data_9JUY
# 
_entry.id   9JUY 
# 
_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   9JUY         pdb_00009juy 10.2210/pdb9juy/pdb 
WWPDB D_1300052309 ?            ?                   
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
_pdbx_audit_revision_history.part_number 
1 'Structure model' 1 0 2025-03-12 ? 
2 'Structure model' 1 1 2025-06-04 ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_audit_revision_group.ordinal             1 
_pdbx_audit_revision_group.revision_ordinal    2 
_pdbx_audit_revision_group.data_content_type   'Structure model' 
_pdbx_audit_revision_group.group               'Database references' 
# 
_pdbx_audit_revision_category.ordinal             1 
_pdbx_audit_revision_category.revision_ordinal    2 
_pdbx_audit_revision_category.data_content_type   'Structure model' 
_pdbx_audit_revision_category.category            citation 
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1 2 'Structure model' '_citation.journal_volume' 
2 2 'Structure model' '_citation.page_first'     
3 2 'Structure model' '_citation.page_last'      
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9JUY 
_pdbx_database_status.recvd_initial_deposition_date   2024-10-08 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBJ 
_pdbx_database_status.process_site                    PDBC 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           N 
# 
_pdbx_contact_author.id                 3 
_pdbx_contact_author.email              xu_yong@gibh.ac.cn 
_pdbx_contact_author.name_first         Yong 
_pdbx_contact_author.name_last          Xu 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0003-3601-0246 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Hu, J.'     1  ? 
'Zhang, C.'  2  ? 
'Luo, G.'    3  ? 
'Tang, X.'   4  ? 
'Wu, T.'     5  ? 
'Shen, H.'   6  ? 
'Zhao, X.'   7  ? 
'Wu, X.'     8  ? 
'Smaill, J.' 9  ? 
'Zhang, Y.'  10 ? 
'Xu, Y.'     11 ? 
'Xiang, Q.'  12 ? 
# 
_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                   CN 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'Acta Pharmacol.Sin.' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           1745-7254 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            46 
_citation.language                  ? 
_citation.page_first                1706 
_citation.page_last                 1721 
_citation.title                     
;Discovery of 5-imidazole-3-methylbenz[d]isoxazole derivatives as potent and selective CBP/p300 bromodomain inhibitors for the treatment of acute myeloid leukemia.
;
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1038/s41401-025-01478-x 
_citation.pdbx_database_id_PubMed   39890943 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Hu, J.K.'     1  ? 
primary 'Tang, X.'     2  ? 
primary 'Luo, G.L.'    3  ? 
primary 'Zhang, C.'    4  ? 
primary 'Wu, T.B.'     5  ? 
primary 'Wang, C.'     6  ? 
primary 'Shen, H.'     7  ? 
primary 'Zhao, X.F.'   8  ? 
primary 'Wu, X.S.'     9  ? 
primary 'Smaill, J.B.' 10 ? 
primary 'Xu, Y.'       11 ? 
primary 'Zhang, Y.'    12 ? 
primary 'Xiang, Q.P.'  13 ? 
# 
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 'CREB-binding protein' 15891.296 1  2.3.1.48,2.3.1.- ? ? 
'CBP_HUMAN, Q92793, R1081-G1197 sequence from 1065-1080 are tags. MKKGHHHHHHLVPRGS' 
2 non-polymer syn 
;(5~{S})-1-(3-chloranyl-4-methoxy-phenyl)-5-[4-(3-methyl-1,2-benzoxazol-5-yl)-1-[(2~{S})-2-morpholin-4-ylpropyl]imidazol-2-yl]pyrrolidin-2-one
;
550.048   1  ?                ? ? ?                                                                                   
3 non-polymer syn 'DIMETHYL SULFOXIDE' 78.133    1  ?                ? ? ? 
4 water       nat water 18.015    84 ?                ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
'Histone lysine acetyltransferase CREBBP,Protein lactyltransferas CREBBP,Protein-lysine acetyltransferase CREBBP' 
# 
_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       
;MKKGHHHHHHLVPRGSRKKIFKPEELRQALMPTLEALYRQDPESLPFRQPVDPQLLGIPDYFDIVKNPMDLSTIKRKLDT
GQYQEPWQYVDDVWLMFNNAWLYNRKTSRVYKFCSKLAEVFEQEIDPVMQSLG
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MKKGHHHHHHLVPRGSRKKIFKPEELRQALMPTLEALYRQDPESLPFRQPVDPQLLGIPDYFDIVKNPMDLSTIKRKLDT
GQYQEPWQYVDDVWLMFNNAWLYNRKTSRVYKFCSKLAEVFEQEIDPVMQSLG
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 
;(5~{S})-1-(3-chloranyl-4-methoxy-phenyl)-5-[4-(3-methyl-1,2-benzoxazol-5-yl)-1-[(2~{S})-2-morpholin-4-ylpropyl]imidazol-2-yl]pyrrolidin-2-one
;
A1EDO 
3 'DIMETHYL SULFOXIDE' DMS   
4 water 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   LYS n 
1 3   LYS n 
1 4   GLY n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   HIS n 
1 9   HIS n 
1 10  HIS n 
1 11  LEU n 
1 12  VAL n 
1 13  PRO n 
1 14  ARG n 
1 15  GLY n 
1 16  SER n 
1 17  ARG n 
1 18  LYS n 
1 19  LYS n 
1 20  ILE n 
1 21  PHE n 
1 22  LYS n 
1 23  PRO n 
1 24  GLU n 
1 25  GLU n 
1 26  LEU n 
1 27  ARG n 
1 28  GLN n 
1 29  ALA n 
1 30  LEU n 
1 31  MET n 
1 32  PRO n 
1 33  THR n 
1 34  LEU n 
1 35  GLU n 
1 36  ALA n 
1 37  LEU n 
1 38  TYR n 
1 39  ARG n 
1 40  GLN n 
1 41  ASP n 
1 42  PRO n 
1 43  GLU n 
1 44  SER n 
1 45  LEU n 
1 46  PRO n 
1 47  PHE n 
1 48  ARG n 
1 49  GLN n 
1 50  PRO n 
1 51  VAL n 
1 52  ASP n 
1 53  PRO n 
1 54  GLN n 
1 55  LEU n 
1 56  LEU n 
1 57  GLY n 
1 58  ILE n 
1 59  PRO n 
1 60  ASP n 
1 61  TYR n 
1 62  PHE n 
1 63  ASP n 
1 64  ILE n 
1 65  VAL n 
1 66  LYS n 
1 67  ASN n 
1 68  PRO n 
1 69  MET n 
1 70  ASP n 
1 71  LEU n 
1 72  SER n 
1 73  THR n 
1 74  ILE n 
1 75  LYS n 
1 76  ARG n 
1 77  LYS n 
1 78  LEU n 
1 79  ASP n 
1 80  THR n 
1 81  GLY n 
1 82  GLN n 
1 83  TYR n 
1 84  GLN n 
1 85  GLU n 
1 86  PRO n 
1 87  TRP n 
1 88  GLN n 
1 89  TYR n 
1 90  VAL n 
1 91  ASP n 
1 92  ASP n 
1 93  VAL n 
1 94  TRP n 
1 95  LEU n 
1 96  MET n 
1 97  PHE n 
1 98  ASN n 
1 99  ASN n 
1 100 ALA n 
1 101 TRP n 
1 102 LEU n 
1 103 TYR n 
1 104 ASN n 
1 105 ARG n 
1 106 LYS n 
1 107 THR n 
1 108 SER n 
1 109 ARG n 
1 110 VAL n 
1 111 TYR n 
1 112 LYS n 
1 113 PHE n 
1 114 CYS n 
1 115 SER n 
1 116 LYS n 
1 117 LEU n 
1 118 ALA n 
1 119 GLU n 
1 120 VAL n 
1 121 PHE n 
1 122 GLU n 
1 123 GLN n 
1 124 GLU n 
1 125 ILE n 
1 126 ASP n 
1 127 PRO n 
1 128 VAL n 
1 129 MET n 
1 130 GLN n 
1 131 SER n 
1 132 LEU n 
1 133 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                   133 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'CREBBP, CBP' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Homo sapiens' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9606 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
A1EDO non-polymer         . 
;(5~{S})-1-(3-chloranyl-4-methoxy-phenyl)-5-[4-(3-methyl-1,2-benzoxazol-5-yl)-1-[(2~{S})-2-morpholin-4-ylpropyl]imidazol-2-yl]pyrrolidin-2-one
;
? 'C29 H32 Cl N5 O4' 550.048 
ALA   'L-peptide linking' y ALANINE ? 'C3 H7 N O2'       89.093  
ARG   'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1'   175.209 
ASN   'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3'      132.118 
ASP   'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'       133.103 
CYS   'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S'     121.158 
DMS   non-polymer         . 'DIMETHYL SULFOXIDE' ? 'C2 H6 O S'        78.133  
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   1065 ?    ?   ?   A . n 
A 1 2   LYS 2   1066 ?    ?   ?   A . n 
A 1 3   LYS 3   1067 ?    ?   ?   A . n 
A 1 4   GLY 4   1068 ?    ?   ?   A . n 
A 1 5   HIS 5   1069 ?    ?   ?   A . n 
A 1 6   HIS 6   1070 ?    ?   ?   A . n 
A 1 7   HIS 7   1071 ?    ?   ?   A . n 
A 1 8   HIS 8   1072 ?    ?   ?   A . n 
A 1 9   HIS 9   1073 ?    ?   ?   A . n 
A 1 10  HIS 10  1074 ?    ?   ?   A . n 
A 1 11  LEU 11  1075 ?    ?   ?   A . n 
A 1 12  VAL 12  1076 ?    ?   ?   A . n 
A 1 13  PRO 13  1077 ?    ?   ?   A . n 
A 1 14  ARG 14  1078 ?    ?   ?   A . n 
A 1 15  GLY 15  1079 ?    ?   ?   A . n 
A 1 16  SER 16  1080 ?    ?   ?   A . n 
A 1 17  ARG 17  1081 1081 ARG ARG A . n 
A 1 18  LYS 18  1082 1082 LYS LYS A . n 
A 1 19  LYS 19  1083 1083 LYS LYS A . n 
A 1 20  ILE 20  1084 1084 ILE ILE A . n 
A 1 21  PHE 21  1085 1085 PHE PHE A . n 
A 1 22  LYS 22  1086 1086 LYS LYS A . n 
A 1 23  PRO 23  1087 1087 PRO PRO A . n 
A 1 24  GLU 24  1088 1088 GLU GLU A . n 
A 1 25  GLU 25  1089 1089 GLU GLU A . n 
A 1 26  LEU 26  1090 1090 LEU LEU A . n 
A 1 27  ARG 27  1091 1091 ARG ARG A . n 
A 1 28  GLN 28  1092 1092 GLN GLN A . n 
A 1 29  ALA 29  1093 1093 ALA ALA A . n 
A 1 30  LEU 30  1094 1094 LEU LEU A . n 
A 1 31  MET 31  1095 1095 MET MET A . n 
A 1 32  PRO 32  1096 1096 PRO PRO A . n 
A 1 33  THR 33  1097 1097 THR THR A . n 
A 1 34  LEU 34  1098 1098 LEU LEU A . n 
A 1 35  GLU 35  1099 1099 GLU GLU A . n 
A 1 36  ALA 36  1100 1100 ALA ALA A . n 
A 1 37  LEU 37  1101 1101 LEU LEU A . n 
A 1 38  TYR 38  1102 1102 TYR TYR A . n 
A 1 39  ARG 39  1103 1103 ARG ARG A . n 
A 1 40  GLN 40  1104 1104 GLN GLN A . n 
A 1 41  ASP 41  1105 1105 ASP ASP A . n 
A 1 42  PRO 42  1106 1106 PRO PRO A . n 
A 1 43  GLU 43  1107 1107 GLU GLU A . n 
A 1 44  SER 44  1108 1108 SER SER A . n 
A 1 45  LEU 45  1109 1109 LEU LEU A . n 
A 1 46  PRO 46  1110 1110 PRO PRO A . n 
A 1 47  PHE 47  1111 1111 PHE PHE A . n 
A 1 48  ARG 48  1112 1112 ARG ARG A . n 
A 1 49  GLN 49  1113 1113 GLN GLN A . n 
A 1 50  PRO 50  1114 1114 PRO PRO A . n 
A 1 51  VAL 51  1115 1115 VAL VAL A . n 
A 1 52  ASP 52  1116 1116 ASP ASP A . n 
A 1 53  PRO 53  1117 1117 PRO PRO A . n 
A 1 54  GLN 54  1118 1118 GLN GLN A . n 
A 1 55  LEU 55  1119 1119 LEU LEU A . n 
A 1 56  LEU 56  1120 1120 LEU LEU A . n 
A 1 57  GLY 57  1121 1121 GLY GLY A . n 
A 1 58  ILE 58  1122 1122 ILE ILE A . n 
A 1 59  PRO 59  1123 1123 PRO PRO A . n 
A 1 60  ASP 60  1124 1124 ASP ASP A . n 
A 1 61  TYR 61  1125 1125 TYR TYR A . n 
A 1 62  PHE 62  1126 1126 PHE PHE A . n 
A 1 63  ASP 63  1127 1127 ASP ASP A . n 
A 1 64  ILE 64  1128 1128 ILE ILE A . n 
A 1 65  VAL 65  1129 1129 VAL VAL A . n 
A 1 66  LYS 66  1130 1130 LYS LYS A . n 
A 1 67  ASN 67  1131 1131 ASN ASN A . n 
A 1 68  PRO 68  1132 1132 PRO PRO A . n 
A 1 69  MET 69  1133 1133 MET MET A . n 
A 1 70  ASP 70  1134 1134 ASP ASP A . n 
A 1 71  LEU 71  1135 1135 LEU LEU A . n 
A 1 72  SER 72  1136 1136 SER SER A . n 
A 1 73  THR 73  1137 1137 THR THR A . n 
A 1 74  ILE 74  1138 1138 ILE ILE A . n 
A 1 75  LYS 75  1139 1139 LYS LYS A . n 
A 1 76  ARG 76  1140 1140 ARG ARG A . n 
A 1 77  LYS 77  1141 1141 LYS LYS A . n 
A 1 78  LEU 78  1142 1142 LEU LEU A . n 
A 1 79  ASP 79  1143 1143 ASP ASP A . n 
A 1 80  THR 80  1144 1144 THR THR A . n 
A 1 81  GLY 81  1145 1145 GLY GLY A . n 
A 1 82  GLN 82  1146 1146 GLN GLN A . n 
A 1 83  TYR 83  1147 1147 TYR TYR A . n 
A 1 84  GLN 84  1148 1148 GLN GLN A . n 
A 1 85  GLU 85  1149 1149 GLU GLU A . n 
A 1 86  PRO 86  1150 1150 PRO PRO A . n 
A 1 87  TRP 87  1151 1151 TRP TRP A . n 
A 1 88  GLN 88  1152 1152 GLN GLN A . n 
A 1 89  TYR 89  1153 1153 TYR TYR A . n 
A 1 90  VAL 90  1154 1154 VAL VAL A . n 
A 1 91  ASP 91  1155 1155 ASP ASP A . n 
A 1 92  ASP 92  1156 1156 ASP ASP A . n 
A 1 93  VAL 93  1157 1157 VAL VAL A . n 
A 1 94  TRP 94  1158 1158 TRP TRP A . n 
A 1 95  LEU 95  1159 1159 LEU LEU A . n 
A 1 96  MET 96  1160 1160 MET MET A . n 
A 1 97  PHE 97  1161 1161 PHE PHE A . n 
A 1 98  ASN 98  1162 1162 ASN ASN A . n 
A 1 99  ASN 99  1163 1163 ASN ASN A . n 
A 1 100 ALA 100 1164 1164 ALA ALA A . n 
A 1 101 TRP 101 1165 1165 TRP TRP A . n 
A 1 102 LEU 102 1166 1166 LEU LEU A . n 
A 1 103 TYR 103 1167 1167 TYR TYR A . n 
A 1 104 ASN 104 1168 1168 ASN ASN A . n 
A 1 105 ARG 105 1169 1169 ARG ARG A . n 
A 1 106 LYS 106 1170 1170 LYS LYS A . n 
A 1 107 THR 107 1171 1171 THR THR A . n 
A 1 108 SER 108 1172 1172 SER SER A . n 
A 1 109 ARG 109 1173 1173 ARG ARG A . n 
A 1 110 VAL 110 1174 1174 VAL VAL A . n 
A 1 111 TYR 111 1175 1175 TYR TYR A . n 
A 1 112 LYS 112 1176 1176 LYS LYS A . n 
A 1 113 PHE 113 1177 1177 PHE PHE A . n 
A 1 114 CYS 114 1178 1178 CYS CYS A . n 
A 1 115 SER 115 1179 1179 SER SER A . n 
A 1 116 LYS 116 1180 1180 LYS LYS A . n 
A 1 117 LEU 117 1181 1181 LEU LEU A . n 
A 1 118 ALA 118 1182 1182 ALA ALA A . n 
A 1 119 GLU 119 1183 1183 GLU GLU A . n 
A 1 120 VAL 120 1184 1184 VAL VAL A . n 
A 1 121 PHE 121 1185 1185 PHE PHE A . n 
A 1 122 GLU 122 1186 1186 GLU GLU A . n 
A 1 123 GLN 123 1187 1187 GLN GLN A . n 
A 1 124 GLU 124 1188 1188 GLU GLU A . n 
A 1 125 ILE 125 1189 1189 ILE ILE A . n 
A 1 126 ASP 126 1190 1190 ASP ASP A . n 
A 1 127 PRO 127 1191 1191 PRO PRO A . n 
A 1 128 VAL 128 1192 1192 VAL VAL A . n 
A 1 129 MET 129 1193 1193 MET MET A . n 
A 1 130 GLN 130 1194 1194 GLN GLN A . n 
A 1 131 SER 131 1195 1195 SER SER A . n 
A 1 132 LEU 132 1196 1196 LEU LEU A . n 
A 1 133 GLY 133 1197 1197 GLY GLY A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1EDO 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1EDO 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 A1EDO 1  1201 1201 A1EDO DRG A . 
C 3 DMS   1  1202 1    DMS   DMS A . 
D 4 HOH   1  1301 14   HOH   HOH A . 
D 4 HOH   2  1302 48   HOH   HOH A . 
D 4 HOH   3  1303 22   HOH   HOH A . 
D 4 HOH   4  1304 44   HOH   HOH A . 
D 4 HOH   5  1305 73   HOH   HOH A . 
D 4 HOH   6  1306 3    HOH   HOH A . 
D 4 HOH   7  1307 16   HOH   HOH A . 
D 4 HOH   8  1308 13   HOH   HOH A . 
D 4 HOH   9  1309 32   HOH   HOH A . 
D 4 HOH   10 1310 47   HOH   HOH A . 
D 4 HOH   11 1311 82   HOH   HOH A . 
D 4 HOH   12 1312 81   HOH   HOH A . 
D 4 HOH   13 1313 30   HOH   HOH A . 
D 4 HOH   14 1314 28   HOH   HOH A . 
D 4 HOH   15 1315 10   HOH   HOH A . 
D 4 HOH   16 1316 2    HOH   HOH A . 
D 4 HOH   17 1317 26   HOH   HOH A . 
D 4 HOH   18 1318 27   HOH   HOH A . 
D 4 HOH   19 1319 65   HOH   HOH A . 
D 4 HOH   20 1320 77   HOH   HOH A . 
D 4 HOH   21 1321 35   HOH   HOH A . 
D 4 HOH   22 1322 54   HOH   HOH A . 
D 4 HOH   23 1323 66   HOH   HOH A . 
D 4 HOH   24 1324 40   HOH   HOH A . 
D 4 HOH   25 1325 70   HOH   HOH A . 
D 4 HOH   26 1326 8    HOH   HOH A . 
D 4 HOH   27 1327 36   HOH   HOH A . 
D 4 HOH   28 1328 5    HOH   HOH A . 
D 4 HOH   29 1329 29   HOH   HOH A . 
D 4 HOH   30 1330 62   HOH   HOH A . 
D 4 HOH   31 1331 50   HOH   HOH A . 
D 4 HOH   32 1332 20   HOH   HOH A . 
D 4 HOH   33 1333 72   HOH   HOH A . 
D 4 HOH   34 1334 39   HOH   HOH A . 
D 4 HOH   35 1335 60   HOH   HOH A . 
D 4 HOH   36 1336 12   HOH   HOH A . 
D 4 HOH   37 1337 9    HOH   HOH A . 
D 4 HOH   38 1338 1    HOH   HOH A . 
D 4 HOH   39 1339 57   HOH   HOH A . 
D 4 HOH   40 1340 58   HOH   HOH A . 
D 4 HOH   41 1341 24   HOH   HOH A . 
D 4 HOH   42 1342 74   HOH   HOH A . 
D 4 HOH   43 1343 38   HOH   HOH A . 
D 4 HOH   44 1344 4    HOH   HOH A . 
D 4 HOH   45 1345 7    HOH   HOH A . 
D 4 HOH   46 1346 33   HOH   HOH A . 
D 4 HOH   47 1347 80   HOH   HOH A . 
D 4 HOH   48 1348 17   HOH   HOH A . 
D 4 HOH   49 1349 15   HOH   HOH A . 
D 4 HOH   50 1350 37   HOH   HOH A . 
D 4 HOH   51 1351 42   HOH   HOH A . 
D 4 HOH   52 1352 51   HOH   HOH A . 
D 4 HOH   53 1353 55   HOH   HOH A . 
D 4 HOH   54 1354 19   HOH   HOH A . 
D 4 HOH   55 1355 23   HOH   HOH A . 
D 4 HOH   56 1356 83   HOH   HOH A . 
D 4 HOH   57 1357 18   HOH   HOH A . 
D 4 HOH   58 1358 25   HOH   HOH A . 
D 4 HOH   59 1359 52   HOH   HOH A . 
D 4 HOH   60 1360 59   HOH   HOH A . 
D 4 HOH   61 1361 56   HOH   HOH A . 
D 4 HOH   62 1362 75   HOH   HOH A . 
D 4 HOH   63 1363 6    HOH   HOH A . 
D 4 HOH   64 1364 49   HOH   HOH A . 
D 4 HOH   65 1365 45   HOH   HOH A . 
D 4 HOH   66 1366 11   HOH   HOH A . 
D 4 HOH   67 1367 69   HOH   HOH A . 
D 4 HOH   68 1368 41   HOH   HOH A . 
D 4 HOH   69 1369 21   HOH   HOH A . 
D 4 HOH   70 1370 67   HOH   HOH A . 
D 4 HOH   71 1371 61   HOH   HOH A . 
D 4 HOH   72 1372 71   HOH   HOH A . 
D 4 HOH   73 1373 84   HOH   HOH A . 
D 4 HOH   74 1374 76   HOH   HOH A . 
D 4 HOH   75 1375 46   HOH   HOH A . 
D 4 HOH   76 1376 43   HOH   HOH A . 
D 4 HOH   77 1377 63   HOH   HOH A . 
D 4 HOH   78 1378 78   HOH   HOH A . 
D 4 HOH   79 1379 79   HOH   HOH A . 
D 4 HOH   80 1380 68   HOH   HOH A . 
D 4 HOH   81 1381 34   HOH   HOH A . 
D 4 HOH   82 1382 53   HOH   HOH A . 
D 4 HOH   83 1383 64   HOH   HOH A . 
D 4 HOH   84 1384 31   HOH   HOH A . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 A ARG 1091 ? CZ  ? A ARG 27  CZ  
2 1 Y 1 A ARG 1091 ? NH1 ? A ARG 27  NH1 
3 1 Y 1 A ARG 1091 ? NH2 ? A ARG 27  NH2 
4 1 Y 1 A LYS 1170 ? NZ  ? A LYS 106 NZ  
# 
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       ? ? ? ? ? ? ? ? ? ? ? REFMAC  ? ? ? 5.8.0258 1 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .        2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? iMOSFLM ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? MOLREP  ? ? ? .        4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9JUY 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     48.450 
_cell.length_a_esd                 ? 
_cell.length_b                     56.350 
_cell.length_b_esd                 ? 
_cell.length_c                     114.644 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        8 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         9JUY 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                23 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'I 2 2 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   9JUY 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.46 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          50.04 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '0.2 M Sodium citrate tribasic dihydrate, 20% w/v Polyethylene glycol 3,350' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            277 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     80 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS3 6M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2020-04-23 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.97852 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'SSRF BEAMLINE BL19U1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.97852 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   BL19U1 
_diffrn_source.pdbx_synchrotron_site       SSRF 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9JUY 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.42 
_reflns.d_resolution_low                               57.32 
_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                                     29862 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           99.6 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                11.5 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          14.3 
_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                                0.084 
_reflns.pdbx_Rpim_I_all                                0.024 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       344567 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.998 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.080 
_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                                    1.42 
_reflns_shell.d_res_low                                     1.45 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           17036 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1451 
_reflns_shell.percent_possible_obs                          99.9 
_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                               11.7 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     2.5 
_reflns_shell.pdbx_Rrim_I_all                               0.912 
_reflns_shell.pdbx_Rpim_I_all                               0.262 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.850 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.872 
_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]                            -1.15 
_refine.aniso_B[1][2]                            -0.00 
_refine.aniso_B[1][3]                            0.00 
_refine.aniso_B[2][2]                            2.15 
_refine.aniso_B[2][3]                            0.00 
_refine.aniso_B[3][3]                            -1.00 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               22.299 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.965 
_refine.correlation_coeff_Fo_to_Fc_free          0.957 
_refine.details                                  'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' 
_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                                 9JUY 
_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                            1.42 
_refine.ls_d_res_low                             50.62 
_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                     28292 
_refine.ls_number_reflns_R_free                  1557 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.47 
_refine.ls_percent_reflns_R_free                 5.2 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.20103 
_refine.ls_R_factor_R_free                       0.22655 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.19964 
_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                    MASK 
_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                          ? 
_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               THROUGHOUT 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      5XXH 
_refine.pdbx_stereochemistry_target_values       'MAXIMUM LIKELIHOOD' 
_refine.pdbx_R_Free_selection_details            RANDOM 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.063 
_refine.pdbx_overall_ESU_R_Free                  0.066 
_refine.pdbx_solvent_vdw_probe_radii             1.20 
_refine.pdbx_solvent_ion_probe_radii             0.80 
_refine.pdbx_solvent_shrinkage_radii             0.80 
_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                 ? 
_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                             1.357 
_refine.overall_SU_ML                            0.052 
_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                         1 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.42 
_refine_hist.d_res_low                        50.62 
_refine_hist.number_atoms_solvent             84 
_refine_hist.number_atoms_total               1109 
_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        982 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         43 
_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' ? 0.012  0.013  1088 ? r_bond_refined_d             ? ? 
'X-RAY DIFFRACTION' ? 0.003  0.018  996  ? r_bond_other_d               ? ? 
'X-RAY DIFFRACTION' ? 1.627  1.723  1482 ? r_angle_refined_deg          ? ? 
'X-RAY DIFFRACTION' ? 1.525  1.639  2325 ? r_angle_other_deg            ? ? 
'X-RAY DIFFRACTION' ? 5.579  5.000  122  ? r_dihedral_angle_1_deg       ? ? 
'X-RAY DIFFRACTION' ? 40.101 22.951 61   ? r_dihedral_angle_2_deg       ? ? 
'X-RAY DIFFRACTION' ? 12.689 15.000 187  ? r_dihedral_angle_3_deg       ? ? 
'X-RAY DIFFRACTION' ? 9.039  15.000 7    ? r_dihedral_angle_4_deg       ? ? 
'X-RAY DIFFRACTION' ? 0.084  0.200  128  ? r_chiral_restr               ? ? 
'X-RAY DIFFRACTION' ? 0.009  0.020  1188 ? r_gen_planes_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.002  0.020  226  ? r_gen_planes_other           ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbd_refined                ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbd_other                  ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbtor_refined              ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbtor_other                ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_xyhbond_nbd_refined        ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_xyhbond_nbd_other          ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_metal_ion_refined          ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_metal_ion_other            ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_vdw_refined       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_vdw_other         ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_hbond_refined     ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_hbond_other       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_metal_ion_refined ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_metal_ion_other   ? ? 
'X-RAY DIFFRACTION' ? 1.620  2.137  482  ? r_mcbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 1.593  2.125  480  ? r_mcbond_other               ? ? 
'X-RAY DIFFRACTION' ? 2.415  3.196  606  ? r_mcangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 2.400  3.195  606  ? r_mcangle_other              ? ? 
'X-RAY DIFFRACTION' ? 2.488  2.429  604  ? r_scbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 2.489  2.433  605  ? r_scbond_other               ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_scangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 3.863  3.537  876  ? r_scangle_other              ? ? 
'X-RAY DIFFRACTION' ? 5.101  24.962 1288 ? r_long_range_B_refined       ? ? 
'X-RAY DIFFRACTION' ? 5.100  24.991 1289 ? r_long_range_B_other         ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_rigid_bond_restr           ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_sphericity_free            ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_sphericity_bonded          ? ? 
# 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_ls_shell.d_res_high                       1.421 
_refine_ls_shell.d_res_low                        1.458 
_refine_ls_shell.number_reflns_all                ? 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.number_reflns_R_free             124 
_refine_ls_shell.number_reflns_R_work             2062 
_refine_ls_shell.percent_reflns_obs               99.77 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_obs                     ? 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.R_factor_R_work                  0.300 
_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   20 
_refine_ls_shell.pdbx_phase_error                 ? 
_refine_ls_shell.pdbx_fsc_work                    ? 
_refine_ls_shell.pdbx_fsc_free                    ? 
_refine_ls_shell.R_factor_R_free                  0.276 
# 
_struct.entry_id                     9JUY 
_struct.title                        'X-ray crystal structure of Y16513 in CBP' 
_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        9JUY 
_struct_keywords.text            'CBP, Bromodomain, PROTEIN BINDING' 
_struct_keywords.pdbx_keywords   'PROTEIN BINDING' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    CBP_HUMAN 
_struct_ref.pdbx_db_accession          Q92793 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;RKKIFKPEELRQALMPTLEALYRQDPESLPFRQPVDPQLLGIPDYFDIVKNPMDLSTIKRKLDTGQYQEPWQYVDDVWLM
FNNAWLYNRKTSRVYKFCSKLAEVFEQEIDPVMQSLG
;
_struct_ref.pdbx_align_begin           1081 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9JUY 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 17 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 133 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             Q92793 
_struct_ref_seq.db_align_beg                  1081 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  1197 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       1081 
_struct_ref_seq.pdbx_auth_seq_align_end       1197 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 9JUY MET A 1  ? UNP Q92793 ? ? 'initiating methionine' 1065 1  
1 9JUY LYS A 2  ? UNP Q92793 ? ? 'expression tag'        1066 2  
1 9JUY LYS A 3  ? UNP Q92793 ? ? 'expression tag'        1067 3  
1 9JUY GLY A 4  ? UNP Q92793 ? ? 'expression tag'        1068 4  
1 9JUY HIS A 5  ? UNP Q92793 ? ? 'expression tag'        1069 5  
1 9JUY HIS A 6  ? UNP Q92793 ? ? 'expression tag'        1070 6  
1 9JUY HIS A 7  ? UNP Q92793 ? ? 'expression tag'        1071 7  
1 9JUY HIS A 8  ? UNP Q92793 ? ? 'expression tag'        1072 8  
1 9JUY HIS A 9  ? UNP Q92793 ? ? 'expression tag'        1073 9  
1 9JUY HIS A 10 ? UNP Q92793 ? ? 'expression tag'        1074 10 
1 9JUY LEU A 11 ? UNP Q92793 ? ? 'expression tag'        1075 11 
1 9JUY VAL A 12 ? UNP Q92793 ? ? 'expression tag'        1076 12 
1 9JUY PRO A 13 ? UNP Q92793 ? ? 'expression tag'        1077 13 
1 9JUY ARG A 14 ? UNP Q92793 ? ? 'expression tag'        1078 14 
1 9JUY GLY A 15 ? UNP Q92793 ? ? 'expression tag'        1079 15 
1 9JUY SER A 16 ? UNP Q92793 ? ? 'expression tag'        1080 16 
# 
_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,C,D 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 LYS A 22  ? ARG A 39  ? LYS A 1086 ARG A 1103 1 ? 18 
HELX_P HELX_P2 AA2 SER A 44  ? ARG A 48  ? SER A 1108 ARG A 1112 5 ? 5  
HELX_P HELX_P3 AA3 ASP A 52  ? GLY A 57  ? ASP A 1116 GLY A 1121 1 ? 6  
HELX_P HELX_P4 AA4 ASP A 60  ? VAL A 65  ? ASP A 1124 VAL A 1129 1 ? 6  
HELX_P HELX_P5 AA5 ASP A 70  ? THR A 80  ? ASP A 1134 THR A 1144 1 ? 11 
HELX_P HELX_P6 AA6 GLU A 85  ? ASN A 104 ? GLU A 1149 ASN A 1168 1 ? 20 
HELX_P HELX_P7 AA7 SER A 108 ? GLY A 133 ? SER A 1172 GLY A 1197 1 ? 26 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          ASP 
_struct_mon_prot_cis.label_seq_id           41 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           ASP 
_struct_mon_prot_cis.auth_seq_id            1105 
_struct_mon_prot_cis.auth_asym_id           A 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    42 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     1106 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    A 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       12.03 
# 
_pdbx_entry_details.entry_id                   9JUY 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 A HOH 1377 ? D HOH . 
2 1 A HOH 1382 ? D HOH . 
# 
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 1065 ? A MET 1  
2  1 Y 1 A LYS 1066 ? A LYS 2  
3  1 Y 1 A LYS 1067 ? A LYS 3  
4  1 Y 1 A GLY 1068 ? A GLY 4  
5  1 Y 1 A HIS 1069 ? A HIS 5  
6  1 Y 1 A HIS 1070 ? A HIS 6  
7  1 Y 1 A HIS 1071 ? A HIS 7  
8  1 Y 1 A HIS 1072 ? A HIS 8  
9  1 Y 1 A HIS 1073 ? A HIS 9  
10 1 Y 1 A HIS 1074 ? A HIS 10 
11 1 Y 1 A LEU 1075 ? A LEU 11 
12 1 Y 1 A VAL 1076 ? A VAL 12 
13 1 Y 1 A PRO 1077 ? A PRO 13 
14 1 Y 1 A ARG 1078 ? A ARG 14 
15 1 Y 1 A GLY 1079 ? A GLY 15 
16 1 Y 1 A SER 1080 ? A SER 16 
# 
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 
A1EDO CAS  C  N N 1   
A1EDO CAT  C  N N 2   
A1EDO OAU  O  N N 3   
A1EDO CAV  C  N N 4   
A1EDO CAW  C  N N 5   
A1EDO NAR  N  N N 6   
A1EDO CAQ  C  N S 7   
A1EDO CAX  C  N N 8   
A1EDO CAP  C  N N 9   
A1EDO NAM  N  Y N 10  
A1EDO CAL  C  Y N 11  
A1EDO CAK  C  Y N 12  
A1EDO CAF  C  Y N 13  
A1EDO CAA  C  Y N 14  
A1EDO CAB  C  Y N 15  
A1EDO CAI  C  Y N 16  
A1EDO CAJ  C  N N 17  
A1EDO NAH  N  Y N 18  
A1EDO OAG  O  Y N 19  
A1EDO CAC  C  Y N 20  
A1EDO CAD  C  Y N 21  
A1EDO CAE  C  Y N 22  
A1EDO NAO  N  Y N 23  
A1EDO CAN  C  Y N 24  
A1EDO CAY  C  N S 25  
A1EDO CAZ  C  N N 26  
A1EDO CBA  C  N N 27  
A1EDO CBB  C  N N 28  
A1EDO OBD  O  N N 29  
A1EDO NBC  N  N N 30  
A1EDO CBE  C  Y N 31  
A1EDO CBJ  C  Y N 32  
A1EDO CBI  C  Y N 33  
A1EDO CLBM CL N N 34  
A1EDO CBH  C  Y N 35  
A1EDO OBK  O  N N 36  
A1EDO CBL  C  N N 37  
A1EDO CBG  C  Y N 38  
A1EDO CBF  C  Y N 39  
A1EDO H1   H  N N 40  
A1EDO H2   H  N N 41  
A1EDO H3   H  N N 42  
A1EDO H4   H  N N 43  
A1EDO H5   H  N N 44  
A1EDO H6   H  N N 45  
A1EDO H7   H  N N 46  
A1EDO H8   H  N N 47  
A1EDO H10  H  N N 48  
A1EDO H11  H  N N 49  
A1EDO H12  H  N N 50  
A1EDO H13  H  N N 51  
A1EDO H14  H  N N 52  
A1EDO H15  H  N N 53  
A1EDO H16  H  N N 54  
A1EDO H17  H  N N 55  
A1EDO H18  H  N N 56  
A1EDO H19  H  N N 57  
A1EDO H20  H  N N 58  
A1EDO H21  H  N N 59  
A1EDO H22  H  N N 60  
A1EDO H23  H  N N 61  
A1EDO H24  H  N N 62  
A1EDO H25  H  N N 63  
A1EDO H26  H  N N 64  
A1EDO H27  H  N N 65  
A1EDO H28  H  N N 66  
A1EDO H29  H  N N 67  
A1EDO H30  H  N N 68  
A1EDO H31  H  N N 69  
A1EDO H32  H  N N 70  
A1EDO H33  H  N N 71  
ALA   N    N  N N 72  
ALA   CA   C  N S 73  
ALA   C    C  N N 74  
ALA   O    O  N N 75  
ALA   CB   C  N N 76  
ALA   OXT  O  N N 77  
ALA   H    H  N N 78  
ALA   H2   H  N N 79  
ALA   HA   H  N N 80  
ALA   HB1  H  N N 81  
ALA   HB2  H  N N 82  
ALA   HB3  H  N N 83  
ALA   HXT  H  N N 84  
ARG   N    N  N N 85  
ARG   CA   C  N S 86  
ARG   C    C  N N 87  
ARG   O    O  N N 88  
ARG   CB   C  N N 89  
ARG   CG   C  N N 90  
ARG   CD   C  N N 91  
ARG   NE   N  N N 92  
ARG   CZ   C  N N 93  
ARG   NH1  N  N N 94  
ARG   NH2  N  N N 95  
ARG   OXT  O  N N 96  
ARG   H    H  N N 97  
ARG   H2   H  N N 98  
ARG   HA   H  N N 99  
ARG   HB2  H  N N 100 
ARG   HB3  H  N N 101 
ARG   HG2  H  N N 102 
ARG   HG3  H  N N 103 
ARG   HD2  H  N N 104 
ARG   HD3  H  N N 105 
ARG   HE   H  N N 106 
ARG   HH11 H  N N 107 
ARG   HH12 H  N N 108 
ARG   HH21 H  N N 109 
ARG   HH22 H  N N 110 
ARG   HXT  H  N N 111 
ASN   N    N  N N 112 
ASN   CA   C  N S 113 
ASN   C    C  N N 114 
ASN   O    O  N N 115 
ASN   CB   C  N N 116 
ASN   CG   C  N N 117 
ASN   OD1  O  N N 118 
ASN   ND2  N  N N 119 
ASN   OXT  O  N N 120 
ASN   H    H  N N 121 
ASN   H2   H  N N 122 
ASN   HA   H  N N 123 
ASN   HB2  H  N N 124 
ASN   HB3  H  N N 125 
ASN   HD21 H  N N 126 
ASN   HD22 H  N N 127 
ASN   HXT  H  N N 128 
ASP   N    N  N N 129 
ASP   CA   C  N S 130 
ASP   C    C  N N 131 
ASP   O    O  N N 132 
ASP   CB   C  N N 133 
ASP   CG   C  N N 134 
ASP   OD1  O  N N 135 
ASP   OD2  O  N N 136 
ASP   OXT  O  N N 137 
ASP   H    H  N N 138 
ASP   H2   H  N N 139 
ASP   HA   H  N N 140 
ASP   HB2  H  N N 141 
ASP   HB3  H  N N 142 
ASP   HD2  H  N N 143 
ASP   HXT  H  N N 144 
CYS   N    N  N N 145 
CYS   CA   C  N R 146 
CYS   C    C  N N 147 
CYS   O    O  N N 148 
CYS   CB   C  N N 149 
CYS   SG   S  N N 150 
CYS   OXT  O  N N 151 
CYS   H    H  N N 152 
CYS   H2   H  N N 153 
CYS   HA   H  N N 154 
CYS   HB2  H  N N 155 
CYS   HB3  H  N N 156 
CYS   HG   H  N N 157 
CYS   HXT  H  N N 158 
DMS   S    S  N N 159 
DMS   O    O  N N 160 
DMS   C1   C  N N 161 
DMS   C2   C  N N 162 
DMS   H11  H  N N 163 
DMS   H12  H  N N 164 
DMS   H13  H  N N 165 
DMS   H21  H  N N 166 
DMS   H22  H  N N 167 
DMS   H23  H  N N 168 
GLN   N    N  N N 169 
GLN   CA   C  N S 170 
GLN   C    C  N N 171 
GLN   O    O  N N 172 
GLN   CB   C  N N 173 
GLN   CG   C  N N 174 
GLN   CD   C  N N 175 
GLN   OE1  O  N N 176 
GLN   NE2  N  N N 177 
GLN   OXT  O  N N 178 
GLN   H    H  N N 179 
GLN   H2   H  N N 180 
GLN   HA   H  N N 181 
GLN   HB2  H  N N 182 
GLN   HB3  H  N N 183 
GLN   HG2  H  N N 184 
GLN   HG3  H  N N 185 
GLN   HE21 H  N N 186 
GLN   HE22 H  N N 187 
GLN   HXT  H  N N 188 
GLU   N    N  N N 189 
GLU   CA   C  N S 190 
GLU   C    C  N N 191 
GLU   O    O  N N 192 
GLU   CB   C  N N 193 
GLU   CG   C  N N 194 
GLU   CD   C  N N 195 
GLU   OE1  O  N N 196 
GLU   OE2  O  N N 197 
GLU   OXT  O  N N 198 
GLU   H    H  N N 199 
GLU   H2   H  N N 200 
GLU   HA   H  N N 201 
GLU   HB2  H  N N 202 
GLU   HB3  H  N N 203 
GLU   HG2  H  N N 204 
GLU   HG3  H  N N 205 
GLU   HE2  H  N N 206 
GLU   HXT  H  N N 207 
GLY   N    N  N N 208 
GLY   CA   C  N N 209 
GLY   C    C  N N 210 
GLY   O    O  N N 211 
GLY   OXT  O  N N 212 
GLY   H    H  N N 213 
GLY   H2   H  N N 214 
GLY   HA2  H  N N 215 
GLY   HA3  H  N N 216 
GLY   HXT  H  N N 217 
HIS   N    N  N N 218 
HIS   CA   C  N S 219 
HIS   C    C  N N 220 
HIS   O    O  N N 221 
HIS   CB   C  N N 222 
HIS   CG   C  Y N 223 
HIS   ND1  N  Y N 224 
HIS   CD2  C  Y N 225 
HIS   CE1  C  Y N 226 
HIS   NE2  N  Y N 227 
HIS   OXT  O  N N 228 
HIS   H    H  N N 229 
HIS   H2   H  N N 230 
HIS   HA   H  N N 231 
HIS   HB2  H  N N 232 
HIS   HB3  H  N N 233 
HIS   HD1  H  N N 234 
HIS   HD2  H  N N 235 
HIS   HE1  H  N N 236 
HIS   HE2  H  N N 237 
HIS   HXT  H  N N 238 
HOH   O    O  N N 239 
HOH   H1   H  N N 240 
HOH   H2   H  N N 241 
ILE   N    N  N N 242 
ILE   CA   C  N S 243 
ILE   C    C  N N 244 
ILE   O    O  N N 245 
ILE   CB   C  N S 246 
ILE   CG1  C  N N 247 
ILE   CG2  C  N N 248 
ILE   CD1  C  N N 249 
ILE   OXT  O  N N 250 
ILE   H    H  N N 251 
ILE   H2   H  N N 252 
ILE   HA   H  N N 253 
ILE   HB   H  N N 254 
ILE   HG12 H  N N 255 
ILE   HG13 H  N N 256 
ILE   HG21 H  N N 257 
ILE   HG22 H  N N 258 
ILE   HG23 H  N N 259 
ILE   HD11 H  N N 260 
ILE   HD12 H  N N 261 
ILE   HD13 H  N N 262 
ILE   HXT  H  N N 263 
LEU   N    N  N N 264 
LEU   CA   C  N S 265 
LEU   C    C  N N 266 
LEU   O    O  N N 267 
LEU   CB   C  N N 268 
LEU   CG   C  N N 269 
LEU   CD1  C  N N 270 
LEU   CD2  C  N N 271 
LEU   OXT  O  N N 272 
LEU   H    H  N N 273 
LEU   H2   H  N N 274 
LEU   HA   H  N N 275 
LEU   HB2  H  N N 276 
LEU   HB3  H  N N 277 
LEU   HG   H  N N 278 
LEU   HD11 H  N N 279 
LEU   HD12 H  N N 280 
LEU   HD13 H  N N 281 
LEU   HD21 H  N N 282 
LEU   HD22 H  N N 283 
LEU   HD23 H  N N 284 
LEU   HXT  H  N N 285 
LYS   N    N  N N 286 
LYS   CA   C  N S 287 
LYS   C    C  N N 288 
LYS   O    O  N N 289 
LYS   CB   C  N N 290 
LYS   CG   C  N N 291 
LYS   CD   C  N N 292 
LYS   CE   C  N N 293 
LYS   NZ   N  N N 294 
LYS   OXT  O  N N 295 
LYS   H    H  N N 296 
LYS   H2   H  N N 297 
LYS   HA   H  N N 298 
LYS   HB2  H  N N 299 
LYS   HB3  H  N N 300 
LYS   HG2  H  N N 301 
LYS   HG3  H  N N 302 
LYS   HD2  H  N N 303 
LYS   HD3  H  N N 304 
LYS   HE2  H  N N 305 
LYS   HE3  H  N N 306 
LYS   HZ1  H  N N 307 
LYS   HZ2  H  N N 308 
LYS   HZ3  H  N N 309 
LYS   HXT  H  N N 310 
MET   N    N  N N 311 
MET   CA   C  N S 312 
MET   C    C  N N 313 
MET   O    O  N N 314 
MET   CB   C  N N 315 
MET   CG   C  N N 316 
MET   SD   S  N N 317 
MET   CE   C  N N 318 
MET   OXT  O  N N 319 
MET   H    H  N N 320 
MET   H2   H  N N 321 
MET   HA   H  N N 322 
MET   HB2  H  N N 323 
MET   HB3  H  N N 324 
MET   HG2  H  N N 325 
MET   HG3  H  N N 326 
MET   HE1  H  N N 327 
MET   HE2  H  N N 328 
MET   HE3  H  N N 329 
MET   HXT  H  N N 330 
PHE   N    N  N N 331 
PHE   CA   C  N S 332 
PHE   C    C  N N 333 
PHE   O    O  N N 334 
PHE   CB   C  N N 335 
PHE   CG   C  Y N 336 
PHE   CD1  C  Y N 337 
PHE   CD2  C  Y N 338 
PHE   CE1  C  Y N 339 
PHE   CE2  C  Y N 340 
PHE   CZ   C  Y N 341 
PHE   OXT  O  N N 342 
PHE   H    H  N N 343 
PHE   H2   H  N N 344 
PHE   HA   H  N N 345 
PHE   HB2  H  N N 346 
PHE   HB3  H  N N 347 
PHE   HD1  H  N N 348 
PHE   HD2  H  N N 349 
PHE   HE1  H  N N 350 
PHE   HE2  H  N N 351 
PHE   HZ   H  N N 352 
PHE   HXT  H  N N 353 
PRO   N    N  N N 354 
PRO   CA   C  N S 355 
PRO   C    C  N N 356 
PRO   O    O  N N 357 
PRO   CB   C  N N 358 
PRO   CG   C  N N 359 
PRO   CD   C  N N 360 
PRO   OXT  O  N N 361 
PRO   H    H  N N 362 
PRO   HA   H  N N 363 
PRO   HB2  H  N N 364 
PRO   HB3  H  N N 365 
PRO   HG2  H  N N 366 
PRO   HG3  H  N N 367 
PRO   HD2  H  N N 368 
PRO   HD3  H  N N 369 
PRO   HXT  H  N N 370 
SER   N    N  N N 371 
SER   CA   C  N S 372 
SER   C    C  N N 373 
SER   O    O  N N 374 
SER   CB   C  N N 375 
SER   OG   O  N N 376 
SER   OXT  O  N N 377 
SER   H    H  N N 378 
SER   H2   H  N N 379 
SER   HA   H  N N 380 
SER   HB2  H  N N 381 
SER   HB3  H  N N 382 
SER   HG   H  N N 383 
SER   HXT  H  N N 384 
THR   N    N  N N 385 
THR   CA   C  N S 386 
THR   C    C  N N 387 
THR   O    O  N N 388 
THR   CB   C  N R 389 
THR   OG1  O  N N 390 
THR   CG2  C  N N 391 
THR   OXT  O  N N 392 
THR   H    H  N N 393 
THR   H2   H  N N 394 
THR   HA   H  N N 395 
THR   HB   H  N N 396 
THR   HG1  H  N N 397 
THR   HG21 H  N N 398 
THR   HG22 H  N N 399 
THR   HG23 H  N N 400 
THR   HXT  H  N N 401 
TRP   N    N  N N 402 
TRP   CA   C  N S 403 
TRP   C    C  N N 404 
TRP   O    O  N N 405 
TRP   CB   C  N N 406 
TRP   CG   C  Y N 407 
TRP   CD1  C  Y N 408 
TRP   CD2  C  Y N 409 
TRP   NE1  N  Y N 410 
TRP   CE2  C  Y N 411 
TRP   CE3  C  Y N 412 
TRP   CZ2  C  Y N 413 
TRP   CZ3  C  Y N 414 
TRP   CH2  C  Y N 415 
TRP   OXT  O  N N 416 
TRP   H    H  N N 417 
TRP   H2   H  N N 418 
TRP   HA   H  N N 419 
TRP   HB2  H  N N 420 
TRP   HB3  H  N N 421 
TRP   HD1  H  N N 422 
TRP   HE1  H  N N 423 
TRP   HE3  H  N N 424 
TRP   HZ2  H  N N 425 
TRP   HZ3  H  N N 426 
TRP   HH2  H  N N 427 
TRP   HXT  H  N N 428 
TYR   N    N  N N 429 
TYR   CA   C  N S 430 
TYR   C    C  N N 431 
TYR   O    O  N N 432 
TYR   CB   C  N N 433 
TYR   CG   C  Y N 434 
TYR   CD1  C  Y N 435 
TYR   CD2  C  Y N 436 
TYR   CE1  C  Y N 437 
TYR   CE2  C  Y N 438 
TYR   CZ   C  Y N 439 
TYR   OH   O  N N 440 
TYR   OXT  O  N N 441 
TYR   H    H  N N 442 
TYR   H2   H  N N 443 
TYR   HA   H  N N 444 
TYR   HB2  H  N N 445 
TYR   HB3  H  N N 446 
TYR   HD1  H  N N 447 
TYR   HD2  H  N N 448 
TYR   HE1  H  N N 449 
TYR   HE2  H  N N 450 
TYR   HH   H  N N 451 
TYR   HXT  H  N N 452 
VAL   N    N  N N 453 
VAL   CA   C  N S 454 
VAL   C    C  N N 455 
VAL   O    O  N N 456 
VAL   CB   C  N N 457 
VAL   CG1  C  N N 458 
VAL   CG2  C  N N 459 
VAL   OXT  O  N N 460 
VAL   H    H  N N 461 
VAL   H2   H  N N 462 
VAL   HA   H  N N 463 
VAL   HB   H  N N 464 
VAL   HG11 H  N N 465 
VAL   HG12 H  N N 466 
VAL   HG13 H  N N 467 
VAL   HG21 H  N N 468 
VAL   HG22 H  N N 469 
VAL   HG23 H  N N 470 
VAL   HXT  H  N N 471 
# 
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 
A1EDO CAV OAU  sing N N 1   
A1EDO CAV CAW  sing N N 2   
A1EDO OAU CAT  sing N N 3   
A1EDO CBF CBG  doub Y N 4   
A1EDO CBF CBE  sing Y N 5   
A1EDO CBG CBH  sing Y N 6   
A1EDO CAW NAR  sing N N 7   
A1EDO CBL OBK  sing N N 8   
A1EDO OBD CBB  doub N N 9   
A1EDO CBB CBA  sing N N 10  
A1EDO CBB NBC  sing N N 11  
A1EDO CBA CAZ  sing N N 12  
A1EDO CAT CAS  sing N N 13  
A1EDO NAR CAS  sing N N 14  
A1EDO NAR CAQ  sing N N 15  
A1EDO NBC CBE  sing N N 16  
A1EDO NBC CAY  sing N N 17  
A1EDO CBE CBJ  doub Y N 18  
A1EDO CBH OBK  sing N N 19  
A1EDO CBH CBI  doub Y N 20  
A1EDO CAZ CAY  sing N N 21  
A1EDO CAY CAN  sing N N 22  
A1EDO CAQ CAP  sing N N 23  
A1EDO CAQ CAX  sing N N 24  
A1EDO CBI CBJ  sing Y N 25  
A1EDO CBI CLBM sing N N 26  
A1EDO CAP NAM  sing N N 27  
A1EDO CAN NAM  sing Y N 28  
A1EDO CAN NAO  doub Y N 29  
A1EDO NAM CAL  sing Y N 30  
A1EDO NAO CAK  sing Y N 31  
A1EDO CAL CAK  doub Y N 32  
A1EDO CAK CAF  sing N N 33  
A1EDO CAF CAE  doub Y N 34  
A1EDO CAF CAA  sing Y N 35  
A1EDO CAE CAD  sing Y N 36  
A1EDO CAA CAB  doub Y N 37  
A1EDO CAD CAC  doub Y N 38  
A1EDO CAB CAC  sing Y N 39  
A1EDO CAB CAI  sing Y N 40  
A1EDO CAC OAG  sing Y N 41  
A1EDO CAI CAJ  sing N N 42  
A1EDO CAI NAH  doub Y N 43  
A1EDO OAG NAH  sing Y N 44  
A1EDO CAS H1   sing N N 45  
A1EDO CAS H2   sing N N 46  
A1EDO CAT H3   sing N N 47  
A1EDO CAT H4   sing N N 48  
A1EDO CAV H5   sing N N 49  
A1EDO CAV H6   sing N N 50  
A1EDO CAW H7   sing N N 51  
A1EDO CAW H8   sing N N 52  
A1EDO CAQ H10  sing N N 53  
A1EDO CAX H11  sing N N 54  
A1EDO CAX H12  sing N N 55  
A1EDO CAX H13  sing N N 56  
A1EDO CAP H14  sing N N 57  
A1EDO CAP H15  sing N N 58  
A1EDO CAL H16  sing N N 59  
A1EDO CAA H17  sing N N 60  
A1EDO CAJ H18  sing N N 61  
A1EDO CAJ H19  sing N N 62  
A1EDO CAJ H20  sing N N 63  
A1EDO CAD H21  sing N N 64  
A1EDO CAE H22  sing N N 65  
A1EDO CAY H23  sing N N 66  
A1EDO CAZ H24  sing N N 67  
A1EDO CAZ H25  sing N N 68  
A1EDO CBA H26  sing N N 69  
A1EDO CBA H27  sing N N 70  
A1EDO CBJ H28  sing N N 71  
A1EDO CBL H29  sing N N 72  
A1EDO CBL H30  sing N N 73  
A1EDO CBL H31  sing N N 74  
A1EDO CBG H32  sing N N 75  
A1EDO CBF H33  sing N N 76  
ALA   N   CA   sing N N 77  
ALA   N   H    sing N N 78  
ALA   N   H2   sing N N 79  
ALA   CA  C    sing N N 80  
ALA   CA  CB   sing N N 81  
ALA   CA  HA   sing N N 82  
ALA   C   O    doub N N 83  
ALA   C   OXT  sing N N 84  
ALA   CB  HB1  sing N N 85  
ALA   CB  HB2  sing N N 86  
ALA   CB  HB3  sing N N 87  
ALA   OXT HXT  sing N N 88  
ARG   N   CA   sing N N 89  
ARG   N   H    sing N N 90  
ARG   N   H2   sing N N 91  
ARG   CA  C    sing N N 92  
ARG   CA  CB   sing N N 93  
ARG   CA  HA   sing N N 94  
ARG   C   O    doub N N 95  
ARG   C   OXT  sing N N 96  
ARG   CB  CG   sing N N 97  
ARG   CB  HB2  sing N N 98  
ARG   CB  HB3  sing N N 99  
ARG   CG  CD   sing N N 100 
ARG   CG  HG2  sing N N 101 
ARG   CG  HG3  sing N N 102 
ARG   CD  NE   sing N N 103 
ARG   CD  HD2  sing N N 104 
ARG   CD  HD3  sing N N 105 
ARG   NE  CZ   sing N N 106 
ARG   NE  HE   sing N N 107 
ARG   CZ  NH1  sing N N 108 
ARG   CZ  NH2  doub N N 109 
ARG   NH1 HH11 sing N N 110 
ARG   NH1 HH12 sing N N 111 
ARG   NH2 HH21 sing N N 112 
ARG   NH2 HH22 sing N N 113 
ARG   OXT HXT  sing N N 114 
ASN   N   CA   sing N N 115 
ASN   N   H    sing N N 116 
ASN   N   H2   sing N N 117 
ASN   CA  C    sing N N 118 
ASN   CA  CB   sing N N 119 
ASN   CA  HA   sing N N 120 
ASN   C   O    doub N N 121 
ASN   C   OXT  sing N N 122 
ASN   CB  CG   sing N N 123 
ASN   CB  HB2  sing N N 124 
ASN   CB  HB3  sing N N 125 
ASN   CG  OD1  doub N N 126 
ASN   CG  ND2  sing N N 127 
ASN   ND2 HD21 sing N N 128 
ASN   ND2 HD22 sing N N 129 
ASN   OXT HXT  sing N N 130 
ASP   N   CA   sing N N 131 
ASP   N   H    sing N N 132 
ASP   N   H2   sing N N 133 
ASP   CA  C    sing N N 134 
ASP   CA  CB   sing N N 135 
ASP   CA  HA   sing N N 136 
ASP   C   O    doub N N 137 
ASP   C   OXT  sing N N 138 
ASP   CB  CG   sing N N 139 
ASP   CB  HB2  sing N N 140 
ASP   CB  HB3  sing N N 141 
ASP   CG  OD1  doub N N 142 
ASP   CG  OD2  sing N N 143 
ASP   OD2 HD2  sing N N 144 
ASP   OXT HXT  sing N N 145 
CYS   N   CA   sing N N 146 
CYS   N   H    sing N N 147 
CYS   N   H2   sing N N 148 
CYS   CA  C    sing N N 149 
CYS   CA  CB   sing N N 150 
CYS   CA  HA   sing N N 151 
CYS   C   O    doub N N 152 
CYS   C   OXT  sing N N 153 
CYS   CB  SG   sing N N 154 
CYS   CB  HB2  sing N N 155 
CYS   CB  HB3  sing N N 156 
CYS   SG  HG   sing N N 157 
CYS   OXT HXT  sing N N 158 
DMS   S   O    doub N N 159 
DMS   S   C1   sing N N 160 
DMS   S   C2   sing N N 161 
DMS   C1  H11  sing N N 162 
DMS   C1  H12  sing N N 163 
DMS   C1  H13  sing N N 164 
DMS   C2  H21  sing N N 165 
DMS   C2  H22  sing N N 166 
DMS   C2  H23  sing N N 167 
GLN   N   CA   sing N N 168 
GLN   N   H    sing N N 169 
GLN   N   H2   sing N N 170 
GLN   CA  C    sing N N 171 
GLN   CA  CB   sing N N 172 
GLN   CA  HA   sing N N 173 
GLN   C   O    doub N N 174 
GLN   C   OXT  sing N N 175 
GLN   CB  CG   sing N N 176 
GLN   CB  HB2  sing N N 177 
GLN   CB  HB3  sing N N 178 
GLN   CG  CD   sing N N 179 
GLN   CG  HG2  sing N N 180 
GLN   CG  HG3  sing N N 181 
GLN   CD  OE1  doub N N 182 
GLN   CD  NE2  sing N N 183 
GLN   NE2 HE21 sing N N 184 
GLN   NE2 HE22 sing N N 185 
GLN   OXT HXT  sing N N 186 
GLU   N   CA   sing N N 187 
GLU   N   H    sing N N 188 
GLU   N   H2   sing N N 189 
GLU   CA  C    sing N N 190 
GLU   CA  CB   sing N N 191 
GLU   CA  HA   sing N N 192 
GLU   C   O    doub N N 193 
GLU   C   OXT  sing N N 194 
GLU   CB  CG   sing N N 195 
GLU   CB  HB2  sing N N 196 
GLU   CB  HB3  sing N N 197 
GLU   CG  CD   sing N N 198 
GLU   CG  HG2  sing N N 199 
GLU   CG  HG3  sing N N 200 
GLU   CD  OE1  doub N N 201 
GLU   CD  OE2  sing N N 202 
GLU   OE2 HE2  sing N N 203 
GLU   OXT HXT  sing N N 204 
GLY   N   CA   sing N N 205 
GLY   N   H    sing N N 206 
GLY   N   H2   sing N N 207 
GLY   CA  C    sing N N 208 
GLY   CA  HA2  sing N N 209 
GLY   CA  HA3  sing N N 210 
GLY   C   O    doub N N 211 
GLY   C   OXT  sing N N 212 
GLY   OXT HXT  sing N N 213 
HIS   N   CA   sing N N 214 
HIS   N   H    sing N N 215 
HIS   N   H2   sing N N 216 
HIS   CA  C    sing N N 217 
HIS   CA  CB   sing N N 218 
HIS   CA  HA   sing N N 219 
HIS   C   O    doub N N 220 
HIS   C   OXT  sing N N 221 
HIS   CB  CG   sing N N 222 
HIS   CB  HB2  sing N N 223 
HIS   CB  HB3  sing N N 224 
HIS   CG  ND1  sing Y N 225 
HIS   CG  CD2  doub Y N 226 
HIS   ND1 CE1  doub Y N 227 
HIS   ND1 HD1  sing N N 228 
HIS   CD2 NE2  sing Y N 229 
HIS   CD2 HD2  sing N N 230 
HIS   CE1 NE2  sing Y N 231 
HIS   CE1 HE1  sing N N 232 
HIS   NE2 HE2  sing N N 233 
HIS   OXT HXT  sing N N 234 
HOH   O   H1   sing N N 235 
HOH   O   H2   sing N N 236 
ILE   N   CA   sing N N 237 
ILE   N   H    sing N N 238 
ILE   N   H2   sing N N 239 
ILE   CA  C    sing N N 240 
ILE   CA  CB   sing N N 241 
ILE   CA  HA   sing N N 242 
ILE   C   O    doub N N 243 
ILE   C   OXT  sing N N 244 
ILE   CB  CG1  sing N N 245 
ILE   CB  CG2  sing N N 246 
ILE   CB  HB   sing N N 247 
ILE   CG1 CD1  sing N N 248 
ILE   CG1 HG12 sing N N 249 
ILE   CG1 HG13 sing N N 250 
ILE   CG2 HG21 sing N N 251 
ILE   CG2 HG22 sing N N 252 
ILE   CG2 HG23 sing N N 253 
ILE   CD1 HD11 sing N N 254 
ILE   CD1 HD12 sing N N 255 
ILE   CD1 HD13 sing N N 256 
ILE   OXT HXT  sing N N 257 
LEU   N   CA   sing N N 258 
LEU   N   H    sing N N 259 
LEU   N   H2   sing N N 260 
LEU   CA  C    sing N N 261 
LEU   CA  CB   sing N N 262 
LEU   CA  HA   sing N N 263 
LEU   C   O    doub N N 264 
LEU   C   OXT  sing N N 265 
LEU   CB  CG   sing N N 266 
LEU   CB  HB2  sing N N 267 
LEU   CB  HB3  sing N N 268 
LEU   CG  CD1  sing N N 269 
LEU   CG  CD2  sing N N 270 
LEU   CG  HG   sing N N 271 
LEU   CD1 HD11 sing N N 272 
LEU   CD1 HD12 sing N N 273 
LEU   CD1 HD13 sing N N 274 
LEU   CD2 HD21 sing N N 275 
LEU   CD2 HD22 sing N N 276 
LEU   CD2 HD23 sing N N 277 
LEU   OXT HXT  sing N N 278 
LYS   N   CA   sing N N 279 
LYS   N   H    sing N N 280 
LYS   N   H2   sing N N 281 
LYS   CA  C    sing N N 282 
LYS   CA  CB   sing N N 283 
LYS   CA  HA   sing N N 284 
LYS   C   O    doub N N 285 
LYS   C   OXT  sing N N 286 
LYS   CB  CG   sing N N 287 
LYS   CB  HB2  sing N N 288 
LYS   CB  HB3  sing N N 289 
LYS   CG  CD   sing N N 290 
LYS   CG  HG2  sing N N 291 
LYS   CG  HG3  sing N N 292 
LYS   CD  CE   sing N N 293 
LYS   CD  HD2  sing N N 294 
LYS   CD  HD3  sing N N 295 
LYS   CE  NZ   sing N N 296 
LYS   CE  HE2  sing N N 297 
LYS   CE  HE3  sing N N 298 
LYS   NZ  HZ1  sing N N 299 
LYS   NZ  HZ2  sing N N 300 
LYS   NZ  HZ3  sing N N 301 
LYS   OXT HXT  sing N N 302 
MET   N   CA   sing N N 303 
MET   N   H    sing N N 304 
MET   N   H2   sing N N 305 
MET   CA  C    sing N N 306 
MET   CA  CB   sing N N 307 
MET   CA  HA   sing N N 308 
MET   C   O    doub N N 309 
MET   C   OXT  sing N N 310 
MET   CB  CG   sing N N 311 
MET   CB  HB2  sing N N 312 
MET   CB  HB3  sing N N 313 
MET   CG  SD   sing N N 314 
MET   CG  HG2  sing N N 315 
MET   CG  HG3  sing N N 316 
MET   SD  CE   sing N N 317 
MET   CE  HE1  sing N N 318 
MET   CE  HE2  sing N N 319 
MET   CE  HE3  sing N N 320 
MET   OXT HXT  sing N N 321 
PHE   N   CA   sing N N 322 
PHE   N   H    sing N N 323 
PHE   N   H2   sing N N 324 
PHE   CA  C    sing N N 325 
PHE   CA  CB   sing N N 326 
PHE   CA  HA   sing N N 327 
PHE   C   O    doub N N 328 
PHE   C   OXT  sing N N 329 
PHE   CB  CG   sing N N 330 
PHE   CB  HB2  sing N N 331 
PHE   CB  HB3  sing N N 332 
PHE   CG  CD1  doub Y N 333 
PHE   CG  CD2  sing Y N 334 
PHE   CD1 CE1  sing Y N 335 
PHE   CD1 HD1  sing N N 336 
PHE   CD2 CE2  doub Y N 337 
PHE   CD2 HD2  sing N N 338 
PHE   CE1 CZ   doub Y N 339 
PHE   CE1 HE1  sing N N 340 
PHE   CE2 CZ   sing Y N 341 
PHE   CE2 HE2  sing N N 342 
PHE   CZ  HZ   sing N N 343 
PHE   OXT HXT  sing N N 344 
PRO   N   CA   sing N N 345 
PRO   N   CD   sing N N 346 
PRO   N   H    sing N N 347 
PRO   CA  C    sing N N 348 
PRO   CA  CB   sing N N 349 
PRO   CA  HA   sing N N 350 
PRO   C   O    doub N N 351 
PRO   C   OXT  sing N N 352 
PRO   CB  CG   sing N N 353 
PRO   CB  HB2  sing N N 354 
PRO   CB  HB3  sing N N 355 
PRO   CG  CD   sing N N 356 
PRO   CG  HG2  sing N N 357 
PRO   CG  HG3  sing N N 358 
PRO   CD  HD2  sing N N 359 
PRO   CD  HD3  sing N N 360 
PRO   OXT HXT  sing N N 361 
SER   N   CA   sing N N 362 
SER   N   H    sing N N 363 
SER   N   H2   sing N N 364 
SER   CA  C    sing N N 365 
SER   CA  CB   sing N N 366 
SER   CA  HA   sing N N 367 
SER   C   O    doub N N 368 
SER   C   OXT  sing N N 369 
SER   CB  OG   sing N N 370 
SER   CB  HB2  sing N N 371 
SER   CB  HB3  sing N N 372 
SER   OG  HG   sing N N 373 
SER   OXT HXT  sing N N 374 
THR   N   CA   sing N N 375 
THR   N   H    sing N N 376 
THR   N   H2   sing N N 377 
THR   CA  C    sing N N 378 
THR   CA  CB   sing N N 379 
THR   CA  HA   sing N N 380 
THR   C   O    doub N N 381 
THR   C   OXT  sing N N 382 
THR   CB  OG1  sing N N 383 
THR   CB  CG2  sing N N 384 
THR   CB  HB   sing N N 385 
THR   OG1 HG1  sing N N 386 
THR   CG2 HG21 sing N N 387 
THR   CG2 HG22 sing N N 388 
THR   CG2 HG23 sing N N 389 
THR   OXT HXT  sing N N 390 
TRP   N   CA   sing N N 391 
TRP   N   H    sing N N 392 
TRP   N   H2   sing N N 393 
TRP   CA  C    sing N N 394 
TRP   CA  CB   sing N N 395 
TRP   CA  HA   sing N N 396 
TRP   C   O    doub N N 397 
TRP   C   OXT  sing N N 398 
TRP   CB  CG   sing N N 399 
TRP   CB  HB2  sing N N 400 
TRP   CB  HB3  sing N N 401 
TRP   CG  CD1  doub Y N 402 
TRP   CG  CD2  sing Y N 403 
TRP   CD1 NE1  sing Y N 404 
TRP   CD1 HD1  sing N N 405 
TRP   CD2 CE2  doub Y N 406 
TRP   CD2 CE3  sing Y N 407 
TRP   NE1 CE2  sing Y N 408 
TRP   NE1 HE1  sing N N 409 
TRP   CE2 CZ2  sing Y N 410 
TRP   CE3 CZ3  doub Y N 411 
TRP   CE3 HE3  sing N N 412 
TRP   CZ2 CH2  doub Y N 413 
TRP   CZ2 HZ2  sing N N 414 
TRP   CZ3 CH2  sing Y N 415 
TRP   CZ3 HZ3  sing N N 416 
TRP   CH2 HH2  sing N N 417 
TRP   OXT HXT  sing N N 418 
TYR   N   CA   sing N N 419 
TYR   N   H    sing N N 420 
TYR   N   H2   sing N N 421 
TYR   CA  C    sing N N 422 
TYR   CA  CB   sing N N 423 
TYR   CA  HA   sing N N 424 
TYR   C   O    doub N N 425 
TYR   C   OXT  sing N N 426 
TYR   CB  CG   sing N N 427 
TYR   CB  HB2  sing N N 428 
TYR   CB  HB3  sing N N 429 
TYR   CG  CD1  doub Y N 430 
TYR   CG  CD2  sing Y N 431 
TYR   CD1 CE1  sing Y N 432 
TYR   CD1 HD1  sing N N 433 
TYR   CD2 CE2  doub Y N 434 
TYR   CD2 HD2  sing N N 435 
TYR   CE1 CZ   doub Y N 436 
TYR   CE1 HE1  sing N N 437 
TYR   CE2 CZ   sing Y N 438 
TYR   CE2 HE2  sing N N 439 
TYR   CZ  OH   sing N N 440 
TYR   OH  HH   sing N N 441 
TYR   OXT HXT  sing N N 442 
VAL   N   CA   sing N N 443 
VAL   N   H    sing N N 444 
VAL   N   H2   sing N N 445 
VAL   CA  C    sing N N 446 
VAL   CA  CB   sing N N 447 
VAL   CA  HA   sing N N 448 
VAL   C   O    doub N N 449 
VAL   C   OXT  sing N N 450 
VAL   CB  CG1  sing N N 451 
VAL   CB  CG2  sing N N 452 
VAL   CB  HB   sing N N 453 
VAL   CG1 HG11 sing N N 454 
VAL   CG1 HG12 sing N N 455 
VAL   CG1 HG13 sing N N 456 
VAL   CG2 HG21 sing N N 457 
VAL   CG2 HG22 sing N N 458 
VAL   CG2 HG23 sing N N 459 
VAL   OXT HXT  sing N N 460 
# 
_pdbx_audit_support.funding_organization   'Ministry of Science and Technology (MoST, China)' 
_pdbx_audit_support.country                China 
_pdbx_audit_support.grant_number           2022YFE0210600 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   5XXH 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9JUY 
_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]   0.020640 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   -0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.017746 
_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]   0.008723 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
C  
CL 
N  
O  
S  
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N  N    . ARG   A 1 17  ? -0.461  19.338 39.635 1.00 45.66 ? 1081 ARG   A N    1 
ATOM   2    C  CA   . ARG   A 1 17  ? -0.403  19.488 38.152 1.00 42.90 ? 1081 ARG   A CA   1 
ATOM   3    C  C    . ARG   A 1 17  ? -1.340  18.492 37.457 1.00 36.71 ? 1081 ARG   A C    1 
ATOM   4    O  O    . ARG   A 1 17  ? -1.374  18.534 36.219 1.00 37.50 ? 1081 ARG   A O    1 
ATOM   5    C  CB   . ARG   A 1 17  ? 1.025   19.282 37.636 1.00 48.07 ? 1081 ARG   A CB   1 
ATOM   6    C  CG   . ARG   A 1 17  ? 1.480   17.829 37.559 1.00 51.57 ? 1081 ARG   A CG   1 
ATOM   7    C  CD   . ARG   A 1 17  ? 2.880   17.669 36.988 1.00 58.89 ? 1081 ARG   A CD   1 
ATOM   8    N  NE   . ARG   A 1 17  ? 3.862   18.307 37.852 1.00 63.39 ? 1081 ARG   A NE   1 
ATOM   9    C  CZ   . ARG   A 1 17  ? 4.208   19.594 37.813 1.00 67.73 ? 1081 ARG   A CZ   1 
ATOM   10   N  NH1  . ARG   A 1 17  ? 3.670   20.427 36.935 1.00 66.67 ? 1081 ARG   A NH1  1 
ATOM   11   N  NH2  . ARG   A 1 17  ? 5.101   20.047 38.673 1.00 72.32 ? 1081 ARG   A NH2  1 
ATOM   12   N  N    . LYS   A 1 18  ? -2.004  17.600 38.207 1.00 30.46 ? 1082 LYS   A N    1 
ATOM   13   C  CA   . LYS   A 1 18  ? -3.052  16.704 37.665 1.00 26.77 ? 1082 LYS   A CA   1 
ATOM   14   C  C    . LYS   A 1 18  ? -4.130  17.546 36.975 1.00 24.89 ? 1082 LYS   A C    1 
ATOM   15   O  O    . LYS   A 1 18  ? -4.530  18.616 37.475 1.00 21.90 ? 1082 LYS   A O    1 
ATOM   16   C  CB   . LYS   A 1 18  ? -3.706  15.843 38.746 1.00 27.32 ? 1082 LYS   A CB   1 
ATOM   17   C  CG   . LYS   A 1 18  ? -2.880  14.678 39.263 1.00 31.26 ? 1082 LYS   A CG   1 
ATOM   18   C  CD   . LYS   A 1 18  ? -3.709  13.692 40.049 1.00 34.93 ? 1082 LYS   A CD   1 
ATOM   19   C  CE   . LYS   A 1 18  ? -2.945  12.449 40.441 1.00 39.28 ? 1082 LYS   A CE   1 
ATOM   20   N  NZ   . LYS   A 1 18  ? -2.123  12.685 41.649 1.00 42.01 ? 1082 LYS   A NZ   1 
ATOM   21   N  N    . LYS   A 1 19  ? -4.595  17.080 35.827 1.00 21.64 ? 1083 LYS   A N    1 
ATOM   22   C  CA   . LYS   A 1 19  ? -5.696  17.713 35.089 1.00 21.02 ? 1083 LYS   A CA   1 
ATOM   23   C  C    . LYS   A 1 19  ? -6.346  16.640 34.224 1.00 20.98 ? 1083 LYS   A C    1 
ATOM   24   O  O    . LYS   A 1 19  ? -5.596  15.882 33.574 1.00 22.08 ? 1083 LYS   A O    1 
ATOM   25   C  CB   . LYS   A 1 19  ? -5.192  18.872 34.234 1.00 22.76 ? 1083 LYS   A CB   1 
ATOM   26   C  CG   . LYS   A 1 19  ? -6.263  19.485 33.356 1.00 26.01 ? 1083 LYS   A CG   1 
ATOM   27   C  CD   . LYS   A 1 19  ? -5.889  20.803 32.750 1.00 31.45 ? 1083 LYS   A CD   1 
ATOM   28   C  CE   . LYS   A 1 19  ? -7.030  21.363 31.934 1.00 35.10 ? 1083 LYS   A CE   1 
ATOM   29   N  NZ   . LYS   A 1 19  ? -6.782  22.770 31.552 1.00 39.85 ? 1083 LYS   A NZ   1 
ATOM   30   N  N    . ILE   A 1 20  ? -7.666  16.594 34.188 1.00 19.62 ? 1084 ILE   A N    1 
ATOM   31   C  CA   . ILE   A 1 20  ? -8.400  15.683 33.276 1.00 19.23 ? 1084 ILE   A CA   1 
ATOM   32   C  C    . ILE   A 1 20  ? -8.701  16.475 32.016 1.00 21.41 ? 1084 ILE   A C    1 
ATOM   33   O  O    . ILE   A 1 20  ? -9.376  17.490 32.109 1.00 22.18 ? 1084 ILE   A O    1 
ATOM   34   C  CB   . ILE   A 1 20  ? -9.679  15.135 33.923 1.00 19.98 ? 1084 ILE   A CB   1 
ATOM   35   C  CG1  . ILE   A 1 20  ? -9.365  14.243 35.119 1.00 20.55 ? 1084 ILE   A CG1  1 
ATOM   36   C  CG2  . ILE   A 1 20  ? -10.539 14.410 32.892 1.00 20.88 ? 1084 ILE   A CG2  1 
ATOM   37   C  CD1  . ILE   A 1 20  ? -10.510 14.133 36.106 1.00 20.56 ? 1084 ILE   A CD1  1 
ATOM   38   N  N    . PHE   A 1 21  ? -8.299  15.939 30.863 1.00 22.33 ? 1085 PHE   A N    1 
ATOM   39   C  CA   . PHE   A 1 21  ? -8.535  16.526 29.528 1.00 25.42 ? 1085 PHE   A CA   1 
ATOM   40   C  C    . PHE   A 1 21  ? -9.603  15.721 28.787 1.00 28.81 ? 1085 PHE   A C    1 
ATOM   41   O  O    . PHE   A 1 21  ? -9.606  14.479 28.930 1.00 32.80 ? 1085 PHE   A O    1 
ATOM   42   C  CB   . PHE   A 1 21  ? -7.246  16.469 28.715 1.00 23.61 ? 1085 PHE   A CB   1 
ATOM   43   C  CG   . PHE   A 1 21  ? -6.141  17.356 29.223 1.00 22.37 ? 1085 PHE   A CG   1 
ATOM   44   C  CD1  . PHE   A 1 21  ? -6.049  18.658 28.766 1.00 23.41 ? 1085 PHE   A CD1  1 
ATOM   45   C  CD2  . PHE   A 1 21  ? -5.206  16.905 30.136 1.00 21.33 ? 1085 PHE   A CD2  1 
ATOM   46   C  CE1  . PHE   A 1 21  ? -5.024  19.481 29.200 1.00 24.16 ? 1085 PHE   A CE1  1 
ATOM   47   C  CE2  . PHE   A 1 21  ? -4.179  17.735 30.574 1.00 22.34 ? 1085 PHE   A CE2  1 
ATOM   48   C  CZ   . PHE   A 1 21  ? -4.089  19.016 30.084 1.00 23.43 ? 1085 PHE   A CZ   1 
ATOM   49   N  N    . LYS   A 1 22  ? -10.452 16.393 28.009 1.00 32.17 ? 1086 LYS   A N    1 
ATOM   50   C  CA   . LYS   A 1 22  ? -11.337 15.720 27.013 1.00 33.00 ? 1086 LYS   A CA   1 
ATOM   51   C  C    . LYS   A 1 22  ? -10.482 15.305 25.812 1.00 32.26 ? 1086 LYS   A C    1 
ATOM   52   O  O    . LYS   A 1 22  ? -9.589  16.040 25.406 1.00 29.66 ? 1086 LYS   A O    1 
ATOM   53   C  CB   . LYS   A 1 22  ? -12.476 16.651 26.591 1.00 37.47 ? 1086 LYS   A CB   1 
ATOM   54   C  CG   . LYS   A 1 22  ? -13.389 17.138 27.713 1.00 42.08 ? 1086 LYS   A CG   1 
ATOM   55   C  CD   . LYS   A 1 22  ? -13.849 18.583 27.539 1.00 46.89 ? 1086 LYS   A CD   1 
ATOM   56   C  CE   . LYS   A 1 22  ? -14.886 18.776 26.453 1.00 50.48 ? 1086 LYS   A CE   1 
ATOM   57   N  NZ   . LYS   A 1 22  ? -16.251 18.440 26.924 1.00 50.71 ? 1086 LYS   A NZ   1 
ATOM   58   N  N    . PRO   A 1 23  ? -10.658 14.096 25.227 1.00 29.63 ? 1087 PRO   A N    1 
ATOM   59   C  CA   . PRO   A 1 23  ? -9.847  13.700 24.078 1.00 32.03 ? 1087 PRO   A CA   1 
ATOM   60   C  C    . PRO   A 1 23  ? -9.950  14.715 22.926 1.00 28.91 ? 1087 PRO   A C    1 
ATOM   61   O  O    . PRO   A 1 23  ? -8.964  14.963 22.276 1.00 28.30 ? 1087 PRO   A O    1 
ATOM   62   C  CB   . PRO   A 1 23  ? -10.352 12.306 23.665 1.00 31.84 ? 1087 PRO   A CB   1 
ATOM   63   C  CG   . PRO   A 1 23  ? -11.470 11.942 24.640 1.00 32.52 ? 1087 PRO   A CG   1 
ATOM   64   C  CD   . PRO   A 1 23  ? -11.560 13.034 25.692 1.00 31.65 ? 1087 PRO   A CD   1 
ATOM   65   N  N    . GLU   A 1 24  ? -11.131 15.291 22.683 1.00 29.46 ? 1088 GLU   A N    1 
ATOM   66   C  CA   . GLU   A 1 24  ? -11.285 16.259 21.570 1.00 30.06 ? 1088 GLU   A CA   1 
ATOM   67   C  C    . GLU   A 1 24  ? -10.479 17.530 21.872 1.00 29.04 ? 1088 GLU   A C    1 
ATOM   68   O  O    . GLU   A 1 24  ? -9.913  18.098 20.941 1.00 28.76 ? 1088 GLU   A O    1 
ATOM   69   C  CB   . GLU   A 1 24  ? -12.751 16.589 21.271 1.00 34.48 ? 1088 GLU   A CB   1 
ATOM   70   C  CG   . GLU   A 1 24  ? -12.913 17.455 20.027 1.00 36.76 ? 1088 GLU   A CG   1 
ATOM   71   C  CD   . GLU   A 1 24  ? -12.348 16.880 18.729 1.00 40.39 ? 1088 GLU   A CD   1 
ATOM   72   O  OE1  . GLU   A 1 24  ? -12.109 15.648 18.657 1.00 40.53 ? 1088 GLU   A OE1  1 
ATOM   73   O  OE2  . GLU   A 1 24  ? -12.145 17.667 17.784 1.00 45.27 ? 1088 GLU   A OE2  1 
ATOM   74   N  N    . GLU   A 1 25  ? -10.357 17.950 23.129 1.00 30.44 ? 1089 GLU   A N    1 
ATOM   75   C  CA   . GLU   A 1 25  ? -9.568  19.169 23.448 1.00 30.36 ? 1089 GLU   A CA   1 
ATOM   76   C  C    . GLU   A 1 25  ? -8.076  18.855 23.235 1.00 29.81 ? 1089 GLU   A C    1 
ATOM   77   O  O    . GLU   A 1 25  ? -7.378  19.708 22.640 1.00 29.57 ? 1089 GLU   A O    1 
ATOM   78   C  CB   . GLU   A 1 25  ? -9.948  19.735 24.826 1.00 38.15 ? 1089 GLU   A CB   1 
ATOM   79   C  CG   . GLU   A 1 25  ? -8.936  19.466 25.927 1.00 41.55 ? 1089 GLU   A CG   1 
ATOM   80   C  CD   . GLU   A 1 25  ? -9.324  19.980 27.310 1.00 46.38 ? 1089 GLU   A CD   1 
ATOM   81   O  OE1  . GLU   A 1 25  ? -8.673  20.947 27.779 1.00 49.21 ? 1089 GLU   A OE1  1 
ATOM   82   O  OE2  . GLU   A 1 25  ? -10.260 19.404 27.925 1.00 41.41 ? 1089 GLU   A OE2  1 
ATOM   83   N  N    . LEU   A 1 26  ? -7.593  17.668 23.617 1.00 28.51 ? 1090 LEU   A N    1 
ATOM   84   C  CA   . LEU   A 1 26  ? -6.189  17.244 23.340 1.00 28.70 ? 1090 LEU   A CA   1 
ATOM   85   C  C    . LEU   A 1 26  ? -5.961  17.149 21.844 1.00 25.92 ? 1090 LEU   A C    1 
ATOM   86   O  O    . LEU   A 1 26  ? -4.903  17.588 21.396 1.00 24.73 ? 1090 LEU   A O    1 
ATOM   87   C  CB   . LEU   A 1 26  ? -5.871  15.879 23.946 1.00 30.16 ? 1090 LEU   A CB   1 
ATOM   88   C  CG   . LEU   A 1 26  ? -5.542  15.892 25.426 1.00 29.08 ? 1090 LEU   A CG   1 
ATOM   89   C  CD1  . LEU   A 1 26  ? -5.134  14.501 25.869 1.00 31.19 ? 1090 LEU   A CD1  1 
ATOM   90   C  CD2  . LEU   A 1 26  ? -4.460  16.908 25.737 1.00 29.97 ? 1090 LEU   A CD2  1 
ATOM   91   N  N    . ARG   A 1 27  ? -6.873  16.488 21.125 1.00 24.48 ? 1091 ARG   A N    1 
ATOM   92   C  CA   . ARG   A 1 27  ? -6.728  16.312 19.668 1.00 25.79 ? 1091 ARG   A CA   1 
ATOM   93   C  C    . ARG   A 1 27  ? -6.571  17.701 19.052 1.00 24.73 ? 1091 ARG   A C    1 
ATOM   94   O  O    . ARG   A 1 27  ? -5.641  17.922 18.278 1.00 26.40 ? 1091 ARG   A O    1 
ATOM   95   C  CB   . ARG   A 1 27  ? -7.924  15.536 19.116 1.00 28.20 ? 1091 ARG   A CB   1 
ATOM   96   C  CG   . ARG   A 1 27  ? -7.740  15.099 17.676 1.00 30.68 ? 1091 ARG   A CG   1 
ATOM   97   C  CD   . ARG   A 1 27  ? -8.975  14.416 17.145 1.00 33.84 ? 1091 ARG   A CD   1 
ATOM   98   N  NE   . ARG   A 1 27  ? -8.744  13.967 15.782 1.00 37.41 ? 1091 ARG   A NE   1 
ATOM   99   N  N    . GLN   A 1 28  ? -7.462  18.627 19.394 1.00 23.50 ? 1092 GLN   A N    1 
ATOM   100  C  CA   . GLN   A 1 28  ? -7.427  19.982 18.785 1.00 26.88 ? 1092 GLN   A CA   1 
ATOM   101  C  C    . GLN   A 1 28  ? -6.124  20.716 19.125 1.00 24.76 ? 1092 GLN   A C    1 
ATOM   102  O  O    . GLN   A 1 28  ? -5.621  21.423 18.236 1.00 26.96 ? 1092 GLN   A O    1 
ATOM   103  C  CB   . GLN   A 1 28  ? -8.660  20.799 19.186 1.00 30.44 ? 1092 GLN   A CB   1 
ATOM   104  C  CG   . GLN   A 1 28  ? -9.950  20.295 18.544 1.00 36.17 ? 1092 GLN   A CG   1 
ATOM   105  C  CD   . GLN   A 1 28  ? -9.843  20.095 17.050 1.00 42.09 ? 1092 GLN   A CD   1 
ATOM   106  O  OE1  . GLN   A 1 28  ? -10.114 19.017 16.525 1.00 50.68 ? 1092 GLN   A OE1  1 
ATOM   107  N  NE2  . GLN   A 1 28  ? -9.444  21.142 16.345 1.00 48.90 ? 1092 GLN   A NE2  1 
ATOM   108  N  N    . ALA   A 1 29  ? -5.576  20.581 20.336 1.00 23.40 ? 1093 ALA   A N    1 
ATOM   109  C  CA   . ALA   A 1 29  ? -4.335  21.277 20.746 1.00 24.01 ? 1093 ALA   A CA   1 
ATOM   110  C  C    . ALA   A 1 29  ? -3.114  20.600 20.115 1.00 22.16 ? 1093 ALA   A C    1 
ATOM   111  O  O    . ALA   A 1 29  ? -2.197  21.318 19.703 1.00 23.40 ? 1093 ALA   A O    1 
ATOM   112  C  CB   . ALA   A 1 29  ? -4.217  21.286 22.248 1.00 24.46 ? 1093 ALA   A CB   1 
ATOM   113  N  N    . LEU   A 1 30  ? -3.094  19.267 20.080 1.00 21.39 ? 1094 LEU   A N    1 
ATOM   114  C  CA   . LEU   A 1 30  ? -1.854  18.518 19.739 1.00 20.87 ? 1094 LEU   A CA   1 
ATOM   115  C  C    . LEU   A 1 30  ? -1.775  18.220 18.236 1.00 22.29 ? 1094 LEU   A C    1 
ATOM   116  O  O    . LEU   A 1 30  ? -0.637  18.218 17.723 1.00 21.65 ? 1094 LEU   A O    1 
ATOM   117  C  CB   . LEU   A 1 30  ? -1.821  17.232 20.556 1.00 20.21 ? 1094 LEU   A CB   1 
ATOM   118  C  CG   . LEU   A 1 30  ? -1.726  17.410 22.073 1.00 20.66 ? 1094 LEU   A CG   1 
ATOM   119  C  CD1  . LEU   A 1 30  ? -1.821  16.055 22.748 1.00 20.81 ? 1094 LEU   A CD1  1 
ATOM   120  C  CD2  . LEU   A 1 30  ? -0.468  18.175 22.466 1.00 20.75 ? 1094 LEU   A CD2  1 
ATOM   121  N  N    . MET   A 1 31  ? -2.899  17.996 17.549 1.00 22.29 ? 1095 MET   A N    1 
ATOM   122  C  CA   . MET   A 1 31  ? -2.851  17.562 16.122 1.00 23.68 ? 1095 MET   A CA   1 
ATOM   123  C  C    . MET   A 1 31  ? -2.052  18.572 15.290 1.00 24.32 ? 1095 MET   A C    1 
ATOM   124  O  O    . MET   A 1 31  ? -1.333  18.163 14.384 1.00 22.77 ? 1095 MET   A O    1 
ATOM   125  C  CB   . MET   A 1 31  ? -4.247  17.333 15.532 1.00 26.67 ? 1095 MET   A CB   1 
ATOM   126  C  CG   . MET   A 1 31  ? -4.218  16.681 14.148 1.00 27.65 ? 1095 MET   A CG   1 
ATOM   127  S  SD   . MET   A 1 31  ? -3.518  15.005 14.130 1.00 28.62 ? 1095 MET   A SD   1 
ATOM   128  C  CE   . MET   A 1 31  ? -4.943  14.090 14.722 1.00 32.02 ? 1095 MET   A CE   1 
ATOM   129  N  N    . PRO   A 1 32  ? -2.156  19.906 15.472 1.00 24.27 ? 1096 PRO   A N    1 
ATOM   130  C  CA   . PRO   A 1 32  ? -1.328  20.838 14.696 1.00 24.97 ? 1096 PRO   A CA   1 
ATOM   131  C  C    . PRO   A 1 32  ? 0.189   20.591 14.805 1.00 23.43 ? 1096 PRO   A C    1 
ATOM   132  O  O    . PRO   A 1 32  ? 0.890   20.804 13.823 1.00 24.11 ? 1096 PRO   A O    1 
ATOM   133  C  CB   . PRO   A 1 32  ? -1.733  22.206 15.257 1.00 26.60 ? 1096 PRO   A CB   1 
ATOM   134  C  CG   . PRO   A 1 32  ? -3.181  22.003 15.643 1.00 25.68 ? 1096 PRO   A CG   1 
ATOM   135  C  CD   . PRO   A 1 32  ? -3.213  20.604 16.231 1.00 25.39 ? 1096 PRO   A CD   1 
ATOM   136  N  N    . THR   A 1 33  ? 0.673   20.136 15.959 1.00 21.36 ? 1097 THR   A N    1 
ATOM   137  C  CA   . THR   A 1 33  ? 2.115   19.835 16.156 1.00 22.22 ? 1097 THR   A CA   1 
ATOM   138  C  C    . THR   A 1 33  ? 2.453   18.620 15.289 1.00 22.09 ? 1097 THR   A C    1 
ATOM   139  O  O    . THR   A 1 33  ? 3.583   18.598 14.761 1.00 23.14 ? 1097 THR   A O    1 
ATOM   140  C  CB   . THR   A 1 33  ? 2.510   19.685 17.634 1.00 21.45 ? 1097 THR   A CB   1 
ATOM   141  O  OG1  . THR   A 1 33  ? 1.994   18.483 18.195 1.00 20.30 ? 1097 THR   A OG1  1 
ATOM   142  C  CG2  . THR   A 1 33  ? 2.029   20.855 18.471 1.00 23.07 ? 1097 THR   A CG2  1 
ATOM   143  N  N    . LEU   A 1 34  ? 1.542   17.654 15.156 1.00 22.24 ? 1098 LEU   A N    1 
ATOM   144  C  CA   . LEU   A 1 34  ? 1.780   16.437 14.326 1.00 22.04 ? 1098 LEU   A CA   1 
ATOM   145  C  C    . LEU   A 1 34  ? 1.730   16.850 12.846 1.00 22.49 ? 1098 LEU   A C    1 
ATOM   146  O  O    . LEU   A 1 34  ? 2.599   16.408 12.065 1.00 21.88 ? 1098 LEU   A O    1 
ATOM   147  C  CB   . LEU   A 1 34  ? 0.748   15.346 14.641 1.00 22.49 ? 1098 LEU   A CB   1 
ATOM   148  C  CG   . LEU   A 1 34  ? 1.129   13.927 14.185 1.00 22.29 ? 1098 LEU   A CG   1 
ATOM   149  C  CD1  . LEU   A 1 34  ? 2.308   13.410 15.000 1.00 23.69 ? 1098 LEU   A CD1  1 
ATOM   150  C  CD2  . LEU   A 1 34  ? -0.065  12.986 14.286 1.00 22.76 ? 1098 LEU   A CD2  1 
ATOM   151  N  N    . GLU   A 1 35  ? 0.771   17.696 12.481 1.00 22.98 ? 1099 GLU   A N    1 
ATOM   152  C  CA   . GLU   A 1 35  ? 0.638   18.255 11.104 1.00 24.05 ? 1099 GLU   A CA   1 
ATOM   153  C  C    . GLU   A 1 35  ? 1.917   18.993 10.719 1.00 21.98 ? 1099 GLU   A C    1 
ATOM   154  O  O    . GLU   A 1 35  ? 2.336   18.870 9.537  1.00 24.23 ? 1099 GLU   A O    1 
ATOM   155  C  CB   . GLU   A 1 35  ? -0.566  19.196 11.009 1.00 27.39 ? 1099 GLU   A CB   1 
ATOM   156  C  CG   . GLU   A 1 35  ? -1.887  18.456 10.959 1.00 31.61 ? 1099 GLU   A CG   1 
ATOM   157  C  CD   . GLU   A 1 35  ? -3.121  19.339 11.111 1.00 38.36 ? 1099 GLU   A CD   1 
ATOM   158  O  OE1  . GLU   A 1 35  ? -2.960  20.571 11.281 1.00 44.46 ? 1099 GLU   A OE1  1 
ATOM   159  O  OE2  . GLU   A 1 35  ? -4.248  18.785 11.067 1.00 41.75 ? 1099 GLU   A OE2  1 
ATOM   160  N  N    . ALA   A 1 36  ? 2.554   19.703 11.636 1.00 22.84 ? 1100 ALA   A N    1 
ATOM   161  C  CA   . ALA   A 1 36  ? 3.834   20.405 11.394 1.00 22.66 ? 1100 ALA   A CA   1 
ATOM   162  C  C    . ALA   A 1 36  ? 4.908   19.398 10.950 1.00 22.53 ? 1100 ALA   A C    1 
ATOM   163  O  O    . ALA   A 1 36  ? 5.753   19.745 10.081 1.00 25.02 ? 1100 ALA   A O    1 
ATOM   164  C  CB   . ALA   A 1 36  ? 4.283   21.138 12.627 1.00 24.43 ? 1100 ALA   A CB   1 
ATOM   165  N  N    . LEU   A 1 37  ? 4.916   18.200 11.526 1.00 21.57 ? 1101 LEU   A N    1 
ATOM   166  C  CA   . LEU   A 1 37  ? 5.902   17.167 11.131 1.00 21.43 ? 1101 LEU   A CA   1 
ATOM   167  C  C    . LEU   A 1 37  ? 5.534   16.652 9.733  1.00 21.58 ? 1101 LEU   A C    1 
ATOM   168  O  O    . LEU   A 1 37  ? 6.455   16.543 8.885  1.00 22.25 ? 1101 LEU   A O    1 
ATOM   169  C  CB   . LEU   A 1 37  ? 5.947   16.071 12.198 1.00 19.72 ? 1101 LEU   A CB   1 
ATOM   170  C  CG   . LEU   A 1 37  ? 6.328   16.568 13.601 1.00 19.69 ? 1101 LEU   A CG   1 
ATOM   171  C  CD1  . LEU   A 1 37  ? 6.544   15.390 14.538 1.00 20.23 ? 1101 LEU   A CD1  1 
ATOM   172  C  CD2  . LEU   A 1 37  ? 7.562   17.456 13.580 1.00 20.19 ? 1101 LEU   A CD2  1 
ATOM   173  N  N    . TYR   A 1 38  ? 4.263   16.373 9.467  1.00 21.98 ? 1102 TYR   A N    1 
ATOM   174  C  CA   . TYR   A 1 38  ? 3.823   15.781 8.176  1.00 23.86 ? 1102 TYR   A CA   1 
ATOM   175  C  C    . TYR   A 1 38  ? 4.171   16.742 7.039  1.00 25.79 ? 1102 TYR   A C    1 
ATOM   176  O  O    . TYR   A 1 38  ? 4.439   16.273 5.939  1.00 25.92 ? 1102 TYR   A O    1 
ATOM   177  C  CB   . TYR   A 1 38  ? 2.317   15.543 8.127  1.00 22.16 ? 1102 TYR   A CB   1 
ATOM   178  C  CG   . TYR   A 1 38  ? 1.828   14.208 8.619  1.00 23.50 ? 1102 TYR   A CG   1 
ATOM   179  C  CD1  . TYR   A 1 38  ? 1.838   13.097 7.795  1.00 22.11 ? 1102 TYR   A CD1  1 
ATOM   180  C  CD2  . TYR   A 1 38  ? 1.313   14.055 9.898  1.00 22.99 ? 1102 TYR   A CD2  1 
ATOM   181  C  CE1  . TYR   A 1 38  ? 1.357   11.869 8.217  1.00 23.89 ? 1102 TYR   A CE1  1 
ATOM   182  C  CE2  . TYR   A 1 38  ? 0.825   12.834 10.334 1.00 23.63 ? 1102 TYR   A CE2  1 
ATOM   183  C  CZ   . TYR   A 1 38  ? 0.841   11.735 9.499  1.00 21.02 ? 1102 TYR   A CZ   1 
ATOM   184  O  OH   . TYR   A 1 38  ? 0.353   10.527 9.934  1.00 23.12 ? 1102 TYR   A OH   1 
ATOM   185  N  N    . ARG   A 1 39  ? 4.155   18.041 7.315  1.00 25.22 ? 1103 ARG   A N    1 
ATOM   186  C  CA   . ARG   A 1 39  ? 4.426   19.107 6.316  1.00 26.86 ? 1103 ARG   A CA   1 
ATOM   187  C  C    . ARG   A 1 39  ? 5.894   19.106 5.897  1.00 26.73 ? 1103 ARG   A C    1 
ATOM   188  O  O    . ARG   A 1 39  ? 6.167   19.634 4.805  1.00 29.21 ? 1103 ARG   A O    1 
ATOM   189  C  CB   . ARG   A 1 39  ? 4.037   20.473 6.879  1.00 30.29 ? 1103 ARG   A CB   1 
ATOM   190  C  CG   . ARG   A 1 39  ? 2.545   20.760 6.819  1.00 34.29 ? 1103 ARG   A CG   1 
ATOM   191  C  CD   . ARG   A 1 39  ? 2.263   22.252 6.794  1.00 37.06 ? 1103 ARG   A CD   1 
ATOM   192  N  NE   . ARG   A 1 39  ? 2.798   22.946 7.959  1.00 38.68 ? 1103 ARG   A NE   1 
ATOM   193  C  CZ   . ARG   A 1 39  ? 2.180   23.053 9.136  1.00 38.77 ? 1103 ARG   A CZ   1 
ATOM   194  N  NH1  . ARG   A 1 39  ? 0.990   22.505 9.323  1.00 39.57 ? 1103 ARG   A NH1  1 
ATOM   195  N  NH2  . ARG   A 1 39  ? 2.764   23.708 10.124 1.00 39.88 ? 1103 ARG   A NH2  1 
ATOM   196  N  N    . GLN   A 1 40  ? 6.806   18.587 6.722  1.00 25.56 ? 1104 GLN   A N    1 
ATOM   197  C  CA   . GLN   A 1 40  ? 8.256   18.526 6.384  1.00 25.23 ? 1104 GLN   A CA   1 
ATOM   198  C  C    . GLN   A 1 40  ? 8.437   17.502 5.258  1.00 27.20 ? 1104 GLN   A C    1 
ATOM   199  O  O    . GLN   A 1 40  ? 8.193   16.295 5.469  1.00 23.80 ? 1104 GLN   A O    1 
ATOM   200  C  CB   . GLN   A 1 40  ? 9.117   18.188 7.601  1.00 25.72 ? 1104 GLN   A CB   1 
ATOM   201  C  CG   . GLN   A 1 40  ? 8.911   19.130 8.774  1.00 27.27 ? 1104 GLN   A CG   1 
ATOM   202  C  CD   . GLN   A 1 40  ? 9.021   20.584 8.391  1.00 32.51 ? 1104 GLN   A CD   1 
ATOM   203  O  OE1  . GLN   A 1 40  ? 10.031  21.029 7.843  1.00 32.09 ? 1104 GLN   A OE1  1 
ATOM   204  N  NE2  . GLN   A 1 40  ? 7.977   21.336 8.713  1.00 33.16 ? 1104 GLN   A NE2  1 
ATOM   205  N  N    . ASP   A 1 41  ? 8.773   17.998 4.072  1.00 29.27 ? 1105 ASP   A N    1 
ATOM   206  C  CA   . ASP   A 1 41  ? 8.988   17.174 2.862  1.00 31.33 ? 1105 ASP   A CA   1 
ATOM   207  C  C    . ASP   A 1 41  ? 10.370  17.522 2.336  1.00 29.58 ? 1105 ASP   A C    1 
ATOM   208  O  O    . ASP   A 1 41  ? 10.608  18.681 2.012  1.00 32.81 ? 1105 ASP   A O    1 
ATOM   209  C  CB   . ASP   A 1 41  ? 7.903   17.461 1.827  1.00 33.38 ? 1105 ASP   A CB   1 
ATOM   210  C  CG   . ASP   A 1 41  ? 7.883   16.473 0.677  1.00 36.26 ? 1105 ASP   A CG   1 
ATOM   211  O  OD1  . ASP   A 1 41  ? 8.959   15.967 0.316  1.00 39.63 ? 1105 ASP   A OD1  1 
ATOM   212  O  OD2  . ASP   A 1 41  ? 6.787   16.216 0.156  1.00 41.09 ? 1105 ASP   A OD2  1 
ATOM   213  N  N    . PRO   A 1 42  ? 11.331  16.579 2.228  1.00 27.44 ? 1106 PRO   A N    1 
ATOM   214  C  CA   . PRO   A 1 42  ? 11.101  15.136 2.347  1.00 25.94 ? 1106 PRO   A CA   1 
ATOM   215  C  C    . PRO   A 1 42  ? 11.277  14.516 3.747  1.00 23.27 ? 1106 PRO   A C    1 
ATOM   216  O  O    . PRO   A 1 42  ? 11.143  13.304 3.871  1.00 22.87 ? 1106 PRO   A O    1 
ATOM   217  C  CB   . PRO   A 1 42  ? 12.210  14.619 1.414  1.00 27.40 ? 1106 PRO   A CB   1 
ATOM   218  C  CG   . PRO   A 1 42  ? 13.373  15.538 1.684  1.00 27.33 ? 1106 PRO   A CG   1 
ATOM   219  C  CD   . PRO   A 1 42  ? 12.735  16.894 1.907  1.00 28.78 ? 1106 PRO   A CD   1 
ATOM   220  N  N    . GLU   A 1 43  ? 11.563  15.331 4.770  1.00 23.03 ? 1107 GLU   A N    1 
ATOM   221  C  CA   . GLU   A 1 43  ? 12.085  14.781 6.058  1.00 21.50 ? 1107 GLU   A CA   1 
ATOM   222  C  C    . GLU   A 1 43  ? 11.039  13.905 6.755  1.00 20.10 ? 1107 GLU   A C    1 
ATOM   223  O  O    . GLU   A 1 43  ? 11.464  12.930 7.427  1.00 18.60 ? 1107 GLU   A O    1 
ATOM   224  C  CB   . GLU   A 1 43  ? 12.633  15.861 6.982  1.00 22.98 ? 1107 GLU   A CB   1 
ATOM   225  C  CG   . GLU   A 1 43  ? 13.863  16.551 6.417  1.00 24.08 ? 1107 GLU   A CG   1 
ATOM   226  C  CD   . GLU   A 1 43  ? 13.583  17.759 5.542  1.00 26.75 ? 1107 GLU   A CD   1 
ATOM   227  O  OE1  . GLU   A 1 43  ? 12.401  18.033 5.219  1.00 26.36 ? 1107 GLU   A OE1  1 
ATOM   228  O  OE2  . GLU   A 1 43  ? 14.566  18.418 5.182  1.00 31.97 ? 1107 GLU   A OE2  1 
ATOM   229  N  N    . SER   A 1 44  ? 9.741   14.141 6.569  1.00 19.70 ? 1108 SER   A N    1 
ATOM   230  C  CA   . SER   A 1 44  ? 8.722   13.281 7.223  1.00 19.35 ? 1108 SER   A CA   1 
ATOM   231  C  C    . SER   A 1 44  ? 8.499   11.962 6.464  1.00 17.70 ? 1108 SER   A C    1 
ATOM   232  O  O    . SER   A 1 44  ? 7.872   11.053 7.007  1.00 18.63 ? 1108 SER   A O    1 
ATOM   233  C  CB   . SER   A 1 44  ? 7.441   14.018 7.418  1.00 21.33 ? 1108 SER   A CB   1 
ATOM   234  O  OG   . SER   A 1 44  ? 6.711   14.079 6.210  1.00 21.71 ? 1108 SER   A OG   1 
ATOM   235  N  N    . LEU   A 1 45  ? 8.982   11.843 5.223  1.00 19.57 ? 1109 LEU   A N    1 
ATOM   236  C  CA   . LEU   A 1 45  ? 8.577   10.716 4.356  1.00 19.65 ? 1109 LEU   A CA   1 
ATOM   237  C  C    . LEU   A 1 45  ? 8.883   9.372  5.002  1.00 18.15 ? 1109 LEU   A C    1 
ATOM   238  O  O    . LEU   A 1 45  ? 8.039   8.495  5.000  1.00 19.85 ? 1109 LEU   A O    1 
ATOM   239  C  CB   . LEU   A 1 45  ? 9.217   10.840 2.967  1.00 20.83 ? 1109 LEU   A CB   1 
ATOM   240  C  CG   . LEU   A 1 45  ? 8.637   11.921 2.066  1.00 22.96 ? 1109 LEU   A CG   1 
ATOM   241  C  CD1  . LEU   A 1 45  ? 9.417   12.002 0.754  1.00 24.10 ? 1109 LEU   A CD1  1 
ATOM   242  C  CD2  . LEU   A 1 45  ? 7.174   11.675 1.804  1.00 23.71 ? 1109 LEU   A CD2  1 
ATOM   243  N  N    . PRO   A 1 46  ? 10.069  9.126  5.609  1.00 18.86 ? 1110 PRO   A N    1 
ATOM   244  C  CA   . PRO   A 1 46  ? 10.308  7.846  6.267  1.00 16.86 ? 1110 PRO   A CA   1 
ATOM   245  C  C    . PRO   A 1 46  ? 9.415   7.542  7.482  1.00 16.32 ? 1110 PRO   A C    1 
ATOM   246  O  O    . PRO   A 1 46  ? 9.438   6.419  7.937  1.00 17.68 ? 1110 PRO   A O    1 
ATOM   247  C  CB   . PRO   A 1 46  ? 11.776  7.892  6.741  1.00 18.26 ? 1110 PRO   A CB   1 
ATOM   248  C  CG   . PRO   A 1 46  ? 12.366  9.094  6.087  1.00 20.72 ? 1110 PRO   A CG   1 
ATOM   249  C  CD   . PRO   A 1 46  ? 11.241  9.999  5.635  1.00 19.41 ? 1110 PRO   A CD   1 
ATOM   250  N  N    . PHE   A 1 47  ? 8.770   8.580  8.026  1.00 17.82 ? 1111 PHE   A N    1 
ATOM   251  C  CA   . PHE   A 1 47  ? 8.079   8.549  9.339  1.00 17.70 ? 1111 PHE   A CA   1 
ATOM   252  C  C    . PHE   A 1 47  ? 6.567   8.427  9.162  1.00 19.38 ? 1111 PHE   A C    1 
ATOM   253  O  O    . PHE   A 1 47  ? 5.860   8.277  10.174 1.00 18.87 ? 1111 PHE   A O    1 
ATOM   254  C  CB   . PHE   A 1 47  ? 8.425   9.801  10.142 1.00 17.04 ? 1111 PHE   A CB   1 
ATOM   255  C  CG   . PHE   A 1 47  ? 9.875   9.854  10.520 1.00 17.32 ? 1111 PHE   A CG   1 
ATOM   256  C  CD1  . PHE   A 1 47  ? 10.306  9.183  11.650 1.00 18.57 ? 1111 PHE   A CD1  1 
ATOM   257  C  CD2  . PHE   A 1 47  ? 10.793  10.538 9.734  1.00 17.35 ? 1111 PHE   A CD2  1 
ATOM   258  C  CE1  . PHE   A 1 47  ? 11.641  9.217  12.014 1.00 20.14 ? 1111 PHE   A CE1  1 
ATOM   259  C  CE2  . PHE   A 1 47  ? 12.132  10.551 10.090 1.00 19.77 ? 1111 PHE   A CE2  1 
ATOM   260  C  CZ   . PHE   A 1 47  ? 12.545  9.881  11.224 1.00 21.34 ? 1111 PHE   A CZ   1 
ATOM   261  N  N    . ARG   A 1 48  ? 6.060   8.445  7.930  1.00 18.00 ? 1112 ARG   A N    1 
ATOM   262  C  CA   . ARG   A 1 48  ? 4.591   8.571  7.717  1.00 19.40 ? 1112 ARG   A CA   1 
ATOM   263  C  C    . ARG   A 1 48  ? 3.874   7.242  7.948  1.00 20.29 ? 1112 ARG   A C    1 
ATOM   264  O  O    . ARG   A 1 48  ? 2.670   7.287  8.281  1.00 22.17 ? 1112 ARG   A O    1 
ATOM   265  C  CB   . ARG   A 1 48  ? 4.288   9.113  6.323  1.00 19.09 ? 1112 ARG   A CB   1 
ATOM   266  C  CG   . ARG   A 1 48  ? 4.685   10.564 6.155  1.00 20.56 ? 1112 ARG   A CG   1 
ATOM   267  C  CD   . ARG   A 1 48  ? 4.340   11.102 4.784  1.00 22.23 ? 1112 ARG   A CD   1 
ATOM   268  N  NE   . ARG   A 1 48  ? 4.614   12.514 4.695  1.00 22.70 ? 1112 ARG   A NE   1 
ATOM   269  C  CZ   . ARG   A 1 48  ? 4.317   13.312 3.666  1.00 26.11 ? 1112 ARG   A CZ   1 
ATOM   270  N  NH1  . ARG   A 1 48  ? 3.761   12.815 2.573  1.00 28.58 ? 1112 ARG   A NH1  1 
ATOM   271  N  NH2  . ARG   A 1 48  ? 4.628   14.594 3.719  1.00 27.30 ? 1112 ARG   A NH2  1 
ATOM   272  N  N    . GLN   A 1 49  ? 4.512   6.106  7.725  1.00 17.65 ? 1113 GLN   A N    1 
ATOM   273  C  CA   . GLN   A 1 49  ? 3.926   4.776  7.925  1.00 18.94 ? 1113 GLN   A CA   1 
ATOM   274  C  C    . GLN   A 1 49  ? 4.864   3.922  8.764  1.00 19.10 ? 1113 GLN   A C    1 
ATOM   275  O  O    . GLN   A 1 49  ? 6.090   4.173  8.834  1.00 18.17 ? 1113 GLN   A O    1 
ATOM   276  C  CB   . GLN   A 1 49  ? 3.639   4.131  6.560  1.00 21.15 ? 1113 GLN   A CB   1 
ATOM   277  C  CG   . GLN   A 1 49  ? 2.598   4.867  5.731  1.00 22.38 ? 1113 GLN   A CG   1 
ATOM   278  C  CD   . GLN   A 1 49  ? 1.195   4.693  6.271  1.00 23.60 ? 1113 GLN   A CD   1 
ATOM   279  O  OE1  . GLN   A 1 49  ? 0.386   5.610  6.245  1.00 33.69 ? 1113 GLN   A OE1  1 
ATOM   280  N  NE2  . GLN   A 1 49  ? 0.925   3.517  6.801  1.00 26.54 ? 1113 GLN   A NE2  1 
ATOM   281  N  N    . PRO   A 1 50  ? 4.366   2.862  9.416  1.00 18.09 ? 1114 PRO   A N    1 
ATOM   282  C  CA   . PRO   A 1 50  ? 5.218   1.953  10.169 1.00 19.07 ? 1114 PRO   A CA   1 
ATOM   283  C  C    . PRO   A 1 50  ? 6.343   1.406  9.288  1.00 18.87 ? 1114 PRO   A C    1 
ATOM   284  O  O    . PRO   A 1 50  ? 6.154   1.124  8.124  1.00 19.54 ? 1114 PRO   A O    1 
ATOM   285  C  CB   . PRO   A 1 50  ? 4.312   0.822  10.641 1.00 20.25 ? 1114 PRO   A CB   1 
ATOM   286  C  CG   . PRO   A 1 50  ? 2.928   1.430  10.578 1.00 20.45 ? 1114 PRO   A CG   1 
ATOM   287  C  CD   . PRO   A 1 50  ? 2.942   2.460  9.470  1.00 19.26 ? 1114 PRO   A CD   1 
ATOM   288  N  N    . VAL   A 1 51  ? 7.534   1.414  9.828  1.00 18.67 ? 1115 VAL   A N    1 
ATOM   289  C  CA   . VAL   A 1 51  ? 8.667   0.680  9.217  1.00 19.12 ? 1115 VAL   A CA   1 
ATOM   290  C  C    . VAL   A 1 51  ? 8.220   -0.736 8.884  1.00 19.43 ? 1115 VAL   A C    1 
ATOM   291  O  O    . VAL   A 1 51  ? 7.764   -1.466 9.767  1.00 20.90 ? 1115 VAL   A O    1 
ATOM   292  C  CB   . VAL   A 1 51  ? 9.873   0.671  10.159 1.00 19.92 ? 1115 VAL   A CB   1 
ATOM   293  C  CG1  . VAL   A 1 51  ? 10.969  -0.250 9.621  1.00 19.63 ? 1115 VAL   A CG1  1 
ATOM   294  C  CG2  . VAL   A 1 51  ? 10.351  2.107  10.344 1.00 21.94 ? 1115 VAL   A CG2  1 
ATOM   295  N  N    . ASP   A 1 52  ? 8.426   -1.139 7.625  1.00 20.07 ? 1116 ASP   A N    1 
ATOM   296  C  CA   . ASP   A 1 52  ? 8.150   -2.509 7.133  1.00 20.63 ? 1116 ASP   A CA   1 
ATOM   297  C  C    . ASP   A 1 52  ? 9.505   -3.117 6.813  1.00 18.98 ? 1116 ASP   A C    1 
ATOM   298  O  O    . ASP   A 1 52  ? 10.052  -2.825 5.747  1.00 18.26 ? 1116 ASP   A O    1 
ATOM   299  C  CB   . ASP   A 1 52  ? 7.243   -2.433 5.910  1.00 20.34 ? 1116 ASP   A CB   1 
ATOM   300  C  CG   . ASP   A 1 52  ? 6.955   -3.788 5.299  1.00 19.75 ? 1116 ASP   A CG   1 
ATOM   301  O  OD1  . ASP   A 1 52  ? 7.648   -4.768 5.618  1.00 20.15 ? 1116 ASP   A OD1  1 
ATOM   302  O  OD2  . ASP   A 1 52  ? 5.973   -3.842 4.525  1.00 23.75 ? 1116 ASP   A OD2  1 
ATOM   303  N  N    . PRO   A 1 53  ? 10.131  -3.854 7.741  1.00 18.41 ? 1117 PRO   A N    1 
ATOM   304  C  CA   . PRO   A 1 53  ? 11.505  -4.308 7.550  1.00 18.84 ? 1117 PRO   A CA   1 
ATOM   305  C  C    . PRO   A 1 53  ? 11.673  -5.181 6.300  1.00 19.80 ? 1117 PRO   A C    1 
ATOM   306  O  O    . PRO   A 1 53  ? 12.739  -5.114 5.729  1.00 21.93 ? 1117 PRO   A O    1 
ATOM   307  C  CB   . PRO   A 1 53  ? 11.845  -5.062 8.835  1.00 19.83 ? 1117 PRO   A CB   1 
ATOM   308  C  CG   . PRO   A 1 53  ? 10.951  -4.396 9.855  1.00 19.22 ? 1117 PRO   A CG   1 
ATOM   309  C  CD   . PRO   A 1 53  ? 9.660   -4.114 9.111  1.00 18.35 ? 1117 PRO   A CD   1 
ATOM   310  N  N    . GLN   A 1 54  ? 10.628  -5.917 5.929  1.00 22.22 ? 1118 GLN   A N    1 
ATOM   311  C  CA   . GLN   A 1 54  ? 10.665  -6.835 4.759  1.00 25.67 ? 1118 GLN   A CA   1 
ATOM   312  C  C    . GLN   A 1 54  ? 10.742  -5.992 3.484  1.00 21.32 ? 1118 GLN   A C    1 
ATOM   313  O  O    . GLN   A 1 54  ? 11.640  -6.194 2.653  1.00 23.44 ? 1118 GLN   A O    1 
ATOM   314  C  CB   . GLN   A 1 54  ? 9.419   -7.724 4.735  1.00 28.90 ? 1118 GLN   A CB   1 
ATOM   315  C  CG   . GLN   A 1 54  ? 9.357   -8.753 5.857  1.00 33.40 ? 1118 GLN   A CG   1 
ATOM   316  C  CD   . GLN   A 1 54  ? 7.982   -9.368 5.971  1.00 39.70 ? 1118 GLN   A CD   1 
ATOM   317  O  OE1  . GLN   A 1 54  ? 7.256   -9.522 4.984  1.00 44.13 ? 1118 GLN   A OE1  1 
ATOM   318  N  NE2  . GLN   A 1 54  ? 7.612   -9.731 7.187  1.00 42.90 ? 1118 GLN   A NE2  1 
ATOM   319  N  N    . LEU   A 1 55  ? 9.797   -5.092 3.311  1.00 19.38 ? 1119 LEU   A N    1 
ATOM   320  C  CA   . LEU   A 1 55  ? 9.746   -4.174 2.152  1.00 19.58 ? 1119 LEU   A CA   1 
ATOM   321  C  C    . LEU   A 1 55  ? 11.049  -3.395 2.018  1.00 20.59 ? 1119 LEU   A C    1 
ATOM   322  O  O    . LEU   A 1 55  ? 11.522  -3.155 0.870  1.00 19.68 ? 1119 LEU   A O    1 
ATOM   323  C  CB   . LEU   A 1 55  ? 8.557   -3.230 2.319  1.00 20.69 ? 1119 LEU   A CB   1 
ATOM   324  C  CG   . LEU   A 1 55  ? 8.413   -2.123 1.278  1.00 22.45 ? 1119 LEU   A CG   1 
ATOM   325  C  CD1  . LEU   A 1 55  ? 8.004   -2.664 -0.072 1.00 22.09 ? 1119 LEU   A CD1  1 
ATOM   326  C  CD2  . LEU   A 1 55  ? 7.395   -1.096 1.737  1.00 24.34 ? 1119 LEU   A CD2  1 
ATOM   327  N  N    . LEU   A 1 56  ? 11.594  -2.911 3.133  1.00 17.69 ? 1120 LEU   A N    1 
ATOM   328  C  CA   . LEU   A 1 56  ? 12.741  -1.974 3.073  1.00 19.25 ? 1120 LEU   A CA   1 
ATOM   329  C  C    . LEU   A 1 56  ? 14.058  -2.745 3.092  1.00 20.29 ? 1120 LEU   A C    1 
ATOM   330  O  O    . LEU   A 1 56  ? 15.091  -2.059 2.979  1.00 23.00 ? 1120 LEU   A O    1 
ATOM   331  C  CB   . LEU   A 1 56  ? 12.632  -1.011 4.256  1.00 19.74 ? 1120 LEU   A CB   1 
ATOM   332  C  CG   . LEU   A 1 56  ? 11.370  -0.169 4.313  1.00 21.93 ? 1120 LEU   A CG   1 
ATOM   333  C  CD1  . LEU   A 1 56  ? 11.383  0.663  5.599  1.00 21.59 ? 1120 LEU   A CD1  1 
ATOM   334  C  CD2  . LEU   A 1 56  ? 11.204  0.710  3.079  1.00 23.46 ? 1120 LEU   A CD2  1 
ATOM   335  N  N    . GLY   A 1 57  ? 14.022  -4.076 3.216  1.00 21.36 ? 1121 GLY   A N    1 
ATOM   336  C  CA   . GLY   A 1 57  ? 15.220  -4.936 3.264  1.00 24.19 ? 1121 GLY   A CA   1 
ATOM   337  C  C    . GLY   A 1 57  ? 16.117  -4.577 4.437  1.00 24.12 ? 1121 GLY   A C    1 
ATOM   338  O  O    . GLY   A 1 57  ? 17.356  -4.542 4.257  1.00 25.85 ? 1121 GLY   A O    1 
ATOM   339  N  N    . ILE   A 1 58  ? 15.523  -4.330 5.605  1.00 22.12 ? 1122 ILE   A N    1 
ATOM   340  C  CA   . ILE   A 1 58  ? 16.284  -4.062 6.867  1.00 21.37 ? 1122 ILE   A CA   1 
ATOM   341  C  C    . ILE   A 1 58  ? 15.867  -5.095 7.916  1.00 21.33 ? 1122 ILE   A C    1 
ATOM   342  O  O    . ILE   A 1 58  ? 15.213  -4.767 8.905  1.00 20.39 ? 1122 ILE   A O    1 
ATOM   343  C  CB   . ILE   A 1 58  ? 16.129  -2.584 7.281  1.00 22.13 ? 1122 ILE   A CB   1 
ATOM   344  C  CG1  . ILE   A 1 58  ? 14.668  -2.138 7.422  1.00 21.35 ? 1122 ILE   A CG1  1 
ATOM   345  C  CG2  . ILE   A 1 58  ? 16.885  -1.682 6.319  1.00 23.50 ? 1122 ILE   A CG2  1 
ATOM   346  C  CD1  . ILE   A 1 58  ? 14.484  -0.720 7.913  1.00 22.07 ? 1122 ILE   A CD1  1 
ATOM   347  N  N    . PRO   A 1 59  ? 16.160  -6.404 7.719  1.00 21.50 ? 1123 PRO   A N    1 
ATOM   348  C  CA   . PRO   A 1 59  ? 15.653  -7.473 8.573  1.00 24.15 ? 1123 PRO   A CA   1 
ATOM   349  C  C    . PRO   A 1 59  ? 16.067  -7.408 10.048 1.00 21.60 ? 1123 PRO   A C    1 
ATOM   350  O  O    . PRO   A 1 59  ? 15.444  -8.060 10.873 1.00 24.11 ? 1123 PRO   A O    1 
ATOM   351  C  CB   . PRO   A 1 59  ? 16.176  -8.791 7.962  1.00 27.85 ? 1123 PRO   A CB   1 
ATOM   352  C  CG   . PRO   A 1 59  ? 17.080  -8.393 6.828  1.00 26.54 ? 1123 PRO   A CG   1 
ATOM   353  C  CD   . PRO   A 1 59  ? 16.931  -6.914 6.572  1.00 24.91 ? 1123 PRO   A CD   1 
ATOM   354  N  N    . ASP   A 1 60  ? 17.092  -6.609 10.387 1.00 20.10 ? 1124 ASP   A N    1 
ATOM   355  C  CA   . ASP   A 1 60  ? 17.527  -6.460 11.798 1.00 18.47 ? 1124 ASP   A CA   1 
ATOM   356  C  C    . ASP   A 1 60  ? 16.695  -5.390 12.530 1.00 18.89 ? 1124 ASP   A C    1 
ATOM   357  O  O    . ASP   A 1 60  ? 16.927  -5.204 13.724 1.00 19.97 ? 1124 ASP   A O    1 
ATOM   358  C  CB   . ASP   A 1 60  ? 19.016  -6.157 11.909 1.00 19.08 ? 1124 ASP   A CB   1 
ATOM   359  C  CG   . ASP   A 1 60  ? 19.428  -4.824 11.319 1.00 17.92 ? 1124 ASP   A CG   1 
ATOM   360  O  OD1  . ASP   A 1 60  ? 18.752  -4.384 10.380 1.00 19.61 ? 1124 ASP   A OD1  1 
ATOM   361  O  OD2  . ASP   A 1 60  ? 20.458  -4.260 11.793 1.00 19.76 ? 1124 ASP   A OD2  1 
ATOM   362  N  N    . TYR   A 1 61  ? 15.764  -4.725 11.867 1.00 17.24 ? 1125 TYR   A N    1 
ATOM   363  C  CA   . TYR   A 1 61  ? 15.056  -3.563 12.472 1.00 17.33 ? 1125 TYR   A CA   1 
ATOM   364  C  C    . TYR   A 1 61  ? 14.438  -3.961 13.810 1.00 18.48 ? 1125 TYR   A C    1 
ATOM   365  O  O    . TYR   A 1 61  ? 14.708  -3.290 14.824 1.00 17.25 ? 1125 TYR   A O    1 
ATOM   366  C  CB   . TYR   A 1 61  ? 13.997  -2.996 11.544 1.00 16.38 ? 1125 TYR   A CB   1 
ATOM   367  C  CG   . TYR   A 1 61  ? 13.387  -1.733 12.089 1.00 15.87 ? 1125 TYR   A CG   1 
ATOM   368  C  CD1  . TYR   A 1 61  ? 14.087  -0.548 11.995 1.00 15.84 ? 1125 TYR   A CD1  1 
ATOM   369  C  CD2  . TYR   A 1 61  ? 12.159  -1.732 12.719 1.00 15.94 ? 1125 TYR   A CD2  1 
ATOM   370  C  CE1  . TYR   A 1 61  ? 13.579  0.627  12.514 1.00 15.94 ? 1125 TYR   A CE1  1 
ATOM   371  C  CE2  . TYR   A 1 61  ? 11.628  -0.558 13.224 1.00 16.80 ? 1125 TYR   A CE2  1 
ATOM   372  C  CZ   . TYR   A 1 61  ? 12.335  0.624  13.122 1.00 16.94 ? 1125 TYR   A CZ   1 
ATOM   373  O  OH   . TYR   A 1 61  ? 11.813  1.778  13.647 1.00 19.05 ? 1125 TYR   A OH   1 
ATOM   374  N  N    . PHE   A 1 62  ? 13.673  -5.050 13.888 1.00 18.51 ? 1126 PHE   A N    1 
ATOM   375  C  CA   . PHE   A 1 62  ? 12.962  -5.430 15.145 1.00 18.57 ? 1126 PHE   A CA   1 
ATOM   376  C  C    . PHE   A 1 62  ? 13.874  -6.110 16.167 1.00 20.90 ? 1126 PHE   A C    1 
ATOM   377  O  O    . PHE   A 1 62  ? 13.420  -6.298 17.308 1.00 22.43 ? 1126 PHE   A O    1 
ATOM   378  C  CB   . PHE   A 1 62  ? 11.758  -6.332 14.881 1.00 19.73 ? 1126 PHE   A CB   1 
ATOM   379  C  CG   . PHE   A 1 62  ? 10.627  -5.690 14.135 1.00 20.29 ? 1126 PHE   A CG   1 
ATOM   380  C  CD1  . PHE   A 1 62  ? 10.277  -4.369 14.340 1.00 18.84 ? 1126 PHE   A CD1  1 
ATOM   381  C  CD2  . PHE   A 1 62  ? 9.877   -6.424 13.223 1.00 22.67 ? 1126 PHE   A CD2  1 
ATOM   382  C  CE1  . PHE   A 1 62  ? 9.213   -3.785 13.668 1.00 20.17 ? 1126 PHE   A CE1  1 
ATOM   383  C  CE2  . PHE   A 1 62  ? 8.820   -5.833 12.546 1.00 22.32 ? 1126 PHE   A CE2  1 
ATOM   384  C  CZ   . PHE   A 1 62  ? 8.504   -4.520 12.741 1.00 21.08 ? 1126 PHE   A CZ   1 
ATOM   385  N  N    . ASP   A 1 63  ? 15.104  -6.434 15.813 1.00 20.19 ? 1127 ASP   A N    1 
ATOM   386  C  CA   . ASP   A 1 63  ? 16.134  -6.850 16.793 1.00 23.96 ? 1127 ASP   A CA   1 
ATOM   387  C  C    . ASP   A 1 63  ? 16.511  -5.632 17.641 1.00 21.22 ? 1127 ASP   A C    1 
ATOM   388  O  O    . ASP   A 1 63  ? 16.851  -5.795 18.834 1.00 22.71 ? 1127 ASP   A O    1 
ATOM   389  C  CB   . ASP   A 1 63  ? 17.392  -7.353 16.086 1.00 25.78 ? 1127 ASP   A CB   1 
ATOM   390  C  CG   . ASP   A 1 63  ? 17.293  -8.737 15.470 1.00 32.79 ? 1127 ASP   A CG   1 
ATOM   391  O  OD1  . ASP   A 1 63  ? 16.186  -9.308 15.468 1.00 38.55 ? 1127 ASP   A OD1  1 
ATOM   392  O  OD2  . ASP   A 1 63  ? 18.341  -9.232 14.993 1.00 38.58 ? 1127 ASP   A OD2  1 
ATOM   393  N  N    . ILE   A 1 64  ? 16.511  -4.456 17.017 1.00 19.08 ? 1128 ILE   A N    1 
ATOM   394  C  CA   . ILE   A 1 64  ? 17.049  -3.203 17.621 1.00 18.72 ? 1128 ILE   A CA   1 
ATOM   395  C  C    . ILE   A 1 64  ? 15.907  -2.373 18.196 1.00 18.82 ? 1128 ILE   A C    1 
ATOM   396  O  O    . ILE   A 1 64  ? 16.043  -1.838 19.312 1.00 19.29 ? 1128 ILE   A O    1 
ATOM   397  C  CB   . ILE   A 1 64  ? 17.864  -2.438 16.568 1.00 19.01 ? 1128 ILE   A CB   1 
ATOM   398  C  CG1  . ILE   A 1 64  ? 19.092  -3.265 16.154 1.00 20.60 ? 1128 ILE   A CG1  1 
ATOM   399  C  CG2  . ILE   A 1 64  ? 18.257  -1.046 17.059 1.00 18.91 ? 1128 ILE   A CG2  1 
ATOM   400  C  CD1  . ILE   A 1 64  ? 19.781  -2.780 14.922 1.00 23.48 ? 1128 ILE   A CD1  1 
ATOM   401  N  N    . VAL   A 1 65  ? 14.820  -2.260 17.451 1.00 17.49 ? 1129 VAL   A N    1 
ATOM   402  C  CA   . VAL   A 1 65  ? 13.666  -1.394 17.793 1.00 17.36 ? 1129 VAL   A CA   1 
ATOM   403  C  C    . VAL   A 1 65  ? 12.563  -2.302 18.343 1.00 18.37 ? 1129 VAL   A C    1 
ATOM   404  O  O    . VAL   A 1 65  ? 11.897  -2.988 17.543 1.00 18.95 ? 1129 VAL   A O    1 
ATOM   405  C  CB   . VAL   A 1 65  ? 13.223  -0.527 16.596 1.00 16.27 ? 1129 VAL   A CB   1 
ATOM   406  C  CG1  . VAL   A 1 65  ? 11.986  0.291  16.896 1.00 15.70 ? 1129 VAL   A CG1  1 
ATOM   407  C  CG2  . VAL   A 1 65  ? 14.356  0.385  16.121 1.00 16.45 ? 1129 VAL   A CG2  1 
ATOM   408  N  N    . LYS   A 1 66  ? 12.388  -2.305 19.667 1.00 19.73 ? 1130 LYS   A N    1 
ATOM   409  C  CA   . LYS   A 1 66  ? 11.399  -3.190 20.331 1.00 21.56 ? 1130 LYS   A CA   1 
ATOM   410  C  C    . LYS   A 1 66  ? 10.069  -2.459 20.474 1.00 20.88 ? 1130 LYS   A C    1 
ATOM   411  O  O    . LYS   A 1 66  ? 9.093   -3.172 20.696 1.00 24.23 ? 1130 LYS   A O    1 
ATOM   412  C  CB   . LYS   A 1 66  ? 11.953  -3.716 21.662 1.00 23.34 ? 1130 LYS   A CB   1 
ATOM   413  C  CG   . LYS   A 1 66  ? 13.147  -4.647 21.525 1.00 27.24 ? 1130 LYS   A CG   1 
ATOM   414  C  CD   . LYS   A 1 66  ? 12.859  -5.842 20.623 1.00 28.27 ? 1130 LYS   A CD   1 
ATOM   415  C  CE   . LYS   A 1 66  ? 13.972  -6.862 20.635 1.00 30.23 ? 1130 LYS   A CE   1 
ATOM   416  N  NZ   . LYS   A 1 66  ? 13.725  -7.918 19.631 1.00 31.30 ? 1130 LYS   A NZ   1 
ATOM   417  N  N    . ASN   A 1 67  ? 9.999   -1.113 20.350 1.00 17.85 ? 1131 ASN   A N    1 
ATOM   418  C  CA   . ASN   A 1 67  ? 8.712   -0.375 20.440 1.00 16.71 ? 1131 ASN   A CA   1 
ATOM   419  C  C    . ASN   A 1 67  ? 8.581   0.585  19.273 1.00 15.79 ? 1131 ASN   A C    1 
ATOM   420  O  O    . ASN   A 1 67  ? 8.762   1.788  19.383 1.00 15.67 ? 1131 ASN   A O    1 
ATOM   421  C  CB   . ASN   A 1 67  ? 8.532   0.365  21.768 1.00 17.68 ? 1131 ASN   A CB   1 
ATOM   422  C  CG   . ASN   A 1 67  ? 8.468   -0.597 22.924 1.00 21.36 ? 1131 ASN   A CG   1 
ATOM   423  O  OD1  . ASN   A 1 67  ? 7.460   -1.287 23.086 1.00 23.91 ? 1131 ASN   A OD1  1 
ATOM   424  N  ND2  . ASN   A 1 67  ? 9.532   -0.652 23.695 1.00 24.25 ? 1131 ASN   A ND2  1 
ATOM   425  N  N    . PRO   A 1 68  ? 8.268   0.066  18.072 1.00 16.59 ? 1132 PRO   A N    1 
ATOM   426  C  CA   . PRO   A 1 68  ? 8.157   0.908  16.899 1.00 16.38 ? 1132 PRO   A CA   1 
ATOM   427  C  C    . PRO   A 1 68  ? 7.084   1.977  17.043 1.00 15.79 ? 1132 PRO   A C    1 
ATOM   428  O  O    . PRO   A 1 68  ? 6.078   1.773  17.758 1.00 17.13 ? 1132 PRO   A O    1 
ATOM   429  C  CB   . PRO   A 1 68  ? 7.827   -0.077 15.759 1.00 17.69 ? 1132 PRO   A CB   1 
ATOM   430  C  CG   . PRO   A 1 68  ? 8.279   -1.418 16.297 1.00 21.23 ? 1132 PRO   A CG   1 
ATOM   431  C  CD   . PRO   A 1 68  ? 8.064   -1.359 17.788 1.00 18.47 ? 1132 PRO   A CD   1 
ATOM   432  N  N    . MET   A 1 69  ? 7.273   3.096  16.378 1.00 15.70 ? 1133 MET   A N    1 
ATOM   433  C  CA   . MET   A 1 69  ? 6.315   4.195  16.400 1.00 14.86 ? 1133 MET   A CA   1 
ATOM   434  C  C    . MET   A 1 69  ? 6.478   5.036  15.149 1.00 15.58 ? 1133 MET   A C    1 
ATOM   435  O  O    . MET   A 1 69  ? 7.596   5.183  14.625 1.00 16.23 ? 1133 MET   A O    1 
ATOM   436  C  CB   . MET   A 1 69  ? 6.513   5.023  17.684 1.00 15.89 ? 1133 MET   A CB   1 
ATOM   437  C  CG   . MET   A 1 69  ? 5.467   6.059  17.877 1.00 15.81 ? 1133 MET   A CG   1 
ATOM   438  S  SD   . MET   A 1 69  ? 3.723   5.506  17.893 1.00 18.02 ? 1133 MET   A SD   1 
ATOM   439  C  CE   . MET   A 1 69  ? 3.757   4.209  19.120 1.00 19.94 ? 1133 MET   A CE   1 
ATOM   440  N  N    . ASP   A 1 70  ? 5.384   5.548  14.638 1.00 15.77 ? 1134 ASP   A N    1 
ATOM   441  C  CA   . ASP   A 1 70  ? 5.416   6.397  13.431 1.00 16.37 ? 1134 ASP   A CA   1 
ATOM   442  C  C    . ASP   A 1 70  ? 4.270   7.387  13.451 1.00 17.44 ? 1134 ASP   A C    1 
ATOM   443  O  O    . ASP   A 1 70  ? 3.377   7.245  14.319 1.00 17.45 ? 1134 ASP   A O    1 
ATOM   444  C  CB   . ASP   A 1 70  ? 5.317   5.505  12.191 1.00 17.46 ? 1134 ASP   A CB   1 
ATOM   445  C  CG   . ASP   A 1 70  ? 3.901   4.994  12.033 1.00 16.85 ? 1134 ASP   A CG   1 
ATOM   446  O  OD1  . ASP   A 1 70  ? 3.533   4.146  12.832 1.00 19.59 ? 1134 ASP   A OD1  1 
ATOM   447  O  OD2  . ASP   A 1 70  ? 3.232   5.457  11.098 1.00 22.07 ? 1134 ASP   A OD2  1 
ATOM   448  N  N    . LEU   A 1 71  ? 4.249   8.326  12.517 1.00 16.21 ? 1135 LEU   A N    1 
ATOM   449  C  CA   . LEU   A 1 71  ? 3.236   9.404  12.489 1.00 17.12 ? 1135 LEU   A CA   1 
ATOM   450  C  C    . LEU   A 1 71  ? 1.840   8.787  12.345 1.00 18.43 ? 1135 LEU   A C    1 
ATOM   451  O  O    . LEU   A 1 71  ? 0.928   9.312  12.983 1.00 17.81 ? 1135 LEU   A O    1 
ATOM   452  C  CB   . LEU   A 1 71  ? 3.548   10.394 11.378 1.00 18.17 ? 1135 LEU   A CB   1 
ATOM   453  C  CG   . LEU   A 1 71  ? 4.848   11.183 11.519 1.00 18.57 ? 1135 LEU   A CG   1 
ATOM   454  C  CD1  . LEU   A 1 71  ? 5.149   11.958 10.239 1.00 19.37 ? 1135 LEU   A CD1  1 
ATOM   455  C  CD2  . LEU   A 1 71  ? 4.768   12.142 12.703 1.00 18.58 ? 1135 LEU   A CD2  1 
ATOM   456  N  N    . SER   A 1 72  ? 1.664   7.755  11.521 1.00 17.37 ? 1136 SER   A N    1 
ATOM   457  C  CA   . SER   A 1 72  ? 0.329   7.133  11.274 1.00 18.62 ? 1136 SER   A CA   1 
ATOM   458  C  C    . SER   A 1 72  ? -0.266  6.634  12.594 1.00 18.87 ? 1136 SER   A C    1 
ATOM   459  O  O    . SER   A 1 72  ? -1.491  6.775  12.832 1.00 17.96 ? 1136 SER   A O    1 
ATOM   460  C  CB   . SER   A 1 72  ? 0.421   6.025  10.197 1.00 17.34 ? 1136 SER   A CB   1 
ATOM   461  O  OG   . SER   A 1 72  ? 0.846   4.766  10.670 1.00 22.62 ? 1136 SER   A OG   1 
ATOM   462  N  N    . THR   A 1 73  ? 0.546   5.995  13.403 1.00 18.11 ? 1137 THR   A N    1 
ATOM   463  C  CA   . THR   A 1 73  ? 0.109   5.370  14.670 1.00 18.27 ? 1137 THR   A CA   1 
ATOM   464  C  C    . THR   A 1 73  ? -0.214  6.493  15.663 1.00 17.76 ? 1137 THR   A C    1 
ATOM   465  O  O    . THR   A 1 73  ? -1.239  6.387  16.355 1.00 17.16 ? 1137 THR   A O    1 
ATOM   466  C  CB   . THR   A 1 73  ? 1.173   4.407  15.196 1.00 19.36 ? 1137 THR   A CB   1 
ATOM   467  O  OG1  . THR   A 1 73  ? 1.396   3.399  14.195 1.00 19.81 ? 1137 THR   A OG1  1 
ATOM   468  C  CG2  . THR   A 1 73  ? 0.799   3.766  16.509 1.00 19.82 ? 1137 THR   A CG2  1 
ATOM   469  N  N    . ILE   A 1 74  ? 0.608   7.533  15.727 1.00 16.75 ? 1138 ILE   A N    1 
ATOM   470  C  CA   . ILE   A 1 74  ? 0.354   8.660  16.671 1.00 16.60 ? 1138 ILE   A CA   1 
ATOM   471  C  C    . ILE   A 1 74  ? -0.969  9.320  16.271 1.00 16.39 ? 1138 ILE   A C    1 
ATOM   472  O  O    . ILE   A 1 74  ? -1.812  9.655  17.143 1.00 17.46 ? 1138 ILE   A O    1 
ATOM   473  C  CB   . ILE   A 1 74  ? 1.538   9.647  16.687 1.00 16.48 ? 1138 ILE   A CB   1 
ATOM   474  C  CG1  . ILE   A 1 74  ? 2.811   8.968  17.210 1.00 18.20 ? 1138 ILE   A CG1  1 
ATOM   475  C  CG2  . ILE   A 1 74  ? 1.196   10.896 17.504 1.00 17.70 ? 1138 ILE   A CG2  1 
ATOM   476  C  CD1  . ILE   A 1 74  ? 4.081   9.791  16.970 1.00 18.02 ? 1138 ILE   A CD1  1 
ATOM   477  N  N    . LYS   A 1 75  ? -1.186  9.505  14.978 1.00 16.77 ? 1139 LYS   A N    1 
ATOM   478  C  CA   . LYS   A 1 75  ? -2.416  10.148 14.467 1.00 18.25 ? 1139 LYS   A CA   1 
ATOM   479  C  C    . LYS   A 1 75  ? -3.606  9.287  14.863 1.00 17.25 ? 1139 LYS   A C    1 
ATOM   480  O  O    . LYS   A 1 75  ? -4.590  9.845  15.390 1.00 17.91 ? 1139 LYS   A O    1 
ATOM   481  C  CB   . LYS   A 1 75  ? -2.344  10.330 12.956 1.00 19.94 ? 1139 LYS   A CB   1 
ATOM   482  C  CG   . LYS   A 1 75  ? -3.549  11.074 12.414 1.00 23.43 ? 1139 LYS   A CG   1 
ATOM   483  C  CD   . LYS   A 1 75  ? -3.507  11.344 10.947 1.00 27.11 ? 1139 LYS   A CD   1 
ATOM   484  C  CE   . LYS   A 1 75  ? -4.468  12.452 10.546 1.00 31.18 ? 1139 LYS   A CE   1 
ATOM   485  N  NZ   . LYS   A 1 75  ? -5.823  12.263 11.119 1.00 36.03 ? 1139 LYS   A NZ   1 
ATOM   486  N  N    A ARG   A 1 76  ? -3.503  7.966  14.677 0.50 16.34 ? 1140 ARG   A N    1 
ATOM   487  N  N    B ARG   A 1 76  ? -3.528  7.975  14.695 0.50 17.03 ? 1140 ARG   A N    1 
ATOM   488  C  CA   A ARG   A 1 76  ? -4.587  7.009  15.032 0.50 17.20 ? 1140 ARG   A CA   1 
ATOM   489  C  CA   B ARG   A 1 76  ? -4.689  7.121  15.040 0.50 18.30 ? 1140 ARG   A CA   1 
ATOM   490  C  C    A ARG   A 1 76  ? -4.899  7.110  16.530 0.50 17.35 ? 1140 ARG   A C    1 
ATOM   491  C  C    B ARG   A 1 76  ? -4.922  7.120  16.558 0.50 17.93 ? 1140 ARG   A C    1 
ATOM   492  O  O    A ARG   A 1 76  ? -6.090  7.110  16.894 0.50 15.81 ? 1140 ARG   A O    1 
ATOM   493  O  O    B ARG   A 1 76  ? -6.091  7.069  16.977 0.50 15.90 ? 1140 ARG   A O    1 
ATOM   494  C  CB   A ARG   A 1 76  ? -4.230  5.571  14.655 0.50 17.08 ? 1140 ARG   A CB   1 
ATOM   495  C  CB   B ARG   A 1 76  ? -4.493  5.722  14.476 0.50 19.07 ? 1140 ARG   A CB   1 
ATOM   496  C  CG   A ARG   A 1 76  ? -5.422  4.631  14.775 0.50 17.19 ? 1140 ARG   A CG   1 
ATOM   497  C  CG   B ARG   A 1 76  ? -5.624  4.793  14.863 0.50 19.83 ? 1140 ARG   A CG   1 
ATOM   498  C  CD   A ARG   A 1 76  ? -5.224  3.207  14.264 0.50 17.82 ? 1140 ARG   A CD   1 
ATOM   499  C  CD   B ARG   A 1 76  ? -5.163  4.019  16.063 0.50 21.67 ? 1140 ARG   A CD   1 
ATOM   500  N  NE   A ARG   A 1 76  ? -4.772  3.132  12.875 0.50 18.49 ? 1140 ARG   A NE   1 
ATOM   501  N  NE   B ARG   A 1 76  ? -4.093  3.147  15.633 0.50 23.43 ? 1140 ARG   A NE   1 
ATOM   502  C  CZ   A ARG   A 1 76  ? -3.517  2.859  12.515 0.50 17.85 ? 1140 ARG   A CZ   1 
ATOM   503  C  CZ   B ARG   A 1 76  ? -3.284  2.487  16.450 0.50 23.33 ? 1140 ARG   A CZ   1 
ATOM   504  N  NH1  A ARG   A 1 76  ? -2.597  2.657  13.441 0.50 19.12 ? 1140 ARG   A NH1  1 
ATOM   505  N  NH1  B ARG   A 1 76  ? -2.341  1.713  15.943 0.50 24.59 ? 1140 ARG   A NH1  1 
ATOM   506  N  NH2  A ARG   A 1 76  ? -3.196  2.803  11.239 0.50 19.32 ? 1140 ARG   A NH2  1 
ATOM   507  N  NH2  B ARG   A 1 76  ? -3.451  2.587  17.757 0.50 22.56 ? 1140 ARG   A NH2  1 
ATOM   508  N  N    . LYS   A 1 77  ? -3.867  7.210  17.366 1.00 16.49 ? 1141 LYS   A N    1 
ATOM   509  C  CA   . LYS   A 1 77  ? -4.012  7.302  18.838 1.00 16.87 ? 1141 LYS   A CA   1 
ATOM   510  C  C    . LYS   A 1 77  ? -4.673  8.629  19.186 1.00 17.75 ? 1141 LYS   A C    1 
ATOM   511  O  O    . LYS   A 1 77  ? -5.565  8.612  20.062 1.00 17.74 ? 1141 LYS   A O    1 
ATOM   512  C  CB   . LYS   A 1 77  ? -2.660  7.075  19.504 1.00 16.13 ? 1141 LYS   A CB   1 
ATOM   513  C  CG   . LYS   A 1 77  ? -2.227  5.633  19.351 1.00 17.40 ? 1141 LYS   A CG   1 
ATOM   514  C  CD   . LYS   A 1 77  ? -0.886  5.375  19.985 1.00 18.28 ? 1141 LYS   A CD   1 
ATOM   515  C  CE   . LYS   A 1 77  ? -0.980  5.341  21.486 1.00 17.77 ? 1141 LYS   A CE   1 
ATOM   516  N  NZ   . LYS   A 1 77  ? 0.302   4.931  22.099 1.00 18.93 ? 1141 LYS   A NZ   1 
ATOM   517  N  N    . LEU   A 1 78  ? -4.347  9.738  18.527 1.00 17.08 ? 1142 LEU   A N    1 
ATOM   518  C  CA   . LEU   A 1 78  ? -5.090  10.996 18.785 1.00 18.74 ? 1142 LEU   A CA   1 
ATOM   519  C  C    . LEU   A 1 78  ? -6.541  10.807 18.354 1.00 17.93 ? 1142 LEU   A C    1 
ATOM   520  O  O    . LEU   A 1 78  ? -7.442  11.261 19.064 1.00 20.93 ? 1142 LEU   A O    1 
ATOM   521  C  CB   . LEU   A 1 78  ? -4.498  12.189 18.037 1.00 20.51 ? 1142 LEU   A CB   1 
ATOM   522  C  CG   . LEU   A 1 78  ? -3.247  12.815 18.643 1.00 21.46 ? 1142 LEU   A CG   1 
ATOM   523  C  CD1  . LEU   A 1 78  ? -2.585  13.733 17.625 1.00 23.42 ? 1142 LEU   A CD1  1 
ATOM   524  C  CD2  . LEU   A 1 78  ? -3.572  13.584 19.914 1.00 22.63 ? 1142 LEU   A CD2  1 
ATOM   525  N  N    . ASP   A 1 79  ? -6.778  10.181 17.210 1.00 17.41 ? 1143 ASP   A N    1 
ATOM   526  C  CA   . ASP   A 1 79  ? -8.151  10.065 16.650 1.00 17.84 ? 1143 ASP   A CA   1 
ATOM   527  C  C    . ASP   A 1 79  ? -9.012  9.119  17.499 1.00 18.57 ? 1143 ASP   A C    1 
ATOM   528  O  O    . ASP   A 1 79  ? -10.254 9.213  17.363 1.00 22.83 ? 1143 ASP   A O    1 
ATOM   529  C  CB   . ASP   A 1 79  ? -8.101  9.596  15.194 1.00 19.28 ? 1143 ASP   A CB   1 
ATOM   530  C  CG   . ASP   A 1 79  ? -7.604  10.645 14.217 1.00 21.43 ? 1143 ASP   A CG   1 
ATOM   531  O  OD1  . ASP   A 1 79  ? -7.618  11.839 14.587 1.00 22.05 ? 1143 ASP   A OD1  1 
ATOM   532  O  OD2  . ASP   A 1 79  ? -7.201  10.256 13.100 1.00 25.33 ? 1143 ASP   A OD2  1 
ATOM   533  N  N    . THR   A 1 80  ? -8.426  8.261  18.323 1.00 17.94 ? 1144 THR   A N    1 
ATOM   534  C  CA   . THR   A 1 80  ? -9.193  7.290  19.147 1.00 17.59 ? 1144 THR   A CA   1 
ATOM   535  C  C    . THR   A 1 80  ? -9.083  7.611  20.641 1.00 20.89 ? 1144 THR   A C    1 
ATOM   536  O  O    . THR   A 1 80  ? -9.416  6.731  21.474 1.00 22.28 ? 1144 THR   A O    1 
ATOM   537  C  CB   . THR   A 1 80  ? -8.726  5.867  18.854 1.00 17.72 ? 1144 THR   A CB   1 
ATOM   538  O  OG1  . THR   A 1 80  ? -7.313  5.823  19.028 1.00 18.62 ? 1144 THR   A OG1  1 
ATOM   539  C  CG2  . THR   A 1 80  ? -9.107  5.436  17.458 1.00 17.04 ? 1144 THR   A CG2  1 
ATOM   540  N  N    . GLY   A 1 81  ? -8.529  8.774  20.994 1.00 20.41 ? 1145 GLY   A N    1 
ATOM   541  C  CA   . GLY   A 1 81  ? -8.504  9.257  22.390 1.00 20.63 ? 1145 GLY   A CA   1 
ATOM   542  C  C    . GLY   A 1 81  ? -7.620  8.426  23.291 1.00 21.35 ? 1145 GLY   A C    1 
ATOM   543  O  O    . GLY   A 1 81  ? -7.914  8.304  24.498 1.00 24.55 ? 1145 GLY   A O    1 
ATOM   544  N  N    A GLN   A 1 82  ? -6.551  7.841  22.749 0.50 18.98 ? 1146 GLN   A N    1 
ATOM   545  N  N    B GLN   A 1 82  ? -6.558  7.828  22.729 0.50 20.90 ? 1146 GLN   A N    1 
ATOM   546  C  CA   A GLN   A 1 82  ? -5.694  6.921  23.535 0.50 18.88 ? 1146 GLN   A CA   1 
ATOM   547  C  CA   B GLN   A 1 82  ? -5.603  6.970  23.480 0.50 22.09 ? 1146 GLN   A CA   1 
ATOM   548  C  C    A GLN   A 1 82  ? -4.661  7.726  24.357 0.50 19.30 ? 1146 GLN   A C    1 
ATOM   549  C  C    B GLN   A 1 82  ? -4.819  7.792  24.495 0.50 21.37 ? 1146 GLN   A C    1 
ATOM   550  O  O    A GLN   A 1 82  ? -3.970  7.107  25.174 0.50 21.77 ? 1146 GLN   A O    1 
ATOM   551  O  O    B GLN   A 1 82  ? -4.452  7.235  25.544 0.50 25.00 ? 1146 GLN   A O    1 
ATOM   552  C  CB   A GLN   A 1 82  ? -5.082  5.871  22.598 0.50 17.02 ? 1146 GLN   A CB   1 
ATOM   553  C  CB   B GLN   A 1 82  ? -4.553  6.339  22.569 0.50 22.15 ? 1146 GLN   A CB   1 
ATOM   554  C  CG   A GLN   A 1 82  ? -6.078  4.907  21.941 0.50 16.41 ? 1146 GLN   A CG   1 
ATOM   555  C  CG   B GLN   A 1 82  ? -5.103  5.183  21.763 0.50 23.25 ? 1146 GLN   A CG   1 
ATOM   556  C  CD   A GLN   A 1 82  ? -5.339  3.871  21.119 0.50 16.23 ? 1146 GLN   A CD   1 
ATOM   557  C  CD   B GLN   A 1 82  ? -5.967  4.323  22.646 0.50 23.12 ? 1146 GLN   A CD   1 
ATOM   558  O  OE1  A GLN   A 1 82  ? -4.375  3.277  21.616 0.50 17.85 ? 1146 GLN   A OE1  1 
ATOM   559  O  OE1  B GLN   A 1 82  ? -5.508  3.767  23.645 0.50 23.83 ? 1146 GLN   A OE1  1 
ATOM   560  N  NE2  A GLN   A 1 82  ? -5.729  3.689  19.856 0.50 15.80 ? 1146 GLN   A NE2  1 
ATOM   561  N  NE2  B GLN   A 1 82  ? -7.229  4.215  22.279 0.50 26.08 ? 1146 GLN   A NE2  1 
ATOM   562  N  N    . TYR   A 1 83  ? -4.526  9.047  24.164 1.00 20.43 ? 1147 TYR   A N    1 
ATOM   563  C  CA   . TYR   A 1 83  ? -3.683  9.924  25.021 1.00 20.80 ? 1147 TYR   A CA   1 
ATOM   564  C  C    . TYR   A 1 83  ? -4.622  10.581 26.038 1.00 21.93 ? 1147 TYR   A C    1 
ATOM   565  O  O    . TYR   A 1 83  ? -5.494  11.355 25.629 1.00 26.47 ? 1147 TYR   A O    1 
ATOM   566  C  CB   . TYR   A 1 83  ? -2.911  10.963 24.203 1.00 19.97 ? 1147 TYR   A CB   1 
ATOM   567  C  CG   . TYR   A 1 83  ? -1.988  10.364 23.174 1.00 19.07 ? 1147 TYR   A CG   1 
ATOM   568  C  CD1  . TYR   A 1 83  ? -0.997  9.462  23.529 1.00 18.41 ? 1147 TYR   A CD1  1 
ATOM   569  C  CD2  . TYR   A 1 83  ? -2.159  10.640 21.839 1.00 18.27 ? 1147 TYR   A CD2  1 
ATOM   570  C  CE1  . TYR   A 1 83  ? -0.160  8.890  22.588 1.00 17.83 ? 1147 TYR   A CE1  1 
ATOM   571  C  CE2  . TYR   A 1 83  ? -1.337  10.079 20.879 1.00 18.36 ? 1147 TYR   A CE2  1 
ATOM   572  C  CZ   . TYR   A 1 83  ? -0.334  9.204  21.253 1.00 18.26 ? 1147 TYR   A CZ   1 
ATOM   573  O  OH   . TYR   A 1 83  ? 0.452   8.653  20.287 1.00 18.30 ? 1147 TYR   A OH   1 
ATOM   574  N  N    A GLN   A 1 84  ? -4.437  10.241 27.313 0.50 23.35 ? 1148 GLN   A N    1 
ATOM   575  N  N    B GLN   A 1 84  ? -4.426  10.300 27.320 0.50 22.92 ? 1148 GLN   A N    1 
ATOM   576  C  CA   A GLN   A 1 84  ? -5.183  10.833 28.458 0.50 24.62 ? 1148 GLN   A CA   1 
ATOM   577  C  CA   B GLN   A 1 84  ? -5.249  10.897 28.408 0.50 23.88 ? 1148 GLN   A CA   1 
ATOM   578  C  C    A GLN   A 1 84  ? -4.619  12.229 28.714 0.50 23.13 ? 1148 GLN   A C    1 
ATOM   579  C  C    B GLN   A 1 84  ? -4.585  12.197 28.867 0.50 22.85 ? 1148 GLN   A C    1 
ATOM   580  O  O    A GLN   A 1 84  ? -5.432  13.166 28.961 0.50 23.43 ? 1148 GLN   A O    1 
ATOM   581  O  O    B GLN   A 1 84  ? -5.270  13.044 29.458 0.50 22.98 ? 1148 GLN   A O    1 
ATOM   582  C  CB   A GLN   A 1 84  ? -5.058  9.967  29.715 0.50 26.96 ? 1148 GLN   A CB   1 
ATOM   583  C  CB   B GLN   A 1 84  ? -5.430  9.898  29.551 0.50 25.77 ? 1148 GLN   A CB   1 
ATOM   584  C  CG   A GLN   A 1 84  ? -5.821  8.653  29.630 0.50 29.79 ? 1148 GLN   A CG   1 
ATOM   585  C  CG   B GLN   A 1 84  ? -6.130  8.615  29.124 0.50 27.89 ? 1148 GLN   A CG   1 
ATOM   586  C  CD   A GLN   A 1 84  ? -7.062  8.761  28.776 0.50 32.05 ? 1148 GLN   A CD   1 
ATOM   587  C  CD   B GLN   A 1 84  ? -5.149  7.522  28.775 0.50 28.66 ? 1148 GLN   A CD   1 
ATOM   588  O  OE1  A GLN   A 1 84  ? -8.116  9.211  29.224 0.50 34.09 ? 1148 GLN   A OE1  1 
ATOM   589  O  OE1  B GLN   A 1 84  ? -4.228  7.231  29.532 0.50 30.95 ? 1148 GLN   A OE1  1 
ATOM   590  N  NE2  A GLN   A 1 84  ? -6.951  8.326  27.529 0.50 34.50 ? 1148 GLN   A NE2  1 
ATOM   591  N  NE2  B GLN   A 1 84  ? -5.343  6.908  27.619 0.50 32.34 ? 1148 GLN   A NE2  1 
ATOM   592  N  N    . GLU   A 1 85  ? -3.290  12.359 28.618 1.00 23.44 ? 1149 GLU   A N    1 
ATOM   593  C  CA   . GLU   A 1 85  ? -2.545  13.583 29.012 1.00 24.93 ? 1149 GLU   A CA   1 
ATOM   594  C  C    . GLU   A 1 85  ? -1.511  13.905 27.949 1.00 21.87 ? 1149 GLU   A C    1 
ATOM   595  O  O    . GLU   A 1 85  ? -1.015  13.029 27.252 1.00 19.43 ? 1149 GLU   A O    1 
ATOM   596  C  CB   . GLU   A 1 85  ? -1.863  13.393 30.363 1.00 29.34 ? 1149 GLU   A CB   1 
ATOM   597  C  CG   . GLU   A 1 85  ? -2.854  13.236 31.498 1.00 32.52 ? 1149 GLU   A CG   1 
ATOM   598  C  CD   . GLU   A 1 85  ? -2.243  12.831 32.822 1.00 38.74 ? 1149 GLU   A CD   1 
ATOM   599  O  OE1  . GLU   A 1 85  ? -2.499  11.693 33.257 1.00 44.04 ? 1149 GLU   A OE1  1 
ATOM   600  O  OE2  . GLU   A 1 85  ? -1.520  13.653 33.407 1.00 42.15 ? 1149 GLU   A OE2  1 
ATOM   601  N  N    . PRO   A 1 86  ? -1.192  15.193 27.761 1.00 19.77 ? 1150 PRO   A N    1 
ATOM   602  C  CA   . PRO   A 1 86  ? -0.332  15.617 26.669 1.00 21.00 ? 1150 PRO   A CA   1 
ATOM   603  C  C    . PRO   A 1 86  ? 1.058   14.970 26.703 1.00 18.60 ? 1150 PRO   A C    1 
ATOM   604  O  O    . PRO   A 1 86  ? 1.576   14.696 25.624 1.00 18.22 ? 1150 PRO   A O    1 
ATOM   605  C  CB   . PRO   A 1 86  ? -0.228  17.142 26.805 1.00 21.95 ? 1150 PRO   A CB   1 
ATOM   606  C  CG   . PRO   A 1 86  ? -1.302  17.558 27.801 1.00 22.59 ? 1150 PRO   A CG   1 
ATOM   607  C  CD   . PRO   A 1 86  ? -1.765  16.318 28.519 1.00 20.81 ? 1150 PRO   A CD   1 
ATOM   608  N  N    . TRP   A 1 87  ? 1.633   14.699 27.868 1.00 18.72 ? 1151 TRP   A N    1 
ATOM   609  C  CA   . TRP   A 1 87  ? 2.974   14.057 27.973 1.00 19.62 ? 1151 TRP   A CA   1 
ATOM   610  C  C    . TRP   A 1 87  ? 2.967   12.689 27.291 1.00 19.15 ? 1151 TRP   A C    1 
ATOM   611  O  O    . TRP   A 1 87  ? 4.061   12.273 26.845 1.00 18.42 ? 1151 TRP   A O    1 
ATOM   612  C  CB   . TRP   A 1 87  ? 3.466   13.944 29.445 1.00 22.09 ? 1151 TRP   A CB   1 
ATOM   613  C  CG   . TRP   A 1 87  ? 2.674   13.021 30.327 1.00 26.42 ? 1151 TRP   A CG   1 
ATOM   614  C  CD1  . TRP   A 1 87  ? 1.640   13.381 31.146 1.00 33.06 ? 1151 TRP   A CD1  1 
ATOM   615  C  CD2  . TRP   A 1 87  ? 2.855   11.604 30.532 1.00 30.28 ? 1151 TRP   A CD2  1 
ATOM   616  N  NE1  . TRP   A 1 87  ? 1.153   12.291 31.814 1.00 32.16 ? 1151 TRP   A NE1  1 
ATOM   617  C  CE2  . TRP   A 1 87  ? 1.875   11.184 31.459 1.00 33.19 ? 1151 TRP   A CE2  1 
ATOM   618  C  CE3  . TRP   A 1 87  ? 3.719   10.641 30.007 1.00 30.52 ? 1151 TRP   A CE3  1 
ATOM   619  C  CZ2  . TRP   A 1 87  ? 1.753   9.860  31.880 1.00 34.23 ? 1151 TRP   A CZ2  1 
ATOM   620  C  CZ3  . TRP   A 1 87  ? 3.595   9.328  30.415 1.00 32.51 ? 1151 TRP   A CZ3  1 
ATOM   621  C  CH2  . TRP   A 1 87  ? 2.627   8.944  31.343 1.00 34.55 ? 1151 TRP   A CH2  1 
ATOM   622  N  N    . GLN   A 1 88  ? 1.839   11.981 27.255 1.00 16.75 ? 1152 GLN   A N    1 
ATOM   623  C  CA   . GLN   A 1 88  ? 1.784   10.650 26.595 1.00 18.35 ? 1152 GLN   A CA   1 
ATOM   624  C  C    . GLN   A 1 88  ? 1.977   10.819 25.097 1.00 18.04 ? 1152 GLN   A C    1 
ATOM   625  O  O    . GLN   A 1 88  ? 2.660   9.973  24.470 1.00 17.01 ? 1152 GLN   A O    1 
ATOM   626  C  CB   . GLN   A 1 88  ? 0.471   9.974  26.929 1.00 19.75 ? 1152 GLN   A CB   1 
ATOM   627  C  CG   . GLN   A 1 88  ? 0.403   9.559  28.381 1.00 20.54 ? 1152 GLN   A CG   1 
ATOM   628  C  CD   . GLN   A 1 88  ? -0.966  9.035  28.711 1.00 23.06 ? 1152 GLN   A CD   1 
ATOM   629  O  OE1  . GLN   A 1 88  ? -1.971  9.553  28.251 1.00 26.18 ? 1152 GLN   A OE1  1 
ATOM   630  N  NE2  . GLN   A 1 88  ? -1.009  7.981  29.506 1.00 31.09 ? 1152 GLN   A NE2  1 
ATOM   631  N  N    . TYR   A 1 89  ? 1.397   11.859 24.511 1.00 15.80 ? 1153 TYR   A N    1 
ATOM   632  C  CA   . TYR   A 1 89  ? 1.584   12.173 23.075 1.00 16.59 ? 1153 TYR   A CA   1 
ATOM   633  C  C    . TYR   A 1 89  ? 3.054   12.506 22.832 1.00 16.84 ? 1153 TYR   A C    1 
ATOM   634  O  O    . TYR   A 1 89  ? 3.695   11.922 21.944 1.00 16.93 ? 1153 TYR   A O    1 
ATOM   635  C  CB   . TYR   A 1 89  ? 0.672   13.325 22.690 1.00 15.70 ? 1153 TYR   A CB   1 
ATOM   636  C  CG   . TYR   A 1 89  ? 1.054   13.981 21.399 1.00 15.35 ? 1153 TYR   A CG   1 
ATOM   637  C  CD1  . TYR   A 1 89  ? 0.729   13.391 20.187 1.00 15.61 ? 1153 TYR   A CD1  1 
ATOM   638  C  CD2  . TYR   A 1 89  ? 1.732   15.182 21.360 1.00 16.04 ? 1153 TYR   A CD2  1 
ATOM   639  C  CE1  . TYR   A 1 89  ? 1.052   13.997 18.986 1.00 16.24 ? 1153 TYR   A CE1  1 
ATOM   640  C  CE2  . TYR   A 1 89  ? 2.068   15.798 20.167 1.00 17.47 ? 1153 TYR   A CE2  1 
ATOM   641  C  CZ   . TYR   A 1 89  ? 1.720   15.207 18.964 1.00 16.34 ? 1153 TYR   A CZ   1 
ATOM   642  O  OH   . TYR   A 1 89  ? 2.071   15.809 17.771 1.00 18.23 ? 1153 TYR   A OH   1 
ATOM   643  N  N    . VAL   A 1 90  ? 3.617   13.422 23.627 1.00 16.43 ? 1154 VAL   A N    1 
ATOM   644  C  CA   . VAL   A 1 90  ? 5.050   13.805 23.483 1.00 16.57 ? 1154 VAL   A CA   1 
ATOM   645  C  C    . VAL   A 1 90  ? 5.948   12.564 23.598 1.00 15.79 ? 1154 VAL   A C    1 
ATOM   646  O  O    . VAL   A 1 90  ? 6.892   12.432 22.781 1.00 15.46 ? 1154 VAL   A O    1 
ATOM   647  C  CB   . VAL   A 1 90  ? 5.445   14.879 24.516 1.00 17.32 ? 1154 VAL   A CB   1 
ATOM   648  C  CG1  . VAL   A 1 90  ? 6.922   15.207 24.421 1.00 17.89 ? 1154 VAL   A CG1  1 
ATOM   649  C  CG2  . VAL   A 1 90  ? 4.592   16.130 24.367 1.00 17.79 ? 1154 VAL   A CG2  1 
ATOM   650  N  N    . ASP   A 1 91  ? 5.673   11.650 24.518 1.00 15.28 ? 1155 ASP   A N    1 
ATOM   651  C  CA   . ASP   A 1 91  ? 6.486   10.431 24.698 1.00 16.18 ? 1155 ASP   A CA   1 
ATOM   652  C  C    . ASP   A 1 91  ? 6.466   9.610  23.388 1.00 15.69 ? 1155 ASP   A C    1 
ATOM   653  O  O    . ASP   A 1 91  ? 7.505   9.057  23.062 1.00 15.44 ? 1155 ASP   A O    1 
ATOM   654  C  CB   . ASP   A 1 91  ? 5.998   9.609  25.885 1.00 18.16 ? 1155 ASP   A CB   1 
ATOM   655  C  CG   . ASP   A 1 91  ? 6.437   10.107 27.254 1.00 23.99 ? 1155 ASP   A CG   1 
ATOM   656  O  OD1  . ASP   A 1 91  ? 7.285   10.992 27.317 1.00 26.06 ? 1155 ASP   A OD1  1 
ATOM   657  O  OD2  . ASP   A 1 91  ? 5.943   9.532  28.238 1.00 29.20 ? 1155 ASP   A OD2  1 
ATOM   658  N  N    . ASP   A 1 92  ? 5.342   9.521  22.702 1.00 13.91 ? 1156 ASP   A N    1 
ATOM   659  C  CA   . ASP   A 1 92  ? 5.296   8.728  21.452 1.00 15.24 ? 1156 ASP   A CA   1 
ATOM   660  C  C    . ASP   A 1 92  ? 6.091   9.455  20.376 1.00 14.41 ? 1156 ASP   A C    1 
ATOM   661  O  O    . ASP   A 1 92  ? 6.744   8.783  19.573 1.00 15.14 ? 1156 ASP   A O    1 
ATOM   662  C  CB   . ASP   A 1 92  ? 3.868   8.448  21.008 1.00 15.08 ? 1156 ASP   A CB   1 
ATOM   663  C  CG   . ASP   A 1 92  ? 3.299   7.164  21.587 1.00 15.73 ? 1156 ASP   A CG   1 
ATOM   664  O  OD1  . ASP   A 1 92  ? 4.046   6.368  22.194 1.00 17.71 ? 1156 ASP   A OD1  1 
ATOM   665  O  OD2  . ASP   A 1 92  ? 2.082   6.927  21.361 1.00 17.64 ? 1156 ASP   A OD2  1 
ATOM   666  N  N    . VAL   A 1 93  ? 6.001   10.771 20.245 1.00 14.16 ? 1157 VAL   A N    1 
ATOM   667  C  CA   . VAL   A 1 93  ? 6.805   11.493 19.232 1.00 14.71 ? 1157 VAL   A CA   1 
ATOM   668  C  C    . VAL   A 1 93  ? 8.283   11.259 19.551 1.00 14.04 ? 1157 VAL   A C    1 
ATOM   669  O  O    . VAL   A 1 93  ? 9.067   10.954 18.651 1.00 14.89 ? 1157 VAL   A O    1 
ATOM   670  C  CB   . VAL   A 1 93  ? 6.452   12.979 19.172 1.00 15.55 ? 1157 VAL   A CB   1 
ATOM   671  C  CG1  . VAL   A 1 93  ? 7.406   13.684 18.231 1.00 16.61 ? 1157 VAL   A CG1  1 
ATOM   672  C  CG2  . VAL   A 1 93  ? 4.989   13.185 18.790 1.00 16.35 ? 1157 VAL   A CG2  1 
ATOM   673  N  N    . TRP   A 1 94  ? 8.691   11.388 20.801 1.00 13.93 ? 1158 TRP   A N    1 
ATOM   674  C  CA   . TRP   A 1 94  ? 10.110  11.200 21.185 1.00 14.41 ? 1158 TRP   A CA   1 
ATOM   675  C  C    . TRP   A 1 94  ? 10.560  9.751  20.934 1.00 14.18 ? 1158 TRP   A C    1 
ATOM   676  O  O    . TRP   A 1 94  ? 11.706  9.547  20.542 1.00 14.61 ? 1158 TRP   A O    1 
ATOM   677  C  CB   . TRP   A 1 94  ? 10.329  11.548 22.657 1.00 16.94 ? 1158 TRP   A CB   1 
ATOM   678  C  CG   . TRP   A 1 94  ? 10.265  13.007 22.990 1.00 18.67 ? 1158 TRP   A CG   1 
ATOM   679  C  CD1  . TRP   A 1 94  ? 10.192  14.080 22.160 1.00 20.62 ? 1158 TRP   A CD1  1 
ATOM   680  C  CD2  . TRP   A 1 94  ? 10.288  13.533 24.328 1.00 21.01 ? 1158 TRP   A CD2  1 
ATOM   681  N  NE1  . TRP   A 1 94  ? 10.185  15.251 22.894 1.00 21.55 ? 1158 TRP   A NE1  1 
ATOM   682  C  CE2  . TRP   A 1 94  ? 10.279  14.934 24.215 1.00 21.96 ? 1158 TRP   A CE2  1 
ATOM   683  C  CE3  . TRP   A 1 94  ? 10.387  12.934 25.588 1.00 23.33 ? 1158 TRP   A CE3  1 
ATOM   684  C  CZ2  . TRP   A 1 94  ? 10.307  15.761 25.342 1.00 24.95 ? 1158 TRP   A CZ2  1 
ATOM   685  C  CZ3  . TRP   A 1 94  ? 10.428  13.750 26.699 1.00 26.17 ? 1158 TRP   A CZ3  1 
ATOM   686  C  CH2  . TRP   A 1 94  ? 10.372  15.140 26.566 1.00 26.35 ? 1158 TRP   A CH2  1 
ATOM   687  N  N    . LEU   A 1 95  ? 9.673   8.790  21.160 1.00 13.97 ? 1159 LEU   A N    1 
ATOM   688  C  CA   . LEU   A 1 95  ? 9.939   7.353  20.889 1.00 13.39 ? 1159 LEU   A CA   1 
ATOM   689  C  C    . LEU   A 1 95  ? 10.251  7.185  19.402 1.00 13.46 ? 1159 LEU   A C    1 
ATOM   690  O  O    . LEU   A 1 95  ? 11.239  6.495  19.026 1.00 13.76 ? 1159 LEU   A O    1 
ATOM   691  C  CB   . LEU   A 1 95  ? 8.723   6.521  21.301 1.00 14.49 ? 1159 LEU   A CB   1 
ATOM   692  C  CG   . LEU   A 1 95  ? 8.790   5.034  20.951 1.00 14.86 ? 1159 LEU   A CG   1 
ATOM   693  C  CD1  . LEU   A 1 95  ? 9.983   4.369  21.608 1.00 14.68 ? 1159 LEU   A CD1  1 
ATOM   694  C  CD2  . LEU   A 1 95  ? 7.497   4.354  21.371 1.00 15.94 ? 1159 LEU   A CD2  1 
ATOM   695  N  N    . MET   A 1 96  ? 9.443   7.786  18.549 1.00 12.40 ? 1160 MET   A N    1 
ATOM   696  C  CA   . MET   A 1 96  ? 9.643   7.678  17.083 1.00 12.57 ? 1160 MET   A CA   1 
ATOM   697  C  C    . MET   A 1 96  ? 11.037  8.222  16.755 1.00 13.31 ? 1160 MET   A C    1 
ATOM   698  O  O    . MET   A 1 96  ? 11.785  7.628  15.950 1.00 14.00 ? 1160 MET   A O    1 
ATOM   699  C  CB   . MET   A 1 96  ? 8.554   8.476  16.362 1.00 14.01 ? 1160 MET   A CB   1 
ATOM   700  C  CG   . MET   A 1 96  ? 8.693   8.535  14.866 1.00 15.11 ? 1160 MET   A CG   1 
ATOM   701  S  SD   . MET   A 1 96  ? 7.351   9.493  14.142 1.00 17.00 ? 1160 MET   A SD   1 
ATOM   702  C  CE   . MET   A 1 96  ? 7.847   11.130 14.673 1.00 21.48 ? 1160 MET   A CE   1 
ATOM   703  N  N    . PHE   A 1 97  ? 11.401  9.388  17.279 1.00 12.96 ? 1161 PHE   A N    1 
ATOM   704  C  CA   . PHE   A 1 97  ? 12.722  9.974  16.967 1.00 14.13 ? 1161 PHE   A CA   1 
ATOM   705  C  C    . PHE   A 1 97  ? 13.825  9.102  17.569 1.00 13.29 ? 1161 PHE   A C    1 
ATOM   706  O  O    . PHE   A 1 97  ? 14.823  8.836  16.882 1.00 13.95 ? 1161 PHE   A O    1 
ATOM   707  C  CB   . PHE   A 1 97  ? 12.864  11.360 17.588 1.00 14.00 ? 1161 PHE   A CB   1 
ATOM   708  C  CG   . PHE   A 1 97  ? 11.931  12.410 17.067 1.00 15.34 ? 1161 PHE   A CG   1 
ATOM   709  C  CD1  . PHE   A 1 97  ? 11.396  12.373 15.793 1.00 17.23 ? 1161 PHE   A CD1  1 
ATOM   710  C  CD2  . PHE   A 1 97  ? 11.572  13.447 17.913 1.00 17.15 ? 1161 PHE   A CD2  1 
ATOM   711  C  CE1  . PHE   A 1 97  ? 10.528  13.367 15.360 1.00 17.59 ? 1161 PHE   A CE1  1 
ATOM   712  C  CE2  . PHE   A 1 97  ? 10.709  14.428 17.479 1.00 17.83 ? 1161 PHE   A CE2  1 
ATOM   713  C  CZ   . PHE   A 1 97  ? 10.193  14.397 16.206 1.00 17.63 ? 1161 PHE   A CZ   1 
ATOM   714  N  N    . ASN   A 1 98  ? 13.667  8.665  18.807 1.00 13.41 ? 1162 ASN   A N    1 
ATOM   715  C  CA   . ASN   A 1 98  ? 14.709  7.878  19.500 1.00 13.95 ? 1162 ASN   A CA   1 
ATOM   716  C  C    . ASN   A 1 98  ? 14.937  6.564  18.735 1.00 13.78 ? 1162 ASN   A C    1 
ATOM   717  O  O    . ASN   A 1 98  ? 16.080  6.161  18.586 1.00 14.50 ? 1162 ASN   A O    1 
ATOM   718  C  CB   . ASN   A 1 98  ? 14.351  7.613  20.955 1.00 13.99 ? 1162 ASN   A CB   1 
ATOM   719  C  CG   . ASN   A 1 98  ? 14.560  8.822  21.845 1.00 15.93 ? 1162 ASN   A CG   1 
ATOM   720  O  OD1  . ASN   A 1 98  ? 15.282  9.739  21.453 1.00 16.42 ? 1162 ASN   A OD1  1 
ATOM   721  N  ND2  . ASN   A 1 98  ? 13.936  8.798  23.008 1.00 18.23 ? 1162 ASN   A ND2  1 
ATOM   722  N  N    . ASN   A 1 99  ? 13.882  5.963  18.205 1.00 14.05 ? 1163 ASN   A N    1 
ATOM   723  C  CA   . ASN   A 1 99  ? 14.029  4.703  17.433 1.00 13.93 ? 1163 ASN   A CA   1 
ATOM   724  C  C    . ASN   A 1 99  ? 14.848  4.986  16.172 1.00 13.84 ? 1163 ASN   A C    1 
ATOM   725  O  O    . ASN   A 1 99  ? 15.700  4.141  15.816 1.00 13.74 ? 1163 ASN   A O    1 
ATOM   726  C  CB   . ASN   A 1 99  ? 12.664  4.174  17.035 1.00 14.54 ? 1163 ASN   A CB   1 
ATOM   727  C  CG   . ASN   A 1 99  ? 11.892  3.589  18.193 1.00 14.06 ? 1163 ASN   A CG   1 
ATOM   728  O  OD1  . ASN   A 1 99  ? 12.460  3.263  19.220 1.00 15.18 ? 1163 ASN   A OD1  1 
ATOM   729  N  ND2  . ASN   A 1 99  ? 10.603  3.388  17.941 1.00 14.72 ? 1163 ASN   A ND2  1 
ATOM   730  N  N    . ALA   A 1 100 ? 14.591  6.081  15.472 1.00 13.09 ? 1164 ALA   A N    1 
ATOM   731  C  CA   . ALA   A 1 100 ? 15.279  6.370  14.199 1.00 12.71 ? 1164 ALA   A CA   1 
ATOM   732  C  C    . ALA   A 1 100 ? 16.756  6.626  14.500 1.00 13.73 ? 1164 ALA   A C    1 
ATOM   733  O  O    . ALA   A 1 100 ? 17.630  6.202  13.731 1.00 14.98 ? 1164 ALA   A O    1 
ATOM   734  C  CB   . ALA   A 1 100 ? 14.641  7.516  13.450 1.00 13.50 ? 1164 ALA   A CB   1 
ATOM   735  N  N    . TRP   A 1 101 ? 17.047  7.387  15.554 1.00 13.65 ? 1165 TRP   A N    1 
ATOM   736  C  CA   . TRP   A 1 101 ? 18.455  7.673  15.902 1.00 14.61 ? 1165 TRP   A CA   1 
ATOM   737  C  C    . TRP   A 1 101 ? 19.171  6.409  16.356 1.00 15.43 ? 1165 TRP   A C    1 
ATOM   738  O  O    . TRP   A 1 101 ? 20.399  6.337  16.166 1.00 16.57 ? 1165 TRP   A O    1 
ATOM   739  C  CB   . TRP   A 1 101 ? 18.509  8.734  17.001 1.00 15.34 ? 1165 TRP   A CB   1 
ATOM   740  C  CG   . TRP   A 1 101 ? 18.198  10.115 16.534 1.00 15.70 ? 1165 TRP   A CG   1 
ATOM   741  C  CD1  . TRP   A 1 101 ? 18.611  10.764 15.403 1.00 16.91 ? 1165 TRP   A CD1  1 
ATOM   742  C  CD2  . TRP   A 1 101 ? 17.508  11.090 17.342 1.00 15.65 ? 1165 TRP   A CD2  1 
ATOM   743  N  NE1  . TRP   A 1 101 ? 18.183  12.064 15.433 1.00 18.09 ? 1165 TRP   A NE1  1 
ATOM   744  C  CE2  . TRP   A 1 101 ? 17.487  12.283 16.593 1.00 16.31 ? 1165 TRP   A CE2  1 
ATOM   745  C  CE3  . TRP   A 1 101 ? 16.867  11.050 18.574 1.00 16.83 ? 1165 TRP   A CE3  1 
ATOM   746  C  CZ2  . TRP   A 1 101 ? 16.861  13.443 17.065 1.00 17.20 ? 1165 TRP   A CZ2  1 
ATOM   747  C  CZ3  . TRP   A 1 101 ? 16.242  12.188 19.035 1.00 16.89 ? 1165 TRP   A CZ3  1 
ATOM   748  C  CH2  . TRP   A 1 101 ? 16.253  13.371 18.295 1.00 16.89 ? 1165 TRP   A CH2  1 
ATOM   749  N  N    . LEU   A 1 102 ? 18.468  5.472  16.955 1.00 14.73 ? 1166 LEU   A N    1 
ATOM   750  C  CA   . LEU   A 1 102 ? 19.052  4.201  17.474 1.00 15.28 ? 1166 LEU   A CA   1 
ATOM   751  C  C    . LEU   A 1 102 ? 19.356  3.278  16.290 1.00 15.73 ? 1166 LEU   A C    1 
ATOM   752  O  O    . LEU   A 1 102 ? 20.470  2.775  16.182 1.00 17.28 ? 1166 LEU   A O    1 
ATOM   753  C  CB   . LEU   A 1 102 ? 18.084  3.544  18.451 1.00 17.26 ? 1166 LEU   A CB   1 
ATOM   754  C  CG   . LEU   A 1 102 ? 18.477  2.151  18.944 1.00 18.74 ? 1166 LEU   A CG   1 
ATOM   755  C  CD1  . LEU   A 1 102 ? 19.785  2.218  19.729 1.00 19.39 ? 1166 LEU   A CD1  1 
ATOM   756  C  CD2  . LEU   A 1 102 ? 17.351  1.532  19.765 1.00 19.82 ? 1166 LEU   A CD2  1 
ATOM   757  N  N    . TYR   A 1 103 ? 18.411  3.124  15.374 1.00 14.95 ? 1167 TYR   A N    1 
ATOM   758  C  CA   . TYR   A 1 103 ? 18.564  2.110  14.294 1.00 14.58 ? 1167 TYR   A CA   1 
ATOM   759  C  C    . TYR   A 1 103 ? 19.569  2.616  13.253 1.00 15.76 ? 1167 TYR   A C    1 
ATOM   760  O  O    . TYR   A 1 103 ? 20.379  1.786  12.724 1.00 15.50 ? 1167 TYR   A O    1 
ATOM   761  C  CB   . TYR   A 1 103 ? 17.212  1.740  13.684 1.00 14.77 ? 1167 TYR   A CB   1 
ATOM   762  C  CG   . TYR   A 1 103 ? 17.428  0.769  12.551 1.00 14.50 ? 1167 TYR   A CG   1 
ATOM   763  C  CD1  . TYR   A 1 103 ? 17.697  -0.556 12.846 1.00 15.42 ? 1167 TYR   A CD1  1 
ATOM   764  C  CD2  . TYR   A 1 103 ? 17.494  1.190  11.238 1.00 14.62 ? 1167 TYR   A CD2  1 
ATOM   765  C  CE1  . TYR   A 1 103 ? 18.049  -1.452 11.848 1.00 16.50 ? 1167 TYR   A CE1  1 
ATOM   766  C  CE2  . TYR   A 1 103 ? 17.845  0.306  10.226 1.00 14.88 ? 1167 TYR   A CE2  1 
ATOM   767  C  CZ   . TYR   A 1 103 ? 18.112  -1.014 10.545 1.00 15.40 ? 1167 TYR   A CZ   1 
ATOM   768  O  OH   . TYR   A 1 103 ? 18.480  -1.899 9.559  1.00 16.73 ? 1167 TYR   A OH   1 
ATOM   769  N  N    . ASN   A 1 104 ? 19.430  3.875  12.844 1.00 14.81 ? 1168 ASN   A N    1 
ATOM   770  C  CA   . ASN   A 1 104 ? 20.152  4.459  11.692 1.00 16.05 ? 1168 ASN   A CA   1 
ATOM   771  C  C    . ASN   A 1 104 ? 21.530  4.922  12.136 1.00 16.22 ? 1168 ASN   A C    1 
ATOM   772  O  O    . ASN   A 1 104 ? 21.679  5.411  13.248 1.00 16.95 ? 1168 ASN   A O    1 
ATOM   773  C  CB   . ASN   A 1 104 ? 19.307  5.525  10.999 1.00 16.50 ? 1168 ASN   A CB   1 
ATOM   774  C  CG   . ASN   A 1 104 ? 18.033  4.906  10.463 1.00 16.24 ? 1168 ASN   A CG   1 
ATOM   775  O  OD1  . ASN   A 1 104 ? 18.044  4.268  9.398  1.00 18.73 ? 1168 ASN   A OD1  1 
ATOM   776  N  ND2  . ASN   A 1 104 ? 16.939  5.035  11.197 1.00 15.24 ? 1168 ASN   A ND2  1 
ATOM   777  N  N    . ARG   A 1 105 ? 22.489  4.795  11.234 1.00 17.08 ? 1169 ARG   A N    1 
ATOM   778  C  CA   . ARG   A 1 105 ? 23.829  5.377  11.428 1.00 17.47 ? 1169 ARG   A CA   1 
ATOM   779  C  C    . ARG   A 1 105 ? 23.759  6.901  11.441 1.00 18.76 ? 1169 ARG   A C    1 
ATOM   780  O  O    . ARG   A 1 105 ? 22.981  7.522  10.708 1.00 18.07 ? 1169 ARG   A O    1 
ATOM   781  C  CB   . ARG   A 1 105 ? 24.749  4.842  10.338 1.00 16.31 ? 1169 ARG   A CB   1 
ATOM   782  C  CG   . ARG   A 1 105 ? 24.982  3.349  10.498 1.00 16.41 ? 1169 ARG   A CG   1 
ATOM   783  C  CD   . ARG   A 1 105 ? 26.065  2.853  9.589  1.00 17.30 ? 1169 ARG   A CD   1 
ATOM   784  N  NE   . ARG   A 1 105 ? 26.145  1.415  9.636  1.00 16.38 ? 1169 ARG   A NE   1 
ATOM   785  C  CZ   . ARG   A 1 105 ? 26.737  0.721  10.605 1.00 17.00 ? 1169 ARG   A CZ   1 
ATOM   786  N  NH1  . ARG   A 1 105 ? 27.289  1.316  11.653 1.00 17.64 ? 1169 ARG   A NH1  1 
ATOM   787  N  NH2  . ARG   A 1 105 ? 26.734  -0.596 10.521 1.00 17.93 ? 1169 ARG   A NH2  1 
ATOM   788  N  N    . LYS   A 1 106 ? 24.666  7.502  12.200 1.00 21.07 ? 1170 LYS   A N    1 
ATOM   789  C  CA   . LYS   A 1 106 ? 24.716  8.972  12.376 1.00 23.14 ? 1170 LYS   A CA   1 
ATOM   790  C  C    . LYS   A 1 106 ? 24.903  9.645  11.020 1.00 21.85 ? 1170 LYS   A C    1 
ATOM   791  O  O    . LYS   A 1 106 ? 24.448  10.771 10.854 1.00 24.68 ? 1170 LYS   A O    1 
ATOM   792  C  CB   . LYS   A 1 106 ? 25.866  9.333  13.320 1.00 26.69 ? 1170 LYS   A CB   1 
ATOM   793  C  CG   . LYS   A 1 106 ? 25.886  10.776 13.794 1.00 32.36 ? 1170 LYS   A CG   1 
ATOM   794  C  CD   . LYS   A 1 106 ? 26.958  11.065 14.832 1.00 34.88 ? 1170 LYS   A CD   1 
ATOM   795  C  CE   . LYS   A 1 106 ? 26.906  10.137 16.028 1.00 36.61 ? 1170 LYS   A CE   1 
ATOM   796  N  N    . THR   A 1 107 ? 25.544  8.953  10.072 1.00 23.04 ? 1171 THR   A N    1 
ATOM   797  C  CA   . THR   A 1 107 ? 25.861  9.466  8.721  1.00 24.52 ? 1171 THR   A CA   1 
ATOM   798  C  C    . THR   A 1 107 ? 24.686  9.316  7.750  1.00 25.05 ? 1171 THR   A C    1 
ATOM   799  O  O    . THR   A 1 107 ? 24.781  9.825  6.618  1.00 27.42 ? 1171 THR   A O    1 
ATOM   800  C  CB   . THR   A 1 107 ? 27.110  8.747  8.190  1.00 27.40 ? 1171 THR   A CB   1 
ATOM   801  O  OG1  . THR   A 1 107 ? 26.935  7.334  8.353  1.00 27.71 ? 1171 THR   A OG1  1 
ATOM   802  C  CG2  . THR   A 1 107 ? 28.362  9.169  8.921  1.00 27.86 ? 1171 THR   A CG2  1 
ATOM   803  N  N    . SER   A 1 108 ? 23.589  8.654  8.135  1.00 21.91 ? 1172 SER   A N    1 
ATOM   804  C  CA   . SER   A 1 108 ? 22.532  8.259  7.168  1.00 20.07 ? 1172 SER   A CA   1 
ATOM   805  C  C    . SER   A 1 108 ? 21.516  9.390  6.921  1.00 19.51 ? 1172 SER   A C    1 
ATOM   806  O  O    . SER   A 1 108 ? 21.301  10.250 7.808  1.00 19.96 ? 1172 SER   A O    1 
ATOM   807  C  CB   . SER   A 1 108 ? 21.839  6.986  7.617  1.00 20.14 ? 1172 SER   A CB   1 
ATOM   808  O  OG   . SER   A 1 108 ? 21.032  7.257  8.748  1.00 19.55 ? 1172 SER   A OG   1 
ATOM   809  N  N    . ARG   A 1 109 ? 20.839  9.329  5.787  1.00 20.38 ? 1173 ARG   A N    1 
ATOM   810  C  CA   . ARG   A 1 109 ? 19.748  10.245 5.402  1.00 19.62 ? 1173 ARG   A CA   1 
ATOM   811  C  C    . ARG   A 1 109 ? 18.620  10.172 6.448  1.00 20.59 ? 1173 ARG   A C    1 
ATOM   812  O  O    . ARG   A 1 109 ? 18.137  11.215 6.911  1.00 20.39 ? 1173 ARG   A O    1 
ATOM   813  C  CB   . ARG   A 1 109 ? 19.222  9.904  4.005  1.00 23.01 ? 1173 ARG   A CB   1 
ATOM   814  C  CG   . ARG   A 1 109 ? 17.938  10.616 3.620  1.00 24.01 ? 1173 ARG   A CG   1 
ATOM   815  C  CD   . ARG   A 1 109 ? 17.689  10.542 2.133  1.00 27.57 ? 1173 ARG   A CD   1 
ATOM   816  N  NE   . ARG   A 1 109 ? 17.622  9.175  1.647  1.00 29.14 ? 1173 ARG   A NE   1 
ATOM   817  C  CZ   . ARG   A 1 109 ? 17.311  8.842  0.396  1.00 29.33 ? 1173 ARG   A CZ   1 
ATOM   818  N  NH1  . ARG   A 1 109 ? 17.270  7.569  0.045  1.00 28.65 ? 1173 ARG   A NH1  1 
ATOM   819  N  NH2  . ARG   A 1 109 ? 17.047  9.778  -0.493 1.00 28.77 ? 1173 ARG   A NH2  1 
ATOM   820  N  N    . VAL   A 1 110 ? 18.200  8.981  6.846  1.00 18.19 ? 1174 VAL   A N    1 
ATOM   821  C  CA   . VAL   A 1 110 ? 17.045  8.879  7.784  1.00 17.99 ? 1174 VAL   A CA   1 
ATOM   822  C  C    . VAL   A 1 110 ? 17.414  9.493  9.135  1.00 16.92 ? 1174 VAL   A C    1 
ATOM   823  O  O    . VAL   A 1 110 ? 16.590  10.188 9.725  1.00 17.76 ? 1174 VAL   A O    1 
ATOM   824  C  CB   . VAL   A 1 110 ? 16.556  7.439  7.948  1.00 16.86 ? 1174 VAL   A CB   1 
ATOM   825  C  CG1  . VAL   A 1 110 ? 15.547  7.395  9.073  1.00 16.97 ? 1174 VAL   A CG1  1 
ATOM   826  C  CG2  . VAL   A 1 110 ? 15.967  6.873  6.676  1.00 17.95 ? 1174 VAL   A CG2  1 
ATOM   827  N  N    . TYR   A 1 111 ? 18.643  9.354  9.587  1.00 15.45 ? 1175 TYR   A N    1 
ATOM   828  C  CA   . TYR   A 1 111 ? 19.085  9.926  10.876 1.00 16.49 ? 1175 TYR   A CA   1 
ATOM   829  C  C    . TYR   A 1 111 ? 19.025  11.440 10.770 1.00 17.97 ? 1175 TYR   A C    1 
ATOM   830  O  O    . TYR   A 1 111 ? 18.541  12.088 11.717 1.00 17.18 ? 1175 TYR   A O    1 
ATOM   831  C  CB   . TYR   A 1 111 ? 20.489  9.425  11.198 1.00 17.12 ? 1175 TYR   A CB   1 
ATOM   832  C  CG   . TYR   A 1 111 ? 21.040  9.801  12.547 1.00 17.13 ? 1175 TYR   A CG   1 
ATOM   833  C  CD1  . TYR   A 1 111 ? 21.504  11.082 12.798 1.00 18.48 ? 1175 TYR   A CD1  1 
ATOM   834  C  CD2  . TYR   A 1 111 ? 21.172  8.870  13.558 1.00 17.67 ? 1175 TYR   A CD2  1 
ATOM   835  C  CE1  . TYR   A 1 111 ? 22.070  11.414 14.017 1.00 18.25 ? 1175 TYR   A CE1  1 
ATOM   836  C  CE2  . TYR   A 1 111 ? 21.725  9.196  14.786 1.00 17.52 ? 1175 TYR   A CE2  1 
ATOM   837  C  CZ   . TYR   A 1 111 ? 22.197  10.470 15.017 1.00 19.68 ? 1175 TYR   A CZ   1 
ATOM   838  O  OH   . TYR   A 1 111 ? 22.748  10.740 16.248 1.00 22.09 ? 1175 TYR   A OH   1 
ATOM   839  N  N    . LYS   A 1 112 ? 19.467  11.976 9.639  1.00 18.48 ? 1176 LYS   A N    1 
ATOM   840  C  CA   . LYS   A 1 112 ? 19.522  13.449 9.432  1.00 20.75 ? 1176 LYS   A CA   1 
ATOM   841  C  C    . LYS   A 1 112 ? 18.091  13.984 9.354  1.00 19.95 ? 1176 LYS   A C    1 
ATOM   842  O  O    . LYS   A 1 112 ? 17.793  15.044 9.947  1.00 20.74 ? 1176 LYS   A O    1 
ATOM   843  C  CB   . LYS   A 1 112 ? 20.351  13.782 8.195  1.00 22.85 ? 1176 LYS   A CB   1 
ATOM   844  C  CG   . LYS   A 1 112 ? 21.843  13.600 8.399  1.00 26.18 ? 1176 LYS   A CG   1 
ATOM   845  C  CD   . LYS   A 1 112 ? 22.613  13.771 7.115  1.00 30.84 ? 1176 LYS   A CD   1 
ATOM   846  C  CE   . LYS   A 1 112 ? 23.894  12.971 7.095  1.00 35.35 ? 1176 LYS   A CE   1 
ATOM   847  N  NZ   . LYS   A 1 112 ? 24.730  13.280 8.278  1.00 38.84 ? 1176 LYS   A NZ   1 
ATOM   848  N  N    . PHE   A 1 113 ? 17.215  13.260 8.671  1.00 19.47 ? 1177 PHE   A N    1 
ATOM   849  C  CA   . PHE   A 1 113 ? 15.794  13.645 8.542  1.00 19.12 ? 1177 PHE   A CA   1 
ATOM   850  C  C    . PHE   A 1 113 ? 15.155  13.632 9.927  1.00 18.43 ? 1177 PHE   A C    1 
ATOM   851  O  O    . PHE   A 1 113 ? 14.390  14.543 10.267 1.00 18.37 ? 1177 PHE   A O    1 
ATOM   852  C  CB   . PHE   A 1 113 ? 15.069  12.707 7.586  1.00 19.33 ? 1177 PHE   A CB   1 
ATOM   853  C  CG   . PHE   A 1 113 ? 15.314  12.956 6.116  1.00 20.04 ? 1177 PHE   A CG   1 
ATOM   854  C  CD1  . PHE   A 1 113 ? 16.280  13.847 5.665  1.00 21.70 ? 1177 PHE   A CD1  1 
ATOM   855  C  CD2  . PHE   A 1 113 ? 14.562  12.277 5.176  1.00 20.78 ? 1177 PHE   A CD2  1 
ATOM   856  C  CE1  . PHE   A 1 113 ? 16.469  14.054 4.302  1.00 22.39 ? 1177 PHE   A CE1  1 
ATOM   857  C  CE2  . PHE   A 1 113 ? 14.741  12.500 3.819  1.00 22.86 ? 1177 PHE   A CE2  1 
ATOM   858  C  CZ   . PHE   A 1 113 ? 15.707  13.375 3.387  1.00 23.61 ? 1177 PHE   A CZ   1 
ATOM   859  N  N    . CYS   A 1 114 ? 15.439  12.600 10.710 1.00 18.16 ? 1178 CYS   A N    1 
ATOM   860  C  CA   . CYS   A 1 114 ? 14.952  12.530 12.100 1.00 16.17 ? 1178 CYS   A CA   1 
ATOM   861  C  C    . CYS   A 1 114 ? 15.352  13.810 12.847 1.00 18.01 ? 1178 CYS   A C    1 
ATOM   862  O  O    . CYS   A 1 114 ? 14.500  14.414 13.517 1.00 19.45 ? 1178 CYS   A O    1 
ATOM   863  C  CB   . CYS   A 1 114 ? 15.519  11.315 12.801 1.00 15.41 ? 1178 CYS   A CB   1 
ATOM   864  S  SG   . CYS   A 1 114 ? 14.818  11.157 14.451 1.00 16.71 ? 1178 CYS   A SG   1 
ATOM   865  N  N    . SER   A 1 115 ? 16.616  14.196 12.760 1.00 17.28 ? 1179 SER   A N    1 
ATOM   866  C  CA   . SER   A 1 115 ? 17.141  15.368 13.512 1.00 18.17 ? 1179 SER   A CA   1 
ATOM   867  C  C    . SER   A 1 115 ? 16.376  16.620 13.081 1.00 19.65 ? 1179 SER   A C    1 
ATOM   868  O  O    . SER   A 1 115 ? 16.049  17.465 13.959 1.00 21.09 ? 1179 SER   A O    1 
ATOM   869  C  CB   . SER   A 1 115 ? 18.639  15.499 13.309 1.00 18.42 ? 1179 SER   A CB   1 
ATOM   870  O  OG   . SER   A 1 115 ? 19.330  14.464 13.984 1.00 19.98 ? 1179 SER   A OG   1 
ATOM   871  N  N    . LYS   A 1 116 ? 16.051  16.748 11.800 1.00 22.16 ? 1180 LYS   A N    1 
ATOM   872  C  CA   . LYS   A 1 116 ? 15.270  17.905 11.283 1.00 22.51 ? 1180 LYS   A CA   1 
ATOM   873  C  C    . LYS   A 1 116 ? 13.874  17.911 11.922 1.00 23.90 ? 1180 LYS   A C    1 
ATOM   874  O  O    . LYS   A 1 116 ? 13.396  18.981 12.368 1.00 23.41 ? 1180 LYS   A O    1 
ATOM   875  C  CB   . LYS   A 1 116 ? 15.192  17.833 9.760  1.00 25.37 ? 1180 LYS   A CB   1 
ATOM   876  C  CG   . LYS   A 1 116 ? 14.241  18.826 9.112  1.00 28.68 ? 1180 LYS   A CG   1 
ATOM   877  C  CD   . LYS   A 1 116 ? 14.553  20.264 9.422  1.00 33.80 ? 1180 LYS   A CD   1 
ATOM   878  C  CE   . LYS   A 1 116 ? 13.864  21.191 8.445  1.00 35.18 ? 1180 LYS   A CE   1 
ATOM   879  N  NZ   . LYS   A 1 116 ? 14.030  22.600 8.847  1.00 37.57 ? 1180 LYS   A NZ   1 
ATOM   880  N  N    . LEU   A 1 117 ? 13.221  16.755 11.976 1.00 21.38 ? 1181 LEU   A N    1 
ATOM   881  C  CA   . LEU   A 1 117 ? 11.855  16.663 12.525 1.00 20.29 ? 1181 LEU   A CA   1 
ATOM   882  C  C    . LEU   A 1 117 ? 11.899  17.018 14.003 1.00 20.64 ? 1181 LEU   A C    1 
ATOM   883  O  O    . LEU   A 1 117 ? 10.949  17.687 14.474 1.00 20.92 ? 1181 LEU   A O    1 
ATOM   884  C  CB   . LEU   A 1 117 ? 11.301  15.247 12.365 1.00 21.74 ? 1181 LEU   A CB   1 
ATOM   885  C  CG   . LEU   A 1 117 ? 10.929  14.786 10.957 1.00 23.86 ? 1181 LEU   A CG   1 
ATOM   886  C  CD1  . LEU   A 1 117 ? 10.057  13.537 11.058 1.00 25.86 ? 1181 LEU   A CD1  1 
ATOM   887  C  CD2  . LEU   A 1 117 ? 10.200  15.857 10.157 1.00 24.85 ? 1181 LEU   A CD2  1 
ATOM   888  N  N    . ALA   A 1 118 ? 12.911  16.538 14.722 1.00 19.13 ? 1182 ALA   A N    1 
ATOM   889  C  CA   . ALA   A 1 118 ? 13.059  16.800 16.171 1.00 19.56 ? 1182 ALA   A CA   1 
ATOM   890  C  C    . ALA   A 1 118 ? 13.166  18.306 16.378 1.00 20.70 ? 1182 ALA   A C    1 
ATOM   891  O  O    . ALA   A 1 118 ? 12.603  18.787 17.355 1.00 21.19 ? 1182 ALA   A O    1 
ATOM   892  C  CB   . ALA   A 1 118 ? 14.246  16.084 16.741 1.00 21.21 ? 1182 ALA   A CB   1 
ATOM   893  N  N    . GLU   A 1 119 ? 13.931  18.994 15.544 1.00 22.37 ? 1183 GLU   A N    1 
ATOM   894  C  CA   . GLU   A 1 119 ? 14.077  20.475 15.662 1.00 25.02 ? 1183 GLU   A CA   1 
ATOM   895  C  C    . GLU   A 1 119 ? 12.707  21.130 15.479 1.00 23.76 ? 1183 GLU   A C    1 
ATOM   896  O  O    . GLU   A 1 119 ? 12.295  21.954 16.332 1.00 26.36 ? 1183 GLU   A O    1 
ATOM   897  C  CB   . GLU   A 1 119 ? 15.055  20.991 14.616 1.00 29.16 ? 1183 GLU   A CB   1 
ATOM   898  C  CG   . GLU   A 1 119 ? 16.501  20.696 14.930 1.00 35.62 ? 1183 GLU   A CG   1 
ATOM   899  C  CD   . GLU   A 1 119 ? 17.422  21.288 13.878 1.00 40.88 ? 1183 GLU   A CD   1 
ATOM   900  O  OE1  . GLU   A 1 119 ? 17.720  20.582 12.890 1.00 43.28 ? 1183 GLU   A OE1  1 
ATOM   901  O  OE2  . GLU   A 1 119 ? 17.799  22.475 14.030 1.00 46.30 ? 1183 GLU   A OE2  1 
ATOM   902  N  N    . VAL   A 1 120 ? 11.988  20.772 14.423 1.00 23.16 ? 1184 VAL   A N    1 
ATOM   903  C  CA   . VAL   A 1 120 ? 10.635  21.329 14.128 1.00 22.69 ? 1184 VAL   A CA   1 
ATOM   904  C  C    . VAL   A 1 120 ? 9.709   21.044 15.314 1.00 23.03 ? 1184 VAL   A C    1 
ATOM   905  O  O    . VAL   A 1 120 ? 8.985   21.963 15.753 1.00 24.12 ? 1184 VAL   A O    1 
ATOM   906  C  CB   . VAL   A 1 120 ? 10.071  20.754 12.822 1.00 23.88 ? 1184 VAL   A CB   1 
ATOM   907  C  CG1  . VAL   A 1 120 ? 8.609   21.138 12.615 1.00 25.36 ? 1184 VAL   A CG1  1 
ATOM   908  C  CG2  . VAL   A 1 120 ? 10.925  21.154 11.634 1.00 23.49 ? 1184 VAL   A CG2  1 
ATOM   909  N  N    . PHE   A 1 121 ? 9.722   19.824 15.847 1.00 22.29 ? 1185 PHE   A N    1 
ATOM   910  C  CA   . PHE   A 1 121 ? 8.782   19.423 16.919 1.00 20.46 ? 1185 PHE   A CA   1 
ATOM   911  C  C    . PHE   A 1 121 ? 9.058   20.272 18.150 1.00 23.51 ? 1185 PHE   A C    1 
ATOM   912  O  O    . PHE   A 1 121 ? 8.094   20.750 18.749 1.00 24.50 ? 1185 PHE   A O    1 
ATOM   913  C  CB   . PHE   A 1 121 ? 8.889   17.927 17.237 1.00 19.89 ? 1185 PHE   A CB   1 
ATOM   914  C  CG   . PHE   A 1 121 ? 7.859   17.460 18.233 1.00 18.80 ? 1185 PHE   A CG   1 
ATOM   915  C  CD1  . PHE   A 1 121 ? 6.508   17.458 17.919 1.00 20.00 ? 1185 PHE   A CD1  1 
ATOM   916  C  CD2  . PHE   A 1 121 ? 8.253   17.055 19.492 1.00 18.50 ? 1185 PHE   A CD2  1 
ATOM   917  C  CE1  . PHE   A 1 121 ? 5.572   17.028 18.848 1.00 19.33 ? 1185 PHE   A CE1  1 
ATOM   918  C  CE2  . PHE   A 1 121 ? 7.315   16.649 20.427 1.00 19.25 ? 1185 PHE   A CE2  1 
ATOM   919  C  CZ   . PHE   A 1 121 ? 5.976   16.647 20.105 1.00 18.84 ? 1185 PHE   A CZ   1 
ATOM   920  N  N    . GLU   A 1 122 ? 10.326  20.422 18.522 1.00 23.67 ? 1186 GLU   A N    1 
ATOM   921  C  CA   . GLU   A 1 122 ? 10.711  21.199 19.722 1.00 27.66 ? 1186 GLU   A CA   1 
ATOM   922  C  C    . GLU   A 1 122 ? 10.066  22.585 19.612 1.00 28.31 ? 1186 GLU   A C    1 
ATOM   923  O  O    . GLU   A 1 122 ? 9.463   23.027 20.612 1.00 29.31 ? 1186 GLU   A O    1 
ATOM   924  C  CB   . GLU   A 1 122 ? 12.230  21.259 19.835 1.00 28.92 ? 1186 GLU   A CB   1 
ATOM   925  C  CG   . GLU   A 1 122 ? 12.721  21.962 21.078 1.00 36.37 ? 1186 GLU   A CG   1 
ATOM   926  C  CD   . GLU   A 1 122 ? 14.225  22.123 21.038 1.00 41.20 ? 1186 GLU   A CD   1 
ATOM   927  O  OE1  . GLU   A 1 122 ? 14.923  21.087 20.937 1.00 46.92 ? 1186 GLU   A OE1  1 
ATOM   928  O  OE2  . GLU   A 1 122 ? 14.686  23.275 21.043 1.00 51.37 ? 1186 GLU   A OE2  1 
ATOM   929  N  N    . GLN   A 1 123 ? 10.160  23.230 18.445 1.00 28.68 ? 1187 GLN   A N    1 
ATOM   930  C  CA   . GLN   A 1 123 ? 9.626   24.602 18.232 1.00 32.70 ? 1187 GLN   A CA   1 
ATOM   931  C  C    . GLN   A 1 123 ? 8.103   24.597 18.397 1.00 29.87 ? 1187 GLN   A C    1 
ATOM   932  O  O    . GLN   A 1 123 ? 7.577   25.508 19.073 1.00 33.50 ? 1187 GLN   A O    1 
ATOM   933  C  CB   . GLN   A 1 123 ? 10.057  25.141 16.866 1.00 34.27 ? 1187 GLN   A CB   1 
ATOM   934  C  CG   . GLN   A 1 123 ? 11.560  25.355 16.759 1.00 39.88 ? 1187 GLN   A CG   1 
ATOM   935  C  CD   . GLN   A 1 123 ? 12.090  26.282 17.828 1.00 45.86 ? 1187 GLN   A CD   1 
ATOM   936  O  OE1  . GLN   A 1 123 ? 12.817  25.868 18.730 1.00 50.58 ? 1187 GLN   A OE1  1 
ATOM   937  N  NE2  . GLN   A 1 123 ? 11.707  27.549 17.748 1.00 48.03 ? 1187 GLN   A NE2  1 
ATOM   938  N  N    . GLU   A 1 124 ? 7.414   23.598 17.846 1.00 28.96 ? 1188 GLU   A N    1 
ATOM   939  C  CA   . GLU   A 1 124 ? 5.930   23.522 17.857 1.00 28.16 ? 1188 GLU   A CA   1 
ATOM   940  C  C    . GLU   A 1 124 ? 5.415   23.133 19.250 1.00 27.06 ? 1188 GLU   A C    1 
ATOM   941  O  O    . GLU   A 1 124 ? 4.379   23.687 19.696 1.00 27.08 ? 1188 GLU   A O    1 
ATOM   942  C  CB   . GLU   A 1 124 ? 5.453   22.524 16.805 1.00 31.47 ? 1188 GLU   A CB   1 
ATOM   943  C  CG   . GLU   A 1 124 ? 5.842   22.911 15.389 1.00 32.53 ? 1188 GLU   A CG   1 
ATOM   944  C  CD   . GLU   A 1 124 ? 5.029   24.034 14.775 1.00 38.23 ? 1188 GLU   A CD   1 
ATOM   945  O  OE1  . GLU   A 1 124 ? 3.854   24.204 15.169 1.00 41.97 ? 1188 GLU   A OE1  1 
ATOM   946  O  OE2  . GLU   A 1 124 ? 5.576   24.730 13.902 1.00 37.94 ? 1188 GLU   A OE2  1 
ATOM   947  N  N    . ILE   A 1 125 ? 6.068   22.200 19.939 1.00 26.41 ? 1189 ILE   A N    1 
ATOM   948  C  CA   . ILE   A 1 125 ? 5.452   21.565 21.137 1.00 25.72 ? 1189 ILE   A CA   1 
ATOM   949  C  C    . ILE   A 1 125 ? 5.563   22.479 22.362 1.00 26.97 ? 1189 ILE   A C    1 
ATOM   950  O  O    . ILE   A 1 125 ? 4.666   22.420 23.219 1.00 24.27 ? 1189 ILE   A O    1 
ATOM   951  C  CB   . ILE   A 1 125 ? 6.045   20.162 21.414 1.00 24.72 ? 1189 ILE   A CB   1 
ATOM   952  C  CG1  . ILE   A 1 125 ? 5.088   19.348 22.291 1.00 23.43 ? 1189 ILE   A CG1  1 
ATOM   953  C  CG2  . ILE   A 1 125 ? 7.445   20.243 22.011 1.00 24.57 ? 1189 ILE   A CG2  1 
ATOM   954  C  CD1  . ILE   A 1 125 ? 3.685   19.227 21.745 1.00 23.31 ? 1189 ILE   A CD1  1 
ATOM   955  N  N    . ASP   A 1 126 ? 6.634   23.265 22.468 1.00 28.29 ? 1190 ASP   A N    1 
ATOM   956  C  CA   . ASP   A 1 126 ? 6.929   24.020 23.712 1.00 30.62 ? 1190 ASP   A CA   1 
ATOM   957  C  C    . ASP   A 1 126 ? 5.734   24.911 24.083 1.00 30.15 ? 1190 ASP   A C    1 
ATOM   958  O  O    . ASP   A 1 126 ? 5.196   24.790 25.182 1.00 28.51 ? 1190 ASP   A O    1 
ATOM   959  C  CB   . ASP   A 1 126 ? 8.254   24.773 23.590 1.00 34.66 ? 1190 ASP   A CB   1 
ATOM   960  C  CG   . ASP   A 1 126 ? 8.723   25.326 24.923 1.00 41.40 ? 1190 ASP   A CG   1 
ATOM   961  O  OD1  . ASP   A 1 126 ? 8.110   24.961 25.943 1.00 48.84 ? 1190 ASP   A OD1  1 
ATOM   962  O  OD2  . ASP   A 1 126 ? 9.689   26.114 24.936 1.00 47.00 ? 1190 ASP   A OD2  1 
ATOM   963  N  N    . PRO   A 1 127 ? 5.274   25.840 23.215 1.00 31.24 ? 1191 PRO   A N    1 
ATOM   964  C  CA   . PRO   A 1 127 ? 4.171   26.728 23.580 1.00 31.49 ? 1191 PRO   A CA   1 
ATOM   965  C  C    . PRO   A 1 127 ? 2.841   25.983 23.738 1.00 30.68 ? 1191 PRO   A C    1 
ATOM   966  O  O    . PRO   A 1 127 ? 2.062   26.361 24.592 1.00 29.50 ? 1191 PRO   A O    1 
ATOM   967  C  CB   . PRO   A 1 127 ? 4.091   27.740 22.430 1.00 33.27 ? 1191 PRO   A CB   1 
ATOM   968  C  CG   . PRO   A 1 127 ? 4.779   27.054 21.267 1.00 35.03 ? 1191 PRO   A CG   1 
ATOM   969  C  CD   . PRO   A 1 127 ? 5.826   26.154 21.887 1.00 33.05 ? 1191 PRO   A CD   1 
ATOM   970  N  N    . VAL   A 1 128 ? 2.612   24.927 22.947 1.00 28.19 ? 1192 VAL   A N    1 
ATOM   971  C  CA   . VAL   A 1 128 ? 1.376   24.113 23.086 1.00 27.20 ? 1192 VAL   A CA   1 
ATOM   972  C  C    . VAL   A 1 128 ? 1.326   23.535 24.504 1.00 26.67 ? 1192 VAL   A C    1 
ATOM   973  O  O    . VAL   A 1 128 ? 0.246   23.570 25.099 1.00 26.60 ? 1192 VAL   A O    1 
ATOM   974  C  CB   . VAL   A 1 128 ? 1.252   23.013 22.012 1.00 26.44 ? 1192 VAL   A CB   1 
ATOM   975  C  CG1  . VAL   A 1 128 ? 0.086   22.086 22.309 1.00 27.17 ? 1192 VAL   A CG1  1 
ATOM   976  C  CG2  . VAL   A 1 128 ? 1.097   23.616 20.628 1.00 27.88 ? 1192 VAL   A CG2  1 
ATOM   977  N  N    . MET   A 1 129 ? 2.427   22.989 25.022 1.00 25.39 ? 1193 MET   A N    1 
ATOM   978  C  CA   . MET   A 1 129 ? 2.478   22.362 26.363 1.00 26.51 ? 1193 MET   A CA   1 
ATOM   979  C  C    . MET   A 1 129 ? 2.247   23.441 27.432 1.00 27.00 ? 1193 MET   A C    1 
ATOM   980  O  O    . MET   A 1 129 ? 1.504   23.170 28.410 1.00 27.92 ? 1193 MET   A O    1 
ATOM   981  C  CB   . MET   A 1 129 ? 3.817   21.650 26.580 1.00 26.19 ? 1193 MET   A CB   1 
ATOM   982  C  CG   . MET   A 1 129 ? 3.959   20.412 25.687 1.00 27.08 ? 1193 MET   A CG   1 
ATOM   983  S  SD   . MET   A 1 129 ? 2.676   19.142 25.935 1.00 27.20 ? 1193 MET   A SD   1 
ATOM   984  C  CE   . MET   A 1 129 ? 3.347   18.322 27.375 1.00 28.02 ? 1193 MET   A CE   1 
ATOM   985  N  N    . GLN   A 1 130 ? 2.818   24.625 27.227 1.00 30.95 ? 1194 GLN   A N    1 
ATOM   986  C  CA   . GLN   A 1 130 ? 2.622   25.780 28.151 1.00 33.68 ? 1194 GLN   A CA   1 
ATOM   987  C  C    . GLN   A 1 130 ? 1.128   26.128 28.184 1.00 33.80 ? 1194 GLN   A C    1 
ATOM   988  O  O    . GLN   A 1 130 ? 0.612   26.381 29.290 1.00 37.24 ? 1194 GLN   A O    1 
ATOM   989  C  CB   . GLN   A 1 130 ? 3.468   26.982 27.726 1.00 37.42 ? 1194 GLN   A CB   1 
ATOM   990  C  CG   . GLN   A 1 130 ? 4.971   26.763 27.842 1.00 40.59 ? 1194 GLN   A CG   1 
ATOM   991  C  CD   . GLN   A 1 130 ? 5.504   26.939 29.243 1.00 46.59 ? 1194 GLN   A CD   1 
ATOM   992  O  OE1  . GLN   A 1 130 ? 4.809   26.716 30.236 1.00 50.76 ? 1194 GLN   A OE1  1 
ATOM   993  N  NE2  . GLN   A 1 130 ? 6.761   27.347 29.332 1.00 51.27 ? 1194 GLN   A NE2  1 
ATOM   994  N  N    . SER   A 1 131 ? 0.452   26.107 27.030 1.00 28.63 ? 1195 SER   A N    1 
ATOM   995  C  CA   . SER   A 1 131 ? -0.983  26.484 26.879 1.00 30.84 ? 1195 SER   A CA   1 
ATOM   996  C  C    . SER   A 1 131 ? -1.917  25.435 27.514 1.00 33.31 ? 1195 SER   A C    1 
ATOM   997  O  O    . SER   A 1 131 ? -3.057  25.803 27.882 1.00 33.58 ? 1195 SER   A O    1 
ATOM   998  C  CB   . SER   A 1 131 ? -1.330  26.763 25.430 1.00 30.81 ? 1195 SER   A CB   1 
ATOM   999  O  OG   . SER   A 1 131 ? -1.705  25.583 24.740 1.00 33.17 ? 1195 SER   A OG   1 
ATOM   1000 N  N    . LEU   A 1 132 ? -1.478  24.174 27.632 1.00 30.13 ? 1196 LEU   A N    1 
ATOM   1001 C  CA   . LEU   A 1 132 ? -2.280  23.072 28.228 1.00 32.48 ? 1196 LEU   A CA   1 
ATOM   1002 C  C    . LEU   A 1 132 ? -2.037  22.990 29.742 1.00 34.84 ? 1196 LEU   A C    1 
ATOM   1003 O  O    . LEU   A 1 132 ? -2.817  22.289 30.408 1.00 36.36 ? 1196 LEU   A O    1 
ATOM   1004 C  CB   . LEU   A 1 132 ? -1.929  21.760 27.521 1.00 29.39 ? 1196 LEU   A CB   1 
ATOM   1005 C  CG   . LEU   A 1 132 ? -2.376  21.683 26.068 1.00 29.39 ? 1196 LEU   A CG   1 
ATOM   1006 C  CD1  . LEU   A 1 132 ? -1.777  20.452 25.402 1.00 28.37 ? 1196 LEU   A CD1  1 
ATOM   1007 C  CD2  . LEU   A 1 132 ? -3.894  21.675 25.961 1.00 29.73 ? 1196 LEU   A CD2  1 
ATOM   1008 N  N    . GLY   A 1 133 ? -1.029  23.705 30.260 1.00 41.41 ? 1197 GLY   A N    1 
ATOM   1009 C  CA   . GLY   A 1 133 ? -0.818  23.936 31.704 1.00 45.27 ? 1197 GLY   A CA   1 
ATOM   1010 C  C    . GLY   A 1 133 ? 0.075   22.873 32.316 1.00 49.59 ? 1197 GLY   A C    1 
ATOM   1011 O  O    . GLY   A 1 133 ? -0.266  21.689 32.302 1.00 53.35 ? 1197 GLY   A O    1 
HETATM 1012 C  CAS  . A1EDO B 2 .   ? 8.272   6.535  1.707  1.00 20.61 ? 1201 A1EDO A CAS  1 
HETATM 1013 C  CAT  . A1EDO B 2 .   ? 7.118   6.638  0.752  1.00 21.01 ? 1201 A1EDO A CAT  1 
HETATM 1014 O  OAU  . A1EDO B 2 .   ? 7.333   7.796  -0.065 1.00 22.16 ? 1201 A1EDO A OAU  1 
HETATM 1015 C  CAV  . A1EDO B 2 .   ? 8.555   7.664  -0.877 1.00 21.01 ? 1201 A1EDO A CAV  1 
HETATM 1016 C  CAW  . A1EDO B 2 .   ? 9.762   7.461  0.035  1.00 20.36 ? 1201 A1EDO A CAW  1 
HETATM 1017 N  NAR  . A1EDO B 2 .   ? 9.535   6.330  0.937  1.00 20.11 ? 1201 A1EDO A NAR  1 
HETATM 1018 C  CAQ  . A1EDO B 2 .   ? 10.757  5.990  1.719  1.00 19.86 ? 1201 A1EDO A CAQ  1 
HETATM 1019 C  CAX  . A1EDO B 2 .   ? 11.026  7.058  2.813  1.00 19.75 ? 1201 A1EDO A CAX  1 
HETATM 1020 C  CAP  . A1EDO B 2 .   ? 10.617  4.631  2.308  1.00 19.12 ? 1201 A1EDO A CAP  1 
HETATM 1021 N  NAM  . A1EDO B 2 .   ? 11.821  4.281  3.159  1.00 19.31 ? 1201 A1EDO A NAM  1 
HETATM 1022 C  CAL  . A1EDO B 2 .   ? 11.840  4.323  4.516  1.00 18.94 ? 1201 A1EDO A CAL  1 
HETATM 1023 C  CAK  . A1EDO B 2 .   ? 13.055  3.985  4.973  1.00 18.01 ? 1201 A1EDO A CAK  1 
HETATM 1024 C  CAF  . A1EDO B 2 .   ? 13.470  3.875  6.311  1.00 19.96 ? 1201 A1EDO A CAF  1 
HETATM 1025 C  CAA  . A1EDO B 2 .   ? 12.775  4.432  7.396  1.00 21.05 ? 1201 A1EDO A CAA  1 
HETATM 1026 C  CAB  . A1EDO B 2 .   ? 13.254  4.279  8.672  1.00 21.94 ? 1201 A1EDO A CAB  1 
HETATM 1027 C  CAI  . A1EDO B 2 .   ? 12.839  4.683  9.824  1.00 25.32 ? 1201 A1EDO A CAI  1 
HETATM 1028 C  CAJ  . A1EDO B 2 .   ? 11.615  5.485  9.979  1.00 24.37 ? 1201 A1EDO A CAJ  1 
HETATM 1029 N  NAH  . A1EDO B 2 .   ? 13.631  4.261  10.858 1.00 24.82 ? 1201 A1EDO A NAH  1 
HETATM 1030 O  OAG  . A1EDO B 2 .   ? 14.555  3.605  10.413 1.00 25.02 ? 1201 A1EDO A OAG  1 
HETATM 1031 C  CAC  . A1EDO B 2 .   ? 14.343  3.589  8.927  1.00 21.51 ? 1201 A1EDO A CAC  1 
HETATM 1032 C  CAD  . A1EDO B 2 .   ? 15.045  3.069  7.971  1.00 21.50 ? 1201 A1EDO A CAD  1 
HETATM 1033 C  CAE  . A1EDO B 2 .   ? 14.633  3.159  6.626  1.00 21.18 ? 1201 A1EDO A CAE  1 
HETATM 1034 N  NAO  . A1EDO B 2 .   ? 13.809  3.745  3.897  1.00 19.39 ? 1201 A1EDO A NAO  1 
HETATM 1035 C  CAN  . A1EDO B 2 .   ? 13.056  3.936  2.790  1.00 19.99 ? 1201 A1EDO A CAN  1 
HETATM 1036 C  CAY  . A1EDO B 2 .   ? 13.547  3.732  1.448  1.00 20.74 ? 1201 A1EDO A CAY  1 
HETATM 1037 C  CAZ  . A1EDO B 2 .   ? 14.179  2.341  1.359  1.00 21.01 ? 1201 A1EDO A CAZ  1 
HETATM 1038 C  CBA  . A1EDO B 2 .   ? 15.527  2.693  0.599  1.00 21.15 ? 1201 A1EDO A CBA  1 
HETATM 1039 C  CBB  . A1EDO B 2 .   ? 15.661  4.091  0.548  1.00 20.94 ? 1201 A1EDO A CBB  1 
HETATM 1040 O  OBD  . A1EDO B 2 .   ? 16.681  4.709  0.204  1.00 22.66 ? 1201 A1EDO A OBD  1 
HETATM 1041 N  NBC  . A1EDO B 2 .   ? 14.607  4.712  1.048  1.00 20.34 ? 1201 A1EDO A NBC  1 
HETATM 1042 C  CBE  . A1EDO B 2 .   ? 14.413  6.037  1.086  1.00 21.06 ? 1201 A1EDO A CBE  1 
HETATM 1043 C  CBJ  . A1EDO B 2 .   ? 14.662  6.764  2.253  1.00 21.95 ? 1201 A1EDO A CBJ  1 
HETATM 1044 C  CBI  . A1EDO B 2 .   ? 14.460  8.127  2.240  1.00 21.81 ? 1201 A1EDO A CBI  1 
HETATM 1045 CL CLBM . A1EDO B 2 .   ? 14.760  8.997  3.706  1.00 27.86 ? 1201 A1EDO A CLBM 1 
HETATM 1046 C  CBH  . A1EDO B 2 .   ? 13.989  8.829  1.163  1.00 23.42 ? 1201 A1EDO A CBH  1 
HETATM 1047 O  OBK  . A1EDO B 2 .   ? 13.845  10.174 1.318  1.00 25.50 ? 1201 A1EDO A OBK  1 
HETATM 1048 C  CBL  . A1EDO B 2 .   ? 13.460  10.980 0.169  1.00 26.16 ? 1201 A1EDO A CBL  1 
HETATM 1049 C  CBG  . A1EDO B 2 .   ? 13.741  8.105  -0.003 1.00 20.76 ? 1201 A1EDO A CBG  1 
HETATM 1050 C  CBF  . A1EDO B 2 .   ? 13.938  6.721  -0.016 1.00 20.46 ? 1201 A1EDO A CBF  1 
HETATM 1051 S  S    . DMS   C 3 .   ? 23.872  1.697  7.125  1.00 51.09 ? 1202 DMS   A S    1 
HETATM 1052 O  O    . DMS   C 3 .   ? 23.469  3.150  7.106  1.00 46.37 ? 1202 DMS   A O    1 
HETATM 1053 C  C1   . DMS   C 3 .   ? 22.366  0.778  7.187  1.00 41.10 ? 1202 DMS   A C1   1 
HETATM 1054 C  C2   . DMS   C 3 .   ? 24.359  1.367  5.443  1.00 44.18 ? 1202 DMS   A C2   1 
HETATM 1055 O  O    . HOH   D 4 .   ? 21.799  3.620  8.660  1.00 22.72 ? 1301 HOH   A O    1 
HETATM 1056 O  O    . HOH   D 4 .   ? -5.447  1.204  21.190 1.00 33.54 ? 1302 HOH   A O    1 
HETATM 1057 O  O    . HOH   D 4 .   ? -7.172  13.194 31.041 1.00 24.77 ? 1303 HOH   A O    1 
HETATM 1058 O  O    . HOH   D 4 .   ? 16.960  -0.443 2.464  1.00 31.59 ? 1304 HOH   A O    1 
HETATM 1059 O  O    . HOH   D 4 .   ? 5.086   0.968  19.942 1.00 31.87 ? 1305 HOH   A O    1 
HETATM 1060 O  O    . HOH   D 4 .   ? 13.130  3.946  13.328 1.00 18.32 ? 1306 HOH   A O    1 
HETATM 1061 O  O    . HOH   D 4 .   ? 19.475  4.117  7.304  1.00 23.13 ? 1307 HOH   A O    1 
HETATM 1062 O  O    . HOH   D 4 .   ? 22.457  4.860  15.607 1.00 26.67 ? 1308 HOH   A O    1 
HETATM 1063 O  O    . HOH   D 4 .   ? 0.528   8.714  7.984  1.00 31.13 ? 1309 HOH   A O    1 
HETATM 1064 O  O    . HOH   D 4 .   ? 23.999  13.178 11.749 1.00 31.76 ? 1310 HOH   A O    1 
HETATM 1065 O  O    . HOH   D 4 .   ? -6.489  21.906 15.815 1.00 41.68 ? 1311 HOH   A O    1 
HETATM 1066 O  O    . HOH   D 4 .   ? -2.288  23.811 18.840 1.00 33.76 ? 1312 HOH   A O    1 
HETATM 1067 O  O    . HOH   D 4 .   ? 5.142   2.328  13.912 1.00 23.83 ? 1313 HOH   A O    1 
HETATM 1068 O  O    . HOH   D 4 .   ? 8.328   5.067  9.957  1.00 23.00 ? 1314 HOH   A O    1 
HETATM 1069 O  O    . HOH   D 4 .   ? 2.955   7.464  25.308 1.00 23.15 ? 1315 HOH   A O    1 
HETATM 1070 O  O    . HOH   D 4 .   ? 9.878   3.118  14.904 1.00 20.52 ? 1316 HOH   A O    1 
HETATM 1071 O  O    . HOH   D 4 .   ? 28.872  5.515  8.080  1.00 25.16 ? 1317 HOH   A O    1 
HETATM 1072 O  O    . HOH   D 4 .   ? 5.524   6.274  24.422 1.00 24.40 ? 1318 HOH   A O    1 
HETATM 1073 O  O    . HOH   D 4 .   ? 0.421   22.900 12.227 1.00 39.37 ? 1319 HOH   A O    1 
HETATM 1074 O  O    . HOH   D 4 .   ? -1.247  1.540  18.879 1.00 42.51 ? 1320 HOH   A O    1 
HETATM 1075 O  O    . HOH   D 4 .   ? 4.147   0.102  6.659  1.00 29.08 ? 1321 HOH   A O    1 
HETATM 1076 O  O    . HOH   D 4 .   ? 1.866   1.373  5.466  1.00 35.90 ? 1322 HOH   A O    1 
HETATM 1077 O  O    . HOH   D 4 .   ? 18.144  -2.137 20.976 1.00 33.97 ? 1323 HOH   A O    1 
HETATM 1078 O  O    . HOH   D 4 .   ? 6.686   6.194  5.419  1.00 27.21 ? 1324 HOH   A O    1 
HETATM 1079 O  O    . HOH   D 4 .   ? 5.304   9.518  -0.539 1.00 35.75 ? 1325 HOH   A O    1 
HETATM 1080 O  O    . HOH   D 4 .   ? 3.006   3.993  22.964 1.00 24.16 ? 1326 HOH   A O    1 
HETATM 1081 O  O    . HOH   D 4 .   ? -5.909  11.251 22.956 1.00 28.20 ? 1327 HOH   A O    1 
HETATM 1082 O  O    . HOH   D 4 .   ? 22.005  -5.670 13.512 1.00 21.94 ? 1328 HOH   A O    1 
HETATM 1083 O  O    . HOH   D 4 .   ? 9.401   8.013  24.697 1.00 22.68 ? 1329 HOH   A O    1 
HETATM 1084 O  O    . HOH   D 4 .   ? 6.008   -5.910 2.754  1.00 33.75 ? 1330 HOH   A O    1 
HETATM 1085 O  O    . HOH   D 4 .   ? 19.263  17.332 9.773  1.00 34.17 ? 1331 HOH   A O    1 
HETATM 1086 O  O    . HOH   D 4 .   ? -3.472  7.261  11.024 1.00 22.35 ? 1332 HOH   A O    1 
HETATM 1087 O  O    . HOH   D 4 .   ? 5.929   -3.455 10.170 1.00 33.81 ? 1333 HOH   A O    1 
HETATM 1088 O  O    . HOH   D 4 .   ? 24.279  13.020 16.270 1.00 34.64 ? 1334 HOH   A O    1 
HETATM 1089 O  O    . HOH   D 4 .   ? 11.768  -9.421 20.868 1.00 36.87 ? 1335 HOH   A O    1 
HETATM 1090 O  O    . HOH   D 4 .   ? 14.390  -0.704 21.226 1.00 21.44 ? 1336 HOH   A O    1 
HETATM 1091 O  O    . HOH   D 4 .   ? 8.942   6.118  12.384 1.00 19.58 ? 1337 HOH   A O    1 
HETATM 1092 O  O    . HOH   D 4 .   ? 12.043  0.935  20.694 1.00 17.75 ? 1338 HOH   A O    1 
HETATM 1093 O  O    . HOH   D 4 .   ? -13.708 14.801 23.656 1.00 38.46 ? 1339 HOH   A O    1 
HETATM 1094 O  O    . HOH   D 4 .   ? -0.470  2.278  10.877 1.00 30.11 ? 1340 HOH   A O    1 
HETATM 1095 O  O    . HOH   D 4 .   ? 16.575  4.223  3.824  1.00 26.49 ? 1341 HOH   A O    1 
HETATM 1096 O  O    . HOH   D 4 .   ? 3.568   0.873  16.875 1.00 38.58 ? 1342 HOH   A O    1 
HETATM 1097 O  O    . HOH   D 4 .   ? 21.669  14.676 12.443 1.00 26.49 ? 1343 HOH   A O    1 
HETATM 1098 O  O    . HOH   D 4 .   ? 11.125  5.667  14.046 1.00 16.81 ? 1344 HOH   A O    1 
HETATM 1099 O  O    . HOH   D 4 .   ? 18.080  7.017  20.368 1.00 20.96 ? 1345 HOH   A O    1 
HETATM 1100 O  O    . HOH   D 4 .   ? 12.159  17.343 19.728 1.00 27.35 ? 1346 HOH   A O    1 
HETATM 1101 O  O    . HOH   D 4 .   ? -7.798  22.494 22.676 1.00 39.68 ? 1347 HOH   A O    1 
HETATM 1102 O  O    . HOH   D 4 .   ? 7.374   -0.808 12.485 1.00 24.36 ? 1348 HOH   A O    1 
HETATM 1103 O  O    . HOH   D 4 .   ? 14.274  4.010  21.257 1.00 22.45 ? 1349 HOH   A O    1 
HETATM 1104 O  O    . HOH   D 4 .   ? 0.568   5.988  24.716 1.00 32.33 ? 1350 HOH   A O    1 
HETATM 1105 O  O    . HOH   D 4 .   ? -5.982  7.997  11.896 1.00 28.43 ? 1351 HOH   A O    1 
HETATM 1106 O  O    . HOH   D 4 .   ? 17.594  17.466 16.379 1.00 31.81 ? 1352 HOH   A O    1 
HETATM 1107 O  O    . HOH   D 4 .   ? 0.618   2.283  21.034 1.00 34.59 ? 1353 HOH   A O    1 
HETATM 1108 O  O    . HOH   D 4 .   ? 19.979  -0.578 7.494  1.00 23.59 ? 1354 HOH   A O    1 
HETATM 1109 O  O    . HOH   D 4 .   ? 11.924  6.957  23.930 1.00 25.24 ? 1355 HOH   A O    1 
HETATM 1110 O  O    . HOH   D 4 .   ? -2.194  4.923  7.333  1.00 37.35 ? 1356 HOH   A O    1 
HETATM 1111 O  O    . HOH   D 4 .   ? 12.986  -6.765 11.650 1.00 22.79 ? 1357 HOH   A O    1 
HETATM 1112 O  O    . HOH   D 4 .   ? 7.900   1.199  5.818  1.00 26.59 ? 1358 HOH   A O    1 
HETATM 1113 O  O    . HOH   D 4 .   ? -7.089  12.904 21.421 1.00 29.59 ? 1359 HOH   A O    1 
HETATM 1114 O  O    . HOH   D 4 .   ? 0.946   16.255 30.249 1.00 31.03 ? 1360 HOH   A O    1 
HETATM 1115 O  O    . HOH   D 4 .   ? 12.280  -9.019 3.086  1.00 36.04 ? 1361 HOH   A O    1 
HETATM 1116 O  O    . HOH   D 4 .   ? -3.684  -0.431 14.427 1.00 36.84 ? 1362 HOH   A O    1 
HETATM 1117 O  O    . HOH   D 4 .   ? 19.122  6.483  5.531  1.00 22.62 ? 1363 HOH   A O    1 
HETATM 1118 O  O    . HOH   D 4 .   ? 3.777   9.958  1.690  1.00 33.54 ? 1364 HOH   A O    1 
HETATM 1119 O  O    . HOH   D 4 .   ? 10.637  17.978 21.735 1.00 30.42 ? 1365 HOH   A O    1 
HETATM 1120 O  O    . HOH   D 4 .   ? 7.595   1.997  12.799 1.00 21.30 ? 1366 HOH   A O    1 
HETATM 1121 O  O    . HOH   D 4 .   ? 21.810  7.212  3.846  1.00 32.58 ? 1367 HOH   A O    1 
HETATM 1122 O  O    . HOH   D 4 .   ? 9.921   9.498  26.770 1.00 33.42 ? 1368 HOH   A O    1 
HETATM 1123 O  O    . HOH   D 4 .   ? 18.003  6.412  2.969  1.00 23.48 ? 1369 HOH   A O    1 
HETATM 1124 O  O    . HOH   D 4 .   ? 16.640  7.874  -2.975 1.00 35.26 ? 1370 HOH   A O    1 
HETATM 1125 O  O    . HOH   D 4 .   ? 8.714   4.294  5.768  1.00 32.65 ? 1371 HOH   A O    1 
HETATM 1126 O  O    . HOH   D 4 .   ? 4.942   -0.831 4.238  1.00 35.97 ? 1372 HOH   A O    1 
HETATM 1127 O  O    . HOH   D 4 .   ? -3.110  1.949  8.113  1.00 36.85 ? 1373 HOH   A O    1 
HETATM 1128 O  O    . HOH   D 4 .   ? -0.346  1.045  8.494  1.00 40.05 ? 1374 HOH   A O    1 
HETATM 1129 O  O    . HOH   D 4 .   ? 16.822  5.059  22.003 1.00 28.45 ? 1375 HOH   A O    1 
HETATM 1130 O  O    . HOH   D 4 .   ? 7.898   6.007  25.351 1.00 31.59 ? 1376 HOH   A O    1 
HETATM 1131 O  O    . HOH   D 4 .   ? 24.225  -0.000 13.549 0.50 42.27 ? 1377 HOH   A O    1 
HETATM 1132 O  O    . HOH   D 4 .   ? -1.981  -1.027 19.167 1.00 36.60 ? 1378 HOH   A O    1 
HETATM 1133 O  O    . HOH   D 4 .   ? 12.094  -9.097 8.255  1.00 38.86 ? 1379 HOH   A O    1 
HETATM 1134 O  O    . HOH   D 4 .   ? 12.931  4.590  23.628 1.00 34.50 ? 1380 HOH   A O    1 
HETATM 1135 O  O    . HOH   D 4 .   ? 17.779  1.647  3.759  1.00 31.34 ? 1381 HOH   A O    1 
HETATM 1136 O  O    . HOH   D 4 .   ? 17.923  0.000  -0.000 0.50 34.67 ? 1382 HOH   A O    1 
HETATM 1137 O  O    . HOH   D 4 .   ? 10.858  -8.154 10.415 1.00 33.23 ? 1383 HOH   A O    1 
HETATM 1138 O  O    . HOH   D 4 .   ? 11.835  13.182 -1.975 1.00 33.60 ? 1384 HOH   A O    1 
# 
