data_9JL7
# 
_entry.id   9JL7 
# 
_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   9JL7         pdb_00009jl7 10.2210/pdb9jl7/pdb 
WWPDB D_1300051611 ?            ?                   
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
_pdbx_audit_revision_history.part_number 
1 'Structure model' 1 0 2025-03-12 ? 
2 'Structure model' 1 1 2025-04-09 ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_audit_revision_group.ordinal             1 
_pdbx_audit_revision_group.revision_ordinal    2 
_pdbx_audit_revision_group.data_content_type   'Structure model' 
_pdbx_audit_revision_group.group               'Database references' 
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1 2 'Structure model' citation        
2 2 'Structure model' citation_author 
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1 2 'Structure model' '_citation.journal_volume'          
2 2 'Structure model' '_citation.page_first'              
3 2 'Structure model' '_citation.page_last'               
4 2 'Structure model' '_citation_author.identifier_ORCID' 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9JL7 
_pdbx_database_status.recvd_initial_deposition_date   2024-09-18 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBJ 
_pdbx_database_status.process_site                    PDBJ 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_contact_author.id                 3 
_pdbx_contact_author.email              mhho@nchu.edu.tw 
_pdbx_contact_author.name_first         Ming-Hon 
_pdbx_contact_author.name_last          Hou 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0003-4170-1527 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Li, H.J.'      1 ? 
'Satange, R.B.' 2 ? 
'Hou, M.H.'     3 ? 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   US 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            J.Med.Chem. 
_citation.journal_id_ASTM           JMCMAR 
_citation.journal_id_CSD            0151 
_citation.journal_id_ISSN           0022-2623 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            68 
_citation.language                  ? 
_citation.page_first                6601 
_citation.page_last                 6615 
_citation.title                     
;Structural and Functional Insights into Targeting GCCG Sites in the EGFR Promoter by Two DNA Intercalators to Inhibit Breast Cancer Metastasis.
;
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1021/acs.jmedchem.4c03203 
_citation.pdbx_database_id_PubMed   40032551 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Chang, C.C.' 1 ? 
primary 'Li, H.J.'    2 ? 
primary 'Satange, R.' 3 ? 
primary 'Lin, S.M.'   4 ? 
primary 'Chen, T.L.'  5 ? 
primary 'Lin, C.C.'   6 ? 
primary 'Neidle, S.'  7 ? 
primary 'Hou, M.H.'   8 ? 
# 
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     syn 
;DNA (5'-D(P*AP*GP*CP*CP*GP*T)-3')
;
1809.217 1  ? ? ? ? 
2 polymer     syn 
;DNA (5'-D(P*AP*CP*GP*GP*CP*T)-3')
;
1809.217 1  ? ? ? ? 
3 polymer     syn 'Actinomycin D'                     1291.446 1  ? ? ? ? 
4 non-polymer syn DOXORUBICIN                         543.519  1  ? ? ? ? 
5 non-polymer syn 'MANGANESE (II) ION'                54.938   3  ? ? ? ? 
6 non-polymer syn 'CHLORIDE ION'                      35.453   1  ? ? ? ? 
7 water       nat water                               18.015   90 ? ? ? ? 
# 
loop_
_entity_poly.entity_id 
_entity_poly.type 
_entity_poly.nstd_linkage 
_entity_poly.nstd_monomer 
_entity_poly.pdbx_seq_one_letter_code 
_entity_poly.pdbx_seq_one_letter_code_can 
_entity_poly.pdbx_strand_id 
_entity_poly.pdbx_target_identifier 
1 polydeoxyribonucleotide no no  '(DA)(DG)(DC)(DC)(DG)(DT)'                AGCCGT      A ? 
2 polydeoxyribonucleotide no no  '(DA)(DC)(DG)(DG)(DC)(DT)'                ACGGCT      B ? 
3 'polypeptide(L)'        no yes 'T(DVA)P(SAR)(MVA)(PXZ)T(DVA)P(SAR)(MVA)' TVPGVXTVPGV G ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
4 DOXORUBICIN          DM2 
5 'MANGANESE (II) ION' MN  
6 'CHLORIDE ION'       CL  
7 water                HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1  DA  n 
1 2  DG  n 
1 3  DC  n 
1 4  DC  n 
1 5  DG  n 
1 6  DT  n 
2 1  DA  n 
2 2  DC  n 
2 3  DG  n 
2 4  DG  n 
2 5  DC  n 
2 6  DT  n 
3 1  THR n 
3 2  DVA n 
3 3  PRO n 
3 4  SAR n 
3 5  MVA n 
3 6  PXZ n 
3 7  THR n 
3 8  DVA n 
3 9  PRO n 
3 10 SAR n 
3 11 MVA n 
# 
loop_
_pdbx_entity_src_syn.entity_id 
_pdbx_entity_src_syn.pdbx_src_id 
_pdbx_entity_src_syn.pdbx_alt_source_flag 
_pdbx_entity_src_syn.pdbx_beg_seq_num 
_pdbx_entity_src_syn.pdbx_end_seq_num 
_pdbx_entity_src_syn.organism_scientific 
_pdbx_entity_src_syn.organism_common_name 
_pdbx_entity_src_syn.ncbi_taxonomy_id 
_pdbx_entity_src_syn.details 
1 1 sample 1 6  'synthetic construct'   ? 32630  ? 
2 1 sample 1 6  'synthetic construct'   ? 32630  ? 
3 1 sample 1 11 'Streptomyces parvulus' ? 146923 ? 
# 
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 
CL  non-polymer         . 'CHLORIDE ION'                                                  ?           'Cl -1'           35.453  
DA  'DNA linking'       y "2'-DEOXYADENOSINE-5'-MONOPHOSPHATE"                            ?           'C10 H14 N5 O6 P' 331.222 
DC  'DNA linking'       y "2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE"                             ?           'C9 H14 N3 O7 P'  307.197 
DG  'DNA linking'       y "2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE"                            ?           'C10 H14 N5 O7 P' 347.221 
DM2 non-polymer         . DOXORUBICIN                                                     ADRIAMYCIN  'C27 H29 N O11'   543.519 
DT  'DNA linking'       y "THYMIDINE-5'-MONOPHOSPHATE"                                    ?           'C10 H15 N2 O8 P' 322.208 
DVA 'D-peptide linking' . D-VALINE                                                        ?           'C5 H11 N O2'     117.146 
HOH non-polymer         . WATER                                                           ?           'H2 O'            18.015  
MN  non-polymer         . 'MANGANESE (II) ION'                                            ?           'Mn 2'            54.938  
MVA 'L-peptide linking' n N-METHYLVALINE                                                  ?           'C6 H13 N O2'     131.173 
PRO 'L-peptide linking' y PROLINE                                                         ?           'C5 H9 N O2'      115.130 
PXZ non-polymer         . 2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-10-DEHYDRO-PHENOXAZIN-3-ONE PHENOXAZINE 'C16 H12 N2 O6'   328.276 
SAR 'peptide linking'   n SARCOSINE                                                       ?           'C3 H7 N O2'      89.093  
THR 'L-peptide linking' y THREONINE                                                       ?           'C4 H9 N O3'      119.119 
# 
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  DA  1  1  1  DA  DA  A . n 
A 1 2  DG  2  2  2  DG  DG  A . n 
A 1 3  DC  3  3  3  DC  DC  A . n 
A 1 4  DC  4  4  4  DC  DC  A . n 
A 1 5  DG  5  5  5  DG  DG  A . n 
A 1 6  DT  6  6  6  DT  DT  A . n 
B 2 1  DA  1  2  2  DA  DA  B . n 
B 2 2  DC  2  3  3  DC  DC  B . n 
B 2 3  DG  3  4  4  DG  DG  B . n 
B 2 4  DG  4  5  5  DG  DG  B . n 
B 2 5  DC  5  6  6  DC  DC  B . n 
B 2 6  DT  6  7  7  DT  DT  B . n 
C 3 1  THR 1  1  1  THR THR G . n 
C 3 2  DVA 2  2  2  DVA DVA G . n 
C 3 3  PRO 3  3  3  PRO PRO G . n 
C 3 4  SAR 4  4  4  SAR SAR G . n 
C 3 5  MVA 5  5  5  MVA MVA G . n 
C 3 6  PXZ 6  6  6  PXZ PXF G . n 
C 3 7  THR 7  7  7  THR THR G . n 
C 3 8  DVA 8  8  8  DVA DVA G . n 
C 3 9  PRO 9  9  9  PRO PRO G . n 
C 3 10 SAR 10 10 10 SAR SAR G . n 
C 3 11 MVA 11 11 11 MVA MVA G . n 
# 
loop_
_pdbx_entity_instance_feature.ordinal 
_pdbx_entity_instance_feature.comp_id 
_pdbx_entity_instance_feature.asym_id 
_pdbx_entity_instance_feature.seq_num 
_pdbx_entity_instance_feature.auth_comp_id 
_pdbx_entity_instance_feature.auth_asym_id 
_pdbx_entity_instance_feature.auth_seq_num 
_pdbx_entity_instance_feature.feature_type 
_pdbx_entity_instance_feature.details 
1 CL  ? ? CL  ? ? 'SUBJECT OF INVESTIGATION' ? 
2 DM2 ? ? DM2 ? ? 'SUBJECT OF INVESTIGATION' ? 
3 DVA ? ? DVA ? ? 'SUBJECT OF INVESTIGATION' ? 
4 MVA ? ? MVA ? ? 'SUBJECT OF INVESTIGATION' ? 
5 PXZ ? ? PXZ ? ? 'SUBJECT OF INVESTIGATION' ? 
6 SAR ? ? SAR ? ? 'SUBJECT OF INVESTIGATION' ? 
# 
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 
D 4 DM2 1  101 101 DM2 DM2 A . 
E 5 MN  1  102 2   MN  MN  A . 
F 5 MN  1  103 3   MN  MN  A . 
G 5 MN  1  101 1   MN  MN  B . 
H 6 CL  1  102 2   CL  CL  B . 
I 7 HOH 1  201 69  HOH HOH A . 
I 7 HOH 2  202 64  HOH HOH A . 
I 7 HOH 3  203 33  HOH HOH A . 
I 7 HOH 4  204 50  HOH HOH A . 
I 7 HOH 5  205 41  HOH HOH A . 
I 7 HOH 6  206 16  HOH HOH A . 
I 7 HOH 7  207 68  HOH HOH A . 
I 7 HOH 8  208 6   HOH HOH A . 
I 7 HOH 9  209 40  HOH HOH A . 
I 7 HOH 10 210 38  HOH HOH A . 
I 7 HOH 11 211 8   HOH HOH A . 
I 7 HOH 12 212 93  HOH HOH A . 
I 7 HOH 13 213 23  HOH HOH A . 
I 7 HOH 14 214 78  HOH HOH A . 
I 7 HOH 15 215 87  HOH HOH A . 
I 7 HOH 16 216 73  HOH HOH A . 
I 7 HOH 17 217 15  HOH HOH A . 
I 7 HOH 18 218 17  HOH HOH A . 
I 7 HOH 19 219 13  HOH HOH A . 
I 7 HOH 20 220 12  HOH HOH A . 
I 7 HOH 21 221 14  HOH HOH A . 
I 7 HOH 22 222 53  HOH HOH A . 
I 7 HOH 23 223 46  HOH HOH A . 
I 7 HOH 24 224 82  HOH HOH A . 
I 7 HOH 25 225 71  HOH HOH A . 
I 7 HOH 26 226 37  HOH HOH A . 
I 7 HOH 27 227 63  HOH HOH A . 
I 7 HOH 28 228 77  HOH HOH A . 
I 7 HOH 29 229 85  HOH HOH A . 
I 7 HOH 30 230 59  HOH HOH A . 
I 7 HOH 31 231 57  HOH HOH A . 
I 7 HOH 32 232 67  HOH HOH A . 
I 7 HOH 33 233 91  HOH HOH A . 
I 7 HOH 34 234 55  HOH HOH A . 
I 7 HOH 35 235 26  HOH HOH A . 
I 7 HOH 36 236 48  HOH HOH A . 
I 7 HOH 37 237 22  HOH HOH A . 
I 7 HOH 38 238 80  HOH HOH A . 
I 7 HOH 39 239 83  HOH HOH A . 
I 7 HOH 40 240 52  HOH HOH A . 
I 7 HOH 41 241 44  HOH HOH A . 
I 7 HOH 42 242 47  HOH HOH A . 
I 7 HOH 43 243 81  HOH HOH A . 
I 7 HOH 44 244 58  HOH HOH A . 
J 7 HOH 1  201 34  HOH HOH B . 
J 7 HOH 2  202 1   HOH HOH B . 
J 7 HOH 3  203 43  HOH HOH B . 
J 7 HOH 4  204 7   HOH HOH B . 
J 7 HOH 5  205 30  HOH HOH B . 
J 7 HOH 6  206 45  HOH HOH B . 
J 7 HOH 7  207 60  HOH HOH B . 
J 7 HOH 8  208 21  HOH HOH B . 
J 7 HOH 9  209 2   HOH HOH B . 
J 7 HOH 10 210 4   HOH HOH B . 
J 7 HOH 11 211 9   HOH HOH B . 
J 7 HOH 12 212 10  HOH HOH B . 
J 7 HOH 13 213 11  HOH HOH B . 
J 7 HOH 14 214 5   HOH HOH B . 
J 7 HOH 15 215 3   HOH HOH B . 
J 7 HOH 16 216 25  HOH HOH B . 
J 7 HOH 17 217 24  HOH HOH B . 
J 7 HOH 18 218 51  HOH HOH B . 
J 7 HOH 19 219 90  HOH HOH B . 
J 7 HOH 20 220 20  HOH HOH B . 
J 7 HOH 21 221 56  HOH HOH B . 
J 7 HOH 22 222 28  HOH HOH B . 
J 7 HOH 23 223 32  HOH HOH B . 
J 7 HOH 24 224 62  HOH HOH B . 
J 7 HOH 25 225 54  HOH HOH B . 
J 7 HOH 26 226 79  HOH HOH B . 
J 7 HOH 27 227 27  HOH HOH B . 
J 7 HOH 28 228 29  HOH HOH B . 
J 7 HOH 29 229 36  HOH HOH B . 
J 7 HOH 30 230 70  HOH HOH B . 
J 7 HOH 31 231 72  HOH HOH B . 
J 7 HOH 32 232 66  HOH HOH B . 
J 7 HOH 33 233 76  HOH HOH B . 
K 7 HOH 1  101 39  HOH HOH G . 
K 7 HOH 2  102 35  HOH HOH G . 
K 7 HOH 3  103 42  HOH HOH G . 
K 7 HOH 4  104 18  HOH HOH G . 
K 7 HOH 5  105 19  HOH HOH G . 
K 7 HOH 6  106 61  HOH HOH G . 
K 7 HOH 7  107 86  HOH HOH G . 
K 7 HOH 8  108 49  HOH HOH G . 
K 7 HOH 9  109 89  HOH HOH G . 
K 7 HOH 10 110 65  HOH HOH G . 
K 7 HOH 11 111 31  HOH HOH G . 
K 7 HOH 12 112 84  HOH HOH G . 
K 7 HOH 13 113 74  HOH HOH G . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 0 A DA 1 ? P ? A DA 1 P 
2 1 Y 0 B DA 2 ? P ? B DA 1 P 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX   ? ? ? 1.20.1-4487 1 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? .           2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? .           3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHENIX   ? ? ? 1.20.1-4487 4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  120.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9JL7 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     27.002 
_cell.length_a_esd                 ? 
_cell.length_b                     27.002 
_cell.length_b_esd                 ? 
_cell.length_c                     205.993 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        12 
_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                         9JL7 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                179 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 65 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                   9JL7 
_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          44.28 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    
'0.125mM duplex oligonucleotide, 0.125mM actinomycin D, 0.125mM doxorubicin, 30mM LiCl, 3mM MnCl2, 25mM MES (pH 6.5), 3% PEG 400' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     CCD 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'RAYONIX MX300HE' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2021-08-27 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.0000 
_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                        'NSRRC BEAMLINE BL15A1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.0000 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   BL15A1 
_diffrn_source.pdbx_synchrotron_site       NSRRC 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9JL7 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.52 
_reflns.d_resolution_low                               30.00 
_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                                     7813 
_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                                34.5 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          11.8 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   ? 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.070 
_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                                    1.52 
_reflns_shell.d_res_low                                     1.57 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             729 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               38.8 
_reflns_shell.pdbx_chi_squared                              1.096 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               0.455 
_reflns_shell.pdbx_Rpim_I_all                               0.072 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.994 
_reflns_shell.pdbx_CC_star                                  0.998 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          100.0 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.449 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               ? 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9JL7 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.52 
_refine.ls_d_res_low                             22.14 
_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                     7709 
_refine.ls_number_reflns_R_free                  772 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.77 
_refine.ls_percent_reflns_R_free                 10.01 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2038 
_refine.ls_R_factor_R_free                       0.2131 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2025 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.34 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               NONE 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ML 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.11 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.90 
_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                 21.54 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            0.11 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.52 
_refine_hist.d_res_low                        22.14 
_refine_hist.number_atoms_solvent             90 
_refine_hist.number_atoms_total               469 
_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        90 
_refine_hist.pdbx_number_atoms_nucleic_acid   246 
_refine_hist.pdbx_number_atoms_ligand         43 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.012  ? 409 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 2.071  ? 617 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 32.737 ? 142 ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.987  ? 66  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.016  ? 30  ? f_plane_restr      ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.52 1.62  . . 121 1091 100.00 . . . . 0.2182 . . . . . . . . . . . 0.2621 
'X-RAY DIFFRACTION' 1.62 1.74  . . 124 1107 100.00 . . . . 0.1905 . . . . . . . . . . . 0.2466 
'X-RAY DIFFRACTION' 1.74 1.91  . . 125 1126 100.00 . . . . 0.1916 . . . . . . . . . . . 0.2332 
'X-RAY DIFFRACTION' 1.92 2.19  . . 126 1131 100.00 . . . . 0.2111 . . . . . . . . . . . 0.2408 
'X-RAY DIFFRACTION' 2.19 2.76  . . 132 1189 100.00 . . . . 0.2255 . . . . . . . . . . . 0.2051 
'X-RAY DIFFRACTION' 2.76 22.14 . . 144 1293 99.00  . . . . 0.1922 . . . . . . . . . . . 0.1909 
# 
_struct.entry_id                     9JL7 
_struct.title                        'Crystal structure of Actinomycin D-Doxorubicin-d(AGCCGT)2 DNA ternary complex' 
_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        9JL7 
_struct_keywords.text            'Drug-DNA complex, Actinomycin D, Doxorubicin, DNA, DNA-ANTIBIOTIC complex' 
_struct_keywords.pdbx_keywords   DNA/ANTIBIOTIC 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
E N N 5 ? 
F N N 5 ? 
G N N 5 ? 
H N N 6 ? 
I N N 7 ? 
J N N 7 ? 
K N N 7 ? 
# 
loop_
_struct_ref.id 
_struct_ref.db_name 
_struct_ref.db_code 
_struct_ref.pdbx_db_accession 
_struct_ref.pdbx_db_isoform 
_struct_ref.entity_id 
_struct_ref.pdbx_seq_one_letter_code 
_struct_ref.pdbx_align_begin 
1 PDB 9JL7 9JL7     ? 1 ? 1 
2 PDB 9JL7 9JL7     ? 2 ? 1 
3 NOR 9JL7 NOR00228 ? 3 ? 1 
# 
loop_
_struct_ref_seq.align_id 
_struct_ref_seq.ref_id 
_struct_ref_seq.pdbx_PDB_id_code 
_struct_ref_seq.pdbx_strand_id 
_struct_ref_seq.seq_align_beg 
_struct_ref_seq.pdbx_seq_align_beg_ins_code 
_struct_ref_seq.seq_align_end 
_struct_ref_seq.pdbx_seq_align_end_ins_code 
_struct_ref_seq.pdbx_db_accession 
_struct_ref_seq.db_align_beg 
_struct_ref_seq.pdbx_db_align_beg_ins_code 
_struct_ref_seq.db_align_end 
_struct_ref_seq.pdbx_db_align_end_ins_code 
_struct_ref_seq.pdbx_auth_seq_align_beg 
_struct_ref_seq.pdbx_auth_seq_align_end 
1 1 9JL7 A 1 ? 6  ? 9JL7 1 ? 6  ? 1 6  
2 2 9JL7 B 1 ? 6  ? 9JL7 2 ? 7  ? 2 7  
3 3 9JL7 G 1 ? 11 ? 9JL7 1 ? 11 ? 1 11 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   trimeric 
_pdbx_struct_assembly.oligomeric_count     3 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G,H,I,J,K 
# 
_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_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
covale1  covale both ? C THR 1  C     ? ? ? 1_555 C DVA 2  N  ? ? G THR 1   G DVA 2   1_555 ? ? ? ? ? ? ?            1.317 ? ? 
covale2  covale one  ? C THR 1  OG1   ? ? ? 1_555 C MVA 5  C  ? ? G THR 1   G MVA 5   1_555 ? ? ? ? ? ? ?            1.368 ? ? 
covale3  covale both ? C THR 1  N     ? ? ? 1_555 C PXZ 6  C0 ? ? G THR 1   G PXZ 6   1_555 ? ? ? ? ? ? ?            1.425 ? ? 
covale4  covale both ? C DVA 2  C     ? ? ? 1_555 C PRO 3  N  ? ? G DVA 2   G PRO 3   1_555 ? ? ? ? ? ? ?            1.343 ? ? 
covale5  covale both ? C PRO 3  C     ? ? ? 1_555 C SAR 4  N  ? ? G PRO 3   G SAR 4   1_555 ? ? ? ? ? ? ?            1.326 ? ? 
covale6  covale both ? C SAR 4  C     ? ? ? 1_555 C MVA 5  N  ? ? G SAR 4   G MVA 5   1_555 ? ? ? ? ? ? ?            1.335 ? ? 
covale7  covale both ? C PXZ 6  "C0'" ? ? ? 1_555 C THR 7  N  ? ? G PXZ 6   G THR 7   1_555 ? ? ? ? ? ? ?            1.423 ? ? 
covale8  covale both ? C THR 7  C     ? ? ? 1_555 C DVA 8  N  ? ? G THR 7   G DVA 8   1_555 ? ? ? ? ? ? ?            1.317 ? ? 
covale9  covale one  ? C THR 7  OG1   ? ? ? 1_555 C MVA 11 C  ? ? G THR 7   G MVA 11  1_555 ? ? ? ? ? ? ?            1.360 ? ? 
covale10 covale both ? C DVA 8  C     ? ? ? 1_555 C PRO 9  N  ? ? G DVA 8   G PRO 9   1_555 ? ? ? ? ? ? ?            1.352 ? ? 
covale11 covale both ? C PRO 9  C     ? ? ? 1_555 C SAR 10 N  ? ? G PRO 9   G SAR 10  1_555 ? ? ? ? ? ? ?            1.331 ? ? 
covale12 covale both ? C SAR 10 C     ? ? ? 1_555 C MVA 11 N  ? ? G SAR 10  G MVA 11  1_555 ? ? ? ? ? ? ?            1.324 ? ? 
metalc1  metalc ?    ? A DG  5  N7    ? ? ? 1_555 F MN  .  MN ? ? A DG  5   A MN  103 1_555 ? ? ? ? ? ? ?            2.431 ? ? 
metalc2  metalc ?    ? E MN  .  MN    ? ? ? 1_555 I HOH .  O  ? ? A MN  102 A HOH 206 1_555 ? ? ? ? ? ? ?            2.320 ? ? 
metalc3  metalc ?    ? E MN  .  MN    ? ? ? 1_555 I HOH .  O  ? ? A MN  102 A HOH 208 1_555 ? ? ? ? ? ? ?            2.074 ? ? 
metalc4  metalc ?    ? E MN  .  MN    ? ? ? 1_555 I HOH .  O  ? ? A MN  102 A HOH 216 1_555 ? ? ? ? ? ? ?            1.928 ? ? 
metalc5  metalc ?    ? E MN  .  MN    ? ? ? 1_555 I HOH .  O  ? ? A MN  102 A HOH 240 1_555 ? ? ? ? ? ? ?            2.180 ? ? 
metalc6  metalc ?    ? E MN  .  MN    ? ? ? 1_555 I HOH .  O  ? ? A MN  102 A HOH 241 1_555 ? ? ? ? ? ? ?            2.133 ? ? 
metalc7  metalc ?    ? E MN  .  MN    ? ? ? 1_555 I HOH .  O  ? ? A MN  102 A HOH 242 1_555 ? ? ? ? ? ? ?            2.256 ? ? 
metalc8  metalc ?    ? F MN  .  MN    ? ? ? 1_555 I HOH .  O  ? ? A MN  103 A HOH 210 1_555 ? ? ? ? ? ? ?            2.281 ? ? 
metalc9  metalc ?    ? F MN  .  MN    ? ? ? 1_555 I HOH .  O  ? ? A MN  103 A HOH 212 1_555 ? ? ? ? ? ? ?            2.256 ? ? 
metalc10 metalc ?    ? F MN  .  MN    ? ? ? 1_555 I HOH .  O  ? ? A MN  103 A HOH 213 1_555 ? ? ? ? ? ? ?            2.335 ? ? 
metalc11 metalc ?    ? F MN  .  MN    ? ? ? 1_555 I HOH .  O  ? ? A MN  103 A HOH 222 1_555 ? ? ? ? ? ? ?            2.167 ? ? 
metalc12 metalc ?    ? F MN  .  MN    ? ? ? 1_555 I HOH .  O  ? ? A MN  103 A HOH 235 1_555 ? ? ? ? ? ? ?            2.219 ? ? 
metalc13 metalc ?    ? I HOH .  O     ? ? ? 1_555 G MN  .  MN ? ? A HOH 219 B MN  101 1_555 ? ? ? ? ? ? ?            2.141 ? ? 
metalc14 metalc ?    ? B DG  3  N7    ? ? ? 1_555 G MN  .  MN ? ? B DG  4   B MN  101 1_555 ? ? ? ? ? ? ?            2.297 ? ? 
metalc15 metalc ?    ? G MN  .  MN    ? ? ? 1_555 J HOH .  O  ? ? B MN  101 B HOH 202 1_555 ? ? ? ? ? ? ?            2.070 ? ? 
metalc16 metalc ?    ? G MN  .  MN    ? ? ? 1_555 J HOH .  O  ? ? B MN  101 B HOH 217 1_555 ? ? ? ? ? ? ?            2.378 ? ? 
metalc17 metalc ?    ? G MN  .  MN    ? ? ? 1_555 J HOH .  O  ? ? B MN  101 B HOH 220 1_555 ? ? ? ? ? ? ?            2.191 ? ? 
metalc18 metalc ?    ? G MN  .  MN    ? ? ? 1_555 J HOH .  O  ? ? B MN  101 B HOH 228 1_555 ? ? ? ? ? ? ?            2.102 ? ? 
hydrog1  hydrog ?    ? A DA  1  N1    ? ? ? 1_555 B DT  6  N3 ? ? A DA  1   B DT  7   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog2  hydrog ?    ? A DA  1  N6    ? ? ? 1_555 B DT  6  O4 ? ? A DA  1   B DT  7   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog3  hydrog ?    ? A DG  2  N1    ? ? ? 1_555 B DC  5  N3 ? ? A DG  2   B DC  6   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog4  hydrog ?    ? A DG  2  N2    ? ? ? 1_555 B DC  5  O2 ? ? A DG  2   B DC  6   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog5  hydrog ?    ? A DG  2  O6    ? ? ? 1_555 B DC  5  N4 ? ? A DG  2   B DC  6   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog6  hydrog ?    ? A DC  3  N3    ? ? ? 1_555 B DG  4  N1 ? ? A DC  3   B DG  5   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog7  hydrog ?    ? A DC  3  N4    ? ? ? 1_555 B DG  4  O6 ? ? A DC  3   B DG  5   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog8  hydrog ?    ? A DC  3  O2    ? ? ? 1_555 B DG  4  N2 ? ? A DC  3   B DG  5   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog9  hydrog ?    ? A DC  4  N3    ? ? ? 1_555 B DG  3  N1 ? ? A DC  4   B DG  4   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog10 hydrog ?    ? A DC  4  N4    ? ? ? 1_555 B DG  3  O6 ? ? A DC  4   B DG  4   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog11 hydrog ?    ? A DC  4  O2    ? ? ? 1_555 B DG  3  N2 ? ? A DC  4   B DG  4   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog12 hydrog ?    ? A DG  5  N1    ? ? ? 1_555 B DC  2  N3 ? ? A DG  5   B DC  3   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog13 hydrog ?    ? A DG  5  N2    ? ? ? 1_555 B DC  2  O2 ? ? A DG  5   B DC  3   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog14 hydrog ?    ? A DG  5  O6    ? ? ? 1_555 B DC  2  N4 ? ? A DG  5   B DC  3   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog15 hydrog ?    ? A DT  6  N3    ? ? ? 1_555 B DA  1  N1 ? ? A DT  6   B DA  2   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog16 hydrog ?    ? A DT  6  O4    ? ? ? 1_555 B DA  1  N6 ? ? A DT  6   B DA  2   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
covale ? ? 
metalc ? ? 
hydrog ? ? 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1  N7 ? A DG  5 ? A DG  5   ? 1_555 MN ? F MN . ? A MN 103 ? 1_555 O  ? I HOH . ? A HOH 210 ? 1_555 101.2 ? 
2  N7 ? A DG  5 ? A DG  5   ? 1_555 MN ? F MN . ? A MN 103 ? 1_555 O  ? I HOH . ? A HOH 212 ? 1_555 71.8  ? 
3  O  ? I HOH . ? A HOH 210 ? 1_555 MN ? F MN . ? A MN 103 ? 1_555 O  ? I HOH . ? A HOH 212 ? 1_555 169.7 ? 
4  N7 ? A DG  5 ? A DG  5   ? 1_555 MN ? F MN . ? A MN 103 ? 1_555 O  ? I HOH . ? A HOH 213 ? 1_555 94.2  ? 
5  O  ? I HOH . ? A HOH 210 ? 1_555 MN ? F MN . ? A MN 103 ? 1_555 O  ? I HOH . ? A HOH 213 ? 1_555 87.2  ? 
6  O  ? I HOH . ? A HOH 212 ? 1_555 MN ? F MN . ? A MN 103 ? 1_555 O  ? I HOH . ? A HOH 213 ? 1_555 85.7  ? 
7  N7 ? A DG  5 ? A DG  5   ? 1_555 MN ? F MN . ? A MN 103 ? 1_555 O  ? I HOH . ? A HOH 222 ? 1_555 83.0  ? 
8  O  ? I HOH . ? A HOH 210 ? 1_555 MN ? F MN . ? A MN 103 ? 1_555 O  ? I HOH . ? A HOH 222 ? 1_555 99.7  ? 
9  O  ? I HOH . ? A HOH 212 ? 1_555 MN ? F MN . ? A MN 103 ? 1_555 O  ? I HOH . ? A HOH 222 ? 1_555 87.2  ? 
10 O  ? I HOH . ? A HOH 213 ? 1_555 MN ? F MN . ? A MN 103 ? 1_555 O  ? I HOH . ? A HOH 222 ? 1_555 172.9 ? 
11 N7 ? A DG  5 ? A DG  5   ? 1_555 MN ? F MN . ? A MN 103 ? 1_555 O  ? I HOH . ? A HOH 235 ? 1_555 175.0 ? 
12 O  ? I HOH . ? A HOH 210 ? 1_555 MN ? F MN . ? A MN 103 ? 1_555 O  ? I HOH . ? A HOH 235 ? 1_555 83.5  ? 
13 O  ? I HOH . ? A HOH 212 ? 1_555 MN ? F MN . ? A MN 103 ? 1_555 O  ? I HOH . ? A HOH 235 ? 1_555 103.3 ? 
14 O  ? I HOH . ? A HOH 213 ? 1_555 MN ? F MN . ? A MN 103 ? 1_555 O  ? I HOH . ? A HOH 235 ? 1_555 84.5  ? 
15 O  ? I HOH . ? A HOH 222 ? 1_555 MN ? F MN . ? A MN 103 ? 1_555 O  ? I HOH . ? A HOH 235 ? 1_555 97.7  ? 
16 O  ? I HOH . ? A HOH 206 ? 1_555 MN ? E MN . ? A MN 102 ? 1_555 O  ? I HOH . ? A HOH 208 ? 1_555 89.2  ? 
17 O  ? I HOH . ? A HOH 206 ? 1_555 MN ? E MN . ? A MN 102 ? 1_555 O  ? I HOH . ? A HOH 216 ? 1_555 85.6  ? 
18 O  ? I HOH . ? A HOH 208 ? 1_555 MN ? E MN . ? A MN 102 ? 1_555 O  ? I HOH . ? A HOH 216 ? 1_555 94.2  ? 
19 O  ? I HOH . ? A HOH 206 ? 1_555 MN ? E MN . ? A MN 102 ? 1_555 O  ? I HOH . ? A HOH 240 ? 1_555 81.7  ? 
20 O  ? I HOH . ? A HOH 208 ? 1_555 MN ? E MN . ? A MN 102 ? 1_555 O  ? I HOH . ? A HOH 240 ? 1_555 167.7 ? 
21 O  ? I HOH . ? A HOH 216 ? 1_555 MN ? E MN . ? A MN 102 ? 1_555 O  ? I HOH . ? A HOH 240 ? 1_555 93.4  ? 
22 O  ? I HOH . ? A HOH 206 ? 1_555 MN ? E MN . ? A MN 102 ? 1_555 O  ? I HOH . ? A HOH 241 ? 1_555 103.2 ? 
23 O  ? I HOH . ? A HOH 208 ? 1_555 MN ? E MN . ? A MN 102 ? 1_555 O  ? I HOH . ? A HOH 241 ? 1_555 81.4  ? 
24 O  ? I HOH . ? A HOH 216 ? 1_555 MN ? E MN . ? A MN 102 ? 1_555 O  ? I HOH . ? A HOH 241 ? 1_555 170.0 ? 
25 O  ? I HOH . ? A HOH 240 ? 1_555 MN ? E MN . ? A MN 102 ? 1_555 O  ? I HOH . ? A HOH 241 ? 1_555 92.5  ? 
26 O  ? I HOH . ? A HOH 206 ? 1_555 MN ? E MN . ? A MN 102 ? 1_555 O  ? I HOH . ? A HOH 242 ? 1_555 171.8 ? 
27 O  ? I HOH . ? A HOH 208 ? 1_555 MN ? E MN . ? A MN 102 ? 1_555 O  ? I HOH . ? A HOH 242 ? 1_555 98.9  ? 
28 O  ? I HOH . ? A HOH 216 ? 1_555 MN ? E MN . ? A MN 102 ? 1_555 O  ? I HOH . ? A HOH 242 ? 1_555 92.6  ? 
29 O  ? I HOH . ? A HOH 240 ? 1_555 MN ? E MN . ? A MN 102 ? 1_555 O  ? I HOH . ? A HOH 242 ? 1_555 90.5  ? 
30 O  ? I HOH . ? A HOH 241 ? 1_555 MN ? E MN . ? A MN 102 ? 1_555 O  ? I HOH . ? A HOH 242 ? 1_555 79.4  ? 
31 O  ? I HOH . ? A HOH 219 ? 1_555 MN ? G MN . ? B MN 101 ? 1_555 N7 ? B DG  3 ? B DG  4   ? 1_555 83.0  ? 
32 O  ? I HOH . ? A HOH 219 ? 1_555 MN ? G MN . ? B MN 101 ? 1_555 O  ? J HOH . ? B HOH 202 ? 1_555 88.9  ? 
33 N7 ? B DG  3 ? B DG  4   ? 1_555 MN ? G MN . ? B MN 101 ? 1_555 O  ? J HOH . ? B HOH 202 ? 1_555 90.3  ? 
34 O  ? I HOH . ? A HOH 219 ? 1_555 MN ? G MN . ? B MN 101 ? 1_555 O  ? J HOH . ? B HOH 217 ? 1_555 167.5 ? 
35 N7 ? B DG  3 ? B DG  4   ? 1_555 MN ? G MN . ? B MN 101 ? 1_555 O  ? J HOH . ? B HOH 217 ? 1_555 89.6  ? 
36 O  ? J HOH . ? B HOH 202 ? 1_555 MN ? G MN . ? B MN 101 ? 1_555 O  ? J HOH . ? B HOH 217 ? 1_555 81.0  ? 
37 O  ? I HOH . ? A HOH 219 ? 1_555 MN ? G MN . ? B MN 101 ? 1_555 O  ? J HOH . ? B HOH 220 ? 1_555 106.5 ? 
38 N7 ? B DG  3 ? B DG  4   ? 1_555 MN ? G MN . ? B MN 101 ? 1_555 O  ? J HOH . ? B HOH 220 ? 1_555 87.5  ? 
39 O  ? J HOH . ? B HOH 202 ? 1_555 MN ? G MN . ? B MN 101 ? 1_555 O  ? J HOH . ? B HOH 220 ? 1_555 164.0 ? 
40 O  ? J HOH . ? B HOH 217 ? 1_555 MN ? G MN . ? B MN 101 ? 1_555 O  ? J HOH . ? B HOH 220 ? 1_555 83.2  ? 
41 O  ? I HOH . ? A HOH 219 ? 1_555 MN ? G MN . ? B MN 101 ? 1_555 O  ? J HOH . ? B HOH 228 ? 1_555 97.8  ? 
42 N7 ? B DG  3 ? B DG  4   ? 1_555 MN ? G MN . ? B MN 101 ? 1_555 O  ? J HOH . ? B HOH 228 ? 1_555 178.4 ? 
43 O  ? J HOH . ? B HOH 202 ? 1_555 MN ? G MN . ? B MN 101 ? 1_555 O  ? J HOH . ? B HOH 228 ? 1_555 91.1  ? 
44 O  ? J HOH . ? B HOH 217 ? 1_555 MN ? G MN . ? B MN 101 ? 1_555 O  ? J HOH . ? B HOH 228 ? 1_555 89.8  ? 
45 O  ? J HOH . ? B HOH 220 ? 1_555 MN ? G MN . ? B MN 101 ? 1_555 O  ? J HOH . ? B HOH 228 ? 1_555 90.9  ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1 SAR C 4  ? .   . .  . SAR G 4  ? 1_555 .   . .  . .     .   .  GLY 1 SAR Methylation 'Named protein modification' 
2 MVA C 5  ? .   . .  . MVA G 5  ? 1_555 .   . .  . .     .   .  VAL 1 MVA Methylation 'Named protein modification' 
3 SAR C 10 ? .   . .  . SAR G 10 ? 1_555 .   . .  . .     .   .  GLY 1 SAR Methylation 'Named protein modification' 
4 MVA C 11 ? .   . .  . MVA G 11 ? 1_555 .   . .  . .     .   .  VAL 1 MVA Methylation 'Named protein modification' 
5 PXZ C 6  ? .   . .  . PXZ G 6  ? 1_555 .   . .  . .     .   .  ?   1 PXZ None        'Non-standard residue'       
6 THR C 1  ? MVA C 5  ? THR G 1  ? 1_555 MVA G 5  ? 1_555 OG1 C  .   . .   None        'Non-standard linkage'       
7 THR C 1  ? PXZ C 6  ? THR G 1  ? 1_555 PXZ G 6  ? 1_555 N   C0 .   . .   None        'Non-standard linkage'       
8 THR C 7  ? MVA C 11 ? THR G 7  ? 1_555 MVA G 11 ? 1_555 OG1 C  .   . .   None        'Non-standard linkage'       
# 
loop_
_struct_mon_prot_cis.pdbx_id 
_struct_mon_prot_cis.label_comp_id 
_struct_mon_prot_cis.label_seq_id 
_struct_mon_prot_cis.label_asym_id 
_struct_mon_prot_cis.label_alt_id 
_struct_mon_prot_cis.pdbx_PDB_ins_code 
_struct_mon_prot_cis.auth_comp_id 
_struct_mon_prot_cis.auth_seq_id 
_struct_mon_prot_cis.auth_asym_id 
_struct_mon_prot_cis.pdbx_label_comp_id_2 
_struct_mon_prot_cis.pdbx_label_seq_id_2 
_struct_mon_prot_cis.pdbx_label_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2 
_struct_mon_prot_cis.pdbx_auth_comp_id_2 
_struct_mon_prot_cis.pdbx_auth_seq_id_2 
_struct_mon_prot_cis.pdbx_auth_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_model_num 
_struct_mon_prot_cis.pdbx_omega_angle 
1 DVA 2 C . ? DVA 2 G PRO 3  C ? PRO 3  G 1 13.35 
2 PRO 3 C . ? PRO 3 G SAR 4  C ? SAR 4  G 1 -4.44 
3 DVA 8 C . ? DVA 8 G PRO 9  C ? PRO 9  G 1 14.84 
4 PRO 9 C . ? PRO 9 G SAR 10 C ? SAR 10 G 1 -8.89 
# 
_pdbx_entry_details.entry_id                   9JL7 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           
;ACTINOMYCIN D IS A BICYCLIC PEPTIDE, A MEMBER OF THE
ACTINOMYCIN FAMILY.
HERE, ACTINOMYCIN D IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   Y 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   OG1 
_pdbx_validate_close_contact.auth_asym_id_1   G 
_pdbx_validate_close_contact.auth_comp_id_1   THR 
_pdbx_validate_close_contact.auth_seq_id_1    1 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   O 
_pdbx_validate_close_contact.auth_asym_id_2   G 
_pdbx_validate_close_contact.auth_comp_id_2   MVA 
_pdbx_validate_close_contact.auth_seq_id_2    5 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             2.18 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             "O4'" 
_pdbx_validate_rmsd_angle.auth_asym_id_1             A 
_pdbx_validate_rmsd_angle.auth_comp_id_1             DG 
_pdbx_validate_rmsd_angle.auth_seq_id_1              5 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             "C1'" 
_pdbx_validate_rmsd_angle.auth_asym_id_2             A 
_pdbx_validate_rmsd_angle.auth_comp_id_2             DG 
_pdbx_validate_rmsd_angle.auth_seq_id_2              5 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             N9 
_pdbx_validate_rmsd_angle.auth_asym_id_3             A 
_pdbx_validate_rmsd_angle.auth_comp_id_3             DG 
_pdbx_validate_rmsd_angle.auth_seq_id_3              5 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                110.64 
_pdbx_validate_rmsd_angle.angle_target_value         108.30 
_pdbx_validate_rmsd_angle.angle_deviation            2.34 
_pdbx_validate_rmsd_angle.angle_standard_deviation   0.30 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
_pdbx_molecule_features.prd_id    PRD_000001 
_pdbx_molecule_features.name      'Actinomycin D' 
_pdbx_molecule_features.type      Polypeptide 
_pdbx_molecule_features.class     Antibiotic 
_pdbx_molecule_features.details   
;ACTINOMYCIN D CONSISTS OF TWO PENTAMER
RINGS LINKED BY THE CHROMOPHORE (PXZ)
;
# 
_pdbx_molecule.instance_id   1 
_pdbx_molecule.prd_id        PRD_000001 
_pdbx_molecule.asym_id       C 
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 B CL  102 ? H CL  . 
2 1 B HOH 210 ? J HOH . 
3 1 B HOH 219 ? J HOH . 
4 1 G HOH 113 ? K HOH . 
# 
loop_
_pdbx_distant_solvent_atoms.id 
_pdbx_distant_solvent_atoms.PDB_model_num 
_pdbx_distant_solvent_atoms.auth_atom_id 
_pdbx_distant_solvent_atoms.label_alt_id 
_pdbx_distant_solvent_atoms.auth_asym_id 
_pdbx_distant_solvent_atoms.auth_comp_id 
_pdbx_distant_solvent_atoms.auth_seq_id 
_pdbx_distant_solvent_atoms.PDB_ins_code 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance 
1 1 O ? A HOH 244 ? 6.34 . 
2 1 O ? B HOH 233 ? 6.14 . 
# 
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 
CL  CL     CL N N 1   
DA  OP3    O  N N 2   
DA  P      P  N N 3   
DA  OP1    O  N N 4   
DA  OP2    O  N N 5   
DA  "O5'"  O  N N 6   
DA  "C5'"  C  N N 7   
DA  "C4'"  C  N R 8   
DA  "O4'"  O  N N 9   
DA  "C3'"  C  N S 10  
DA  "O3'"  O  N N 11  
DA  "C2'"  C  N N 12  
DA  "C1'"  C  N R 13  
DA  N9     N  Y N 14  
DA  C8     C  Y N 15  
DA  N7     N  Y N 16  
DA  C5     C  Y N 17  
DA  C6     C  Y N 18  
DA  N6     N  N N 19  
DA  N1     N  Y N 20  
DA  C2     C  Y N 21  
DA  N3     N  Y N 22  
DA  C4     C  Y N 23  
DA  HOP3   H  N N 24  
DA  HOP2   H  N N 25  
DA  "H5'"  H  N N 26  
DA  "H5''" H  N N 27  
DA  "H4'"  H  N N 28  
DA  "H3'"  H  N N 29  
DA  "HO3'" H  N N 30  
DA  "H2'"  H  N N 31  
DA  "H2''" H  N N 32  
DA  "H1'"  H  N N 33  
DA  H8     H  N N 34  
DA  H61    H  N N 35  
DA  H62    H  N N 36  
DA  H2     H  N N 37  
DC  OP3    O  N N 38  
DC  P      P  N N 39  
DC  OP1    O  N N 40  
DC  OP2    O  N N 41  
DC  "O5'"  O  N N 42  
DC  "C5'"  C  N N 43  
DC  "C4'"  C  N R 44  
DC  "O4'"  O  N N 45  
DC  "C3'"  C  N S 46  
DC  "O3'"  O  N N 47  
DC  "C2'"  C  N N 48  
DC  "C1'"  C  N R 49  
DC  N1     N  N N 50  
DC  C2     C  N N 51  
DC  O2     O  N N 52  
DC  N3     N  N N 53  
DC  C4     C  N N 54  
DC  N4     N  N N 55  
DC  C5     C  N N 56  
DC  C6     C  N N 57  
DC  HOP3   H  N N 58  
DC  HOP2   H  N N 59  
DC  "H5'"  H  N N 60  
DC  "H5''" H  N N 61  
DC  "H4'"  H  N N 62  
DC  "H3'"  H  N N 63  
DC  "HO3'" H  N N 64  
DC  "H2'"  H  N N 65  
DC  "H2''" H  N N 66  
DC  "H1'"  H  N N 67  
DC  H41    H  N N 68  
DC  H42    H  N N 69  
DC  H5     H  N N 70  
DC  H6     H  N N 71  
DG  OP3    O  N N 72  
DG  P      P  N N 73  
DG  OP1    O  N N 74  
DG  OP2    O  N N 75  
DG  "O5'"  O  N N 76  
DG  "C5'"  C  N N 77  
DG  "C4'"  C  N R 78  
DG  "O4'"  O  N N 79  
DG  "C3'"  C  N S 80  
DG  "O3'"  O  N N 81  
DG  "C2'"  C  N N 82  
DG  "C1'"  C  N R 83  
DG  N9     N  Y N 84  
DG  C8     C  Y N 85  
DG  N7     N  Y N 86  
DG  C5     C  Y N 87  
DG  C6     C  N N 88  
DG  O6     O  N N 89  
DG  N1     N  N N 90  
DG  C2     C  N N 91  
DG  N2     N  N N 92  
DG  N3     N  N N 93  
DG  C4     C  Y N 94  
DG  HOP3   H  N N 95  
DG  HOP2   H  N N 96  
DG  "H5'"  H  N N 97  
DG  "H5''" H  N N 98  
DG  "H4'"  H  N N 99  
DG  "H3'"  H  N N 100 
DG  "HO3'" H  N N 101 
DG  "H2'"  H  N N 102 
DG  "H2''" H  N N 103 
DG  "H1'"  H  N N 104 
DG  H8     H  N N 105 
DG  H1     H  N N 106 
DG  H21    H  N N 107 
DG  H22    H  N N 108 
DM2 C1     C  Y N 109 
DM2 C2     C  Y N 110 
DM2 C3     C  Y N 111 
DM2 C4     C  Y N 112 
DM2 O4     O  N N 113 
DM2 C5     C  Y N 114 
DM2 C6     C  N N 115 
DM2 O6     O  N N 116 
DM2 C7     C  Y N 117 
DM2 C8     C  Y N 118 
DM2 O8     O  N N 119 
DM2 C9     C  Y N 120 
DM2 C10    C  N S 121 
DM2 O10    O  N N 122 
DM2 C11    C  N N 123 
DM2 C12    C  N S 124 
DM2 O12    O  N N 125 
DM2 C13    C  N N 126 
DM2 O13    O  N N 127 
DM2 C14    C  N N 128 
DM2 O14    O  N N 129 
DM2 C15    C  N N 130 
DM2 C16    C  Y N 131 
DM2 C17    C  Y N 132 
DM2 O17    O  N N 133 
DM2 C18    C  Y N 134 
DM2 C19    C  N N 135 
DM2 O19    O  N N 136 
DM2 C20    C  Y N 137 
DM2 C21    C  N N 138 
DM2 "C1'"  C  N R 139 
DM2 "C2'"  C  N N 140 
DM2 "C3'"  C  N S 141 
DM2 "N3'"  N  N N 142 
DM2 "C4'"  C  N S 143 
DM2 "O4'"  O  N N 144 
DM2 "C5'"  C  N S 145 
DM2 "O5'"  O  N N 146 
DM2 "C6'"  C  N N 147 
DM2 H1     H  N N 148 
DM2 H2     H  N N 149 
DM2 H3     H  N N 150 
DM2 HO8    H  N N 151 
DM2 H10    H  N N 152 
DM2 H111   H  N N 153 
DM2 H112   H  N N 154 
DM2 HO12   H  N N 155 
DM2 H141   H  N N 156 
DM2 H142   H  N N 157 
DM2 HO14   H  N N 158 
DM2 H151   H  N N 159 
DM2 H152   H  N N 160 
DM2 HO17   H  N N 161 
DM2 H211   H  N N 162 
DM2 H212   H  N N 163 
DM2 H213   H  N N 164 
DM2 "H1'"  H  N N 165 
DM2 "H2'1" H  N N 166 
DM2 "H2'2" H  N N 167 
DM2 "H3'"  H  N N 168 
DM2 "HN'1" H  N N 169 
DM2 "HN'2" H  N N 170 
DM2 "H4'"  H  N N 171 
DM2 "HO4'" H  N N 172 
DM2 "H5'"  H  N N 173 
DM2 "H6'1" H  N N 174 
DM2 "H6'2" H  N N 175 
DM2 "H6'3" H  N N 176 
DT  OP3    O  N N 177 
DT  P      P  N N 178 
DT  OP1    O  N N 179 
DT  OP2    O  N N 180 
DT  "O5'"  O  N N 181 
DT  "C5'"  C  N N 182 
DT  "C4'"  C  N R 183 
DT  "O4'"  O  N N 184 
DT  "C3'"  C  N S 185 
DT  "O3'"  O  N N 186 
DT  "C2'"  C  N N 187 
DT  "C1'"  C  N R 188 
DT  N1     N  N N 189 
DT  C2     C  N N 190 
DT  O2     O  N N 191 
DT  N3     N  N N 192 
DT  C4     C  N N 193 
DT  O4     O  N N 194 
DT  C5     C  N N 195 
DT  C7     C  N N 196 
DT  C6     C  N N 197 
DT  HOP3   H  N N 198 
DT  HOP2   H  N N 199 
DT  "H5'"  H  N N 200 
DT  "H5''" H  N N 201 
DT  "H4'"  H  N N 202 
DT  "H3'"  H  N N 203 
DT  "HO3'" H  N N 204 
DT  "H2'"  H  N N 205 
DT  "H2''" H  N N 206 
DT  "H1'"  H  N N 207 
DT  H3     H  N N 208 
DT  H71    H  N N 209 
DT  H72    H  N N 210 
DT  H73    H  N N 211 
DT  H6     H  N N 212 
DVA N      N  N N 213 
DVA CA     C  N R 214 
DVA CB     C  N N 215 
DVA CG1    C  N N 216 
DVA CG2    C  N N 217 
DVA C      C  N N 218 
DVA O      O  N N 219 
DVA OXT    O  N N 220 
DVA H      H  N N 221 
DVA H2     H  N N 222 
DVA HA     H  N N 223 
DVA HB     H  N N 224 
DVA HG11   H  N N 225 
DVA HG12   H  N N 226 
DVA HG13   H  N N 227 
DVA HG21   H  N N 228 
DVA HG22   H  N N 229 
DVA HG23   H  N N 230 
DVA HXT    H  N N 231 
HOH O      O  N N 232 
HOH H1     H  N N 233 
HOH H2     H  N N 234 
MN  MN     MN N N 235 
MVA N      N  N N 236 
MVA CN     C  N N 237 
MVA CA     C  N S 238 
MVA CB     C  N N 239 
MVA CG1    C  N N 240 
MVA CG2    C  N N 241 
MVA C      C  N N 242 
MVA O      O  N N 243 
MVA OXT    O  N N 244 
MVA H      H  N N 245 
MVA HN1    H  N N 246 
MVA HN2    H  N N 247 
MVA HN3    H  N N 248 
MVA HA     H  N N 249 
MVA HB     H  N N 250 
MVA HG11   H  N N 251 
MVA HG12   H  N N 252 
MVA HG13   H  N N 253 
MVA HG21   H  N N 254 
MVA HG22   H  N N 255 
MVA HG23   H  N N 256 
MVA HXT    H  N N 257 
PRO N      N  N N 258 
PRO CA     C  N S 259 
PRO C      C  N N 260 
PRO O      O  N N 261 
PRO CB     C  N N 262 
PRO CG     C  N N 263 
PRO CD     C  N N 264 
PRO OXT    O  N N 265 
PRO H      H  N N 266 
PRO HA     H  N N 267 
PRO HB2    H  N N 268 
PRO HB3    H  N N 269 
PRO HG2    H  N N 270 
PRO HG3    H  N N 271 
PRO HD2    H  N N 272 
PRO HD3    H  N N 273 
PRO HXT    H  N N 274 
PXZ C1     C  N N 275 
PXZ C0     C  N N 276 
PXZ O1     O  N N 277 
PXZ C2     C  N N 278 
PXZ N2     N  N N 279 
PXZ C3     C  N N 280 
PXZ O3     O  N N 281 
PXZ C4     C  N N 282 
PXZ O5     O  N N 283 
PXZ C6     C  Y N 284 
PXZ C7     C  Y N 285 
PXZ C8     C  Y N 286 
PXZ C9     C  Y N 287 
PXZ "C0'"  C  N N 288 
PXZ "O1'"  O  N N 289 
PXZ N10    N  N N 290 
PXZ C11    C  N N 291 
PXZ C12    C  N N 292 
PXZ C13    C  Y N 293 
PXZ C14    C  Y N 294 
PXZ C15    C  N N 295 
PXZ C16    C  N N 296 
PXZ HN21   H  N N 297 
PXZ HN22   H  N N 298 
PXZ H7     H  N N 299 
PXZ H8     H  N N 300 
PXZ H151   H  N N 301 
PXZ H152   H  N N 302 
PXZ H153   H  N N 303 
PXZ H161   H  N N 304 
PXZ H162   H  N N 305 
PXZ H163   H  N N 306 
PXZ "OXT'" O  N N 307 
PXZ OXT    O  N N 308 
PXZ "HXT'" H  N N 309 
PXZ HXT    H  N N 310 
SAR N      N  N N 311 
SAR CA     C  N N 312 
SAR C      C  N N 313 
SAR O      O  N N 314 
SAR CN     C  N N 315 
SAR OXT    O  N N 316 
SAR H      H  N N 317 
SAR HA2    H  N N 318 
SAR HA3    H  N N 319 
SAR HN1    H  N N 320 
SAR HN2    H  N N 321 
SAR HN3    H  N N 322 
SAR HXT    H  N N 323 
THR N      N  N N 324 
THR CA     C  N S 325 
THR C      C  N N 326 
THR O      O  N N 327 
THR CB     C  N R 328 
THR OG1    O  N N 329 
THR CG2    C  N N 330 
THR OXT    O  N N 331 
THR H      H  N N 332 
THR H2     H  N N 333 
THR HA     H  N N 334 
THR HB     H  N N 335 
THR HG1    H  N N 336 
THR HG21   H  N N 337 
THR HG22   H  N N 338 
THR HG23   H  N N 339 
THR HXT    H  N N 340 
# 
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 
DA  OP3    P      sing N N 1   
DA  OP3    HOP3   sing N N 2   
DA  P      OP1    doub N N 3   
DA  P      OP2    sing N N 4   
DA  P      "O5'"  sing N N 5   
DA  OP2    HOP2   sing N N 6   
DA  "O5'"  "C5'"  sing N N 7   
DA  "C5'"  "C4'"  sing N N 8   
DA  "C5'"  "H5'"  sing N N 9   
DA  "C5'"  "H5''" sing N N 10  
DA  "C4'"  "O4'"  sing N N 11  
DA  "C4'"  "C3'"  sing N N 12  
DA  "C4'"  "H4'"  sing N N 13  
DA  "O4'"  "C1'"  sing N N 14  
DA  "C3'"  "O3'"  sing N N 15  
DA  "C3'"  "C2'"  sing N N 16  
DA  "C3'"  "H3'"  sing N N 17  
DA  "O3'"  "HO3'" sing N N 18  
DA  "C2'"  "C1'"  sing N N 19  
DA  "C2'"  "H2'"  sing N N 20  
DA  "C2'"  "H2''" sing N N 21  
DA  "C1'"  N9     sing N N 22  
DA  "C1'"  "H1'"  sing N N 23  
DA  N9     C8     sing Y N 24  
DA  N9     C4     sing Y N 25  
DA  C8     N7     doub Y N 26  
DA  C8     H8     sing N N 27  
DA  N7     C5     sing Y N 28  
DA  C5     C6     sing Y N 29  
DA  C5     C4     doub Y N 30  
DA  C6     N6     sing N N 31  
DA  C6     N1     doub Y N 32  
DA  N6     H61    sing N N 33  
DA  N6     H62    sing N N 34  
DA  N1     C2     sing Y N 35  
DA  C2     N3     doub Y N 36  
DA  C2     H2     sing N N 37  
DA  N3     C4     sing Y N 38  
DC  OP3    P      sing N N 39  
DC  OP3    HOP3   sing N N 40  
DC  P      OP1    doub N N 41  
DC  P      OP2    sing N N 42  
DC  P      "O5'"  sing N N 43  
DC  OP2    HOP2   sing N N 44  
DC  "O5'"  "C5'"  sing N N 45  
DC  "C5'"  "C4'"  sing N N 46  
DC  "C5'"  "H5'"  sing N N 47  
DC  "C5'"  "H5''" sing N N 48  
DC  "C4'"  "O4'"  sing N N 49  
DC  "C4'"  "C3'"  sing N N 50  
DC  "C4'"  "H4'"  sing N N 51  
DC  "O4'"  "C1'"  sing N N 52  
DC  "C3'"  "O3'"  sing N N 53  
DC  "C3'"  "C2'"  sing N N 54  
DC  "C3'"  "H3'"  sing N N 55  
DC  "O3'"  "HO3'" sing N N 56  
DC  "C2'"  "C1'"  sing N N 57  
DC  "C2'"  "H2'"  sing N N 58  
DC  "C2'"  "H2''" sing N N 59  
DC  "C1'"  N1     sing N N 60  
DC  "C1'"  "H1'"  sing N N 61  
DC  N1     C2     sing N N 62  
DC  N1     C6     sing N N 63  
DC  C2     O2     doub N N 64  
DC  C2     N3     sing N N 65  
DC  N3     C4     doub N N 66  
DC  C4     N4     sing N N 67  
DC  C4     C5     sing N N 68  
DC  N4     H41    sing N N 69  
DC  N4     H42    sing N N 70  
DC  C5     C6     doub N N 71  
DC  C5     H5     sing N N 72  
DC  C6     H6     sing N N 73  
DG  OP3    P      sing N N 74  
DG  OP3    HOP3   sing N N 75  
DG  P      OP1    doub N N 76  
DG  P      OP2    sing N N 77  
DG  P      "O5'"  sing N N 78  
DG  OP2    HOP2   sing N N 79  
DG  "O5'"  "C5'"  sing N N 80  
DG  "C5'"  "C4'"  sing N N 81  
DG  "C5'"  "H5'"  sing N N 82  
DG  "C5'"  "H5''" sing N N 83  
DG  "C4'"  "O4'"  sing N N 84  
DG  "C4'"  "C3'"  sing N N 85  
DG  "C4'"  "H4'"  sing N N 86  
DG  "O4'"  "C1'"  sing N N 87  
DG  "C3'"  "O3'"  sing N N 88  
DG  "C3'"  "C2'"  sing N N 89  
DG  "C3'"  "H3'"  sing N N 90  
DG  "O3'"  "HO3'" sing N N 91  
DG  "C2'"  "C1'"  sing N N 92  
DG  "C2'"  "H2'"  sing N N 93  
DG  "C2'"  "H2''" sing N N 94  
DG  "C1'"  N9     sing N N 95  
DG  "C1'"  "H1'"  sing N N 96  
DG  N9     C8     sing Y N 97  
DG  N9     C4     sing Y N 98  
DG  C8     N7     doub Y N 99  
DG  C8     H8     sing N N 100 
DG  N7     C5     sing Y N 101 
DG  C5     C6     sing N N 102 
DG  C5     C4     doub Y N 103 
DG  C6     O6     doub N N 104 
DG  C6     N1     sing N N 105 
DG  N1     C2     sing N N 106 
DG  N1     H1     sing N N 107 
DG  C2     N2     sing N N 108 
DG  C2     N3     doub N N 109 
DG  N2     H21    sing N N 110 
DG  N2     H22    sing N N 111 
DG  N3     C4     sing N N 112 
DM2 C1     C2     doub Y N 113 
DM2 C1     C20    sing Y N 114 
DM2 C1     H1     sing N N 115 
DM2 C2     C3     sing Y N 116 
DM2 C2     H2     sing N N 117 
DM2 C3     C4     doub Y N 118 
DM2 C3     H3     sing N N 119 
DM2 C4     O4     sing N N 120 
DM2 C4     C5     sing Y N 121 
DM2 O4     C21    sing N N 122 
DM2 C5     C6     sing N N 123 
DM2 C5     C20    doub Y N 124 
DM2 C6     O6     doub N N 125 
DM2 C6     C7     sing N N 126 
DM2 C7     C8     doub Y N 127 
DM2 C7     C18    sing Y N 128 
DM2 C8     O8     sing N N 129 
DM2 C8     C9     sing Y N 130 
DM2 O8     HO8    sing N N 131 
DM2 C9     C10    sing N N 132 
DM2 C9     C16    doub Y N 133 
DM2 C10    O10    sing N N 134 
DM2 C10    C11    sing N N 135 
DM2 C10    H10    sing N N 136 
DM2 O10    "C1'"  sing N N 137 
DM2 C11    C12    sing N N 138 
DM2 C11    H111   sing N N 139 
DM2 C11    H112   sing N N 140 
DM2 C12    O12    sing N N 141 
DM2 C12    C13    sing N N 142 
DM2 C12    C15    sing N N 143 
DM2 O12    HO12   sing N N 144 
DM2 C13    O13    doub N N 145 
DM2 C13    C14    sing N N 146 
DM2 C14    O14    sing N N 147 
DM2 C14    H141   sing N N 148 
DM2 C14    H142   sing N N 149 
DM2 O14    HO14   sing N N 150 
DM2 C15    C16    sing N N 151 
DM2 C15    H151   sing N N 152 
DM2 C15    H152   sing N N 153 
DM2 C16    C17    sing Y N 154 
DM2 C17    O17    sing N N 155 
DM2 C17    C18    doub Y N 156 
DM2 O17    HO17   sing N N 157 
DM2 C18    C19    sing N N 158 
DM2 C19    O19    doub N N 159 
DM2 C19    C20    sing N N 160 
DM2 C21    H211   sing N N 161 
DM2 C21    H212   sing N N 162 
DM2 C21    H213   sing N N 163 
DM2 "C1'"  "C2'"  sing N N 164 
DM2 "C1'"  "O5'"  sing N N 165 
DM2 "C1'"  "H1'"  sing N N 166 
DM2 "C2'"  "C3'"  sing N N 167 
DM2 "C2'"  "H2'1" sing N N 168 
DM2 "C2'"  "H2'2" sing N N 169 
DM2 "C3'"  "N3'"  sing N N 170 
DM2 "C3'"  "C4'"  sing N N 171 
DM2 "C3'"  "H3'"  sing N N 172 
DM2 "N3'"  "HN'1" sing N N 173 
DM2 "N3'"  "HN'2" sing N N 174 
DM2 "C4'"  "O4'"  sing N N 175 
DM2 "C4'"  "C5'"  sing N N 176 
DM2 "C4'"  "H4'"  sing N N 177 
DM2 "O4'"  "HO4'" sing N N 178 
DM2 "C5'"  "O5'"  sing N N 179 
DM2 "C5'"  "C6'"  sing N N 180 
DM2 "C5'"  "H5'"  sing N N 181 
DM2 "C6'"  "H6'1" sing N N 182 
DM2 "C6'"  "H6'2" sing N N 183 
DM2 "C6'"  "H6'3" sing N N 184 
DT  OP3    P      sing N N 185 
DT  OP3    HOP3   sing N N 186 
DT  P      OP1    doub N N 187 
DT  P      OP2    sing N N 188 
DT  P      "O5'"  sing N N 189 
DT  OP2    HOP2   sing N N 190 
DT  "O5'"  "C5'"  sing N N 191 
DT  "C5'"  "C4'"  sing N N 192 
DT  "C5'"  "H5'"  sing N N 193 
DT  "C5'"  "H5''" sing N N 194 
DT  "C4'"  "O4'"  sing N N 195 
DT  "C4'"  "C3'"  sing N N 196 
DT  "C4'"  "H4'"  sing N N 197 
DT  "O4'"  "C1'"  sing N N 198 
DT  "C3'"  "O3'"  sing N N 199 
DT  "C3'"  "C2'"  sing N N 200 
DT  "C3'"  "H3'"  sing N N 201 
DT  "O3'"  "HO3'" sing N N 202 
DT  "C2'"  "C1'"  sing N N 203 
DT  "C2'"  "H2'"  sing N N 204 
DT  "C2'"  "H2''" sing N N 205 
DT  "C1'"  N1     sing N N 206 
DT  "C1'"  "H1'"  sing N N 207 
DT  N1     C2     sing N N 208 
DT  N1     C6     sing N N 209 
DT  C2     O2     doub N N 210 
DT  C2     N3     sing N N 211 
DT  N3     C4     sing N N 212 
DT  N3     H3     sing N N 213 
DT  C4     O4     doub N N 214 
DT  C4     C5     sing N N 215 
DT  C5     C7     sing N N 216 
DT  C5     C6     doub N N 217 
DT  C7     H71    sing N N 218 
DT  C7     H72    sing N N 219 
DT  C7     H73    sing N N 220 
DT  C6     H6     sing N N 221 
DVA N      CA     sing N N 222 
DVA N      H      sing N N 223 
DVA N      H2     sing N N 224 
DVA CA     CB     sing N N 225 
DVA CA     C      sing N N 226 
DVA CA     HA     sing N N 227 
DVA CB     CG1    sing N N 228 
DVA CB     CG2    sing N N 229 
DVA CB     HB     sing N N 230 
DVA CG1    HG11   sing N N 231 
DVA CG1    HG12   sing N N 232 
DVA CG1    HG13   sing N N 233 
DVA CG2    HG21   sing N N 234 
DVA CG2    HG22   sing N N 235 
DVA CG2    HG23   sing N N 236 
DVA C      O      doub N N 237 
DVA C      OXT    sing N N 238 
DVA OXT    HXT    sing N N 239 
HOH O      H1     sing N N 240 
HOH O      H2     sing N N 241 
MVA N      CN     sing N N 242 
MVA N      CA     sing N N 243 
MVA N      H      sing N N 244 
MVA CN     HN1    sing N N 245 
MVA CN     HN2    sing N N 246 
MVA CN     HN3    sing N N 247 
MVA CA     CB     sing N N 248 
MVA CA     C      sing N N 249 
MVA CA     HA     sing N N 250 
MVA CB     CG1    sing N N 251 
MVA CB     CG2    sing N N 252 
MVA CB     HB     sing N N 253 
MVA CG1    HG11   sing N N 254 
MVA CG1    HG12   sing N N 255 
MVA CG1    HG13   sing N N 256 
MVA CG2    HG21   sing N N 257 
MVA CG2    HG22   sing N N 258 
MVA CG2    HG23   sing N N 259 
MVA C      O      doub N N 260 
MVA C      OXT    sing N N 261 
MVA OXT    HXT    sing N N 262 
PRO N      CA     sing N N 263 
PRO N      CD     sing N N 264 
PRO N      H      sing N N 265 
PRO CA     C      sing N N 266 
PRO CA     CB     sing N N 267 
PRO CA     HA     sing N N 268 
PRO C      O      doub N N 269 
PRO C      OXT    sing N N 270 
PRO CB     CG     sing N N 271 
PRO CB     HB2    sing N N 272 
PRO CB     HB3    sing N N 273 
PRO CG     CD     sing N N 274 
PRO CG     HG2    sing N N 275 
PRO CG     HG3    sing N N 276 
PRO CD     HD2    sing N N 277 
PRO CD     HD3    sing N N 278 
PRO OXT    HXT    sing N N 279 
PXZ C1     C0     sing N N 280 
PXZ C1     C2     doub N N 281 
PXZ C1     C11    sing N N 282 
PXZ C0     O1     doub N N 283 
PXZ C2     N2     sing N N 284 
PXZ C2     C3     sing N N 285 
PXZ N2     HN21   sing N N 286 
PXZ N2     HN22   sing N N 287 
PXZ C3     O3     doub N N 288 
PXZ C3     C4     sing N N 289 
PXZ C4     C12    doub N N 290 
PXZ C4     C15    sing N N 291 
PXZ O5     C12    sing N N 292 
PXZ O5     C13    sing N N 293 
PXZ C6     C7     doub Y N 294 
PXZ C6     C13    sing Y N 295 
PXZ C6     C16    sing N N 296 
PXZ C7     C8     sing Y N 297 
PXZ C7     H7     sing N N 298 
PXZ C8     C9     doub Y N 299 
PXZ C8     H8     sing N N 300 
PXZ C9     "C0'"  sing N N 301 
PXZ C9     C14    sing Y N 302 
PXZ "C0'"  "O1'"  doub N N 303 
PXZ N10    C11    doub N N 304 
PXZ N10    C14    sing N N 305 
PXZ C11    C12    sing N N 306 
PXZ C13    C14    doub Y N 307 
PXZ C15    H151   sing N N 308 
PXZ C15    H152   sing N N 309 
PXZ C15    H153   sing N N 310 
PXZ C16    H161   sing N N 311 
PXZ C16    H162   sing N N 312 
PXZ C16    H163   sing N N 313 
PXZ "C0'"  "OXT'" sing N N 314 
PXZ C0     OXT    sing N N 315 
PXZ "OXT'" "HXT'" sing N N 316 
PXZ OXT    HXT    sing N N 317 
SAR N      CA     sing N N 318 
SAR N      CN     sing N N 319 
SAR N      H      sing N N 320 
SAR CA     C      sing N N 321 
SAR CA     HA2    sing N N 322 
SAR CA     HA3    sing N N 323 
SAR C      O      doub N N 324 
SAR C      OXT    sing N N 325 
SAR CN     HN1    sing N N 326 
SAR CN     HN2    sing N N 327 
SAR CN     HN3    sing N N 328 
SAR OXT    HXT    sing N N 329 
THR N      CA     sing N N 330 
THR N      H      sing N N 331 
THR N      H2     sing N N 332 
THR CA     C      sing N N 333 
THR CA     CB     sing N N 334 
THR CA     HA     sing N N 335 
THR C      O      doub N N 336 
THR C      OXT    sing N N 337 
THR CB     OG1    sing N N 338 
THR CB     CG2    sing N N 339 
THR CB     HB     sing N N 340 
THR OG1    HG1    sing N N 341 
THR CG2    HG21   sing N N 342 
THR CG2    HG22   sing N N 343 
THR CG2    HG23   sing N N 344 
THR OXT    HXT    sing N N 345 
# 
_ndb_struct_conf_na.entry_id   9JL7 
_ndb_struct_conf_na.feature    'b-form double helix' 
# 
loop_
_ndb_struct_na_base_pair.model_number 
_ndb_struct_na_base_pair.i_label_asym_id 
_ndb_struct_na_base_pair.i_label_comp_id 
_ndb_struct_na_base_pair.i_label_seq_id 
_ndb_struct_na_base_pair.i_symmetry 
_ndb_struct_na_base_pair.j_label_asym_id 
_ndb_struct_na_base_pair.j_label_comp_id 
_ndb_struct_na_base_pair.j_label_seq_id 
_ndb_struct_na_base_pair.j_symmetry 
_ndb_struct_na_base_pair.shear 
_ndb_struct_na_base_pair.stretch 
_ndb_struct_na_base_pair.stagger 
_ndb_struct_na_base_pair.buckle 
_ndb_struct_na_base_pair.propeller 
_ndb_struct_na_base_pair.opening 
_ndb_struct_na_base_pair.pair_number 
_ndb_struct_na_base_pair.pair_name 
_ndb_struct_na_base_pair.i_auth_asym_id 
_ndb_struct_na_base_pair.i_auth_seq_id 
_ndb_struct_na_base_pair.i_PDB_ins_code 
_ndb_struct_na_base_pair.j_auth_asym_id 
_ndb_struct_na_base_pair.j_auth_seq_id 
_ndb_struct_na_base_pair.j_PDB_ins_code 
_ndb_struct_na_base_pair.hbond_type_28 
_ndb_struct_na_base_pair.hbond_type_12 
1 A DA 1 1_555 B DT 6 1_555 0.110  -0.124 -0.030 -2.861  -7.507 4.148  1 A_DA1:DT7_B A 1 ? B 7 ? 20 1 
1 A DG 2 1_555 B DC 5 1_555 -0.376 -0.106 0.644  13.704  8.279  2.461  2 A_DG2:DC6_B A 2 ? B 6 ? 19 1 
1 A DC 3 1_555 B DG 4 1_555 0.355  -0.180 0.314  -2.058  6.289  -0.261 3 A_DC3:DG5_B A 3 ? B 5 ? 19 1 
1 A DC 4 1_555 B DG 3 1_555 0.117  -0.099 -0.101 13.576  -2.751 1.775  4 A_DC4:DG4_B A 4 ? B 4 ? 19 1 
1 A DG 5 1_555 B DC 2 1_555 -0.187 -0.063 -0.271 -12.281 5.257  2.108  5 A_DG5:DC3_B A 5 ? B 3 ? 19 1 
1 A DT 6 1_555 B DA 1 1_555 -0.171 -0.122 0.144  3.729   -4.166 1.549  6 A_DT6:DA2_B A 6 ? B 2 ? 20 1 
# 
loop_
_ndb_struct_na_base_pair_step.model_number 
_ndb_struct_na_base_pair_step.i_label_asym_id_1 
_ndb_struct_na_base_pair_step.i_label_comp_id_1 
_ndb_struct_na_base_pair_step.i_label_seq_id_1 
_ndb_struct_na_base_pair_step.i_symmetry_1 
_ndb_struct_na_base_pair_step.j_label_asym_id_1 
_ndb_struct_na_base_pair_step.j_label_comp_id_1 
_ndb_struct_na_base_pair_step.j_label_seq_id_1 
_ndb_struct_na_base_pair_step.j_symmetry_1 
_ndb_struct_na_base_pair_step.i_label_asym_id_2 
_ndb_struct_na_base_pair_step.i_label_comp_id_2 
_ndb_struct_na_base_pair_step.i_label_seq_id_2 
_ndb_struct_na_base_pair_step.i_symmetry_2 
_ndb_struct_na_base_pair_step.j_label_asym_id_2 
_ndb_struct_na_base_pair_step.j_label_comp_id_2 
_ndb_struct_na_base_pair_step.j_label_seq_id_2 
_ndb_struct_na_base_pair_step.j_symmetry_2 
_ndb_struct_na_base_pair_step.shift 
_ndb_struct_na_base_pair_step.slide 
_ndb_struct_na_base_pair_step.rise 
_ndb_struct_na_base_pair_step.tilt 
_ndb_struct_na_base_pair_step.roll 
_ndb_struct_na_base_pair_step.twist 
_ndb_struct_na_base_pair_step.x_displacement 
_ndb_struct_na_base_pair_step.y_displacement 
_ndb_struct_na_base_pair_step.helical_rise 
_ndb_struct_na_base_pair_step.inclination 
_ndb_struct_na_base_pair_step.tip 
_ndb_struct_na_base_pair_step.helical_twist 
_ndb_struct_na_base_pair_step.step_number 
_ndb_struct_na_base_pair_step.step_name 
_ndb_struct_na_base_pair_step.i_auth_asym_id_1 
_ndb_struct_na_base_pair_step.i_auth_seq_id_1 
_ndb_struct_na_base_pair_step.i_PDB_ins_code_1 
_ndb_struct_na_base_pair_step.j_auth_asym_id_1 
_ndb_struct_na_base_pair_step.j_auth_seq_id_1 
_ndb_struct_na_base_pair_step.j_PDB_ins_code_1 
_ndb_struct_na_base_pair_step.i_auth_asym_id_2 
_ndb_struct_na_base_pair_step.i_auth_seq_id_2 
_ndb_struct_na_base_pair_step.i_PDB_ins_code_2 
_ndb_struct_na_base_pair_step.j_auth_asym_id_2 
_ndb_struct_na_base_pair_step.j_auth_seq_id_2 
_ndb_struct_na_base_pair_step.j_PDB_ins_code_2 
1 A DA 1 1_555 B DT 6 1_555 A DG 2 1_555 B DC 5 1_555 0.594  0.592  2.904 -5.391 9.345  20.457 -1.477 -3.189 2.675 24.256  13.992 
23.100 1 AA_DA1DG2:DC6DT7_BB A 1 ? B 7 ? A 2 ? B 6 ? 
1 A DC 3 1_555 B DG 4 1_555 A DC 4 1_555 B DG 3 1_555 0.823  0.408  2.921 4.762  4.073  29.890 0.030  -0.691 3.041 7.789   -9.106 
30.525 2 AA_DC3DC4:DG4DG5_BB A 3 ? B 5 ? A 4 ? B 4 ? 
1 A DC 4 1_555 B DG 3 1_555 A DG 5 1_555 B DC 2 1_555 1.338  0.936  6.972 0.496  -3.982 31.425 3.269  -2.257 6.824 -7.315  -0.910 
31.674 3 AA_DC4DG5:DC3DG4_BB A 4 ? B 4 ? A 5 ? B 3 ? 
1 A DG 5 1_555 B DC 2 1_555 A DT 6 1_555 B DA 1 1_555 -0.968 -0.141 3.079 -4.709 -6.038 28.086 1.004  0.925  3.157 -12.158 9.482  
29.091 4 AA_DG5DT6:DA2DC3_BB A 5 ? B 3 ? A 6 ? B 2 ? 
# 
_pdbx_audit_support.funding_organization   'Ministry of Science and Technology (MoST, Taiwan)' 
_pdbx_audit_support.country                Taiwan 
_pdbx_audit_support.grant_number           109-2628-M-005-001-MY4 
_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   1D12 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9JL7 
_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]   0.037034 
_atom_sites.fract_transf_matrix[1][2]   0.021382 
_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]   0.042764 
_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]   0.004855 
_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 
MN 
N  
O  
P  
# 
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   P  P     . DA  A 1 1  ? 14.352 -4.308  7.465   0.00 25.51 ?  1   DA  A P     1 
ATOM   2   O  OP1   . DA  A 1 1  ? 14.539 -5.489  8.338   1.00 43.32 ?  1   DA  A OP1   1 
ATOM   3   O  OP2   . DA  A 1 1  ? 15.520 -3.774  6.732   0.67 29.26 -1 1   DA  A OP2   1 
ATOM   4   O  "O5'" . DA  A 1 1  ? 13.170 -4.593  6.417   1.00 20.82 ?  1   DA  A "O5'" 1 
ATOM   5   C  "C5'" . DA  A 1 1  ? 13.028 -5.886  5.859   1.00 18.76 ?  1   DA  A "C5'" 1 
ATOM   6   C  "C4'" . DA  A 1 1  ? 11.642 -6.111  5.271   1.00 16.82 ?  1   DA  A "C4'" 1 
ATOM   7   O  "O4'" . DA  A 1 1  ? 11.480 -5.346  4.043   1.00 13.34 ?  1   DA  A "O4'" 1 
ATOM   8   C  "C3'" . DA  A 1 1  ? 11.407 -7.527  4.839   1.00 14.25 ?  1   DA  A "C3'" 1 
ATOM   9   O  "O3'" . DA  A 1 1  ? 10.023 -7.756  4.717   1.00 15.45 ?  1   DA  A "O3'" 1 
ATOM   10  C  "C2'" . DA  A 1 1  ? 12.105 -7.542  3.461   1.00 13.00 ?  1   DA  A "C2'" 1 
ATOM   11  C  "C1'" . DA  A 1 1  ? 11.718 -6.172  2.911   1.00 13.11 ?  1   DA  A "C1'" 1 
ATOM   12  N  N9    . DA  A 1 1  ? 12.750 -5.479  2.140   1.00 10.33 ?  1   DA  A N9    1 
ATOM   13  C  C8    . DA  A 1 1  ? 14.110 -5.637  2.218   1.00 13.26 ?  1   DA  A C8    1 
ATOM   14  N  N7    . DA  A 1 1  ? 14.782 -4.782  1.458   1.00 12.39 ?  1   DA  A N7    1 
ATOM   15  C  C5    . DA  A 1 1  ? 13.784 -4.016  0.854   1.00 8.88  ?  1   DA  A C5    1 
ATOM   16  C  C6    . DA  A 1 1  ? 13.822 -2.904  -0.022  1.00 10.36 ?  1   DA  A C6    1 
ATOM   17  N  N6    . DA  A 1 1  ? 14.959 -2.397  -0.543  1.00 12.12 ?  1   DA  A N6    1 
ATOM   18  N  N1    . DA  A 1 1  ? 12.647 -2.363  -0.394  1.00 10.72 ?  1   DA  A N1    1 
ATOM   19  C  C2    . DA  A 1 1  ? 11.516 -2.872  0.101   1.00 9.72  ?  1   DA  A C2    1 
ATOM   20  N  N3    . DA  A 1 1  ? 11.358 -3.898  0.934   1.00 10.28 ?  1   DA  A N3    1 
ATOM   21  C  C4    . DA  A 1 1  ? 12.538 -4.414  1.291   1.00 9.29  ?  1   DA  A C4    1 
ATOM   22  P  P     . DG  A 1 2  ? 9.474  -9.254  4.573   1.00 16.54 ?  2   DG  A P     1 
ATOM   23  O  OP1   . DG  A 1 2  ? 8.052  -9.239  4.984   1.00 18.24 ?  2   DG  A OP1   1 
ATOM   24  O  OP2   . DG  A 1 2  ? 10.443 -10.139 5.220   1.00 15.62 -1 2   DG  A OP2   1 
ATOM   25  O  "O5'" . DG  A 1 2  ? 9.584  -9.561  3.008   1.00 14.51 ?  2   DG  A "O5'" 1 
ATOM   26  C  "C5'" . DG  A 1 2  ? 8.629  -9.008  2.149   1.00 13.83 ?  2   DG  A "C5'" 1 
ATOM   27  C  "C4'" . DG  A 1 2  ? 9.061  -9.227  0.740   1.00 14.68 ?  2   DG  A "C4'" 1 
ATOM   28  O  "O4'" . DG  A 1 2  ? 10.118 -8.324  0.430   1.00 13.54 ?  2   DG  A "O4'" 1 
ATOM   29  C  "C3'" . DG  A 1 2  ? 9.613  -10.621 0.466   1.00 14.73 ?  2   DG  A "C3'" 1 
ATOM   30  O  "O3'" . DG  A 1 2  ? 8.664  -11.313 -0.287  1.00 18.86 ?  2   DG  A "O3'" 1 
ATOM   31  C  "C2'" . DG  A 1 2  ? 10.922 -10.364 -0.325  1.00 15.37 ?  2   DG  A "C2'" 1 
ATOM   32  C  "C1'" . DG  A 1 2  ? 10.802 -8.885  -0.670  1.00 12.82 ?  2   DG  A "C1'" 1 
ATOM   33  N  N9    . DG  A 1 2  ? 12.067 -8.174  -0.805  1.00 10.84 ?  2   DG  A N9    1 
ATOM   34  C  C8    . DG  A 1 2  ? 13.262 -8.461  -0.183  1.00 10.08 ?  2   DG  A C8    1 
ATOM   35  N  N7    . DG  A 1 2  ? 14.217 -7.616  -0.481  1.00 11.20 ?  2   DG  A N7    1 
ATOM   36  C  C5    . DG  A 1 2  ? 13.615 -6.714  -1.353  1.00 9.68  ?  2   DG  A C5    1 
ATOM   37  C  C6    . DG  A 1 2  ? 14.142 -5.566  -2.003  1.00 8.78  ?  2   DG  A C6    1 
ATOM   38  O  O6    . DG  A 1 2  ? 15.297 -5.109  -1.959  1.00 11.24 ?  2   DG  A O6    1 
ATOM   39  N  N1    . DG  A 1 2  ? 13.175 -4.920  -2.775  1.00 8.45  ?  2   DG  A N1    1 
ATOM   40  C  C2    . DG  A 1 2  ? 11.880 -5.330  -2.907  1.00 8.41  ?  2   DG  A C2    1 
ATOM   41  N  N2    . DG  A 1 2  ? 11.103 -4.584  -3.703  1.00 9.39  ?  2   DG  A N2    1 
ATOM   42  N  N3    . DG  A 1 2  ? 11.381 -6.402  -2.327  1.00 9.09  ?  2   DG  A N3    1 
ATOM   43  C  C4    . DG  A 1 2  ? 12.295 -7.042  -1.557  1.00 10.00 ?  2   DG  A C4    1 
ATOM   44  P  P     . DC  A 1 3  ? 8.662  -12.908 -0.364  1.00 19.31 ?  3   DC  A P     1 
ATOM   45  O  OP1   . DC  A 1 3  ? 7.314  -13.279 -0.830  1.00 22.48 ?  3   DC  A OP1   1 
ATOM   46  O  OP2   . DC  A 1 3  ? 9.250  -13.469 0.871   1.00 24.07 -1 3   DC  A OP2   1 
ATOM   47  O  "O5'" . DC  A 1 3  ? 9.703  -13.229 -1.529  1.00 20.63 ?  3   DC  A "O5'" 1 
ATOM   48  C  "C5'" . DC  A 1 3  ? 9.839  -14.554 -2.000  1.00 20.69 ?  3   DC  A "C5'" 1 
ATOM   49  C  "C4'" . DC  A 1 3  ? 10.074 -14.568 -3.493  1.00 18.82 ?  3   DC  A "C4'" 1 
ATOM   50  O  "O4'" . DC  A 1 3  ? 11.180 -13.722 -3.813  1.00 18.23 ?  3   DC  A "O4'" 1 
ATOM   51  C  "C3'" . DC  A 1 3  ? 10.410 -15.934 -4.081  1.00 16.70 ?  3   DC  A "C3'" 1 
ATOM   52  O  "O3'" . DC  A 1 3  ? 9.323  -16.348 -4.852  1.00 23.74 ?  3   DC  A "O3'" 1 
ATOM   53  C  "C2'" . DC  A 1 3  ? 11.681 -15.706 -4.933  1.00 19.12 ?  3   DC  A "C2'" 1 
ATOM   54  C  "C1'" . DC  A 1 3  ? 11.751 -14.190 -5.017  1.00 13.63 ?  3   DC  A "C1'" 1 
ATOM   55  N  N1    . DC  A 1 3  ? 13.111 -13.623 -5.065  1.00 15.66 ?  3   DC  A N1    1 
ATOM   56  C  C2    . DC  A 1 3  ? 13.364 -12.550 -5.918  1.00 11.73 ?  3   DC  A C2    1 
ATOM   57  O  O2    . DC  A 1 3  ? 12.443 -12.146 -6.661  1.00 13.24 ?  3   DC  A O2    1 
ATOM   58  N  N3    . DC  A 1 3  ? 14.600 -11.982 -5.910  1.00 10.96 ?  3   DC  A N3    1 
ATOM   59  C  C4    . DC  A 1 3  ? 15.546 -12.453 -5.107  1.00 11.50 ?  3   DC  A C4    1 
ATOM   60  N  N4    . DC  A 1 3  ? 16.744 -11.869 -5.138  1.00 13.01 ?  3   DC  A N4    1 
ATOM   61  C  C5    . DC  A 1 3  ? 15.301 -13.538 -4.225  1.00 14.75 ?  3   DC  A C5    1 
ATOM   62  C  C6    . DC  A 1 3  ? 14.077 -14.083 -4.234  1.00 12.36 ?  3   DC  A C6    1 
ATOM   63  P  P     . DC  A 1 4  ? 9.279  -17.821 -5.480  1.00 23.06 ?  4   DC  A P     1 
ATOM   64  O  OP1   . DC  A 1 4  ? 7.851  -18.211 -5.401  1.00 29.25 ?  4   DC  A OP1   1 
ATOM   65  O  OP2   . DC  A 1 4  ? 10.358 -18.674 -4.928  1.00 25.65 ?  4   DC  A OP2   1 
ATOM   66  O  "O5'" . DC  A 1 4  ? 9.607  -17.546 -7.020  1.00 21.17 ?  4   DC  A "O5'" 1 
ATOM   67  C  "C5'" . DC  A 1 4  ? 8.786  -16.655 -7.729  1.00 18.96 ?  4   DC  A "C5'" 1 
ATOM   68  C  "C4'" . DC  A 1 4  ? 9.545  -16.009 -8.862  1.00 15.09 ?  4   DC  A "C4'" 1 
ATOM   69  O  "O4'" . DC  A 1 4  ? 10.754 -15.400 -8.366  1.00 15.91 ?  4   DC  A "O4'" 1 
ATOM   70  C  "C3'" . DC  A 1 4  ? 9.970  -16.949 -9.988  1.00 15.61 ?  4   DC  A "C3'" 1 
ATOM   71  O  "O3'" . DC  A 1 4  ? 9.194  -16.627 -11.112 1.00 17.45 ?  4   DC  A "O3'" 1 
ATOM   72  C  "C2'" . DC  A 1 4  ? 11.476 -16.634 -10.189 1.00 18.30 ?  4   DC  A "C2'" 1 
ATOM   73  C  "C1'" . DC  A 1 4  ? 11.676 -15.335 -9.400  1.00 13.68 ?  4   DC  A "C1'" 1 
ATOM   74  N  N1    . DC  A 1 4  ? 13.027 -15.195 -8.770  1.00 13.86 ?  4   DC  A N1    1 
ATOM   75  C  C2    . DC  A 1 4  ? 13.814 -14.072 -9.038  1.00 12.76 ?  4   DC  A C2    1 
ATOM   76  O  O2    . DC  A 1 4  ? 13.388 -13.205 -9.807  1.00 13.69 ?  4   DC  A O2    1 
ATOM   77  N  N3    . DC  A 1 4  ? 15.036 -13.971 -8.448  1.00 13.04 ?  4   DC  A N3    1 
ATOM   78  C  C4    . DC  A 1 4  ? 15.460 -14.927 -7.625  1.00 11.73 ?  4   DC  A C4    1 
ATOM   79  N  N4    . DC  A 1 4  ? 16.668 -14.782 -7.065  1.00 13.05 ?  4   DC  A N4    1 
ATOM   80  C  C5    . DC  A 1 4  ? 14.665 -16.075 -7.334  1.00 11.94 ?  4   DC  A C5    1 
ATOM   81  C  C6    . DC  A 1 4  ? 13.469 -16.164 -7.917  1.00 13.42 ?  4   DC  A C6    1 
ATOM   82  P  P     . DG  A 1 5  ? 8.955  -17.659 -12.328 1.00 20.14 ?  5   DG  A P     1 
ATOM   83  O  OP1   . DG  A 1 5  ? 7.664  -17.216 -12.931 1.00 22.12 ?  5   DG  A OP1   1 
ATOM   84  O  OP2   . DG  A 1 5  ? 9.184  -19.051 -11.910 1.00 22.04 -1 5   DG  A OP2   1 
ATOM   85  O  "O5'" . DG  A 1 5  ? 10.141 -17.334 -13.348 1.00 18.50 ?  5   DG  A "O5'" 1 
ATOM   86  C  "C5'" . DG  A 1 5  ? 10.288 -16.027 -13.813 1.00 17.54 ?  5   DG  A "C5'" 1 
ATOM   87  C  "C4'" . DG  A 1 5  ? 11.355 -15.974 -14.861 1.00 13.43 ?  5   DG  A "C4'" 1 
ATOM   88  O  "O4'" . DG  A 1 5  ? 12.658 -16.144 -14.227 1.00 16.30 ?  5   DG  A "O4'" 1 
ATOM   89  C  "C3'" . DG  A 1 5  ? 11.265 -17.071 -15.921 1.00 15.64 ?  5   DG  A "C3'" 1 
ATOM   90  O  "O3'" . DG  A 1 5  ? 11.716 -16.538 -17.157 1.00 19.39 ?  5   DG  A "O3'" 1 
ATOM   91  C  "C2'" . DG  A 1 5  ? 12.244 -18.094 -15.382 1.00 15.18 ?  5   DG  A "C2'" 1 
ATOM   92  C  "C1'" . DG  A 1 5  ? 13.337 -17.164 -14.915 1.00 14.47 ?  5   DG  A "C1'" 1 
ATOM   93  N  N9    . DG  A 1 5  ? 14.317 -17.794 -14.056 1.00 15.70 ?  5   DG  A N9    1 
ATOM   94  C  C8    . DG  A 1 5  ? 14.140 -18.905 -13.255 1.00 15.90 ?  5   DG  A C8    1 
ATOM   95  N  N7    . DG  A 1 5  ? 15.227 -19.267 -12.622 1.00 15.26 ?  5   DG  A N7    1 
ATOM   96  C  C5    . DG  A 1 5  ? 16.195 -18.347 -13.060 1.00 12.12 ?  5   DG  A C5    1 
ATOM   97  C  C6    . DG  A 1 5  ? 17.575 -18.226 -12.726 1.00 13.78 ?  5   DG  A C6    1 
ATOM   98  O  O6    . DG  A 1 5  ? 18.251 -18.925 -11.942 1.00 14.90 ?  5   DG  A O6    1 
ATOM   99  N  N1    . DG  A 1 5  ? 18.172 -17.152 -13.379 1.00 12.14 ?  5   DG  A N1    1 
ATOM   100 C  C2    . DG  A 1 5  ? 17.513 -16.298 -14.240 1.00 10.16 ?  5   DG  A C2    1 
ATOM   101 N  N2    . DG  A 1 5  ? 18.231 -15.301 -14.765 1.00 11.18 ?  5   DG  A N2    1 
ATOM   102 N  N3    . DG  A 1 5  ? 16.239 -16.409 -14.564 1.00 10.72 ?  5   DG  A N3    1 
ATOM   103 C  C4    . DG  A 1 5  ? 15.643 -17.446 -13.942 1.00 11.60 ?  5   DG  A C4    1 
ATOM   104 P  P     . DT  A 1 6  ? 11.204 -17.113 -18.569 1.00 20.26 ?  6   DT  A P     1 
ATOM   105 O  OP1   . DT  A 1 6  ? 9.734  -17.241 -18.620 1.00 24.89 ?  6   DT  A OP1   1 
ATOM   106 O  OP2   . DT  A 1 6  ? 12.061 -18.267 -18.831 1.00 21.71 -1 6   DT  A OP2   1 
ATOM   107 O  "O5'" . DT  A 1 6  ? 11.475 -15.883 -19.554 1.00 23.06 ?  6   DT  A "O5'" 1 
ATOM   108 C  "C5'" . DT  A 1 6  ? 12.671 -15.819 -20.279 1.00 18.67 ?  6   DT  A "C5'" 1 
ATOM   109 C  "C4'" . DT  A 1 6  ? 13.619 -14.810 -19.686 1.00 16.73 ?  6   DT  A "C4'" 1 
ATOM   110 O  "O4'" . DT  A 1 6  ? 14.273 -15.389 -18.523 1.00 15.24 ?  6   DT  A "O4'" 1 
ATOM   111 C  "C3'" . DT  A 1 6  ? 14.754 -14.406 -20.602 1.00 18.58 ?  6   DT  A "C3'" 1 
ATOM   112 O  "O3'" . DT  A 1 6  ? 15.210 -13.111 -20.244 1.00 18.19 ?  6   DT  A "O3'" 1 
ATOM   113 C  "C2'" . DT  A 1 6  ? 15.803 -15.459 -20.288 1.00 13.95 ?  6   DT  A "C2'" 1 
ATOM   114 C  "C1'" . DT  A 1 6  ? 15.666 -15.479 -18.782 1.00 11.87 ?  6   DT  A "C1'" 1 
ATOM   115 N  N1    . DT  A 1 6  ? 16.210 -16.674 -18.083 1.00 11.95 ?  6   DT  A N1    1 
ATOM   116 C  C2    . DT  A 1 6  ? 17.504 -16.657 -17.661 1.00 10.74 ?  6   DT  A C2    1 
ATOM   117 O  O2    . DT  A 1 6  ? 18.254 -15.716 -17.857 1.00 15.74 ?  6   DT  A O2    1 
ATOM   118 N  N3    . DT  A 1 6  ? 17.900 -17.764 -16.978 1.00 12.45 ?  6   DT  A N3    1 
ATOM   119 C  C4    . DT  A 1 6  ? 17.147 -18.872 -16.685 1.00 12.29 ?  6   DT  A C4    1 
ATOM   120 O  O4    . DT  A 1 6  ? 17.597 -19.806 -16.039 1.00 15.11 ?  6   DT  A O4    1 
ATOM   121 C  C5    . DT  A 1 6  ? 15.784 -18.839 -17.181 1.00 11.65 ?  6   DT  A C5    1 
ATOM   122 C  C7    . DT  A 1 6  ? 14.853 -19.980 -16.923 1.00 17.23 ?  6   DT  A C7    1 
ATOM   123 C  C6    . DT  A 1 6  ? 15.385 -17.736 -17.832 1.00 13.49 ?  6   DT  A C6    1 
ATOM   124 P  P     . DA  B 2 1  ? 30.442 -19.636 -16.439 0.00 30.48 ?  2   DA  B P     1 
ATOM   125 O  OP1   . DA  B 2 1  ? 30.523 -20.885 -17.234 0.30 29.88 ?  2   DA  B OP1   1 
ATOM   126 O  OP2   . DA  B 2 1  ? 31.215 -18.443 -16.851 0.41 37.21 -1 2   DA  B OP2   1 
ATOM   127 O  "O5'" . DA  B 2 1  ? 28.903 -19.213 -16.272 1.00 27.95 ?  2   DA  B "O5'" 1 
ATOM   128 C  "C5'" . DA  B 2 1  ? 28.496 -18.437 -15.157 1.00 27.34 ?  2   DA  B "C5'" 1 
ATOM   129 C  "C4'" . DA  B 2 1  ? 27.850 -17.142 -15.610 1.00 24.86 ?  2   DA  B "C4'" 1 
ATOM   130 O  "O4'" . DA  B 2 1  ? 26.515 -17.414 -16.127 1.00 24.04 ?  2   DA  B "O4'" 1 
ATOM   131 C  "C3'" . DA  B 2 1  ? 27.674 -16.104 -14.507 1.00 22.27 ?  2   DA  B "C3'" 1 
ATOM   132 O  "O3'" . DA  B 2 1  ? 27.844 -14.814 -15.039 1.00 23.95 ?  2   DA  B "O3'" 1 
ATOM   133 C  "C2'" . DA  B 2 1  ? 26.248 -16.348 -14.028 1.00 22.34 ?  2   DA  B "C2'" 1 
ATOM   134 C  "C1'" . DA  B 2 1  ? 25.542 -16.776 -15.315 1.00 19.49 ?  2   DA  B "C1'" 1 
ATOM   135 N  N9    . DA  B 2 1  ? 24.448 -17.717 -15.070 1.00 17.51 ?  2   DA  B N9    1 
ATOM   136 C  C8    . DA  B 2 1  ? 24.513 -18.897 -14.393 1.00 18.29 ?  2   DA  B C8    1 
ATOM   137 N  N7    . DA  B 2 1  ? 23.367 -19.528 -14.318 1.00 15.60 ?  2   DA  B N7    1 
ATOM   138 C  C5    . DA  B 2 1  ? 22.489 -18.711 -14.994 1.00 14.11 ?  2   DA  B C5    1 
ATOM   139 C  C6    . DA  B 2 1  ? 21.119 -18.824 -15.270 1.00 12.34 ?  2   DA  B C6    1 
ATOM   140 N  N6    . DA  B 2 1  ? 20.365 -19.858 -14.861 1.00 15.55 ?  2   DA  B N6    1 
ATOM   141 N  N1    . DA  B 2 1  ? 20.548 -17.840 -15.978 1.00 11.16 ?  2   DA  B N1    1 
ATOM   142 C  C2    . DA  B 2 1  ? 21.288 -16.790 -16.370 1.00 12.40 ?  2   DA  B C2    1 
ATOM   143 N  N3    . DA  B 2 1  ? 22.581 -16.572 -16.168 1.00 14.96 ?  2   DA  B N3    1 
ATOM   144 C  C4    . DA  B 2 1  ? 23.133 -17.590 -15.475 1.00 16.29 ?  2   DA  B C4    1 
ATOM   145 P  P     . DC  B 2 2  ? 28.133 -13.537 -14.109 1.00 23.70 ?  3   DC  B P     1 
ATOM   146 O  OP1   . DC  B 2 2  ? 28.787 -12.568 -14.905 1.00 27.96 ?  3   DC  B OP1   1 
ATOM   147 O  OP2   . DC  B 2 2  ? 28.654 -14.028 -12.863 1.00 25.78 -1 3   DC  B OP2   1 
ATOM   148 O  "O5'" . DC  B 2 2  ? 26.658 -13.029 -13.782 1.00 20.18 ?  3   DC  B "O5'" 1 
ATOM   149 C  "C5'" . DC  B 2 2  ? 25.900 -12.417 -14.802 1.00 22.35 ?  3   DC  B "C5'" 1 
ATOM   150 C  "C4'" . DC  B 2 2  ? 24.476 -12.274 -14.321 1.00 16.53 ?  3   DC  B "C4'" 1 
ATOM   151 O  "O4'" . DC  B 2 2  ? 23.859 -13.576 -14.226 1.00 12.91 ?  3   DC  B "O4'" 1 
ATOM   152 C  "C3'" . DC  B 2 2  ? 24.369 -11.638 -12.932 1.00 17.09 ?  3   DC  B "C3'" 1 
ATOM   153 O  "O3'" . DC  B 2 2  ? 23.367 -10.626 -12.858 1.00 19.06 ?  3   DC  B "O3'" 1 
ATOM   154 C  "C2'" . DC  B 2 2  ? 23.858 -12.784 -12.078 1.00 18.47 ?  3   DC  B "C2'" 1 
ATOM   155 C  "C1'" . DC  B 2 2  ? 23.048 -13.544 -13.098 1.00 13.33 ?  3   DC  B "C1'" 1 
ATOM   156 N  N1    . DC  B 2 2  ? 22.656 -14.904 -12.725 1.00 14.35 ?  3   DC  B N1    1 
ATOM   157 C  C2    . DC  B 2 2  ? 21.407 -15.332 -13.128 1.00 11.90 ?  3   DC  B C2    1 
ATOM   158 O  O2    . DC  B 2 2  ? 20.770 -14.632 -13.914 1.00 12.56 ?  3   DC  B O2    1 
ATOM   159 N  N3    . DC  B 2 2  ? 20.937 -16.517 -12.689 1.00 10.71 ?  3   DC  B N3    1 
ATOM   160 C  C4    . DC  B 2 2  ? 21.676 -17.261 -11.873 1.00 12.69 ?  3   DC  B C4    1 
ATOM   161 N  N4    . DC  B 2 2  ? 21.180 -18.421 -11.467 1.00 14.55 ?  3   DC  B N4    1 
ATOM   162 C  C5    . DC  B 2 2  ? 22.967 -16.851 -11.449 1.00 15.93 ?  3   DC  B C5    1 
ATOM   163 C  C6    . DC  B 2 2  ? 23.402 -15.661 -11.867 1.00 16.03 ?  3   DC  B C6    1 
ATOM   164 P  P     . DG  B 2 3  ? 23.734 -9.135  -12.568 1.00 23.86 ?  4   DG  B P     1 
ATOM   165 O  OP1   . DG  B 2 3  ? 24.621 -8.656  -13.639 1.00 27.19 ?  4   DG  B OP1   1 
ATOM   166 O  OP2   . DG  B 2 3  ? 24.169 -9.051  -11.165 1.00 28.83 -1 4   DG  B OP2   1 
ATOM   167 O  "O5'" . DG  B 2 3  ? 22.342 -8.391  -12.742 1.00 19.53 ?  4   DG  B "O5'" 1 
ATOM   168 C  "C5'" . DG  B 2 3  ? 21.686 -8.439  -13.993 1.00 16.53 ?  4   DG  B "C5'" 1 
ATOM   169 C  "C4'" . DG  B 2 3  ? 20.269 -7.906  -13.890 1.00 15.48 ?  4   DG  B "C4'" 1 
ATOM   170 O  "O4'" . DG  B 2 3  ? 19.444 -8.796  -13.087 1.00 16.00 ?  4   DG  B "O4'" 1 
ATOM   171 C  "C3'" . DG  B 2 3  ? 20.116 -6.550  -13.242 1.00 14.97 ?  4   DG  B "C3'" 1 
ATOM   172 O  "O3'" . DG  B 2 3  ? 18.934 -5.990  -13.768 1.00 15.07 ?  4   DG  B "O3'" 1 
ATOM   173 C  "C2'" . DG  B 2 3  ? 19.943 -6.922  -11.768 1.00 16.45 ?  4   DG  B "C2'" 1 
ATOM   174 C  "C1'" . DG  B 2 3  ? 19.043 -8.139  -11.893 1.00 12.14 ?  4   DG  B "C1'" 1 
ATOM   175 N  N9    . DG  B 2 3  ? 19.181 -9.113  -10.818 1.00 13.21 ?  4   DG  B N9    1 
ATOM   176 C  C8    . DG  B 2 3  ? 20.312 -9.409  -10.101 1.00 14.75 ?  4   DG  B C8    1 
ATOM   177 N  N7    . DG  B 2 3  ? 20.135 -10.382 -9.226  1.00 14.56 ?  4   DG  B N7    1 
ATOM   178 C  C5    . DG  B 2 3  ? 18.809 -10.751 -9.397  1.00 11.23 ?  4   DG  B C5    1 
ATOM   179 C  C6    . DG  B 2 3  ? 18.043 -11.759 -8.753  1.00 12.48 ?  4   DG  B C6    1 
ATOM   180 O  O6    . DG  B 2 3  ? 18.395 -12.553 -7.852  1.00 13.56 ?  4   DG  B O6    1 
ATOM   181 N  N1    . DG  B 2 3  ? 16.735 -11.796 -9.241  1.00 10.87 ?  4   DG  B N1    1 
ATOM   182 C  C2    . DG  B 2 3  ? 16.237 -10.972 -10.241 1.00 9.39  ?  4   DG  B C2    1 
ATOM   183 N  N2    . DG  B 2 3  ? 14.958 -11.158 -10.591 1.00 11.39 ?  4   DG  B N2    1 
ATOM   184 N  N3    . DG  B 2 3  ? 16.949 -10.040 -10.853 1.00 12.49 ?  4   DG  B N3    1 
ATOM   185 C  C4    . DG  B 2 3  ? 18.216 -9.987  -10.391 1.00 10.90 ?  4   DG  B C4    1 
ATOM   186 P  P     . DG  B 2 4  ? 18.556 -4.457  -13.545 1.00 18.25 ?  5   DG  B P     1 
ATOM   187 O  OP1   . DG  B 2 4  ? 18.532 -3.831  -14.887 1.00 21.27 -1 5   DG  B OP1   1 
ATOM   188 O  OP2   . DG  B 2 4  ? 19.380 -3.854  -12.489 1.00 20.29 ?  5   DG  B OP2   1 
ATOM   189 O  "O5'" . DG  B 2 4  ? 17.076 -4.553  -12.977 1.00 17.14 ?  5   DG  B "O5'" 1 
ATOM   190 C  "C5'" . DG  B 2 4  ? 16.054 -5.141  -13.729 1.00 10.94 ?  5   DG  B "C5'" 1 
ATOM   191 C  "C4'" . DG  B 2 4  ? 14.767 -5.098  -12.929 1.00 10.98 ?  5   DG  B "C4'" 1 
ATOM   192 O  "O4'" . DG  B 2 4  ? 14.780 -6.141  -11.926 1.00 10.70 ?  5   DG  B "O4'" 1 
ATOM   193 C  "C3'" . DG  B 2 4  ? 14.534 -3.795  -12.183 1.00 9.17  ?  5   DG  B "C3'" 1 
ATOM   194 O  "O3'" . DG  B 2 4  ? 13.182 -3.407  -12.336 1.00 9.93  ?  5   DG  B "O3'" 1 
ATOM   195 C  "C2'" . DG  B 2 4  ? 14.894 -4.128  -10.716 1.00 10.90 ?  5   DG  B "C2'" 1 
ATOM   196 C  "C1'" . DG  B 2 4  ? 14.563 -5.602  -10.634 1.00 10.26 ?  5   DG  B "C1'" 1 
ATOM   197 N  N9    . DG  B 2 4  ? 15.411 -6.367  -9.736  1.00 10.20 ?  5   DG  B N9    1 
ATOM   198 C  C8    . DG  B 2 4  ? 16.750 -6.204  -9.514  1.00 10.70 ?  5   DG  B C8    1 
ATOM   199 N  N7    . DG  B 2 4  ? 17.243 -7.093  -8.700  1.00 12.01 ?  5   DG  B N7    1 
ATOM   200 C  C5    . DG  B 2 4  ? 16.153 -7.895  -8.375  1.00 10.31 ?  5   DG  B C5    1 
ATOM   201 C  C6    . DG  B 2 4  ? 16.054 -9.010  -7.495  1.00 11.55 ?  5   DG  B C6    1 
ATOM   202 O  O6    . DG  B 2 4  ? 16.954 -9.539  -6.840  1.00 13.42 ?  5   DG  B O6    1 
ATOM   203 N  N1    . DG  B 2 4  ? 14.756 -9.534  -7.457  1.00 9.86  ?  5   DG  B N1    1 
ATOM   204 C  C2    . DG  B 2 4  ? 13.684 -9.008  -8.148  1.00 11.88 ?  5   DG  B C2    1 
ATOM   205 N  N2    . DG  B 2 4  ? 12.507 -9.632  -8.013  1.00 11.89 ?  5   DG  B N2    1 
ATOM   206 N  N3    . DG  B 2 4  ? 13.768 -7.954  -8.946  1.00 12.10 ?  5   DG  B N3    1 
ATOM   207 C  C4    . DG  B 2 4  ? 15.026 -7.452  -9.003  1.00 10.73 ?  5   DG  B C4    1 
ATOM   208 P  P     . DC  B 2 5  ? 12.786 -1.859  -12.297 1.00 11.25 ?  6   DC  B P     1 
ATOM   209 O  OP1   . DC  B 2 5  ? 11.384 -1.731  -12.644 1.00 11.30 ?  6   DC  B OP1   1 
ATOM   210 O  OP2   . DC  B 2 5  ? 13.825 -1.081  -13.024 1.00 11.81 -1 6   DC  B OP2   1 
ATOM   211 O  "O5'" . DC  B 2 5  ? 13.004 -1.513  -10.755 1.00 10.50 ?  6   DC  B "O5'" 1 
ATOM   212 C  "C5'" . DC  B 2 5  ? 13.006 -0.186  -10.322 1.00 12.14 ?  6   DC  B "C5'" 1 
ATOM   213 C  "C4'" . DC  B 2 5  ? 12.273 -0.100  -9.012  1.00 12.69 ?  6   DC  B "C4'" 1 
ATOM   214 O  "O4'" . DC  B 2 5  ? 12.946 -0.869  -8.023  1.00 11.69 ?  6   DC  B "O4'" 1 
ATOM   215 C  "C3'" . DC  B 2 5  ? 12.138 1.292   -8.441  1.00 11.03 ?  6   DC  B "C3'" 1 
ATOM   216 O  "O3'" . DC  B 2 5  ? 10.798 1.698   -8.675  1.00 10.78 ?  6   DC  B "O3'" 1 
ATOM   217 C  "C2'" . DC  B 2 5  ? 12.467 1.112   -6.914  1.00 10.24 ?  6   DC  B "C2'" 1 
ATOM   218 C  "C1'" . DC  B 2 5  ? 12.541 -0.403  -6.766  1.00 11.55 ?  6   DC  B "C1'" 1 
ATOM   219 N  N1    . DC  B 2 5  ? 13.552 -0.944  -5.819  1.00 10.79 ?  6   DC  B N1    1 
ATOM   220 C  C2    . DC  B 2 5  ? 13.169 -1.884  -4.857  1.00 10.07 ?  6   DC  B C2    1 
ATOM   221 O  O2    . DC  B 2 5  ? 11.955 -2.137  -4.697  1.00 10.15 ?  6   DC  B O2    1 
ATOM   222 N  N3    . DC  B 2 5  ? 14.131 -2.455  -4.079  1.00 9.81  ?  6   DC  B N3    1 
ATOM   223 C  C4    . DC  B 2 5  ? 15.408 -2.136  -4.256  1.00 10.49 ?  6   DC  B C4    1 
ATOM   224 N  N4    . DC  B 2 5  ? 16.313 -2.725  -3.468  1.00 12.03 ?  6   DC  B N4    1 
ATOM   225 C  C5    . DC  B 2 5  ? 15.820 -1.202  -5.250  1.00 10.56 ?  6   DC  B C5    1 
ATOM   226 C  C6    . DC  B 2 5  ? 14.875 -0.665  -6.023  1.00 12.20 ?  6   DC  B C6    1 
ATOM   227 P  P     . DT  B 2 6  ? 10.366 3.241   -8.608  1.00 11.52 ?  7   DT  B P     1 
ATOM   228 O  OP1   . DT  B 2 6  ? 9.378  3.408   -9.693  1.00 12.23 ?  7   DT  B OP1   1 
ATOM   229 O  OP2   . DT  B 2 6  ? 11.588 4.040   -8.543  1.00 12.04 -1 7   DT  B OP2   1 
ATOM   230 O  "O5'" . DT  B 2 6  ? 9.631  3.326   -7.195  1.00 11.37 ?  7   DT  B "O5'" 1 
ATOM   231 C  "C5'" . DT  B 2 6  ? 8.470  2.544   -6.958  1.00 11.26 ?  7   DT  B "C5'" 1 
ATOM   232 C  "C4'" . DT  B 2 6  ? 8.299  2.315   -5.477  1.00 10.12 ?  7   DT  B "C4'" 1 
ATOM   233 O  "O4'" . DT  B 2 6  ? 9.340  1.449   -5.017  1.00 10.51 ?  7   DT  B "O4'" 1 
ATOM   234 C  "C3'" . DT  B 2 6  ? 8.458  3.561   -4.624  1.00 10.15 ?  7   DT  B "C3'" 1 
ATOM   235 O  "O3'" . DT  B 2 6  ? 7.198  4.214   -4.479  1.00 12.57 ?  7   DT  B "O3'" 1 
ATOM   236 C  "C2'" . DT  B 2 6  ? 9.001  3.017   -3.286  1.00 10.47 ?  7   DT  B "C2'" 1 
ATOM   237 C  "C1'" . DT  B 2 6  ? 9.392  1.563   -3.617  1.00 10.53 ?  7   DT  B "C1'" 1 
ATOM   238 N  N1    . DT  B 2 6  ? 10.762 1.189   -3.198  1.00 7.91  ?  7   DT  B N1    1 
ATOM   239 C  C2    . DT  B 2 6  ? 10.945 0.071   -2.412  1.00 8.32  ?  7   DT  B C2    1 
ATOM   240 O  O2    . DT  B 2 6  ? 10.028 -0.629  -1.997  1.00 11.93 ?  7   DT  B O2    1 
ATOM   241 N  N3    . DT  B 2 6  ? 12.237 -0.202  -2.112  1.00 9.81  ?  7   DT  B N3    1 
ATOM   242 C  C4    . DT  B 2 6  ? 13.361 0.492   -2.490  1.00 10.35 ?  7   DT  B C4    1 
ATOM   243 O  O4    . DT  B 2 6  ? 14.481 0.130   -2.145  1.00 11.89 ?  7   DT  B O4    1 
ATOM   244 C  C5    . DT  B 2 6  ? 13.124 1.651   -3.329  1.00 9.84  ?  7   DT  B C5    1 
ATOM   245 C  C7    . DT  B 2 6  ? 14.282 2.481   -3.827  1.00 11.30 ?  7   DT  B C7    1 
ATOM   246 C  C6    . DT  B 2 6  ? 11.848 1.942   -3.643  1.00 8.29  ?  7   DT  B C6    1 
ATOM   247 N  N     . THR C 3 1  ? 9.799  -8.181  -4.376  1.00 11.08 ?  1   THR G N     1 
ATOM   248 C  CA    . THR C 3 1  ? 8.401  -8.128  -4.789  1.00 10.79 ?  1   THR G CA    1 
ATOM   249 C  C     . THR C 3 1  ? 7.971  -6.710  -5.092  1.00 12.00 ?  1   THR G C     1 
ATOM   250 O  O     . THR C 3 1  ? 8.585  -5.758  -4.581  1.00 11.69 ?  1   THR G O     1 
ATOM   251 C  CB    . THR C 3 1  ? 7.458  -8.613  -3.712  1.00 13.74 ?  1   THR G CB    1 
ATOM   252 O  OG1   . THR C 3 1  ? 7.581  -7.715  -2.607  1.00 13.67 ?  1   THR G OG1   1 
ATOM   253 C  CG2   . THR C 3 1  ? 7.776  -10.052 -3.276  1.00 14.46 ?  1   THR G CG2   1 
HETATM 254 N  N     . DVA C 3 2  ? 6.901  -6.592  -5.850  1.00 13.55 ?  2   DVA G N     1 
HETATM 255 C  CA    . DVA C 3 2  ? 6.213  -5.288  -6.049  1.00 15.08 ?  2   DVA G CA    1 
HETATM 256 C  CB    . DVA C 3 2  ? 4.747  -5.588  -6.372  1.00 22.92 ?  2   DVA G CB    1 
HETATM 257 C  CG1   . DVA C 3 2  ? 3.925  -4.326  -6.530  1.00 14.09 ?  2   DVA G CG1   1 
HETATM 258 C  CG2   . DVA C 3 2  ? 4.124  -6.520  -5.350  1.00 19.12 ?  2   DVA G CG2   1 
HETATM 259 C  C     . DVA C 3 2  ? 6.817  -4.445  -7.157  1.00 12.15 ?  2   DVA G C     1 
HETATM 260 O  O     . DVA C 3 2  ? 6.747  -4.844  -8.296  1.00 13.33 ?  2   DVA G O     1 
ATOM   261 N  N     . PRO C 3 3  ? 7.374  -3.270  -6.821  1.00 12.24 ?  3   PRO G N     1 
ATOM   262 C  CA    . PRO C 3 3  ? 7.690  -2.873  -5.440  1.00 14.40 ?  3   PRO G CA    1 
ATOM   263 C  C     . PRO C 3 3  ? 6.550  -2.203  -4.682  1.00 14.22 ?  3   PRO G C     1 
ATOM   264 O  O     . PRO C 3 3  ? 5.706  -1.571  -5.302  1.00 16.27 ?  3   PRO G O     1 
ATOM   265 C  CB    . PRO C 3 3  ? 8.834  -1.885  -5.644  1.00 13.42 ?  3   PRO G CB    1 
ATOM   266 C  CG    . PRO C 3 3  ? 8.487  -1.214  -6.947  1.00 13.31 ?  3   PRO G CG    1 
ATOM   267 C  CD    . PRO C 3 3  ? 7.962  -2.343  -7.807  1.00 10.77 ?  3   PRO G CD    1 
HETATM 268 N  N     . SAR C 3 4  ? 6.524  -2.309  -3.360  1.00 14.16 ?  4   SAR G N     1 
HETATM 269 C  CA    . SAR C 3 4  ? 7.464  -3.105  -2.564  1.00 13.40 ?  4   SAR G CA    1 
HETATM 270 C  C     . SAR C 3 4  ? 6.819  -4.448  -2.180  1.00 14.19 ?  4   SAR G C     1 
HETATM 271 O  O     . SAR C 3 4  ? 5.822  -4.799  -2.735  1.00 14.94 ?  4   SAR G O     1 
HETATM 272 C  CN    . SAR C 3 4  ? 5.449  -1.753  -2.548  1.00 14.88 ?  4   SAR G CN    1 
HETATM 273 N  N     . MVA C 3 5  ? 7.427  -5.185  -1.247  1.00 13.51 ?  5   MVA G N     1 
HETATM 274 C  CN    . MVA C 3 5  ? 8.744  -4.925  -0.692  1.00 14.43 ?  5   MVA G CN    1 
HETATM 275 C  CA    . MVA C 3 5  ? 6.846  -6.413  -0.672  1.00 14.82 ?  5   MVA G CA    1 
HETATM 276 C  CB    . MVA C 3 5  ? 5.574  -6.113  0.133   1.00 18.25 ?  5   MVA G CB    1 
HETATM 277 C  CG1   . MVA C 3 5  ? 5.851  -5.077  1.223   1.00 17.11 ?  5   MVA G CG1   1 
HETATM 278 C  CG2   . MVA C 3 5  ? 5.098  -7.390  0.836   1.00 18.47 ?  5   MVA G CG2   1 
HETATM 279 C  C     . MVA C 3 5  ? 6.538  -7.458  -1.760  1.00 16.95 ?  5   MVA G C     1 
HETATM 280 O  O     . MVA C 3 5  ? 5.456  -7.786  -2.109  1.00 15.76 ?  5   MVA G O     1 
HETATM 281 C  C1    . PXZ C 3 6  ? 12.103 -9.193  -4.435  1.00 11.34 ?  6   PXZ G C1    1 
HETATM 282 C  C0    . PXZ C 3 6  ? 10.658 -9.199  -4.883  1.00 13.63 ?  6   PXZ G C0    1 
HETATM 283 O  O1    . PXZ C 3 6  ? 10.118 -10.141 -5.443  1.00 15.82 ?  6   PXZ G O1    1 
HETATM 284 C  C2    . PXZ C 3 6  ? 12.571 -10.216 -3.627  1.00 12.14 ?  6   PXZ G C2    1 
HETATM 285 N  N2    . PXZ C 3 6  ? 11.586 -11.280 -3.289  1.00 16.79 ?  6   PXZ G N2    1 
HETATM 286 C  C3    . PXZ C 3 6  ? 13.892 -10.213 -3.199  1.00 13.87 ?  6   PXZ G C3    1 
HETATM 287 O  O3    . PXZ C 3 6  ? 14.298 -11.082 -2.486  1.00 22.57 ?  6   PXZ G O3    1 
HETATM 288 C  C4    . PXZ C 3 6  ? 14.771 -9.200  -3.569  1.00 12.53 ?  6   PXZ G C4    1 
HETATM 289 O  O5    . PXZ C 3 6  ? 15.148 -7.188  -4.798  1.00 13.44 ?  6   PXZ G O5    1 
HETATM 290 C  C6    . PXZ C 3 6  ? 15.632 -5.257  -6.101  1.00 12.73 ?  6   PXZ G C6    1 
HETATM 291 C  C7    . PXZ C 3 6  ? 15.235 -4.208  -6.944  1.00 11.96 ?  6   PXZ G C7    1 
HETATM 292 C  C8    . PXZ C 3 6  ? 13.900 -4.137  -7.361  1.00 10.80 ?  6   PXZ G C8    1 
HETATM 293 C  C9    . PXZ C 3 6  ? 13.002 -5.117  -6.905  1.00 8.74  ?  6   PXZ G C9    1 
HETATM 294 C  "C0'" . PXZ C 3 6  ? 11.497 -5.103  -7.338  1.00 11.65 ?  6   PXZ G "C0'" 1 
HETATM 295 O  "O1'" . PXZ C 3 6  ? 10.747 -4.178  -7.185  1.00 13.30 ?  6   PXZ G "O1'" 1 
HETATM 296 N  N10   . PXZ C 3 6  ? 12.496 -7.131  -5.616  1.00 10.39 ?  6   PXZ G N10   1 
HETATM 297 C  C11   . PXZ C 3 6  ? 12.978 -8.162  -4.842  1.00 10.46 ?  6   PXZ G C11   1 
HETATM 298 C  C12   . PXZ C 3 6  ? 14.293 -8.163  -4.402  1.00 11.58 ?  6   PXZ G C12   1 
HETATM 299 C  C13   . PXZ C 3 6  ? 14.713 -6.213  -5.639  1.00 11.02 ?  6   PXZ G C13   1 
HETATM 300 C  C14   . PXZ C 3 6  ? 13.394 -6.164  -6.043  1.00 10.60 ?  6   PXZ G C14   1 
HETATM 301 C  C15   . PXZ C 3 6  ? 16.221 -9.225  -3.081  1.00 15.06 ?  6   PXZ G C15   1 
HETATM 302 C  C16   . PXZ C 3 6  ? 17.063 -5.377  -5.617  1.00 14.49 ?  6   PXZ G C16   1 
ATOM   303 N  N     . THR C 3 7  ? 11.180 -6.131  -8.269  1.00 10.58 ?  7   THR G N     1 
ATOM   304 C  CA    . THR C 3 7  ? 9.854  -6.080  -8.884  1.00 11.02 ?  7   THR G CA    1 
ATOM   305 C  C     . THR C 3 7  ? 9.227  -7.460  -8.877  1.00 14.16 ?  7   THR G C     1 
ATOM   306 O  O     . THR C 3 7  ? 9.942  -8.462  -8.795  1.00 14.09 ?  7   THR G O     1 
ATOM   307 C  CB    . THR C 3 7  ? 9.886  -5.633  -10.362 1.00 10.60 ?  7   THR G CB    1 
ATOM   308 O  OG1   . THR C 3 7  ? 10.616 -6.609  -11.117 1.00 12.29 ?  7   THR G OG1   1 
ATOM   309 C  CG2   . THR C 3 7  ? 10.518 -4.269  -10.548 1.00 10.81 ?  7   THR G CG2   1 
HETATM 310 N  N     . DVA C 3 8  ? 7.917  -7.502  -9.005  1.00 13.01 ?  8   DVA G N     1 
HETATM 311 C  CA    . DVA C 3 8  ? 7.218  -8.778  -9.306  1.00 15.66 ?  8   DVA G CA    1 
HETATM 312 C  CB    . DVA C 3 8  ? 5.874  -8.419  -9.946  1.00 23.38 ?  8   DVA G CB    1 
HETATM 313 C  CG1   . DVA C 3 8  ? 5.110  -9.656  -10.393 1.00 22.04 ?  8   DVA G CG1   1 
HETATM 314 C  CG2   . DVA C 3 8  ? 6.047  -7.439  -11.095 1.00 19.49 ?  8   DVA G CG2   1 
HETATM 315 C  C     . DVA C 3 8  ? 7.011  -9.618  -8.068  1.00 17.36 ?  8   DVA G C     1 
HETATM 316 O  O     . DVA C 3 8  ? 6.240  -9.189  -7.215  1.00 17.89 ?  8   DVA G O     1 
ATOM   317 N  N     . PRO C 3 9  ? 7.605  -10.830 -7.982  1.00 15.41 ?  9   PRO G N     1 
ATOM   318 C  CA    . PRO C 3 9  ? 8.696  -11.332 -8.835  1.00 13.59 ?  9   PRO G CA    1 
ATOM   319 C  C     . PRO C 3 9  ? 8.237  -12.051 -10.103 1.00 14.58 ?  9   PRO G C     1 
ATOM   320 O  O     . PRO C 3 9  ? 7.109  -12.533 -10.142 1.00 19.60 ?  9   PRO G O     1 
ATOM   321 C  CB    . PRO C 3 9  ? 9.427  -12.320 -7.914  1.00 15.34 ?  9   PRO G CB    1 
ATOM   322 C  CG    . PRO C 3 9  ? 8.353  -12.842 -7.039  1.00 16.13 ?  9   PRO G CG    1 
ATOM   323 C  CD    . PRO C 3 9  ? 7.367  -11.712 -6.824  1.00 16.79 ?  9   PRO G CD    1 
HETATM 324 N  N     . SAR C 3 10 ? 9.067  -12.059 -11.143 1.00 17.49 ?  10  SAR G N     1 
HETATM 325 C  CA    . SAR C 3 10 ? 10.286 -11.284 -11.220 1.00 17.14 ?  10  SAR G CA    1 
HETATM 326 C  C     . SAR C 3 10 ? 9.990  -9.937  -11.879 1.00 13.74 ?  10  SAR G C     1 
HETATM 327 O  O     . SAR C 3 10 ? 8.881  -9.608  -12.090 1.00 15.96 ?  10  SAR G O     1 
HETATM 328 C  CN    . SAR C 3 10 ? 8.942  -12.980 -12.258 1.00 20.82 ?  10  SAR G CN    1 
HETATM 329 N  N     . MVA C 3 11 ? 11.048 -9.203  -12.188 1.00 14.97 ?  11  MVA G N     1 
HETATM 330 C  CN    . MVA C 3 11 ? 12.405 -9.523  -11.771 1.00 14.39 ?  11  MVA G CN    1 
HETATM 331 C  CA    . MVA C 3 11 ? 10.977 -7.969  -12.967 1.00 12.08 ?  11  MVA G CA    1 
HETATM 332 C  CB    . MVA C 3 11 ? 10.508 -8.253  -14.401 1.00 14.27 ?  11  MVA G CB    1 
HETATM 333 C  CG1   . MVA C 3 11 ? 10.819 -7.031  -15.243 1.00 13.70 ?  11  MVA G CG1   1 
HETATM 334 C  CG2   . MVA C 3 11 ? 11.173 -9.477  -15.038 1.00 17.15 ?  11  MVA G CG2   1 
HETATM 335 C  C     . MVA C 3 11 ? 10.066 -6.913  -12.323 1.00 14.48 ?  11  MVA G C     1 
HETATM 336 O  O     . MVA C 3 11 ? 9.020  -6.537  -12.735 1.00 15.01 ?  11  MVA G O     1 
HETATM 337 C  C1    . DM2 D 4 .  ? 19.503 -17.237 -8.172  1.00 16.40 ?  101 DM2 A C1    1 
HETATM 338 C  C2    . DM2 D 4 .  ? 20.733 -17.300 -7.545  1.00 16.83 ?  101 DM2 A C2    1 
HETATM 339 C  C3    . DM2 D 4 .  ? 21.735 -16.379 -7.834  1.00 17.41 ?  101 DM2 A C3    1 
HETATM 340 C  C4    . DM2 D 4 .  ? 21.522 -15.366 -8.762  1.00 14.76 ?  101 DM2 A C4    1 
HETATM 341 O  O4    . DM2 D 4 .  ? 22.482 -14.415 -9.118  1.00 17.37 ?  101 DM2 A O4    1 
HETATM 342 C  C5    . DM2 D 4 .  ? 20.282 -15.297 -9.401  1.00 14.81 ?  101 DM2 A C5    1 
HETATM 343 C  C6    . DM2 D 4 .  ? 20.015 -14.167 -10.416 1.00 12.90 ?  101 DM2 A C6    1 
HETATM 344 O  O6    . DM2 D 4 .  ? 20.842 -13.331 -10.686 1.00 14.81 ?  101 DM2 A O6    1 
HETATM 345 C  C7    . DM2 D 4 .  ? 18.643 -14.111 -11.085 1.00 13.26 ?  101 DM2 A C7    1 
HETATM 346 C  C8    . DM2 D 4 .  ? 18.344 -13.102 -12.053 1.00 9.26  ?  101 DM2 A C8    1 
HETATM 347 O  O8    . DM2 D 4 .  ? 19.394 -12.228 -12.262 1.00 12.88 ?  101 DM2 A O8    1 
HETATM 348 C  C9    . DM2 D 4 .  ? 17.130 -13.029 -12.651 1.00 11.09 ?  101 DM2 A C9    1 
HETATM 349 C  C10   . DM2 D 4 .  ? 16.940 -11.909 -13.730 1.00 10.65 ?  101 DM2 A C10   1 
HETATM 350 O  O10   . DM2 D 4 .  ? 17.798 -12.367 -14.826 1.00 12.23 ?  101 DM2 A O10   1 
HETATM 351 C  C11   . DM2 D 4 .  ? 15.597 -11.792 -14.350 1.00 11.54 ?  101 DM2 A C11   1 
HETATM 352 C  C12   . DM2 D 4 .  ? 14.652 -12.928 -14.153 1.00 10.47 ?  101 DM2 A C12   1 
HETATM 353 O  O12   . DM2 D 4 .  ? 15.287 -13.767 -15.156 1.00 14.90 ?  101 DM2 A O12   1 
HETATM 354 C  C13   . DM2 D 4 .  ? 13.296 -12.864 -14.846 1.00 12.86 ?  101 DM2 A C13   1 
HETATM 355 O  O13   . DM2 D 4 .  ? 12.418 -12.508 -14.141 1.00 14.78 ?  101 DM2 A O13   1 
HETATM 356 C  C14   . DM2 D 4 .  ? 13.038 -13.151 -16.316 1.00 15.78 ?  101 DM2 A C14   1 
HETATM 357 O  O14   . DM2 D 4 .  ? 11.761 -12.638 -16.561 1.00 15.45 ?  101 DM2 A O14   1 
HETATM 358 C  C15   . DM2 D 4 .  ? 14.761 -13.925 -13.066 1.00 13.06 ?  101 DM2 A C15   1 
HETATM 359 C  C16   . DM2 D 4 .  ? 16.140 -13.964 -12.349 1.00 12.19 ?  101 DM2 A C16   1 
HETATM 360 C  C17   . DM2 D 4 .  ? 16.409 -14.952 -11.428 1.00 11.36 ?  101 DM2 A C17   1 
HETATM 361 O  O17   . DM2 D 4 .  ? 15.440 -15.892 -11.094 1.00 12.59 ?  101 DM2 A O17   1 
HETATM 362 C  C18   . DM2 D 4 .  ? 17.644 -15.058 -10.771 1.00 11.32 ?  101 DM2 A C18   1 
HETATM 363 C  C19   . DM2 D 4 .  ? 17.901 -16.184 -9.774  1.00 11.70 ?  101 DM2 A C19   1 
HETATM 364 O  O19   . DM2 D 4 .  ? 17.048 -16.985 -9.517  1.00 14.55 ?  101 DM2 A O19   1 
HETATM 365 C  C20   . DM2 D 4 .  ? 19.286 -16.224 -9.102  1.00 14.65 ?  101 DM2 A C20   1 
HETATM 366 C  C21   . DM2 D 4 .  ? 23.731 -14.541 -8.463  1.00 20.68 ?  101 DM2 A C21   1 
HETATM 367 C  "C1'" . DM2 D 4 .  ? 18.603 -11.365 -15.303 1.00 14.14 ?  101 DM2 A "C1'" 1 
HETATM 368 C  "C2'" . DM2 D 4 .  ? 19.757 -11.974 -16.071 1.00 14.19 ?  101 DM2 A "C2'" 1 
HETATM 369 C  "C3'" . DM2 D 4 .  ? 19.297 -12.653 -17.309 1.00 12.59 ?  101 DM2 A "C3'" 1 
HETATM 370 N  "N3'" . DM2 D 4 .  ? 20.510 -13.119 -18.070 1.00 16.34 ?  101 DM2 A "N3'" 1 
HETATM 371 C  "C4'" . DM2 D 4 .  ? 18.472 -11.777 -18.206 1.00 10.65 ?  101 DM2 A "C4'" 1 
HETATM 372 O  "O4'" . DM2 D 4 .  ? 19.263 -10.673 -18.666 1.00 14.38 ?  101 DM2 A "O4'" 1 
HETATM 373 C  "C5'" . DM2 D 4 .  ? 17.297 -11.231 -17.383 1.00 13.43 ?  101 DM2 A "C5'" 1 
HETATM 374 O  "O5'" . DM2 D 4 .  ? 17.789 -10.502 -16.210 1.00 12.37 ?  101 DM2 A "O5'" 1 
HETATM 375 C  "C6'" . DM2 D 4 .  ? 16.461 -10.286 -18.216 1.00 13.24 ?  101 DM2 A "C6'" 1 
HETATM 376 MN MN    . MN  E 5 .  ? 18.397 -6.757  0.719   1.00 27.63 ?  102 MN  A MN    1 
HETATM 377 MN MN    . MN  F 5 .  ? 15.347 -20.834 -10.767 1.00 28.08 ?  103 MN  A MN    1 
HETATM 378 MN MN    . MN  G 5 .  ? 21.514 -10.569 -7.399  1.00 16.93 ?  101 MN  B MN    1 
HETATM 379 CL CL    . CL  H 6 .  ? 18.698 -4.794  -17.166 0.50 16.55 ?  102 CL  B CL    1 
HETATM 380 O  O     . HOH I 7 .  ? 14.276 -7.754  8.783   1.00 44.39 ?  201 HOH A O     1 
HETATM 381 O  O     . HOH I 7 .  ? 10.341 -13.140 -18.484 1.00 35.29 ?  202 HOH A O     1 
HETATM 382 O  O     . HOH I 7 .  ? 12.805 -5.824  10.108  1.00 28.69 ?  203 HOH A O     1 
HETATM 383 O  O     . HOH I 7 .  ? 12.860 -10.637 4.786   1.00 33.60 ?  204 HOH A O     1 
HETATM 384 O  O     . HOH I 7 .  ? 16.049 -1.598  8.112   1.00 31.82 ?  205 HOH A O     1 
HETATM 385 O  O     . HOH I 7 .  ? 17.711 -5.964  -1.351  1.00 25.21 ?  206 HOH A O     1 
HETATM 386 O  O     . HOH I 7 .  ? 8.710  -19.634 -19.050 1.00 37.31 ?  207 HOH A O     1 
HETATM 387 O  O     . HOH I 7 .  ? 17.416 -5.167  1.620   1.00 16.53 ?  208 HOH A O     1 
HETATM 388 O  O     . HOH I 7 .  ? 20.293 -8.526  -17.431 1.00 22.23 ?  209 HOH A O     1 
HETATM 389 O  O     . HOH I 7 .  ? 16.242 -19.519 -9.132  1.00 31.23 ?  210 HOH A O     1 
HETATM 390 O  O     . HOH I 7 .  ? 16.367 -8.451  -15.208 1.00 15.16 ?  211 HOH A O     1 
HETATM 391 O  O     . HOH I 7 .  ? 14.755 -21.979 -12.619 1.00 38.20 ?  212 HOH A O     1 
HETATM 392 O  O     . HOH I 7 .  ? 17.527 -21.511 -11.257 1.00 25.44 ?  213 HOH A O     1 
HETATM 393 O  O     . HOH I 7 .  ? 10.972 -20.606 -17.725 1.00 40.07 ?  214 HOH A O     1 
HETATM 394 O  O     . HOH I 7 .  ? 6.029  -13.143 -3.323  1.00 35.11 ?  215 HOH A O     1 
HETATM 395 O  O     . HOH I 7 .  ? 16.824 -7.870  0.648   1.00 22.65 ?  216 HOH A O     1 
HETATM 396 O  O     . HOH I 7 .  ? 19.522 -14.387 -20.435 1.00 16.84 ?  217 HOH A O     1 
HETATM 397 O  O     . HOH I 7 .  ? 16.609 -22.015 -14.475 1.00 23.61 ?  218 HOH A O     1 
HETATM 398 O  O     . HOH I 7 .  ? 22.799 -11.559 -8.796  1.00 24.86 ?  219 HOH A O     1 
HETATM 399 O  O     . HOH I 7 .  ? 17.431 -16.873 -5.047  1.00 19.66 ?  220 HOH A O     1 
HETATM 400 O  O     . HOH I 7 .  ? 17.909 -2.647  0.145   1.00 20.65 ?  221 HOH A O     1 
HETATM 401 O  O     . HOH I 7 .  ? 13.254 -20.321 -10.543 1.00 39.65 ?  222 HOH A O     1 
HETATM 402 O  O     . HOH I 7 .  ? 19.195 -12.710 -3.457  1.00 29.35 ?  223 HOH A O     1 
HETATM 403 O  O     . HOH I 7 .  ? 12.322 -13.413 1.501   1.00 29.46 ?  224 HOH A O     1 
HETATM 404 O  O     . HOH I 7 .  ? 17.550 -5.013  4.666   1.00 36.28 ?  225 HOH A O     1 
HETATM 405 O  O     . HOH I 7 .  ? 8.239  -16.431 1.264   1.00 38.44 ?  226 HOH A O     1 
HETATM 406 O  O     . HOH I 7 .  ? 10.716 -16.770 1.089   1.00 37.45 ?  227 HOH A O     1 
HETATM 407 O  O     . HOH I 7 .  ? 16.762 -19.242 -6.566  1.00 33.94 ?  228 HOH A O     1 
HETATM 408 O  O     . HOH I 7 .  ? 15.767 -9.166  2.666   1.00 39.34 ?  229 HOH A O     1 
HETATM 409 O  O     . HOH I 7 .  ? 13.971 -10.551 2.009   1.00 29.36 ?  230 HOH A O     1 
HETATM 410 O  O     . HOH I 7 .  ? 12.911 -8.370  10.522  1.00 31.38 ?  231 HOH A O     1 
HETATM 411 O  O     . HOH I 7 .  ? 15.164 -9.303  6.699   1.00 41.07 ?  232 HOH A O     1 
HETATM 412 O  O     . HOH I 7 .  ? 12.745 -13.621 4.733   1.00 51.04 ?  233 HOH A O     1 
HETATM 413 O  O     . HOH I 7 .  ? 15.575 -7.733  4.359   1.00 31.60 ?  234 HOH A O     1 
HETATM 414 O  O     . HOH I 7 .  ? 15.438 -22.406 -9.203  1.00 26.35 ?  235 HOH A O     1 
HETATM 415 O  O     . HOH I 7 .  ? 13.878 -22.839 -15.630 1.00 32.51 ?  236 HOH A O     1 
HETATM 416 O  O     . HOH I 7 .  ? 15.510 -17.199 -2.900  1.00 25.67 ?  237 HOH A O     1 
HETATM 417 O  O     . HOH I 7 .  ? 14.216 -16.410 -1.184  1.00 43.37 ?  238 HOH A O     1 
HETATM 418 O  O     . HOH I 7 .  ? 15.896 -24.098 -11.457 1.00 42.63 ?  239 HOH A O     1 
HETATM 419 O  O     . HOH I 7 .  ? 19.565 -8.103  -0.537  1.00 31.39 ?  240 HOH A O     1 
HETATM 420 O  O     . HOH I 7 .  ? 20.096 -5.547  1.165   1.00 32.48 ?  241 HOH A O     1 
HETATM 421 O  O     . HOH I 7 .  ? 19.168 -7.788  2.572   1.00 33.31 ?  242 HOH A O     1 
HETATM 422 O  O     . HOH I 7 .  ? 19.914 -4.070  3.282   1.00 36.32 ?  243 HOH A O     1 
HETATM 423 O  O     . HOH I 7 .  ? 16.050 -19.829 -2.385  1.00 31.24 ?  244 HOH A O     1 
HETATM 424 O  O     . HOH J 7 .  ? 18.655 -3.593  -10.404 1.00 28.30 ?  201 HOH B O     1 
HETATM 425 O  O     . HOH J 7 .  ? 20.672 -12.402 -6.936  1.00 16.06 ?  202 HOH B O     1 
HETATM 426 O  O     . HOH J 7 .  ? 28.906 -22.068 -15.546 1.00 34.48 ?  203 HOH B O     1 
HETATM 427 O  O     . HOH J 7 .  ? 16.962 0.956   -2.308  1.00 16.11 ?  204 HOH B O     1 
HETATM 428 O  O     . HOH J 7 .  ? 5.253  2.633   -3.694  1.00 27.68 ?  205 HOH B O     1 
HETATM 429 O  O     . HOH J 7 .  ? 16.199 -0.015  -12.650 1.00 35.25 ?  206 HOH B O     1 
HETATM 430 O  O     . HOH J 7 .  ? 30.048 -16.034 -11.837 1.00 38.20 ?  207 HOH B O     1 
HETATM 431 O  O     . HOH J 7 .  ? 21.434 -21.832 -13.443 1.00 22.25 ?  208 HOH B O     1 
HETATM 432 O  O     . HOH J 7 .  ? 15.329 -8.650  -12.800 1.00 15.93 ?  209 HOH B O     1 
HETATM 433 O  O     . HOH J 7 .  ? 8.269  0.000   0.000   0.50 14.19 ?  210 HOH B O     1 
HETATM 434 O  O     . HOH J 7 .  ? 6.699  6.895   -4.270  1.00 14.95 ?  211 HOH B O     1 
HETATM 435 O  O     . HOH J 7 .  ? 22.793 -13.915 -16.786 1.00 18.45 ?  212 HOH B O     1 
HETATM 436 O  O     . HOH J 7 .  ? 8.043  1.141   -10.531 1.00 15.65 ?  213 HOH B O     1 
HETATM 437 O  O     . HOH J 7 .  ? 19.865 -6.644  -7.795  1.00 18.87 ?  214 HOH B O     1 
HETATM 438 O  O     . HOH J 7 .  ? 9.237  -1.294  -10.878 1.00 12.40 ?  215 HOH B O     1 
HETATM 439 O  O     . HOH J 7 .  ? 24.316 -20.795 -11.979 1.00 21.30 ?  216 HOH B O     1 
HETATM 440 O  O     . HOH J 7 .  ? 19.740 -9.822  -6.002  1.00 21.46 ?  217 HOH B O     1 
HETATM 441 O  O     . HOH J 7 .  ? 19.230 -2.595  -3.936  1.00 27.73 ?  218 HOH B O     1 
HETATM 442 O  O     . HOH J 7 .  ? 30.587 -13.520 -17.166 0.50 38.49 ?  219 HOH B O     1 
HETATM 443 O  O     . HOH J 7 .  ? 21.912 -8.424  -7.598  1.00 19.35 ?  220 HOH B O     1 
HETATM 444 O  O     . HOH J 7 .  ? 20.875 -5.133  -16.777 1.00 28.94 ?  221 HOH B O     1 
HETATM 445 O  O     . HOH J 7 .  ? 17.720 -6.731  -16.788 1.00 23.89 ?  222 HOH B O     1 
HETATM 446 O  O     . HOH J 7 .  ? 18.935 -1.028  -1.765  1.00 27.31 ?  223 HOH B O     1 
HETATM 447 O  O     . HOH J 7 .  ? 22.584 -4.641  -14.780 1.00 35.19 ?  224 HOH B O     1 
HETATM 448 O  O     . HOH J 7 .  ? 18.645 -23.157 -13.242 1.00 22.43 ?  225 HOH B O     1 
HETATM 449 O  O     . HOH J 7 .  ? 4.705  2.568   -7.487  1.00 38.50 ?  226 HOH B O     1 
HETATM 450 O  O     . HOH J 7 .  ? 5.638  1.153   -9.199  1.00 26.50 ?  227 HOH B O     1 
HETATM 451 O  O     . HOH J 7 .  ? 22.777 -10.680 -5.722  1.00 16.43 ?  228 HOH B O     1 
HETATM 452 O  O     . HOH J 7 .  ? 17.122 -1.734  -9.189  1.00 38.23 ?  229 HOH B O     1 
HETATM 453 O  O     . HOH J 7 .  ? 19.435 -1.389  -6.600  1.00 29.39 ?  230 HOH B O     1 
HETATM 454 O  O     . HOH J 7 .  ? 18.275 2.227   -4.490  1.00 34.83 ?  231 HOH B O     1 
HETATM 455 O  O     . HOH J 7 .  ? 20.749 -5.812  -5.110  1.00 32.34 ?  232 HOH B O     1 
HETATM 456 O  O     . HOH J 7 .  ? 22.171 -9.483  -3.502  1.00 31.66 ?  233 HOH B O     1 
HETATM 457 O  O     . HOH K 7 .  ? 6.272  -3.660  -10.499 1.00 25.00 ?  101 HOH G O     1 
HETATM 458 O  O     . HOH K 7 .  ? 4.219  -10.133 -5.914  1.00 36.98 ?  102 HOH G O     1 
HETATM 459 O  O     . HOH K 7 .  ? 5.043  -13.436 -8.766  1.00 38.59 ?  103 HOH G O     1 
HETATM 460 O  O     . HOH K 7 .  ? 7.104  -9.812  -14.162 1.00 19.88 ?  104 HOH G O     1 
HETATM 461 O  O     . HOH K 7 .  ? 3.123  -4.486  -2.246  1.00 25.31 ?  105 HOH G O     1 
HETATM 462 O  O     . HOH K 7 .  ? 3.208  -9.293  -2.878  1.00 37.11 ?  106 HOH G O     1 
HETATM 463 O  O     . HOH K 7 .  ? 4.188  0.790   -5.581  1.00 38.95 ?  107 HOH G O     1 
HETATM 464 O  O     . HOH K 7 .  ? 4.913  -0.992  -7.992  1.00 31.07 ?  108 HOH G O     1 
HETATM 465 O  O     . HOH K 7 .  ? 13.221 -13.304 -0.808  1.00 33.48 ?  109 HOH G O     1 
HETATM 466 O  O     . HOH K 7 .  ? 15.492 -14.622 -0.935  1.00 39.59 ?  110 HOH G O     1 
HETATM 467 O  O     . HOH K 7 .  ? 5.964  -1.616  0.847   1.00 22.60 ?  111 HOH G O     1 
HETATM 468 O  O     . HOH K 7 .  ? 4.273  -12.561 -4.626  1.00 41.49 ?  112 HOH G O     1 
HETATM 469 O  O     . HOH K 7 .  ? 3.459  0.000   0.000   0.50 26.14 ?  113 HOH G O     1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1   P  P     . DA  A 1  ? 0.4162 0.2630 0.2902 0.0396  -0.0118 -0.0068 1   DA  A P     
2   O  OP1   . DA  A 1  ? 0.6477 0.4861 0.5121 0.0411  -0.0094 -0.0054 1   DA  A OP1   
3   O  OP2   . DA  A 1  ? 0.4587 0.3131 0.3401 0.0427  -0.0166 -0.0053 1   DA  A OP2   
4   O  "O5'" . DA  A 1  ? 0.3546 0.2037 0.2328 0.0351  -0.0071 -0.0094 1   DA  A "O5'" 
5   C  "C5'" . DA  A 1  ? 0.3302 0.1764 0.2062 0.0347  -0.0028 -0.0092 1   DA  A "C5'" 
6   C  "C4'" . DA  A 1  ? 0.3041 0.1521 0.1829 0.0296  0.0021  -0.0116 1   DA  A "C4'" 
7   O  "O4'" . DA  A 1  ? 0.2540 0.1104 0.1425 0.0279  0.0010  -0.0132 1   DA  A "O4'" 
8   C  "C3'" . DA  A 1  ? 0.2737 0.1181 0.1495 0.0290  0.0066  -0.0113 1   DA  A "C3'" 
9   O  "O3'" . DA  A 1  ? 0.2883 0.1335 0.1651 0.0243  0.0109  -0.0130 1   DA  A "O3'" 
10  C  "C2'" . DA  A 1  ? 0.2537 0.1036 0.1366 0.0304  0.0054  -0.0114 1   DA  A "C2'" 
11  C  "C1'" . DA  A 1  ? 0.2497 0.1075 0.1409 0.0282  0.0031  -0.0132 1   DA  A "C1'" 
12  N  N9    . DA  A 1  ? 0.2105 0.0740 0.1080 0.0311  -0.0015 -0.0126 1   DA  A N9    
13  C  C8    . DA  A 1  ? 0.2481 0.1110 0.1447 0.0360  -0.0051 -0.0101 1   DA  A C8    
14  N  N7    . DA  A 1  ? 0.2307 0.1036 0.1364 0.0370  -0.0093 -0.0096 1   DA  A N7    
15  C  C5    . DA  A 1  ? 0.1818 0.0613 0.0944 0.0325  -0.0083 -0.0119 1   DA  A C5    
16  C  C6    . DA  A 1  ? 0.1927 0.0845 0.1166 0.0307  -0.0113 -0.0124 1   DA  A C6    
17  N  N6    . DA  A 1  ? 0.2098 0.1101 0.1407 0.0334  -0.0160 -0.0105 1   DA  A N6    
18  N  N1    . DA  A 1  ? 0.1945 0.0900 0.1228 0.0260  -0.0092 -0.0149 1   DA  A N1    
19  C  C2    . DA  A 1  ? 0.1869 0.0741 0.1084 0.0233  -0.0045 -0.0168 1   DA  A C2    
20  N  N3    . DA  A 1  ? 0.2014 0.0770 0.1122 0.0246  -0.0014 -0.0165 1   DA  A N3    
21  C  C4    . DA  A 1  ? 0.1913 0.0635 0.0981 0.0292  -0.0035 -0.0140 1   DA  A C4    
22  P  P     . DG  A 2  ? 0.3051 0.1456 0.1776 0.0229  0.0160  -0.0127 2   DG  A P     
23  O  OP1   . DG  A 2  ? 0.3268 0.1674 0.1988 0.0186  0.0193  -0.0139 2   DG  A OP1   
24  O  OP2   . DG  A 2  ? 0.2986 0.1317 0.1632 0.0270  0.0154  -0.0105 2   DG  A OP2   
25  O  "O5'" . DG  A 2  ? 0.2752 0.1213 0.1550 0.0222  0.0172  -0.0136 2   DG  A "O5'" 
26  C  "C5'" . DG  A 2  ? 0.2615 0.1149 0.1491 0.0182  0.0185  -0.0157 2   DG  A "C5'" 
27  C  "C4'" . DG  A 2  ? 0.2686 0.1268 0.1624 0.0186  0.0186  -0.0163 2   DG  A "C4'" 
28  O  "O4'" . DG  A 2  ? 0.2518 0.1134 0.1493 0.0216  0.0141  -0.0160 2   DG  A "O4'" 
29  C  "C3'" . DG  A 2  ? 0.2722 0.1255 0.1618 0.0208  0.0207  -0.0151 2   DG  A "C3'" 
30  O  "O3'" . DG  A 2  ? 0.3231 0.1784 0.2152 0.0174  0.0247  -0.0163 2   DG  A "O3'" 
31  C  "C2'" . DG  A 2  ? 0.2781 0.1345 0.1715 0.0246  0.0174  -0.0145 2   DG  A "C2'" 
32  C  "C1'" . DG  A 2  ? 0.2410 0.1045 0.1415 0.0233  0.0143  -0.0158 2   DG  A "C1'" 
33  N  N9    . DG  A 2  ? 0.2144 0.0801 0.1172 0.0275  0.0093  -0.0146 2   DG  A N9    
34  C  C8    . DG  A 2  ? 0.2078 0.0694 0.1059 0.0323  0.0064  -0.0122 2   DG  A C8    
35  N  N7    . DG  A 2  ? 0.2188 0.0851 0.1216 0.0353  0.0015  -0.0113 2   DG  A N7    
36  C  C5    . DG  A 2  ? 0.1940 0.0685 0.1052 0.0321  0.0011  -0.0133 2   DG  A C5    
37  C  C6    . DG  A 2  ? 0.1751 0.0619 0.0967 0.0321  -0.0035 -0.0127 2   DG  A C6    
38  O  O6    . DG  A 2  ? 0.2035 0.0952 0.1284 0.0354  -0.0083 -0.0105 2   DG  A O6    
39  N  N1    . DG  A 2  ? 0.1661 0.0599 0.0949 0.0275  -0.0022 -0.0150 2   DG  A N1    
40  C  C2    . DG  A 2  ? 0.1679 0.0575 0.0942 0.0235  0.0029  -0.0175 2   DG  A C2    
41  N  N2    . DG  A 2  ? 0.1749 0.0727 0.1093 0.0194  0.0033  -0.0193 2   DG  A N2    
42  N  N3    . DG  A 2  ? 0.1829 0.0623 0.1003 0.0232  0.0072  -0.0179 2   DG  A N3    
43  C  C4    . DG  A 2  ? 0.1987 0.0718 0.1094 0.0274  0.0060  -0.0156 2   DG  A C4    
44  P  P     . DC  A 3  ? 0.3325 0.1819 0.2193 0.0180  0.0283  -0.0153 3   DC  A P     
45  O  OP1   . DC  A 3  ? 0.3709 0.2230 0.2603 0.0135  0.0320  -0.0166 3   DC  A OP1   
46  O  OP2   . DC  A 3  ? 0.3986 0.2395 0.2763 0.0211  0.0277  -0.0134 3   DC  A OP2   
47  O  "O5'" . DC  A 3  ? 0.3469 0.1991 0.2377 0.0206  0.0272  -0.0153 3   DC  A "O5'" 
48  C  "C5'" . DC  A 3  ? 0.3494 0.1985 0.2381 0.0213  0.0300  -0.0149 3   DC  A "C5'" 
49  C  "C4'" . DC  A 3  ? 0.3211 0.1767 0.2173 0.0209  0.0303  -0.0162 3   DC  A "C4'" 
50  O  "O4'" . DC  A 3  ? 0.3112 0.1703 0.2110 0.0240  0.0262  -0.0158 3   DC  A "O4'" 
51  C  "C3'" . DC  A 3  ? 0.2958 0.1486 0.1903 0.0221  0.0327  -0.0158 3   DC  A "C3'" 
52  O  "O3'" . DC  A 3  ? 0.3827 0.2386 0.2806 0.0180  0.0361  -0.0172 3   DC  A "O3'" 
53  C  "C2'" . DC  A 3  ? 0.3238 0.1801 0.2226 0.0256  0.0300  -0.0156 3   DC  A "C2'" 
54  C  "C1'" . DC  A 3  ? 0.2505 0.1127 0.1545 0.0252  0.0267  -0.0163 3   DC  A "C1'" 
55  N  N1    . DC  A 3  ? 0.2754 0.1390 0.1807 0.0298  0.0223  -0.0151 3   DC  A N1    
56  C  C2    . DC  A 3  ? 0.2205 0.0917 0.1334 0.0298  0.0198  -0.0161 3   DC  A C2    
57  O  O2    . DC  A 3  ? 0.2361 0.1127 0.1544 0.0258  0.0216  -0.0182 3   DC  A O2    
58  N  N3    . DC  A 3  ? 0.2097 0.0827 0.1241 0.0343  0.0153  -0.0146 3   DC  A N3    
59  C  C4    . DC  A 3  ? 0.2200 0.0879 0.1290 0.0383  0.0134  -0.0122 3   DC  A C4    
60  N  N4    . DC  A 3  ? 0.2371 0.1084 0.1487 0.0425  0.0086  -0.0104 3   DC  A N4    
61  C  C5    . DC  A 3  ? 0.2665 0.1264 0.1675 0.0382  0.0161  -0.0113 3   DC  A C5    
62  C  C6    . DC  A 3  ? 0.2375 0.0954 0.1369 0.0339  0.0205  -0.0128 3   DC  A C6    
63  P  P     . DC  A 4  ? 0.3755 0.2287 0.2718 0.0180  0.0394  -0.0172 4   DC  A P     
64  O  OP1   . DC  A 4  ? 0.4542 0.3072 0.3499 0.0137  0.0427  -0.0178 4   DC  A OP1   
65  O  OP2   . DC  A 4  ? 0.4128 0.2589 0.3028 0.0223  0.0388  -0.0154 4   DC  A OP2   
66  O  "O5'" . DC  A 4  ? 0.3461 0.2073 0.2510 0.0177  0.0389  -0.0187 4   DC  A "O5'" 
67  C  "C5'" . DC  A 4  ? 0.3132 0.1821 0.2250 0.0141  0.0389  -0.0204 4   DC  A "C5'" 
68  C  "C4'" . DC  A 4  ? 0.2595 0.1354 0.1784 0.0153  0.0368  -0.0214 4   DC  A "C4'" 
69  O  "O4'" . DC  A 4  ? 0.2708 0.1452 0.1884 0.0195  0.0331  -0.0203 4   DC  A "O4'" 
70  C  "C3'" . DC  A 4  ? 0.2649 0.1421 0.1861 0.0162  0.0385  -0.0220 4   DC  A "C3'" 
71  O  "O3'" . DC  A 4  ? 0.2834 0.1682 0.2115 0.0125  0.0397  -0.0237 4   DC  A "O3'" 
72  C  "C2'" . DC  A 4  ? 0.2984 0.1762 0.2206 0.0210  0.0353  -0.0213 4   DC  A "C2'" 
73  C  "C1'" . DC  A 4  ? 0.2396 0.1182 0.1619 0.0219  0.0319  -0.0207 4   DC  A "C1'" 
74  N  N1    . DC  A 4  ? 0.2443 0.1192 0.1631 0.0272  0.0284  -0.0187 4   DC  A N1    
75  C  C2    . DC  A 4  ? 0.2273 0.1071 0.1505 0.0296  0.0244  -0.0185 4   DC  A C2    
76  O  O2    . DC  A 4  ? 0.2345 0.1213 0.1643 0.0272  0.0241  -0.0202 4   DC  A O2    
77  N  N3    . DC  A 4  ? 0.2326 0.1098 0.1531 0.0346  0.0208  -0.0163 4   DC  A N3    
78  C  C4    . DC  A 4  ? 0.2208 0.0906 0.1342 0.0368  0.0213  -0.0145 4   DC  A C4    
79  N  N4    . DC  A 4  ? 0.2387 0.1071 0.1501 0.0416  0.0175  -0.0122 4   DC  A N4    
80  C  C5    . DC  A 4  ? 0.2270 0.0913 0.1355 0.0344  0.0256  -0.0149 4   DC  A C5    
81  C  C6    . DC  A 4  ? 0.2437 0.1109 0.1552 0.0297  0.0289  -0.0169 4   DC  A C6    
82  P  P     . DG  A 5  ? 0.3157 0.2028 0.2466 0.0111  0.0426  -0.0247 5   DG  A P     
83  O  OP1   . DG  A 5  ? 0.3371 0.2303 0.2729 0.0062  0.0441  -0.0258 5   DG  A OP1   
84  O  OP2   . DG  A 5  ? 0.3445 0.2239 0.2689 0.0128  0.0446  -0.0236 5   DG  A OP2   
85  O  "O5'" . DG  A 5  ? 0.2916 0.1838 0.2276 0.0139  0.0407  -0.0254 5   DG  A "O5'" 
86  C  "C5'" . DG  A 5  ? 0.2749 0.1743 0.2171 0.0134  0.0384  -0.0264 5   DG  A "C5'" 
87  C  "C4'" . DG  A 5  ? 0.2197 0.1238 0.1666 0.0161  0.0373  -0.0270 5   DG  A "C4'" 
88  O  "O4'" . DG  A 5  ? 0.2593 0.1582 0.2020 0.0215  0.0350  -0.0253 5   DG  A "O4'" 
89  C  "C3'" . DG  A 5  ? 0.2467 0.1523 0.1953 0.0152  0.0401  -0.0279 5   DG  A "C3'" 
90  O  "O3'" . DG  A 5  ? 0.2889 0.2030 0.2450 0.0153  0.0394  -0.0293 5   DG  A "O3'" 
91  C  "C2'" . DG  A 5  ? 0.2454 0.1435 0.1880 0.0196  0.0400  -0.0264 5   DG  A "C2'" 
92  C  "C1'" . DG  A 5  ? 0.2362 0.1346 0.1790 0.0237  0.0362  -0.0253 5   DG  A "C1'" 
93  N  N9    . DG  A 5  ? 0.2564 0.1474 0.1929 0.0283  0.0349  -0.0232 5   DG  A N9    
94  C  C8    . DG  A 5  ? 0.2640 0.1468 0.1934 0.0286  0.0367  -0.0221 5   DG  A C8    
95  N  N7    . DG  A 5  ? 0.2590 0.1368 0.1841 0.0332  0.0348  -0.0201 5   DG  A N7    
96  C  C5    . DG  A 5  ? 0.2158 0.0992 0.1456 0.0363  0.0313  -0.0198 5   DG  A C5    
97  C  C6    . DG  A 5  ? 0.2374 0.1199 0.1662 0.0417  0.0276  -0.0177 5   DG  A C6    
98  O  O6    . DG  A 5  ? 0.2556 0.1319 0.1788 0.0448  0.0268  -0.0157 5   DG  A O6    
99  N  N1    . DG  A 5  ? 0.2119 0.1023 0.1472 0.0436  0.0243  -0.0177 5   DG  A N1    
100 C  C2    . DG  A 5  ? 0.1811 0.0808 0.1240 0.0397  0.0244  -0.0195 5   DG  A C2    
101 N  N2    . DG  A 5  ? 0.1872 0.0988 0.1386 0.0404  0.0198  -0.0183 5   DG  A N2    
102 N  N3    . DG  A 5  ? 0.1887 0.0872 0.1315 0.0352  0.0286  -0.0220 5   DG  A N3    
103 C  C4    . DG  A 5  ? 0.2042 0.0956 0.1410 0.0334  0.0314  -0.0218 5   DG  A C4    
104 P  P     . DT  A 6  ? 0.2960 0.2163 0.2573 0.0122  0.0420  -0.0308 6   DT  A P     
105 O  OP1   . DT  A 6  ? 0.3545 0.2754 0.3159 0.0072  0.0442  -0.0311 6   DT  A OP1   
106 O  OP2   . DT  A 6  ? 0.3165 0.2332 0.2753 0.0156  0.0429  -0.0305 6   DT  A OP2   
107 O  "O5'" . DT  A 6  ? 0.3249 0.2560 0.2953 0.0113  0.0405  -0.0322 6   DT  A "O5'" 
108 C  "C5'" . DT  A 6  ? 0.2665 0.2019 0.2409 0.0148  0.0394  -0.0326 6   DT  A "C5'" 
109 C  "C4'" . DT  A 6  ? 0.2401 0.1790 0.2166 0.0179  0.0342  -0.0304 6   DT  A "C4'" 
110 O  "O4'" . DT  A 6  ? 0.2277 0.1559 0.1955 0.0223  0.0334  -0.0286 6   DT  A "O4'" 
111 C  "C3'" . DT  A 6  ? 0.2569 0.2074 0.2418 0.0201  0.0303  -0.0291 6   DT  A "C3'" 
112 O  "O3'" . DT  A 6  ? 0.2480 0.2056 0.2376 0.0207  0.0249  -0.0271 6   DT  A "O3'" 
113 C  "C2'" . DT  A 6  ? 0.2025 0.1460 0.1817 0.0252  0.0303  -0.0279 6   DT  A "C2'" 
114 C  "C1'" . DT  A 6  ? 0.1827 0.1152 0.1532 0.0268  0.0299  -0.0266 6   DT  A "C1'" 
115 N  N1    . DT  A 6  ? 0.1906 0.1113 0.1521 0.0308  0.0315  -0.0258 6   DT  A N1    
116 C  C2    . DT  A 6  ? 0.1755 0.0962 0.1362 0.0358  0.0275  -0.0233 6   DT  A C2    
117 O  O2    . DT  A 6  ? 0.2336 0.1637 0.2007 0.0370  0.0228  -0.0217 6   DT  A O2    
118 N  N3    . DT  A 6  ? 0.2038 0.1132 0.1561 0.0392  0.0292  -0.0226 6   DT  A N3    
119 C  C4    . DT  A 6  ? 0.2066 0.1075 0.1528 0.0372  0.0335  -0.0236 6   DT  A C4    
120 O  O4    . DT  A 6  ? 0.2466 0.1405 0.1871 0.0395  0.0337  -0.0221 6   DT  A O4    
121 C  C5    . DT  A 6  ? 0.1968 0.1005 0.1455 0.0314  0.0366  -0.0258 6   DT  A C5    
122 C  C7    . DT  A 6  ? 0.2708 0.1688 0.2149 0.0283  0.0400  -0.0261 6   DT  A C7    
123 C  C6    . DT  A 6  ? 0.2153 0.1270 0.1704 0.0290  0.0361  -0.0271 6   DT  A C6    
124 P  P     . DA  B 1  ? 0.4238 0.3502 0.3842 0.0791  -0.0012 -0.0024 2   DA  B P     
125 O  OP1   . DA  B 1  ? 0.4173 0.3410 0.3771 0.0800  0.0025  -0.0042 2   DA  B OP1   
126 O  OP2   . DA  B 1  ? 0.5020 0.4411 0.4707 0.0790  -0.0061 -0.0009 2   DA  B OP2   
127 O  "O5'" . DA  B 1  ? 0.3938 0.3164 0.3519 0.0760  0.0017  -0.0045 2   DA  B "O5'" 
128 C  "C5'" . DA  B 1  ? 0.3882 0.3077 0.3428 0.0749  -0.0001 -0.0033 2   DA  B "C5'" 
129 C  "C4'" . DA  B 1  ? 0.3521 0.2796 0.3128 0.0728  -0.0017 -0.0041 2   DA  B "C4'" 
130 O  "O4'" . DA  B 1  ? 0.3428 0.2679 0.3029 0.0690  0.0032  -0.0072 2   DA  B "O4'" 
131 C  "C3'" . DA  B 1  ? 0.3201 0.2471 0.2791 0.0719  -0.0049 -0.0025 2   DA  B "C3'" 
132 O  "O3'" . DA  B 1  ? 0.3345 0.2734 0.3022 0.0709  -0.0088 -0.0021 2   DA  B "O3'" 
133 C  "C2'" . DA  B 1  ? 0.3263 0.2437 0.2789 0.0693  -0.0005 -0.0046 2   DA  B "C2'" 
134 C  "C1'" . DA  B 1  ? 0.2873 0.2088 0.2443 0.0660  0.0036  -0.0075 2   DA  B "C1'" 
135 N  N9    . DA  B 1  ? 0.2681 0.1791 0.2180 0.0637  0.0093  -0.0096 2   DA  B N9    
136 C  C8    . DA  B 1  ? 0.2845 0.1842 0.2262 0.0653  0.0119  -0.0093 2   DA  B C8    
137 N  N7    . DA  B 1  ? 0.2540 0.1473 0.1915 0.0617  0.0167  -0.0113 2   DA  B N7    
138 C  C5    . DA  B 1  ? 0.2314 0.1308 0.1740 0.0583  0.0177  -0.0134 2   DA  B C5    
139 C  C6    . DA  B 1  ? 0.2099 0.1073 0.1517 0.0534  0.0221  -0.0160 2   DA  B C6    
140 N  N6    . DA  B 1  ? 0.2552 0.1446 0.1911 0.0509  0.0261  -0.0168 2   DA  B N6    
141 N  N1    . DA  B 1  ? 0.1889 0.0966 0.1384 0.0495  0.0213  -0.0172 2   DA  B N1    
142 C  C2    . DA  B 1  ? 0.1982 0.1174 0.1556 0.0503  0.0164  -0.0158 2   DA  B C2    
143 N  N3    . DA  B 1  ? 0.2291 0.1513 0.1880 0.0547  0.0120  -0.0133 2   DA  B N3    
144 C  C4    . DA  B 1  ? 0.2520 0.1637 0.2031 0.0586  0.0129  -0.0122 2   DA  B C4    
145 P  P     . DC  B 2  ? 0.3297 0.2723 0.2985 0.0699  -0.0135 0.0002  3   DC  B P     
146 O  OP1   . DC  B 2  ? 0.3753 0.3323 0.3546 0.0687  -0.0174 0.0011  3   DC  B OP1   
147 O  OP2   . DC  B 2  ? 0.3614 0.2956 0.3225 0.0713  -0.0139 0.0020  3   DC  B OP2   
148 O  "O5'" . DC  B 2  ? 0.2872 0.2258 0.2538 0.0675  -0.0118 -0.0016 3   DC  B "O5'" 
149 C  "C5'" . DC  B 2  ? 0.3090 0.2568 0.2833 0.0630  -0.0106 -0.0037 3   DC  B "C5'" 
150 C  "C4'" . DC  B 2  ? 0.2384 0.1807 0.2089 0.0587  -0.0073 -0.0056 3   DC  B "C4'" 
151 O  "O4'" . DC  B 2  ? 0.1986 0.1302 0.1617 0.0581  -0.0016 -0.0073 3   DC  B "O4'" 
152 C  "C3'" . DC  B 2  ? 0.2493 0.1857 0.2145 0.0593  -0.0096 -0.0041 3   DC  B "C3'" 
153 O  "O3'" . DC  B 2  ? 0.2716 0.2124 0.2403 0.0549  -0.0097 -0.0053 3   DC  B "O3'" 
154 C  "C2'" . DC  B 2  ? 0.2753 0.1971 0.2294 0.0602  -0.0052 -0.0047 3   DC  B "C2'" 
155 C  "C1'" . DC  B 2  ? 0.2095 0.1317 0.1652 0.0569  -0.0001 -0.0075 3   DC  B "C1'" 
156 N  N1    . DC  B 2  ? 0.2296 0.1392 0.1763 0.0574  0.0048  -0.0085 3   DC  B N1    
157 C  C2    . DC  B 2  ? 0.1998 0.1068 0.1455 0.0531  0.0099  -0.0113 3   DC  B C2    
158 O  O2    . DC  B 2  ? 0.2030 0.1187 0.1557 0.0492  0.0101  -0.0128 3   DC  B O2    
159 N  N3    . DC  B 2  ? 0.1915 0.0866 0.1287 0.0533  0.0145  -0.0122 3   DC  B N3    
160 C  C4    . DC  B 2  ? 0.2213 0.1087 0.1520 0.0569  0.0138  -0.0103 3   DC  B C4    
161 N  N4    . DC  B 2  ? 0.2497 0.1291 0.1741 0.0554  0.0178  -0.0108 3   DC  B N4    
162 C  C5    . DC  B 2  ? 0.2611 0.1514 0.1928 0.0611  0.0087  -0.0074 3   DC  B C5    
163 C  C6    . DC  B 2  ? 0.2565 0.1569 0.1956 0.0617  0.0043  -0.0067 3   DC  B C6    
164 P  P     . DG  B 3  ? 0.3272 0.2770 0.3022 0.0549  -0.0156 -0.0037 4   DG  B P     
165 O  OP1   . DG  B 3  ? 0.3621 0.3243 0.3466 0.0559  -0.0190 -0.0027 4   DG  B OP1   
166 O  OP2   . DG  B 3  ? 0.3952 0.3371 0.3630 0.0580  -0.0179 -0.0017 4   DG  B OP2   
167 O  "O5'" . DG  B 3  ? 0.2704 0.2232 0.2485 0.0492  -0.0137 -0.0059 4   DG  B "O5'" 
168 C  "C5'" . DG  B 3  ? 0.2281 0.1876 0.2124 0.0455  -0.0110 -0.0080 4   DG  B "C5'" 
169 C  "C4'" . DG  B 3  ? 0.2146 0.1739 0.1996 0.0404  -0.0086 -0.0102 4   DG  B "C4'" 
170 O  "O4'" . DG  B 3  ? 0.2289 0.1752 0.2039 0.0397  -0.0040 -0.0114 4   DG  B "O4'" 
171 C  "C3'" . DG  B 3  ? 0.2058 0.1693 0.1938 0.0393  -0.0126 -0.0093 4   DG  B "C3'" 
172 O  "O3'" . DG  B 3  ? 0.2039 0.1721 0.1967 0.0341  -0.0107 -0.0115 4   DG  B "O3'" 
173 C  "C2'" . DG  B 3  ? 0.2323 0.1831 0.2097 0.0410  -0.0118 -0.0087 4   DG  B "C2'" 
174 C  "C1'" . DG  B 3  ? 0.1828 0.1246 0.1538 0.0392  -0.0054 -0.0109 4   DG  B "C1'" 
175 N  N9    . DG  B 3  ? 0.2045 0.1330 0.1644 0.0420  -0.0034 -0.0103 4   DG  B N9    
176 C  C8    . DG  B 3  ? 0.2269 0.1512 0.1825 0.0469  -0.0062 -0.0078 4   DG  B C8    
177 N  N7    . DG  B 3  ? 0.2320 0.1437 0.1774 0.0483  -0.0033 -0.0077 4   DG  B N7    
178 C  C5    . DG  B 3  ? 0.1919 0.0996 0.1350 0.0441  0.0017  -0.0104 4   DG  B C5    
179 C  C6    . DG  B 3  ? 0.2151 0.1104 0.1487 0.0434  0.0066  -0.0115 4   DG  B C6    
180 O  O6    . DG  B 3  ? 0.2352 0.1201 0.1600 0.0464  0.0074  -0.0103 4   DG  B O6    
181 N  N1    . DG  B 3  ? 0.1942 0.0897 0.1290 0.0385  0.0108  -0.0142 4   DG  B N1    
182 C  C2    . DG  B 3  ? 0.1687 0.0751 0.1129 0.0348  0.0103  -0.0157 4   DG  B C2    
183 N  N2    . DG  B 3  ? 0.1947 0.0995 0.1386 0.0303  0.0147  -0.0182 4   DG  B N2    
184 N  N3    . DG  B 3  ? 0.2012 0.1192 0.1543 0.0355  0.0058  -0.0146 4   DG  B N3    
185 C  C4    . DG  B 3  ? 0.1813 0.0993 0.1334 0.0402  0.0017  -0.0120 4   DG  B C4    
186 P  P     . DG  B 4  ? 0.2394 0.2154 0.2387 0.0315  -0.0145 -0.0112 5   DG  B P     
187 O  OP1   . DG  B 4  ? 0.2696 0.2587 0.2800 0.0290  -0.0157 -0.0117 5   DG  B OP1   
188 O  OP2   . DG  B 4  ? 0.2664 0.2409 0.2636 0.0350  -0.0192 -0.0089 5   DG  B OP2   
189 O  "O5'" . DG  B 4  ? 0.2296 0.1980 0.2237 0.0276  -0.0101 -0.0136 5   DG  B "O5'" 
190 C  "C5'" . DG  B 4  ? 0.1513 0.1187 0.1456 0.0238  -0.0050 -0.0161 5   DG  B "C5'" 
191 C  "C4'" . DG  B 4  ? 0.1562 0.1160 0.1450 0.0206  -0.0018 -0.0179 5   DG  B "C4'" 
192 O  "O4'" . DG  B 4  ? 0.1610 0.1073 0.1384 0.0230  0.0009  -0.0177 5   DG  B "O4'" 
193 C  "C3'" . DG  B 4  ? 0.1314 0.0942 0.1227 0.0195  -0.0055 -0.0174 5   DG  B "C3'" 
194 O  "O3'" . DG  B 4  ? 0.1401 0.1038 0.1333 0.0145  -0.0027 -0.0197 5   DG  B "O3'" 
195 C  "C2'" . DG  B 4  ? 0.1604 0.1122 0.1417 0.0229  -0.0062 -0.0161 5   DG  B "C2'" 
196 C  "C1'" . DG  B 4  ? 0.1588 0.0997 0.1313 0.0234  -0.0007 -0.0171 5   DG  B "C1'" 
197 N  N9    . DG  B 4  ? 0.1639 0.0958 0.1280 0.0281  -0.0013 -0.0153 5   DG  B N9    
198 C  C8    . DG  B 4  ? 0.1691 0.1033 0.1340 0.0326  -0.0058 -0.0127 5   DG  B C8    
199 N  N7    . DG  B 4  ? 0.1921 0.1162 0.1481 0.0361  -0.0049 -0.0115 5   DG  B N7    
200 C  C5    . DG  B 4  ? 0.1761 0.0907 0.1249 0.0337  0.0005  -0.0135 5   DG  B C5    
201 C  C6    . DG  B 4  ? 0.1998 0.1013 0.1377 0.0355  0.0036  -0.0133 5   DG  B C6    
202 O  O6    . DG  B 4  ? 0.2273 0.1230 0.1596 0.0397  0.0022  -0.0113 5   DG  B O6    
203 N  N1    . DG  B 4  ? 0.1819 0.0771 0.1156 0.0318  0.0090  -0.0157 5   DG  B N1    
204 C  C2    . DG  B 4  ? 0.2036 0.1046 0.1430 0.0269  0.0109  -0.0180 5   DG  B C2    
205 N  N2    . DG  B 4  ? 0.2079 0.1016 0.1421 0.0238  0.0161  -0.0201 5   DG  B N2    
206 N  N3    . DG  B 4  ? 0.1990 0.1121 0.1486 0.0252  0.0079  -0.0181 5   DG  B N3    
207 C  C4    . DG  B 4  ? 0.1782 0.0975 0.1320 0.0288  0.0027  -0.0158 5   DG  B C4    
208 P  P     . DC  B 5  ? 0.1511 0.1238 0.1524 0.0117  -0.0064 -0.0198 6   DC  B P     
209 O  OP1   . DC  B 5  ? 0.1511 0.1241 0.1540 0.0066  -0.0026 -0.0224 6   DC  B OP1   
210 O  OP2   . DC  B 5  ? 0.1511 0.1357 0.1618 0.0133  -0.0116 -0.0179 6   DC  B OP2   
211 O  "O5'" . DC  B 5  ? 0.1464 0.1117 0.1409 0.0141  -0.0087 -0.0186 6   DC  B "O5'" 
212 C  "C5'" . DC  B 5  ? 0.1636 0.1346 0.1630 0.0134  -0.0131 -0.0180 6   DC  B "C5'" 
213 C  "C4'" . DC  B 5  ? 0.1762 0.1380 0.1679 0.0126  -0.0117 -0.0189 6   DC  B "C4'" 
214 O  "O4'" . DC  B 5  ? 0.1700 0.1219 0.1521 0.0168  -0.0116 -0.0174 6   DC  B "O4'" 
215 C  "C3'" . DC  B 5  ? 0.1519 0.1188 0.1482 0.0116  -0.0159 -0.0186 6   DC  B "C3'" 
216 O  "O3'" . DC  B 5  ? 0.1474 0.1158 0.1465 0.0066  -0.0131 -0.0211 6   DC  B "O3'" 
217 C  "C2'" . DC  B 5  ? 0.1486 0.1054 0.1351 0.0147  -0.0168 -0.0175 6   DC  B "C2'" 
218 C  "C1'" . DC  B 5  ? 0.1719 0.1181 0.1489 0.0166  -0.0124 -0.0176 6   DC  B "C1'" 
219 N  N1    . DC  B 5  ? 0.1673 0.1061 0.1364 0.0215  -0.0141 -0.0154 6   DC  B N1    
220 C  C2    . DC  B 5  ? 0.1662 0.0923 0.1241 0.0223  -0.0104 -0.0159 6   DC  B C2    
221 O  O2    . DC  B 5  ? 0.1699 0.0912 0.1245 0.0188  -0.0061 -0.0181 6   DC  B O2    
222 N  N3    . DC  B 5  ? 0.1674 0.0869 0.1183 0.0268  -0.0119 -0.0137 6   DC  B N3    
223 C  C4    . DC  B 5  ? 0.1729 0.0980 0.1277 0.0304  -0.0166 -0.0114 6   DC  B C4    
224 N  N4    . DC  B 5  ? 0.1971 0.1153 0.1448 0.0348  -0.0178 -0.0093 6   DC  B N4    
225 C  C5    . DC  B 5  ? 0.1657 0.1037 0.1319 0.0297  -0.0202 -0.0110 6   DC  B C5    
226 C  C6    . DC  B 5  ? 0.1821 0.1265 0.1551 0.0252  -0.0187 -0.0130 6   DC  B C6    
227 P  P     . DT  B 6  ? 0.1511 0.1281 0.1586 0.0038  -0.0167 -0.0215 7   DT  B P     
228 O  OP1   . DT  B 6  ? 0.1557 0.1388 0.1700 -0.0009 -0.0140 -0.0235 7   DT  B OP1   
229 O  OP2   . DT  B 6  ? 0.1536 0.1376 0.1663 0.0070  -0.0229 -0.0190 7   DT  B OP2   
230 O  "O5'" . DT  B 6  ? 0.1551 0.1225 0.1545 0.0032  -0.0153 -0.0226 7   DT  B "O5'" 
231 C  "C5'" . DT  B 6  ? 0.1589 0.1177 0.1514 0.0005  -0.0095 -0.0248 7   DT  B "C5'" 
232 C  "C4'" . DT  B 6  ? 0.1515 0.0994 0.1338 0.0020  -0.0087 -0.0249 7   DT  B "C4'" 
233 O  "O4'" . DT  B 6  ? 0.1609 0.1024 0.1360 0.0067  -0.0093 -0.0228 7   DT  B "O4'" 
234 C  "C3'" . DT  B 6  ? 0.1500 0.1010 0.1348 0.0024  -0.0134 -0.0243 7   DT  B "C3'" 
235 O  "O3'" . DT  B 6  ? 0.1795 0.1315 0.1666 -0.0020 -0.0117 -0.0267 7   DT  B "O3'" 
236 C  "C2'" . DT  B 6  ? 0.1612 0.1016 0.1351 0.0063  -0.0137 -0.0230 7   DT  B "C2'" 
237 C  "C1'" . DT  B 6  ? 0.1662 0.1001 0.1337 0.0084  -0.0103 -0.0224 7   DT  B "C1'" 
238 N  N1    . DT  B 6  ? 0.1351 0.0665 0.0989 0.0136  -0.0133 -0.0196 7   DT  B N1    
239 C  C2    . DT  B 6  ? 0.1479 0.0678 0.1006 0.0161  -0.0107 -0.0190 7   DT  B C2    
240 O  O2    . DT  B 6  ? 0.1988 0.1101 0.1444 0.0143  -0.0060 -0.0206 7   DT  B O2    
241 N  N3    . DT  B 6  ? 0.1679 0.0866 0.1182 0.0209  -0.0139 -0.0165 7   DT  B N3    
242 C  C4    . DT  B 6  ? 0.1695 0.0970 0.1269 0.0234  -0.0192 -0.0144 7   DT  B C4    
243 O  O4    . DT  B 6  ? 0.1909 0.1160 0.1450 0.0277  -0.0216 -0.0122 7   DT  B O4    
244 C  C5    . DT  B 6  ? 0.1551 0.0946 0.1240 0.0206  -0.0217 -0.0151 7   DT  B C5    
245 C  C7    . DT  B 6  ? 0.1673 0.1173 0.1449 0.0230  -0.0276 -0.0130 7   DT  B C7    
246 C  C6    . DT  B 6  ? 0.1342 0.0751 0.1058 0.0159  -0.0187 -0.0177 7   DT  B C6    
247 N  N     . THR C 1  ? 0.2049 0.0885 0.1276 0.0165  0.0170  -0.0207 1   THR G N     
248 C  CA    . THR C 1  ? 0.1984 0.0864 0.1252 0.0113  0.0202  -0.0225 1   THR G CA    
249 C  C     . THR C 1  ? 0.2090 0.1042 0.1429 0.0088  0.0180  -0.0240 1   THR G C     
250 O  O     . THR C 1  ? 0.2050 0.1003 0.1390 0.0108  0.0140  -0.0235 1   THR G O     
251 C  CB    . THR C 1  ? 0.2394 0.1224 0.1603 0.0094  0.0227  -0.0220 1   THR G CB    
252 O  OG1   . THR C 1  ? 0.2398 0.1211 0.1584 0.0103  0.0199  -0.0215 1   THR G OG1   
253 C  CG2   . THR C 1  ? 0.2537 0.1288 0.1669 0.0115  0.0251  -0.0204 1   THR G CG2   
254 N  N     . DVA C 2  ? 0.2245 0.1259 0.1643 0.0045  0.0202  -0.0255 2   DVA G N     
255 C  CA    . DVA C 2  ? 0.2394 0.1478 0.1859 0.0015  0.0185  -0.0268 2   DVA G CA    
256 C  CB    . DVA C 2  ? 0.3374 0.2484 0.2852 -0.0027 0.0211  -0.0272 2   DVA G CB    
257 C  CG1   . DVA C 2  ? 0.2194 0.1399 0.1762 -0.0062 0.0207  -0.0284 2   DVA G CG1   
258 C  CG2   . DVA C 2  ? 0.2926 0.1987 0.2350 -0.0032 0.0252  -0.0264 2   DVA G CG2   
259 C  C     . DVA C 2  ? 0.1971 0.1128 0.1516 0.0012  0.0162  -0.0280 2   DVA G C     
260 O  O     . DVA C 2  ? 0.2093 0.1290 0.1680 0.0000  0.0179  -0.0287 2   DVA G O     
261 N  N     . PRO C 3  ? 0.1965 0.1149 0.1537 0.0024  0.0116  -0.0276 3   PRO G N     
262 C  CA    . PRO C 3  ? 0.2275 0.1407 0.1790 0.0048  0.0090  -0.0264 3   PRO G CA    
263 C  C     . PRO C 3  ? 0.2250 0.1385 0.1767 0.0014  0.0097  -0.0275 3   PRO G C     
264 O  O     . PRO C 3  ? 0.2460 0.1670 0.2051 -0.0024 0.0101  -0.0289 3   PRO G O     
265 C  CB    . PRO C 3  ? 0.2093 0.1321 0.1684 0.0073  0.0027  -0.0243 3   PRO G CB    
266 C  CG    . PRO C 3  ? 0.2003 0.1349 0.1707 0.0040  0.0021  -0.0253 3   PRO G CG    
267 C  CD    . PRO C 3  ? 0.1697 0.1013 0.1384 0.0023  0.0074  -0.0268 3   PRO G CD    
268 N  N     . SAR C 4  ? 0.2285 0.1360 0.1735 0.0028  0.0094  -0.0265 4   SAR G N     
269 C  CA    . SAR C 4  ? 0.2247 0.1235 0.1608 0.0072  0.0089  -0.0246 4   SAR G CA    
270 C  C     . SAR C 4  ? 0.2385 0.1320 0.1686 0.0063  0.0136  -0.0240 4   SAR G C     
271 O  O     . SAR C 4  ? 0.2459 0.1427 0.1792 0.0030  0.0168  -0.0249 4   SAR G O     
272 C  CN    . SAR C 4  ? 0.2370 0.1460 0.1825 0.0000  0.0100  -0.0271 4   SAR G CN    
273 N  N     . MVA C 5  ? 0.2355 0.1208 0.1570 0.0096  0.0136  -0.0222 5   MVA G N     
274 C  CN    . MVA C 5  ? 0.2498 0.1312 0.1674 0.0143  0.0095  -0.0206 5   MVA G CN    
275 C  CA    . MVA C 5  ? 0.2563 0.1355 0.1712 0.0089  0.0176  -0.0214 5   MVA G CA    
276 C  CB    . MVA C 5  ? 0.2999 0.1794 0.2140 0.0055  0.0193  -0.0220 5   MVA G CB    
277 C  CG1   . MVA C 5  ? 0.2866 0.1649 0.1987 0.0067  0.0159  -0.0218 5   MVA G CG1   
278 C  CG2   . MVA C 5  ? 0.3078 0.1800 0.2139 0.0053  0.0230  -0.0209 5   MVA G CG2   
279 C  C     . MVA C 5  ? 0.2822 0.1628 0.1991 0.0076  0.0211  -0.0218 5   MVA G C     
280 O  O     . MVA C 5  ? 0.2656 0.1486 0.1846 0.0042  0.0241  -0.0226 5   MVA G O     
281 C  C1    . PXZ C 6  ? 0.2120 0.0896 0.1294 0.0253  0.0139  -0.0175 6   PXZ G C1    
282 C  C0    . PXZ C 6  ? 0.2387 0.1197 0.1595 0.0196  0.0178  -0.0197 6   PXZ G C0    
283 O  O1    . PXZ C 6  ? 0.2664 0.1472 0.1873 0.0176  0.0215  -0.0204 6   PXZ G O1    
284 C  C2    . PXZ C 6  ? 0.2272 0.0972 0.1368 0.0279  0.0147  -0.0157 6   PXZ G C2    
285 N  N2    . PXZ C 6  ? 0.2893 0.1546 0.1942 0.0250  0.0195  -0.0161 6   PXZ G N2    
286 C  C3    . PXZ C 6  ? 0.2507 0.1185 0.1578 0.0330  0.0110  -0.0134 6   PXZ G C3    
287 O  O3    . PXZ C 6  ? 0.3652 0.2267 0.2657 0.0352  0.0117  -0.0118 6   PXZ G O3    
288 C  C4    . PXZ C 6  ? 0.2299 0.1035 0.1425 0.0358  0.0060  -0.0127 6   PXZ G C4    
289 O  O5    . PXZ C 6  ? 0.2284 0.1234 0.1590 0.0338  -0.0004 -0.0127 6   PXZ G O5    
290 C  C6    . PXZ C 6  ? 0.2061 0.1227 0.1550 0.0320  -0.0070 -0.0124 6   PXZ G C6    
291 C  C7    . PXZ C 6  ? 0.1891 0.1170 0.1483 0.0287  -0.0086 -0.0134 6   PXZ G C7    
292 C  C8    . PXZ C 6  ? 0.1737 0.1020 0.1345 0.0238  -0.0047 -0.0161 6   PXZ G C8    
293 C  C9    . PXZ C 6  ? 0.1542 0.0716 0.1063 0.0224  0.0007  -0.0176 6   PXZ G C9    
294 C  "C0'" . PXZ C 6  ? 0.1906 0.1079 0.1440 0.0169  0.0053  -0.0206 6   PXZ G "C0'" 
295 O  "O1'" . PXZ C 6  ? 0.2092 0.1302 0.1661 0.0138  0.0046  -0.0217 6   PXZ G "O1'" 
296 N  N10   . PXZ C 6  ? 0.1888 0.0841 0.1220 0.0241  0.0076  -0.0181 6   PXZ G N10   
297 C  C11   . PXZ C 6  ? 0.1963 0.0810 0.1200 0.0276  0.0089  -0.0168 6   PXZ G C11   
298 C  C12   . PXZ C 6  ? 0.2111 0.0956 0.1334 0.0324  0.0048  -0.0141 6   PXZ G C12   
299 C  C13   . PXZ C 6  ? 0.1909 0.0966 0.1311 0.0305  -0.0016 -0.0139 6   PXZ G C13   
300 C  C14   . PXZ C 6  ? 0.1850 0.0910 0.1267 0.0257  0.0023  -0.0166 6   PXZ G C14   
301 C  C15   . PXZ C 6  ? 0.2627 0.1359 0.1737 0.0411  0.0016  -0.0097 6   PXZ G C15   
302 C  C16   . PXZ C 6  ? 0.2294 0.1449 0.1761 0.0374  -0.0110 -0.0095 6   PXZ G C16   
303 N  N     . THR C 7  ? 0.1778 0.0936 0.1307 0.0158  0.0097  -0.0219 7   THR G N     
304 C  CA    . THR C 7  ? 0.1818 0.0993 0.1375 0.0106  0.0137  -0.0246 7   THR G CA    
305 C  C     . THR C 7  ? 0.2277 0.1349 0.1754 0.0099  0.0196  -0.0261 7   THR G C     
306 O  O     . THR C 7  ? 0.2301 0.1322 0.1730 0.0132  0.0203  -0.0248 7   THR G O     
307 C  CB    . THR C 7  ? 0.1687 0.0985 0.1354 0.0085  0.0128  -0.0253 7   THR G CB    
308 O  OG1   . THR C 7  ? 0.1902 0.1199 0.1567 0.0109  0.0140  -0.0247 7   THR G OG1   
309 C  CG2   . THR C 7  ? 0.1646 0.1058 0.1405 0.0090  0.0069  -0.0239 7   THR G CG2   
310 N  N     . DVA C 8  ? 0.2114 0.1217 0.1614 0.0052  0.0223  -0.0271 8   DVA G N     
311 C  CA    . DVA C 8  ? 0.2463 0.1547 0.1940 0.0037  0.0264  -0.0269 8   DVA G CA    
312 C  CB    . DVA C 8  ? 0.3393 0.2554 0.2937 -0.0010 0.0286  -0.0282 8   DVA G CB    
313 C  CG1   . DVA C 8  ? 0.3242 0.2380 0.2754 -0.0038 0.0318  -0.0276 8   DVA G CG1   
314 C  CG2   . DVA C 8  ? 0.2845 0.2091 0.2471 -0.0033 0.0262  -0.0294 8   DVA G CG2   
315 C  C     . DVA C 8  ? 0.2735 0.1735 0.2126 0.0045  0.0280  -0.0255 8   DVA G C     
316 O  O     . DVA C 8  ? 0.2812 0.1801 0.2184 0.0029  0.0279  -0.0253 8   DVA G O     
317 N  N     . PRO C 9  ? 0.2526 0.1466 0.1863 0.0073  0.0293  -0.0244 9   PRO G N     
318 C  CA    . PRO C 9  ? 0.2291 0.1234 0.1640 0.0103  0.0289  -0.0243 9   PRO G CA    
319 C  C     . PRO C 9  ? 0.2389 0.1372 0.1778 0.0080  0.0319  -0.0254 9   PRO G C     
320 O  O     . PRO C 9  ? 0.3026 0.2011 0.2412 0.0047  0.0347  -0.0256 9   PRO G O     
321 C  CB    . PRO C 9  ? 0.2571 0.1424 0.1835 0.0141  0.0291  -0.0223 9   PRO G CB    
322 C  CG    . PRO C 9  ? 0.2702 0.1510 0.1916 0.0116  0.0317  -0.0219 9   PRO G CG    
323 C  CD    . PRO C 9  ? 0.2757 0.1613 0.2010 0.0080  0.0310  -0.0229 9   PRO G CD    
324 N  N     . SAR C 10 ? 0.2730 0.1752 0.2162 0.0098  0.0312  -0.0260 10  SAR G N     
325 C  CA    . SAR C 10 ? 0.2676 0.1711 0.2126 0.0135  0.0276  -0.0257 10  SAR G CA    
326 C  C     . SAR C 10 ? 0.2190 0.1310 0.1721 0.0110  0.0260  -0.0273 10  SAR G C     
327 O  O     . SAR C 10 ? 0.2446 0.1607 0.2011 0.0066  0.0273  -0.0283 10  SAR G O     
328 C  CN    . SAR C 10 ? 0.3137 0.2181 0.2592 0.0088  0.0339  -0.0267 10  SAR G CN    
329 N  N     . MVA C 11 ? 0.2297 0.1501 0.1890 0.0135  0.0210  -0.0256 11  MVA G N     
330 C  CN    . MVA C 11 ? 0.2239 0.1422 0.1805 0.0188  0.0179  -0.0230 11  MVA G CN    
331 C  CA    . MVA C 11 ? 0.1851 0.1186 0.1553 0.0110  0.0179  -0.0257 11  MVA G CA    
332 C  CB    . MVA C 11 ? 0.2085 0.1486 0.1851 0.0079  0.0207  -0.0276 11  MVA G CB    
333 C  CG1   . MVA C 11 ? 0.1927 0.1471 0.1809 0.0066  0.0165  -0.0270 11  MVA G CG1   
334 C  CG2   . MVA C 11 ? 0.2465 0.1841 0.2209 0.0105  0.0228  -0.0275 11  MVA G CG2   
335 C  C     . MVA C 11 ? 0.2148 0.1492 0.1861 0.0078  0.0170  -0.0265 11  MVA G C     
336 O  O     . MVA C 11 ? 0.2193 0.1569 0.1942 0.0035  0.0191  -0.0284 11  MVA G O     
337 C  C1    . DM2 D .  ? 0.2820 0.1484 0.1926 0.0512  0.0167  -0.0090 101 DM2 A C1    
338 C  C2    . DM2 D .  ? 0.2886 0.1539 0.1971 0.0555  0.0131  -0.0064 101 DM2 A C2    
339 C  C3    . DM2 D .  ? 0.2914 0.1643 0.2057 0.0584  0.0082  -0.0050 101 DM2 A C3    
340 C  C4    . DM2 D .  ? 0.2526 0.1338 0.1746 0.0573  0.0067  -0.0063 101 DM2 A C4    
341 O  O4    . DM2 D .  ? 0.2804 0.1705 0.2091 0.0599  0.0016  -0.0048 101 DM2 A O4    
342 C  C5    . DM2 D .  ? 0.2525 0.1341 0.1762 0.0532  0.0106  -0.0092 101 DM2 A C5    
343 C  C6    . DM2 D .  ? 0.2207 0.1147 0.1546 0.0505  0.0088  -0.0104 101 DM2 A C6    
344 O  O6    . DM2 D .  ? 0.2397 0.1429 0.1801 0.0521  0.0041  -0.0089 101 DM2 A O6    
345 C  C7    . DM2 D .  ? 0.2238 0.1197 0.1602 0.0451  0.0130  -0.0134 101 DM2 A C7    
346 C  C8    . DM2 D .  ? 0.1657 0.0741 0.1122 0.0418  0.0115  -0.0144 101 DM2 A C8    
347 O  O8    . DM2 D .  ? 0.2061 0.1239 0.1592 0.0442  0.0060  -0.0124 101 DM2 A O8    
348 C  C9    . DM2 D .  ? 0.1874 0.0977 0.1363 0.0370  0.0151  -0.0170 101 DM2 A C9    
349 C  C10   . DM2 D .  ? 0.1732 0.0978 0.1336 0.0338  0.0129  -0.0178 101 DM2 A C10   
350 O  O10   . DM2 D .  ? 0.1895 0.1202 0.1549 0.0358  0.0124  -0.0175 101 DM2 A O10   
351 C  C11   . DM2 D .  ? 0.1829 0.1096 0.1460 0.0284  0.0167  -0.0205 101 DM2 A C11   
352 C  C12   . DM2 D .  ? 0.1756 0.0914 0.1309 0.0267  0.0227  -0.0225 101 DM2 A C12   
353 O  O12   . DM2 D .  ? 0.2300 0.1483 0.1877 0.0284  0.0239  -0.0228 101 DM2 A O12   
354 C  C13   . DM2 D .  ? 0.2041 0.1222 0.1623 0.0212  0.0268  -0.0254 101 DM2 A C13   
355 O  O13   . DM2 D .  ? 0.2308 0.1448 0.1859 0.0188  0.0279  -0.0261 101 DM2 A O13   
356 C  C14   . DM2 D .  ? 0.2364 0.1619 0.2013 0.0188  0.0291  -0.0272 101 DM2 A C14   
357 O  O14   . DM2 D .  ? 0.2305 0.1586 0.1981 0.0136  0.0314  -0.0293 101 DM2 A O14   
358 C  C15   . DM2 D .  ? 0.2166 0.1188 0.1609 0.0295  0.0247  -0.0218 101 DM2 A C15   
359 C  C16   . DM2 D .  ? 0.2072 0.1072 0.1487 0.0350  0.0205  -0.0188 101 DM2 A C16   
360 C  C17   . DM2 D .  ? 0.2040 0.0919 0.1359 0.0380  0.0221  -0.0179 101 DM2 A C17   
361 O  O17   . DM2 D .  ? 0.2228 0.1055 0.1502 0.0346  0.0262  -0.0186 101 DM2 A O17   
362 C  C18   . DM2 D .  ? 0.2052 0.0907 0.1342 0.0431  0.0184  -0.0151 101 DM2 A C18   
363 C  C19   . DM2 D .  ? 0.2159 0.0922 0.1366 0.0446  0.0197  -0.0135 101 DM2 A C19   
364 O  O19   . DM2 D .  ? 0.2550 0.1264 0.1716 0.0417  0.0235  -0.0143 101 DM2 A O19   
365 C  C20   . DM2 D .  ? 0.2547 0.1292 0.1729 0.0499  0.0155  -0.0105 101 DM2 A C20   
366 C  C21   . DM2 D .  ? 0.3226 0.2132 0.2499 0.0633  -0.0020 -0.0020 101 DM2 A C21   
367 C  "C1'" . DM2 D .  ? 0.2070 0.1494 0.1810 0.0368  0.0074  -0.0160 101 DM2 A "C1'" 
368 C  "C2'" . DM2 D .  ? 0.2055 0.1515 0.1820 0.0403  0.0063  -0.0151 101 DM2 A "C2'" 
369 C  "C3'" . DM2 D .  ? 0.1831 0.1322 0.1629 0.0379  0.0104  -0.0174 101 DM2 A "C3'" 
370 N  "N3'" . DM2 D .  ? 0.2278 0.1818 0.2111 0.0414  0.0088  -0.0164 101 DM2 A "N3'" 
371 C  "C4'" . DM2 D .  ? 0.1524 0.1118 0.1406 0.0329  0.0106  -0.0190 101 DM2 A "C4'" 
372 O  "O4'" . DM2 D .  ? 0.1924 0.1642 0.1896 0.0337  0.0053  -0.0174 101 DM2 A "O4'" 
373 C  "C5'" . DM2 D .  ? 0.1901 0.1449 0.1751 0.0295  0.0118  -0.0199 101 DM2 A "C5'" 
374 O  "O5'" . DM2 D .  ? 0.1783 0.1308 0.1608 0.0320  0.0076  -0.0177 101 DM2 A "O5'" 
375 C  "C6'" . DM2 D .  ? 0.1815 0.1465 0.1751 0.0246  0.0118  -0.0214 101 DM2 A "C6'" 
376 MN MN    . MN  E .  ? 0.4241 0.2972 0.3284 0.0490  -0.0138 -0.0029 102 MN  A MN    
377 MN MN    . MN  F .  ? 0.4309 0.2935 0.3424 0.0354  0.0362  -0.0173 103 MN  A MN    
378 MN MN    . MN  G .  ? 0.2688 0.1704 0.2041 0.0552  -0.0078 -0.0038 101 MN  B MN    
379 CL CL    . CL  H .  ? 0.2154 0.1913 0.2223 0.0208  0.0028  -0.0048 102 CL  B CL    
380 O  O     . HOH I .  ? 0.6691 0.4960 0.5217 0.0412  -0.0026 -0.0043 201 HOH A O     
381 O  O     . HOH I .  ? 0.4763 0.4130 0.4515 0.0066  0.0367  -0.0326 202 HOH A O     
382 O  O     . HOH I .  ? 0.4700 0.2979 0.3223 0.0368  -0.0041 -0.0069 203 HOH A O     
383 O  O     . HOH I .  ? 0.5269 0.3588 0.3908 0.0349  0.0105  -0.0076 204 HOH A O     
384 O  O     . HOH I .  ? 0.4881 0.3484 0.3726 0.0441  -0.0251 -0.0045 205 HOH A O     
385 O  O     . HOH I .  ? 0.3839 0.2709 0.3029 0.0448  -0.0133 -0.0056 206 HOH A O     
386 O  O     . HOH I .  ? 0.5158 0.4300 0.4719 0.0047  0.0496  -0.0308 207 HOH A O     
387 O  O     . HOH I .  ? 0.2829 0.1571 0.1881 0.0461  -0.0161 -0.0043 208 HOH A O     
388 O  O     . HOH I .  ? 0.2876 0.2673 0.2897 0.0365  -0.0049 -0.0132 209 HOH A O     
389 O  O     . HOH I .  ? 0.4733 0.3330 0.3804 0.0395  0.0306  -0.0144 210 HOH A O     
390 O  O     . HOH I .  ? 0.2114 0.1677 0.1971 0.0264  0.0049  -0.0182 211 HOH A O     
391 O  O     . HOH I .  ? 0.5554 0.4231 0.4729 0.0322  0.0408  -0.0201 212 HOH A O     
392 O  O     . HOH I .  ? 0.3973 0.2598 0.3096 0.0429  0.0333  -0.0155 213 HOH A O     
393 O  O     . HOH I .  ? 0.5581 0.4599 0.5046 0.0141  0.0475  -0.0290 214 HOH A O     
394 O  O     . HOH I .  ? 0.5212 0.3874 0.4255 0.0076  0.0350  -0.0197 215 HOH A O     
395 O  O     . HOH I .  ? 0.3663 0.2302 0.2640 0.0448  -0.0060 -0.0057 216 HOH A O     
396 O  O     . HOH I .  ? 0.2302 0.1902 0.2196 0.0363  0.0168  -0.0213 217 HOH A O     
397 O  O     . HOH I .  ? 0.3645 0.2413 0.2911 0.0374  0.0385  -0.0209 218 HOH A O     
398 O  O     . HOH I .  ? 0.3659 0.2726 0.3061 0.0589  -0.0078 -0.0030 219 HOH A O     
399 O  O     . HOH I .  ? 0.3334 0.1852 0.2284 0.0457  0.0191  -0.0084 220 HOH A O     
400 O  O     . HOH I .  ? 0.3189 0.2189 0.2468 0.0439  -0.0244 -0.0044 221 HOH A O     
401 O  O     . HOH I .  ? 0.5767 0.4410 0.4889 0.0281  0.0393  -0.0190 222 HOH A O     
402 O  O     . HOH I .  ? 0.4493 0.3140 0.3518 0.0514  0.0028  -0.0045 223 HOH A O     
403 O  O     . HOH I .  ? 0.4705 0.3062 0.3428 0.0317  0.0201  -0.0096 224 HOH A O     
404 O  O     . HOH I .  ? 0.5419 0.4047 0.4319 0.0477  -0.0180 -0.0024 225 HOH A O     
405 O  O     . HOH I .  ? 0.5887 0.4173 0.4547 0.0194  0.0361  -0.0121 226 HOH A O     
406 O  O     . HOH I .  ? 0.5778 0.4033 0.4417 0.0273  0.0315  -0.0100 227 HOH A O     
407 O  O     . HOH I .  ? 0.5151 0.3641 0.4104 0.0429  0.0270  -0.0107 228 HOH A O     
408 O  O     . HOH I .  ? 0.5884 0.4368 0.4697 0.0427  -0.0003 -0.0056 229 HOH A O     
409 O  O     . HOH I .  ? 0.4640 0.3083 0.3431 0.0367  0.0087  -0.0083 230 HOH A O     
410 O  O     . HOH I .  ? 0.5122 0.3280 0.3520 0.0382  0.0021  -0.0048 231 HOH A O     
411 O  O     . HOH I .  ? 0.6238 0.4542 0.4826 0.0431  -0.0001 -0.0036 232 HOH A O     
412 O  O     . HOH I .  ? 0.7551 0.5756 0.6087 0.0354  0.0180  -0.0062 233 HOH A O     
413 O  O     . HOH I .  ? 0.4919 0.3391 0.3697 0.0427  -0.0044 -0.0052 234 HOH A O     
414 O  O     . HOH I .  ? 0.4176 0.2667 0.3169 0.0373  0.0381  -0.0148 235 HOH A O     
415 O  O     . HOH I .  ? 0.4751 0.3554 0.4049 0.0269  0.0457  -0.0246 236 HOH A O     
416 O  O     . HOH I .  ? 0.4175 0.2577 0.3001 0.0405  0.0233  -0.0085 237 HOH A O     
417 O  O     . HOH I .  ? 0.6454 0.4810 0.5216 0.0371  0.0237  -0.0086 238 HOH A O     
418 O  O     . HOH I .  ? 0.6201 0.4736 0.5261 0.0377  0.0418  -0.0171 239 HOH A O     
419 O  O     . HOH I .  ? 0.4701 0.3455 0.3769 0.0521  -0.0126 -0.0016 240 HOH A O     
420 O  O     . HOH I .  ? 0.4796 0.3639 0.3905 0.0524  -0.0221 0.0002  241 HOH A O     
421 O  O     . HOH I .  ? 0.5037 0.3668 0.3953 0.0520  -0.0136 -0.0003 242 HOH A O     
422 O  O     . HOH I .  ? 0.5301 0.4131 0.4368 0.0517  -0.0264 0.0007  243 HOH A O     
423 O  O     . HOH I .  ? 0.4957 0.3236 0.3676 0.0434  0.0274  -0.0066 244 HOH A O     
424 O  O     . HOH J .  ? 0.3762 0.3372 0.3620 0.0350  -0.0189 -0.0089 201 HOH B O     
425 O  O     . HOH J .  ? 0.2676 0.1523 0.1904 0.0548  -0.0002 -0.0053 202 HOH B O     
426 O  O     . HOH J .  ? 0.4878 0.3901 0.4321 0.0774  0.0087  -0.0051 203 HOH B O     
427 O  O     . HOH J .  ? 0.2381 0.1742 0.1999 0.0347  -0.0314 -0.0074 204 HOH B O     
428 O  O     . HOH J .  ? 0.3820 0.3159 0.3537 -0.0059 -0.0012 -0.0303 205 HOH B O     
429 O  O     . HOH J .  ? 0.4430 0.4369 0.4595 0.0204  -0.0220 -0.0130 206 HOH B O     
430 O  O     . HOH J .  ? 0.5259 0.4483 0.4772 0.0753  -0.0123 0.0040  207 HOH B O     
431 O  O     . HOH J .  ? 0.3487 0.2239 0.2729 0.0555  0.0264  -0.0135 208 HOH B O     
432 O  O     . HOH J .  ? 0.2330 0.1696 0.2028 0.0263  0.0073  -0.0183 209 HOH B O     
433 O  O     . HOH J .  ? 0.2341 0.1348 0.1701 0.0000  0.0000  -0.0234 210 HOH B O     
434 O  O     . HOH J .  ? 0.1997 0.1666 0.2019 -0.0057 -0.0188 -0.0276 211 HOH B O     
435 O  O     . HOH J .  ? 0.2604 0.2052 0.2353 0.0517  0.0039  -0.0119 212 HOH B O     
436 O  O     . HOH J .  ? 0.2061 0.1775 0.2109 -0.0042 -0.0027 -0.0268 213 HOH B O     
437 O  O     . HOH J .  ? 0.2782 0.2048 0.2339 0.0453  -0.0144 -0.0060 214 HOH B O     
438 O  O     . HOH J .  ? 0.1725 0.1327 0.1660 0.0015  0.0016  -0.0254 215 HOH B O     
439 O  O     . HOH J .  ? 0.3361 0.2138 0.2595 0.0655  0.0152  -0.0070 216 HOH B O     
440 O  O     . HOH J .  ? 0.3308 0.2248 0.2597 0.0502  -0.0056 -0.0056 217 HOH B O     
441 O  O     . HOH J .  ? 0.3908 0.3183 0.3446 0.0436  -0.0266 -0.0040 218 HOH B O     
442 O  O     . HOH J .  ? 0.5223 0.4494 0.4907 0.0632  -0.0052 0.0090  219 HOH B O     
443 O  O     . HOH J .  ? 0.2899 0.2077 0.2375 0.0541  -0.0152 -0.0026 220 HOH B O     
444 O  O     . HOH J .  ? 0.3614 0.3601 0.3779 0.0355  -0.0174 -0.0095 221 HOH B O     
445 O  O     . HOH J .  ? 0.3066 0.2889 0.3123 0.0272  -0.0039 -0.0158 222 HOH B O     
446 O  O     . HOH J .  ? 0.3883 0.3121 0.3374 0.0436  -0.0315 -0.0034 223 HOH B O     
447 O  O     . HOH J .  ? 0.4452 0.4371 0.4546 0.0433  -0.0249 -0.0049 224 HOH B O     
448 O  O     . HOH J .  ? 0.3560 0.2224 0.2739 0.0458  0.0355  -0.0169 225 HOH B O     
449 O  O     . HOH J .  ? 0.5046 0.4604 0.4979 -0.0120 0.0015  -0.0315 226 HOH B O     
450 O  O     . HOH J .  ? 0.3509 0.3094 0.3464 -0.0102 0.0039  -0.0308 227 HOH B O     
451 O  O     . HOH J .  ? 0.2668 0.1627 0.1948 0.0596  -0.0118 -0.0001 228 HOH B O     
452 O  O     . HOH J .  ? 0.5010 0.4630 0.4885 0.0297  -0.0207 -0.0104 229 HOH B O     
453 O  O     . HOH J .  ? 0.3960 0.3483 0.3722 0.0400  -0.0297 -0.0048 230 HOH B O     
454 O  O     . HOH J .  ? 0.4601 0.4202 0.4432 0.0352  -0.0384 -0.0055 231 HOH B O     
455 O  O     . HOH J .  ? 0.4556 0.3724 0.4006 0.0504  -0.0209 -0.0024 232 HOH B O     
456 O  O     . HOH J .  ? 0.4639 0.3544 0.3848 0.0580  -0.0145 0.0007  233 HOH B O     
457 O  O     . HOH K .  ? 0.3458 0.2827 0.3215 -0.0054 0.0173  -0.0312 101 HOH G O     
458 O  O     . HOH K .  ? 0.5272 0.4204 0.4573 -0.0013 0.0327  -0.0243 102 HOH G O     
459 O  O     . HOH K .  ? 0.5479 0.4397 0.4788 0.0002  0.0392  -0.0244 103 HOH G O     
460 O  O     . HOH K .  ? 0.2863 0.2154 0.2537 -0.0015 0.0318  -0.0305 104 HOH G O     
461 O  O     . HOH K .  ? 0.3743 0.2764 0.3109 -0.0041 0.0209  -0.0260 105 HOH G O     
462 O  O     . HOH K .  ? 0.5351 0.4200 0.4551 -0.0019 0.0317  -0.0230 106 HOH G O     
463 O  O     . HOH K .  ? 0.5231 0.4598 0.4971 -0.0088 0.0068  -0.0306 107 HOH G O     
464 O  O     . HOH K .  ? 0.4217 0.3606 0.3984 -0.0084 0.0114  -0.0308 108 HOH G O     
465 O  O     . HOH K .  ? 0.5138 0.3597 0.3984 0.0331  0.0189  -0.0107 109 HOH G O     
466 O  O     . HOH K .  ? 0.5940 0.4357 0.4747 0.0411  0.0162  -0.0073 110 HOH G O     
467 O  O     . HOH K .  ? 0.3456 0.2393 0.2738 0.0046  0.0073  -0.0245 111 HOH G O     
468 O  O     . HOH K .  ? 0.5947 0.4722 0.5096 0.0011  0.0373  -0.0219 112 HOH G O     
469 O  O     . HOH K .  ? 0.3792 0.2895 0.3244 0.0000  0.0000  -0.0284 113 HOH G O     
# 
