data_9JUT
# 
_entry.id   9JUT 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.402 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   9JUT         pdb_00009jut 10.2210/pdb9jut/pdb 
WWPDB D_1300052292 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2025-03-12 
_pdbx_audit_revision_history.part_number         ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9JUT 
_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            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_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 'Histone acetyltransferase p300' 16708.041 1  2.3.1.48,2.3.1.- ? ? 
'EP300_HUMAN, Q09472, A1040-G1161 sequence from 1021-1039 are tags. MKKGHHHHHHENLYFQGGS' 
2 non-polymer syn 
;(6~{S})-1-(3-chloranyl-4-methoxy-phenyl)-6-[4-(3-methyl-1,2-benzoxazol-5-yl)-1-[(2~{S})-2-morpholin-4-ylpropyl]imidazol-2-yl]piperidin-2-one
;
564.075   1  ?                ? ? ?                                                                                        
3 water       nat water 18.015    45 ?                ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;p300 HAT,E1A-associated protein p300,Histone butyryltransferase p300,Histone crotonyltransferase p300,Protein 2-hydroxyisobutyryltransferase p300,Protein lactyltransferas p300,Protein propionyltransferase p300
;
# 
_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       
;MKKGHHHHHHENLYFQGGSAPGQSKKKIFKPEELRQALMPTLEALYRQDPESLPFRQPVDPQLLGIPDYFDIVKSPMDLS
TIKRKLDTGQYQEPWQYVDDIWLMFNNAWLYNRKTSRVYKYCSKLSEVFEQEIDPVMQSLG
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MKKGHHHHHHENLYFQGGSAPGQSKKKIFKPEELRQALMPTLEALYRQDPESLPFRQPVDPQLLGIPDYFDIVKSPMDLS
TIKRKLDTGQYQEPWQYVDDIWLMFNNAWLYNRKTSRVYKYCSKLSEVFEQEIDPVMQSLG
;
_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 
;(6~{S})-1-(3-chloranyl-4-methoxy-phenyl)-6-[4-(3-methyl-1,2-benzoxazol-5-yl)-1-[(2~{S})-2-morpholin-4-ylpropyl]imidazol-2-yl]piperidin-2-one
;
A1EDM 
3 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  GLU n 
1 12  ASN n 
1 13  LEU n 
1 14  TYR n 
1 15  PHE n 
1 16  GLN n 
1 17  GLY n 
1 18  GLY n 
1 19  SER n 
1 20  ALA n 
1 21  PRO n 
1 22  GLY n 
1 23  GLN n 
1 24  SER n 
1 25  LYS n 
1 26  LYS n 
1 27  LYS n 
1 28  ILE n 
1 29  PHE n 
1 30  LYS n 
1 31  PRO n 
1 32  GLU n 
1 33  GLU n 
1 34  LEU n 
1 35  ARG n 
1 36  GLN n 
1 37  ALA n 
1 38  LEU n 
1 39  MET n 
1 40  PRO n 
1 41  THR n 
1 42  LEU n 
1 43  GLU n 
1 44  ALA n 
1 45  LEU n 
1 46  TYR n 
1 47  ARG n 
1 48  GLN n 
1 49  ASP n 
1 50  PRO n 
1 51  GLU n 
1 52  SER n 
1 53  LEU n 
1 54  PRO n 
1 55  PHE n 
1 56  ARG n 
1 57  GLN n 
1 58  PRO n 
1 59  VAL n 
1 60  ASP n 
1 61  PRO n 
1 62  GLN n 
1 63  LEU n 
1 64  LEU n 
1 65  GLY n 
1 66  ILE n 
1 67  PRO n 
1 68  ASP n 
1 69  TYR n 
1 70  PHE n 
1 71  ASP n 
1 72  ILE n 
1 73  VAL n 
1 74  LYS n 
1 75  SER n 
1 76  PRO n 
1 77  MET n 
1 78  ASP n 
1 79  LEU n 
1 80  SER n 
1 81  THR n 
1 82  ILE n 
1 83  LYS n 
1 84  ARG n 
1 85  LYS n 
1 86  LEU n 
1 87  ASP n 
1 88  THR n 
1 89  GLY n 
1 90  GLN n 
1 91  TYR n 
1 92  GLN n 
1 93  GLU n 
1 94  PRO n 
1 95  TRP n 
1 96  GLN n 
1 97  TYR n 
1 98  VAL n 
1 99  ASP n 
1 100 ASP n 
1 101 ILE n 
1 102 TRP n 
1 103 LEU n 
1 104 MET n 
1 105 PHE n 
1 106 ASN n 
1 107 ASN n 
1 108 ALA n 
1 109 TRP n 
1 110 LEU n 
1 111 TYR n 
1 112 ASN n 
1 113 ARG n 
1 114 LYS n 
1 115 THR n 
1 116 SER n 
1 117 ARG n 
1 118 VAL n 
1 119 TYR n 
1 120 LYS n 
1 121 TYR n 
1 122 CYS n 
1 123 SER n 
1 124 LYS n 
1 125 LEU n 
1 126 SER n 
1 127 GLU n 
1 128 VAL n 
1 129 PHE n 
1 130 GLU n 
1 131 GLN n 
1 132 GLU n 
1 133 ILE n 
1 134 ASP n 
1 135 PRO n 
1 136 VAL n 
1 137 MET n 
1 138 GLN n 
1 139 SER n 
1 140 LEU n 
1 141 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                   141 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'EP300, P300' 
_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 
A1EDM non-polymer         . 
;(6~{S})-1-(3-chloranyl-4-methoxy-phenyl)-6-[4-(3-methyl-1,2-benzoxazol-5-yl)-1-[(2~{S})-2-morpholin-4-ylpropyl]imidazol-2-yl]piperidin-2-one
;
? 'C30 H34 Cl N5 O4' 564.075 
ALA   'L-peptide linking' y ALANINE ? 'C3 H7 N O2'       89.093  
ARG   'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1'   175.209 
ASN   'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3'      132.118 
ASP   'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'       133.103 
CYS   'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S'     121.158 
GLN   'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3'     146.144 
GLU   'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'       147.129 
GLY   'peptide linking'   y GLYCINE ? 'C2 H5 N O2'       75.067  
HIS   'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1'   156.162 
HOH   non-polymer         . WATER ? 'H2 O'             18.015  
ILE   'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2'      131.173 
LEU   'L-peptide linking' y LEUCINE ? 'C6 H13 N O2'      131.173 
LYS   'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1'   147.195 
MET   'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S'    149.211 
PHE   'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2'      165.189 
PRO   'L-peptide linking' y PROLINE ? 'C5 H9 N O2'       115.130 
SER   'L-peptide linking' y SERINE ? 'C3 H7 N O3'       105.093 
THR   'L-peptide linking' y THREONINE ? 'C4 H9 N O3'       119.119 
TRP   'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2'    204.225 
TYR   'L-peptide linking' y TYROSINE ? 'C9 H11 N O3'      181.189 
VAL   'L-peptide linking' y VALINE ? 'C5 H11 N O2'      117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   MET 1   1021 ?    ?   ?   A . n 
A 1 2   LYS 2   1022 ?    ?   ?   A . n 
A 1 3   LYS 3   1023 ?    ?   ?   A . n 
A 1 4   GLY 4   1024 ?    ?   ?   A . n 
A 1 5   HIS 5   1025 ?    ?   ?   A . n 
A 1 6   HIS 6   1026 ?    ?   ?   A . n 
A 1 7   HIS 7   1027 ?    ?   ?   A . n 
A 1 8   HIS 8   1028 ?    ?   ?   A . n 
A 1 9   HIS 9   1029 ?    ?   ?   A . n 
A 1 10  HIS 10  1030 ?    ?   ?   A . n 
A 1 11  GLU 11  1031 ?    ?   ?   A . n 
A 1 12  ASN 12  1032 ?    ?   ?   A . n 
A 1 13  LEU 13  1033 ?    ?   ?   A . n 
A 1 14  TYR 14  1034 ?    ?   ?   A . n 
A 1 15  PHE 15  1035 ?    ?   ?   A . n 
A 1 16  GLN 16  1036 ?    ?   ?   A . n 
A 1 17  GLY 17  1037 ?    ?   ?   A . n 
A 1 18  GLY 18  1038 ?    ?   ?   A . n 
A 1 19  SER 19  1039 ?    ?   ?   A . n 
A 1 20  ALA 20  1040 ?    ?   ?   A . n 
A 1 21  PRO 21  1041 ?    ?   ?   A . n 
A 1 22  GLY 22  1042 ?    ?   ?   A . n 
A 1 23  GLN 23  1043 ?    ?   ?   A . n 
A 1 24  SER 24  1044 ?    ?   ?   A . n 
A 1 25  LYS 25  1045 1045 LYS LYS A . n 
A 1 26  LYS 26  1046 1046 LYS LYS A . n 
A 1 27  LYS 27  1047 1047 LYS LYS A . n 
A 1 28  ILE 28  1048 1048 ILE ILE A . n 
A 1 29  PHE 29  1049 1049 PHE PHE A . n 
A 1 30  LYS 30  1050 1050 LYS LYS A . n 
A 1 31  PRO 31  1051 1051 PRO PRO A . n 
A 1 32  GLU 32  1052 1052 GLU GLU A . n 
A 1 33  GLU 33  1053 1053 GLU GLU A . n 
A 1 34  LEU 34  1054 1054 LEU LEU A . n 
A 1 35  ARG 35  1055 1055 ARG ARG A . n 
A 1 36  GLN 36  1056 1056 GLN GLN A . n 
A 1 37  ALA 37  1057 1057 ALA ALA A . n 
A 1 38  LEU 38  1058 1058 LEU LEU A . n 
A 1 39  MET 39  1059 1059 MET MET A . n 
A 1 40  PRO 40  1060 1060 PRO PRO A . n 
A 1 41  THR 41  1061 1061 THR THR A . n 
A 1 42  LEU 42  1062 1062 LEU LEU A . n 
A 1 43  GLU 43  1063 1063 GLU GLU A . n 
A 1 44  ALA 44  1064 1064 ALA ALA A . n 
A 1 45  LEU 45  1065 1065 LEU LEU A . n 
A 1 46  TYR 46  1066 1066 TYR TYR A . n 
A 1 47  ARG 47  1067 1067 ARG ARG A . n 
A 1 48  GLN 48  1068 1068 GLN GLN A . n 
A 1 49  ASP 49  1069 1069 ASP ASP A . n 
A 1 50  PRO 50  1070 1070 PRO PRO A . n 
A 1 51  GLU 51  1071 1071 GLU GLU A . n 
A 1 52  SER 52  1072 1072 SER SER A . n 
A 1 53  LEU 53  1073 1073 LEU LEU A . n 
A 1 54  PRO 54  1074 1074 PRO PRO A . n 
A 1 55  PHE 55  1075 1075 PHE PHE A . n 
A 1 56  ARG 56  1076 1076 ARG ARG A . n 
A 1 57  GLN 57  1077 1077 GLN GLN A . n 
A 1 58  PRO 58  1078 1078 PRO PRO A . n 
A 1 59  VAL 59  1079 1079 VAL VAL A . n 
A 1 60  ASP 60  1080 1080 ASP ASP A . n 
A 1 61  PRO 61  1081 1081 PRO PRO A . n 
A 1 62  GLN 62  1082 1082 GLN GLN A . n 
A 1 63  LEU 63  1083 1083 LEU LEU A . n 
A 1 64  LEU 64  1084 1084 LEU LEU A . n 
A 1 65  GLY 65  1085 1085 GLY GLY A . n 
A 1 66  ILE 66  1086 1086 ILE ILE A . n 
A 1 67  PRO 67  1087 1087 PRO PRO A . n 
A 1 68  ASP 68  1088 1088 ASP ASP A . n 
A 1 69  TYR 69  1089 1089 TYR TYR A . n 
A 1 70  PHE 70  1090 1090 PHE PHE A . n 
A 1 71  ASP 71  1091 1091 ASP ASP A . n 
A 1 72  ILE 72  1092 1092 ILE ILE A . n 
A 1 73  VAL 73  1093 1093 VAL VAL A . n 
A 1 74  LYS 74  1094 1094 LYS LYS A . n 
A 1 75  SER 75  1095 1095 SER SER A . n 
A 1 76  PRO 76  1096 1096 PRO PRO A . n 
A 1 77  MET 77  1097 1097 MET MET A . n 
A 1 78  ASP 78  1098 1098 ASP ASP A . n 
A 1 79  LEU 79  1099 1099 LEU LEU A . n 
A 1 80  SER 80  1100 1100 SER SER A . n 
A 1 81  THR 81  1101 1101 THR THR A . n 
A 1 82  ILE 82  1102 1102 ILE ILE A . n 
A 1 83  LYS 83  1103 1103 LYS LYS A . n 
A 1 84  ARG 84  1104 1104 ARG ARG A . n 
A 1 85  LYS 85  1105 1105 LYS LYS A . n 
A 1 86  LEU 86  1106 1106 LEU LEU A . n 
A 1 87  ASP 87  1107 1107 ASP ASP A . n 
A 1 88  THR 88  1108 1108 THR THR A . n 
A 1 89  GLY 89  1109 1109 GLY GLY A . n 
A 1 90  GLN 90  1110 1110 GLN GLN A . n 
A 1 91  TYR 91  1111 1111 TYR TYR A . n 
A 1 92  GLN 92  1112 1112 GLN GLN A . n 
A 1 93  GLU 93  1113 1113 GLU GLU A . n 
A 1 94  PRO 94  1114 1114 PRO PRO A . n 
A 1 95  TRP 95  1115 1115 TRP TRP A . n 
A 1 96  GLN 96  1116 1116 GLN GLN A . n 
A 1 97  TYR 97  1117 1117 TYR TYR A . n 
A 1 98  VAL 98  1118 1118 VAL VAL A . n 
A 1 99  ASP 99  1119 1119 ASP ASP A . n 
A 1 100 ASP 100 1120 1120 ASP ASP A . n 
A 1 101 ILE 101 1121 1121 ILE ILE A . n 
A 1 102 TRP 102 1122 1122 TRP TRP A . n 
A 1 103 LEU 103 1123 1123 LEU LEU A . n 
A 1 104 MET 104 1124 1124 MET MET A . n 
A 1 105 PHE 105 1125 1125 PHE PHE A . n 
A 1 106 ASN 106 1126 1126 ASN ASN A . n 
A 1 107 ASN 107 1127 1127 ASN ASN A . n 
A 1 108 ALA 108 1128 1128 ALA ALA A . n 
A 1 109 TRP 109 1129 1129 TRP TRP A . n 
A 1 110 LEU 110 1130 1130 LEU LEU A . n 
A 1 111 TYR 111 1131 1131 TYR TYR A . n 
A 1 112 ASN 112 1132 1132 ASN ASN A . n 
A 1 113 ARG 113 1133 1133 ARG ARG A . n 
A 1 114 LYS 114 1134 1134 LYS LYS A . n 
A 1 115 THR 115 1135 1135 THR THR A . n 
A 1 116 SER 116 1136 1136 SER SER A . n 
A 1 117 ARG 117 1137 1137 ARG ARG A . n 
A 1 118 VAL 118 1138 1138 VAL VAL A . n 
A 1 119 TYR 119 1139 1139 TYR TYR A . n 
A 1 120 LYS 120 1140 1140 LYS LYS A . n 
A 1 121 TYR 121 1141 1141 TYR TYR A . n 
A 1 122 CYS 122 1142 1142 CYS CYS A . n 
A 1 123 SER 123 1143 1143 SER SER A . n 
A 1 124 LYS 124 1144 1144 LYS LYS A . n 
A 1 125 LEU 125 1145 1145 LEU LEU A . n 
A 1 126 SER 126 1146 1146 SER SER A . n 
A 1 127 GLU 127 1147 1147 GLU GLU A . n 
A 1 128 VAL 128 1148 1148 VAL VAL A . n 
A 1 129 PHE 129 1149 1149 PHE PHE A . n 
A 1 130 GLU 130 1150 1150 GLU GLU A . n 
A 1 131 GLN 131 1151 1151 GLN GLN A . n 
A 1 132 GLU 132 1152 1152 GLU GLU A . n 
A 1 133 ILE 133 1153 1153 ILE ILE A . n 
A 1 134 ASP 134 1154 1154 ASP ASP A . n 
A 1 135 PRO 135 1155 1155 PRO PRO A . n 
A 1 136 VAL 136 1156 1156 VAL VAL A . n 
A 1 137 MET 137 1157 1157 MET MET A . n 
A 1 138 GLN 138 1158 1158 GLN GLN A . n 
A 1 139 SER 139 1159 1159 SER SER A . n 
A 1 140 LEU 140 1160 1160 LEU LEU A . n 
A 1 141 GLY 141 1161 1161 GLY GLY A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1EDM 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1EDM 
_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 A1EDM 1  1201 1201 A1EDM DRG A . 
C 3 HOH   1  1301 30   HOH   HOH A . 
C 3 HOH   2  1302 11   HOH   HOH A . 
C 3 HOH   3  1303 1    HOH   HOH A . 
C 3 HOH   4  1304 31   HOH   HOH A . 
C 3 HOH   5  1305 35   HOH   HOH A . 
C 3 HOH   6  1306 13   HOH   HOH A . 
C 3 HOH   7  1307 25   HOH   HOH A . 
C 3 HOH   8  1308 8    HOH   HOH A . 
C 3 HOH   9  1309 21   HOH   HOH A . 
C 3 HOH   10 1310 10   HOH   HOH A . 
C 3 HOH   11 1311 6    HOH   HOH A . 
C 3 HOH   12 1312 41   HOH   HOH A . 
C 3 HOH   13 1313 28   HOH   HOH A . 
C 3 HOH   14 1314 29   HOH   HOH A . 
C 3 HOH   15 1315 7    HOH   HOH A . 
C 3 HOH   16 1316 44   HOH   HOH A . 
C 3 HOH   17 1317 12   HOH   HOH A . 
C 3 HOH   18 1318 15   HOH   HOH A . 
C 3 HOH   19 1319 3    HOH   HOH A . 
C 3 HOH   20 1320 32   HOH   HOH A . 
C 3 HOH   21 1321 2    HOH   HOH A . 
C 3 HOH   22 1322 4    HOH   HOH A . 
C 3 HOH   23 1323 14   HOH   HOH A . 
C 3 HOH   24 1324 24   HOH   HOH A . 
C 3 HOH   25 1325 33   HOH   HOH A . 
C 3 HOH   26 1326 38   HOH   HOH A . 
C 3 HOH   27 1327 9    HOH   HOH A . 
C 3 HOH   28 1328 26   HOH   HOH A . 
C 3 HOH   29 1329 43   HOH   HOH A . 
C 3 HOH   30 1330 34   HOH   HOH A . 
C 3 HOH   31 1331 5    HOH   HOH A . 
C 3 HOH   32 1332 23   HOH   HOH A . 
C 3 HOH   33 1333 27   HOH   HOH A . 
C 3 HOH   34 1334 39   HOH   HOH A . 
C 3 HOH   35 1335 42   HOH   HOH A . 
C 3 HOH   36 1336 40   HOH   HOH A . 
C 3 HOH   37 1337 18   HOH   HOH A . 
C 3 HOH   38 1338 22   HOH   HOH A . 
C 3 HOH   39 1339 37   HOH   HOH A . 
C 3 HOH   40 1340 17   HOH   HOH A . 
C 3 HOH   41 1341 45   HOH   HOH A . 
C 3 HOH   42 1342 20   HOH   HOH A . 
C 3 HOH   43 1343 19   HOH   HOH A . 
C 3 HOH   44 1344 16   HOH   HOH A . 
C 3 HOH   45 1345 36   HOH   HOH A . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC  ? ? ? 5.8.0258 1 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .        2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS     ? ? ? .        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                     9JUT 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     48.369 
_cell.length_a_esd                 ? 
_cell.length_b                     55.983 
_cell.length_b_esd                 ? 
_cell.length_c                     114.135 
_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                         9JUT 
_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                   9JUT 
_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             2.21 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          44.26 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              7.0 
_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    '60% v/v Tacsimate pH 7.0, 0.1 M BIS-TRIS propane pH 7.0' 
_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         2023-06-21 
_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   0.97918 
_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 BL02U1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.97918 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   BL02U1 
_diffrn_source.pdbx_synchrotron_site       SSRF 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9JUT 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.28 
_reflns.d_resolution_low                               45.47 
_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                                     38973 
_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                           99.7 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                9.7 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          19.9 
_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                                0.062 
_reflns.pdbx_Rpim_I_all                                0.019 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       379045 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.059 
_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                                    1.28 
_reflns_shell.d_res_low                                     1.30 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           8067 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1794 
_reflns_shell.percent_possible_obs                          95.5 
_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                               4.5 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     3.2 
_reflns_shell.pdbx_Rrim_I_all                               0.467 
_reflns_shell.pdbx_Rpim_I_all                               0.214 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.878 
_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                                  0.412 
_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]                            -1.67 
_refine.aniso_B[1][2]                            -0.00 
_refine.aniso_B[1][3]                            -0.00 
_refine.aniso_B[2][2]                            3.14 
_refine.aniso_B[2][3]                            -0.00 
_refine.aniso_B[3][3]                            -1.47 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               23.151 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.945 
_refine.correlation_coeff_Fo_to_Fc_free          0.921 
_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                                 9JUT 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            2.13 
_refine.ls_d_res_low                             29.92 
_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                     8518 
_refine.ls_number_reflns_R_free                  488 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.91 
_refine.ls_percent_reflns_R_free                 5.4 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.18532 
_refine.ls_R_factor_R_free                       0.23414 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.18237 
_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                      7UGI 
_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                       0.202 
_refine.pdbx_overall_ESU_R_Free                  0.181 
_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                             4.629 
_refine.overall_SU_ML                            0.123 
_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                       2.13 
_refine_hist.d_res_low                        29.92 
_refine_hist.number_atoms_solvent             45 
_refine_hist.number_atoms_total               1071 
_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        986 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         40 
_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' ? 0.010  0.013  1075 ? r_bond_refined_d             ? ? 
'X-RAY DIFFRACTION' ? 0.003  0.018  985  ? r_bond_other_d               ? ? 
'X-RAY DIFFRACTION' ? 1.674  1.721  1464 ? r_angle_refined_deg          ? ? 
'X-RAY DIFFRACTION' ? 1.566  1.646  2302 ? r_angle_other_deg            ? ? 
'X-RAY DIFFRACTION' ? 6.152  5.000  118  ? r_dihedral_angle_1_deg       ? ? 
'X-RAY DIFFRACTION' ? 37.305 22.982 57   ? r_dihedral_angle_2_deg       ? ? 
'X-RAY DIFFRACTION' ? 16.888 15.000 188  ? r_dihedral_angle_3_deg       ? ? 
'X-RAY DIFFRACTION' ? 15.948 15.000 6    ? r_dihedral_angle_4_deg       ? ? 
'X-RAY DIFFRACTION' ? 0.081  0.200  127  ? r_chiral_restr               ? ? 
'X-RAY DIFFRACTION' ? 0.009  0.020  1161 ? r_gen_planes_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  222  ? 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' ? 1.962  2.239  472  ? r_mcbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 1.901  2.218  470  ? r_mcbond_other               ? ? 
'X-RAY DIFFRACTION' ? 2.923  3.335  590  ? r_mcangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 2.907  3.333  590  ? r_mcangle_other              ? ? 
'X-RAY DIFFRACTION' ? 2.933  2.550  603  ? r_scbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 2.930  2.550  604  ? r_scbond_other               ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_scangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 4.686  3.683  875  ? r_scangle_other              ? ? 
'X-RAY DIFFRACTION' ? 6.008  25.083 1287 ? r_long_range_B_refined       ? ? 
'X-RAY DIFFRACTION' ? 5.987  25.004 1280 ? 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                       2.130 
_refine_ls_shell.d_res_low                        2.185 
_refine_ls_shell.number_reflns_all                ? 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.number_reflns_R_free             36 
_refine_ls_shell.number_reflns_R_work             614 
_refine_ls_shell.percent_reflns_obs               99.69 
_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                  0.217 
_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                  0.339 
# 
_struct.entry_id                     9JUT 
_struct.title                        'X-ray crystal structure of Y16524 in EP300' 
_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        9JUT 
_struct_keywords.text            'EP300, 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 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    EP300_HUMAN 
_struct_ref.pdbx_db_accession          Q09472 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;APGQSKKKIFKPEELRQALMPTLEALYRQDPESLPFRQPVDPQLLGIPDYFDIVKSPMDLSTIKRKLDTGQYQEPWQYVD
DIWLMFNNAWLYNRKTSRVYKYCSKLSEVFEQEIDPVMQSLG
;
_struct_ref.pdbx_align_begin           1040 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9JUT 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 20 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 141 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             Q09472 
_struct_ref_seq.db_align_beg                  1040 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  1161 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       1040 
_struct_ref_seq.pdbx_auth_seq_align_end       1161 
# 
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 9JUT MET A 1  ? UNP Q09472 ? ? 'initiating methionine' 1021 1  
1 9JUT LYS A 2  ? UNP Q09472 ? ? 'expression tag'        1022 2  
1 9JUT LYS A 3  ? UNP Q09472 ? ? 'expression tag'        1023 3  
1 9JUT GLY A 4  ? UNP Q09472 ? ? 'expression tag'        1024 4  
1 9JUT HIS A 5  ? UNP Q09472 ? ? 'expression tag'        1025 5  
1 9JUT HIS A 6  ? UNP Q09472 ? ? 'expression tag'        1026 6  
1 9JUT HIS A 7  ? UNP Q09472 ? ? 'expression tag'        1027 7  
1 9JUT HIS A 8  ? UNP Q09472 ? ? 'expression tag'        1028 8  
1 9JUT HIS A 9  ? UNP Q09472 ? ? 'expression tag'        1029 9  
1 9JUT HIS A 10 ? UNP Q09472 ? ? 'expression tag'        1030 10 
1 9JUT GLU A 11 ? UNP Q09472 ? ? 'expression tag'        1031 11 
1 9JUT ASN A 12 ? UNP Q09472 ? ? 'expression tag'        1032 12 
1 9JUT LEU A 13 ? UNP Q09472 ? ? 'expression tag'        1033 13 
1 9JUT TYR A 14 ? UNP Q09472 ? ? 'expression tag'        1034 14 
1 9JUT PHE A 15 ? UNP Q09472 ? ? 'expression tag'        1035 15 
1 9JUT GLN A 16 ? UNP Q09472 ? ? 'expression tag'        1036 16 
1 9JUT GLY A 17 ? UNP Q09472 ? ? 'expression tag'        1037 17 
1 9JUT GLY A 18 ? UNP Q09472 ? ? 'expression tag'        1038 18 
1 9JUT SER A 19 ? UNP Q09472 ? ? 'expression tag'        1039 19 
# 
_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 
# 
_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 30  ? ARG A 47  ? LYS A 1050 ARG A 1067 1 ? 18 
HELX_P HELX_P2 AA2 SER A 52  ? ARG A 56  ? SER A 1072 ARG A 1076 5 ? 5  
HELX_P HELX_P3 AA3 ASP A 60  ? GLY A 65  ? ASP A 1080 GLY A 1085 1 ? 6  
HELX_P HELX_P4 AA4 ASP A 68  ? VAL A 73  ? ASP A 1088 VAL A 1093 1 ? 6  
HELX_P HELX_P5 AA5 ASP A 78  ? THR A 88  ? ASP A 1098 THR A 1108 1 ? 11 
HELX_P HELX_P6 AA6 GLU A 93  ? ASN A 112 ? GLU A 1113 ASN A 1132 1 ? 20 
HELX_P HELX_P7 AA7 SER A 116 ? GLY A 141 ? SER A 1136 GLY A 1161 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           49 
_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            1069 
_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    50 
_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     1070 
_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       9.71 
# 
_pdbx_entry_details.entry_id                   9JUT 
_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 
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    A 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     1345 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   C 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
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 1021 ? A MET 1  
2  1 Y 1 A LYS 1022 ? A LYS 2  
3  1 Y 1 A LYS 1023 ? A LYS 3  
4  1 Y 1 A GLY 1024 ? A GLY 4  
5  1 Y 1 A HIS 1025 ? A HIS 5  
6  1 Y 1 A HIS 1026 ? A HIS 6  
7  1 Y 1 A HIS 1027 ? A HIS 7  
8  1 Y 1 A HIS 1028 ? A HIS 8  
9  1 Y 1 A HIS 1029 ? A HIS 9  
10 1 Y 1 A HIS 1030 ? A HIS 10 
11 1 Y 1 A GLU 1031 ? A GLU 11 
12 1 Y 1 A ASN 1032 ? A ASN 12 
13 1 Y 1 A LEU 1033 ? A LEU 13 
14 1 Y 1 A TYR 1034 ? A TYR 14 
15 1 Y 1 A PHE 1035 ? A PHE 15 
16 1 Y 1 A GLN 1036 ? A GLN 16 
17 1 Y 1 A GLY 1037 ? A GLY 17 
18 1 Y 1 A GLY 1038 ? A GLY 18 
19 1 Y 1 A SER 1039 ? A SER 19 
20 1 Y 1 A ALA 1040 ? A ALA 20 
21 1 Y 1 A PRO 1041 ? A PRO 21 
22 1 Y 1 A GLY 1042 ? A GLY 22 
23 1 Y 1 A GLN 1043 ? A GLN 23 
24 1 Y 1 A SER 1044 ? A SER 24 
# 
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 
A1EDM CAT  C  N N 1   
A1EDM CAU  C  N N 2   
A1EDM OAV  O  N N 3   
A1EDM CAW  C  N N 4   
A1EDM CAX  C  N N 5   
A1EDM NAS  N  N N 6   
A1EDM CAQ  C  N S 7   
A1EDM CAR  C  N N 8   
A1EDM CAP  C  N N 9   
A1EDM NAM  N  Y N 10  
A1EDM CAL  C  Y N 11  
A1EDM CAK  C  Y N 12  
A1EDM CAG  C  Y N 13  
A1EDM CAF  C  Y N 14  
A1EDM CAA  C  Y N 15  
A1EDM CAE  C  Y N 16  
A1EDM CAJ  C  N N 17  
A1EDM NAD  N  Y N 18  
A1EDM OAC  O  Y N 19  
A1EDM CAB  C  Y N 20  
A1EDM CAI  C  Y N 21  
A1EDM CAH  C  Y N 22  
A1EDM NAO  N  Y N 23  
A1EDM CAN  C  Y N 24  
A1EDM CAY  C  N S 25  
A1EDM CAZ  C  N N 26  
A1EDM CBA  C  N N 27  
A1EDM CBB  C  N N 28  
A1EDM CBC  C  N N 29  
A1EDM OBN  O  N N 30  
A1EDM NBD  N  N N 31  
A1EDM CBE  C  Y N 32  
A1EDM CBJ  C  Y N 33  
A1EDM CBI  C  Y N 34  
A1EDM CLBM CL N N 35  
A1EDM CBH  C  Y N 36  
A1EDM OBK  O  N N 37  
A1EDM CBL  C  N N 38  
A1EDM CBG  C  Y N 39  
A1EDM CBF  C  Y N 40  
A1EDM H1   H  N N 41  
A1EDM H2   H  N N 42  
A1EDM H3   H  N N 43  
A1EDM H4   H  N N 44  
A1EDM H5   H  N N 45  
A1EDM H6   H  N N 46  
A1EDM H7   H  N N 47  
A1EDM H8   H  N N 48  
A1EDM H10  H  N N 49  
A1EDM H11  H  N N 50  
A1EDM H12  H  N N 51  
A1EDM H13  H  N N 52  
A1EDM H14  H  N N 53  
A1EDM H15  H  N N 54  
A1EDM H16  H  N N 55  
A1EDM H17  H  N N 56  
A1EDM H18  H  N N 57  
A1EDM H19  H  N N 58  
A1EDM H20  H  N N 59  
A1EDM H21  H  N N 60  
A1EDM H22  H  N N 61  
A1EDM H23  H  N N 62  
A1EDM H24  H  N N 63  
A1EDM H25  H  N N 64  
A1EDM H26  H  N N 65  
A1EDM H27  H  N N 66  
A1EDM H28  H  N N 67  
A1EDM H29  H  N N 68  
A1EDM H30  H  N N 69  
A1EDM H31  H  N N 70  
A1EDM H32  H  N N 71  
A1EDM H33  H  N N 72  
A1EDM H34  H  N N 73  
A1EDM H35  H  N N 74  
ALA   N    N  N N 75  
ALA   CA   C  N S 76  
ALA   C    C  N N 77  
ALA   O    O  N N 78  
ALA   CB   C  N N 79  
ALA   OXT  O  N N 80  
ALA   H    H  N N 81  
ALA   H2   H  N N 82  
ALA   HA   H  N N 83  
ALA   HB1  H  N N 84  
ALA   HB2  H  N N 85  
ALA   HB3  H  N N 86  
ALA   HXT  H  N N 87  
ARG   N    N  N N 88  
ARG   CA   C  N S 89  
ARG   C    C  N N 90  
ARG   O    O  N N 91  
ARG   CB   C  N N 92  
ARG   CG   C  N N 93  
ARG   CD   C  N N 94  
ARG   NE   N  N N 95  
ARG   CZ   C  N N 96  
ARG   NH1  N  N N 97  
ARG   NH2  N  N N 98  
ARG   OXT  O  N N 99  
ARG   H    H  N N 100 
ARG   H2   H  N N 101 
ARG   HA   H  N N 102 
ARG   HB2  H  N N 103 
ARG   HB3  H  N N 104 
ARG   HG2  H  N N 105 
ARG   HG3  H  N N 106 
ARG   HD2  H  N N 107 
ARG   HD3  H  N N 108 
ARG   HE   H  N N 109 
ARG   HH11 H  N N 110 
ARG   HH12 H  N N 111 
ARG   HH21 H  N N 112 
ARG   HH22 H  N N 113 
ARG   HXT  H  N N 114 
ASN   N    N  N N 115 
ASN   CA   C  N S 116 
ASN   C    C  N N 117 
ASN   O    O  N N 118 
ASN   CB   C  N N 119 
ASN   CG   C  N N 120 
ASN   OD1  O  N N 121 
ASN   ND2  N  N N 122 
ASN   OXT  O  N N 123 
ASN   H    H  N N 124 
ASN   H2   H  N N 125 
ASN   HA   H  N N 126 
ASN   HB2  H  N N 127 
ASN   HB3  H  N N 128 
ASN   HD21 H  N N 129 
ASN   HD22 H  N N 130 
ASN   HXT  H  N N 131 
ASP   N    N  N N 132 
ASP   CA   C  N S 133 
ASP   C    C  N N 134 
ASP   O    O  N N 135 
ASP   CB   C  N N 136 
ASP   CG   C  N N 137 
ASP   OD1  O  N N 138 
ASP   OD2  O  N N 139 
ASP   OXT  O  N N 140 
ASP   H    H  N N 141 
ASP   H2   H  N N 142 
ASP   HA   H  N N 143 
ASP   HB2  H  N N 144 
ASP   HB3  H  N N 145 
ASP   HD2  H  N N 146 
ASP   HXT  H  N N 147 
CYS   N    N  N N 148 
CYS   CA   C  N R 149 
CYS   C    C  N N 150 
CYS   O    O  N N 151 
CYS   CB   C  N N 152 
CYS   SG   S  N N 153 
CYS   OXT  O  N N 154 
CYS   H    H  N N 155 
CYS   H2   H  N N 156 
CYS   HA   H  N N 157 
CYS   HB2  H  N N 158 
CYS   HB3  H  N N 159 
CYS   HG   H  N N 160 
CYS   HXT  H  N N 161 
GLN   N    N  N N 162 
GLN   CA   C  N S 163 
GLN   C    C  N N 164 
GLN   O    O  N N 165 
GLN   CB   C  N N 166 
GLN   CG   C  N N 167 
GLN   CD   C  N N 168 
GLN   OE1  O  N N 169 
GLN   NE2  N  N N 170 
GLN   OXT  O  N N 171 
GLN   H    H  N N 172 
GLN   H2   H  N N 173 
GLN   HA   H  N N 174 
GLN   HB2  H  N N 175 
GLN   HB3  H  N N 176 
GLN   HG2  H  N N 177 
GLN   HG3  H  N N 178 
GLN   HE21 H  N N 179 
GLN   HE22 H  N N 180 
GLN   HXT  H  N N 181 
GLU   N    N  N N 182 
GLU   CA   C  N S 183 
GLU   C    C  N N 184 
GLU   O    O  N N 185 
GLU   CB   C  N N 186 
GLU   CG   C  N N 187 
GLU   CD   C  N N 188 
GLU   OE1  O  N N 189 
GLU   OE2  O  N N 190 
GLU   OXT  O  N N 191 
GLU   H    H  N N 192 
GLU   H2   H  N N 193 
GLU   HA   H  N N 194 
GLU   HB2  H  N N 195 
GLU   HB3  H  N N 196 
GLU   HG2  H  N N 197 
GLU   HG3  H  N N 198 
GLU   HE2  H  N N 199 
GLU   HXT  H  N N 200 
GLY   N    N  N N 201 
GLY   CA   C  N N 202 
GLY   C    C  N N 203 
GLY   O    O  N N 204 
GLY   OXT  O  N N 205 
GLY   H    H  N N 206 
GLY   H2   H  N N 207 
GLY   HA2  H  N N 208 
GLY   HA3  H  N N 209 
GLY   HXT  H  N N 210 
HIS   N    N  N N 211 
HIS   CA   C  N S 212 
HIS   C    C  N N 213 
HIS   O    O  N N 214 
HIS   CB   C  N N 215 
HIS   CG   C  Y N 216 
HIS   ND1  N  Y N 217 
HIS   CD2  C  Y N 218 
HIS   CE1  C  Y N 219 
HIS   NE2  N  Y N 220 
HIS   OXT  O  N N 221 
HIS   H    H  N N 222 
HIS   H2   H  N N 223 
HIS   HA   H  N N 224 
HIS   HB2  H  N N 225 
HIS   HB3  H  N N 226 
HIS   HD1  H  N N 227 
HIS   HD2  H  N N 228 
HIS   HE1  H  N N 229 
HIS   HE2  H  N N 230 
HIS   HXT  H  N N 231 
HOH   O    O  N N 232 
HOH   H1   H  N N 233 
HOH   H2   H  N N 234 
ILE   N    N  N N 235 
ILE   CA   C  N S 236 
ILE   C    C  N N 237 
ILE   O    O  N N 238 
ILE   CB   C  N S 239 
ILE   CG1  C  N N 240 
ILE   CG2  C  N N 241 
ILE   CD1  C  N N 242 
ILE   OXT  O  N N 243 
ILE   H    H  N N 244 
ILE   H2   H  N N 245 
ILE   HA   H  N N 246 
ILE   HB   H  N N 247 
ILE   HG12 H  N N 248 
ILE   HG13 H  N N 249 
ILE   HG21 H  N N 250 
ILE   HG22 H  N N 251 
ILE   HG23 H  N N 252 
ILE   HD11 H  N N 253 
ILE   HD12 H  N N 254 
ILE   HD13 H  N N 255 
ILE   HXT  H  N N 256 
LEU   N    N  N N 257 
LEU   CA   C  N S 258 
LEU   C    C  N N 259 
LEU   O    O  N N 260 
LEU   CB   C  N N 261 
LEU   CG   C  N N 262 
LEU   CD1  C  N N 263 
LEU   CD2  C  N N 264 
LEU   OXT  O  N N 265 
LEU   H    H  N N 266 
LEU   H2   H  N N 267 
LEU   HA   H  N N 268 
LEU   HB2  H  N N 269 
LEU   HB3  H  N N 270 
LEU   HG   H  N N 271 
LEU   HD11 H  N N 272 
LEU   HD12 H  N N 273 
LEU   HD13 H  N N 274 
LEU   HD21 H  N N 275 
LEU   HD22 H  N N 276 
LEU   HD23 H  N N 277 
LEU   HXT  H  N N 278 
LYS   N    N  N N 279 
LYS   CA   C  N S 280 
LYS   C    C  N N 281 
LYS   O    O  N N 282 
LYS   CB   C  N N 283 
LYS   CG   C  N N 284 
LYS   CD   C  N N 285 
LYS   CE   C  N N 286 
LYS   NZ   N  N N 287 
LYS   OXT  O  N N 288 
LYS   H    H  N N 289 
LYS   H2   H  N N 290 
LYS   HA   H  N N 291 
LYS   HB2  H  N N 292 
LYS   HB3  H  N N 293 
LYS   HG2  H  N N 294 
LYS   HG3  H  N N 295 
LYS   HD2  H  N N 296 
LYS   HD3  H  N N 297 
LYS   HE2  H  N N 298 
LYS   HE3  H  N N 299 
LYS   HZ1  H  N N 300 
LYS   HZ2  H  N N 301 
LYS   HZ3  H  N N 302 
LYS   HXT  H  N N 303 
MET   N    N  N N 304 
MET   CA   C  N S 305 
MET   C    C  N N 306 
MET   O    O  N N 307 
MET   CB   C  N N 308 
MET   CG   C  N N 309 
MET   SD   S  N N 310 
MET   CE   C  N N 311 
MET   OXT  O  N N 312 
MET   H    H  N N 313 
MET   H2   H  N N 314 
MET   HA   H  N N 315 
MET   HB2  H  N N 316 
MET   HB3  H  N N 317 
MET   HG2  H  N N 318 
MET   HG3  H  N N 319 
MET   HE1  H  N N 320 
MET   HE2  H  N N 321 
MET   HE3  H  N N 322 
MET   HXT  H  N N 323 
PHE   N    N  N N 324 
PHE   CA   C  N S 325 
PHE   C    C  N N 326 
PHE   O    O  N N 327 
PHE   CB   C  N N 328 
PHE   CG   C  Y N 329 
PHE   CD1  C  Y N 330 
PHE   CD2  C  Y N 331 
PHE   CE1  C  Y N 332 
PHE   CE2  C  Y N 333 
PHE   CZ   C  Y N 334 
PHE   OXT  O  N N 335 
PHE   H    H  N N 336 
PHE   H2   H  N N 337 
PHE   HA   H  N N 338 
PHE   HB2  H  N N 339 
PHE   HB3  H  N N 340 
PHE   HD1  H  N N 341 
PHE   HD2  H  N N 342 
PHE   HE1  H  N N 343 
PHE   HE2  H  N N 344 
PHE   HZ   H  N N 345 
PHE   HXT  H  N N 346 
PRO   N    N  N N 347 
PRO   CA   C  N S 348 
PRO   C    C  N N 349 
PRO   O    O  N N 350 
PRO   CB   C  N N 351 
PRO   CG   C  N N 352 
PRO   CD   C  N N 353 
PRO   OXT  O  N N 354 
PRO   H    H  N N 355 
PRO   HA   H  N N 356 
PRO   HB2  H  N N 357 
PRO   HB3  H  N N 358 
PRO   HG2  H  N N 359 
PRO   HG3  H  N N 360 
PRO   HD2  H  N N 361 
PRO   HD3  H  N N 362 
PRO   HXT  H  N N 363 
SER   N    N  N N 364 
SER   CA   C  N S 365 
SER   C    C  N N 366 
SER   O    O  N N 367 
SER   CB   C  N N 368 
SER   OG   O  N N 369 
SER   OXT  O  N N 370 
SER   H    H  N N 371 
SER   H2   H  N N 372 
SER   HA   H  N N 373 
SER   HB2  H  N N 374 
SER   HB3  H  N N 375 
SER   HG   H  N N 376 
SER   HXT  H  N N 377 
THR   N    N  N N 378 
THR   CA   C  N S 379 
THR   C    C  N N 380 
THR   O    O  N N 381 
THR   CB   C  N R 382 
THR   OG1  O  N N 383 
THR   CG2  C  N N 384 
THR   OXT  O  N N 385 
THR   H    H  N N 386 
THR   H2   H  N N 387 
THR   HA   H  N N 388 
THR   HB   H  N N 389 
THR   HG1  H  N N 390 
THR   HG21 H  N N 391 
THR   HG22 H  N N 392 
THR   HG23 H  N N 393 
THR   HXT  H  N N 394 
TRP   N    N  N N 395 
TRP   CA   C  N S 396 
TRP   C    C  N N 397 
TRP   O    O  N N 398 
TRP   CB   C  N N 399 
TRP   CG   C  Y N 400 
TRP   CD1  C  Y N 401 
TRP   CD2  C  Y N 402 
TRP   NE1  N  Y N 403 
TRP   CE2  C  Y N 404 
TRP   CE3  C  Y N 405 
TRP   CZ2  C  Y N 406 
TRP   CZ3  C  Y N 407 
TRP   CH2  C  Y N 408 
TRP   OXT  O  N N 409 
TRP   H    H  N N 410 
TRP   H2   H  N N 411 
TRP   HA   H  N N 412 
TRP   HB2  H  N N 413 
TRP   HB3  H  N N 414 
TRP   HD1  H  N N 415 
TRP   HE1  H  N N 416 
TRP   HE3  H  N N 417 
TRP   HZ2  H  N N 418 
TRP   HZ3  H  N N 419 
TRP   HH2  H  N N 420 
TRP   HXT  H  N N 421 
TYR   N    N  N N 422 
TYR   CA   C  N S 423 
TYR   C    C  N N 424 
TYR   O    O  N N 425 
TYR   CB   C  N N 426 
TYR   CG   C  Y N 427 
TYR   CD1  C  Y N 428 
TYR   CD2  C  Y N 429 
TYR   CE1  C  Y N 430 
TYR   CE2  C  Y N 431 
TYR   CZ   C  Y N 432 
TYR   OH   O  N N 433 
TYR   OXT  O  N N 434 
TYR   H    H  N N 435 
TYR   H2   H  N N 436 
TYR   HA   H  N N 437 
TYR   HB2  H  N N 438 
TYR   HB3  H  N N 439 
TYR   HD1  H  N N 440 
TYR   HD2  H  N N 441 
TYR   HE1  H  N N 442 
TYR   HE2  H  N N 443 
TYR   HH   H  N N 444 
TYR   HXT  H  N N 445 
VAL   N    N  N N 446 
VAL   CA   C  N S 447 
VAL   C    C  N N 448 
VAL   O    O  N N 449 
VAL   CB   C  N N 450 
VAL   CG1  C  N N 451 
VAL   CG2  C  N N 452 
VAL   OXT  O  N N 453 
VAL   H    H  N N 454 
VAL   H2   H  N N 455 
VAL   HA   H  N N 456 
VAL   HB   H  N N 457 
VAL   HG11 H  N N 458 
VAL   HG12 H  N N 459 
VAL   HG13 H  N N 460 
VAL   HG21 H  N N 461 
VAL   HG22 H  N N 462 
VAL   HG23 H  N N 463 
VAL   HXT  H  N N 464 
# 
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 
A1EDM CAU OAV  sing N N 1   
A1EDM CAU CAT  sing N N 2   
A1EDM OAV CAW  sing N N 3   
A1EDM CBG CBF  doub Y N 4   
A1EDM CBG CBH  sing Y N 5   
A1EDM CBF CBE  sing Y N 6   
A1EDM CAT NAS  sing N N 7   
A1EDM CBL OBK  sing N N 8   
A1EDM OBN CBC  doub N N 9   
A1EDM CBB CBC  sing N N 10  
A1EDM CBB CBA  sing N N 11  
A1EDM CBC NBD  sing N N 12  
A1EDM NBD CBE  sing N N 13  
A1EDM NBD CAY  sing N N 14  
A1EDM CBE CBJ  doub Y N 15  
A1EDM NAS CAQ  sing N N 16  
A1EDM NAS CAX  sing N N 17  
A1EDM CBH OBK  sing N N 18  
A1EDM CBH CBI  doub Y N 19  
A1EDM CAZ CAY  sing N N 20  
A1EDM CAZ CBA  sing N N 21  
A1EDM CAW CAX  sing N N 22  
A1EDM CAY CAN  sing N N 23  
A1EDM CAQ CAP  sing N N 24  
A1EDM CAQ CAR  sing N N 25  
A1EDM CBI CBJ  sing Y N 26  
A1EDM CBI CLBM sing N N 27  
A1EDM CAP NAM  sing N N 28  
A1EDM CAN NAM  sing Y N 29  
A1EDM CAN NAO  doub Y N 30  
A1EDM NAM CAL  sing Y N 31  
A1EDM NAO CAK  sing Y N 32  
A1EDM CAL CAK  doub Y N 33  
A1EDM CAK CAG  sing N N 34  
A1EDM CAG CAH  doub Y N 35  
A1EDM CAG CAF  sing Y N 36  
A1EDM CAH CAI  sing Y N 37  
A1EDM CAF CAA  doub Y N 38  
A1EDM CAI CAB  doub Y N 39  
A1EDM CAA CAB  sing Y N 40  
A1EDM CAA CAE  sing Y N 41  
A1EDM CAB OAC  sing Y N 42  
A1EDM CAE CAJ  sing N N 43  
A1EDM CAE NAD  doub Y N 44  
A1EDM OAC NAD  sing Y N 45  
A1EDM CAT H1   sing N N 46  
A1EDM CAT H2   sing N N 47  
A1EDM CAU H3   sing N N 48  
A1EDM CAU H4   sing N N 49  
A1EDM CAW H5   sing N N 50  
A1EDM CAW H6   sing N N 51  
A1EDM CAX H7   sing N N 52  
A1EDM CAX H8   sing N N 53  
A1EDM CAQ H10  sing N N 54  
A1EDM CAR H11  sing N N 55  
A1EDM CAR H12  sing N N 56  
A1EDM CAR H13  sing N N 57  
A1EDM CAP H14  sing N N 58  
A1EDM CAP H15  sing N N 59  
A1EDM CAL H16  sing N N 60  
A1EDM CAF H17  sing N N 61  
A1EDM CAJ H18  sing N N 62  
A1EDM CAJ H19  sing N N 63  
A1EDM CAJ H20  sing N N 64  
A1EDM CAI H21  sing N N 65  
A1EDM CAH H22  sing N N 66  
A1EDM CAY H23  sing N N 67  
A1EDM CAZ H24  sing N N 68  
A1EDM CAZ H25  sing N N 69  
A1EDM CBA H26  sing N N 70  
A1EDM CBA H27  sing N N 71  
A1EDM CBB H28  sing N N 72  
A1EDM CBB H29  sing N N 73  
A1EDM CBJ H30  sing N N 74  
A1EDM CBL H31  sing N N 75  
A1EDM CBL H32  sing N N 76  
A1EDM CBL H33  sing N N 77  
A1EDM CBG H34  sing N N 78  
A1EDM CBF H35  sing N N 79  
ALA   N   CA   sing N N 80  
ALA   N   H    sing N N 81  
ALA   N   H2   sing N N 82  
ALA   CA  C    sing N N 83  
ALA   CA  CB   sing N N 84  
ALA   CA  HA   sing N N 85  
ALA   C   O    doub N N 86  
ALA   C   OXT  sing N N 87  
ALA   CB  HB1  sing N N 88  
ALA   CB  HB2  sing N N 89  
ALA   CB  HB3  sing N N 90  
ALA   OXT HXT  sing N N 91  
ARG   N   CA   sing N N 92  
ARG   N   H    sing N N 93  
ARG   N   H2   sing N N 94  
ARG   CA  C    sing N N 95  
ARG   CA  CB   sing N N 96  
ARG   CA  HA   sing N N 97  
ARG   C   O    doub N N 98  
ARG   C   OXT  sing N N 99  
ARG   CB  CG   sing N N 100 
ARG   CB  HB2  sing N N 101 
ARG   CB  HB3  sing N N 102 
ARG   CG  CD   sing N N 103 
ARG   CG  HG2  sing N N 104 
ARG   CG  HG3  sing N N 105 
ARG   CD  NE   sing N N 106 
ARG   CD  HD2  sing N N 107 
ARG   CD  HD3  sing N N 108 
ARG   NE  CZ   sing N N 109 
ARG   NE  HE   sing N N 110 
ARG   CZ  NH1  sing N N 111 
ARG   CZ  NH2  doub N N 112 
ARG   NH1 HH11 sing N N 113 
ARG   NH1 HH12 sing N N 114 
ARG   NH2 HH21 sing N N 115 
ARG   NH2 HH22 sing N N 116 
ARG   OXT HXT  sing N N 117 
ASN   N   CA   sing N N 118 
ASN   N   H    sing N N 119 
ASN   N   H2   sing N N 120 
ASN   CA  C    sing N N 121 
ASN   CA  CB   sing N N 122 
ASN   CA  HA   sing N N 123 
ASN   C   O    doub N N 124 
ASN   C   OXT  sing N N 125 
ASN   CB  CG   sing N N 126 
ASN   CB  HB2  sing N N 127 
ASN   CB  HB3  sing N N 128 
ASN   CG  OD1  doub N N 129 
ASN   CG  ND2  sing N N 130 
ASN   ND2 HD21 sing N N 131 
ASN   ND2 HD22 sing N N 132 
ASN   OXT HXT  sing N N 133 
ASP   N   CA   sing N N 134 
ASP   N   H    sing N N 135 
ASP   N   H2   sing N N 136 
ASP   CA  C    sing N N 137 
ASP   CA  CB   sing N N 138 
ASP   CA  HA   sing N N 139 
ASP   C   O    doub N N 140 
ASP   C   OXT  sing N N 141 
ASP   CB  CG   sing N N 142 
ASP   CB  HB2  sing N N 143 
ASP   CB  HB3  sing N N 144 
ASP   CG  OD1  doub N N 145 
ASP   CG  OD2  sing N N 146 
ASP   OD2 HD2  sing N N 147 
ASP   OXT HXT  sing N N 148 
CYS   N   CA   sing N N 149 
CYS   N   H    sing N N 150 
CYS   N   H2   sing N N 151 
CYS   CA  C    sing N N 152 
CYS   CA  CB   sing N N 153 
CYS   CA  HA   sing N N 154 
CYS   C   O    doub N N 155 
CYS   C   OXT  sing N N 156 
CYS   CB  SG   sing N N 157 
CYS   CB  HB2  sing N N 158 
CYS   CB  HB3  sing N N 159 
CYS   SG  HG   sing N N 160 
CYS   OXT HXT  sing N N 161 
GLN   N   CA   sing N N 162 
GLN   N   H    sing N N 163 
GLN   N   H2   sing N N 164 
GLN   CA  C    sing N N 165 
GLN   CA  CB   sing N N 166 
GLN   CA  HA   sing N N 167 
GLN   C   O    doub N N 168 
GLN   C   OXT  sing N N 169 
GLN   CB  CG   sing N N 170 
GLN   CB  HB2  sing N N 171 
GLN   CB  HB3  sing N N 172 
GLN   CG  CD   sing N N 173 
GLN   CG  HG2  sing N N 174 
GLN   CG  HG3  sing N N 175 
GLN   CD  OE1  doub N N 176 
GLN   CD  NE2  sing N N 177 
GLN   NE2 HE21 sing N N 178 
GLN   NE2 HE22 sing N N 179 
GLN   OXT HXT  sing N N 180 
GLU   N   CA   sing N N 181 
GLU   N   H    sing N N 182 
GLU   N   H2   sing N N 183 
GLU   CA  C    sing N N 184 
GLU   CA  CB   sing N N 185 
GLU   CA  HA   sing N N 186 
GLU   C   O    doub N N 187 
GLU   C   OXT  sing N N 188 
GLU   CB  CG   sing N N 189 
GLU   CB  HB2  sing N N 190 
GLU   CB  HB3  sing N N 191 
GLU   CG  CD   sing N N 192 
GLU   CG  HG2  sing N N 193 
GLU   CG  HG3  sing N N 194 
GLU   CD  OE1  doub N N 195 
GLU   CD  OE2  sing N N 196 
GLU   OE2 HE2  sing N N 197 
GLU   OXT HXT  sing N N 198 
GLY   N   CA   sing N N 199 
GLY   N   H    sing N N 200 
GLY   N   H2   sing N N 201 
GLY   CA  C    sing N N 202 
GLY   CA  HA2  sing N N 203 
GLY   CA  HA3  sing N N 204 
GLY   C   O    doub N N 205 
GLY   C   OXT  sing N N 206 
GLY   OXT HXT  sing N N 207 
HIS   N   CA   sing N N 208 
HIS   N   H    sing N N 209 
HIS   N   H2   sing N N 210 
HIS   CA  C    sing N N 211 
HIS   CA  CB   sing N N 212 
HIS   CA  HA   sing N N 213 
HIS   C   O    doub N N 214 
HIS   C   OXT  sing N N 215 
HIS   CB  CG   sing N N 216 
HIS   CB  HB2  sing N N 217 
HIS   CB  HB3  sing N N 218 
HIS   CG  ND1  sing Y N 219 
HIS   CG  CD2  doub Y N 220 
HIS   ND1 CE1  doub Y N 221 
HIS   ND1 HD1  sing N N 222 
HIS   CD2 NE2  sing Y N 223 
HIS   CD2 HD2  sing N N 224 
HIS   CE1 NE2  sing Y N 225 
HIS   CE1 HE1  sing N N 226 
HIS   NE2 HE2  sing N N 227 
HIS   OXT HXT  sing N N 228 
HOH   O   H1   sing N N 229 
HOH   O   H2   sing N N 230 
ILE   N   CA   sing N N 231 
ILE   N   H    sing N N 232 
ILE   N   H2   sing N N 233 
ILE   CA  C    sing N N 234 
ILE   CA  CB   sing N N 235 
ILE   CA  HA   sing N N 236 
ILE   C   O    doub N N 237 
ILE   C   OXT  sing N N 238 
ILE   CB  CG1  sing N N 239 
ILE   CB  CG2  sing N N 240 
ILE   CB  HB   sing N N 241 
ILE   CG1 CD1  sing N N 242 
ILE   CG1 HG12 sing N N 243 
ILE   CG1 HG13 sing N N 244 
ILE   CG2 HG21 sing N N 245 
ILE   CG2 HG22 sing N N 246 
ILE   CG2 HG23 sing N N 247 
ILE   CD1 HD11 sing N N 248 
ILE   CD1 HD12 sing N N 249 
ILE   CD1 HD13 sing N N 250 
ILE   OXT HXT  sing N N 251 
LEU   N   CA   sing N N 252 
LEU   N   H    sing N N 253 
LEU   N   H2   sing N N 254 
LEU   CA  C    sing N N 255 
LEU   CA  CB   sing N N 256 
LEU   CA  HA   sing N N 257 
LEU   C   O    doub N N 258 
LEU   C   OXT  sing N N 259 
LEU   CB  CG   sing N N 260 
LEU   CB  HB2  sing N N 261 
LEU   CB  HB3  sing N N 262 
LEU   CG  CD1  sing N N 263 
LEU   CG  CD2  sing N N 264 
LEU   CG  HG   sing N N 265 
LEU   CD1 HD11 sing N N 266 
LEU   CD1 HD12 sing N N 267 
LEU   CD1 HD13 sing N N 268 
LEU   CD2 HD21 sing N N 269 
LEU   CD2 HD22 sing N N 270 
LEU   CD2 HD23 sing N N 271 
LEU   OXT HXT  sing N N 272 
LYS   N   CA   sing N N 273 
LYS   N   H    sing N N 274 
LYS   N   H2   sing N N 275 
LYS   CA  C    sing N N 276 
LYS   CA  CB   sing N N 277 
LYS   CA  HA   sing N N 278 
LYS   C   O    doub N N 279 
LYS   C   OXT  sing N N 280 
LYS   CB  CG   sing N N 281 
LYS   CB  HB2  sing N N 282 
LYS   CB  HB3  sing N N 283 
LYS   CG  CD   sing N N 284 
LYS   CG  HG2  sing N N 285 
LYS   CG  HG3  sing N N 286 
LYS   CD  CE   sing N N 287 
LYS   CD  HD2  sing N N 288 
LYS   CD  HD3  sing N N 289 
LYS   CE  NZ   sing N N 290 
LYS   CE  HE2  sing N N 291 
LYS   CE  HE3  sing N N 292 
LYS   NZ  HZ1  sing N N 293 
LYS   NZ  HZ2  sing N N 294 
LYS   NZ  HZ3  sing N N 295 
LYS   OXT HXT  sing N N 296 
MET   N   CA   sing N N 297 
MET   N   H    sing N N 298 
MET   N   H2   sing N N 299 
MET   CA  C    sing N N 300 
MET   CA  CB   sing N N 301 
MET   CA  HA   sing N N 302 
MET   C   O    doub N N 303 
MET   C   OXT  sing N N 304 
MET   CB  CG   sing N N 305 
MET   CB  HB2  sing N N 306 
MET   CB  HB3  sing N N 307 
MET   CG  SD   sing N N 308 
MET   CG  HG2  sing N N 309 
MET   CG  HG3  sing N N 310 
MET   SD  CE   sing N N 311 
MET   CE  HE1  sing N N 312 
MET   CE  HE2  sing N N 313 
MET   CE  HE3  sing N N 314 
MET   OXT HXT  sing N N 315 
PHE   N   CA   sing N N 316 
PHE   N   H    sing N N 317 
PHE   N   H2   sing N N 318 
PHE   CA  C    sing N N 319 
PHE   CA  CB   sing N N 320 
PHE   CA  HA   sing N N 321 
PHE   C   O    doub N N 322 
PHE   C   OXT  sing N N 323 
PHE   CB  CG   sing N N 324 
PHE   CB  HB2  sing N N 325 
PHE   CB  HB3  sing N N 326 
PHE   CG  CD1  doub Y N 327 
PHE   CG  CD2  sing Y N 328 
PHE   CD1 CE1  sing Y N 329 
PHE   CD1 HD1  sing N N 330 
PHE   CD2 CE2  doub Y N 331 
PHE   CD2 HD2  sing N N 332 
PHE   CE1 CZ   doub Y N 333 
PHE   CE1 HE1  sing N N 334 
PHE   CE2 CZ   sing Y N 335 
PHE   CE2 HE2  sing N N 336 
PHE   CZ  HZ   sing N N 337 
PHE   OXT HXT  sing N N 338 
PRO   N   CA   sing N N 339 
PRO   N   CD   sing N N 340 
PRO   N   H    sing N N 341 
PRO   CA  C    sing N N 342 
PRO   CA  CB   sing N N 343 
PRO   CA  HA   sing N N 344 
PRO   C   O    doub N N 345 
PRO   C   OXT  sing N N 346 
PRO   CB  CG   sing N N 347 
PRO   CB  HB2  sing N N 348 
PRO   CB  HB3  sing N N 349 
PRO   CG  CD   sing N N 350 
PRO   CG  HG2  sing N N 351 
PRO   CG  HG3  sing N N 352 
PRO   CD  HD2  sing N N 353 
PRO   CD  HD3  sing N N 354 
PRO   OXT HXT  sing N N 355 
SER   N   CA   sing N N 356 
SER   N   H    sing N N 357 
SER   N   H2   sing N N 358 
SER   CA  C    sing N N 359 
SER   CA  CB   sing N N 360 
SER   CA  HA   sing N N 361 
SER   C   O    doub N N 362 
SER   C   OXT  sing N N 363 
SER   CB  OG   sing N N 364 
SER   CB  HB2  sing N N 365 
SER   CB  HB3  sing N N 366 
SER   OG  HG   sing N N 367 
SER   OXT HXT  sing N N 368 
THR   N   CA   sing N N 369 
THR   N   H    sing N N 370 
THR   N   H2   sing N N 371 
THR   CA  C    sing N N 372 
THR   CA  CB   sing N N 373 
THR   CA  HA   sing N N 374 
THR   C   O    doub N N 375 
THR   C   OXT  sing N N 376 
THR   CB  OG1  sing N N 377 
THR   CB  CG2  sing N N 378 
THR   CB  HB   sing N N 379 
THR   OG1 HG1  sing N N 380 
THR   CG2 HG21 sing N N 381 
THR   CG2 HG22 sing N N 382 
THR   CG2 HG23 sing N N 383 
THR   OXT HXT  sing N N 384 
TRP   N   CA   sing N N 385 
TRP   N   H    sing N N 386 
TRP   N   H2   sing N N 387 
TRP   CA  C    sing N N 388 
TRP   CA  CB   sing N N 389 
TRP   CA  HA   sing N N 390 
TRP   C   O    doub N N 391 
TRP   C   OXT  sing N N 392 
TRP   CB  CG   sing N N 393 
TRP   CB  HB2  sing N N 394 
TRP   CB  HB3  sing N N 395 
TRP   CG  CD1  doub Y N 396 
TRP   CG  CD2  sing Y N 397 
TRP   CD1 NE1  sing Y N 398 
TRP   CD1 HD1  sing N N 399 
TRP   CD2 CE2  doub Y N 400 
TRP   CD2 CE3  sing Y N 401 
TRP   NE1 CE2  sing Y N 402 
TRP   NE1 HE1  sing N N 403 
TRP   CE2 CZ2  sing Y N 404 
TRP   CE3 CZ3  doub Y N 405 
TRP   CE3 HE3  sing N N 406 
TRP   CZ2 CH2  doub Y N 407 
TRP   CZ2 HZ2  sing N N 408 
TRP   CZ3 CH2  sing Y N 409 
TRP   CZ3 HZ3  sing N N 410 
TRP   CH2 HH2  sing N N 411 
TRP   OXT HXT  sing N N 412 
TYR   N   CA   sing N N 413 
TYR   N   H    sing N N 414 
TYR   N   H2   sing N N 415 
TYR   CA  C    sing N N 416 
TYR   CA  CB   sing N N 417 
TYR   CA  HA   sing N N 418 
TYR   C   O    doub N N 419 
TYR   C   OXT  sing N N 420 
TYR   CB  CG   sing N N 421 
TYR   CB  HB2  sing N N 422 
TYR   CB  HB3  sing N N 423 
TYR   CG  CD1  doub Y N 424 
TYR   CG  CD2  sing Y N 425 
TYR   CD1 CE1  sing Y N 426 
TYR   CD1 HD1  sing N N 427 
TYR   CD2 CE2  doub Y N 428 
TYR   CD2 HD2  sing N N 429 
TYR   CE1 CZ   doub Y N 430 
TYR   CE1 HE1  sing N N 431 
TYR   CE2 CZ   sing Y N 432 
TYR   CE2 HE2  sing N N 433 
TYR   CZ  OH   sing N N 434 
TYR   OH  HH   sing N N 435 
TYR   OXT HXT  sing N N 436 
VAL   N   CA   sing N N 437 
VAL   N   H    sing N N 438 
VAL   N   H2   sing N N 439 
VAL   CA  C    sing N N 440 
VAL   CA  CB   sing N N 441 
VAL   CA  HA   sing N N 442 
VAL   C   O    doub N N 443 
VAL   C   OXT  sing N N 444 
VAL   CB  CG1  sing N N 445 
VAL   CB  CG2  sing N N 446 
VAL   CB  HB   sing N N 447 
VAL   CG1 HG11 sing N N 448 
VAL   CG1 HG12 sing N N 449 
VAL   CG1 HG13 sing N N 450 
VAL   CG2 HG21 sing N N 451 
VAL   CG2 HG22 sing N N 452 
VAL   CG2 HG23 sing N N 453 
VAL   OXT HXT  sing N N 454 
# 
_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   7UGI 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9JUT 
_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]   0.020674 
_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]   0.017863 
_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]   0.008762 
_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    . LYS   A 1 25  ? 1.239   18.510  37.874 1.00 37.78 ? 1045 LYS   A N    1 
ATOM   2    C  CA   . LYS   A 1 25  ? -0.079  18.531  38.618 1.00 36.38 ? 1045 LYS   A CA   1 
ATOM   3    C  C    . LYS   A 1 25  ? -1.154  17.790  37.824 1.00 30.94 ? 1045 LYS   A C    1 
ATOM   4    O  O    . LYS   A 1 25  ? -1.222  18.007  36.611 1.00 30.81 ? 1045 LYS   A O    1 
ATOM   5    C  CB   . LYS   A 1 25  ? -0.620  19.946  38.795 1.00 35.77 ? 1045 LYS   A CB   1 
ATOM   6    C  CG   . LYS   A 1 25  ? -0.035  20.745  39.949 1.00 36.79 ? 1045 LYS   A CG   1 
ATOM   7    C  CD   . LYS   A 1 25  ? -0.722  22.080  40.043 1.00 33.05 ? 1045 LYS   A CD   1 
ATOM   8    C  CE   . LYS   A 1 25  ? -0.620  22.683  41.416 1.00 32.17 ? 1045 LYS   A CE   1 
ATOM   9    N  NZ   . LYS   A 1 25  ? -1.715  23.638  41.645 1.00 28.06 ? 1045 LYS   A NZ   1 
ATOM   10   N  N    . LYS   A 1 26  ? -2.038  17.068  38.512 1.00 28.43 ? 1046 LYS   A N    1 
ATOM   11   C  CA   . LYS   A 1 26  ? -3.132  16.304  37.863 1.00 25.96 ? 1046 LYS   A CA   1 
ATOM   12   C  C    . LYS   A 1 26  ? -4.049  17.274  37.131 1.00 23.05 ? 1046 LYS   A C    1 
ATOM   13   O  O    . LYS   A 1 26  ? -4.371  18.350  37.660 1.00 19.74 ? 1046 LYS   A O    1 
ATOM   14   C  CB   . LYS   A 1 26  ? -3.933  15.473  38.860 1.00 26.37 ? 1046 LYS   A CB   1 
ATOM   15   C  CG   . LYS   A 1 26  ? -3.191  14.277  39.431 1.00 30.92 ? 1046 LYS   A CG   1 
ATOM   16   C  CD   . LYS   A 1 26  ? -4.083  13.070  39.578 1.00 34.36 ? 1046 LYS   A CD   1 
ATOM   17   C  CE   . LYS   A 1 26  ? -3.336  11.874  40.125 1.00 37.39 ? 1046 LYS   A CE   1 
ATOM   18   N  NZ   . LYS   A 1 26  ? -2.845  12.152  41.492 1.00 36.43 ? 1046 LYS   A NZ   1 
ATOM   19   N  N    . LYS   A 1 27  ? -4.451  16.883  35.937 1.00 21.22 ? 1047 LYS   A N    1 
ATOM   20   C  CA   . LYS   A 1 27  ? -5.504  17.569  35.174 1.00 21.28 ? 1047 LYS   A CA   1 
ATOM   21   C  C    . LYS   A 1 27  ? -6.174  16.510  34.310 1.00 21.38 ? 1047 LYS   A C    1 
ATOM   22   O  O    . LYS   A 1 27  ? -5.435  15.681  33.742 1.00 18.68 ? 1047 LYS   A O    1 
ATOM   23   C  CB   . LYS   A 1 27  ? -4.900  18.691  34.333 1.00 22.59 ? 1047 LYS   A CB   1 
ATOM   24   C  CG   . LYS   A 1 27  ? -5.924  19.434  33.487 1.00 24.95 ? 1047 LYS   A CG   1 
ATOM   25   C  CD   . LYS   A 1 27  ? -5.471  20.805  33.146 1.00 28.33 ? 1047 LYS   A CD   1 
ATOM   26   C  CE   . LYS   A 1 27  ? -6.429  21.514  32.230 1.00 33.22 ? 1047 LYS   A CE   1 
ATOM   27   N  NZ   . LYS   A 1 27  ? -5.723  22.616  31.523 1.00 41.10 ? 1047 LYS   A NZ   1 
ATOM   28   N  N    . ILE   A 1 28  ? -7.505  16.499  34.251 1.00 18.50 ? 1048 ILE   A N    1 
ATOM   29   C  CA   . ILE   A 1 28  ? -8.226  15.582  33.336 1.00 19.91 ? 1048 ILE   A CA   1 
ATOM   30   C  C    . ILE   A 1 28  ? -8.447  16.355  32.044 1.00 22.11 ? 1048 ILE   A C    1 
ATOM   31   O  O    . ILE   A 1 28  ? -8.897  17.499  32.126 1.00 21.59 ? 1048 ILE   A O    1 
ATOM   32   C  CB   . ILE   A 1 28  ? -9.530  15.075  33.942 1.00 21.09 ? 1048 ILE   A CB   1 
ATOM   33   C  CG1  . ILE   A 1 28  ? -9.260  14.275  35.210 1.00 20.80 ? 1048 ILE   A CG1  1 
ATOM   34   C  CG2  . ILE   A 1 28  ? -10.326 14.273  32.925 1.00 20.95 ? 1048 ILE   A CG2  1 
ATOM   35   C  CD1  . ILE   A 1 28  ? -10.488 14.055  36.030 1.00 21.46 ? 1048 ILE   A CD1  1 
ATOM   36   N  N    . PHE   A 1 29  ? -8.057  15.775  30.912 1.00 22.07 ? 1049 PHE   A N    1 
ATOM   37   C  CA   . PHE   A 1 29  ? -8.237  16.378  29.565 1.00 25.26 ? 1049 PHE   A CA   1 
ATOM   38   C  C    . PHE   A 1 29  ? -9.387  15.654  28.853 1.00 25.87 ? 1049 PHE   A C    1 
ATOM   39   O  O    . PHE   A 1 29  ? -9.528  14.457  29.038 1.00 27.29 ? 1049 PHE   A O    1 
ATOM   40   C  CB   . PHE   A 1 29  ? -6.926  16.278  28.788 1.00 23.19 ? 1049 PHE   A CB   1 
ATOM   41   C  CG   . PHE   A 1 29  ? -5.804  17.124  29.333 1.00 22.24 ? 1049 PHE   A CG   1 
ATOM   42   C  CD1  . PHE   A 1 29  ? -5.642  18.433  28.907 1.00 22.47 ? 1049 PHE   A CD1  1 
ATOM   43   C  CD2  . PHE   A 1 29  ? -4.890  16.601  30.218 1.00 21.25 ? 1049 PHE   A CD2  1 
ATOM   44   C  CE1  . PHE   A 1 29  ? -4.601  19.204  29.386 1.00 21.99 ? 1049 PHE   A CE1  1 
ATOM   45   C  CE2  . PHE   A 1 29  ? -3.861  17.379  30.719 1.00 22.86 ? 1049 PHE   A CE2  1 
ATOM   46   C  CZ   . PHE   A 1 29  ? -3.703  18.671  30.281 1.00 22.95 ? 1049 PHE   A CZ   1 
ATOM   47   N  N    . LYS   A 1 30  ? -10.198 16.372  28.088 1.00 30.54 ? 1050 LYS   A N    1 
ATOM   48   C  CA   . LYS   A 1 30  ? -11.145 15.768  27.113 1.00 34.44 ? 1050 LYS   A CA   1 
ATOM   49   C  C    . LYS   A 1 30  ? -10.317 15.383  25.885 1.00 31.58 ? 1050 LYS   A C    1 
ATOM   50   O  O    . LYS   A 1 30  ? -9.475  16.169  25.459 1.00 26.94 ? 1050 LYS   A O    1 
ATOM   51   C  CB   . LYS   A 1 30  ? -12.276 16.738  26.764 1.00 38.20 ? 1050 LYS   A CB   1 
ATOM   52   C  CG   . LYS   A 1 30  ? -12.838 17.581  27.906 1.00 43.67 ? 1050 LYS   A CG   1 
ATOM   53   C  CD   . LYS   A 1 30  ? -12.322 19.025  27.962 1.00 47.56 ? 1050 LYS   A CD   1 
ATOM   54   C  CE   . LYS   A 1 30  ? -11.105 19.249  28.852 1.00 48.99 ? 1050 LYS   A CE   1 
ATOM   55   N  NZ   . LYS   A 1 30  ? -9.824  19.326  28.095 1.00 42.59 ? 1050 LYS   A NZ   1 
ATOM   56   N  N    . PRO   A 1 31  ? -10.451 14.151  25.342 1.00 31.74 ? 1051 PRO   A N    1 
ATOM   57   C  CA   . PRO   A 1 31  ? -9.710  13.748  24.142 1.00 36.20 ? 1051 PRO   A CA   1 
ATOM   58   C  C    . PRO   A 1 31  ? -9.833  14.745  22.984 1.00 35.06 ? 1051 PRO   A C    1 
ATOM   59   O  O    . PRO   A 1 31  ? -8.835  15.036  22.374 1.00 33.70 ? 1051 PRO   A O    1 
ATOM   60   C  CB   . PRO   A 1 31  ? -10.337 12.393  23.781 1.00 36.16 ? 1051 PRO   A CB   1 
ATOM   61   C  CG   . PRO   A 1 31  ? -10.716 11.830  25.124 1.00 36.21 ? 1051 PRO   A CG   1 
ATOM   62   C  CD   . PRO   A 1 31  ? -11.206 13.029  25.918 1.00 35.73 ? 1051 PRO   A CD   1 
ATOM   63   N  N    . GLU   A 1 32  ? -11.039 15.274  22.765 1.00 39.51 ? 1052 GLU   A N    1 
ATOM   64   C  CA   . GLU   A 1 32  ? -11.365 16.269  21.708 1.00 40.22 ? 1052 GLU   A CA   1 
ATOM   65   C  C    . GLU   A 1 32  ? -10.471 17.500  21.873 1.00 38.12 ? 1052 GLU   A C    1 
ATOM   66   O  O    . GLU   A 1 32  ? -10.002 18.003  20.851 1.00 35.45 ? 1052 GLU   A O    1 
ATOM   67   C  CB   . GLU   A 1 32  ? -12.844 16.673  21.737 1.00 47.88 ? 1052 GLU   A CB   1 
ATOM   68   C  CG   . GLU   A 1 32  ? -13.788 15.545  22.138 1.00 52.83 ? 1052 GLU   A CG   1 
ATOM   69   C  CD   . GLU   A 1 32  ? -13.786 15.223  23.629 1.00 53.39 ? 1052 GLU   A CD   1 
ATOM   70   O  OE1  . GLU   A 1 32  ? -13.689 14.029  23.993 1.00 54.29 ? 1052 GLU   A OE1  1 
ATOM   71   O  OE2  . GLU   A 1 32  ? -13.861 16.173  24.420 1.00 57.58 ? 1052 GLU   A OE2  1 
ATOM   72   N  N    . GLU   A 1 33  ? -10.209 17.958  23.102 1.00 35.85 ? 1053 GLU   A N    1 
ATOM   73   C  CA   . GLU   A 1 33  ? -9.338  19.149  23.332 1.00 35.67 ? 1053 GLU   A CA   1 
ATOM   74   C  C    . GLU   A 1 33  ? -7.856  18.782  23.173 1.00 32.58 ? 1053 GLU   A C    1 
ATOM   75   O  O    . GLU   A 1 33  ? -7.077  19.645  22.714 1.00 34.04 ? 1053 GLU   A O    1 
ATOM   76   C  CB   . GLU   A 1 33  ? -9.584  19.783  24.705 1.00 42.51 ? 1053 GLU   A CB   1 
ATOM   77   C  CG   . GLU   A 1 33  ? -10.400 21.079  24.653 1.00 49.87 ? 1053 GLU   A CG   1 
ATOM   78   C  CD   . GLU   A 1 33  ? -11.882 20.955  24.995 1.00 59.07 ? 1053 GLU   A CD   1 
ATOM   79   O  OE1  . GLU   A 1 33  ? -12.612 20.265  24.242 1.00 62.99 ? 1053 GLU   A OE1  1 
ATOM   80   O  OE2  . GLU   A 1 33  ? -12.309 21.537  26.028 1.00 61.12 ? 1053 GLU   A OE2  1 
ATOM   81   N  N    . LEU   A 1 34  ? -7.445  17.577  23.571 1.00 28.55 ? 1054 LEU   A N    1 
ATOM   82   C  CA   . LEU   A 1 34  ? -6.080  17.086  23.271 1.00 29.67 ? 1054 LEU   A CA   1 
ATOM   83   C  C    . LEU   A 1 34  ? -5.894  17.099  21.758 1.00 27.53 ? 1054 LEU   A C    1 
ATOM   84   O  O    . LEU   A 1 34  ? -4.964  17.759  21.290 1.00 26.02 ? 1054 LEU   A O    1 
ATOM   85   C  CB   . LEU   A 1 34  ? -5.877  15.673  23.819 1.00 29.56 ? 1054 LEU   A CB   1 
ATOM   86   C  CG   . LEU   A 1 34  ? -5.553  15.609  25.296 1.00 30.20 ? 1054 LEU   A CG   1 
ATOM   87   C  CD1  . LEU   A 1 34  ? -5.262  14.172  25.710 1.00 32.58 ? 1054 LEU   A CD1  1 
ATOM   88   C  CD2  . LEU   A 1 34  ? -4.399  16.532  25.630 1.00 30.78 ? 1054 LEU   A CD2  1 
ATOM   89   N  N    . ARG   A 1 35  ? -6.777  16.393  21.047 1.00 29.62 ? 1055 ARG   A N    1 
ATOM   90   C  CA   . ARG   A 1 35  ? -6.738  16.246  19.572 1.00 29.67 ? 1055 ARG   A CA   1 
ATOM   91   C  C    . ARG   A 1 35  ? -6.515  17.636  18.984 1.00 28.38 ? 1055 ARG   A C    1 
ATOM   92   O  O    . ARG   A 1 35  ? -5.555  17.810  18.245 1.00 24.39 ? 1055 ARG   A O    1 
ATOM   93   C  CB   . ARG   A 1 35  ? -8.019  15.580  19.059 1.00 32.22 ? 1055 ARG   A CB   1 
ATOM   94   C  CG   . ARG   A 1 35  ? -7.877  14.865  17.725 1.00 37.76 ? 1055 ARG   A CG   1 
ATOM   95   C  CD   . ARG   A 1 35  ? -9.146  14.929  16.890 1.00 43.05 ? 1055 ARG   A CD   1 
ATOM   96   N  NE   . ARG   A 1 35  ? -9.041  14.230  15.605 1.00 47.40 ? 1055 ARG   A NE   1 
ATOM   97   C  CZ   . ARG   A 1 35  ? -8.773  14.781  14.406 1.00 50.14 ? 1055 ARG   A CZ   1 
ATOM   98   N  NH1  . ARG   A 1 35  ? -8.722  14.011  13.331 1.00 52.36 ? 1055 ARG   A NH1  1 
ATOM   99   N  NH2  . ARG   A 1 35  ? -8.540  16.076  14.264 1.00 50.46 ? 1055 ARG   A NH2  1 
ATOM   100  N  N    . GLN   A 1 36  ? -7.370  18.598  19.312 1.00 31.06 ? 1056 GLN   A N    1 
ATOM   101  C  CA   . GLN   A 1 36  ? -7.357  19.923  18.642 1.00 34.11 ? 1056 GLN   A CA   1 
ATOM   102  C  C    . GLN   A 1 36  ? -6.071  20.664  19.021 1.00 30.52 ? 1056 GLN   A C    1 
ATOM   103  O  O    . GLN   A 1 36  ? -5.534  21.361  18.168 1.00 35.20 ? 1056 GLN   A O    1 
ATOM   104  C  CB   . GLN   A 1 36  ? -8.642  20.711  18.913 1.00 38.09 ? 1056 GLN   A CB   1 
ATOM   105  C  CG   . GLN   A 1 36  ? -8.822  21.122  20.360 1.00 47.02 ? 1056 GLN   A CG   1 
ATOM   106  C  CD   . GLN   A 1 36  ? -8.550  22.586  20.622 1.00 56.90 ? 1056 GLN   A CD   1 
ATOM   107  O  OE1  . GLN   A 1 36  ? -9.374  23.281  21.222 1.00 62.68 ? 1056 GLN   A OE1  1 
ATOM   108  N  NE2  . GLN   A 1 36  ? -7.394  23.063  20.182 1.00 55.12 ? 1056 GLN   A NE2  1 
ATOM   109  N  N    . ALA   A 1 37  ? -5.568  20.522  20.240 1.00 28.41 ? 1057 ALA   A N    1 
ATOM   110  C  CA   . ALA   A 1 37  ? -4.305  21.192  20.631 1.00 29.05 ? 1057 ALA   A CA   1 
ATOM   111  C  C    . ALA   A 1 37  ? -3.109  20.473  19.977 1.00 26.68 ? 1057 ALA   A C    1 
ATOM   112  O  O    . ALA   A 1 37  ? -2.157  21.164  19.587 1.00 24.58 ? 1057 ALA   A O    1 
ATOM   113  C  CB   . ALA   A 1 37  ? -4.169  21.260  22.140 1.00 27.99 ? 1057 ALA   A CB   1 
ATOM   114  N  N    . LEU   A 1 38  ? -3.112  19.137  19.891 1.00 25.70 ? 1058 LEU   A N    1 
ATOM   115  C  CA   . LEU   A 1 38  ? -1.858  18.394  19.550 1.00 24.98 ? 1058 LEU   A CA   1 
ATOM   116  C  C    . LEU   A 1 38  ? -1.778  18.121  18.037 1.00 25.01 ? 1058 LEU   A C    1 
ATOM   117  O  O    . LEU   A 1 38  ? -0.652  18.135  17.515 1.00 23.88 ? 1058 LEU   A O    1 
ATOM   118  C  CB   . LEU   A 1 38  ? -1.765  17.107  20.369 1.00 22.58 ? 1058 LEU   A CB   1 
ATOM   119  C  CG   . LEU   A 1 38  ? -1.694  17.285  21.884 1.00 21.53 ? 1058 LEU   A CG   1 
ATOM   120  C  CD1  . LEU   A 1 38  ? -1.784  15.950  22.593 1.00 20.53 ? 1058 LEU   A CD1  1 
ATOM   121  C  CD2  . LEU   A 1 38  ? -0.445  18.017  22.319 1.00 23.00 ? 1058 LEU   A CD2  1 
ATOM   122  N  N    . MET   A 1 39  ? -2.907  17.900  17.357 1.00 27.15 ? 1059 MET   A N    1 
ATOM   123  C  CA   . MET   A 1 39  ? -2.972  17.636  15.885 1.00 29.34 ? 1059 MET   A CA   1 
ATOM   124  C  C    . MET   A 1 39  ? -2.080  18.598  15.112 1.00 28.68 ? 1059 MET   A C    1 
ATOM   125  O  O    . MET   A 1 39  ? -1.394  18.176  14.188 1.00 27.53 ? 1059 MET   A O    1 
ATOM   126  C  CB   . MET   A 1 39  ? -4.380  17.773  15.289 1.00 31.53 ? 1059 MET   A CB   1 
ATOM   127  C  CG   . MET   A 1 39  ? -4.987  16.491  14.773 1.00 35.30 ? 1059 MET   A CG   1 
ATOM   128  S  SD   . MET   A 1 39  ? -3.874  15.191  14.084 1.00 39.16 ? 1059 MET   A SD   1 
ATOM   129  C  CE   . MET   A 1 39  ? -4.921  13.778  14.432 1.00 39.71 ? 1059 MET   A CE   1 
ATOM   130  N  N    . PRO   A 1 40  ? -2.173  19.924  15.337 1.00 30.07 ? 1060 PRO   A N    1 
ATOM   131  C  CA   . PRO   A 1 40  ? -1.301  20.858  14.630 1.00 29.40 ? 1060 PRO   A CA   1 
ATOM   132  C  C    . PRO   A 1 40  ? 0.208   20.580  14.722 1.00 28.85 ? 1060 PRO   A C    1 
ATOM   133  O  O    . PRO   A 1 40  ? 0.891   20.846  13.767 1.00 28.39 ? 1060 PRO   A O    1 
ATOM   134  C  CB   . PRO   A 1 40  ? -1.664  22.203  15.290 1.00 32.03 ? 1060 PRO   A CB   1 
ATOM   135  C  CG   . PRO   A 1 40  ? -3.143  22.044  15.625 1.00 31.00 ? 1060 PRO   A CG   1 
ATOM   136  C  CD   . PRO   A 1 40  ? -3.254  20.605  16.081 1.00 30.98 ? 1060 PRO   A CD   1 
ATOM   137  N  N    . THR   A 1 41  ? 0.711   20.098  15.857 1.00 27.27 ? 1061 THR   A N    1 
ATOM   138  C  CA   . THR   A 1 41  ? 2.135   19.698  15.972 1.00 25.47 ? 1061 THR   A CA   1 
ATOM   139  C  C    . THR   A 1 41  ? 2.372   18.506  15.044 1.00 24.75 ? 1061 THR   A C    1 
ATOM   140  O  O    . THR   A 1 41  ? 3.439   18.456  14.432 1.00 25.53 ? 1061 THR   A O    1 
ATOM   141  C  CB   . THR   A 1 41  ? 2.551   19.429  17.422 1.00 25.59 ? 1061 THR   A CB   1 
ATOM   142  O  OG1  . THR   A 1 41  ? 1.918   18.243  17.902 1.00 22.87 ? 1061 THR   A OG1  1 
ATOM   143  C  CG2  . THR   A 1 41  ? 2.240   20.602  18.327 1.00 27.20 ? 1061 THR   A CG2  1 
ATOM   144  N  N    . LEU   A 1 42  ? 1.406   17.596  14.933 1.00 22.74 ? 1062 LEU   A N    1 
ATOM   145  C  CA   . LEU   A 1 42  ? 1.550   16.362  14.126 1.00 23.85 ? 1062 LEU   A CA   1 
ATOM   146  C  C    . LEU   A 1 42  ? 1.516   16.761  12.643 1.00 25.28 ? 1062 LEU   A C    1 
ATOM   147  O  O    . LEU   A 1 42  ? 2.363   16.295  11.877 1.00 21.43 ? 1062 LEU   A O    1 
ATOM   148  C  CB   . LEU   A 1 42  ? 0.420   15.398  14.498 1.00 24.19 ? 1062 LEU   A CB   1 
ATOM   149  C  CG   . LEU   A 1 42  ? 0.498   14.009  13.869 1.00 24.52 ? 1062 LEU   A CG   1 
ATOM   150  C  CD1  . LEU   A 1 42  ? 1.840   13.376  14.127 1.00 25.17 ? 1062 LEU   A CD1  1 
ATOM   151  C  CD2  . LEU   A 1 42  ? -0.593  13.125  14.427 1.00 25.67 ? 1062 LEU   A CD2  1 
ATOM   152  N  N    . GLU   A 1 43  ? 0.592   17.642  12.266 1.00 26.23 ? 1063 GLU   A N    1 
ATOM   153  C  CA   . GLU   A 1 43  ? 0.431   18.119  10.870 1.00 28.42 ? 1063 GLU   A CA   1 
ATOM   154  C  C    . GLU   A 1 43  ? 1.713   18.855  10.450 1.00 25.52 ? 1063 GLU   A C    1 
ATOM   155  O  O    . GLU   A 1 43  ? 2.102   18.707  9.295  1.00 27.75 ? 1063 GLU   A O    1 
ATOM   156  C  CB   . GLU   A 1 43  ? -0.844  18.962  10.730 1.00 33.33 ? 1063 GLU   A CB   1 
ATOM   157  C  CG   . GLU   A 1 43  ? -2.124  18.124  10.620 1.00 38.43 ? 1063 GLU   A CG   1 
ATOM   158  C  CD   . GLU   A 1 43  ? -3.433  18.841  10.978 1.00 46.87 ? 1063 GLU   A CD   1 
ATOM   159  O  OE1  . GLU   A 1 43  ? -4.532  18.232  10.792 1.00 43.72 ? 1063 GLU   A OE1  1 
ATOM   160  O  OE2  . GLU   A 1 43  ? -3.367  20.012  11.453 1.00 46.50 ? 1063 GLU   A OE2  1 
ATOM   161  N  N    . ALA   A 1 44  ? 2.370   19.570  11.358 1.00 23.46 ? 1064 ALA   A N    1 
ATOM   162  C  CA   . ALA   A 1 44  ? 3.656   20.258  11.098 1.00 25.49 ? 1064 ALA   A CA   1 
ATOM   163  C  C    . ALA   A 1 44  ? 4.767   19.251  10.752 1.00 26.15 ? 1064 ALA   A C    1 
ATOM   164  O  O    . ALA   A 1 44  ? 5.671   19.619  9.973  1.00 27.27 ? 1064 ALA   A O    1 
ATOM   165  C  CB   . ALA   A 1 44  ? 4.060   21.073  12.280 1.00 24.86 ? 1064 ALA   A CB   1 
ATOM   166  N  N    . LEU   A 1 45  ? 4.741   18.046  11.325 1.00 23.21 ? 1065 LEU   A N    1 
ATOM   167  C  CA   . LEU   A 1 45  ? 5.706   16.978  10.954 1.00 22.73 ? 1065 LEU   A CA   1 
ATOM   168  C  C    . LEU   A 1 45  ? 5.359   16.454  9.554  1.00 21.97 ? 1065 LEU   A C    1 
ATOM   169  O  O    . LEU   A 1 45  ? 6.264   16.412  8.716  1.00 21.11 ? 1065 LEU   A O    1 
ATOM   170  C  CB   . LEU   A 1 45  ? 5.679   15.864  11.999 1.00 20.54 ? 1065 LEU   A CB   1 
ATOM   171  C  CG   . LEU   A 1 45  ? 6.059   16.296  13.412 1.00 22.23 ? 1065 LEU   A CG   1 
ATOM   172  C  CD1  . LEU   A 1 45  ? 6.218   15.076  14.300 1.00 22.55 ? 1065 LEU   A CD1  1 
ATOM   173  C  CD2  . LEU   A 1 45  ? 7.327   17.141  13.422 1.00 22.59 ? 1065 LEU   A CD2  1 
ATOM   174  N  N    . TYR   A 1 46  ? 4.083   16.156  9.308  1.00 23.14 ? 1066 TYR   A N    1 
ATOM   175  C  CA   . TYR   A 1 46  ? 3.560   15.611  8.026  1.00 26.67 ? 1066 TYR   A CA   1 
ATOM   176  C  C    . TYR   A 1 46  ? 3.944   16.510  6.843  1.00 28.40 ? 1066 TYR   A C    1 
ATOM   177  O  O    . TYR   A 1 46  ? 4.237   15.949  5.776  1.00 27.31 ? 1066 TYR   A O    1 
ATOM   178  C  CB   . TYR   A 1 46  ? 2.043   15.435  8.047  1.00 25.84 ? 1066 TYR   A CB   1 
ATOM   179  C  CG   . TYR   A 1 46  ? 1.594   14.066  8.487  1.00 28.08 ? 1066 TYR   A CG   1 
ATOM   180  C  CD1  . TYR   A 1 46  ? 1.593   12.987  7.618  1.00 27.10 ? 1066 TYR   A CD1  1 
ATOM   181  C  CD2  . TYR   A 1 46  ? 1.161   13.860  9.787  1.00 28.43 ? 1066 TYR   A CD2  1 
ATOM   182  C  CE1  . TYR   A 1 46  ? 1.181   11.731  8.040  1.00 29.25 ? 1066 TYR   A CE1  1 
ATOM   183  C  CE2  . TYR   A 1 46  ? 0.723   12.621  10.215 1.00 27.32 ? 1066 TYR   A CE2  1 
ATOM   184  C  CZ   . TYR   A 1 46  ? 0.744   11.547  9.345  1.00 28.28 ? 1066 TYR   A CZ   1 
ATOM   185  O  OH   . TYR   A 1 46  ? 0.286   10.340  9.802  1.00 28.63 ? 1066 TYR   A OH   1 
ATOM   186  N  N    . ARG   A 1 47  ? 3.948   17.830  7.031  1.00 27.77 ? 1067 ARG   A N    1 
ATOM   187  C  CA   . ARG   A 1 47  ? 4.220   18.795  5.940  1.00 32.44 ? 1067 ARG   A CA   1 
ATOM   188  C  C    . ARG   A 1 47  ? 5.731   18.896  5.686  1.00 31.05 ? 1067 ARG   A C    1 
ATOM   189  O  O    . ARG   A 1 47  ? 6.109   19.511  4.699  1.00 31.93 ? 1067 ARG   A O    1 
ATOM   190  C  CB   . ARG   A 1 47  ? 3.512   20.116  6.254  1.00 35.52 ? 1067 ARG   A CB   1 
ATOM   191  C  CG   . ARG   A 1 47  ? 1.997   19.967  6.150  1.00 41.72 ? 1067 ARG   A CG   1 
ATOM   192  C  CD   . ARG   A 1 47  ? 1.172   21.245  6.129  1.00 46.51 ? 1067 ARG   A CD   1 
ATOM   193  N  NE   . ARG   A 1 47  ? 0.985   21.750  7.484  1.00 49.75 ? 1067 ARG   A NE   1 
ATOM   194  C  CZ   . ARG   A 1 47  ? 1.855   22.525  8.124  1.00 48.89 ? 1067 ARG   A CZ   1 
ATOM   195  N  NH1  . ARG   A 1 47  ? 2.972   22.909  7.529  1.00 49.89 ? 1067 ARG   A NH1  1 
ATOM   196  N  NH2  . ARG   A 1 47  ? 1.607   22.913  9.360  1.00 46.84 ? 1067 ARG   A NH2  1 
ATOM   197  N  N    . GLN   A 1 48  ? 6.589   18.296  6.508  1.00 29.81 ? 1068 GLN   A N    1 
ATOM   198  C  CA   . GLN   A 1 48  ? 8.026   18.206  6.158  1.00 28.03 ? 1068 GLN   A CA   1 
ATOM   199  C  C    . GLN   A 1 48  ? 8.173   17.169  5.035  1.00 28.47 ? 1068 GLN   A C    1 
ATOM   200  O  O    . GLN   A 1 48  ? 7.903   15.971  5.260  1.00 27.22 ? 1068 GLN   A O    1 
ATOM   201  C  CB   . GLN   A 1 48  ? 8.880   17.897  7.383  1.00 28.84 ? 1068 GLN   A CB   1 
ATOM   202  C  CG   . GLN   A 1 48  ? 8.708   18.894  8.511  1.00 29.29 ? 1068 GLN   A CG   1 
ATOM   203  C  CD   . GLN   A 1 48  ? 8.659   20.319  8.021  1.00 31.63 ? 1068 GLN   A CD   1 
ATOM   204  O  OE1  . GLN   A 1 48  ? 9.655   20.881  7.583  1.00 33.93 ? 1068 GLN   A OE1  1 
ATOM   205  N  NE2  . GLN   A 1 48  ? 7.471   20.897  8.043  1.00 33.48 ? 1068 GLN   A NE2  1 
ATOM   206  N  N    . ASP   A 1 49  ? 8.507   17.644  3.839  1.00 31.17 ? 1069 ASP   A N    1 
ATOM   207  C  CA   . ASP   A 1 49  ? 8.721   16.803  2.633  1.00 34.56 ? 1069 ASP   A CA   1 
ATOM   208  C  C    . ASP   A 1 49  ? 10.080  17.205  2.091  1.00 31.08 ? 1069 ASP   A C    1 
ATOM   209  O  O    . ASP   A 1 49  ? 10.289  18.371  1.806  1.00 36.92 ? 1069 ASP   A O    1 
ATOM   210  C  CB   . ASP   A 1 49  ? 7.581   16.975  1.626  1.00 37.50 ? 1069 ASP   A CB   1 
ATOM   211  C  CG   . ASP   A 1 49  ? 7.642   16.051  0.417  1.00 39.80 ? 1069 ASP   A CG   1 
ATOM   212  O  OD1  . ASP   A 1 49  ? 8.562   15.237  0.318  1.00 44.22 ? 1069 ASP   A OD1  1 
ATOM   213  O  OD2  . ASP   A 1 49  ? 6.772   16.163  -0.426 1.00 42.58 ? 1069 ASP   A OD2  1 
ATOM   214  N  N    . PRO   A 1 50  ? 11.047  16.279  1.943  1.00 28.76 ? 1070 PRO   A N    1 
ATOM   215  C  CA   . PRO   A 1 50  ? 10.789  14.846  2.088  1.00 27.03 ? 1070 PRO   A CA   1 
ATOM   216  C  C    . PRO   A 1 50  ? 10.955  14.246  3.497  1.00 23.91 ? 1070 PRO   A C    1 
ATOM   217  O  O    . PRO   A 1 50  ? 10.813  13.047  3.634  1.00 23.25 ? 1070 PRO   A O    1 
ATOM   218  C  CB   . PRO   A 1 50  ? 11.856  14.280  1.128  1.00 27.66 ? 1070 PRO   A CB   1 
ATOM   219  C  CG   . PRO   A 1 50  ? 13.044  15.208  1.307  1.00 28.46 ? 1070 PRO   A CG   1 
ATOM   220  C  CD   . PRO   A 1 50  ? 12.439  16.575  1.561  1.00 28.86 ? 1070 PRO   A CD   1 
ATOM   221  N  N    . GLU   A 1 51  ? 11.236  15.057  4.515  1.00 22.92 ? 1071 GLU   A N    1 
ATOM   222  C  CA   . GLU   A 1 51  ? 11.793  14.527  5.789  1.00 23.31 ? 1071 GLU   A CA   1 
ATOM   223  C  C    . GLU   A 1 51  ? 10.781  13.653  6.540  1.00 20.55 ? 1071 GLU   A C    1 
ATOM   224  O  O    . GLU   A 1 51  ? 11.250  12.768  7.275  1.00 21.93 ? 1071 GLU   A O    1 
ATOM   225  C  CB   . GLU   A 1 51  ? 12.365  15.629  6.662  1.00 23.93 ? 1071 GLU   A CB   1 
ATOM   226  C  CG   . GLU   A 1 51  ? 13.578  16.272  6.028  1.00 27.12 ? 1071 GLU   A CG   1 
ATOM   227  C  CD   . GLU   A 1 51  ? 13.263  17.522  5.221  1.00 30.08 ? 1071 GLU   A CD   1 
ATOM   228  O  OE1  . GLU   A 1 51  ? 12.074  17.743  4.867  1.00 28.75 ? 1071 GLU   A OE1  1 
ATOM   229  O  OE2  . GLU   A 1 51  ? 14.198  18.277  4.989  1.00 31.25 ? 1071 GLU   A OE2  1 
ATOM   230  N  N    . SER   A 1 52  ? 9.477   13.820  6.339  1.00 18.16 ? 1072 SER   A N    1 
ATOM   231  C  CA   . SER   A 1 52  ? 8.468   13.028  7.088  1.00 18.10 ? 1072 SER   A CA   1 
ATOM   232  C  C    . SER   A 1 52  ? 8.233   11.679  6.410  1.00 17.56 ? 1072 SER   A C    1 
ATOM   233  O  O    . SER   A 1 52  ? 7.582   10.838  7.025  1.00 16.80 ? 1072 SER   A O    1 
ATOM   234  C  CB   . SER   A 1 52  ? 7.164   13.790  7.265  1.00 17.47 ? 1072 SER   A CB   1 
ATOM   235  O  OG   . SER   A 1 52  ? 6.400   13.814  6.071  1.00 16.67 ? 1072 SER   A OG   1 
ATOM   236  N  N    . LEU   A 1 53  ? 8.711   11.490  5.178  1.00 17.33 ? 1073 LEU   A N    1 
ATOM   237  C  CA   . LEU   A 1 53  ? 8.237   10.370  4.325  1.00 18.24 ? 1073 LEU   A CA   1 
ATOM   238  C  C    . LEU   A 1 53  ? 8.584   9.040   4.969  1.00 17.61 ? 1073 LEU   A C    1 
ATOM   239  O  O    . LEU   A 1 53  ? 7.741   8.149   5.011  1.00 17.54 ? 1073 LEU   A O    1 
ATOM   240  C  CB   . LEU   A 1 53  ? 8.799   10.479  2.897  1.00 21.55 ? 1073 LEU   A CB   1 
ATOM   241  C  CG   . LEU   A 1 53  ? 8.145   11.566  2.038  1.00 23.57 ? 1073 LEU   A CG   1 
ATOM   242  C  CD1  . LEU   A 1 53  ? 8.749   11.594  0.636  1.00 25.57 ? 1073 LEU   A CD1  1 
ATOM   243  C  CD2  . LEU   A 1 53  ? 6.648   11.359  1.970  1.00 24.53 ? 1073 LEU   A CD2  1 
ATOM   244  N  N    . PRO   A 1 54  ? 9.800   8.870   5.528  1.00 16.26 ? 1074 PRO   A N    1 
ATOM   245  C  CA   . PRO   A 1 54  ? 10.135  7.626   6.208  1.00 15.17 ? 1074 PRO   A CA   1 
ATOM   246  C  C    . PRO   A 1 54  ? 9.268   7.339   7.449  1.00 16.10 ? 1074 PRO   A C    1 
ATOM   247  O  O    . PRO   A 1 54  ? 9.176   6.175   7.822  1.00 15.19 ? 1074 PRO   A O    1 
ATOM   248  C  CB   . PRO   A 1 54  ? 11.585  7.817   6.625  1.00 15.13 ? 1074 PRO   A CB   1 
ATOM   249  C  CG   . PRO   A 1 54  ? 12.088  8.978   5.839  1.00 15.87 ? 1074 PRO   A CG   1 
ATOM   250  C  CD   . PRO   A 1 54  ? 10.891  9.851   5.540  1.00 16.03 ? 1074 PRO   A CD   1 
ATOM   251  N  N    . PHE   A 1 55  ? 8.630   8.369   8.032  1.00 15.25 ? 1075 PHE   A N    1 
ATOM   252  C  CA   . PHE   A 1 55  ? 7.910   8.290   9.332  1.00 16.74 ? 1075 PHE   A CA   1 
ATOM   253  C  C    . PHE   A 1 55  ? 6.391   8.169   9.151  1.00 16.62 ? 1075 PHE   A C    1 
ATOM   254  O  O    . PHE   A 1 55  ? 5.745   8.019   10.170 1.00 13.71 ? 1075 PHE   A O    1 
ATOM   255  C  CB   . PHE   A 1 55  ? 8.245   9.513   10.186 1.00 16.66 ? 1075 PHE   A CB   1 
ATOM   256  C  CG   . PHE   A 1 55  ? 9.722   9.625   10.417 1.00 17.83 ? 1075 PHE   A CG   1 
ATOM   257  C  CD1  . PHE   A 1 55  ? 10.325  8.935   11.456 1.00 19.87 ? 1075 PHE   A CD1  1 
ATOM   258  C  CD2  . PHE   A 1 55  ? 10.527  10.313  9.526  1.00 17.84 ? 1075 PHE   A CD2  1 
ATOM   259  C  CE1  . PHE   A 1 55  ? 11.702  8.986   11.621 1.00 21.24 ? 1075 PHE   A CE1  1 
ATOM   260  C  CE2  . PHE   A 1 55  ? 11.897  10.365  9.693  1.00 18.24 ? 1075 PHE   A CE2  1 
ATOM   261  C  CZ   . PHE   A 1 55  ? 12.491  9.677   10.719 1.00 19.69 ? 1075 PHE   A CZ   1 
ATOM   262  N  N    . ARG   A 1 56  ? 5.857   8.209   7.927  1.00 16.65 ? 1076 ARG   A N    1 
ATOM   263  C  CA   . ARG   A 1 56  ? 4.388   8.307   7.720  1.00 19.88 ? 1076 ARG   A CA   1 
ATOM   264  C  C    . ARG   A 1 56  ? 3.711   6.974   7.989  1.00 20.66 ? 1076 ARG   A C    1 
ATOM   265  O  O    . ARG   A 1 56  ? 2.526   7.002   8.319  1.00 25.39 ? 1076 ARG   A O    1 
ATOM   266  C  CB   . ARG   A 1 56  ? 4.051   8.829   6.330  1.00 19.62 ? 1076 ARG   A CB   1 
ATOM   267  C  CG   . ARG   A 1 56  ? 4.310   10.319  6.250  1.00 21.37 ? 1076 ARG   A CG   1 
ATOM   268  C  CD   . ARG   A 1 56  ? 4.046   10.798  4.848  1.00 23.58 ? 1076 ARG   A CD   1 
ATOM   269  N  NE   . ARG   A 1 56  ? 4.344   12.212  4.817  1.00 24.88 ? 1076 ARG   A NE   1 
ATOM   270  C  CZ   . ARG   A 1 56  ? 4.015   13.024  3.834  1.00 29.34 ? 1076 ARG   A CZ   1 
ATOM   271  N  NH1  . ARG   A 1 56  ? 3.386   12.547  2.770  1.00 30.16 ? 1076 ARG   A NH1  1 
ATOM   272  N  NH2  . ARG   A 1 56  ? 4.316   14.310  3.923  1.00 31.64 ? 1076 ARG   A NH2  1 
ATOM   273  N  N    . GLN   A 1 57  ? 4.408   5.860   7.831  1.00 19.53 ? 1077 GLN   A N    1 
ATOM   274  C  CA   . GLN   A 1 57  ? 3.768   4.539   7.967  1.00 21.14 ? 1077 GLN   A CA   1 
ATOM   275  C  C    . GLN   A 1 57  ? 4.683   3.698   8.821  1.00 20.31 ? 1077 GLN   A C    1 
ATOM   276  O  O    . GLN   A 1 57  ? 5.872   3.977   8.916  1.00 18.27 ? 1077 GLN   A O    1 
ATOM   277  C  CB   . GLN   A 1 57  ? 3.518   3.886   6.604  1.00 24.24 ? 1077 GLN   A CB   1 
ATOM   278  C  CG   . GLN   A 1 57  ? 2.510   4.624   5.734  1.00 25.82 ? 1077 GLN   A CG   1 
ATOM   279  C  CD   . GLN   A 1 57  ? 1.125   4.611   6.333  1.00 28.24 ? 1077 GLN   A CD   1 
ATOM   280  O  OE1  . GLN   A 1 57  ? 0.671   3.612   6.869  1.00 31.48 ? 1077 GLN   A OE1  1 
ATOM   281  N  NE2  . GLN   A 1 57  ? 0.440   5.740   6.269  1.00 34.86 ? 1077 GLN   A NE2  1 
ATOM   282  N  N    . PRO   A 1 58  ? 4.135   2.682   9.492  1.00 20.89 ? 1078 PRO   A N    1 
ATOM   283  C  CA   . PRO   A 1 58  ? 4.968   1.774   10.261 1.00 23.14 ? 1078 PRO   A CA   1 
ATOM   284  C  C    . PRO   A 1 58  ? 6.111   1.269   9.370  1.00 22.59 ? 1078 PRO   A C    1 
ATOM   285  O  O    . PRO   A 1 58  ? 5.907   1.023   8.187  1.00 24.16 ? 1078 PRO   A O    1 
ATOM   286  C  CB   . PRO   A 1 58  ? 3.979   0.659   10.645 1.00 22.68 ? 1078 PRO   A CB   1 
ATOM   287  C  CG   . PRO   A 1 58  ? 2.644   1.354   10.669 1.00 22.83 ? 1078 PRO   A CG   1 
ATOM   288  C  CD   . PRO   A 1 58  ? 2.713   2.293   9.484  1.00 22.86 ? 1078 PRO   A CD   1 
ATOM   289  N  N    . VAL   A 1 59  ? 7.297   1.161   9.948  1.00 22.39 ? 1079 VAL   A N    1 
ATOM   290  C  CA   . VAL   A 1 59  ? 8.473   0.509   9.317  1.00 20.50 ? 1079 VAL   A CA   1 
ATOM   291  C  C    . VAL   A 1 59  ? 8.089   -0.938  9.016  1.00 20.22 ? 1079 VAL   A C    1 
ATOM   292  O  O    . VAL   A 1 59  ? 7.674   -1.652  9.929  1.00 16.84 ? 1079 VAL   A O    1 
ATOM   293  C  CB   . VAL   A 1 59  ? 9.724   0.583   10.209 1.00 21.60 ? 1079 VAL   A CB   1 
ATOM   294  C  CG1  . VAL   A 1 59  ? 10.814  -0.364  9.719  1.00 19.70 ? 1079 VAL   A CG1  1 
ATOM   295  C  CG2  . VAL   A 1 59  ? 10.231  2.027   10.298 1.00 22.93 ? 1079 VAL   A CG2  1 
ATOM   296  N  N    . ASP   A 1 60  ? 8.225   -1.304  7.749  1.00 20.72 ? 1080 ASP   A N    1 
ATOM   297  C  CA   . ASP   A 1 60  ? 8.032   -2.675  7.212  1.00 21.54 ? 1080 ASP   A CA   1 
ATOM   298  C  C    . ASP   A 1 60  ? 9.412   -3.225  6.854  1.00 18.33 ? 1080 ASP   A C    1 
ATOM   299  O  O    . ASP   A 1 60  ? 9.935   -2.952  5.784  1.00 17.87 ? 1080 ASP   A O    1 
ATOM   300  C  CB   . ASP   A 1 60  ? 7.118   -2.604  5.993  1.00 22.55 ? 1080 ASP   A CB   1 
ATOM   301  C  CG   . ASP   A 1 60  ? 6.791   -3.971  5.430  1.00 24.70 ? 1080 ASP   A CG   1 
ATOM   302  O  OD1  . ASP   A 1 60  ? 7.525   -4.961  5.723  1.00 24.96 ? 1080 ASP   A OD1  1 
ATOM   303  O  OD2  . ASP   A 1 60  ? 5.822   -4.024  4.696  1.00 31.88 ? 1080 ASP   A OD2  1 
ATOM   304  N  N    . PRO   A 1 61  ? 10.084  -3.955  7.756  1.00 18.48 ? 1081 PRO   A N    1 
ATOM   305  C  CA   . PRO   A 1 61  ? 11.488  -4.289  7.546  1.00 18.94 ? 1081 PRO   A CA   1 
ATOM   306  C  C    . PRO   A 1 61  ? 11.684  -5.120  6.270  1.00 20.60 ? 1081 PRO   A C    1 
ATOM   307  O  O    . PRO   A 1 61  ? 12.718  -4.978  5.614  1.00 19.88 ? 1081 PRO   A O    1 
ATOM   308  C  CB   . PRO   A 1 61  ? 11.833  -5.076  8.807  1.00 19.14 ? 1081 PRO   A CB   1 
ATOM   309  C  CG   . PRO   A 1 61  ? 10.852  -4.552  9.821  1.00 19.39 ? 1081 PRO   A CG   1 
ATOM   310  C  CD   . PRO   A 1 61  ? 9.565   -4.462  9.033  1.00 18.95 ? 1081 PRO   A CD   1 
ATOM   311  N  N    . GLN   A 1 62  ? 10.686  -5.945  5.947  1.00 20.19 ? 1082 GLN   A N    1 
ATOM   312  C  CA   . GLN   A 1 62  ? 10.691  -6.862  4.784  1.00 23.74 ? 1082 GLN   A CA   1 
ATOM   313  C  C    . GLN   A 1 62  ? 10.615  -6.024  3.512  1.00 19.19 ? 1082 GLN   A C    1 
ATOM   314  O  O    . GLN   A 1 62  ? 11.451  -6.178  2.650  1.00 19.00 ? 1082 GLN   A O    1 
ATOM   315  C  CB   . GLN   A 1 62  ? 9.494   -7.813  4.873  1.00 29.89 ? 1082 GLN   A CB   1 
ATOM   316  C  CG   . GLN   A 1 62  ? 9.477   -8.636  6.158  1.00 36.69 ? 1082 GLN   A CG   1 
ATOM   317  C  CD   . GLN   A 1 62  ? 8.312   -9.596  6.186  1.00 45.79 ? 1082 GLN   A CD   1 
ATOM   318  O  OE1  . GLN   A 1 62  ? 7.146   -9.201  6.074  1.00 57.06 ? 1082 GLN   A OE1  1 
ATOM   319  N  NE2  . GLN   A 1 62  ? 8.621   -10.878 6.322  1.00 51.00 ? 1082 GLN   A NE2  1 
ATOM   320  N  N    . LEU   A 1 63  ? 9.643   -5.124  3.445  1.00 18.43 ? 1083 LEU   A N    1 
ATOM   321  C  CA   . LEU   A 1 63  ? 9.486   -4.219  2.294  1.00 20.52 ? 1083 LEU   A CA   1 
ATOM   322  C  C    . LEU   A 1 63  ? 10.784  -3.422  2.123  1.00 19.73 ? 1083 LEU   A C    1 
ATOM   323  O  O    . LEU   A 1 63  ? 11.207  -3.231  0.979  1.00 20.59 ? 1083 LEU   A O    1 
ATOM   324  C  CB   . LEU   A 1 63  ? 8.270   -3.320  2.518  1.00 20.84 ? 1083 LEU   A CB   1 
ATOM   325  C  CG   . LEU   A 1 63  ? 8.146   -2.129  1.564  1.00 23.60 ? 1083 LEU   A CG   1 
ATOM   326  C  CD1  . LEU   A 1 63  ? 7.797   -2.571  0.155  1.00 24.42 ? 1083 LEU   A CD1  1 
ATOM   327  C  CD2  . LEU   A 1 63  ? 7.103   -1.135  2.069  1.00 24.42 ? 1083 LEU   A CD2  1 
ATOM   328  N  N    . LEU   A 1 64  ? 11.407  -2.988  3.215  1.00 18.99 ? 1084 LEU   A N    1 
ATOM   329  C  CA   . LEU   A 1 64  ? 12.536  -2.021  3.139  1.00 19.01 ? 1084 LEU   A CA   1 
ATOM   330  C  C    . LEU   A 1 64  ? 13.862  -2.743  3.071  1.00 17.88 ? 1084 LEU   A C    1 
ATOM   331  O  O    . LEU   A 1 64  ? 14.852  -2.061  2.892  1.00 20.55 ? 1084 LEU   A O    1 
ATOM   332  C  CB   . LEU   A 1 64  ? 12.511  -1.102  4.353  1.00 18.57 ? 1084 LEU   A CB   1 
ATOM   333  C  CG   . LEU   A 1 64  ? 11.246  -0.279  4.484  1.00 18.94 ? 1084 LEU   A CG   1 
ATOM   334  C  CD1  . LEU   A 1 64  ? 11.262  0.473   5.798  1.00 20.74 ? 1084 LEU   A CD1  1 
ATOM   335  C  CD2  . LEU   A 1 64  ? 11.091  0.673   3.325  1.00 20.97 ? 1084 LEU   A CD2  1 
ATOM   336  N  N    . GLY   A 1 65  ? 13.865  -4.053  3.249  1.00 19.99 ? 1085 GLY   A N    1 
ATOM   337  C  CA   . GLY   A 1 65  ? 15.099  -4.843  3.213  1.00 22.46 ? 1085 GLY   A CA   1 
ATOM   338  C  C    . GLY   A 1 65  ? 15.983  -4.509  4.406  1.00 22.56 ? 1085 GLY   A C    1 
ATOM   339  O  O    . GLY   A 1 65  ? 17.207  -4.427  4.220  1.00 24.69 ? 1085 GLY   A O    1 
ATOM   340  N  N    . ILE   A 1 66  ? 15.394  -4.325  5.592  1.00 21.88 ? 1086 ILE   A N    1 
ATOM   341  C  CA   . ILE   A 1 66  ? 16.160  -4.072  6.848  1.00 20.18 ? 1086 ILE   A CA   1 
ATOM   342  C  C    . ILE   A 1 66  ? 15.733  -5.105  7.878  1.00 19.72 ? 1086 ILE   A C    1 
ATOM   343  O  O    . ILE   A 1 66  ? 15.139  -4.789  8.907  1.00 19.69 ? 1086 ILE   A O    1 
ATOM   344  C  CB   . ILE   A 1 66  ? 15.991  -2.613  7.306  1.00 20.46 ? 1086 ILE   A CB   1 
ATOM   345  C  CG1  . ILE   A 1 66  ? 14.531  -2.222  7.550  1.00 20.13 ? 1086 ILE   A CG1  1 
ATOM   346  C  CG2  . ILE   A 1 66  ? 16.672  -1.670  6.311  1.00 20.80 ? 1086 ILE   A CG2  1 
ATOM   347  C  CD1  . ILE   A 1 66  ? 14.352  -0.780  7.987  1.00 19.90 ? 1086 ILE   A CD1  1 
ATOM   348  N  N    . PRO   A 1 67  ? 16.060  -6.391  7.648  1.00 19.34 ? 1087 PRO   A N    1 
ATOM   349  C  CA   . PRO   A 1 67  ? 15.566  -7.457  8.517  1.00 20.05 ? 1087 PRO   A CA   1 
ATOM   350  C  C    . PRO   A 1 67  ? 16.094  -7.383  9.960  1.00 19.56 ? 1087 PRO   A C    1 
ATOM   351  O  O    . PRO   A 1 67  ? 15.552  -8.037  10.805 1.00 19.92 ? 1087 PRO   A O    1 
ATOM   352  C  CB   . PRO   A 1 67  ? 16.023  -8.773  7.839  1.00 21.31 ? 1087 PRO   A CB   1 
ATOM   353  C  CG   . PRO   A 1 67  ? 17.022  -8.378  6.753  1.00 21.39 ? 1087 PRO   A CG   1 
ATOM   354  C  CD   . PRO   A 1 67  ? 16.905  -6.880  6.542  1.00 21.76 ? 1087 PRO   A CD   1 
ATOM   355  N  N    . ASP   A 1 68  ? 17.121  -6.576  10.253 1.00 17.26 ? 1088 ASP   A N    1 
ATOM   356  C  CA   . ASP   A 1 68  ? 17.575  -6.437  11.661 1.00 15.78 ? 1088 ASP   A CA   1 
ATOM   357  C  C    . ASP   A 1 68  ? 16.691  -5.413  12.401 1.00 14.46 ? 1088 ASP   A C    1 
ATOM   358  O  O    . ASP   A 1 68  ? 16.911  -5.263  13.602 1.00 15.65 ? 1088 ASP   A O    1 
ATOM   359  C  CB   . ASP   A 1 68  ? 19.066  -6.111  11.745 1.00 15.55 ? 1088 ASP   A CB   1 
ATOM   360  C  CG   . ASP   A 1 68  ? 19.418  -4.762  11.110 1.00 16.78 ? 1088 ASP   A CG   1 
ATOM   361  O  OD1  . ASP   A 1 68  ? 18.685  -4.319  10.189 1.00 16.47 ? 1088 ASP   A OD1  1 
ATOM   362  O  OD2  . ASP   A 1 68  ? 20.412  -4.151  11.556 1.00 19.68 ? 1088 ASP   A OD2  1 
ATOM   363  N  N    . TYR   A 1 69  ? 15.718  -4.748  11.768 1.00 14.15 ? 1089 TYR   A N    1 
ATOM   364  C  CA   . TYR   A 1 69  ? 15.010  -3.586  12.384 1.00 13.91 ? 1089 TYR   A CA   1 
ATOM   365  C  C    . TYR   A 1 69  ? 14.450  -3.951  13.773 1.00 14.97 ? 1089 TYR   A C    1 
ATOM   366  O  O    . TYR   A 1 69  ? 14.760  -3.246  14.763 1.00 14.24 ? 1089 TYR   A O    1 
ATOM   367  C  CB   . TYR   A 1 69  ? 13.905  -3.018  11.491 1.00 13.56 ? 1089 TYR   A CB   1 
ATOM   368  C  CG   . TYR   A 1 69  ? 13.317  -1.739  12.042 1.00 13.69 ? 1089 TYR   A CG   1 
ATOM   369  C  CD1  . TYR   A 1 69  ? 13.988  -0.542  11.909 1.00 13.73 ? 1089 TYR   A CD1  1 
ATOM   370  C  CD2  . TYR   A 1 69  ? 12.111  -1.729  12.725 1.00 13.52 ? 1089 TYR   A CD2  1 
ATOM   371  C  CE1  . TYR   A 1 69  ? 13.472  0.641   12.415 1.00 15.15 ? 1089 TYR   A CE1  1 
ATOM   372  C  CE2  . TYR   A 1 69  ? 11.600  -0.562  13.272 1.00 14.52 ? 1089 TYR   A CE2  1 
ATOM   373  C  CZ   . TYR   A 1 69  ? 12.270  0.633   13.105 1.00 15.10 ? 1089 TYR   A CZ   1 
ATOM   374  O  OH   . TYR   A 1 69  ? 11.759  1.784   13.626 1.00 17.19 ? 1089 TYR   A OH   1 
ATOM   375  N  N    . PHE   A 1 70  ? 13.692  -5.043  13.884 1.00 14.61 ? 1090 PHE   A N    1 
ATOM   376  C  CA   . PHE   A 1 70  ? 13.019  -5.469  15.139 1.00 17.18 ? 1090 PHE   A CA   1 
ATOM   377  C  C    . PHE   A 1 70  ? 14.024  -6.116  16.121 1.00 18.52 ? 1090 PHE   A C    1 
ATOM   378  O  O    . PHE   A 1 70  ? 13.685  -6.228  17.316 1.00 19.33 ? 1090 PHE   A O    1 
ATOM   379  C  CB   . PHE   A 1 70  ? 11.784  -6.341  14.846 1.00 17.29 ? 1090 PHE   A CB   1 
ATOM   380  C  CG   . PHE   A 1 70  ? 10.633  -5.678  14.110 1.00 17.34 ? 1090 PHE   A CG   1 
ATOM   381  C  CD1  . PHE   A 1 70  ? 10.299  -4.348  14.318 1.00 17.10 ? 1090 PHE   A CD1  1 
ATOM   382  C  CD2  . PHE   A 1 70  ? 9.828   -6.417  13.251 1.00 18.34 ? 1090 PHE   A CD2  1 
ATOM   383  C  CE1  . PHE   A 1 70  ? 9.226   -3.758  13.666 1.00 17.73 ? 1090 PHE   A CE1  1 
ATOM   384  C  CE2  . PHE   A 1 70  ? 8.752   -5.828  12.594 1.00 19.11 ? 1090 PHE   A CE2  1 
ATOM   385  C  CZ   . PHE   A 1 70  ? 8.483   -4.483  12.764 1.00 18.62 ? 1090 PHE   A CZ   1 
ATOM   386  N  N    . ASP   A 1 71  ? 15.241  -6.478  15.714 1.00 18.23 ? 1091 ASP   A N    1 
ATOM   387  C  CA   . ASP   A 1 71  ? 16.288  -6.810  16.712 1.00 20.70 ? 1091 ASP   A CA   1 
ATOM   388  C  C    . ASP   A 1 71  ? 16.637  -5.550  17.507 1.00 19.72 ? 1091 ASP   A C    1 
ATOM   389  O  O    . ASP   A 1 71  ? 17.056  -5.705  18.626 1.00 18.47 ? 1091 ASP   A O    1 
ATOM   390  C  CB   . ASP   A 1 71  ? 17.613  -7.276  16.113 1.00 24.03 ? 1091 ASP   A CB   1 
ATOM   391  C  CG   . ASP   A 1 71  ? 17.469  -8.520  15.269 1.00 27.71 ? 1091 ASP   A CG   1 
ATOM   392  O  OD1  . ASP   A 1 71  ? 16.344  -9.062  15.213 1.00 29.10 ? 1091 ASP   A OD1  1 
ATOM   393  O  OD2  . ASP   A 1 71  ? 18.475  -8.906  14.628 1.00 36.18 ? 1091 ASP   A OD2  1 
ATOM   394  N  N    . ILE   A 1 72  ? 16.541  -4.365  16.900 1.00 16.97 ? 1092 ILE   A N    1 
ATOM   395  C  CA   . ILE   A 1 72  ? 17.091  -3.117  17.493 1.00 15.99 ? 1092 ILE   A CA   1 
ATOM   396  C  C    . ILE   A 1 72  ? 15.941  -2.297  18.083 1.00 15.16 ? 1092 ILE   A C    1 
ATOM   397  O  O    . ILE   A 1 72  ? 16.042  -1.808  19.184 1.00 15.35 ? 1092 ILE   A O    1 
ATOM   398  C  CB   . ILE   A 1 72  ? 17.909  -2.395  16.410 1.00 16.72 ? 1092 ILE   A CB   1 
ATOM   399  C  CG1  . ILE   A 1 72  ? 19.155  -3.225  16.080 1.00 18.53 ? 1092 ILE   A CG1  1 
ATOM   400  C  CG2  . ILE   A 1 72  ? 18.282  -0.969  16.818 1.00 17.50 ? 1092 ILE   A CG2  1 
ATOM   401  C  CD1  . ILE   A 1 72  ? 19.850  -2.816  14.817 1.00 19.19 ? 1092 ILE   A CD1  1 
ATOM   402  N  N    . VAL   A 1 73  ? 14.842  -2.207  17.375 1.00 14.09 ? 1093 VAL   A N    1 
ATOM   403  C  CA   . VAL   A 1 73  ? 13.678  -1.403  17.807 1.00 15.45 ? 1093 VAL   A CA   1 
ATOM   404  C  C    . VAL   A 1 73  ? 12.604  -2.356  18.319 1.00 15.49 ? 1093 VAL   A C    1 
ATOM   405  O  O    . VAL   A 1 73  ? 12.028  -3.068  17.495 1.00 15.88 ? 1093 VAL   A O    1 
ATOM   406  C  CB   . VAL   A 1 73  ? 13.197  -0.553  16.625 1.00 14.00 ? 1093 VAL   A CB   1 
ATOM   407  C  CG1  . VAL   A 1 73  ? 11.937  0.234   16.940 1.00 14.45 ? 1093 VAL   A CG1  1 
ATOM   408  C  CG2  . VAL   A 1 73  ? 14.317  0.341   16.167 1.00 14.60 ? 1093 VAL   A CG2  1 
ATOM   409  N  N    . LYS   A 1 74  ? 12.333  -2.306  19.619 1.00 15.92 ? 1094 LYS   A N    1 
ATOM   410  C  CA   . LYS   A 1 74  ? 11.352  -3.186  20.293 1.00 18.15 ? 1094 LYS   A CA   1 
ATOM   411  C  C    . LYS   A 1 74  ? 10.020  -2.457  20.479 1.00 18.00 ? 1094 LYS   A C    1 
ATOM   412  O  O    . LYS   A 1 74  ? 9.019   -3.175  20.653 1.00 18.52 ? 1094 LYS   A O    1 
ATOM   413  C  CB   . LYS   A 1 74  ? 11.914  -3.700  21.619 1.00 18.89 ? 1094 LYS   A CB   1 
ATOM   414  C  CG   . LYS   A 1 74  ? 13.206  -4.486  21.477 1.00 20.56 ? 1094 LYS   A CG   1 
ATOM   415  C  CD   . LYS   A 1 74  ? 13.011  -5.620  20.513 1.00 21.71 ? 1094 LYS   A CD   1 
ATOM   416  C  CE   . LYS   A 1 74  ? 14.073  -6.672  20.660 1.00 22.55 ? 1094 LYS   A CE   1 
ATOM   417  N  NZ   . LYS   A 1 74  ? 13.874  -7.686  19.610 1.00 22.71 ? 1094 LYS   A NZ   1 
ATOM   418  N  N    . SER   A 1 75  ? 9.968   -1.124  20.362 1.00 18.21 ? 1095 SER   A N    1 
ATOM   419  C  CA   . SER   A 1 75  ? 8.694   -0.354  20.380 1.00 18.33 ? 1095 SER   A CA   1 
ATOM   420  C  C    . SER   A 1 75  ? 8.594   0.566   19.172 1.00 17.22 ? 1095 SER   A C    1 
ATOM   421  O  O    . SER   A 1 75  ? 8.744   1.777   19.286 1.00 16.02 ? 1095 SER   A O    1 
ATOM   422  C  CB   . SER   A 1 75  ? 8.541   0.440   21.641 1.00 20.92 ? 1095 SER   A CB   1 
ATOM   423  O  OG   . SER   A 1 75  ? 9.040   -0.273  22.735 1.00 22.63 ? 1095 SER   A OG   1 
ATOM   424  N  N    . PRO   A 1 76  ? 8.240   0.031   17.993 1.00 18.83 ? 1096 PRO   A N    1 
ATOM   425  C  CA   . PRO   A 1 76  ? 8.160   0.834   16.784 1.00 17.91 ? 1096 PRO   A CA   1 
ATOM   426  C  C    . PRO   A 1 76  ? 7.070   1.878   16.969 1.00 16.92 ? 1096 PRO   A C    1 
ATOM   427  O  O    . PRO   A 1 76  ? 6.111   1.666   17.664 1.00 14.78 ? 1096 PRO   A O    1 
ATOM   428  C  CB   . PRO   A 1 76  ? 7.733   -0.152  15.696 1.00 19.34 ? 1096 PRO   A CB   1 
ATOM   429  C  CG   . PRO   A 1 76  ? 8.125   -1.492  16.297 1.00 21.78 ? 1096 PRO   A CG   1 
ATOM   430  C  CD   . PRO   A 1 76  ? 7.790   -1.348  17.760 1.00 19.59 ? 1096 PRO   A CD   1 
ATOM   431  N  N    . MET   A 1 77  ? 7.257   3.017   16.347 1.00 16.65 ? 1097 MET   A N    1 
ATOM   432  C  CA   . MET   A 1 77  ? 6.251   4.076   16.431 1.00 17.19 ? 1097 MET   A CA   1 
ATOM   433  C  C    . MET   A 1 77  ? 6.383   4.874   15.147 1.00 17.38 ? 1097 MET   A C    1 
ATOM   434  O  O    . MET   A 1 77  ? 7.490   4.916   14.591 1.00 17.82 ? 1097 MET   A O    1 
ATOM   435  C  CB   . MET   A 1 77  ? 6.520   4.927   17.676 1.00 18.18 ? 1097 MET   A CB   1 
ATOM   436  C  CG   . MET   A 1 77  ? 5.437   5.961   17.947 1.00 18.04 ? 1097 MET   A CG   1 
ATOM   437  S  SD   . MET   A 1 77  ? 3.730   5.339   17.940 1.00 19.88 ? 1097 MET   A SD   1 
ATOM   438  C  CE   . MET   A 1 77  ? 3.819   4.110   19.249 1.00 19.24 ? 1097 MET   A CE   1 
ATOM   439  N  N    . ASP   A 1 78  ? 5.276   5.386   14.636 1.00 17.16 ? 1098 ASP   A N    1 
ATOM   440  C  CA   . ASP   A 1 78  ? 5.293   6.196   13.405 1.00 17.56 ? 1098 ASP   A CA   1 
ATOM   441  C  C    . ASP   A 1 78  ? 4.133   7.185   13.462 1.00 17.16 ? 1098 ASP   A C    1 
ATOM   442  O  O    . ASP   A 1 78  ? 3.264   7.026   14.328 1.00 17.41 ? 1098 ASP   A O    1 
ATOM   443  C  CB   . ASP   A 1 78  ? 5.226   5.272   12.195 1.00 19.13 ? 1098 ASP   A CB   1 
ATOM   444  C  CG   . ASP   A 1 78  ? 3.847   4.691   12.049 1.00 22.47 ? 1098 ASP   A CG   1 
ATOM   445  O  OD1  . ASP   A 1 78  ? 3.443   3.867   12.930 1.00 26.39 ? 1098 ASP   A OD1  1 
ATOM   446  O  OD2  . ASP   A 1 78  ? 3.153   5.145   11.127 1.00 28.92 ? 1098 ASP   A OD2  1 
ATOM   447  N  N    . LEU   A 1 79  ? 4.130   8.148   12.551 1.00 16.92 ? 1099 LEU   A N    1 
ATOM   448  C  CA   . LEU   A 1 79  ? 3.145   9.253   12.525 1.00 17.54 ? 1099 LEU   A CA   1 
ATOM   449  C  C    . LEU   A 1 79  ? 1.727   8.678   12.397 1.00 18.01 ? 1099 LEU   A C    1 
ATOM   450  O  O    . LEU   A 1 79  ? 0.869   9.223   13.058 1.00 16.31 ? 1099 LEU   A O    1 
ATOM   451  C  CB   . LEU   A 1 79  ? 3.469   10.242  11.408 1.00 16.86 ? 1099 LEU   A CB   1 
ATOM   452  C  CG   . LEU   A 1 79  ? 4.797   10.990  11.550 1.00 18.19 ? 1099 LEU   A CG   1 
ATOM   453  C  CD1  . LEU   A 1 79  ? 5.111   11.781  10.284 1.00 20.89 ? 1099 LEU   A CD1  1 
ATOM   454  C  CD2  . LEU   A 1 79  ? 4.791   11.934  12.727 1.00 18.64 ? 1099 LEU   A CD2  1 
ATOM   455  N  N    . SER   A 1 80  ? 1.485   7.611   11.624 1.00 19.07 ? 1100 SER   A N    1 
ATOM   456  C  CA   . SER   A 1 80  ? 0.102   7.120   11.385 1.00 19.33 ? 1100 SER   A CA   1 
ATOM   457  C  C    . SER   A 1 80  ? -0.430  6.473   12.669 1.00 19.59 ? 1100 SER   A C    1 
ATOM   458  O  O    . SER   A 1 80  ? -1.612  6.639   12.972 1.00 20.05 ? 1100 SER   A O    1 
ATOM   459  C  CB   . SER   A 1 80  ? 0.004   6.175   10.230 1.00 19.20 ? 1100 SER   A CB   1 
ATOM   460  O  OG   . SER   A 1 80  ? 0.614   4.946   10.555 1.00 19.46 ? 1100 SER   A OG   1 
ATOM   461  N  N    . THR   A 1 81  ? 0.426   5.789   13.417 1.00 19.73 ? 1101 THR   A N    1 
ATOM   462  C  CA   . THR   A 1 81  ? 0.067   5.196   14.721 1.00 19.88 ? 1101 THR   A CA   1 
ATOM   463  C  C    . THR   A 1 81  ? -0.291  6.331   15.673 1.00 19.10 ? 1101 THR   A C    1 
ATOM   464  O  O    . THR   A 1 81  ? -1.328  6.255   16.327 1.00 18.26 ? 1101 THR   A O    1 
ATOM   465  C  CB   . THR   A 1 81  ? 1.202   4.336   15.257 1.00 23.22 ? 1101 THR   A CB   1 
ATOM   466  O  OG1  . THR   A 1 81  ? 1.435   3.335   14.267 1.00 24.33 ? 1101 THR   A OG1  1 
ATOM   467  C  CG2  . THR   A 1 81  ? 0.867   3.703   16.591 1.00 24.84 ? 1101 THR   A CG2  1 
ATOM   468  N  N    . ILE   A 1 82  ? 0.516   7.382   15.684 1.00 17.73 ? 1102 ILE   A N    1 
ATOM   469  C  CA   . ILE   A 1 82  ? 0.306   8.537   16.583 1.00 17.36 ? 1102 ILE   A CA   1 
ATOM   470  C  C    . ILE   A 1 82  ? -0.989  9.223   16.172 1.00 17.67 ? 1102 ILE   A C    1 
ATOM   471  O  O    . ILE   A 1 82  ? -1.779  9.592   17.079 1.00 16.09 ? 1102 ILE   A O    1 
ATOM   472  C  CB   . ILE   A 1 82  ? 1.503   9.504   16.614 1.00 16.24 ? 1102 ILE   A CB   1 
ATOM   473  C  CG1  . ILE   A 1 82  ? 2.750   8.832   17.201 1.00 16.39 ? 1102 ILE   A CG1  1 
ATOM   474  C  CG2  . ILE   A 1 82  ? 1.128   10.751  17.396 1.00 16.00 ? 1102 ILE   A CG2  1 
ATOM   475  C  CD1  . ILE   A 1 82  ? 4.026   9.634   17.018 1.00 16.29 ? 1102 ILE   A CD1  1 
ATOM   476  N  N    . LYS   A 1 83  ? -1.229  9.383   14.874 1.00 19.82 ? 1103 LYS   A N    1 
ATOM   477  C  CA   . LYS   A 1 83  ? -2.478  10.032  14.395 1.00 20.50 ? 1103 LYS   A CA   1 
ATOM   478  C  C    . LYS   A 1 83  ? -3.684  9.174   14.809 1.00 17.60 ? 1103 LYS   A C    1 
ATOM   479  O  O    . LYS   A 1 83  ? -4.605  9.722   15.366 1.00 18.42 ? 1103 LYS   A O    1 
ATOM   480  C  CB   . LYS   A 1 83  ? -2.490  10.262  12.887 1.00 23.24 ? 1103 LYS   A CB   1 
ATOM   481  C  CG   . LYS   A 1 83  ? -3.570  11.240  12.451 1.00 27.67 ? 1103 LYS   A CG   1 
ATOM   482  C  CD   . LYS   A 1 83  ? -4.010  11.076  11.031 1.00 34.39 ? 1103 LYS   A CD   1 
ATOM   483  C  CE   . LYS   A 1 83  ? -2.904  11.277  10.020 1.00 40.25 ? 1103 LYS   A CE   1 
ATOM   484  N  NZ   . LYS   A 1 83  ? -2.383  9.976   9.522  1.00 42.13 ? 1103 LYS   A NZ   1 
ATOM   485  N  N    . ARG   A 1 84  ? -3.653  7.867   14.596 1.00 17.58 ? 1104 ARG   A N    1 
ATOM   486  C  CA   . ARG   A 1 84  ? -4.746  6.943   15.015 1.00 18.38 ? 1104 ARG   A CA   1 
ATOM   487  C  C    . ARG   A 1 84  ? -5.036  7.094   16.525 1.00 19.30 ? 1104 ARG   A C    1 
ATOM   488  O  O    . ARG   A 1 84  ? -6.235  7.188   16.923 1.00 16.94 ? 1104 ARG   A O    1 
ATOM   489  C  CB   . ARG   A 1 84  ? -4.371  5.516   14.606 1.00 21.41 ? 1104 ARG   A CB   1 
ATOM   490  C  CG   . ARG   A 1 84  ? -5.346  4.459   15.098 1.00 24.28 ? 1104 ARG   A CG   1 
ATOM   491  C  CD   . ARG   A 1 84  ? -4.831  3.054   14.882 1.00 28.04 ? 1104 ARG   A CD   1 
ATOM   492  N  NE   . ARG   A 1 84  ? -4.506  2.864   13.470 1.00 33.50 ? 1104 ARG   A NE   1 
ATOM   493  C  CZ   . ARG   A 1 84  ? -3.281  2.619   12.968 1.00 30.57 ? 1104 ARG   A CZ   1 
ATOM   494  N  NH1  . ARG   A 1 84  ? -3.137  2.539   11.660 1.00 30.46 ? 1104 ARG   A NH1  1 
ATOM   495  N  NH2  . ARG   A 1 84  ? -2.222  2.449   13.749 1.00 30.45 ? 1104 ARG   A NH2  1 
ATOM   496  N  N    . LYS   A 1 85  ? -3.997  7.105   17.365 1.00 19.79 ? 1105 LYS   A N    1 
ATOM   497  C  CA   . LYS   A 1 85  ? -4.123  7.252   18.845 1.00 19.71 ? 1105 LYS   A CA   1 
ATOM   498  C  C    . LYS   A 1 85  ? -4.776  8.599   19.196 1.00 20.79 ? 1105 LYS   A C    1 
ATOM   499  O  O    . LYS   A 1 85  ? -5.671  8.611   20.052 1.00 20.59 ? 1105 LYS   A O    1 
ATOM   500  C  CB   . LYS   A 1 85  ? -2.761  7.009   19.501 1.00 20.18 ? 1105 LYS   A CB   1 
ATOM   501  C  CG   . LYS   A 1 85  ? -2.311  5.564   19.334 1.00 21.52 ? 1105 LYS   A CG   1 
ATOM   502  C  CD   . LYS   A 1 85  ? -1.015  5.216   20.006 1.00 24.29 ? 1105 LYS   A CD   1 
ATOM   503  C  CE   . LYS   A 1 85  ? -1.088  5.232   21.507 1.00 25.07 ? 1105 LYS   A CE   1 
ATOM   504  N  NZ   . LYS   A 1 85  ? 0.268   5.104   22.074 1.00 28.17 ? 1105 LYS   A NZ   1 
ATOM   505  N  N    . LEU   A 1 86  ? -4.435  9.687   18.516 1.00 19.92 ? 1106 LEU   A N    1 
ATOM   506  C  CA   . LEU   A 1 86  ? -5.126  10.972  18.756 1.00 21.40 ? 1106 LEU   A CA   1 
ATOM   507  C  C    . LEU   A 1 86  ? -6.598  10.818  18.387 1.00 23.27 ? 1106 LEU   A C    1 
ATOM   508  O  O    . LEU   A 1 86  ? -7.425  11.330  19.141 1.00 24.47 ? 1106 LEU   A O    1 
ATOM   509  C  CB   . LEU   A 1 86  ? -4.493  12.090  17.929 1.00 21.35 ? 1106 LEU   A CB   1 
ATOM   510  C  CG   . LEU   A 1 86  ? -3.363  12.859  18.605 1.00 22.65 ? 1106 LEU   A CG   1 
ATOM   511  C  CD1  . LEU   A 1 86  ? -2.730  13.873  17.647 1.00 24.58 ? 1106 LEU   A CD1  1 
ATOM   512  C  CD2  . LEU   A 1 86  ? -3.851  13.565  19.852 1.00 23.97 ? 1106 LEU   A CD2  1 
ATOM   513  N  N    . ASP   A 1 87  ? -6.903  10.182  17.244 1.00 21.96 ? 1107 ASP   A N    1 
ATOM   514  C  CA   . ASP   A 1 87  ? -8.288  10.111  16.700 1.00 22.79 ? 1107 ASP   A CA   1 
ATOM   515  C  C    . ASP   A 1 87  ? -9.153  9.146   17.520 1.00 22.40 ? 1107 ASP   A C    1 
ATOM   516  O  O    . ASP   A 1 87  ? -10.356 9.233   17.375 1.00 22.71 ? 1107 ASP   A O    1 
ATOM   517  C  CB   . ASP   A 1 87  ? -8.296  9.695   15.223 1.00 25.10 ? 1107 ASP   A CB   1 
ATOM   518  C  CG   . ASP   A 1 87  ? -7.695  10.756  14.306 1.00 26.75 ? 1107 ASP   A CG   1 
ATOM   519  O  OD1  . ASP   A 1 87  ? -7.649  11.914  14.727 1.00 27.84 ? 1107 ASP   A OD1  1 
ATOM   520  O  OD2  . ASP   A 1 87  ? -7.224  10.401  13.202 1.00 31.18 ? 1107 ASP   A OD2  1 
ATOM   521  N  N    . THR   A 1 88  ? -8.567  8.237   18.300 1.00 19.12 ? 1108 THR   A N    1 
ATOM   522  C  CA   . THR   A 1 88  ? -9.327  7.273   19.124 1.00 21.35 ? 1108 THR   A CA   1 
ATOM   523  C  C    . THR   A 1 88  ? -9.306  7.721   20.589 1.00 23.14 ? 1108 THR   A C    1 
ATOM   524  O  O    . THR   A 1 88  ? -9.804  6.970   21.446 1.00 22.77 ? 1108 THR   A O    1 
ATOM   525  C  CB   . THR   A 1 88  ? -8.823  5.845   18.885 1.00 20.49 ? 1108 THR   A CB   1 
ATOM   526  O  OG1  . THR   A 1 88  ? -7.406  5.830   19.030 1.00 19.69 ? 1108 THR   A OG1  1 
ATOM   527  C  CG2  . THR   A 1 88  ? -9.208  5.352   17.505 1.00 19.75 ? 1108 THR   A CG2  1 
ATOM   528  N  N    . GLY   A 1 89  ? -8.744  8.908   20.857 1.00 25.05 ? 1109 GLY   A N    1 
ATOM   529  C  CA   . GLY   A 1 89  ? -8.571  9.439   22.222 1.00 23.22 ? 1109 GLY   A CA   1 
ATOM   530  C  C    . GLY   A 1 89  ? -7.764  8.510   23.107 1.00 22.86 ? 1109 GLY   A C    1 
ATOM   531  O  O    . GLY   A 1 89  ? -8.109  8.403   24.279 1.00 20.92 ? 1109 GLY   A O    1 
ATOM   532  N  N    . GLN   A 1 90  ? -6.711  7.859   22.594 1.00 22.32 ? 1110 GLN   A N    1 
ATOM   533  C  CA   . GLN   A 1 90  ? -5.874  6.950   23.417 1.00 21.42 ? 1110 GLN   A CA   1 
ATOM   534  C  C    . GLN   A 1 90  ? -4.843  7.758   24.219 1.00 22.91 ? 1110 GLN   A C    1 
ATOM   535  O  O    . GLN   A 1 90  ? -4.200  7.164   25.084 1.00 23.15 ? 1110 GLN   A O    1 
ATOM   536  C  CB   . GLN   A 1 90  ? -5.206  5.882   22.553 1.00 25.51 ? 1110 GLN   A CB   1 
ATOM   537  C  CG   . GLN   A 1 90  ? -6.166  4.833   21.973 1.00 25.26 ? 1110 GLN   A CG   1 
ATOM   538  C  CD   . GLN   A 1 90  ? -5.395  3.821   21.147 1.00 28.93 ? 1110 GLN   A CD   1 
ATOM   539  O  OE1  . GLN   A 1 90  ? -4.447  3.206   21.634 1.00 27.22 ? 1110 GLN   A OE1  1 
ATOM   540  N  NE2  . GLN   A 1 90  ? -5.736  3.688   19.864 1.00 27.54 ? 1110 GLN   A NE2  1 
ATOM   541  N  N    . TYR   A 1 91  ? -4.645  9.054   23.966 1.00 20.64 ? 1111 TYR   A N    1 
ATOM   542  C  CA   . TYR   A 1 91  ? -3.803  9.889   24.860 1.00 23.69 ? 1111 TYR   A CA   1 
ATOM   543  C  C    . TYR   A 1 91  ? -4.713  10.528  25.927 1.00 24.26 ? 1111 TYR   A C    1 
ATOM   544  O  O    . TYR   A 1 91  ? -5.629  11.228  25.553 1.00 29.07 ? 1111 TYR   A O    1 
ATOM   545  C  CB   . TYR   A 1 91  ? -3.004  10.931  24.068 1.00 21.12 ? 1111 TYR   A CB   1 
ATOM   546  C  CG   . TYR   A 1 91  ? -2.073  10.346  23.039 1.00 20.06 ? 1111 TYR   A CG   1 
ATOM   547  C  CD1  . TYR   A 1 91  ? -1.103  9.432   23.411 1.00 19.60 ? 1111 TYR   A CD1  1 
ATOM   548  C  CD2  . TYR   A 1 91  ? -2.190  10.660  21.695 1.00 19.37 ? 1111 TYR   A CD2  1 
ATOM   549  C  CE1  . TYR   A 1 91  ? -0.244  8.880   22.489 1.00 19.81 ? 1111 TYR   A CE1  1 
ATOM   550  C  CE2  . TYR   A 1 91  ? -1.345  10.103  20.746 1.00 20.13 ? 1111 TYR   A CE2  1 
ATOM   551  C  CZ   . TYR   A 1 91  ? -0.355  9.224   21.153 1.00 19.30 ? 1111 TYR   A CZ   1 
ATOM   552  O  OH   . TYR   A 1 91  ? 0.497   8.649   20.267 1.00 17.38 ? 1111 TYR   A OH   1 
ATOM   553  N  N    . GLN   A 1 92  ? -4.453  10.276  27.202 1.00 27.08 ? 1112 GLN   A N    1 
ATOM   554  C  CA   . GLN   A 1 92  ? -5.152  10.921  28.350 1.00 29.32 ? 1112 GLN   A CA   1 
ATOM   555  C  C    . GLN   A 1 92  ? -4.494  12.258  28.680 1.00 27.85 ? 1112 GLN   A C    1 
ATOM   556  O  O    . GLN   A 1 92  ? -5.196  13.186  29.105 1.00 27.48 ? 1112 GLN   A O    1 
ATOM   557  C  CB   . GLN   A 1 92  ? -5.054  10.026  29.574 1.00 33.65 ? 1112 GLN   A CB   1 
ATOM   558  C  CG   . GLN   A 1 92  ? -5.435  8.594   29.272 1.00 40.28 ? 1112 GLN   A CG   1 
ATOM   559  C  CD   . GLN   A 1 92  ? -6.523  8.237   30.238 1.00 45.19 ? 1112 GLN   A CD   1 
ATOM   560  O  OE1  . GLN   A 1 92  ? -6.268  8.079   31.427 1.00 52.96 ? 1112 GLN   A OE1  1 
ATOM   561  N  NE2  . GLN   A 1 92  ? -7.749  8.201   29.743 1.00 47.08 ? 1112 GLN   A NE2  1 
ATOM   562  N  N    . GLU   A 1 93  ? -3.181  12.337  28.500 1.00 26.94 ? 1113 GLU   A N    1 
ATOM   563  C  CA   . GLU   A 1 93  ? -2.364  13.514  28.897 1.00 28.87 ? 1113 GLU   A CA   1 
ATOM   564  C  C    . GLU   A 1 93  ? -1.406  13.847  27.768 1.00 23.13 ? 1113 GLU   A C    1 
ATOM   565  O  O    . GLU   A 1 93  ? -0.963  12.967  27.041 1.00 22.40 ? 1113 GLU   A O    1 
ATOM   566  C  CB   . GLU   A 1 93  ? -1.610  13.235  30.199 1.00 33.25 ? 1113 GLU   A CB   1 
ATOM   567  C  CG   . GLU   A 1 93  ? -2.532  13.234  31.400 1.00 42.02 ? 1113 GLU   A CG   1 
ATOM   568  C  CD   . GLU   A 1 93  ? -2.124  12.337  32.554 1.00 50.65 ? 1113 GLU   A CD   1 
ATOM   569  O  OE1  . GLU   A 1 93  ? -1.822  11.139  32.310 1.00 57.39 ? 1113 GLU   A OE1  1 
ATOM   570  O  OE2  . GLU   A 1 93  ? -2.116  12.835  33.696 1.00 59.98 ? 1113 GLU   A OE2  1 
ATOM   571  N  N    . PRO   A 1 94  ? -1.087  15.139  27.590 1.00 20.94 ? 1114 PRO   A N    1 
ATOM   572  C  CA   . PRO   A 1 94  ? -0.219  15.587  26.506 1.00 20.57 ? 1114 PRO   A CA   1 
ATOM   573  C  C    . PRO   A 1 94  ? 1.142   14.885  26.456 1.00 18.94 ? 1114 PRO   A C    1 
ATOM   574  O  O    . PRO   A 1 94  ? 1.639   14.607  25.370 1.00 17.88 ? 1114 PRO   A O    1 
ATOM   575  C  CB   . PRO   A 1 94  ? 0.009   17.080  26.791 1.00 21.57 ? 1114 PRO   A CB   1 
ATOM   576  C  CG   . PRO   A 1 94  ? -1.186  17.491  27.616 1.00 22.63 ? 1114 PRO   A CG   1 
ATOM   577  C  CD   . PRO   A 1 94  ? -1.630  16.258  28.379 1.00 21.00 ? 1114 PRO   A CD   1 
ATOM   578  N  N    A TRP   A 1 95  ? 1.706   14.601  27.618 0.50 18.57 ? 1115 TRP   A N    1 
ATOM   579  N  N    B TRP   A 1 95  ? 1.719   14.609  27.628 0.50 18.27 ? 1115 TRP   A N    1 
ATOM   580  C  CA   A TRP   A 1 95  ? 3.063   14.020  27.749 0.50 20.37 ? 1115 TRP   A CA   1 
ATOM   581  C  CA   B TRP   A 1 95  ? 3.066   13.991  27.780 0.50 19.83 ? 1115 TRP   A CA   1 
ATOM   582  C  C    A TRP   A 1 95  ? 3.097   12.607  27.151 0.50 19.09 ? 1115 TRP   A C    1 
ATOM   583  C  C    B TRP   A 1 95  ? 3.087   12.625  27.094 0.50 18.80 ? 1115 TRP   A C    1 
ATOM   584  O  O    A TRP   A 1 95  ? 4.194   12.170  26.783 0.50 17.64 ? 1115 TRP   A O    1 
ATOM   585  O  O    B TRP   A 1 95  ? 4.165   12.228  26.642 0.50 17.54 ? 1115 TRP   A O    1 
ATOM   586  C  CB   A TRP   A 1 95  ? 3.502   14.057  29.217 0.50 21.19 ? 1115 TRP   A CB   1 
ATOM   587  C  CB   B TRP   A 1 95  ? 3.517   13.862  29.250 0.50 20.07 ? 1115 TRP   A CB   1 
ATOM   588  C  CG   A TRP   A 1 95  ? 4.002   15.414  29.603 0.50 22.64 ? 1115 TRP   A CG   1 
ATOM   589  C  CG   B TRP   A 1 95  ? 2.688   12.979  30.134 0.50 20.91 ? 1115 TRP   A CG   1 
ATOM   590  C  CD1  A TRP   A 1 95  ? 3.431   16.286  30.482 0.50 23.42 ? 1115 TRP   A CD1  1 
ATOM   591  C  CD1  B TRP   A 1 95  ? 1.630   13.387  30.886 0.50 22.03 ? 1115 TRP   A CD1  1 
ATOM   592  C  CD2  A TRP   A 1 95  ? 5.178   16.067  29.093 0.50 23.61 ? 1115 TRP   A CD2  1 
ATOM   593  C  CD2  B TRP   A 1 95  ? 2.862   11.574  30.428 0.50 21.76 ? 1115 TRP   A CD2  1 
ATOM   594  N  NE1  A TRP   A 1 95  ? 4.171   17.431  30.556 0.50 23.86 ? 1115 TRP   A NE1  1 
ATOM   595  N  NE1  B TRP   A 1 95  ? 1.112   12.338  31.590 0.50 22.24 ? 1115 TRP   A NE1  1 
ATOM   596  C  CE2  A TRP   A 1 95  ? 5.249   17.327  29.717 0.50 24.19 ? 1115 TRP   A CE2  1 
ATOM   597  C  CE2  B TRP   A 1 95  ? 1.848   11.214  31.340 0.50 21.60 ? 1115 TRP   A CE2  1 
ATOM   598  C  CE3  A TRP   A 1 95  ? 6.166   15.714  28.170 0.50 22.50 ? 1115 TRP   A CE3  1 
ATOM   599  C  CE3  B TRP   A 1 95  ? 3.758   10.586  30.015 0.50 21.44 ? 1115 TRP   A CE3  1 
ATOM   600  C  CZ2  A TRP   A 1 95  ? 6.276   18.228  29.449 0.50 25.70 ? 1115 TRP   A CZ2  1 
ATOM   601  C  CZ2  B TRP   A 1 95  ? 1.699   9.919   31.836 0.50 22.27 ? 1115 TRP   A CZ2  1 
ATOM   602  C  CZ3  A TRP   A 1 95  ? 7.178   16.605  27.907 0.50 24.01 ? 1115 TRP   A CZ3  1 
ATOM   603  C  CZ3  B TRP   A 1 95  ? 3.615   9.305   30.502 0.50 22.63 ? 1115 TRP   A CZ3  1 
ATOM   604  C  CH2  A TRP   A 1 95  ? 7.231   17.845  28.534 0.50 24.45 ? 1115 TRP   A CH2  1 
ATOM   605  C  CH2  B TRP   A 1 95  ? 2.600   8.975   31.404 0.50 21.93 ? 1115 TRP   A CH2  1 
ATOM   606  N  N    . GLN   A 1 96  ? 1.948   11.930  27.055 1.00 17.61 ? 1116 GLN   A N    1 
ATOM   607  C  CA   . GLN   A 1 96  ? 1.886   10.584  26.435 1.00 19.07 ? 1116 GLN   A CA   1 
ATOM   608  C  C    . GLN   A 1 96  ? 2.093   10.727  24.933 1.00 18.39 ? 1116 GLN   A C    1 
ATOM   609  O  O    . GLN   A 1 96  ? 2.744   9.854   24.342 1.00 16.80 ? 1116 GLN   A O    1 
ATOM   610  C  CB   . GLN   A 1 96  ? 0.562   9.903   26.726 1.00 21.53 ? 1116 GLN   A CB   1 
ATOM   611  C  CG   . GLN   A 1 96  ? 0.351   9.666   28.202 1.00 21.55 ? 1116 GLN   A CG   1 
ATOM   612  C  CD   . GLN   A 1 96  ? -1.017  9.072   28.407 1.00 23.01 ? 1116 GLN   A CD   1 
ATOM   613  O  OE1  . GLN   A 1 96  ? -1.999  9.463   27.788 1.00 28.40 ? 1116 GLN   A OE1  1 
ATOM   614  N  NE2  . GLN   A 1 96  ? -1.092  8.113   29.294 1.00 27.04 ? 1116 GLN   A NE2  1 
ATOM   615  N  N    . TYR   A 1 97  ? 1.542   11.795  24.347 1.00 17.50 ? 1117 TYR   A N    1 
ATOM   616  C  CA   . TYR   A 1 97  ? 1.696   12.104  22.906 1.00 17.16 ? 1117 TYR   A CA   1 
ATOM   617  C  C    . TYR   A 1 97  ? 3.164   12.422  22.616 1.00 16.57 ? 1117 TYR   A C    1 
ATOM   618  O  O    . TYR   A 1 97  ? 3.727   11.878  21.684 1.00 14.73 ? 1117 TYR   A O    1 
ATOM   619  C  CB   . TYR   A 1 97  ? 0.764   13.239  22.503 1.00 16.45 ? 1117 TYR   A CB   1 
ATOM   620  C  CG   . TYR   A 1 97  ? 1.120   13.929  21.219 1.00 14.95 ? 1117 TYR   A CG   1 
ATOM   621  C  CD1  . TYR   A 1 97  ? 0.815   13.343  20.009 1.00 15.66 ? 1117 TYR   A CD1  1 
ATOM   622  C  CD2  . TYR   A 1 97  ? 1.825   15.116  21.205 1.00 15.07 ? 1117 TYR   A CD2  1 
ATOM   623  C  CE1  . TYR   A 1 97  ? 1.141   13.936  18.804 1.00 15.06 ? 1117 TYR   A CE1  1 
ATOM   624  C  CE2  . TYR   A 1 97  ? 2.167   15.726  20.001 1.00 15.55 ? 1117 TYR   A CE2  1 
ATOM   625  C  CZ   . TYR   A 1 97  ? 1.797   15.151  18.795 1.00 15.29 ? 1117 TYR   A CZ   1 
ATOM   626  O  OH   . TYR   A 1 97  ? 2.098   15.734  17.591 1.00 15.84 ? 1117 TYR   A OH   1 
ATOM   627  N  N    . VAL   A 1 98  ? 3.757   13.289  23.430 1.00 16.98 ? 1118 VAL   A N    1 
ATOM   628  C  CA   . VAL   A 1 98  ? 5.180   13.685  23.320 1.00 16.69 ? 1118 VAL   A CA   1 
ATOM   629  C  C    . VAL   A 1 98  ? 6.083   12.448  23.472 1.00 16.99 ? 1118 VAL   A C    1 
ATOM   630  O  O    . VAL   A 1 98  ? 7.037   12.329  22.715 1.00 15.67 ? 1118 VAL   A O    1 
ATOM   631  C  CB   . VAL   A 1 98  ? 5.522   14.777  24.343 1.00 16.63 ? 1118 VAL   A CB   1 
ATOM   632  C  CG1  . VAL   A 1 98  ? 7.002   15.087  24.313 1.00 15.51 ? 1118 VAL   A CG1  1 
ATOM   633  C  CG2  . VAL   A 1 98  ? 4.697   16.040  24.109 1.00 17.34 ? 1118 VAL   A CG2  1 
ATOM   634  N  N    . ASP   A 1 99  ? 5.806   11.578  24.425 1.00 17.39 ? 1119 ASP   A N    1 
ATOM   635  C  CA   . ASP   A 1 99  ? 6.566   10.319  24.613 1.00 20.05 ? 1119 ASP   A CA   1 
ATOM   636  C  C    . ASP   A 1 99  ? 6.561   9.486   23.311 1.00 19.52 ? 1119 ASP   A C    1 
ATOM   637  O  O    . ASP   A 1 99  ? 7.625   8.946   22.983 1.00 17.65 ? 1119 ASP   A O    1 
ATOM   638  C  CB   . ASP   A 1 99  ? 6.025   9.512   25.790 1.00 22.97 ? 1119 ASP   A CB   1 
ATOM   639  C  CG   . ASP   A 1 99  ? 6.421   10.046  27.165 1.00 28.01 ? 1119 ASP   A CG   1 
ATOM   640  O  OD1  . ASP   A 1 99  ? 7.269   10.958  27.244 1.00 32.05 ? 1119 ASP   A OD1  1 
ATOM   641  O  OD2  . ASP   A 1 99  ? 5.871   9.536   28.156 1.00 38.08 ? 1119 ASP   A OD2  1 
ATOM   642  N  N    . ASP   A 1 100 ? 5.442   9.414   22.582 1.00 16.84 ? 1120 ASP   A N    1 
ATOM   643  C  CA   . ASP   A 1 100 ? 5.342   8.610   21.336 1.00 16.55 ? 1120 ASP   A CA   1 
ATOM   644  C  C    . ASP   A 1 100 ? 6.151   9.298   20.230 1.00 14.31 ? 1120 ASP   A C    1 
ATOM   645  O  O    . ASP   A 1 100 ? 6.837   8.612   19.507 1.00 12.00 ? 1120 ASP   A O    1 
ATOM   646  C  CB   . ASP   A 1 100 ? 3.892   8.357   20.926 1.00 16.61 ? 1120 ASP   A CB   1 
ATOM   647  C  CG   . ASP   A 1 100 ? 3.260   7.136   21.584 1.00 18.26 ? 1120 ASP   A CG   1 
ATOM   648  O  OD1  . ASP   A 1 100 ? 3.967   6.423   22.337 1.00 19.44 ? 1120 ASP   A OD1  1 
ATOM   649  O  OD2  . ASP   A 1 100 ? 2.064   6.911   21.340 1.00 17.64 ? 1120 ASP   A OD2  1 
ATOM   650  N  N    . ILE   A 1 101 ? 6.057   10.619  20.111 1.00 13.96 ? 1121 ILE   A N    1 
ATOM   651  C  CA   . ILE   A 1 101 ? 6.889   11.367  19.138 1.00 14.69 ? 1121 ILE   A CA   1 
ATOM   652  C  C    . ILE   A 1 101 ? 8.384   11.104  19.430 1.00 13.10 ? 1121 ILE   A C    1 
ATOM   653  O  O    . ILE   A 1 101 ? 9.146   10.799  18.494 1.00 11.71 ? 1121 ILE   A O    1 
ATOM   654  C  CB   . ILE   A 1 101 ? 6.523   12.862  19.191 1.00 15.40 ? 1121 ILE   A CB   1 
ATOM   655  C  CG1  . ILE   A 1 101 ? 5.095   13.137  18.714 1.00 16.66 ? 1121 ILE   A CG1  1 
ATOM   656  C  CG2  . ILE   A 1 101 ? 7.540   13.655  18.424 1.00 15.16 ? 1121 ILE   A CG2  1 
ATOM   657  C  CD1  . ILE   A 1 101 ? 4.877   12.964  17.218 1.00 17.77 ? 1121 ILE   A CD1  1 
ATOM   658  N  N    . TRP   A 1 102 ? 8.795   11.236  20.684 1.00 13.15 ? 1122 TRP   A N    1 
ATOM   659  C  CA   . TRP   A 1 102 ? 10.202  11.027  21.116 1.00 14.84 ? 1122 TRP   A CA   1 
ATOM   660  C  C    . TRP   A 1 102 ? 10.611  9.557   20.923 1.00 12.75 ? 1122 TRP   A C    1 
ATOM   661  O  O    . TRP   A 1 102 ? 11.719  9.331   20.500 1.00 12.40 ? 1122 TRP   A O    1 
ATOM   662  C  CB   . TRP   A 1 102 ? 10.398  11.454  22.560 1.00 16.42 ? 1122 TRP   A CB   1 
ATOM   663  C  CG   . TRP   A 1 102 ? 10.350  12.930  22.803 1.00 18.97 ? 1122 TRP   A CG   1 
ATOM   664  C  CD1  . TRP   A 1 102 ? 10.356  13.962  21.911 1.00 20.36 ? 1122 TRP   A CD1  1 
ATOM   665  C  CD2  . TRP   A 1 102 ? 10.357  13.530  24.102 1.00 20.86 ? 1122 TRP   A CD2  1 
ATOM   666  N  NE1  . TRP   A 1 102 ? 10.363  15.166  22.570 1.00 20.03 ? 1122 TRP   A NE1  1 
ATOM   667  C  CE2  . TRP   A 1 102 ? 10.372  14.930  23.915 1.00 20.84 ? 1122 TRP   A CE2  1 
ATOM   668  C  CE3  . TRP   A 1 102 ? 10.431  13.006  25.397 1.00 22.52 ? 1122 TRP   A CE3  1 
ATOM   669  C  CZ2  . TRP   A 1 102 ? 10.432  15.814  24.993 1.00 23.89 ? 1122 TRP   A CZ2  1 
ATOM   670  C  CZ3  . TRP   A 1 102 ? 10.450  13.884  26.465 1.00 25.30 ? 1122 TRP   A CZ3  1 
ATOM   671  C  CH2  . TRP   A 1 102 ? 10.456  15.268  26.260 1.00 22.96 ? 1122 TRP   A CH2  1 
ATOM   672  N  N    . LEU   A 1 103 ? 9.719   8.611   21.159 1.00 11.97 ? 1123 LEU   A N    1 
ATOM   673  C  CA   . LEU   A 1 103 ? 9.996   7.176   20.873 1.00 12.83 ? 1123 LEU   A CA   1 
ATOM   674  C  C    . LEU   A 1 103 ? 10.259  7.032   19.369 1.00 12.54 ? 1123 LEU   A C    1 
ATOM   675  O  O    . LEU   A 1 103 ? 11.305  6.466   18.989 1.00 14.12 ? 1123 LEU   A O    1 
ATOM   676  C  CB   . LEU   A 1 103 ? 8.796   6.347   21.327 1.00 12.89 ? 1123 LEU   A CB   1 
ATOM   677  C  CG   . LEU   A 1 103 ? 8.857   4.865   20.944 1.00 12.99 ? 1123 LEU   A CG   1 
ATOM   678  C  CD1  . LEU   A 1 103 ? 10.140  4.269   21.548 1.00 13.16 ? 1123 LEU   A CD1  1 
ATOM   679  C  CD2  . LEU   A 1 103 ? 7.587   4.157   21.467 1.00 13.39 ? 1123 LEU   A CD2  1 
ATOM   680  N  N    . MET   A 1 104 ? 9.453   7.686   18.539 1.00 12.49 ? 1124 MET   A N    1 
ATOM   681  C  CA   . MET   A 1 104 ? 9.611   7.576   17.075 1.00 12.63 ? 1124 MET   A CA   1 
ATOM   682  C  C    . MET   A 1 104 ? 10.985  8.115   16.659 1.00 13.26 ? 1124 MET   A C    1 
ATOM   683  O  O    . MET   A 1 104 ? 11.695  7.426   15.856 1.00 12.55 ? 1124 MET   A O    1 
ATOM   684  C  CB   . MET   A 1 104 ? 8.496   8.322   16.358 1.00 13.93 ? 1124 MET   A CB   1 
ATOM   685  C  CG   . MET   A 1 104 ? 8.613   8.299   14.849 1.00 14.96 ? 1124 MET   A CG   1 
ATOM   686  S  SD   . MET   A 1 104 ? 7.266   9.272   14.143 1.00 17.95 ? 1124 MET   A SD   1 
ATOM   687  C  CE   . MET   A 1 104 ? 7.846   10.937  14.482 1.00 19.36 ? 1124 MET   A CE   1 
ATOM   688  N  N    . PHE   A 1 105 ? 11.381  9.277   17.183 1.00 11.21 ? 1125 PHE   A N    1 
ATOM   689  C  CA   . PHE   A 1 105 ? 12.697  9.872   16.871 1.00 11.54 ? 1125 PHE   A CA   1 
ATOM   690  C  C    . PHE   A 1 105 ? 13.820  8.986   17.407 1.00 10.82 ? 1125 PHE   A C    1 
ATOM   691  O  O    . PHE   A 1 105 ? 14.773  8.732   16.693 1.00 10.39 ? 1125 PHE   A O    1 
ATOM   692  C  CB   . PHE   A 1 105 ? 12.831  11.258  17.491 1.00 12.16 ? 1125 PHE   A CB   1 
ATOM   693  C  CG   . PHE   A 1 105 ? 11.897  12.289  16.940 1.00 12.91 ? 1125 PHE   A CG   1 
ATOM   694  C  CD1  . PHE   A 1 105 ? 11.428  12.210  15.639 1.00 13.93 ? 1125 PHE   A CD1  1 
ATOM   695  C  CD2  . PHE   A 1 105 ? 11.517  13.369  17.719 1.00 14.99 ? 1125 PHE   A CD2  1 
ATOM   696  C  CE1  . PHE   A 1 105 ? 10.576  13.181  15.135 1.00 15.21 ? 1125 PHE   A CE1  1 
ATOM   697  C  CE2  . PHE   A 1 105 ? 10.654  14.329  17.208 1.00 14.71 ? 1125 PHE   A CE2  1 
ATOM   698  C  CZ   . PHE   A 1 105 ? 10.206  14.249  15.912 1.00 13.86 ? 1125 PHE   A CZ   1 
ATOM   699  N  N    . ASN   A 1 106 ? 13.730  8.594   18.671 1.00 11.11 ? 1126 ASN   A N    1 
ATOM   700  C  CA   . ASN   A 1 106 ? 14.767  7.755   19.320 1.00 11.19 ? 1126 ASN   A CA   1 
ATOM   701  C  C    . ASN   A 1 106 ? 14.949  6.466   18.516 1.00 10.72 ? 1126 ASN   A C    1 
ATOM   702  O  O    . ASN   A 1 106 ? 16.080  6.028   18.372 1.00 10.83 ? 1126 ASN   A O    1 
ATOM   703  C  CB   . ASN   A 1 106 ? 14.435  7.483   20.782 1.00 11.59 ? 1126 ASN   A CB   1 
ATOM   704  C  CG   . ASN   A 1 106 ? 14.714  8.688   21.660 1.00 13.82 ? 1126 ASN   A CG   1 
ATOM   705  O  OD1  . ASN   A 1 106 ? 15.407  9.620   21.229 1.00 13.24 ? 1126 ASN   A OD1  1 
ATOM   706  N  ND2  . ASN   A 1 106 ? 14.184  8.660   22.879 1.00 13.05 ? 1126 ASN   A ND2  1 
ATOM   707  N  N    . ASN   A 1 107 ? 13.865  5.849   18.063 1.00 10.33 ? 1127 ASN   A N    1 
ATOM   708  C  CA   . ASN   A 1 107 ? 13.963  4.603   17.268 1.00 10.99 ? 1127 ASN   A CA   1 
ATOM   709  C  C    . ASN   A 1 107 ? 14.768  4.889   15.984 1.00 11.81 ? 1127 ASN   A C    1 
ATOM   710  O  O    . ASN   A 1 107 ? 15.618  4.055   15.596 1.00 11.20 ? 1127 ASN   A O    1 
ATOM   711  C  CB   . ASN   A 1 107 ? 12.587  4.063   16.921 1.00 11.27 ? 1127 ASN   A CB   1 
ATOM   712  C  CG   . ASN   A 1 107 ? 11.858  3.476   18.098 1.00 11.26 ? 1127 ASN   A CG   1 
ATOM   713  O  OD1  . ASN   A 1 107 ? 12.469  3.164   19.122 1.00 11.21 ? 1127 ASN   A OD1  1 
ATOM   714  N  ND2  . ASN   A 1 107 ? 10.577  3.230   17.898 1.00 11.37 ? 1127 ASN   A ND2  1 
ATOM   715  N  N    . ALA   A 1 108 ? 14.503  5.997   15.303 1.00 11.39 ? 1128 ALA   A N    1 
ATOM   716  C  CA   . ALA   A 1 108 ? 15.155  6.271   14.009 1.00 11.92 ? 1128 ALA   A CA   1 
ATOM   717  C  C    . ALA   A 1 108 ? 16.647  6.541   14.237 1.00 11.98 ? 1128 ALA   A C    1 
ATOM   718  O  O    . ALA   A 1 108 ? 17.452  6.016   13.451 1.00 13.09 ? 1128 ALA   A O    1 
ATOM   719  C  CB   . ALA   A 1 108 ? 14.480  7.400   13.297 1.00 12.70 ? 1128 ALA   A CB   1 
ATOM   720  N  N    . TRP   A 1 109 ? 17.005  7.385   15.218 1.00 12.01 ? 1129 TRP   A N    1 
ATOM   721  C  CA   . TRP   A 1 109 ? 18.414  7.666   15.594 1.00 11.23 ? 1129 TRP   A CA   1 
ATOM   722  C  C    . TRP   A 1 109 ? 19.101  6.371   16.037 1.00 12.01 ? 1129 TRP   A C    1 
ATOM   723  O  O    . TRP   A 1 109 ? 20.277  6.197   15.710 1.00 11.48 ? 1129 TRP   A O    1 
ATOM   724  C  CB   . TRP   A 1 109 ? 18.502  8.712   16.687 1.00 11.66 ? 1129 TRP   A CB   1 
ATOM   725  C  CG   . TRP   A 1 109 ? 18.133  10.103  16.250 1.00 12.01 ? 1129 TRP   A CG   1 
ATOM   726  C  CD1  . TRP   A 1 109 ? 18.483  10.738  15.101 1.00 11.58 ? 1129 TRP   A CD1  1 
ATOM   727  C  CD2  . TRP   A 1 109 ? 17.405  11.067  17.031 1.00 11.39 ? 1129 TRP   A CD2  1 
ATOM   728  N  NE1  . TRP   A 1 109 ? 18.006  12.029  15.114 1.00 12.47 ? 1129 TRP   A NE1  1 
ATOM   729  C  CE2  . TRP   A 1 109 ? 17.333  12.257  16.279 1.00 11.82 ? 1129 TRP   A CE2  1 
ATOM   730  C  CE3  . TRP   A 1 109 ? 16.858  11.051  18.307 1.00 11.48 ? 1129 TRP   A CE3  1 
ATOM   731  C  CZ2  . TRP   A 1 109 ? 16.718  13.414  16.760 1.00 12.22 ? 1129 TRP   A CZ2  1 
ATOM   732  C  CZ3  . TRP   A 1 109 ? 16.205  12.174  18.764 1.00 12.93 ? 1129 TRP   A CZ3  1 
ATOM   733  C  CH2  . TRP   A 1 109 ? 16.143  13.348  18.010 1.00 12.26 ? 1129 TRP   A CH2  1 
ATOM   734  N  N    . LEU   A 1 110 ? 18.384  5.489   16.721 1.00 12.35 ? 1130 LEU   A N    1 
ATOM   735  C  CA   . LEU   A 1 110 ? 18.968  4.229   17.232 1.00 14.33 ? 1130 LEU   A CA   1 
ATOM   736  C  C    . LEU   A 1 110 ? 19.272  3.305   16.071 1.00 14.27 ? 1130 LEU   A C    1 
ATOM   737  O  O    . LEU   A 1 110 ? 20.395  2.852   16.013 1.00 13.10 ? 1130 LEU   A O    1 
ATOM   738  C  CB   . LEU   A 1 110 ? 18.056  3.545   18.236 1.00 14.81 ? 1130 LEU   A CB   1 
ATOM   739  C  CG   . LEU   A 1 110 ? 18.515  2.163   18.697 1.00 17.00 ? 1130 LEU   A CG   1 
ATOM   740  C  CD1  . LEU   A 1 110 ? 19.865  2.226   19.415 1.00 18.64 ? 1130 LEU   A CD1  1 
ATOM   741  C  CD2  . LEU   A 1 110 ? 17.461  1.544   19.598 1.00 18.46 ? 1130 LEU   A CD2  1 
ATOM   742  N  N    . TYR   A 1 111 ? 18.313  3.058   15.183 1.00 14.51 ? 1131 TYR   A N    1 
ATOM   743  C  CA   . TYR   A 1 111 ? 18.489  2.037   14.127 1.00 13.64 ? 1131 TYR   A CA   1 
ATOM   744  C  C    . TYR   A 1 111 ? 19.464  2.562   13.073 1.00 14.74 ? 1131 TYR   A C    1 
ATOM   745  O  O    . TYR   A 1 111 ? 20.291  1.815   12.578 1.00 13.87 ? 1131 TYR   A O    1 
ATOM   746  C  CB   . TYR   A 1 111 ? 17.159  1.666   13.474 1.00 13.39 ? 1131 TYR   A CB   1 
ATOM   747  C  CG   . TYR   A 1 111 ? 17.394  0.697   12.359 1.00 12.64 ? 1131 TYR   A CG   1 
ATOM   748  C  CD1  . TYR   A 1 111 ? 17.653  -0.633  12.652 1.00 12.58 ? 1131 TYR   A CD1  1 
ATOM   749  C  CD2  . TYR   A 1 111 ? 17.569  1.130   11.059 1.00 12.45 ? 1131 TYR   A CD2  1 
ATOM   750  C  CE1  . TYR   A 1 111 ? 17.953  -1.534  11.648 1.00 12.54 ? 1131 TYR   A CE1  1 
ATOM   751  C  CE2  . TYR   A 1 111 ? 17.899  0.245   10.043 1.00 12.75 ? 1131 TYR   A CE2  1 
ATOM   752  C  CZ   . TYR   A 1 111 ? 18.102  -1.090  10.350 1.00 12.64 ? 1131 TYR   A CZ   1 
ATOM   753  O  OH   . TYR   A 1 111 ? 18.428  -1.964  9.365  1.00 12.66 ? 1131 TYR   A OH   1 
ATOM   754  N  N    . ASN   A 1 112 ? 19.310  3.832   12.685 1.00 15.40 ? 1132 ASN   A N    1 
ATOM   755  C  CA   . ASN   A 1 112 ? 20.022  4.403   11.523 1.00 15.01 ? 1132 ASN   A CA   1 
ATOM   756  C  C    . ASN   A 1 112 ? 21.422  4.881   11.933 1.00 14.44 ? 1132 ASN   A C    1 
ATOM   757  O  O    . ASN   A 1 112 ? 21.632  5.267   13.094 1.00 14.41 ? 1132 ASN   A O    1 
ATOM   758  C  CB   . ASN   A 1 112 ? 19.180  5.471   10.829 1.00 15.98 ? 1132 ASN   A CB   1 
ATOM   759  C  CG   . ASN   A 1 112 ? 17.901  4.876   10.291 1.00 16.38 ? 1132 ASN   A CG   1 
ATOM   760  O  OD1  . ASN   A 1 112 ? 17.925  4.250   9.245  1.00 18.75 ? 1132 ASN   A OD1  1 
ATOM   761  N  ND2  . ASN   A 1 112 ? 16.821  4.952   11.056 1.00 15.63 ? 1132 ASN   A ND2  1 
ATOM   762  N  N    . ARG   A 1 113 ? 22.339  4.832   10.978 1.00 14.03 ? 1133 ARG   A N    1 
ATOM   763  C  CA   . ARG   A 1 113 ? 23.708  5.392   11.092 1.00 15.96 ? 1133 ARG   A CA   1 
ATOM   764  C  C    . ARG   A 1 113 ? 23.643  6.927   11.059 1.00 16.98 ? 1133 ARG   A C    1 
ATOM   765  O  O    . ARG   A 1 113 ? 22.804  7.492   10.364 1.00 14.77 ? 1133 ARG   A O    1 
ATOM   766  C  CB   . ARG   A 1 113 ? 24.588  4.808   9.989  1.00 15.86 ? 1133 ARG   A CB   1 
ATOM   767  C  CG   . ARG   A 1 113 ? 24.753  3.299   10.130 1.00 15.53 ? 1133 ARG   A CG   1 
ATOM   768  C  CD   . ARG   A 1 113 ? 25.895  2.798   9.285  1.00 16.29 ? 1133 ARG   A CD   1 
ATOM   769  N  NE   . ARG   A 1 113 ? 26.054  1.366   9.456  1.00 16.22 ? 1133 ARG   A NE   1 
ATOM   770  C  CZ   . ARG   A 1 113 ? 26.599  0.759   10.500 1.00 16.04 ? 1133 ARG   A CZ   1 
ATOM   771  N  NH1  . ARG   A 1 113 ? 27.085  1.438   11.527 1.00 15.96 ? 1133 ARG   A NH1  1 
ATOM   772  N  NH2  . ARG   A 1 113 ? 26.645  -0.551  10.512 1.00 16.52 ? 1133 ARG   A NH2  1 
ATOM   773  N  N    . LYS   A 1 114 ? 24.516  7.555   11.825 1.00 20.64 ? 1134 LYS   A N    1 
ATOM   774  C  CA   . LYS   A 1 114 ? 24.637  9.025   11.945 1.00 24.96 ? 1134 LYS   A CA   1 
ATOM   775  C  C    . LYS   A 1 114 ? 24.729  9.616   10.538 1.00 25.30 ? 1134 LYS   A C    1 
ATOM   776  O  O    . LYS   A 1 114 ? 24.252  10.731  10.351 1.00 24.26 ? 1134 LYS   A O    1 
ATOM   777  C  CB   . LYS   A 1 114 ? 25.850  9.357   12.831 1.00 31.56 ? 1134 LYS   A CB   1 
ATOM   778  C  CG   . LYS   A 1 114 ? 25.968  10.814  13.266 1.00 39.79 ? 1134 LYS   A CG   1 
ATOM   779  C  CD   . LYS   A 1 114 ? 27.312  11.189  13.865 1.00 42.30 ? 1134 LYS   A CD   1 
ATOM   780  C  CE   . LYS   A 1 114 ? 27.558  10.552  15.215 1.00 47.11 ? 1134 LYS   A CE   1 
ATOM   781  N  NZ   . LYS   A 1 114 ? 26.593  11.019  16.237 1.00 53.36 ? 1134 LYS   A NZ   1 
ATOM   782  N  N    . THR   A 1 115 ? 25.276  8.857   9.579  1.00 25.23 ? 1135 THR   A N    1 
ATOM   783  C  CA   . THR   A 1 115 ? 25.655  9.322   8.222  1.00 26.68 ? 1135 THR   A CA   1 
ATOM   784  C  C    . THR   A 1 115 ? 24.472  9.144   7.266  1.00 25.73 ? 1135 THR   A C    1 
ATOM   785  O  O    . THR   A 1 115 ? 24.546  9.665   6.151  1.00 25.30 ? 1135 THR   A O    1 
ATOM   786  C  CB   . THR   A 1 115 ? 26.924  8.575   7.764  1.00 30.47 ? 1135 THR   A CB   1 
ATOM   787  O  OG1  . THR   A 1 115 ? 26.771  7.159   7.955  1.00 28.96 ? 1135 THR   A OG1  1 
ATOM   788  C  CG2  . THR   A 1 115 ? 28.149  9.027   8.533  1.00 30.16 ? 1135 THR   A CG2  1 
ATOM   789  N  N    . SER   A 1 116 ? 23.392  8.476   7.691  1.00 21.28 ? 1136 SER   A N    1 
ATOM   790  C  CA   . SER   A 1 116 ? 22.309  8.030   6.781  1.00 18.72 ? 1136 SER   A CA   1 
ATOM   791  C  C    . SER   A 1 116 ? 21.277  9.151   6.588  1.00 17.77 ? 1136 SER   A C    1 
ATOM   792  O  O    . SER   A 1 116 ? 21.140  10.054  7.472  1.00 17.80 ? 1136 SER   A O    1 
ATOM   793  C  CB   . SER   A 1 116 ? 21.675  6.747   7.297  1.00 18.87 ? 1136 SER   A CB   1 
ATOM   794  O  OG   . SER   A 1 116 ? 20.807  7.047   8.379  1.00 18.63 ? 1136 SER   A OG   1 
ATOM   795  N  N    . ARG   A 1 117 ? 20.573  9.099   5.467  1.00 17.28 ? 1137 ARG   A N    1 
ATOM   796  C  CA   . ARG   A 1 117 ? 19.497  10.045  5.108  1.00 19.31 ? 1137 ARG   A CA   1 
ATOM   797  C  C    . ARG   A 1 117 ? 18.363  10.006  6.152  1.00 18.75 ? 1137 ARG   A C    1 
ATOM   798  O  O    . ARG   A 1 117 ? 17.887  11.089  6.587  1.00 16.65 ? 1137 ARG   A O    1 
ATOM   799  C  CB   . ARG   A 1 117 ? 18.981  9.692   3.718  1.00 21.58 ? 1137 ARG   A CB   1 
ATOM   800  C  CG   . ARG   A 1 117 ? 17.823  10.567  3.267  1.00 24.88 ? 1137 ARG   A CG   1 
ATOM   801  C  CD   . ARG   A 1 117 ? 17.625  10.557  1.763  1.00 27.98 ? 1137 ARG   A CD   1 
ATOM   802  N  NE   . ARG   A 1 117 ? 17.528  9.201   1.251  1.00 31.20 ? 1137 ARG   A NE   1 
ATOM   803  C  CZ   . ARG   A 1 117 ? 16.983  8.865   0.077  1.00 31.65 ? 1137 ARG   A CZ   1 
ATOM   804  N  NH1  . ARG   A 1 117 ? 16.443  9.799   -0.683 1.00 29.64 ? 1137 ARG   A NH1  1 
ATOM   805  N  NH2  . ARG   A 1 117 ? 16.916  7.587   -0.289 1.00 30.71 ? 1137 ARG   A NH2  1 
ATOM   806  N  N    . VAL   A 1 118 ? 17.922  8.820   6.565  1.00 15.87 ? 1138 VAL   A N    1 
ATOM   807  C  CA   . VAL   A 1 118 ? 16.783  8.744   7.521  1.00 16.62 ? 1138 VAL   A CA   1 
ATOM   808  C  C    . VAL   A 1 118 ? 17.207  9.381   8.850  1.00 15.43 ? 1138 VAL   A C    1 
ATOM   809  O  O    . VAL   A 1 118 ? 16.402  10.092  9.433  1.00 16.14 ? 1138 VAL   A O    1 
ATOM   810  C  CB   . VAL   A 1 118 ? 16.234  7.319   7.710  1.00 15.84 ? 1138 VAL   A CB   1 
ATOM   811  C  CG1  . VAL   A 1 118 ? 15.209  7.305   8.835  1.00 16.07 ? 1138 VAL   A CG1  1 
ATOM   812  C  CG2  . VAL   A 1 118 ? 15.631  6.783   6.424  1.00 15.72 ? 1138 VAL   A CG2  1 
ATOM   813  N  N    . TYR   A 1 119 ? 18.428  9.176   9.311  1.00 14.65 ? 1139 TYR   A N    1 
ATOM   814  C  CA   . TYR   A 1 119 ? 18.918  9.819   10.552 1.00 15.33 ? 1139 TYR   A CA   1 
ATOM   815  C  C    . TYR   A 1 119 ? 18.799  11.338  10.433 1.00 16.89 ? 1139 TYR   A C    1 
ATOM   816  O  O    . TYR   A 1 119 ? 18.251  11.959  11.354 1.00 16.79 ? 1139 TYR   A O    1 
ATOM   817  C  CB   . TYR   A 1 119 ? 20.358  9.433   10.824 1.00 14.48 ? 1139 TYR   A CB   1 
ATOM   818  C  CG   . TYR   A 1 119 ? 20.928  9.874   12.137 1.00 14.71 ? 1139 TYR   A CG   1 
ATOM   819  C  CD1  . TYR   A 1 119 ? 21.416  11.163  12.330 1.00 14.80 ? 1139 TYR   A CD1  1 
ATOM   820  C  CD2  . TYR   A 1 119 ? 21.030  8.970   13.176 1.00 14.68 ? 1139 TYR   A CD2  1 
ATOM   821  C  CE1  . TYR   A 1 119 ? 21.978  11.532  13.544 1.00 14.88 ? 1139 TYR   A CE1  1 
ATOM   822  C  CE2  . TYR   A 1 119 ? 21.610  9.319   14.377 1.00 15.79 ? 1139 TYR   A CE2  1 
ATOM   823  C  CZ   . TYR   A 1 119 ? 22.098  10.601  14.555 1.00 15.87 ? 1139 TYR   A CZ   1 
ATOM   824  O  OH   . TYR   A 1 119 ? 22.632  10.897  15.770 1.00 16.87 ? 1139 TYR   A OH   1 
ATOM   825  N  N    . LYS   A 1 120 ? 19.309  11.907  9.341  1.00 17.96 ? 1140 LYS   A N    1 
ATOM   826  C  CA   . LYS   A 1 120 ? 19.300  13.370  9.117  1.00 21.20 ? 1140 LYS   A CA   1 
ATOM   827  C  C    . LYS   A 1 120 ? 17.850  13.842  9.003  1.00 19.16 ? 1140 LYS   A C    1 
ATOM   828  O  O    . LYS   A 1 120 ? 17.526  14.859  9.588  1.00 17.91 ? 1140 LYS   A O    1 
ATOM   829  C  CB   . LYS   A 1 120 ? 20.117  13.715  7.867  1.00 24.80 ? 1140 LYS   A CB   1 
ATOM   830  C  CG   . LYS   A 1 120 ? 21.600  13.437  8.058  1.00 28.83 ? 1140 LYS   A CG   1 
ATOM   831  C  CD   . LYS   A 1 120 ? 22.400  13.444  6.787  1.00 34.02 ? 1140 LYS   A CD   1 
ATOM   832  C  CE   . LYS   A 1 120 ? 23.880  13.330  7.090  1.00 40.08 ? 1140 LYS   A CE   1 
ATOM   833  N  NZ   . LYS   A 1 120 ? 24.585  12.607  6.013  1.00 43.02 ? 1140 LYS   A NZ   1 
ATOM   834  N  N    . TYR   A 1 121 ? 16.986  13.094  8.332  1.00 18.26 ? 1141 TYR   A N    1 
ATOM   835  C  CA   . TYR   A 1 121 ? 15.561  13.489  8.223  1.00 19.68 ? 1141 TYR   A CA   1 
ATOM   836  C  C    . TYR   A 1 121 ? 14.924  13.468  9.610  1.00 18.88 ? 1141 TYR   A C    1 
ATOM   837  O  O    . TYR   A 1 121 ? 14.139  14.360  9.926  1.00 18.57 ? 1141 TYR   A O    1 
ATOM   838  C  CB   . TYR   A 1 121 ? 14.814  12.603  7.235  1.00 20.15 ? 1141 TYR   A CB   1 
ATOM   839  C  CG   . TYR   A 1 121 ? 15.130  12.893  5.799  1.00 21.72 ? 1141 TYR   A CG   1 
ATOM   840  C  CD1  . TYR   A 1 121 ? 16.093  13.833  5.430  1.00 22.42 ? 1141 TYR   A CD1  1 
ATOM   841  C  CD2  . TYR   A 1 121 ? 14.459  12.202  4.804  1.00 20.04 ? 1141 TYR   A CD2  1 
ATOM   842  C  CE1  . TYR   A 1 121 ? 16.372  14.073  4.090  1.00 21.78 ? 1141 TYR   A CE1  1 
ATOM   843  C  CE2  . TYR   A 1 121 ? 14.717  12.449  3.471  1.00 22.38 ? 1141 TYR   A CE2  1 
ATOM   844  C  CZ   . TYR   A 1 121 ? 15.664  13.389  3.120  1.00 21.95 ? 1141 TYR   A CZ   1 
ATOM   845  O  OH   . TYR   A 1 121 ? 15.871  13.588  1.795  1.00 27.87 ? 1141 TYR   A OH   1 
ATOM   846  N  N    . CYS   A 1 122 ? 15.283  12.480  10.421 1.00 17.12 ? 1142 CYS   A N    1 
ATOM   847  C  CA   . CYS   A 1 122 ? 14.801  12.375  11.807 1.00 17.72 ? 1142 CYS   A CA   1 
ATOM   848  C  C    . CYS   A 1 122 ? 15.218  13.634  12.582 1.00 19.21 ? 1142 CYS   A C    1 
ATOM   849  O  O    . CYS   A 1 122 ? 14.353  14.213  13.267 1.00 17.32 ? 1142 CYS   A O    1 
ATOM   850  C  CB   . CYS   A 1 122 ? 15.345  11.153  12.520 1.00 17.35 ? 1142 CYS   A CB   1 
ATOM   851  S  SG   . CYS   A 1 122 ? 14.719  11.074  14.207 1.00 17.78 ? 1142 CYS   A SG   1 
ATOM   852  N  N    . SER   A 1 123 ? 16.492  14.024  12.496 1.00 18.36 ? 1143 SER   A N    1 
ATOM   853  C  CA   . SER   A 1 123 ? 17.031  15.236  13.168 1.00 19.39 ? 1143 SER   A CA   1 
ATOM   854  C  C    . SER   A 1 123 ? 16.236  16.478  12.743 1.00 19.42 ? 1143 SER   A C    1 
ATOM   855  O  O    . SER   A 1 123 ? 15.861  17.247  13.607 1.00 19.92 ? 1143 SER   A O    1 
ATOM   856  C  CB   . SER   A 1 123 ? 18.498  15.381  12.896 1.00 19.30 ? 1143 SER   A CB   1 
ATOM   857  O  OG   . SER   A 1 123 ? 19.189  14.371  13.595 1.00 17.50 ? 1143 SER   A OG   1 
ATOM   858  N  N    . LYS   A 1 124 ? 15.906  16.593  11.465 1.00 21.10 ? 1144 LYS   A N    1 
ATOM   859  C  CA   . LYS   A 1 124 ? 15.126  17.720  10.907 1.00 22.53 ? 1144 LYS   A CA   1 
ATOM   860  C  C    . LYS   A 1 124 ? 13.745  17.722  11.558 1.00 22.47 ? 1144 LYS   A C    1 
ATOM   861  O  O    . LYS   A 1 124 ? 13.372  18.750  12.163 1.00 20.79 ? 1144 LYS   A O    1 
ATOM   862  C  CB   . LYS   A 1 124 ? 15.086  17.603  9.390  1.00 25.98 ? 1144 LYS   A CB   1 
ATOM   863  C  CG   . LYS   A 1 124 ? 14.186  18.606  8.695  1.00 32.71 ? 1144 LYS   A CG   1 
ATOM   864  C  CD   . LYS   A 1 124 ? 14.554  20.057  8.927  1.00 38.62 ? 1144 LYS   A CD   1 
ATOM   865  C  CE   . LYS   A 1 124 ? 13.933  20.946  7.867  1.00 43.17 ? 1144 LYS   A CE   1 
ATOM   866  N  NZ   . LYS   A 1 124 ? 13.389  22.181  8.468  1.00 46.15 ? 1144 LYS   A NZ   1 
ATOM   867  N  N    . LEU   A 1 125 ? 13.038  16.594  11.499 1.00 22.17 ? 1145 LEU   A N    1 
ATOM   868  C  CA   . LEU   A 1 125 ? 11.728  16.432  12.179 1.00 21.69 ? 1145 LEU   A CA   1 
ATOM   869  C  C    . LEU   A 1 125 ? 11.811  16.808  13.670 1.00 20.33 ? 1145 LEU   A C    1 
ATOM   870  O  O    . LEU   A 1 125 ? 10.896  17.520  14.096 1.00 18.14 ? 1145 LEU   A O    1 
ATOM   871  C  CB   . LEU   A 1 125 ? 11.208  15.007  12.025 1.00 21.82 ? 1145 LEU   A CB   1 
ATOM   872  C  CG   . LEU   A 1 125 ? 10.662  14.601  10.661 1.00 23.86 ? 1145 LEU   A CG   1 
ATOM   873  C  CD1  . LEU   A 1 125 ? 9.654   13.462  10.837 1.00 24.57 ? 1145 LEU   A CD1  1 
ATOM   874  C  CD2  . LEU   A 1 125 ? 10.040  15.764  9.904  1.00 22.51 ? 1145 LEU   A CD2  1 
ATOM   875  N  N    . SER   A 1 126 ? 12.819  16.373  14.438 1.00 19.40 ? 1146 SER   A N    1 
ATOM   876  C  CA   . SER   A 1 126 ? 12.909  16.688  15.894 1.00 22.96 ? 1146 SER   A CA   1 
ATOM   877  C  C    . SER   A 1 126 ? 13.054  18.194  16.122 1.00 23.70 ? 1146 SER   A C    1 
ATOM   878  O  O    . SER   A 1 126 ? 12.581  18.670  17.168 1.00 23.46 ? 1146 SER   A O    1 
ATOM   879  C  CB   . SER   A 1 126 ? 14.032  15.994  16.601 1.00 23.02 ? 1146 SER   A CB   1 
ATOM   880  O  OG   . SER   A 1 126 ? 15.238  16.227  15.899 1.00 30.55 ? 1146 SER   A OG   1 
ATOM   881  N  N    . GLU   A 1 127 ? 13.783  18.889  15.260 1.00 24.24 ? 1147 GLU   A N    1 
ATOM   882  C  CA   . GLU   A 1 127 ? 13.915  20.364  15.345 1.00 28.33 ? 1147 GLU   A CA   1 
ATOM   883  C  C    . GLU   A 1 127 ? 12.545  20.994  15.130 1.00 23.93 ? 1147 GLU   A C    1 
ATOM   884  O  O    . GLU   A 1 127 ? 12.112  21.749  15.978 1.00 25.11 ? 1147 GLU   A O    1 
ATOM   885  C  CB   . GLU   A 1 127 ? 14.919  20.862  14.309 1.00 32.00 ? 1147 GLU   A CB   1 
ATOM   886  C  CG   . GLU   A 1 127 ? 16.327  20.413  14.645 1.00 35.32 ? 1147 GLU   A CG   1 
ATOM   887  C  CD   . GLU   A 1 127 ? 17.358  20.523  13.529 1.00 40.35 ? 1147 GLU   A CD   1 
ATOM   888  O  OE1  . GLU   A 1 127 ? 16.966  20.807  12.378 1.00 41.70 ? 1147 GLU   A OE1  1 
ATOM   889  O  OE2  . GLU   A 1 127 ? 18.557  20.313  13.818 1.00 43.93 ? 1147 GLU   A OE2  1 
ATOM   890  N  N    . VAL   A 1 128 ? 11.847  20.595  14.079 1.00 22.75 ? 1148 VAL   A N    1 
ATOM   891  C  CA   . VAL   A 1 128 ? 10.484  21.119  13.797 1.00 22.22 ? 1148 VAL   A CA   1 
ATOM   892  C  C    . VAL   A 1 128 ? 9.603   20.834  15.017 1.00 23.74 ? 1148 VAL   A C    1 
ATOM   893  O  O    . VAL   A 1 128 ? 8.913   21.771  15.508 1.00 24.08 ? 1148 VAL   A O    1 
ATOM   894  C  CB   . VAL   A 1 128 ? 9.890   20.547  12.506 1.00 21.00 ? 1148 VAL   A CB   1 
ATOM   895  C  CG1  . VAL   A 1 128 ? 8.423   20.958  12.328 1.00 21.96 ? 1148 VAL   A CG1  1 
ATOM   896  C  CG2  . VAL   A 1 128 ? 10.727  20.955  11.315 1.00 21.40 ? 1148 VAL   A CG2  1 
ATOM   897  N  N    . PHE   A 1 129 ? 9.636   19.611  15.539 1.00 20.02 ? 1149 PHE   A N    1 
ATOM   898  C  CA   . PHE   A 1 129 ? 8.769   19.241  16.680 1.00 20.74 ? 1149 PHE   A CA   1 
ATOM   899  C  C    . PHE   A 1 129 ? 9.028   20.151  17.879 1.00 22.86 ? 1149 PHE   A C    1 
ATOM   900  O  O    . PHE   A 1 129 ? 8.052   20.614  18.484 1.00 20.65 ? 1149 PHE   A O    1 
ATOM   901  C  CB   . PHE   A 1 129 ? 9.008   17.822  17.165 1.00 19.30 ? 1149 PHE   A CB   1 
ATOM   902  C  CG   . PHE   A 1 129 ? 7.972   17.383  18.154 1.00 17.75 ? 1149 PHE   A CG   1 
ATOM   903  C  CD1  . PHE   A 1 129 ? 6.652   17.275  17.767 1.00 16.23 ? 1149 PHE   A CD1  1 
ATOM   904  C  CD2  . PHE   A 1 129 ? 8.327   17.053  19.444 1.00 16.98 ? 1149 PHE   A CD2  1 
ATOM   905  C  CE1  . PHE   A 1 129 ? 5.692   16.831  18.662 1.00 16.93 ? 1149 PHE   A CE1  1 
ATOM   906  C  CE2  . PHE   A 1 129 ? 7.364   16.622  20.345 1.00 17.22 ? 1149 PHE   A CE2  1 
ATOM   907  C  CZ   . PHE   A 1 129 ? 6.045   16.506  19.946 1.00 16.76 ? 1149 PHE   A CZ   1 
ATOM   908  N  N    . GLU   A 1 130 ? 10.298  20.282  18.249 1.00 26.37 ? 1150 GLU   A N    1 
ATOM   909  C  CA   . GLU   A 1 130 ? 10.773  21.049  19.421 1.00 31.43 ? 1150 GLU   A CA   1 
ATOM   910  C  C    . GLU   A 1 130 ? 10.199  22.468  19.342 1.00 33.01 ? 1150 GLU   A C    1 
ATOM   911  O  O    . GLU   A 1 130 ? 9.647   22.921  20.334 1.00 35.08 ? 1150 GLU   A O    1 
ATOM   912  C  CB   . GLU   A 1 130 ? 12.295  21.030  19.447 1.00 37.35 ? 1150 GLU   A CB   1 
ATOM   913  C  CG   . GLU   A 1 130 ? 12.886  21.651  20.692 1.00 45.37 ? 1150 GLU   A CG   1 
ATOM   914  C  CD   . GLU   A 1 130 ? 14.350  21.289  20.896 1.00 55.06 ? 1150 GLU   A CD   1 
ATOM   915  O  OE1  . GLU   A 1 130 ? 15.106  21.228  19.886 1.00 62.08 ? 1150 GLU   A OE1  1 
ATOM   916  O  OE2  . GLU   A 1 130 ? 14.729  21.034  22.054 1.00 59.57 ? 1150 GLU   A OE2  1 
ATOM   917  N  N    . GLN   A 1 131 ? 10.234  23.090  18.172 1.00 31.59 ? 1151 GLN   A N    1 
ATOM   918  C  CA   . GLN   A 1 131 ? 9.720   24.468  17.975 1.00 36.78 ? 1151 GLN   A CA   1 
ATOM   919  C  C    . GLN   A 1 131 ? 8.185   24.450  18.116 1.00 35.53 ? 1151 GLN   A C    1 
ATOM   920  O  O    . GLN   A 1 131 ? 7.664   25.319  18.819 1.00 37.66 ? 1151 GLN   A O    1 
ATOM   921  C  CB   . GLN   A 1 131 ? 10.250  25.030  16.649 1.00 39.23 ? 1151 GLN   A CB   1 
ATOM   922  C  CG   . GLN   A 1 131 ? 9.197   25.119  15.557 1.00 47.62 ? 1151 GLN   A CG   1 
ATOM   923  C  CD   . GLN   A 1 131 ? 9.747   25.019  14.155 1.00 57.18 ? 1151 GLN   A CD   1 
ATOM   924  O  OE1  . GLN   A 1 131 ? 9.105   24.454  13.269 1.00 62.24 ? 1151 GLN   A OE1  1 
ATOM   925  N  NE2  . GLN   A 1 131 ? 10.938  25.562  13.942 1.00 59.66 ? 1151 GLN   A NE2  1 
ATOM   926  N  N    . GLU   A 1 132 ? 7.490   23.453  17.556 1.00 32.79 ? 1152 GLU   A N    1 
ATOM   927  C  CA   . GLU   A 1 132 ? 6.005   23.358  17.545 1.00 31.61 ? 1152 GLU   A CA   1 
ATOM   928  C  C    . GLU   A 1 132 ? 5.433   22.991  18.924 1.00 32.30 ? 1152 GLU   A C    1 
ATOM   929  O  O    . GLU   A 1 132 ? 4.346   23.476  19.247 1.00 30.99 ? 1152 GLU   A O    1 
ATOM   930  C  CB   . GLU   A 1 132 ? 5.546   22.325  16.520 1.00 37.61 ? 1152 GLU   A CB   1 
ATOM   931  C  CG   . GLU   A 1 132 ? 5.864   22.718  15.089 1.00 42.18 ? 1152 GLU   A CG   1 
ATOM   932  C  CD   . GLU   A 1 132 ? 5.092   23.926  14.577 1.00 48.25 ? 1152 GLU   A CD   1 
ATOM   933  O  OE1  . GLU   A 1 132 ? 3.869   24.034  14.890 1.00 50.22 ? 1152 GLU   A OE1  1 
ATOM   934  O  OE2  . GLU   A 1 132 ? 5.713   24.757  13.878 1.00 50.05 ? 1152 GLU   A OE2  1 
ATOM   935  N  N    . ILE   A 1 133 ? 6.119   22.166  19.716 1.00 28.90 ? 1153 ILE   A N    1 
ATOM   936  C  CA   . ILE   A 1 133 ? 5.514   21.497  20.903 1.00 27.90 ? 1153 ILE   A CA   1 
ATOM   937  C  C    . ILE   A 1 133 ? 5.633   22.391  22.141 1.00 28.23 ? 1153 ILE   A C    1 
ATOM   938  O  O    . ILE   A 1 133 ? 4.731   22.300  22.989 1.00 25.24 ? 1153 ILE   A O    1 
ATOM   939  C  CB   . ILE   A 1 133 ? 6.116   20.095  21.180 1.00 27.00 ? 1153 ILE   A CB   1 
ATOM   940  C  CG1  . ILE   A 1 133 ? 5.185   19.286  22.082 1.00 24.54 ? 1153 ILE   A CG1  1 
ATOM   941  C  CG2  . ILE   A 1 133 ? 7.525   20.161  21.774 1.00 26.20 ? 1153 ILE   A CG2  1 
ATOM   942  C  CD1  . ILE   A 1 133 ? 3.786   19.151  21.551 1.00 24.10 ? 1153 ILE   A CD1  1 
ATOM   943  N  N    . ASP   A 1 134 ? 6.712   23.166  22.257 1.00 28.32 ? 1154 ASP   A N    1 
ATOM   944  C  CA   . ASP   A 1 134 ? 6.995   24.042  23.425 1.00 34.91 ? 1154 ASP   A CA   1 
ATOM   945  C  C    . ASP   A 1 134 ? 5.767   24.900  23.763 1.00 35.12 ? 1154 ASP   A C    1 
ATOM   946  O  O    . ASP   A 1 134 ? 5.234   24.812  24.865 1.00 33.78 ? 1154 ASP   A O    1 
ATOM   947  C  CB   . ASP   A 1 134 ? 8.270   24.851  23.180 1.00 41.12 ? 1154 ASP   A CB   1 
ATOM   948  C  CG   . ASP   A 1 134 ? 8.831   25.525  24.423 1.00 51.10 ? 1154 ASP   A CG   1 
ATOM   949  O  OD1  . ASP   A 1 134 ? 8.038   26.104  25.202 1.00 57.83 ? 1154 ASP   A OD1  1 
ATOM   950  O  OD2  . ASP   A 1 134 ? 10.068  25.481  24.595 1.00 65.27 ? 1154 ASP   A OD2  1 
ATOM   951  N  N    . PRO   A 1 135 ? 5.266   25.780  22.870 1.00 32.25 ? 1155 PRO   A N    1 
ATOM   952  C  CA   . PRO   A 1 135 ? 4.121   26.623  23.220 1.00 33.12 ? 1155 PRO   A CA   1 
ATOM   953  C  C    . PRO   A 1 135 ? 2.821   25.850  23.489 1.00 31.46 ? 1155 PRO   A C    1 
ATOM   954  O  O    . PRO   A 1 135 ? 2.083   26.220  24.378 1.00 30.02 ? 1155 PRO   A O    1 
ATOM   955  C  CB   . PRO   A 1 135 ? 3.930   27.517  21.986 1.00 33.95 ? 1155 PRO   A CB   1 
ATOM   956  C  CG   . PRO   A 1 135 ? 4.635   26.780  20.872 1.00 35.32 ? 1155 PRO   A CG   1 
ATOM   957  C  CD   . PRO   A 1 135 ? 5.805   26.083  21.540 1.00 34.23 ? 1155 PRO   A CD   1 
ATOM   958  N  N    . VAL   A 1 136 ? 2.543   24.812  22.699 1.00 30.89 ? 1156 VAL   A N    1 
ATOM   959  C  CA   . VAL   A 1 136 ? 1.330   23.972  22.887 1.00 28.22 ? 1156 VAL   A CA   1 
ATOM   960  C  C    . VAL   A 1 136 ? 1.358   23.391  24.305 1.00 28.25 ? 1156 VAL   A C    1 
ATOM   961  O  O    . VAL   A 1 136 ? 0.299   23.377  24.940 1.00 29.19 ? 1156 VAL   A O    1 
ATOM   962  C  CB   . VAL   A 1 136 ? 1.201   22.891  21.800 1.00 29.43 ? 1156 VAL   A CB   1 
ATOM   963  C  CG1  . VAL   A 1 136 ? 0.126   21.875  22.139 1.00 29.61 ? 1156 VAL   A CG1  1 
ATOM   964  C  CG2  . VAL   A 1 136 ? 0.932   23.510  20.436 1.00 28.91 ? 1156 VAL   A CG2  1 
ATOM   965  N  N    . MET   A 1 137 ? 2.514   22.969  24.809 1.00 27.64 ? 1157 MET   A N    1 
ATOM   966  C  CA   . MET   A 1 137 ? 2.592   22.347  26.156 1.00 32.10 ? 1157 MET   A CA   1 
ATOM   967  C  C    . MET   A 1 137 ? 2.291   23.423  27.203 1.00 32.27 ? 1157 MET   A C    1 
ATOM   968  O  O    . MET   A 1 137 ? 1.485   23.143  28.112 1.00 31.62 ? 1157 MET   A O    1 
ATOM   969  C  CB   . MET   A 1 137 ? 3.956   21.699  26.437 1.00 31.21 ? 1157 MET   A CB   1 
ATOM   970  C  CG   . MET   A 1 137 ? 4.195   20.399  25.646 1.00 34.43 ? 1157 MET   A CG   1 
ATOM   971  S  SD   . MET   A 1 137 ? 2.870   19.118  25.767 1.00 34.45 ? 1157 MET   A SD   1 
ATOM   972  C  CE   . MET   A 1 137 ? 3.372   18.269  27.262 1.00 34.58 ? 1157 MET   A CE   1 
ATOM   973  N  N    . GLN   A 1 138 ? 2.896   24.606  27.072 1.00 36.77 ? 1158 GLN   A N    1 
ATOM   974  C  CA   . GLN   A 1 138 ? 2.626   25.776  27.960 1.00 40.37 ? 1158 GLN   A CA   1 
ATOM   975  C  C    . GLN   A 1 138 ? 1.107   25.985  28.068 1.00 38.57 ? 1158 GLN   A C    1 
ATOM   976  O  O    . GLN   A 1 138 ? 0.618   26.090  29.203 1.00 44.40 ? 1158 GLN   A O    1 
ATOM   977  C  CB   . GLN   A 1 138 ? 3.270   27.071  27.447 1.00 43.21 ? 1158 GLN   A CB   1 
ATOM   978  C  CG   . GLN   A 1 138 ? 4.770   27.014  27.222 1.00 45.70 ? 1158 GLN   A CG   1 
ATOM   979  C  CD   . GLN   A 1 138 ? 5.525   26.810  28.509 1.00 50.68 ? 1158 GLN   A CD   1 
ATOM   980  O  OE1  . GLN   A 1 138 ? 4.940   26.502  29.546 1.00 54.55 ? 1158 GLN   A OE1  1 
ATOM   981  N  NE2  . GLN   A 1 138 ? 6.838   26.969  28.443 1.00 48.45 ? 1158 GLN   A NE2  1 
ATOM   982  N  N    . SER   A 1 139 ? 0.390   25.968  26.937 1.00 38.33 ? 1159 SER   A N    1 
ATOM   983  C  CA   . SER   A 1 139 ? -1.046  26.349  26.827 1.00 41.66 ? 1159 SER   A CA   1 
ATOM   984  C  C    . SER   A 1 139 ? -1.985  25.253  27.366 1.00 42.73 ? 1159 SER   A C    1 
ATOM   985  O  O    . SER   A 1 139 ? -3.170  25.585  27.633 1.00 42.54 ? 1159 SER   A O    1 
ATOM   986  C  CB   . SER   A 1 139 ? -1.403  26.712  25.412 1.00 39.45 ? 1159 SER   A CB   1 
ATOM   987  O  OG   . SER   A 1 139 ? -1.503  25.542  24.629 1.00 44.43 ? 1159 SER   A OG   1 
ATOM   988  N  N    . LEU   A 1 140 ? -1.502  24.012  27.513 1.00 41.96 ? 1160 LEU   A N    1 
ATOM   989  C  CA   . LEU   A 1 140 ? -2.266  22.877  28.111 1.00 43.62 ? 1160 LEU   A CA   1 
ATOM   990  C  C    . LEU   A 1 140 ? -2.072  22.831  29.631 1.00 48.26 ? 1160 LEU   A C    1 
ATOM   991  O  O    . LEU   A 1 140 ? -2.849  22.117  30.300 1.00 50.87 ? 1160 LEU   A O    1 
ATOM   992  C  CB   . LEU   A 1 140 ? -1.798  21.566  27.473 1.00 38.97 ? 1160 LEU   A CB   1 
ATOM   993  C  CG   . LEU   A 1 140 ? -2.285  21.358  26.046 1.00 38.74 ? 1160 LEU   A CG   1 
ATOM   994  C  CD1  . LEU   A 1 140 ? -1.628  20.135  25.423 1.00 38.67 ? 1160 LEU   A CD1  1 
ATOM   995  C  CD2  . LEU   A 1 140 ? -3.806  21.252  26.006 1.00 39.79 ? 1160 LEU   A CD2  1 
ATOM   996  N  N    . GLY   A 1 141 ? -1.101  23.592  30.141 1.00 56.81 ? 1161 GLY   A N    1 
ATOM   997  C  CA   . GLY   A 1 141 ? -0.571  23.503  31.511 1.00 64.39 ? 1161 GLY   A CA   1 
ATOM   998  C  C    . GLY   A 1 141 ? 0.948   23.511  31.481 1.00 70.08 ? 1161 GLY   A C    1 
ATOM   999  O  O    . GLY   A 1 141 ? 1.571   24.436  31.993 1.00 75.46 ? 1161 GLY   A O    1 
ATOM   1000 O  OXT  . GLY   A 1 141 ? 1.582   22.601  30.931 1.00 69.80 ? 1161 GLY   A OXT  1 
HETATM 1001 C  CAT  . A1EDM B 2 .   ? 9.597   7.238   0.059  1.00 21.53 ? 1201 A1EDM A CAT  1 
HETATM 1002 C  CAU  . A1EDM B 2 .   ? 8.401   7.996   -0.463 1.00 23.32 ? 1201 A1EDM A CAU  1 
HETATM 1003 O  OAV  . A1EDM B 2 .   ? 7.194   7.208   -0.257 1.00 22.94 ? 1201 A1EDM A OAV  1 
HETATM 1004 C  CAW  . A1EDM B 2 .   ? 6.899   6.736   1.086  1.00 20.30 ? 1201 A1EDM A CAW  1 
HETATM 1005 C  CAX  . A1EDM B 2 .   ? 8.170   6.379   1.884  1.00 20.08 ? 1201 A1EDM A CAX  1 
HETATM 1006 N  NAS  . A1EDM B 2 .   ? 9.273   6.164   0.975  1.00 19.47 ? 1201 A1EDM A NAS  1 
HETATM 1007 C  CAQ  . A1EDM B 2 .   ? 10.554  5.884   1.718  1.00 18.77 ? 1201 A1EDM A CAQ  1 
HETATM 1008 C  CAR  . A1EDM B 2 .   ? 10.847  6.887   2.853  1.00 18.57 ? 1201 A1EDM A CAR  1 
HETATM 1009 C  CAP  . A1EDM B 2 .   ? 10.489  4.465   2.260  1.00 18.19 ? 1201 A1EDM A CAP  1 
HETATM 1010 N  NAM  . A1EDM B 2 .   ? 11.671  4.160   3.057  1.00 18.55 ? 1201 A1EDM A NAM  1 
HETATM 1011 C  CAL  . A1EDM B 2 .   ? 11.659  4.176   4.422  1.00 17.23 ? 1201 A1EDM A CAL  1 
HETATM 1012 C  CAK  . A1EDM B 2 .   ? 12.906  3.884   4.804  1.00 17.66 ? 1201 A1EDM A CAK  1 
HETATM 1013 C  CAG  . A1EDM B 2 .   ? 13.382  3.738   6.067  1.00 18.11 ? 1201 A1EDM A CAG  1 
HETATM 1014 C  CAF  . A1EDM B 2 .   ? 12.725  4.176   7.198  1.00 19.98 ? 1201 A1EDM A CAF  1 
HETATM 1015 C  CAA  . A1EDM B 2 .   ? 13.283  3.981   8.401  1.00 20.47 ? 1201 A1EDM A CAA  1 
HETATM 1016 C  CAE  . A1EDM B 2 .   ? 12.844  4.363   9.602  1.00 20.49 ? 1201 A1EDM A CAE  1 
HETATM 1017 C  CAJ  . A1EDM B 2 .   ? 11.530  5.140   9.830  1.00 19.12 ? 1201 A1EDM A CAJ  1 
HETATM 1018 N  NAD  . A1EDM B 2 .   ? 13.668  3.933   10.559 1.00 21.72 ? 1201 A1EDM A NAD  1 
HETATM 1019 O  OAC  . A1EDM B 2 .   ? 14.739  3.251   9.874  1.00 24.23 ? 1201 A1EDM A OAC  1 
HETATM 1020 C  CAB  . A1EDM B 2 .   ? 14.449  3.341   8.552  1.00 20.34 ? 1201 A1EDM A CAB  1 
HETATM 1021 C  CAI  . A1EDM B 2 .   ? 15.102  2.859   7.535  1.00 19.89 ? 1201 A1EDM A CAI  1 
HETATM 1022 C  CAH  . A1EDM B 2 .   ? 14.567  3.038   6.275  1.00 20.14 ? 1201 A1EDM A CAH  1 
HETATM 1023 N  NAO  . A1EDM B 2 .   ? 13.660  3.653   3.707  1.00 16.23 ? 1201 A1EDM A NAO  1 
HETATM 1024 C  CAN  . A1EDM B 2 .   ? 12.914  3.846   2.635  1.00 17.71 ? 1201 A1EDM A CAN  1 
HETATM 1025 C  CAY  . A1EDM B 2 .   ? 13.371  3.648   1.271  1.00 18.24 ? 1201 A1EDM A CAY  1 
HETATM 1026 C  CAZ  . A1EDM B 2 .   ? 13.594  2.127   1.005  1.00 18.60 ? 1201 A1EDM A CAZ  1 
HETATM 1027 C  CBA  . A1EDM B 2 .   ? 15.043  1.774   1.450  1.00 18.15 ? 1201 A1EDM A CBA  1 
HETATM 1028 C  CBB  . A1EDM B 2 .   ? 16.070  2.630   0.673  1.00 18.47 ? 1201 A1EDM A CBB  1 
HETATM 1029 C  CBC  . A1EDM B 2 .   ? 15.767  4.005   0.738  1.00 17.87 ? 1201 A1EDM A CBC  1 
HETATM 1030 O  OBN  . A1EDM B 2 .   ? 16.635  4.840   0.475  1.00 17.88 ? 1201 A1EDM A OBN  1 
HETATM 1031 N  NBD  . A1EDM B 2 .   ? 14.532  4.465   0.936  1.00 18.55 ? 1201 A1EDM A NBD  1 
HETATM 1032 C  CBE  . A1EDM B 2 .   ? 14.289  5.802   0.964  1.00 21.50 ? 1201 A1EDM A CBE  1 
HETATM 1033 C  CBJ  . A1EDM B 2 .   ? 14.573  6.533   2.104  1.00 22.25 ? 1201 A1EDM A CBJ  1 
HETATM 1034 C  CBI  . A1EDM B 2 .   ? 14.278  7.887   2.081  1.00 26.48 ? 1201 A1EDM A CBI  1 
HETATM 1035 CL CLBM . A1EDM B 2 .   ? 14.598  8.866   3.446  1.00 36.12 ? 1201 A1EDM A CLBM 1 
HETATM 1036 C  CBH  . A1EDM B 2 .   ? 13.686  8.514   1.004  1.00 26.74 ? 1201 A1EDM A CBH  1 
HETATM 1037 O  OBK  . A1EDM B 2 .   ? 13.487  9.850   1.204  1.00 31.66 ? 1201 A1EDM A OBK  1 
HETATM 1038 C  CBL  . A1EDM B 2 .   ? 12.634  10.543  0.279  1.00 33.24 ? 1201 A1EDM A CBL  1 
HETATM 1039 C  CBG  . A1EDM B 2 .   ? 13.384  7.786   -0.134 1.00 24.70 ? 1201 A1EDM A CBG  1 
HETATM 1040 C  CBF  . A1EDM B 2 .   ? 13.696  6.428   -0.116 1.00 22.76 ? 1201 A1EDM A CBF  1 
HETATM 1041 O  O    . HOH   C 3 .   ? 2.924   7.627   25.185 1.00 26.66 ? 1301 HOH   A O    1 
HETATM 1042 O  O    . HOH   C 3 .   ? 23.907  12.950  11.236 1.00 32.96 ? 1302 HOH   A O    1 
HETATM 1043 O  O    . HOH   C 3 .   ? 12.911  3.875   13.178 1.00 20.17 ? 1303 HOH   A O    1 
HETATM 1044 O  O    . HOH   C 3 .   ? 5.662   6.277   24.101 1.00 24.54 ? 1304 HOH   A O    1 
HETATM 1045 O  O    . HOH   C 3 .   ? -0.201  26.665  31.453 1.00 51.13 ? 1305 HOH   A O    1 
HETATM 1046 O  O    . HOH   C 3 .   ? 3.898   -0.071  7.182  1.00 39.14 ? 1306 HOH   A O    1 
HETATM 1047 O  O    . HOH   C 3 .   ? 19.611  -5.265  8.067  1.00 27.47 ? 1307 HOH   A O    1 
HETATM 1048 O  O    . HOH   C 3 .   ? 19.004  16.923  9.543  1.00 24.02 ? 1308 HOH   A O    1 
HETATM 1049 O  O    . HOH   C 3 .   ? 19.209  4.041   7.063  1.00 20.90 ? 1309 HOH   A O    1 
HETATM 1050 O  O    . HOH   C 3 .   ? 23.955  13.081  15.786 1.00 29.10 ? 1310 HOH   A O    1 
HETATM 1051 O  O    . HOH   C 3 .   ? 0.403   8.647   7.868  1.00 29.92 ? 1311 HOH   A O    1 
HETATM 1052 O  O    . HOH   C 3 .   ? 6.349   6.017   5.484  1.00 28.18 ? 1312 HOH   A O    1 
HETATM 1053 O  O    . HOH   C 3 .   ? 12.209  1.048   20.607 1.00 14.24 ? 1313 HOH   A O    1 
HETATM 1054 O  O    . HOH   C 3 .   ? -6.008  11.071  22.957 1.00 31.13 ? 1314 HOH   A O    1 
HETATM 1055 O  O    . HOH   C 3 .   ? -7.099  13.224  30.958 1.00 19.23 ? 1315 HOH   A O    1 
HETATM 1056 O  O    . HOH   C 3 .   ? 0.233   22.699  11.950 1.00 31.72 ? 1316 HOH   A O    1 
HETATM 1057 O  O    . HOH   C 3 .   ? 8.242   4.965   10.034 1.00 33.47 ? 1317 HOH   A O    1 
HETATM 1058 O  O    . HOH   C 3 .   ? 17.197  -0.804  2.494  1.00 24.27 ? 1318 HOH   A O    1 
HETATM 1059 O  O    . HOH   C 3 .   ? 9.779   3.101   14.887 1.00 17.95 ? 1319 HOH   A O    1 
HETATM 1060 O  O    . HOH   C 3 .   ? 2.862   4.056   23.055 1.00 23.62 ? 1320 HOH   A O    1 
HETATM 1061 O  O    . HOH   C 3 .   ? 11.100  5.602   13.922 1.00 13.69 ? 1321 HOH   A O    1 
HETATM 1062 O  O    . HOH   C 3 .   ? 5.124   1.978   13.944 1.00 26.00 ? 1322 HOH   A O    1 
HETATM 1063 O  O    . HOH   C 3 .   ? 13.246  -6.943  11.763 1.00 17.51 ? 1323 HOH   A O    1 
HETATM 1064 O  O    . HOH   C 3 .   ? 19.908  -0.824  7.373  1.00 25.35 ? 1324 HOH   A O    1 
HETATM 1065 O  O    . HOH   C 3 .   ? 9.508   7.922   24.721 1.00 26.68 ? 1325 HOH   A O    1 
HETATM 1066 O  O    . HOH   C 3 .   ? 7.119   -0.869  12.521 1.00 26.90 ? 1326 HOH   A O    1 
HETATM 1067 O  O    . HOH   C 3 .   ? 21.543  14.503  12.151 1.00 25.09 ? 1327 HOH   A O    1 
HETATM 1068 O  O    . HOH   C 3 .   ? 22.133  -5.656  13.131 1.00 16.85 ? 1328 HOH   A O    1 
HETATM 1069 O  O    . HOH   C 3 .   ? -1.729  22.200  10.949 1.00 36.50 ? 1329 HOH   A O    1 
HETATM 1070 O  O    . HOH   C 3 .   ? 17.972  7.011   20.167 1.00 18.12 ? 1330 HOH   A O    1 
HETATM 1071 O  O    . HOH   C 3 .   ? 8.854   5.862   12.350 1.00 18.68 ? 1331 HOH   A O    1 
HETATM 1072 O  O    . HOH   C 3 .   ? 21.665  7.272   3.653  1.00 25.91 ? 1332 HOH   A O    1 
HETATM 1073 O  O    . HOH   C 3 .   ? 14.380  -0.667  21.138 1.00 23.74 ? 1333 HOH   A O    1 
HETATM 1074 O  O    . HOH   C 3 .   ? 7.698   1.052   6.009  1.00 28.33 ? 1334 HOH   A O    1 
HETATM 1075 O  O    . HOH   C 3 .   ? 8.233   20.361  3.030  1.00 34.98 ? 1335 HOH   A O    1 
HETATM 1076 O  O    . HOH   C 3 .   ? 8.403   3.813   6.456  1.00 34.58 ? 1336 HOH   A O    1 
HETATM 1077 O  O    . HOH   C 3 .   ? 16.528  3.843   3.589  1.00 20.76 ? 1337 HOH   A O    1 
HETATM 1078 O  O    . HOH   C 3 .   ? 21.747  3.604   8.394  1.00 21.82 ? 1338 HOH   A O    1 
HETATM 1079 O  O    . HOH   C 3 .   ? 5.252   0.380   20.219 1.00 36.82 ? 1339 HOH   A O    1 
HETATM 1080 O  O    . HOH   C 3 .   ? 19.190  -2.410  3.170  1.00 32.22 ? 1340 HOH   A O    1 
HETATM 1081 O  O    . HOH   C 3 .   ? 7.462   1.894   12.924 1.00 24.89 ? 1341 HOH   A O    1 
HETATM 1082 O  O    . HOH   C 3 .   ? 18.834  6.176   5.208  1.00 19.12 ? 1342 HOH   A O    1 
HETATM 1083 O  O    . HOH   C 3 .   ? 17.914  6.338   2.891  1.00 34.17 ? 1343 HOH   A O    1 
HETATM 1084 O  O    . HOH   C 3 .   ? 17.652  1.409   3.721  1.00 21.13 ? 1344 HOH   A O    1 
HETATM 1085 O  O    . HOH   C 3 .   ? 18.241  0.000   -0.000 0.50 22.88 ? 1345 HOH   A O    1 
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