -1.45500 1.000 19.85168 ?  41  ARG A N   1 
ATOM   354  C CA  . ARG A 1 44  ? 12.54400  1.11000   -2.38400 1.000 22.22139 ?  41  ARG A CA  1 
ATOM   355  C C   . ARG A 1 44  ? 12.14400  -0.34100  -2.63900 1.000 22.42011 ?  41  ARG A C   1 
ATOM   356  O O   . ARG A 1 44  ? 11.83800  -1.08800  -1.70600 1.000 18.26631 ?  41  ARG A O   1 
ATOM   357  C CB  . ARG A 1 44  ? 13.97700  1.17200   -1.83700 1.000 21.49739 ?  41  ARG A CB  1 
ATOM   358  C CG  . ARG A 1 44  ? 14.55800  2.60100   -1.66500 1.000 19.82271 ?  41  ARG A CG  1 
ATOM   359  C CD  . ARG A 1 44  ? 16.04700  2.55100   -1.26700 1.000 21.53069 ?  41  ARG A CD  1 
ATOM   360  N NE  . ARG A 1 44  ? 16.25700  2.46300   0.18300  1.000 24.41932 ?  41  ARG A NE  1 
ATOM   361  C CZ  . ARG A 1 44  ? 17.18700  1.71700   0.76700  1.000 26.30122 ?  41  ARG A CZ  1 
ATOM   362  N NH1 . ARG A 1 44  ? 17.92900  0.86200   0.07100  1.000 22.88191 ?  41  ARG A NH1 1 
ATOM   363  N NH2 . ARG A 1 44  ? 17.37100  1.81800   2.08700  1.000 23.88883 ?  41  ARG A NH2 1 
ATOM   364  N N   . GLU A 1 45  ? 12.18700  -0.75100  -3.90400 1.000 20.94464 ?  42  GLU A N   1 
ATOM   365  C CA  . GLU A 1 45  ? 11.77300  -2.10700  -4.26800 1.000 19.67857 ?  42  GLU A CA  1 
ATOM   366  C C   . GLU A 1 45  ? 12.90100  -3.12200  -4.09200 1.000 22.20006 ?  42  GLU A C   1 
ATOM   367  O O   . GLU A 1 45  ? 14.03200  -2.91200  -4.55200 1.000 21.55862 ?  42  GLU A O   1 
ATOM   368  C CB  . GLU A 1 45  ? 11.26400  -2.12900  -5.71300 1.000 23.80772 ?  42  GLU A CB  1 
ATOM   369  C CG  . GLU A 1 45  ? 10.70900  -3.49000  -6.12600 1.000 33.74485 ?  42  GLU A CG  1 
ATOM   370  C CD  . GLU A 1 45  ? 10.49300  -3.61400  -7.62400 1.000 41.98543 ?  42  GLU A CD  1 
ATOM   371  O OE1 . GLU A 1 45  ? 9.44500   -3.13800  -8.11200 1.000 61.32479 ?  42  GLU A OE1 1 
ATOM   372  O OE2 . GLU A 1 45  ? 11.37300  -4.18100  -8.31300 1.000 45.04982 -1 42  GLU A OE2 1 
ATOM   373  N N   . PHE A 1 46  ? 12.58000  -4.23800  -3.42700 1.000 18.65827 ?  43  PHE A N   1 
ATOM   374  C CA  . PHE A 1 46  ? 13.45300  -5.40400  -3.32700 1.000 20.36248 ?  43  PHE A CA  1 
ATOM   375  C C   . PHE A 1 46  ? 12.68500  -6.55400  -3.97600 1.000 23.76715 ?  43  PHE A C   1 
ATOM   376  O O   . PHE A 1 46  ? 11.68700  -7.03400  -3.42700 1.000 24.63205 ?  43  PHE A O   1 
ATOM   377  C CB  . PHE A 1 46  ? 13.84200  -5.69900  -1.87100 1.000 21.52191 ?  43  PHE A CB  1 
ATOM   378  C CG  . PHE A 1 46  ? 14.74700  -4.64500  -1.25700 1.000 22.41890 ?  43  PHE A CG  1 
ATOM   379  C CD1 . PHE A 1 46  ? 14.23100  -3.42700  -0.83100 1.000 23.74160 ?  43  PHE A CD1 1 
ATOM   380  C CD2 . PHE A 1 46  ? 16.11500  -4.85700  -1.15700 1.000 21.50888 ?  43  PHE A CD2 1 
ATOM   381  C CE1 . PHE A 1 46  ? 15.06800  -2.45300  -0.29100 1.000 27.13296 ?  43  PHE A CE1 1 
ATOM   382  C CE2 . PHE A 1 46  ? 16.96200  -3.89400  -0.60900 1.000 22.74224 ?  43  PHE A CE2 1 
ATOM   383  C CZ  . PHE A 1 46  ? 16.43600  -2.68500  -0.18000 1.000 23.00995 ?  43  PHE A CZ  1 
ATOM   384  N N   . ALA A 1 47  ? 13.13100  -6.96100  -5.16500 1.000 20.14728 ?  44  ALA A N   1 
ATOM   385  C CA  . ALA A 1 47  ? 12.26300  -7.69200  -6.08400 1.000 22.27856 ?  44  ALA A CA  1 
ATOM   386  C C   . ALA A 1 47  ? 11.89100  -9.08500  -5.59200 1.000 22.26985 ?  44  ALA A C   1 
ATOM   387  O O   . ALA A 1 47  ? 10.89100  -9.63300  -6.06700 1.000 23.41518 ?  44  ALA A O   1 
ATOM   388  C CB  . ALA A 1 47  ? 12.92300  -7.79400  -7.46200 1.000 23.50437 ?  44  ALA A CB  1 
ATOM   389  N N   . SER A 1 48  ? 12.67000  -9.67400  -4.68700 1.000 19.78465 ?  45  SER A N   1 
ATOM   390  C CA  . SER A 1 48  ? 12.37400  -11.00100 -4.16000 1.000 20.72087 ?  45  SER A CA  1 
ATOM   391  C C   . SER A 1 48  ? 13.03100  -11.12700 -2.79500 1.000 20.67943 ?  45  SER A C   1 
ATOM   392  O O   . SER A 1 48  ? 13.77600  -10.23600 -2.37200 1.000 15.30520 ?  45  SER A O   1 
ATOM   393  C CB  . SER A 1 48  ? 12.85600  -12.11500 -5.11300 1.000 17.36891 ?  45  SER A CB  1 
ATOM   394  O OG  . SER A 1 48  ? 14.25100  -12.36300 -5.00700 1.000 21.92905 ?  45  SER A OG  1 
ATOM   395  N N   . PRO A 1 49  ? 12.76700  -12.21900 -2.07500 1.000 20.57537 ?  46  PRO A N   1 
ATOM   396  C CA  . PRO A 1 49  ? 13.48800  -12.46100 -0.81500 1.000 17.25652 ?  46  PRO A CA  1 
ATOM   397  C C   . PRO A 1 49  ? 15.00500  -12.43000 -0.92800 1.000 19.07525 ?  46  PRO A C   1 
ATOM   398  O O   . PRO A 1 49  ? 15.66700  -12.08500 0.06000  1.000 19.58955 ?  46  PRO A O   1 
ATOM   399  C CB  . PRO A 1 49  ? 12.97700  -13.85200 -0.40800 1.000 20.42204 ?  46  PRO A CB  1 
ATOM   400  C CG  . PRO A 1 49  ? 11.60400  -13.88400 -0.91000 1.000 20.18155 ?  46  PRO A CG  1 
ATOM   401  C CD  . PRO A 1 49  ? 11.62800  -13.14700 -2.22400 1.000 23.22458 ?  46  PRO A CD  1 
ATOM   402  N N   . GLU A 1 50  ? 15.58300  -12.80900 -2.07200 1.000 16.57590 ?  47  GLU A N   1 
ATOM   403  C CA  . GLU A 1 50  ? 17.03300  -12.73200 -2.23100 1.000 15.46397 ?  47  GLU A CA  1 
ATOM   404  C C   . GLU A 1 50  ? 17.54000  -11.33500 -1.92400 1.000 17.17433 ?  47  GLU A C   1 
ATOM   405  O O   . GLU A 1 50  ? 18.55100  -11.16000 -1.23300 1.000 18.23482 ?  47  GLU A O   1 
ATOM   406  C CB  . GLU A 1 50  ? 17.44500  -13.10300 -3.65500 1.000 17.74384 ?  47  GLU A CB  1 
ATOM   407  C CG  . GLU A 1 50  ? 17.07800  -14.51200 -4.05600 1.000 20.32398 ?  47  GLU A CG  1 
ATOM   408  C CD  . GLU A 1 50  ? 17.54800  -15.54200 -3.03900 1.000 24.80659 ?  47  GLU A CD  1 
ATOM   409  O OE1 . GLU A 1 50  ? 18.68300  -15.41100 -2.52400 1.000 25.34878 ?  47  GLU A OE1 1 
ATOM   410  O OE2 . GLU A 1 50  ? 16.77000  -16.48100 -2.75400 1.000 24.31495 -1 47  GLU A OE2 1 
ATOM   411  N N   . GLU A 1 51  ? 16.88200  -10.32700 -2.49800 1.000 19.06414 ?  48  GLU A N   1 
ATOM   412  C CA  . GLU A 1 51  ? 17.37500  -8.96600  -2.35500 1.000 16.71657 ?  48  GLU A CA  1 
ATOM   413  C C   . GLU A 1 51  ? 17.17900  -8.47200  -0.92800 1.000 16.95624 ?  48  GLU A C   1 
ATOM   414  O O   . GLU A 1 51  ? 18.03000  -7.74900  -0.39100 1.000 18.81494 ?  48  GLU A O   1 
ATOM   415  C CB  . GLU A 1 51  ? 16.68900  -8.04900  -3.37300 1.000 17.07295 ?  48  GLU A CB  1 
ATOM   416  C CG  . GLU A 1 51  ? 17.16100  -8.25500  -4.81700 1.000 17.00692 ?  48  GLU A CG  1 
ATOM   417  C CD  . GLU A 1 51  ? 16.72700  -9.59600  -5.37800 1.000 22.37385 ?  48  GLU A CD  1 
ATOM   418  O OE1 . GLU A 1 51  ? 15.55300  -9.98200  -5.17100 1.000 18.25382 ?  48  GLU A OE1 1 
ATOM   419  O OE2 . GLU A 1 51  ? 17.56900  -10.26600 -6.00600 1.000 22.98429 -1 48  GLU A OE2 1 
ATOM   420  N N   . ALA A 1 52  ? 16.07700  -8.88500  -0.28800 1.000 16.38267 ?  49  ALA A N   1 
ATOM   421  C CA  . ALA A 1 52  ? 15.81200  -8.51200  1.09800  1.000 16.09735 ?  49  ALA A CA  1 
ATOM   422  C C   . ALA A 1 52  ? 16.89900  -9.03300  2.03600  1.000 16.56195 ?  49  ALA A C   1 
ATOM   423  O O   . ALA A 1 52  ? 17.41400  -8.29800  2.88900  1.000 15.20916 ?  49  ALA A O   1 
ATOM   424  C CB  . ALA A 1 52  ? 14.43800  -9.04700  1.52400  1.000 16.12092 ?  49  ALA A CB  1 
ATOM   425  N N   . VAL A 1 53  ? 17.25500  -10.31100 1.89700  1.000 16.44588 ?  50  VAL A N   1 
ATOM   426  C CA  . VAL A 1 53  ? 18.26800  -10.90600 2.76000  1.000 14.17312 ?  50  VAL A CA  1 
ATOM   427  C C   . VAL A 1 53  ? 19.67500  -10.45100 2.37000  1.000 15.87408 ?  50  VAL A C   1 
ATOM   428  O O   . VAL A 1 53  ? 20.55300  -10.31800 3.24000  1.000 15.74571 ?  50  VAL A O   1 
ATOM   429  C CB  . VAL A 1 53  ? 18.10800  -12.43700 2.72300  1.000 17.75656 ?  50  VAL A CB  1 
ATOM   430  C CG1 . VAL A 1 53  ? 19.24200  -13.12700 3.46100  1.000 20.50756 ?  50  VAL A CG1 1 
ATOM   431  C CG2 . VAL A 1 53  ? 16.75100  -12.82600 3.32600  1.000 14.30485 ?  50  VAL A CG2 1 
ATOM   432  N N   . GLN A 1 54  ? 19.91200  -10.16900 1.08100  1.000 15.02750 ?  51  GLN A N   1 
ATOM   433  C CA  . GLN A 1 54  ? 21.16600  -9.51600  0.71700  1.000 15.86970 ?  51  GLN A CA  1 
ATOM   434  C C   . GLN A 1 54  ? 21.30300  -8.18000  1.44800  1.000 18.46720 ?  51  GLN A C   1 
ATOM   435  O O   . GLN A 1 54  ? 22.38900  -7.83300  1.92500  1.000 16.89021 ?  51  GLN A O   1 
ATOM   436  C CB  . GLN A 1 54  ? 21.25700  -9.29600  -0.79900 1.000 18.07942 ?  51  GLN A CB  1 
ATOM   437  C CG  . GLN A 1 54  ? 22.64600  -8.83400  -1.26300 1.000 15.12476 ?  51  GLN A CG  1 
ATOM   438  C CD  . GLN A 1 54  ? 23.70900  -9.89900  -1.04700 1.000 19.16049 ?  51  GLN A CD  1 
ATOM   439  O OE1 . GLN A 1 54  ? 23.50600  -11.06200 -1.40700 1.000 18.70065 ?  51  GLN A OE1 1 
ATOM   440  N NE2 . GLN A 1 54  ? 24.84600  -9.51000  -0.46400 1.000 21.27951 ?  51  GLN A NE2 1 
ATOM   441  N N   . TRP A 1 55  ? 20.20200  -7.42200  1.53800  1.000 17.49208 ?  52  TRP A N   1 
ATOM   442  C CA  . TRP A 1 55  ? 20.18900  -6.16600  2.29500  1.000 16.56667 ?  52  TRP A CA  1 
ATOM   443  C C   . TRP A 1 55  ? 20.55800  -6.39800  3.75500  1.000 17.99467 ?  52  TRP A C   1 
ATOM   444  O O   . TRP A 1 55  ? 21.41900  -5.70700  4.30900  1.000 17.25441 ?  52  TRP A O   1 
ATOM   445  C CB  . TRP A 1 55  ? 18.79900  -5.51600  2.19300  1.000 20.61390 ?  52  TRP A CB  1 
ATOM   446  C CG  . TRP A 1 55  ? 18.66700  -4.21600  2.93200  1.000 19.86341 ?  52  TRP A CG  1 
ATOM   447  C CD1 . TRP A 1 55  ? 18.98100  -2.97800  2.46200  1.000 20.76045 ?  52  TRP A CD1 1 
ATOM   448  C CD2 . TRP A 1 55  ? 18.17100  -4.02800  4.26700  1.000 20.81616 ?  52  TRP A CD2 1 
ATOM   449  N NE1 . TRP A 1 55  ? 18.72100  -2.02800  3.42200  1.000 25.01393 ?  52  TRP A NE1 1 
ATOM   450  C CE2 . TRP A 1 55  ? 18.22000  -2.64500  4.53800  1.000 21.14596 ?  52  TRP A CE2 1 
ATOM   451  C CE3 . TRP A 1 55  ? 17.68000  -4.89100  5.25000  1.000 19.92060 ?  52  TRP A CE3 1 
ATOM   452  C CZ2 . TRP A 1 55  ? 17.81800  -2.10500  5.76600  1.000 24.22545 ?  52  TRP A CZ2 1 
ATOM   453  C CZ3 . TRP A 1 55  ? 17.27500  -4.35500  6.47100  1.000 27.11116 ?  52  TRP A CZ3 1 
ATOM   454  C CH2 . TRP A 1 55  ? 17.35600  -2.97400  6.72200  1.000 21.64241 ?  52  TRP A CH2 1 
ATOM   455  N N   . ALA A 1 56  ? 19.90900  -7.37400  4.39800  1.000 18.75552 ?  53  ALA A N   1 
ATOM   456  C CA  . ALA A 1 56  ? 20.21300  -7.66900  5.79800  1.000 15.51553 ?  53  ALA A CA  1 
ATOM   457  C C   . ALA A 1 56  ? 21.69000  -8.00600  6.00100  1.000 19.89250 ?  53  ALA A C   1 
ATOM   458  O O   . ALA A 1 56  ? 22.34200  -7.49200  6.92100  1.000 19.23228 ?  53  ALA A O   1 
ATOM   459  C CB  . ALA A 1 56  ? 19.33000  -8.81400  6.29300  1.000 19.34423 ?  53  ALA A CB  1 
ATOM   460  N N   . ARG A 1 57  ? 22.23000  -8.90000  5.17500  1.000 19.02023 ?  54  ARG A N   1 
ATOM   461  C CA  . ARG A 1 57  ? 23.64500  -9.24600  5.28100  1.000 17.81147 ?  54  ARG A CA  1 
ATOM   462  C C   . ARG A 1 57  ? 24.54000  -8.02700  5.04200  1.000 15.18521 ?  54  ARG A C   1 
ATOM   463  O O   . ARG A 1 57  ? 25.47000  -7.76000  5.81900  1.000 18.42454 ?  54  ARG A O   1 
ATOM   464  C CB  . ARG A 1 57  ? 23.97100  -10.36700 4.29000  1.000 20.94382 ?  54  ARG A CB  1 
ATOM   465  C CG  . ARG A 1 57  ? 25.39600  -10.86400 4.38900  1.000 19.38174 ?  54  ARG A CG  1 
ATOM   466  C CD  . ARG A 1 57  ? 26.28800  -10.21700 3.37200  1.000 19.81379 ?  54  ARG A CD  1 
ATOM   467  N NE  . ARG A 1 57  ? 27.69700  -10.28200 3.73200  1.000 25.96349 ?  54  ARG A NE  1 
ATOM   468  C CZ  . ARG A 1 57  ? 28.60900  -9.44100  3.26400  1.000 34.45542 ?  54  ARG A CZ  1 
ATOM   469  N NH1 . ARG A 1 57  ? 28.29300  -8.49700  2.39100  1.000 28.59181 ?  54  ARG A NH1 1 
ATOM   470  N NH2 . ARG A 1 57  ? 29.86400  -9.53900  3.69400  1.000 36.58091 ?  54  ARG A NH2 1 
ATOM   471  N N   . ASP A 1 58  ? 24.27200  -7.27400  3.97300  1.000 17.49619 ?  55  ASP A N   1 
ATOM   472  C CA  . ASP A 1 58  ? 25.15400  -6.17400  3.58900  1.000 19.51633 ?  55  ASP A CA  1 
ATOM   473  C C   . ASP A 1 58  ? 25.15800  -5.06500  4.62900  1.000 18.31157 ?  55  ASP A C   1 
ATOM   474  O O   . ASP A 1 58  ? 26.18900  -4.40800  4.82100  1.000 19.92116 ?  55  ASP A O   1 
ATOM   475  C CB  . ASP A 1 58  ? 24.74800  -5.59100  2.22600  1.000 15.82227 ?  55  ASP A CB  1 
ATOM   476  C CG  . ASP A 1 58  ? 25.19500  -6.46200  1.04800  1.000 21.81870 ?  55  ASP A CG  1 
ATOM   477  O OD1 . ASP A 1 58  ? 25.96200  -7.41700  1.26200  1.000 18.58686 ?  55  ASP A OD1 1 
ATOM   478  O OD2 . ASP A 1 58  ? 24.79100  -6.17900  -0.10100 1.000 20.66736 -1 55  ASP A OD2 1 
ATOM   479  N N   . THR A 1 59  ? 24.03300  -4.85000  5.31600  1.000 14.71977 ?  56  THR A N   1 
ATOM   480  C CA  . THR A 1 59  ? 23.98400  -3.82300  6.36400  1.000 16.33142 ?  56  THR A CA  1 
ATOM   481  C C   . THR A 1 59  ? 24.47500  -4.33700  7.70800  1.000 19.62556 ?  56  THR A C   1 
ATOM   482  O O   . THR A 1 59  ? 24.72600  -3.53600  8.61200  1.000 18.97256 ?  56  THR A O   1 
ATOM   483  C CB  . THR A 1 59  ? 22.56000  -3.30200  6.55900  1.000 19.17719 ?  56  THR A CB  1 
ATOM   484  O OG1 . THR A 1 59  ? 21.70900  -4.39200  6.94300  1.000 22.37857 ?  56  THR A OG1 1 
ATOM   485  C CG2 . THR A 1 59  ? 22.02900  -2.67800  5.29200  1.000 23.82094 ?  56  THR A CG2 1 
ATOM   486  N N   . GLY A 1 60  ? 24.59200  -5.64500  7.87300  1.000 16.01793 ?  57  GLY A N   1 
ATOM   487  C CA  . GLY A 1 60  ? 24.89900  -6.18800  9.18200  1.000 17.41090 ?  57  GLY A CA  1 
ATOM   488  C C   . GLY A 1 60  ? 23.74800  -6.01100  10.14900 1.000 19.73992 ?  57  GLY A C   1 
ATOM   489  O O   . GLY A 1 60  ? 23.97000  -5.69200  11.32600 1.000 21.14518 ?  57  GLY A O   1 
ATOM   490  N N   . LEU A 1 61  ? 22.52100  -6.21500  9.67300  1.000 15.59113 ?  58  LEU A N   1 
ATOM   491  C CA  . LEU A 1 61  ? 21.32100  -6.04700  10.49000 1.000 17.98123 ?  58  LEU A CA  1 
ATOM   492  C C   . LEU A 1 61  ? 21.36400  -6.88800  11.76800 1.000 24.90719 ?  58  LEU A C   1 
ATOM   493  O O   . LEU A 1 61  ? 21.69500  -8.07900  11.73100 1.000 22.15809 ?  58  LEU A O   1 
ATOM   494  C CB  . LEU A 1 61  ? 20.09500  -6.42000  9.66200  1.000 14.67462 ?  58  LEU A CB  1 
ATOM   495  C CG  . LEU A 1 61  ? 18.72500  -6.18200  10.31100 1.000 17.72394 ?  58  LEU A CG  1 
ATOM   496  C CD1 . LEU A 1 61  ? 18.46000  -4.68800  10.42200 1.000 19.41093 ?  58  LEU A CD1 1 
ATOM   497  C CD2 . LEU A 1 61  ? 17.64200  -6.91100  9.50700  1.000 21.15482 ?  58  LEU A CD2 1 
ATOM   498  N N   . ARG A 1 62  ? 21.00100  -6.25900  12.90000 1.000 20.96879 ?  59  ARG A N   1 
ATOM   499  C CA  . ARG A 1 62  ? 20.88200  -6.91200  14.20700 1.000 16.53686 ?  59  ARG A CA  1 
ATOM   500  C C   . ARG A 1 62  ? 19.52400  -6.59500  14.82600 1.000 21.76669 ?  59  ARG A C   1 
ATOM   501  O O   . ARG A 1 62  ? 18.96400  -5.51800  14.60600 1.000 18.93262 ?  59  ARG A O   1 
ATOM   502  C CB  . ARG A 1 62  ? 21.99500  -6.46100  15.17200 1.000 20.16418 ?  59  ARG A CB  1 
ATOM   503  C CG  . ARG A 1 62  ? 23.40000  -6.84200  14.72500 1.000 30.53730 ?  59  ARG A CG  1 
ATOM   504  C CD  . ARG A 1 62  ? 24.47500  -6.14400  15.55300 1.000 33.05690 ?  59  ARG A CD  1 
ATOM   505  N NE  . ARG A 1 62  ? 24.22700  -6.25300  16.98500 1.000 35.63565 ?  59  ARG A NE  1 
ATOM   506  C CZ  . ARG A 1 62  ? 24.12300  -5.22300  17.81400 1.000 37.03462 ?  59  ARG A CZ  1 
ATOM   507  N NH1 . ARG A 1 62  ? 24.24600  -3.97400  17.38900 1.000 38.71342 ?  59  ARG A NH1 1 
ATOM   508  N NH2 . ARG A 1 62  ? 23.90600  -5.45100  19.10600 1.000 34.84522 ?  59  ARG A NH2 1 
ATOM   509  N N   . PHE A 1 63  ? 19.00300  -7.53400  15.61900 1.000 20.63454 ?  60  PHE A N   1 
ATOM   510  C CA  . PHE A 1 63  ? 17.71800  -7.39300  16.30400 1.000 17.19753 ?  60  PHE A CA  1 
ATOM   511  C C   . PHE A 1 63  ? 17.94700  -6.95000  17.74300 1.000 20.49484 ?  60  PHE A C   1 
ATOM   512  O O   . PHE A 1 63  ? 18.76400  -7.55200  18.45200 1.000 20.99521 ?  60  PHE A O   1 
ATOM   513  C CB  . PHE A 1 63  ? 16.94900  -8.72100  16.29800 1.000 17.59516 ?  60  PHE A CB  1 
ATOM   514  C CG  . PHE A 1 63  ? 15.59100  -8.65000  16.97300 1.000 14.66842 ?  60  PHE A CG  1 
ATOM   515  C CD1 . PHE A 1 63  ? 14.49300  -8.18400  16.28400 1.000 19.80921 ?  60  PHE A CD1 1 
ATOM   516  C CD2 . PHE A 1 63  ? 15.42600  -9.06900  18.28300 1.000 20.24937 ?  60  PHE A CD2 1 
ATOM   517  C CE1 . PHE A 1 63  ? 13.25000  -8.11800  16.88000 1.000 23.51379 ?  60  PHE A CE1 1 
ATOM   518  C CE2 . PHE A 1 63  ? 14.17500  -9.00300  18.90000 1.000 19.45833 ?  60  PHE A CE2 1 
ATOM   519  C CZ  . PHE A 1 63  ? 13.08900  -8.52800  18.18800 1.000 20.45193 ?  60  PHE A CZ  1 
ATOM   520  N N   . LEU A 1 64  ? 17.24100  -5.89700  18.17800 1.000 16.90206 ?  61  LEU A N   1 
ATOM   521  C CA  . LEU A 1 64  ? 17.38400  -5.41100  19.55300 1.000 13.09820 ?  61  LEU A CA  1 
ATOM   522  C C   . LEU A 1 64  ? 16.16100  -5.67200  20.42000 1.000 18.94350 ?  61  LEU A C   1 
ATOM   523  O O   . LEU A 1 64  ? 16.29600  -6.10700  21.57200 1.000 21.29125 ?  61  LEU A O   1 
ATOM   524  C CB  . LEU A 1 64  ? 17.67100  -3.90300  19.58600 1.000 15.85581 ?  61  LEU A CB  1 
ATOM   525  C CG  . LEU A 1 64  ? 18.84600  -3.30600  18.81200 1.000 23.48268 ?  61  LEU A CG  1 
ATOM   526  C CD1 . LEU A 1 64  ? 19.21300  -1.97200  19.42300 1.000 21.55803 ?  61  LEU A CD1 1 
ATOM   527  C CD2 . LEU A 1 64  ? 20.03900  -4.21900  18.71000 1.000 22.02917 ?  61  LEU A CD2 1 
ATOM   528  N N   . ARG A 1 65  ? 14.96900  -5.37900  19.92500 1.000 14.84497 ?  62  ARG A N   1 
ATOM   529  C CA  . ARG A 1 65  ? 13.77400  -5.43500  20.76400 1.000 18.32557 ?  62  ARG A CA  1 
ATOM   530  C C   . ARG A 1 65  ? 12.50700  -5.50700  19.91900 1.000 22.87678 ?  62  ARG A C   1 
ATOM   531  O O   . ARG A 1 65  ? 12.37200  -4.76400  18.94300 1.000 19.63455 ?  62  ARG A O   1 
ATOM   532  C CB  . ARG A 1 65  ? 13.70700  -4.19800  21.66500 1.000 14.93455 ?  62  ARG A CB  1 
ATOM   533  C CG  . ARG A 1 65  ? 12.35900  -3.98500  22.32300 1.000 25.83652 ?  62  ARG A CG  1 
ATOM   534  C CD  . ARG A 1 65  ? 12.44300  -4.20000  23.80600 1.000 25.81193 ?  62  ARG A CD  1 
ATOM   535  N NE  . ARG A 1 65  ? 11.12300  -4.29600  24.41000 1.000 30.22130 ?  62  ARG A NE  1 
ATOM   536  C CZ  . ARG A 1 65  ? 10.90100  -4.11400  25.70000 1.000 18.53542 ?  62  ARG A CZ  1 
ATOM   537  N NH1 . ARG A 1 65  ? 11.88800  -3.85200  26.53300 1.000 23.16135 ?  62  ARG A NH1 1 
ATOM   538  N NH2 . ARG A 1 65  ? 9.65700   -4.19100  26.16200 1.000 27.03306 ?  62  ARG A NH2 1 
ATOM   539  N N   . LEU A 1 66  ? 11.55600  -6.35700  20.33500 1.000 16.26167 ?  63  LEU A N   1 
ATOM   540  C CA  . LEU A 1 66  ? 10.19600  -6.36000  19.78200 1.000 19.38202 ?  63  LEU A CA  1 
ATOM   541  C C   . LEU A 1 66  ? 9.29000   -5.45500  20.62200 1.000 26.61219 ?  63  LEU A C   1 
ATOM   542  O O   . LEU A 1 66  ? 9.29000   -5.54500  21.85200 1.000 22.08570 ?  63  LEU A O   1 
ATOM   543  C CB  . LEU A 1 66  ? 9.62600   -7.78600  19.74600 1.000 21.66385 ?  63  LEU A CB  1 
ATOM   544  C CG  . LEU A 1 66  ? 8.11800   -7.90400  19.45400 1.000 19.11903 ?  63  LEU A CG  1 
ATOM   545  C CD1 . LEU A 1 66  ? 7.82100   -7.51700  18.01600 1.000 19.46334 ?  63  LEU A CD1 1 
ATOM   546  C CD2 . LEU A 1 66  ? 7.58700   -9.31500  19.73300 1.000 21.71744 ?  63  LEU A CD2 1 
ATOM   547  N N   . ILE A 1 67  ? 8.52600   -4.58100  19.96600 1.000 17.09187 ?  64  ILE A N   1 
ATOM   548  C CA  . ILE A 1 67  ? 7.64700   -3.64100  20.66200 1.000 21.45706 ?  64  ILE A CA  1 
ATOM   549  C C   . ILE A 1 67  ? 6.18600   -4.08100  20.63200 1.000 25.39875 ?  64  ILE A C   1 
ATOM   550  O O   . ILE A 1 67  ? 5.50800   -4.06100  21.65800 1.000 25.60091 ?  64  ILE A O   1 
ATOM   551  C CB  . ILE A 1 67  ? 7.80600   -2.22400  20.07400 1.000 20.69200 ?  64  ILE A CB  1 
ATOM   552  C CG1 . ILE A 1 67  ? 9.21800   -1.70300  20.31500 1.000 24.26294 ?  64  ILE A CG1 1 
ATOM   553  C CG2 . ILE A 1 67  ? 6.79300   -1.29600  20.68600 1.000 26.51247 ?  64  ILE A CG2 1 
ATOM   554  C CD1 . ILE A 1 67  ? 9.41700   -0.32200  19.76500 1.000 23.42968 ?  64  ILE A CD1 1 
ATOM   555  N N   . ARG A 1 68  ? 5.65800   -4.43800  19.46000 1.000 22.80064 ?  65  ARG A N   1 
ATOM   556  C CA  . ARG A 1 68  ? 4.25500   -4.82100  19.40000 1.000 29.29257 ?  65  ARG A CA  1 
ATOM   557  C C   . ARG A 1 68  ? 3.97800   -5.63200  18.13900 1.000 30.39986 ?  65  ARG A C   1 
ATOM   558  O O   . ARG A 1 68  ? 4.70100   -5.53300  17.14200 1.000 22.72894 ?  65  ARG A O   1 
ATOM   559  C CB  . ARG A 1 68  ? 3.34600   -3.58100  19.44800 1.000 28.90211 ?  65  ARG A CB  1 
ATOM   560  C CG  . ARG A 1 68  ? 3.44400   -2.71500  18.22500 1.000 33.42882 ?  65  ARG A CG  1 
ATOM   561  C CD  . ARG A 1 68  ? 2.45600   -1.56700  18.28100 1.000 45.29979 ?  65  ARG A CD  1 
ATOM   562  N NE  . ARG A 1 68  ? 2.99800   -0.40600  18.97600 1.000 52.62885 ?  65  ARG A NE  1 
ATOM   563  C CZ  . ARG A 1 68  ? 2.69800   -0.07200  20.22200 1.000 52.07773 ?  65  ARG A CZ  1 
ATOM   564  N NH1 . ARG A 1 68  ? 1.86200   -0.79500  20.94900 1.000 54.26433 ?  65  ARG A NH1 1 
ATOM   565  N NH2 . ARG A 1 68  ? 3.24500   1.02000   20.74900 1.000 50.48593 ?  65  ARG A NH2 1 
ATOM   566  N N   . GLU A 1 69  ? 2.93200   -6.45300  18.20800 1.000 23.87228 ?  66  GLU A N   1 
ATOM   567  C CA  . GLU A 1 69  ? 2.40600   -7.17600  17.05600 1.000 27.28374 ?  66  GLU A CA  1 
ATOM   568  C C   . GLU A 1 69  ? 0.90500   -6.94300  16.99800 1.000 30.68640 ?  66  GLU A C   1 
ATOM   569  O O   . GLU A 1 69  ? 0.23500   -6.96400  18.03600 1.000 30.81075 ?  66  GLU A O   1 
ATOM   570  C CB  . GLU A 1 69  ? 2.67600   -8.68700  17.15000 1.000 34.01848 ?  66  GLU A CB  1 
ATOM   571  C CG  . GLU A 1 69  ? 4.12800   -9.11800  17.07700 1.000 30.07880 ?  66  GLU A CG  1 
ATOM   572  C CD  . GLU A 1 69  ? 4.30500   -10.61800 17.33900 1.000 35.07200 ?  66  GLU A CD  1 
ATOM   573  O OE1 . GLU A 1 69  ? 3.53000   -11.17600 18.14000 1.000 37.22293 ?  66  GLU A OE1 1 
ATOM   574  O OE2 . GLU A 1 69  ? 5.20500   -11.24300 16.73200 1.000 34.72546 -1 66  GLU A OE2 1 
ATOM   575  N N   . ARG A 1 70  ? 0.37400   -6.71400  15.79400 1.000 26.96477 ?  67  ARG A N   1 
ATOM   576  C CA  . ARG A 1 70  ? -1.06400  -6.55300  15.60800 1.000 31.32582 ?  67  ARG A CA  1 
ATOM   577  C C   . ARG A 1 70  ? -1.51900  -7.38400  14.41700 1.000 34.01293 ?  67  ARG A C   1 
ATOM   578  O O   . ARG A 1 70  ? -0.86600  -7.38800  13.36900 1.000 27.20601 ?  67  ARG A O   1 
ATOM   579  C CB  . ARG A 1 70  ? -1.44400  -5.07300  15.40000 1.000 36.13434 ?  67  ARG A CB  1 
ATOM   580  C CG  . ARG A 1 70  ? -0.80500  -4.13100  16.41500 1.000 47.96353 ?  67  ARG A CG  1 
ATOM   581  C CD  . ARG A 1 70  ? -1.60600  -2.84400  16.60500 1.000 71.74479 ?  67  ARG A CD  1 
ATOM   582  N NE  . ARG A 1 70  ? -1.60700  -1.97900  15.43100 1.000 78.13479 ?  67  ARG A NE  1 
ATOM   583  C CZ  . ARG A 1 70  ? -0.68400  -1.06000  15.17800 1.000 81.26479 ?  67  ARG A CZ  1 
ATOM   584  N NH1 . ARG A 1 70  ? 0.37400   -0.91100  15.95700 1.000 74.01479 ?  67  ARG A NH1 1 
ATOM   585  N NH2 . ARG A 1 70  ? -0.82900  -0.26800  14.11900 1.000 83.80479 ?  67  ARG A NH2 1 
ATOM   586  N N   . TYR A 1 71  ? -2.63300  -8.09700  14.58600 1.000 34.59443 ?  68  TYR A N   1 
ATOM   587  C CA  . TYR A 1 71  ? -3.16800  -8.98200  13.55800 1.000 39.80435 ?  68  TYR A CA  1 
ATOM   588  C C   . TYR A 1 71  ? -4.47100  -8.42300  13.00800 1.000 37.77362 ?  68  TYR A C   1 
ATOM   589  O O   . TYR A 1 71  ? -5.35200  -8.01700  13.77300 1.000 38.02508 ?  68  TYR A O   1 
ATOM   590  C CB  . TYR A 1 71  ? -3.41300  -10.39600 14.09700 1.000 42.15967 ?  68  TYR A CB  1 
ATOM   591  C CG  . TYR A 1 71  ? -4.19700  -11.26700 13.13500 1.000 48.18912 ?  68  TYR A CG  1 
ATOM   592  C CD1 . TYR A 1 71  ? -3.56600  -11.88900 12.06700 1.000 48.25085 ?  68  TYR A CD1 1 
ATOM   593  C CD2 . TYR A 1 71  ? -5.56700  -11.45700 13.28800 1.000 49.52895 ?  68  TYR A CD2 1 
ATOM   594  C CE1 . TYR A 1 71  ? -4.27500  -12.67800 11.17500 1.000 54.05843 ?  68  TYR A CE1 1 
ATOM   595  C CE2 . TYR A 1 71  ? -6.28400  -12.24300 12.40100 1.000 49.11260 ?  68  TYR A CE2 1 
ATOM   596  C CZ  . TYR A 1 71  ? -5.63100  -12.85100 11.34800 1.000 53.20727 ?  68  TYR A CZ  1 
ATOM   597  O OH  . TYR A 1 71  ? -6.32500  -13.63900 10.45600 1.000 55.58490 ?  68  TYR A OH  1 
ATOM   598  N N   . GLU A 1 72  ? -4.58300  -8.41000  11.68300 1.000 35.72246 ?  69  GLU A N   1 
ATOM   599  C CA  . GLU A 1 72  ? -5.84400  -8.18900  10.99400 1.000 38.64844 ?  69  GLU A CA  1 
ATOM   600  C C   . GLU A 1 72  ? -5.92800  -9.18900  9.85100  1.000 37.75451 ?  69  GLU A C   1 
ATOM   601  O O   . GLU A 1 72  ? -4.92000  -9.76900  9.43900  1.000 37.37010 ?  69  GLU A O   1 
ATOM   602  C CB  . GLU A 1 72  ? -5.97800  -6.75600  10.45400 1.000 35.80843 ?  69  GLU A CB  1 
ATOM   603  C CG  . GLU A 1 72  ? -6.00500  -5.67700  11.52400 1.000 46.26758 ?  69  GLU A CG  1 
ATOM   604  C CD  . GLU A 1 72  ? -5.66700  -4.31000  10.96400 1.000 53.70790 ?  69  GLU A CD  1 
ATOM   605  O OE1 . GLU A 1 72  ? -4.59600  -4.18300  10.32600 1.000 44.03955 ?  69  GLU A OE1 1 
ATOM   606  O OE2 . GLU A 1 72  ? -6.47000  -3.37000  11.15600 1.000 58.80503 -1 69  GLU A OE2 1 
ATOM   607  N N   . ASP A 1 73  ? -7.14900  -9.39200  9.35200  1.000 37.18496 ?  70  ASP A N   1 
ATOM   608  C CA  . ASP A 1 73  ? -7.39500  -10.29500 8.23100  1.000 36.59771 ?  70  ASP A CA  1 
ATOM   609  C C   . ASP A 1 73  ? -6.46900  -9.95900  7.06900  1.000 24.93966 ?  70  ASP A C   1 
ATOM   610  O O   . ASP A 1 73  ? -6.65300  -8.93500  6.40000  1.000 34.34288 ?  70  ASP A O   1 
ATOM   611  C CB  . ASP A 1 73  ? -8.86300  -10.20800 7.79600  1.000 39.83908 ?  70  ASP A CB  1 
ATOM   612  C CG  . ASP A 1 73  ? -9.27700  -11.34000 6.86700  1.000 42.17630 ?  70  ASP A CG  1 
ATOM   613  O OD1 . ASP A 1 73  ? -8.41200  -11.91500 6.17200  1.000 41.59705 ?  70  ASP A OD1 1 
ATOM   614  O OD2 . ASP A 1 73  ? -10.48700 -11.65000 6.82900  1.000 47.75453 -1 70  ASP A OD2 1 
ATOM   615  N N   . GLY A 1 74  ? -5.45900  -10.80200 6.84500  1.000 31.48778 ?  71  GLY A N   1 
ATOM   616  C CA  . GLY A 1 74  ? -4.53900  -10.64100 5.73500  1.000 31.90865 ?  71  GLY A CA  1 
ATOM   617  C C   . GLY A 1 74  ? -3.51900  -9.53300  5.88100  1.000 31.35624 ?  71  GLY A C   1 
ATOM   618  O O   . GLY A 1 74  ? -2.84000  -9.20600  4.89800  1.000 27.28232 ?  71  GLY A O   1 
ATOM   619  N N   . VAL A 1 75  ? -3.39200  -8.93600  7.06700  1.000 24.96569 ?  72  VAL A N   1 
ATOM   620  C CA  . VAL A 1 75  ? -2.46000  -7.83200  7.30200  1.000 23.59861 ?  72  VAL A CA  1 
ATOM   621  C C   . VAL A 1 75  ? -1.85300  -8.01900  8.69000  1.000 30.57554 ?  72  VAL A C   1 
ATOM   622  O O   . VAL A 1 75  ? -2.56700  -7.95600  9.69600  1.000 24.82155 ?  72  VAL A O   1 
ATOM   623  C CB  . VAL A 1 75  ? -3.12900  -6.45300  7.20100  1.000 25.97385 ?  72  VAL A CB  1 
ATOM   624  C CG1 . VAL A 1 75  ? -2.12800  -5.37600  7.56200  1.000 23.60612 ?  72  VAL A CG1 1 
ATOM   625  C CG2 . VAL A 1 75  ? -3.70700  -6.20000  5.78500  1.000 24.80663 ?  72  VAL A CG2 1 
ATOM   626  N N   . TYR A 1 76  ? -0.54400  -8.23700  8.75000  1.000 23.95426 ?  73  TYR A N   1 
ATOM   627  C CA  . TYR A 1 76  ? 0.15800   -8.43900  10.01000 1.000 25.50080 ?  73  TYR A CA  1 
ATOM   628  C C   . TYR A 1 76  ? 1.16700   -7.31600  10.18900 1.000 25.25591 ?  73  TYR A C   1 
ATOM   629  O O   . TYR A 1 76  ? 2.04800   -7.13600  9.33800  1.000 21.23428 ?  73  TYR A O   1 
ATOM   630  C CB  . TYR A 1 76  ? 0.85800   -9.79600  10.03200 1.000 28.78666 ?  73  TYR A CB  1 
ATOM   631  C CG  . TYR A 1 76  ? 1.29200   -10.21500 11.41600 1.000 38.38307 ?  73  TYR A CG  1 
ATOM   632  C CD1 . TYR A 1 76  ? 0.37600   -10.25600 12.46200 1.000 40.11625 ?  73  TYR A CD1 1 
ATOM   633  C CD2 . TYR A 1 76  ? 2.61200   -10.57500 11.68100 1.000 41.02928 ?  73  TYR A CD2 1 
ATOM   634  C CE1 . TYR A 1 76  ? 0.75900   -10.63900 13.73600 1.000 42.44385 ?  73  TYR A CE1 1 
ATOM   635  C CE2 . TYR A 1 76  ? 3.00300   -10.96200 12.95200 1.000 33.70479 ?  73  TYR A CE2 1 
ATOM   636  C CZ  . TYR A 1 76  ? 2.07100   -10.99200 13.97600 1.000 38.08417 ?  73  TYR A CZ  1 
ATOM   637  O OH  . TYR A 1 76  ? 2.43900   -11.38100 15.24800 1.000 49.82416 ?  73  TYR A OH  1 
ATOM   638  N N   . THR A 1 77  ? 1.05300   -6.58500  11.30300 1.000 22.43705 ?  74  THR A N   1 
ATOM   639  C CA  . THR A 1 77  ? 1.88400   -5.41900  11.59100 1.000 22.17730 ?  74  THR A CA  1 
ATOM   640  C C   . THR A 1 77  ? 2.76700   -5.69600  12.80900 1.000 27.61781 ?  74  THR A C   1 
ATOM   641  O O   . THR A 1 77  ? 2.26500   -6.10100  13.86200 1.000 21.62726 ?  74  THR A O   1 
ATOM   642  C CB  . THR A 1 77  ? 1.01400   -4.17900  11.83400 1.000 26.24119 ?  74  THR A CB  1 
ATOM   643  O OG1 . THR A 1 77  ? 0.13400   -3.97700  10.71700 1.000 25.53561 ?  74  THR A OG1 1 
ATOM   644  C CG2 . THR A 1 77  ? 1.88400   -2.93500  12.00000 1.000 28.30148 ?  74  THR A CG2 1 
ATOM   645  N N   . VAL A 1 78  ? 4.08100   -5.49800  12.65700 1.000 21.78396 ?  75  VAL A N   1 
ATOM   646  C CA  . VAL A 1 78  ? 5.04200   -5.67700  13.74300 1.000 23.26285 ?  75  VAL A CA  1 
ATOM   647  C C   . VAL A 1 78  ? 5.87100   -4.40700  13.85500 1.000 21.76565 ?  75  VAL A C   1 
ATOM   648  O O   . VAL A 1 78  ? 6.22600   -3.80200  12.83900 1.000 22.36190 ?  75  VAL A O   1 
ATOM   649  C CB  . VAL A 1 78  ? 5.95700   -6.90300  13.50700 1.000 23.05389 ?  75  VAL A CB  1 
ATOM   650  C CG1 . VAL A 1 78  ? 6.99200   -7.03100  14.62400 1.000 27.69657 ?  75  VAL A CG1 1 
ATOM   651  C CG2 . VAL A 1 78  ? 5.14000   -8.19000  13.39400 1.000 21.53072 ?  75  VAL A CG2 1 
ATOM   652  N N   . GLU A 1 79  ? 6.19000   -4.00400  15.08700 1.000 20.70535 ?  76  GLU A N   1 
ATOM   653  C CA  . GLU A 1 79  ? 7.10500   -2.89500  15.33600 1.000 21.87134 ?  76  GLU A CA  1 
ATOM   654  C C   . GLU A 1 79  ? 8.24700   -3.38700  16.21800 1.000 19.55707 ?  76  GLU A C   1 
ATOM   655  O O   . GLU A 1 79  ? 8.00200   -3.88500  17.31700 1.000 18.09971 ?  76  GLU A O   1 
ATOM   656  C CB  . GLU A 1 79  ? 6.37600   -1.73200  16.00800 1.000 24.98243 ?  76  GLU A CB  1 
ATOM   657  C CG  . GLU A 1 79  ? 7.26600   -0.53400  16.32500 1.000 27.23332 ?  76  GLU A CG  1 
ATOM   658  C CD  . GLU A 1 79  ? 6.53200   0.53900   17.10200 1.000 28.04163 ?  76  GLU A CD  1 
ATOM   659  O OE1 . GLU A 1 79  ? 5.29000   0.45300   17.21100 1.000 37.87828 ?  76  GLU A OE1 1 
ATOM   660  O OE2 . GLU A 1 79  ? 7.20000   1.46000   17.62300 1.000 32.56466 -1 76  GLU A OE2 1 
ATOM   661  N N   . ASP A 1 80  ? 9.49000   -3.23500  15.74900 1.000 15.99121 ?  77  ASP A N   1 
ATOM   662  C CA  . ASP A 1 80  ? 10.64800  -3.66800  16.52500 1.000 20.09421 ?  77  ASP A CA  1 
ATOM   663  C C   . ASP A 1 80  ? 11.77600  -2.65000  16.34900 1.000 18.78822 ?  77  ASP A C   1 
ATOM   664  O O   . ASP A 1 80  ? 11.63500  -1.65400  15.62600 1.000 19.66204 ?  77  ASP A O   1 
ATOM   665  C CB  . ASP A 1 80  ? 11.07000  -5.10800  16.15900 1.000 19.22976 ?  77  ASP A CB  1 
ATOM   666  C CG  . ASP A 1 80  ? 11.25200  -5.33100  14.65500 1.000 27.33220 ?  77  ASP A CG  1 
ATOM   667  O OD1 . ASP A 1 80  ? 11.62500  -4.39500  13.91600 1.000 19.65202 ?  77  ASP A OD1 1 
ATOM   668  O OD2 . ASP A 1 80  ? 11.01000  -6.47500  14.20600 1.000 24.23910 -1 77  ASP A OD2 1 
ATOM   669  N N   . ILE A 1 81  ? 12.86900  -2.85800  17.09100 1.000 16.30079 ?  78  ILE A N   1 
ATOM   670  C CA  . ILE A 1 81  ? 14.04000  -1.98900  17.07100 1.000 17.21070 ?  78  ILE A CA  1 
ATOM   671  C C   . ILE A 1 81  ? 15.19600  -2.81400  16.53700 1.000 13.49547 ?  78  ILE A C   1 
ATOM   672  O O   . ILE A 1 81  ? 15.43800  -3.92400  17.02300 1.000 13.92307 ?  78  ILE A O   1 
ATOM   673  C CB  . ILE A 1 81  ? 14.37500  -1.44400  18.47700 1.000 16.07632 ?  78  ILE A CB  1 
ATOM   674  C CG1 . ILE A 1 81  ? 13.14700  -0.80600  19.14100 1.000 20.87876 ?  78  ILE A CG1 1 
ATOM   675  C CG2 . ILE A 1 81  ? 15.54200  -0.48700  18.42700 1.000 16.07776 ?  78  ILE A CG2 1 
ATOM   676  C CD1 . ILE A 1 81  ? 12.54000  0.35700   18.34700 1.000 23.54783 ?  78  ILE A CD1 1 
ATOM   677  N N   . VAL A 1 82  ? 15.90000  -2.28800  15.52800 1.000 15.76339 ?  79  VAL A N   1 
ATOM   678  C CA  . VAL A 1 82  ? 17.01600  -2.99400  14.90900 1.000 13.76132 ?  79  VAL A CA  1 
ATOM   679  C C   . VAL A 1 82  ? 18.21400  -2.05600  14.83100 1.000 17.31660 ?  79  VAL A C   1 
ATOM   680  O O   . VAL A 1 82  ? 18.10600  -0.84700  15.06200 1.000 17.90455 ?  79  VAL A O   1 
ATOM   681  C CB  . VAL A 1 82  ? 16.66400  -3.54100  13.50600 1.000 17.35995 ?  79  VAL A CB  1 
ATOM   682  C CG1 . VAL A 1 82  ? 15.48900  -4.53600  13.57500 1.000 16.71068 ?  79  VAL A CG1 1 
ATOM   683  C CG2 . VAL A 1 82  ? 16.34800  -2.38300  12.53800 1.000 17.88990 ?  79  VAL A CG2 1 
ATOM   684  N N   . SER A 1 83  ? 19.36800  -2.62900  14.49400 1.000 16.39125 ?  80  SER A N   1 
ATOM   685  C CA  A SER A 1 83  ? 20.58600  -1.84400  14.34100 0.584 18.28070 ?  80  SER A CA  1 
ATOM   686  C CA  B SER A 1 83  ? 20.59800  -1.86300  14.35800 0.416 18.39192 ?  80  SER A CA  1 
ATOM   687  C C   . SER A 1 83  ? 21.35100  -2.32400  13.12000 1.000 21.78500 ?  80  SER A C   1 
ATOM   688  O O   . SER A 1 83  ? 21.07400  -3.38300  12.55500 1.000 15.15739 ?  80  SER A O   1 
ATOM   689  C CB  A SER A 1 83  ? 21.47300  -1.91800  15.59800 0.584 17.03200 ?  80  SER A CB  1 
ATOM   690  C CB  B SER A 1 83  ? 21.47600  -2.00100  15.60900 0.416 16.98069 ?  80  SER A CB  1 
ATOM   691  O OG  A SER A 1 83  ? 22.23300  -3.11200  15.63400 0.584 21.25074 ?  80  SER A OG  1 
ATOM   692  O OG  B SER A 1 83  ? 22.59700  -1.14800  15.52500 0.416 19.53112 ?  80  SER A OG  1 
ATOM   693  N N   . ARG A 1 84  ? 22.32400  -1.51700  12.69500 1.000 21.30930 ?  81  ARG A N   1 
ATOM   694  C CA  . ARG A 1 84  ? 23.19800  -1.86000  11.58500 1.000 20.96295 ?  81  ARG A CA  1 
ATOM   695  C C   . ARG A 1 84  ? 24.64400  -1.97700  12.06300 1.000 30.12737 ?  81  ARG A C   1 
ATOM   696  O O   . ARG A 1 84  ? 24.98400  -1.63300  13.20300 1.000 29.61799 ?  81  ARG A O   1 
ATOM   697  C CB  . ARG A 1 84  ? 23.10100  -0.82300  10.45700 1.000 30.24112 ?  81  ARG A CB  1 
ATOM   698  C CG  . ARG A 1 84  ? 21.67400  -0.55100  9.99400  1.000 29.12370 ?  81  ARG A CG  1 
ATOM   699  C CD  . ARG A 1 84  ? 21.63800  0.18100   8.67100  1.000 31.13066 ?  81  ARG A CD  1 
ATOM   700  N NE  . ARG A 1 84  ? 22.46500  1.38500   8.64000  1.000 38.05691 ?  81  ARG A NE  1 
ATOM   701  C CZ  . ARG A 1 84  ? 22.23700  2.41600   7.83200  1.000 31.83292 ?  81  ARG A CZ  1 
ATOM   702  N NH1 . ARG A 1 84  ? 21.15800  2.47100   7.07100  1.000 30.62324 ?  81  ARG A NH1 1 
ATOM   703  N NH2 . ARG A 1 84  ? 23.10600  3.42100   7.79500  1.000 34.48405 ?  81  ARG A NH2 1 
ATOM   704  N N   . ASP A 1 85  ? 25.49900  -2.49100  11.16800 1.000 29.64348 ?  82  ASP A N   1 
ATOM   705  C CA  . ASP A 1 85  ? 26.92900  -2.59400  11.46700 1.000 32.32207 ?  82  ASP A CA  1 
ATOM   706  C C   . ASP A 1 85  ? 27.50400  -1.24500  11.87600 1.000 32.50117 ?  82  ASP A C   1 
ATOM   707  O O   . ASP A 1 85  ? 28.34100  -1.15200  12.78500 1.000 34.06790 ?  82  ASP A O   1 
ATOM   708  C CB  . ASP A 1 85  ? 27.69500  -3.12000  10.24900 1.000 32.49819 ?  82  ASP A CB  1 
ATOM   709  C CG  . ASP A 1 85  ? 27.87300  -4.62800  10.26200 1.000 38.77312 ?  82  ASP A CG  1 
ATOM   710  O OD1 . ASP A 1 85  ? 27.79100  -5.24500  11.34800 1.000 43.99092 ?  82  ASP A OD1 1 
ATOM   711  O OD2 . ASP A 1 85  ? 28.12800  -5.18800  9.17800  1.000 39.03292 -1 82  ASP A OD2 1 
ATOM   712  N N   . ASP A 1 86  ? 27.06800  -0.18600  11.21400 1.000 26.16431 ?  83  ASP A N   1 
ATOM   713  C CA  . ASP A 1 86  ? 27.70800  1.10300   11.39000 1.000 28.92707 ?  83  ASP A CA  1 
ATOM   714  C C   . ASP A 1 86  ? 27.23900  1.83000   12.64000 1.000 36.03959 ?  83  ASP A C   1 
ATOM   715  O O   . ASP A 1 86  ? 27.53100  3.02000   12.78600 1.000 33.60325 ?  83  ASP A O   1 
ATOM   716  C CB  . ASP A 1 86  ? 27.49900  1.95100   10.13400 1.000 26.01010 ?  83  ASP A CB  1 
ATOM   717  C CG  . ASP A 1 86  ? 26.03800  2.18000   9.81700  1.000 36.39592 ?  83  ASP A CG  1 
ATOM   718  O OD1 . ASP A 1 86  ? 25.18200  1.88200   10.67600 1.000 35.36479 ?  83  ASP A OD1 1 
ATOM   719  O OD2 . ASP A 1 86  ? 25.75100  2.68500   8.70700  1.000 42.28820 -1 83  ASP A OD2 1 
ATOM   720  N N   . GLY A 1 87  ? 26.55700  1.13000   13.55000 1.000 29.14513 ?  84  GLY A N   1 
ATOM   721  C CA  . GLY A 1 87  ? 26.10600  1.68800   14.80800 1.000 29.40670 ?  84  GLY A CA  1 
ATOM   722  C C   . GLY A 1 87  ? 24.79800  2.44600   14.77300 1.000 26.57139 ?  84  GLY A C   1 
ATOM   723  O O   . GLY A 1 87  ? 24.44800  3.09400   15.76600 1.000 24.04346 ?  84  GLY A O   1 
ATOM   724  N N   . ARG A 1 88  ? 24.05800  2.40800   13.67200 1.000 21.31446 ?  85  ARG A N   1 
ATOM   725  C CA  . ARG A 1 88  ? 22.83300  3.18900   13.58300 1.000 20.14446 ?  85  ARG A CA  1 
ATOM   726  C C   . ARG A 1 88  ? 21.62500  2.36900   14.01100 1.000 22.35383 ?  85  ARG A C   1 
ATOM   727  O O   . ARG A 1 88  ? 21.51600  1.18100   13.68800 1.000 18.65197 ?  85  ARG A O   1 
ATOM   728  C CB  . ARG A 1 88  ? 22.66200  3.72000   12.16400 1.000 26.86412 ?  85  ARG A CB  1 
ATOM   729  C CG  . ARG A 1 88  ? 23.83000  4.61200   11.80700 1.000 31.16890 ?  85  ARG A CG  1 
ATOM   730  C CD  . ARG A 1 88  ? 23.91600  4.83000   10.32500 1.000 37.74318 ?  85  ARG A CD  1 
ATOM   731  N NE  . ARG A 1 88  ? 22.93400  5.79100   9.84600  1.000 24.66872 ?  85  ARG A NE  1 
ATOM   732  C CZ  . ARG A 1 88  ? 23.09700  7.10200   9.93900  1.000 37.65335 ?  85  ARG A CZ  1 
ATOM   733  N NH1 . ARG A 1 88  ? 24.13800  7.61600   10.56900 1.000 31.10464 ?  85  ARG A NH1 1 
ATOM   734  N NH2 . ARG A 1 88  ? 22.20400  7.91200   9.37600  1.000 27.03502 ?  85  ARG A NH2 1 
ATOM   735  N N   . TYR A 1 89  ? 20.72700  3.01100   14.75500 1.000 14.67069 ?  86  TYR A N   1 
ATOM   736  C CA  . TYR A 1 89  ? 19.57200  2.35700   15.35100 1.000 17.67554 ?  86  TYR A CA  1 
ATOM   737  C C   . TYR A 1 89  ? 18.29800  2.82400   14.65900 1.000 15.66164 ?  86  TYR A C   1 
ATOM   738  O O   . TYR A 1 89  ? 18.17200  4.00400   14.32700 1.000 16.36945 ?  86  TYR A O   1 
ATOM   739  C CB  . TYR A 1 89  ? 19.50100  2.66200   16.84900 1.000 18.91121 ?  86  TYR A CB  1 
ATOM   740  C CG  . TYR A 1 89  ? 20.74300  2.23300   17.61200 1.000 19.08060 ?  86  TYR A CG  1 
ATOM   741  C CD1 . TYR A 1 89  ? 21.09300  0.88600   17.72100 1.000 18.09566 ?  86  TYR A CD1 1 
ATOM   742  C CD2 . TYR A 1 89  ? 21.56400  3.17400   18.22800 1.000 21.78796 ?  86  TYR A CD2 1 
ATOM   743  C CE1 . TYR A 1 89  ? 22.23000  0.48500   18.42400 1.000 20.14099 ?  86  TYR A CE1 1 
ATOM   744  C CE2 . TYR A 1 89  ? 22.71600  2.77800   18.94300 1.000 25.43476 ?  86  TYR A CE2 1 
ATOM   745  C CZ  . TYR A 1 89  ? 23.03800  1.42800   19.03400 1.000 25.24355 ?  86  TYR A CZ  1 
ATOM   746  O OH  . TYR A 1 89  ? 24.16800  1.03500   19.74000 1.000 25.54679 ?  86  TYR A OH  1 
ATOM   747  N N   . TYR A 1 90  ? 17.34600  1.89900   14.45700 1.000 16.13992 ?  87  TYR A N   1 
ATOM   748  C CA  . TYR A 1 90  ? 16.11700  2.17600   13.71800 1.000 16.51049 ?  87  TYR A CA  1 
ATOM   749  C C   . TYR A 1 90  ? 14.89000  1.62800   14.42900 1.000 18.01942 ?  87  TYR A C   1 
ATOM   750  O O   . TYR A 1 90  ? 14.91300  0.52100   14.98100 1.000 20.31902 ?  87  TYR A O   1 
ATOM   751  C CB  . TYR A 1 90  ? 16.17800  1.58300   12.28900 1.000 13.72699 ?  87  TYR A CB  1 
ATOM   752  C CG  . TYR A 1 90  ? 17.22800  2.27500   11.48700 1.000 14.04937 ?  87  TYR A CG  1 
ATOM   753  C CD1 . TYR A 1 90  ? 18.55500  1.85700   11.53000 1.000 17.37475 ?  87  TYR A CD1 1 
ATOM   754  C CD2 . TYR A 1 90  ? 16.91200  3.39800   10.72800 1.000 16.61445 ?  87  TYR A CD2 1 
ATOM   755  C CE1 . TYR A 1 90  ? 19.53400  2.52000   10.82200 1.000 19.62870 ?  87  TYR A CE1 1 
ATOM   756  C CE2 . TYR A 1 90  ? 17.88300  4.06800   10.03800 1.000 17.56456 ?  87  TYR A CE2 1 
ATOM   757  C CZ  . TYR A 1 90  ? 19.19100  3.62500   10.08700 1.000 20.40558 ?  87  TYR A CZ  1 
ATOM   758  O OH  . TYR A 1 90  ? 20.16300  4.28500   9.38500  1.000 19.97833 ?  87  TYR A OH  1 
ATOM   759  N N   . ARG A 1 91  ? 13.81000  2.40700   14.38500 1.000 18.37898 ?  88  ARG A N   1 
ATOM   760  C CA  . ARG A 1 91  ? 12.46900  1.91200   14.68100 1.000 12.14378 ?  88  ARG A CA  1 
ATOM   761  C C   . ARG A 1 91  ? 11.89700  1.33800   13.39000 1.000 20.54851 ?  88  ARG A C   1 
ATOM   762  O O   . ARG A 1 91  ? 11.79500  2.04800   12.38200 1.000 16.46297 ?  88  ARG A O   1 
ATOM   763  C CB  . ARG A 1 91  ? 11.56400  3.02000   15.21200 1.000 17.59573 ?  88  ARG A CB  1 
ATOM   764  C CG  . ARG A 1 91  ? 10.15900  2.53800   15.55700 1.000 21.15048 ?  88  ARG A CG  1 
ATOM   765  C CD  . ARG A 1 91  ? 9.26800   3.67800   16.00500 1.000 25.78695 ?  88  ARG A CD  1 
ATOM   766  N NE  . ARG A 1 91  ? 9.09200   3.64900   17.44800 1.000 36.97219 ?  88  ARG A NE  1 
ATOM   767  C CZ  . ARG A 1 91  ? 9.70200   4.46100   18.29600 1.000 38.74858 ?  88  ARG A CZ  1 
ATOM   768  N NH1 . ARG A 1 91  ? 10.44800  5.46900   17.87300 1.000 36.83492 ?  88  ARG A NH1 1 
ATOM   769  N NH2 . ARG A 1 91  ? 9.55300   4.26000   19.60200 1.000 34.18365 ?  88  ARG A NH2 1 
ATOM   770  N N   . HIS A 1 92  ? 11.52200  0.06500   13.42300 1.000 16.08405 ?  89  HIS A N   1 
ATOM   771  C CA  . HIS A 1 92  ? 11.10600  -0.66600  12.23300 1.000 17.39100 ?  89  HIS A CA  1 
ATOM   772  C C   . HIS A 1 92  ? 9.64200   -1.06400  12.36300 1.000 22.97759 ?  89  HIS A C   1 
ATOM   773  O O   . HIS A 1 92  ? 9.26400   -1.75900  13.31300 1.000 17.47953 ?  89  HIS A O   1 
ATOM   774  C CB  . HIS A 1 92  ? 11.99100  -1.89400  12.04000 1.000 18.50039 ?  89  HIS A CB  1 
ATOM   775  C CG  . HIS A 1 92  ? 11.56800  -2.77500  10.91000 1.000 22.87709 ?  89  HIS A CG  1 
ATOM   776  N ND1 . HIS A 1 92  ? 11.54100  -4.15100  11.01300 1.000 20.61467 ?  89  HIS A ND1 1 
ATOM   777  C CD2 . HIS A 1 92  ? 11.15500  -2.48200  9.65200  1.000 18.80201 ?  89  HIS A CD2 1 
ATOM   778  C CE1 . HIS A 1 92  ? 11.14100  -4.66700  9.86100  1.000 23.96912 ?  89  HIS A CE1 1 
ATOM   779  N NE2 . HIS A 1 92  ? 10.90400  -3.67400  9.01600  1.000 17.07144 ?  89  HIS A NE2 1 
ATOM   780  N N   . THR A 1 93  ? 8.82300   -0.64200  11.39600 1.000 18.10899 ?  90  THR A N   1 
ATOM   781  C CA  . THR A 1 93  ? 7.40900   -0.99900  11.34000 1.000 22.11296 ?  90  THR A CA  1 
ATOM   782  C C   . THR A 1 93  ? 7.20800   -1.79700  10.05700 1.000 20.37495 ?  90  THR A C   1 
ATOM   783  O O   . THR A 1 93  ? 7.34200   -1.25100  8.95400  1.000 19.88209 ?  90  THR A O   1 
ATOM   784  C CB  . THR A 1 93  ? 6.50600   0.23600   11.38100 1.000 22.43842 ?  90  THR A CB  1 
ATOM   785  O OG1 . THR A 1 93  ? 6.72000   0.96200   12.60200 1.000 22.26062 ?  90  THR A OG1 1 
ATOM   786  C CG2 . THR A 1 93  ? 5.04400   -0.19400  11.33200 1.000 25.12730 ?  90  THR A CG2 1 
ATOM   787  N N   . SER A 1 94  ? 6.90200   -3.08300  10.19200 1.000 14.62630 ?  91  SER A N   1 
ATOM   788  C CA  A SER A 1 94  ? 6.68500   -3.94700  9.04100  0.539 17.53681 ?  91  SER A CA  1 
ATOM   789  C CA  B SER A 1 94  ? 6.69700   -3.99600  9.06800  0.461 17.61016 ?  91  SER A CA  1 
ATOM   790  C C   . SER A 1 94  ? 5.21700   -4.32200  8.94700  1.000 17.79800 ?  91  SER A C   1 
ATOM   791  O O   . SER A 1 94  ? 4.56400   -4.61600  9.95200  1.000 20.43808 ?  91  SER A O   1 
ATOM   792  C CB  A SER A 1 94  ? 7.54300   -5.20500  9.12000  0.539 21.32149 ?  91  SER A CB  1 
ATOM   793  C CB  B SER A 1 94  ? 7.50800   -5.28500  9.26100  0.461 21.25741 ?  91  SER A CB  1 
ATOM   794  O OG  A SER A 1 94  ? 7.21600   -5.95400  10.26900 0.539 18.57894 ?  91  SER A OG  1 
ATOM   795  O OG  B SER A 1 94  ? 7.12800   -6.32600  8.36300  0.461 17.82529 ?  91  SER A OG  1 
ATOM   796  N N   . THR A 1 95  ? 4.69000   -4.27400  7.72900  1.000 17.82768 ?  92  THR A N   1 
ATOM   797  C CA  . THR A 1 95  ? 3.28700   -4.55600  7.44100  1.000 20.65203 ?  92  THR A CA  1 
ATOM   798  C C   . THR A 1 95  ? 3.27100   -5.59600  6.32300  1.000 19.99206 ?  92  THR A C   1 
ATOM   799  O O   . THR A 1 95  ? 3.59000   -5.27800  5.17200  1.000 18.46030 ?  92  THR A O   1 
ATOM   800  C CB  . THR A 1 95  ? 2.53100   -3.28600  7.02200  1.000 19.10779 ?  92  THR A CB  1 
ATOM   801  O OG1 . THR A 1 95  ? 2.64000   -2.27200  8.04100  1.000 17.22065 ?  92  THR A OG1 1 
ATOM   802  C CG2 . THR A 1 95  ? 1.05900   -3.56900  6.78100  1.000 17.98319 ?  92  THR A CG2 1 
ATOM   803  N N   . LEU A 1 96  ? 2.94100   -6.83900  6.67200  1.000 17.80247 ?  93  LEU A N   1 
ATOM   804  C CA  . LEU A 1 96  ? 2.85800   -7.94400  5.71900  1.000 16.61895 ?  93  LEU A CA  1 
ATOM   805  C C   . LEU A 1 96  ? 1.43800   -8.03000  5.17100  1.000 17.99708 ?  93  LEU A C   1 
ATOM   806  O O   . LEU A 1 96  ? 0.49600   -8.26800  5.93700  1.000 20.07854 ?  93  LEU A O   1 
ATOM   807  C CB  . LEU A 1 96  ? 3.22200   -9.26600  6.40500  1.000 22.20296 ?  93  LEU A CB  1 
ATOM   808  C CG  . LEU A 1 96  ? 4.59900   -9.89300  6.22200  1.000 29.63247 ?  93  LEU A CG  1 
ATOM   809  C CD1 . LEU A 1 96  ? 4.59000   -11.29800 6.84500  1.000 32.75435 ?  93  LEU A CD1 1 
ATOM   810  C CD2 . LEU A 1 96  ? 4.96000   -9.96000  4.75000  1.000 23.52919 ?  93  LEU A CD2 1 
ATOM   811  N N   . ARG A 1 97  ? 1.27700   -7.85900  3.85100  1.000 18.55585 ?  94  ARG A N   1 
ATOM   812  C CA  . ARG A 1 97  ? -0.04400  -7.82100  3.22700  1.000 17.73543 ?  94  ARG A CA  1 
ATOM   813  C C   . ARG A 1 97  ? -0.23400  -9.02000  2.30300  1.000 17.29244 ?  94  ARG A C   1 
ATOM   814  O O   . ARG A 1 97  ? 0.50600   -9.17400  1.32900  1.000 19.57144 ?  94  ARG A O   1 
ATOM   815  C CB  . ARG A 1 97  ? -0.24100  -6.52800  2.43400  1.000 16.63240 ?  94  ARG A CB  1 
ATOM   816  C CG  . ARG A 1 97  ? -0.09200  -5.26000  3.30100  1.000 15.51187 ?  94  ARG A CG  1 
ATOM   817  C CD  . ARG A 1 97  ? -0.40000  -3.99500  2.51100  1.000 18.93289 ?  94  ARG A CD  1 
ATOM   818  N NE  . ARG A 1 97  ? -0.46100  -2.83600  3.39800  1.000 18.04317 ?  94  ARG A NE  1 
ATOM   819  C CZ  . ARG A 1 97  ? -1.53100  -2.46900  4.09400  1.000 22.76452 ?  94  ARG A CZ  1 
ATOM   820  N NH1 . ARG A 1 97  ? -2.68100  -3.11400  3.99000  1.000 25.11822 ?  94  ARG A NH1 1 
ATOM   821  N NH2 . ARG A 1 97  ? -1.44100  -1.42900  4.92800  1.000 23.12897 ?  94  ARG A NH2 1 
ATOM   822  N N   . ARG A 1 98  ? -1.23100  -9.84800  2.60400  1.000 17.32581 ?  95  ARG A N   1 
ATOM   823  C CA  . ARG A 1 98  ? -1.58400  -10.96200 1.72600  1.000 19.76030 ?  95  ARG A CA  1 
ATOM   824  C C   . ARG A 1 98  ? -2.19600  -10.44100 0.43600  1.000 18.84556 ?  95  ARG A C   1 
ATOM   825  O O   . ARG A 1 98  ? -3.00100  -9.50100  0.44400  1.000 22.51128 ?  95  ARG A O   1 
ATOM   826  C CB  . ARG A 1 98  ? -2.56200  -11.90500 2.42200  1.000 20.40271 ?  95  ARG A CB  1 
ATOM   827  C CG  . ARG A 1 98  ? -2.73900  -13.26400 1.72400  1.000 23.18878 ?  95  ARG A CG  1 
ATOM   828  C CD  . ARG A 1 98  ? -3.72800  -14.13000 2.49600  1.000 25.52339 ?  95  ARG A CD  1 
ATOM   829  N NE  . ARG A 1 98  ? -5.04500  -13.51300 2.45500  1.000 31.10708 ?  95  ARG A NE  1 
ATOM   830  C CZ  . ARG A 1 98  ? -5.94100  -13.58000 3.42600  1.000 37.00814 ?  95  ARG A CZ  1 
ATOM   831  N NH1 . ARG A 1 98  ? -5.70300  -14.25300 4.54000  1.000 37.11976 ?  95  ARG A NH1 1 
ATOM   832  N NH2 . ARG A 1 98  ? -7.09600  -12.94200 3.28200  1.000 31.29250 ?  95  ARG A NH2 1 
ATOM   833  N N   . GLN A 1 99  ? -1.79300  -11.03700 -0.67300 1.000 17.89188 ?  96  GLN A N   1 
ATOM   834  C CA  . GLN A 1 99  ? -2.24400  -10.67500 -2.00800 1.000 19.34279 ?  96  GLN A CA  1 
ATOM   835  C C   . GLN A 1 99  ? -3.32000  -11.64300 -2.48200 1.000 17.40793 ?  96  GLN A C   1 
ATOM   836  O O   . GLN A 1 99  ? -3.47600  -12.74100 -1.93200 1.000 18.10005 ?  96  GLN A O   1 
ATOM   837  C CB  . GLN A 1 99  ? -1.05600  -10.68400 -2.98400 1.000 19.09634 ?  96  GLN A CB  1 
ATOM   838  C CG  . GLN A 1 99  ? 0.14200   -9.82500  -2.52300 1.000 21.08588 ?  96  GLN A CG  1 
ATOM   839  C CD  . GLN A 1 99  ? -0.19700  -8.34300  -2.46200 1.000 19.75108 ?  96  GLN A CD  1 
ATOM   840  O OE1 . GLN A 1 99  ? -0.07900  -7.69300  -1.41100 1.000 23.93478 ?  96  GLN A OE1 1 
ATOM   841  N NE2 . GLN A 1 99  ? -0.62000  -7.79800  -3.58700 1.000 16.89262 ?  96  GLN A NE2 1 
ATOM   842  N N   . PRO A 1 100 ? -4.08100  -11.27000 -3.52200 1.000 21.20781 ?  97  PRO A N   1 
ATOM   843  C CA  . PRO A 1 100 ? -5.10800  -12.19000 -4.04500 1.000 21.64712 ?  97  PRO A CA  1 
ATOM   844  C C   . PRO A 1 100 ? -4.61000  -13.59300 -4.34100 1.000 20.87211 ?  97  PRO A C   1 
ATOM   845  O O   . PRO A 1 100 ? -5.36200  -14.55100 -4.11400 1.000 22.20974 ?  97  PRO A O   1 
ATOM   846  C CB  . PRO A 1 100 ? -5.57600  -11.48000 -5.32400 1.000 26.27486 ?  97  PRO A CB  1 
ATOM   847  C CG  . PRO A 1 100 ? -5.42200  -10.02600 -4.98200 1.000 21.71552 ?  97  PRO A CG  1 
ATOM   848  C CD  . PRO A 1 100 ? -4.17100  -9.93400  -4.13700 1.000 21.68251 ?  97  PRO A CD  1 
ATOM   849  N N   . ASP A 1 101 ? -3.38600  -13.74900 -4.84000 1.000 18.89716 ?  98  ASP A N   1 
ATOM   850  C CA  . ASP A 1 101 ? -2.88000  -15.07600 -5.18600 1.000 18.62357 ?  98  ASP A CA  1 
ATOM   851  C C   . ASP A 1 101 ? -2.23600  -15.80000 -4.00400 1.000 20.44829 ?  98  ASP A C   1 
ATOM   852  O O   . ASP A 1 101 ? -1.64000  -16.86600 -4.19300 1.000 19.12210 ?  98  ASP A O   1 
ATOM   853  C CB  . ASP A 1 101 ? -1.88700  -14.99300 -6.35400 1.000 22.56064 ?  98  ASP A CB  1 
ATOM   854  C CG  . ASP A 1 101 ? -0.58000  -14.27400 -6.00600 1.000 25.27294 ?  98  ASP A CG  1 
ATOM   855  O OD1 . ASP A 1 101 ? -0.35000  -13.87500 -4.84200 1.000 25.27648 ?  98  ASP A OD1 1 
ATOM   856  O OD2 . ASP A 1 101 ? 0.24300   -14.11600 -6.93400 1.000 29.97224 -1 98  ASP A OD2 1 
ATOM   857  N N   . GLY A 1 102 ? -2.32600  -15.24400 -2.80100 1.000 14.68578 ?  99  GLY A N   1 
ATOM   858  C CA  . GLY A 1 102 ? -1.79700  -15.90800 -1.62900 1.000 16.01539 ?  99  GLY A CA  1 
ATOM   859  C C   . GLY A 1 102 ? -0.33500  -15.66100 -1.32200 1.000 22.63064 ?  99  GLY A C   1 
ATOM   860  O O   . GLY A 1 102 ? 0.14200   -16.12600 -0.27000 1.000 18.36186 ?  99  GLY A O   1 
ATOM   861  N N   . SER A 1 103 ? 0.40500   -14.97200 -2.19500 1.000 19.50551 ?  100 SER A N   1 
ATOM   862  C CA  . SER A 1 103 ? 1.70400   -14.47000 -1.76500 1.000 20.02595 ?  100 SER A CA  1 
ATOM   863  C C   . SER A 1 103 ? 1.51900   -13.27800 -0.81900 1.000 18.52548 ?  100 SER A C   1 
ATOM   864  O O   . SER A 1 103 ? 0.41600   -12.75900 -0.64000 1.000 18.84539 ?  100 SER A O   1 
ATOM   865  C CB  . SER A 1 103 ? 2.56700   -14.07200 -2.97000 1.000 17.81939 ?  100 SER A CB  1 
ATOM   866  O OG  . SER A 1 103 ? 1.99300   -12.99800 -3.70500 1.000 21.28792 ?  100 SER A OG  1 
ATOM   867  N N   . TYR A 1 104 ? 2.61200   -12.87000 -0.17400 1.000 17.22699 ?  101 TYR A N   1 
ATOM   868  C CA  . TYR A 1 104 ? 2.63800   -11.69300 0.69300  1.000 16.40290 ?  101 TYR A CA  1 
ATOM   869  C C   . TYR A 1 104 ? 3.63800   -10.66300 0.16700  1.000 18.11969 ?  101 TYR A C   1 
ATOM   870  O O   . TYR A 1 104 ? 4.66200   -11.01800 -0.42300 1.000 19.74593 ?  101 TYR A O   1 
ATOM   871  C CB  . TYR A 1 104 ? 3.00500   -12.07600 2.15500  1.000 16.91919 ?  101 TYR A CB  1 
ATOM   872  C CG  . TYR A 1 104 ? 1.94300   -12.88500 2.88000  1.000 19.58592 ?  101 TYR A CG  1 
ATOM   873  C CD1 . TYR A 1 104 ? 1.86800   -14.26400 2.71900  1.000 23.57835 ?  101 TYR A CD1 1 
ATOM   874  C CD2 . TYR A 1 104 ? 1.01200   -12.27000 3.71900  1.000 22.91437 ?  101 TYR A CD2 1 
ATOM   875  C CE1 . TYR A 1 104 ? 0.90200   -15.01300 3.36000  1.000 22.73333 ?  101 TYR A CE1 1 
ATOM   876  C CE2 . TYR A 1 104 ? 0.03900   -13.02500 4.37900  1.000 22.81511 ?  101 TYR A CE2 1 
ATOM   877  C CZ  . TYR A 1 104 ? -0.00900  -14.39200 4.18300  1.000 25.94010 ?  101 TYR A CZ  1 
ATOM   878  O OH  . TYR A 1 104 ? -0.95400  -15.17000 4.82300  1.000 30.67036 ?  101 TYR A OH  1 
ATOM   879  N N   . VAL A 1 105 ? 3.34300   -9.37700  0.39500  1.000 17.81735 ?  102 VAL A N   1 
ATOM   880  C CA  . VAL A 1 105 ? 4.28200   -8.28000  0.15800  1.000 19.78086 ?  102 VAL A CA  1 
ATOM   881  C C   . VAL A 1 105 ? 4.55600   -7.62100  1.50200  1.000 16.28212 ?  102 VAL A C   1 
ATOM   882  O O   . VAL A 1 105 ? 3.61500   -7.28000  2.22600  1.000 17.92398 ?  102 VAL A O   1 
ATOM   883  C CB  . VAL A 1 105 ? 3.74500   -7.24300  -0.84900 1.000 20.27693 ?  102 VAL A CB  1 
ATOM   884  C CG1 . VAL A 1 105 ? 4.72300   -6.06500  -0.98100 1.000 21.36195 ?  102 VAL A CG1 1 
ATOM   885  C CG2 . VAL A 1 105 ? 3.51600   -7.87200  -2.22300 1.000 19.43107 ?  102 VAL A CG2 1 
ATOM   886  N N   . GLN A 1 106 ? 5.82800   -7.47900  1.85300  1.000 14.86604 ?  103 GLN A N   1 
ATOM   887  C CA  . GLN A 1 106 ? 6.20800   -6.82200  3.10700  1.000 15.01603 ?  103 GLN A CA  1 
ATOM   888  C C   . GLN A 1 106 ? 6.53000   -5.35700  2.84300  1.000 17.94128 ?  103 GLN A C   1 
ATOM   889  O O   . GLN A 1 106 ? 7.40300   -5.05300  2.02600  1.000 17.56811 ?  103 GLN A O   1 
ATOM   890  C CB  . GLN A 1 106 ? 7.41200   -7.50200  3.75300  1.000 15.79858 ?  103 GLN A CB  1 
ATOM   891  C CG  . GLN A 1 106 ? 7.87500   -6.78300  5.03400  1.000 18.65019 ?  103 GLN A CG  1 
ATOM   892  C CD  . GLN A 1 106 ? 9.00200   -7.51800  5.75100  1.000 27.59819 ?  103 GLN A CD  1 
ATOM   893  O OE1 . GLN A 1 106 ? 9.09900   -8.74100  5.68700  1.000 27.86974 ?  103 GLN A OE1 1 
ATOM   894  N NE2 . GLN A 1 106 ? 9.87200   -6.76400  6.41400  1.000 23.47923 ?  103 GLN A NE2 1 
ATOM   895  N N   . TYR A 1 107 ? 5.85100   -4.45200  3.54800  1.000 14.29808 ?  104 TYR A N   1 
ATOM   896  C CA  . TYR A 1 107 ? 6.19000   -3.02600  3.52900  1.000 15.00718 ?  104 TYR A CA  1 
ATOM   897  C C   . TYR A 1 107 ? 6.87700   -2.67200  4.84600  1.000 15.94887 ?  104 TYR A C   1 
ATOM   898  O O   . TYR A 1 107 ? 6.26000   -2.76800  5.90700  1.000 18.82771 ?  104 TYR A O   1 
ATOM   899  C CB  . TYR A 1 107 ? 4.95200   -2.15800  3.31900  1.000 15.91309 ?  104 TYR A CB  1 
ATOM   900  C CG  . TYR A 1 107 ? 4.31900   -2.40100  1.96500  1.000 18.20573 ?  104 TYR A CG  1 
ATOM   901  C CD1 . TYR A 1 107 ? 3.42900   -3.45300  1.78300  1.000 18.72901 ?  104 TYR A CD1 1 
ATOM   902  C CD2 . TYR A 1 107 ? 4.66500   -1.62200  0.86000  1.000 17.19933 ?  104 TYR A CD2 1 
ATOM   903  C CE1 . TYR A 1 107 ? 2.85200   -3.70500  0.53100  1.000 21.89050 ?  104 TYR A CE1 1 
ATOM   904  C CE2 . TYR A 1 107 ? 4.09900   -1.87100  -0.40100 1.000 22.50702 ?  104 TYR A CE2 1 
ATOM   905  C CZ  . TYR A 1 107 ? 3.20200   -2.91900  -0.54900 1.000 22.28135 ?  104 TYR A CZ  1 
ATOM   906  O OH  . TYR A 1 107 ? 2.63300   -3.17600  -1.77800 1.000 27.36968 ?  104 TYR A OH  1 
ATOM   907  N N   . SER A 1 108 ? 8.14600   -2.26700  4.77400  1.000 14.23874 ?  105 SER A N   1 
ATOM   908  C CA  . SER A 1 108 ? 8.92200   -1.89800  5.95900  1.000 11.80233 ?  105 SER A CA  1 
ATOM   909  C C   . SER A 1 108 ? 9.21100   -0.40600  5.94400  1.000 19.37681 ?  105 SER A C   1 
ATOM   910  O O   . SER A 1 108 ? 9.66000   0.13000   4.93200  1.000 18.07086 ?  105 SER A O   1 
ATOM   911  C CB  . SER A 1 108 ? 10.24500  -2.66600  6.02300  1.000 18.58857 ?  105 SER A CB  1 
ATOM   912  O OG  . SER A 1 108 ? 10.04100  -3.99700  6.46700  1.000 22.05559 ?  105 SER A OG  1 
ATOM   913  N N   . GLN A 1 109 ? 8.98200   0.24500   7.07900  1.000 17.36036 ?  106 GLN A N   1 
ATOM   914  C CA  . GLN A 1 109 ? 9.33400   1.64500   7.29200  1.000 14.93245 ?  106 GLN A CA  1 
ATOM   915  C C   . GLN A 1 109 ? 10.40200  1.66400   8.37700  1.000 18.85696 ?  106 GLN A C   1 
ATOM   916  O O   . GLN A 1 109 ? 10.21700  1.05300   9.43300  1.000 21.06180 ?  106 GLN A O   1 
ATOM   917  C CB  . GLN A 1 109 ? 8.11000   2.46800   7.71900  1.000 15.40898 ?  106 GLN A CB  1 
ATOM   918  C CG  . GLN A 1 109 ? 8.44400   3.93300   8.10400  1.000 21.21592 ?  106 GLN A CG  1 
ATOM   919  C CD  . GLN A 1 109 ? 7.22900   4.77000   8.50800  1.000 26.50996 ?  106 GLN A CD  1 
ATOM   920  O OE1 . GLN A 1 109 ? 6.22400   4.25300   9.00400  1.000 25.43340 ?  106 GLN A OE1 1 
ATOM   921  N NE2 . GLN A 1 109 ? 7.33200   6.08500   8.30300  1.000 24.56259 ?  106 GLN A NE2 1 
ATOM   922  N N   . LEU A 1 110 ? 11.54600  2.27900   8.08200  1.000 17.80188 ?  107 LEU A N   1 
ATOM   923  C CA  . LEU A 1 110 ? 12.66600  2.35000   9.01700  1.000 14.30574 ?  107 LEU A CA  1 
ATOM   924  C C   . LEU A 1 110 ? 12.91900  3.81400   9.33600  1.000 17.60260 ?  107 LEU A C   1 
ATOM   925  O O   . LEU A 1 110 ? 13.18200  4.60500   8.42300  1.000 19.15799 ?  107 LEU A O   1 
ATOM   926  C CB  . LEU A 1 110 ? 13.92200  1.71900   8.42800  1.000 16.58114 ?  107 LEU A CB  1 
ATOM   927  C CG  . LEU A 1 110 ? 13.94600  0.19500   8.37700  1.000 22.40291 ?  107 LEU A CG  1 
ATOM   928  C CD1 . LEU A 1 110 ? 14.94700  -0.25400  7.34200  1.000 32.13246 ?  107 LEU A CD1 1 
ATOM   929  C CD2 . LEU A 1 110 ? 14.29300  -0.35800  9.74400  1.000 22.38954 ?  107 LEU A CD2 1 
ATOM   930  N N   . GLU A 1 111 ? 12.81900  4.17600   10.61700 1.000 16.65891 ?  108 GLU A N   1 
ATOM   931  C CA  . GLU A 1 111 ? 12.96600  5.55900   11.07100 1.000 14.68124 ?  108 GLU A CA  1 
ATOM   932  C C   . GLU A 1 111 ? 14.20800  5.63500   11.94500 1.000 14.17085 ?  108 GLU A C   1 
ATOM   933  O O   . GLU A 1 111 ? 14.29500  4.90700   12.93700 1.000 15.70283 ?  108 GLU A O   1 
ATOM   934  C CB  . GLU A 1 111 ? 11.75600  6.01400   11.89300 1.000 17.70704 ?  108 GLU A CB  1 
ATOM   935  C CG  . GLU A 1 111 ? 10.38700  5.81700   11.28900 1.000 25.96512 ?  108 GLU A CG  1 
ATOM   936  C CD  . GLU A 1 111 ? 9.29900   6.06800   12.32400 1.000 27.38562 ?  108 GLU A CD  1 
ATOM   937  O OE1 . GLU A 1 111 ? 9.52100   6.90300   13.23100 1.000 38.51101 ?  108 GLU A OE1 1 
ATOM   938  O OE2 . GLU A 1 111 ? 8.24300   5.42000   12.25500 1.000 35.68955 -1 108 GLU A OE2 1 
ATOM   939  N N   . LEU A 1 112 ? 15.13900  6.53300   11.60200 1.000 17.62931 ?  109 LEU A N   1 
ATOM   940  C CA  . LEU A 1 112 ? 16.42000  6.60400   12.30200 1.000 21.07864 ?  109 LEU A CA  1 
ATOM   941  C C   . LEU A 1 112 ? 16.25800  7.04700   13.75300 1.000 20.89539 ?  109 LEU A C   1 
ATOM   942  O O   . LEU A 1 112 ? 15.69900  8.11000   14.03900 1.000 16.96565 ?  109 LEU A O   1 
ATOM   943  C CB  . LEU A 1 112 ? 17.36600  7.56500   11.58100 1.000 23.41455 ?  109 LEU A CB  1 
ATOM   944  C CG  . LEU A 1 112 ? 18.72000  7.79400   12.27700 1.000 18.07486 ?  109 LEU A CG  1 
ATOM   945  C CD1 . LEU A 1 112 ? 19.53900  6.49200   12.34800 1.000 20.21320 ?  109 LEU A CD1 1 
ATOM   946  C CD2 . LEU A 1 112 ? 19.50700  8.88900   11.56300 1.000 23.89007 ?  109 LEU A CD2 1 
ATOM   947  N N   . LEU A 1 113 ? 16.79800  6.25200   14.67500 1.000 16.69914 ?  110 LEU A N   1 
ATOM   948  C CA  . LEU A 1 113 ? 16.80500  6.63400   16.08200 1.000 20.87674 ?  110 LEU A CA  1 
ATOM   949  C C   . LEU A 1 113 ? 18.13000  7.23800   16.52600 1.000 18.67335 ?  110 LEU A C   1 
ATOM   950  O O   . LEU A 1 113 ? 18.21400  7.74400   17.65200 1.000 25.60931 ?  110 LEU A O   1 
ATOM   951  C CB  . LEU A 1 113 ? 16.45600  5.42700   16.96800 1.000 17.74917 ?  110 LEU A CB  1 
ATOM   952  C CG  . LEU A 1 113 ? 14.98300  5.02200   16.85700 1.000 22.66364 ?  110 LEU A CG  1 
ATOM   953  C CD1 . LEU A 1 113 ? 14.69500  3.78900   17.71000 1.000 22.45466 ?  110 LEU A CD1 1 
ATOM   954  C CD2 . LEU A 1 113 ? 14.06000  6.16000   17.23600 1.000 24.42188 ?  110 LEU A CD2 1 
ATOM   955  N N   . GLY A 1 114 ? 19.15900  7.19900   15.68400 1.000 19.61142 ?  111 GLY A N   1 
ATOM   956  C CA  . GLY A 1 114 ? 20.42900  7.85900   15.93100 1.000 17.73454 ?  111 GLY A CA  1 
ATOM   957  C C   . GLY A 1 114 ? 21.58800  6.88000   15.98100 1.000 25.18558 ?  111 GLY A C   1 
ATOM   958  O O   . GLY A 1 114 ? 21.47400  5.70500   15.60800 1.000 22.11223 ?  111 GLY A O   1 
ATOM   959  N N   . SER A 1 115 ? 22.72800  7.38600   16.46000 1.000 21.94427 ?  112 SER A N   1 
ATOM   960  C CA  . SER A 1 115 ? 23.96600  6.61800   16.54300 1.000 25.66950 ?  112 SER A CA  1 
ATOM   961  C C   . SER A 1 115 ? 24.90800  7.29500   17.53100 1.000 29.52434 ?  112 SER A C   1 
ATOM   962  O O   . SER A 1 115 ? 24.75000  8.47500   17.85500 1.000 29.02395 ?  112 SER A O   1 
ATOM   963  C CB  . SER A 1 115 ? 24.65000  6.50700   15.18300 1.000 27.89929 ?  112 SER A CB  1 
ATOM   964  O OG  . SER A 1 115 ? 24.83200  7.80600   14.64900 1.000 35.05183 ?  112 SER A OG  1 
ATOM   965  N N   . GLY A 1 116 ? 25.91200  6.54200   17.98000 1.000 32.85822 ?  113 GLY A N   1 
ATOM   966  C CA  . GLY A 1 116 ? 26.89600  7.06200   18.91900 1.000 33.06167 ?  113 GLY A CA  1 
ATOM   967  C C   . GLY A 1 116 ? 27.94400  7.99700   18.33000 1.000 34.99122 ?  113 GLY A C   1 
ATOM   968  O O   . GLY A 1 116 ? 28.15900  8.06400   17.11800 1.000 31.59972 ?  113 GLY A O   1 
ATOM   969  O OXT . GLY A 1 116 ? 28.62000  8.73200   19.05500 1.000 32.56302 ?  113 GLY A OXT 1 
HETATM 970  O O   . HOH B 2 .   ? 2.33800   -13.90400 -7.64700 1.000 41.37030 ?  201 HOH A O   1 
HETATM 971  O O   . HOH B 2 .   ? -8.14300  -14.67100 9.21500  1.000 42.66268 ?  202 HOH A O   1 
HETATM 972  O O   . HOH B 2 .   ? 23.02000  9.12600   13.65800 1.000 35.45375 ?  203 HOH A O   1 
HETATM 973  O O   . HOH B 2 .   ? 10.91100  -25.02700 7.80100  1.000 33.09086 ?  204 HOH A O   1 
HETATM 974  O O   . HOH B 2 .   ? 23.55500  -7.91900  19.32800 1.000 42.71854 ?  205 HOH A O   1 
HETATM 975  O O   . HOH B 2 .   ? 12.96900  -7.10300  12.05400 1.000 35.01829 ?  206 HOH A O   1 
HETATM 976  O O   . HOH B 2 .   ? 0.54800   -1.56400  9.38900  1.000 29.74551 ?  207 HOH A O   1 
HETATM 977  O O   . HOH B 2 .   ? 19.62900  6.49600   8.07700  1.000 24.33926 ?  208 HOH A O   1 
HETATM 978  O O   . HOH B 2 .   ? 10.86700  6.98200   15.48300 1.000 36.19468 ?  209 HOH A O   1 
HETATM 979  O O   . HOH B 2 .   ? 23.14400  -17.61300 7.80000  1.000 27.13800 ?  210 HOH A O   1 
HETATM 980  O O   . HOH B 2 .   ? 9.12800   -26.50400 4.78700  1.000 31.49669 ?  211 HOH A O   1 
HETATM 981  O O   . HOH B 2 .   ? 28.44900  -5.05200  3.58500  1.000 33.21572 ?  212 HOH A O   1 
HETATM 982  O O   . HOH B 2 .   ? 18.33500  -25.81300 4.63800  1.000 29.31988 ?  213 HOH A O   1 
HETATM 983  O O   . HOH B 2 .   ? 5.15900   -7.60400  9.63600  1.000 27.23750 ?  214 HOH A O   1 
HETATM 984  O O   . HOH B 2 .   ? -2.20800  -5.22000  11.14500 1.000 28.68440 ?  215 HOH A O   1 
HETATM 985  O O   . HOH B 2 .   ? 15.71600  -18.81300 -1.89900 1.000 21.93585 ?  216 HOH A O   1 
HETATM 986  O O   . HOH B 2 .   ? 20.89600  -9.65400  16.01200 1.000 23.73180 ?  217 HOH A O   1 
HETATM 987  O O   . HOH B 2 .   ? 18.65000  -21.58000 1.29900  1.000 23.13978 ?  218 HOH A O   1 
HETATM 988  O O   . HOH B 2 .   ? 17.93500  -22.77800 7.96900  1.000 18.32165 ?  219 HOH A O   1 
HETATM 989  O O   . HOH B 2 .   ? 25.037    2.038     22.124   1.000 35.34272 ?  220 HOH A O   1 
HETATM 990  O O   . HOH B 2 .   ? 7.99700   -18.56400 -1.80900 1.000 27.29021 ?  221 HOH A O   1 
HETATM 991  O O   . HOH B 2 .   ? 21.32300  -21.03100 8.14900  1.000 29.64058 ?  222 HOH A O   1 
HETATM 992  O O   . HOH B 2 .   ? 4.79600   -0.61500  7.69500  1.000 20.01441 ?  223 HOH A O   1 
HETATM 993  O O   . HOH B 2 .   ? -6.33900  -10.78700 1.76300  1.000 39.55170 ?  224 HOH A O   1 
HETATM 994  O O   . HOH B 2 .   ? 26.29200  -6.55300  -2.37000 1.000 21.09129 ?  225 HOH A O   1 
HETATM 995  O O   . HOH B 2 .   ? 22.52200  -4.61100  -0.38400 1.000 19.10026 ?  226 HOH A O   1 
HETATM 996  O O   . HOH B 2 .   ? 26.39200  3.82000   17.60600 1.000 28.12150 ?  227 HOH A O   1 
HETATM 997  O O   . HOH B 2 .   ? 27.44600  -3.09000  6.91500  1.000 31.66312 ?  228 HOH A O   1 
HETATM 998  O O   . HOH B 2 .   ? 4.68500   1.94400   8.72900  1.000 27.23221 ?  229 HOH A O   1 
HETATM 999  O O   . HOH B 2 .   ? -4.514    -2.327    5.940    1.000 39.44411 ?  230 HOH A O   1 
HETATM 1000 O O   . HOH B 2 .   ? 9.21900   -4.84900  12.41600 1.000 33.17239 ?  231 HOH A O   1 
HETATM 1001 O O   . HOH B 2 .   ? 26.61100  -9.10400  7.99600  1.000 21.62787 ?  232 HOH A O   1 
HETATM 1002 O O   . HOH B 2 .   ? -5.77600  -13.50700 -0.52100 1.000 28.05544 ?  233 HOH A O   1 
HETATM 1003 O O   . HOH B 2 .   ? 8.92400   2.70300   11.97400 1.000 22.30507 ?  234 HOH A O   1 
HETATM 1004 O O   . HOH B 2 .   ? -5.09600  -8.47300  -1.13700 1.000 34.60724 ?  235 HOH A O   1 
HETATM 1005 O O   . HOH B 2 .   ? -3.77600  -5.22700  2.46200  1.000 29.13774 ?  236 HOH A O   1 
HETATM 1006 O O   . HOH B 2 .   ? 15.30300  -0.36300  -4.61000 1.000 29.00011 ?  237 HOH A O   1 
HETATM 1007 O O   . HOH B 2 .   ? 14.98700  -5.21300  -6.43700 1.000 22.96687 ?  238 HOH A O   1 
HETATM 1008 O O   . HOH B 2 .   ? 2.98900   -10.81200 -5.24200 1.000 33.95140 ?  239 HOH A O   1 
HETATM 1009 O O   . HOH B 2 .   ? 31.79800  -7.58700  2.86200  1.000 33.07591 ?  240 HOH A O   1 
HETATM 1010 O O   . HOH B 2 .   ? 16.464    3.951     3.801    1.000 21.35140 ?  241 HOH A O   1 
HETATM 1011 O O   . HOH B 2 .   ? 1.77100   -18.22600 0.85600  1.000 33.36810 ?  242 HOH A O   1 
HETATM 1012 O O   . HOH B 2 .   ? 3.24300   -21.82200 3.82000  1.000 40.34464 ?  243 HOH A O   1 
HETATM 1013 O O   . HOH B 2 .   ? 15.15300  -19.25900 13.73400 1.000 29.07813 ?  244 HOH A O   1 
HETATM 1014 O O   . HOH B 2 .   ? -4.13400  -7.89700  2.63700  1.000 24.83232 ?  245 HOH A O   1 
HETATM 1015 O O   . HOH B 2 .   ? 15.20300  7.82900   8.98000  1.000 27.40167 ?  246 HOH A O   1 
HETATM 1016 O O   . HOH B 2 .   ? 7.84100   0.94300   2.06200  1.000 19.81179 ?  247 HOH A O   1 
HETATM 1017 O O   . HOH B 2 .   ? 16.14200  -26.03700 7.09800  1.000 30.81839 ?  248 HOH A O   1 
HETATM 1018 O O   . HOH B 2 .   ? 9.02000   -16.14700 -2.51500 1.000 32.04015 ?  249 HOH A O   1 
HETATM 1019 O O   . HOH B 2 .   ? 17.47600  -0.57200  -2.50600 1.000 28.39477 ?  250 HOH A O   1 
HETATM 1020 O O   . HOH B 2 .   ? 3.20800   -22.26500 6.08400  1.000 38.40874 ?  251 HOH A O   1 
HETATM 1021 O O   . HOH B 2 .   ? 12.77200  8.30700   14.65500 1.000 35.07299 ?  252 HOH A O   1 
HETATM 1022 O O   . HOH B 2 .   ? 15.741    -5.115    24.361   1.000 30.74470 ?  253 HOH A O   1 
HETATM 1023 O O   . HOH B 2 .   ? -1.117    -4.866    -1.127   1.000 40.06097 ?  254 HOH A O   1 
HETATM 1024 O O   . HOH B 2 .   ? 4.78400   -16.69200 -2.78300 1.000 31.54426 ?  255 HOH A O   1 
HETATM 1025 O O   . HOH B 2 .   ? 13.13200  1.30400   -5.99200 1.000 21.39878 ?  256 HOH A O   1 
HETATM 1026 O O   . HOH B 2 .   ? 26.26000  -13.48100 9.89800  1.000 37.18361 ?  257 HOH A O   1 
HETATM 1027 O O   . HOH B 2 .   ? 8.87500   -7.76000  -7.46200 1.000 38.56479 ?  258 HOH A O   1 
HETATM 1028 O O   . HOH B 2 .   ? 12.71100  -24.38900 4.25300  1.000 21.59674 ?  259 HOH A O   1 
HETATM 1029 O O   . HOH B 2 .   ? -2.24500  -11.48400 -6.65600 1.000 30.98988 ?  260 HOH A O   1 
HETATM 1030 O O   . HOH B 2 .   ? 13.00900  -24.09000 7.14600  1.000 32.53304 ?  261 HOH A O   1 
HETATM 1031 O O   . HOH B 2 .   ? 13.95300  9.88900   12.08200 1.000 27.13305 ?  262 HOH A O   1 
HETATM 1032 O O   . HOH B 2 .   ? 9.121     5.936     2.271    1.000 31.15216 ?  263 HOH A O   1 
HETATM 1033 O O   . HOH B 2 .   ? 24.34700  -15.69800 8.00000  1.000 35.25105 ?  264 HOH A O   1 
HETATM 1034 O O   . HOH B 2 .   ? 30.51500  -6.39300  4.60100  1.000 35.53767 ?  265 HOH A O   1 
HETATM 1035 O O   . HOH B 2 .   ? 28.57600  -8.06500  -1.03100 1.000 33.17020 ?  266 HOH A O   1 
HETATM 1036 O O   . HOH B 2 .   ? 16.884    3.104     6.390    1.000 26.72694 ?  267 HOH A O   1 
HETATM 1037 O O   . HOH B 2 .   ? -3.02100  -1.26100  9.10900  1.000 41.94598 ?  268 HOH A O   1 
HETATM 1038 O O   . HOH B 2 .   ? 23.09300  -9.61500  17.76700 1.000 32.23045 ?  269 HOH A O   1 
HETATM 1039 O O   . HOH B 2 .   ? 6.957     5.052     0.837    1.000 36.22512 ?  270 HOH A O   1 
HETATM 1040 O O   . HOH B 2 .   ? 8.16000   -15.77800 -5.03700 1.000 37.01204 ?  271 HOH A O   1 
HETATM 1041 O O   . HOH B 2 .   ? -5.417    -0.185    5.094    1.000 35.68636 ?  272 HOH A O   1 
# 
