data_9KL1
# 
_entry.id   9KL1 
# 
_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   9KL1         pdb_00009kl1 10.2210/pdb9kl1/pdb 
WWPDB D_1300053767 ?            ?                   
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
_pdbx_audit_revision_history.part_number 
1 'Structure model' 1 0 2025-02-19 ? 
2 'Structure model' 1 1 2025-03-12 ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_audit_revision_group.ordinal             1 
_pdbx_audit_revision_group.revision_ordinal    2 
_pdbx_audit_revision_group.data_content_type   'Structure model' 
_pdbx_audit_revision_group.group               'Database references' 
# 
_pdbx_audit_revision_category.ordinal             1 
_pdbx_audit_revision_category.revision_ordinal    2 
_pdbx_audit_revision_category.data_content_type   'Structure model' 
_pdbx_audit_revision_category.category            citation 
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1 2 'Structure model' '_citation.journal_volume' 
2 2 'Structure model' '_citation.page_first'     
3 2 'Structure model' '_citation.page_last'      
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9KL1 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-14 
_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 
# 
loop_
_pdbx_database_related.db_name 
_pdbx_database_related.details 
_pdbx_database_related.db_id 
_pdbx_database_related.content_type 
PDB . 9K7R unspecified 
PDB . 9K8Z unspecified 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              j.kondo@sophia.ac.jp 
_pdbx_contact_author.name_first         Jiro 
_pdbx_contact_author.name_last          Kondo 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-5682-3685 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Kondo, J.' 1 0000-0002-5682-3685 
'Ando, S.'  2 ?                   
# 
_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            'Acta Crystallogr.,Sect.F' 
_citation.journal_id_ASTM           ACSFEN 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           2053-230X 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            81 
_citation.language                  ? 
_citation.page_first                95 
_citation.page_last                 100 
_citation.title                     'The first report of structural analysis of a nucleic acid using crystals grown in space.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1107/S2053230X25000810 
_citation.pdbx_database_id_PubMed   39937045 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Ando, S.'      1 ? 
primary 'Takahashi, M.' 2 ? 
primary 'Kondo, J.'     3 ? 
# 
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 
;RNA (5'-R(*GP*AP*AP*GP*AP*AP*GP*AP*G)-3')
;
2981.895 1  ? ? ? ? 
2 polymer     syn 
;DNA (5'-D(*(5CM)P*TP*CP*TP*TP*CP*TP*TP*(5CM))-3')
;
2660.788 1  ? ? ? ? 
3 non-polymer syn SPERMINE                                            202.340  1  ? ? ? ? 
4 water       nat water                                               18.015   49 ? ? ? ? 
# 
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 polyribonucleotide      no no  GAAGAAGAG                                GAAGAAGAG A ? 
2 polydeoxyribonucleotide no yes '(5CM)(DT)(DC)(DT)(DT)(DC)(DT)(DT)(5CM)' CTCTTCTTC B ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
3 SPERMINE SPM 
4 water    HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1 G   n 
1 2 A   n 
1 3 A   n 
1 4 G   n 
1 5 A   n 
1 6 A   n 
1 7 G   n 
1 8 A   n 
1 9 G   n 
2 1 5CM n 
2 2 DT  n 
2 3 DC  n 
2 4 DT  n 
2 5 DT  n 
2 6 DC  n 
2 7 DT  n 
2 8 DT  n 
2 9 5CM 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 9 'synthetic construct' ? 32630 ? 
2 1 sample 1 9 'synthetic construct' ? 32630 ? 
# 
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 
5CM 'DNA linking' n "5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE" ? 'C10 H16 N3 O7 P' 321.224 
A   'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE"                  ? 'C10 H14 N5 O7 P' 347.221 
DC  'DNA linking' y "2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE"           ? 'C9 H14 N3 O7 P'  307.197 
DT  'DNA linking' y "THYMIDINE-5'-MONOPHOSPHATE"                  ? 'C10 H15 N2 O8 P' 322.208 
G   'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE"                  ? 'C10 H14 N5 O8 P' 363.221 
HOH non-polymer   . WATER                                         ? 'H2 O'            18.015  
SPM non-polymer   . SPERMINE                                      ? 'C10 H26 N4'      202.340 
# 
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 G   1 1 1 G   G   A . n 
A 1 2 A   2 2 2 A   A   A . n 
A 1 3 A   3 3 3 A   A   A . n 
A 1 4 G   4 4 4 G   G   A . n 
A 1 5 A   5 5 5 A   A   A . n 
A 1 6 A   6 6 6 A   A   A . n 
A 1 7 G   7 7 7 G   G   A . n 
A 1 8 A   8 8 8 A   A   A . n 
A 1 9 G   9 9 9 G   G   A . n 
B 2 1 5CM 1 1 1 5CM 5CM B . n 
B 2 2 DT  2 2 2 DT  DT  B . n 
B 2 3 DC  3 3 3 DC  DC  B . n 
B 2 4 DT  4 4 4 DT  DT  B . n 
B 2 5 DT  5 5 5 DT  DT  B . n 
B 2 6 DC  6 6 6 DC  DC  B . n 
B 2 7 DT  7 7 7 DT  DT  B . n 
B 2 8 DT  8 8 8 DT  DT  B . n 
B 2 9 5CM 9 9 9 5CM 5CM B . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
C 3 SPM 1  101 101 SPM SPM A . 
D 4 HOH 1  201 47  HOH HOH A . 
D 4 HOH 2  202 22  HOH HOH A . 
D 4 HOH 3  203 5   HOH HOH A . 
D 4 HOH 4  204 15  HOH HOH A . 
D 4 HOH 5  205 14  HOH HOH A . 
D 4 HOH 6  206 46  HOH HOH A . 
D 4 HOH 7  207 38  HOH HOH A . 
D 4 HOH 8  208 44  HOH HOH A . 
D 4 HOH 9  209 16  HOH HOH A . 
D 4 HOH 10 210 48  HOH HOH A . 
D 4 HOH 11 211 35  HOH HOH A . 
D 4 HOH 12 212 33  HOH HOH A . 
D 4 HOH 13 213 25  HOH HOH A . 
D 4 HOH 14 214 2   HOH HOH A . 
D 4 HOH 15 215 4   HOH HOH A . 
D 4 HOH 16 216 12  HOH HOH A . 
D 4 HOH 17 217 29  HOH HOH A . 
D 4 HOH 18 218 52  HOH HOH A . 
D 4 HOH 19 219 39  HOH HOH A . 
D 4 HOH 20 220 37  HOH HOH A . 
D 4 HOH 21 221 40  HOH HOH A . 
E 4 HOH 1  101 26  HOH HOH B . 
E 4 HOH 2  102 10  HOH HOH B . 
E 4 HOH 3  103 3   HOH HOH B . 
E 4 HOH 4  104 20  HOH HOH B . 
E 4 HOH 5  105 1   HOH HOH B . 
E 4 HOH 6  106 53  HOH HOH B . 
E 4 HOH 7  107 7   HOH HOH B . 
E 4 HOH 8  108 32  HOH HOH B . 
E 4 HOH 9  109 24  HOH HOH B . 
E 4 HOH 10 110 11  HOH HOH B . 
E 4 HOH 11 111 19  HOH HOH B . 
E 4 HOH 12 112 27  HOH HOH B . 
E 4 HOH 13 113 6   HOH HOH B . 
E 4 HOH 14 114 21  HOH HOH B . 
E 4 HOH 15 115 36  HOH HOH B . 
E 4 HOH 16 116 9   HOH HOH B . 
E 4 HOH 17 117 8   HOH HOH B . 
E 4 HOH 18 118 34  HOH HOH B . 
E 4 HOH 19 119 28  HOH HOH B . 
E 4 HOH 20 120 49  HOH HOH B . 
E 4 HOH 21 121 31  HOH HOH B . 
E 4 HOH 22 122 43  HOH HOH B . 
E 4 HOH 23 123 50  HOH HOH B . 
E 4 HOH 24 124 13  HOH HOH B . 
E 4 HOH 25 125 42  HOH HOH B . 
E 4 HOH 26 126 17  HOH HOH B . 
E 4 HOH 27 127 23  HOH HOH B . 
E 4 HOH 28 128 41  HOH HOH B . 
# 
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'   ? ? ? ? ? ? ? ? ? ? ? XSCALE ? ? ? .                    2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? .                    3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? .                    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                     9KL1 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     49.015 
_cell.length_a_esd                 ? 
_cell.length_b                     49.015 
_cell.length_b_esd                 ? 
_cell.length_c                     45.706 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        6 
_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                         9KL1 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                169 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 61' 
_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                   9KL1 
_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             2.81 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          56.21 
_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          COUNTER-DIFFUSION 
_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    'sodium chloride, MPD, spermine 4HCl, MES' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293.15 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER X 16M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-02-10 
_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   1.00 
_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                        'SPRING-8 BEAMLINE BL41XU' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.00 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   BL41XU 
_diffrn_source.pdbx_synchrotron_site       SPring-8 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9KL1 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.6 
_reflns.d_resolution_low                               31.1 
_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                                     8323 
_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                                5.2 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          26.02 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.03 
_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                                   1.0 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.027 
_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                        ? 
# 
loop_
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_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 
_reflns_shell.percent_possible_obs 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.meanI_over_sigI_gt 
_reflns_shell.meanI_over_uI_all 
_reflns_shell.meanI_over_uI_gt 
_reflns_shell.number_measured_gt 
_reflns_shell.number_unique_gt 
_reflns_shell.percent_possible_gt 
_reflns_shell.Rmerge_F_gt 
_reflns_shell.Rmerge_I_gt 
_reflns_shell.pdbx_redundancy 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_netI_over_sigmaI_all 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_rejects 
_reflns_shell.pdbx_ordinal 
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_CC_half 
_reflns_shell.pdbx_CC_star 
_reflns_shell.pdbx_R_split 
_reflns_shell.percent_possible_all 
_reflns_shell.Rmerge_I_all 
_reflns_shell.Rmerge_I_obs 
_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 
1.60 1.7  ? ? ? ? ? ? 1353 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.365 ? ? 1 1 0.949 ? ? ? ? 0.328 ? ? ? ? ? ? ? ? ? 
1.70 1.8  ? ? ? ? ? ? 1084 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.208 ? ? 2 1 0.977 ? ? ? ? 0.186 ? ? ? ? ? ? ? ? ? 
1.80 1.9  ? ? ? ? ? ? 870  ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.152 ? ? 3 1 0.988 ? ? ? ? 0.137 ? ? ? ? ? ? ? ? ? 
1.90 2.0  ? ? ? ? ? ? 690  ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.106 ? ? 4 1 0.993 ? ? ? ? 0.095 ? ? ? ? ? ? ? ? ? 
2.00 3.0  ? ? ? ? ? ? 2997 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.045 ? ? 5 1 0.999 ? ? ? ? 0.04  ? ? ? ? ? ? ? ? ? 
3.00 4.0  ? ? ? ? ? ? 738  ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.022 ? ? 6 1 1.0   ? ? ? ? 0.02  ? ? ? ? ? ? ? ? ? 
4.00 5.0  ? ? ? ? ? ? 268  ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.021 ? ? 7 1 1.0   ? ? ? ? 0.019 ? ? ? ? ? ? ? ? ? 
5.00 31.1 ? ? ? ? ? ? 284  ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.021 ? ? 8 1 0.999 ? ? ? ? 0.019 ? ? ? ? ? ? ? ? ? 
# 
_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                                 9KL1 
_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                            1.60 
_refine.ls_d_res_low                             31.10 
_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                     8323 
_refine.ls_number_reflns_R_free                  835 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.62 
_refine.ls_percent_reflns_R_free                 10.03 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1972 
_refine.ls_R_factor_R_free                       0.2095 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1958 
_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                          1.39 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       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             1.10 
_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                 31.27 
_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                            0.16 
_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.pdbx_number_atoms_protein        0 
_refine_hist.pdbx_number_atoms_nucleic_acid   374 
_refine_hist.pdbx_number_atoms_ligand         14 
_refine_hist.number_atoms_solvent             49 
_refine_hist.number_atoms_total               437 
_refine_hist.d_res_high                       1.60 
_refine_hist.d_res_low                        31.10 
# 
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' ? 0.032  ? ?   ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.228  ? ?   ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 13.111 ? 189 ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.071  ? 78  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.007  ? 18  ? 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' 1.60 1.70  . . 131 1236 99.00  . . . . 0.2432 . . . . . . . . . . . 0.2563 
'X-RAY DIFFRACTION' 1.70 1.83  . . 138 1235 100.00 . . . . 0.1951 . . . . . . . . . . . 0.2310 
'X-RAY DIFFRACTION' 1.83 2.01  . . 142 1239 100.00 . . . . 0.2404 . . . . . . . . . . . 0.2409 
'X-RAY DIFFRACTION' 2.01 2.30  . . 136 1264 100.00 . . . . 0.2511 . . . . . . . . . . . 0.2559 
'X-RAY DIFFRACTION' 2.30 2.90  . . 146 1246 100.00 . . . . 0.2511 . . . . . . . . . . . 0.2693 
'X-RAY DIFFRACTION' 2.90 31.10 . . 142 1268 100.00 . . . . 0.1546 . . . . . . . . . . . 0.1691 
# 
_struct.entry_id                     9KL1 
_struct.title                        
'Crystal structure of DNA/RNA duplex obtained using the counter diffusion method in space (Na form)' 
_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        9KL1 
_struct_keywords.text            'counter diffusion method, DNA-RNA complex' 
_struct_keywords.pdbx_keywords   DNA/RNA 
# 
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 4 ? 
# 
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 9KL1 9KL1 ? 1 ? 1 
2 PDB 9KL1 9KL1 ? 2 ? 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 9KL1 A 1 ? 9 ? 9KL1 1 ? 9 ? 1 9 
2 2 9KL1 B 1 ? 9 ? 9KL1 1 ? 9 ? 1 9 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 1680 ? 
1 MORE         1    ? 
1 'SSA (A^2)'  3490 ? 
# 
_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 
# 
_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 ? B 5CM 1 "O3'" ? ? ? 1_555 B DT  2 P  ? ? B 5CM 1 B DT  2 1_555 ? ? ? ? ? ? ?            1.607 ? ? 
covale2  covale both ? B DT  8 "O3'" ? ? ? 1_555 B 5CM 9 P  ? ? B DT  8 B 5CM 9 1_555 ? ? ? ? ? ? ?            1.606 ? ? 
hydrog1  hydrog ?    ? A G   1 N1    ? ? ? 1_555 B 5CM 9 N3 ? ? A G   1 B 5CM 9 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog2  hydrog ?    ? A G   1 N2    ? ? ? 1_555 B 5CM 9 O2 ? ? A G   1 B 5CM 9 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog3  hydrog ?    ? A G   1 O6    ? ? ? 1_555 B 5CM 9 N4 ? ? A G   1 B 5CM 9 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog4  hydrog ?    ? A A   2 N1    ? ? ? 1_555 B DT  8 N3 ? ? A A   2 B DT  8 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog5  hydrog ?    ? A A   2 N6    ? ? ? 1_555 B DT  8 O4 ? ? A A   2 B DT  8 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog6  hydrog ?    ? A A   3 N1    ? ? ? 1_555 B DT  7 N3 ? ? A A   3 B DT  7 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog7  hydrog ?    ? A A   3 N6    ? ? ? 1_555 B DT  7 O4 ? ? A A   3 B DT  7 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog8  hydrog ?    ? A G   4 N1    ? ? ? 1_555 B DC  6 N3 ? ? A G   4 B DC  6 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog9  hydrog ?    ? A G   4 N2    ? ? ? 1_555 B DC  6 O2 ? ? A G   4 B DC  6 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog10 hydrog ?    ? A G   4 O6    ? ? ? 1_555 B DC  6 N4 ? ? A G   4 B DC  6 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog11 hydrog ?    ? A A   5 N1    ? ? ? 1_555 B DT  5 N3 ? ? A A   5 B DT  5 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog12 hydrog ?    ? A A   5 N6    ? ? ? 1_555 B DT  5 O4 ? ? A A   5 B DT  5 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog13 hydrog ?    ? A A   6 N1    ? ? ? 1_555 B DT  4 N3 ? ? A A   6 B DT  4 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog14 hydrog ?    ? A A   6 N6    ? ? ? 1_555 B DT  4 O4 ? ? A A   6 B DT  4 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog15 hydrog ?    ? A G   7 N1    ? ? ? 1_555 B DC  3 N3 ? ? A G   7 B DC  3 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog16 hydrog ?    ? A G   7 N2    ? ? ? 1_555 B DC  3 O2 ? ? A G   7 B DC  3 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog17 hydrog ?    ? A G   7 O6    ? ? ? 1_555 B DC  3 N4 ? ? A G   7 B DC  3 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog18 hydrog ?    ? A A   8 N1    ? ? ? 1_555 B DT  2 N3 ? ? A A   8 B DT  2 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog19 hydrog ?    ? A A   8 N6    ? ? ? 1_555 B DT  2 O4 ? ? A A   8 B DT  2 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog20 hydrog ?    ? A G   9 N1    ? ? ? 1_555 B 5CM 1 N3 ? ? A G   9 B 5CM 1 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog21 hydrog ?    ? A G   9 N2    ? ? ? 1_555 B 5CM 1 O2 ? ? A G   9 B 5CM 1 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog22 hydrog ?    ? A G   9 O6    ? ? ? 1_555 B 5CM 1 N4 ? ? A G   9 B 5CM 1 1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
covale ? ? 
hydrog ? ? 
# 
_pdbx_entry_details.entry_id                   9KL1 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     N 
_pdbx_entry_details.has_protein_modification   N 
# 
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 
5CM N1     N N N 1   
5CM C2     C N N 2   
5CM N3     N N N 3   
5CM C4     C N N 4   
5CM C5     C N N 5   
5CM C5A    C N N 6   
5CM C6     C N N 7   
5CM O2     O N N 8   
5CM N4     N N N 9   
5CM "C1'"  C N R 10  
5CM "C2'"  C N N 11  
5CM "C3'"  C N S 12  
5CM "C4'"  C N R 13  
5CM "O4'"  O N N 14  
5CM "O3'"  O N N 15  
5CM "C5'"  C N N 16  
5CM "O5'"  O N N 17  
5CM P      P N N 18  
5CM OP1    O N N 19  
5CM OP2    O N N 20  
5CM OP3    O N N 21  
5CM H5A1   H N N 22  
5CM H5A2   H N N 23  
5CM H5A3   H N N 24  
5CM H6     H N N 25  
5CM HN41   H N N 26  
5CM HN42   H N N 27  
5CM "H1'"  H N N 28  
5CM "H2'"  H N N 29  
5CM "H2''" H N N 30  
5CM "H3'"  H N N 31  
5CM "H4'"  H N N 32  
5CM "HO3'" H N N 33  
5CM "H5'"  H N N 34  
5CM "H5''" H N N 35  
5CM HOP2   H N N 36  
5CM HOP3   H N N 37  
A   OP3    O N N 38  
A   P      P N N 39  
A   OP1    O N N 40  
A   OP2    O N N 41  
A   "O5'"  O N N 42  
A   "C5'"  C N N 43  
A   "C4'"  C N R 44  
A   "O4'"  O N N 45  
A   "C3'"  C N S 46  
A   "O3'"  O N N 47  
A   "C2'"  C N R 48  
A   "O2'"  O N N 49  
A   "C1'"  C N R 50  
A   N9     N Y N 51  
A   C8     C Y N 52  
A   N7     N Y N 53  
A   C5     C Y N 54  
A   C6     C Y N 55  
A   N6     N N N 56  
A   N1     N Y N 57  
A   C2     C Y N 58  
A   N3     N Y N 59  
A   C4     C Y N 60  
A   HOP3   H N N 61  
A   HOP2   H N N 62  
A   "H5'"  H N N 63  
A   "H5''" H N N 64  
A   "H4'"  H N N 65  
A   "H3'"  H N N 66  
A   "HO3'" H N N 67  
A   "H2'"  H N N 68  
A   "HO2'" H N N 69  
A   "H1'"  H N N 70  
A   H8     H N N 71  
A   H61    H N N 72  
A   H62    H N N 73  
A   H2     H N N 74  
DC  OP3    O N N 75  
DC  P      P N N 76  
DC  OP1    O N N 77  
DC  OP2    O N N 78  
DC  "O5'"  O N N 79  
DC  "C5'"  C N N 80  
DC  "C4'"  C N R 81  
DC  "O4'"  O N N 82  
DC  "C3'"  C N S 83  
DC  "O3'"  O N N 84  
DC  "C2'"  C N N 85  
DC  "C1'"  C N R 86  
DC  N1     N N N 87  
DC  C2     C N N 88  
DC  O2     O N N 89  
DC  N3     N N N 90  
DC  C4     C N N 91  
DC  N4     N N N 92  
DC  C5     C N N 93  
DC  C6     C N N 94  
DC  HOP3   H N N 95  
DC  HOP2   H N N 96  
DC  "H5'"  H N N 97  
DC  "H5''" H N N 98  
DC  "H4'"  H N N 99  
DC  "H3'"  H N N 100 
DC  "HO3'" H N N 101 
DC  "H2'"  H N N 102 
DC  "H2''" H N N 103 
DC  "H1'"  H N N 104 
DC  H41    H N N 105 
DC  H42    H N N 106 
DC  H5     H N N 107 
DC  H6     H N N 108 
DT  OP3    O N N 109 
DT  P      P N N 110 
DT  OP1    O N N 111 
DT  OP2    O N N 112 
DT  "O5'"  O N N 113 
DT  "C5'"  C N N 114 
DT  "C4'"  C N R 115 
DT  "O4'"  O N N 116 
DT  "C3'"  C N S 117 
DT  "O3'"  O N N 118 
DT  "C2'"  C N N 119 
DT  "C1'"  C N R 120 
DT  N1     N N N 121 
DT  C2     C N N 122 
DT  O2     O N N 123 
DT  N3     N N N 124 
DT  C4     C N N 125 
DT  O4     O N N 126 
DT  C5     C N N 127 
DT  C7     C N N 128 
DT  C6     C N N 129 
DT  HOP3   H N N 130 
DT  HOP2   H N N 131 
DT  "H5'"  H N N 132 
DT  "H5''" H N N 133 
DT  "H4'"  H N N 134 
DT  "H3'"  H N N 135 
DT  "HO3'" H N N 136 
DT  "H2'"  H N N 137 
DT  "H2''" H N N 138 
DT  "H1'"  H N N 139 
DT  H3     H N N 140 
DT  H71    H N N 141 
DT  H72    H N N 142 
DT  H73    H N N 143 
DT  H6     H N N 144 
G   OP3    O N N 145 
G   P      P N N 146 
G   OP1    O N N 147 
G   OP2    O N N 148 
G   "O5'"  O N N 149 
G   "C5'"  C N N 150 
G   "C4'"  C N R 151 
G   "O4'"  O N N 152 
G   "C3'"  C N S 153 
G   "O3'"  O N N 154 
G   "C2'"  C N R 155 
G   "O2'"  O N N 156 
G   "C1'"  C N R 157 
G   N9     N Y N 158 
G   C8     C Y N 159 
G   N7     N Y N 160 
G   C5     C Y N 161 
G   C6     C N N 162 
G   O6     O N N 163 
G   N1     N N N 164 
G   C2     C N N 165 
G   N2     N N N 166 
G   N3     N N N 167 
G   C4     C Y N 168 
G   HOP3   H N N 169 
G   HOP2   H N N 170 
G   "H5'"  H N N 171 
G   "H5''" H N N 172 
G   "H4'"  H N N 173 
G   "H3'"  H N N 174 
G   "HO3'" H N N 175 
G   "H2'"  H N N 176 
G   "HO2'" H N N 177 
G   "H1'"  H N N 178 
G   H8     H N N 179 
G   H1     H N N 180 
G   H21    H N N 181 
G   H22    H N N 182 
HOH O      O N N 183 
HOH H1     H N N 184 
HOH H2     H N N 185 
SPM N1     N N N 186 
SPM C2     C N N 187 
SPM C3     C N N 188 
SPM C4     C N N 189 
SPM N5     N N N 190 
SPM C6     C N N 191 
SPM C7     C N N 192 
SPM C8     C N N 193 
SPM C9     C N N 194 
SPM N10    N N N 195 
SPM C11    C N N 196 
SPM C12    C N N 197 
SPM C13    C N N 198 
SPM N14    N N N 199 
SPM HN11   H N N 200 
SPM HN12   H N N 201 
SPM H21    H N N 202 
SPM H22    H N N 203 
SPM H31    H N N 204 
SPM H32    H N N 205 
SPM H41    H N N 206 
SPM H42    H N N 207 
SPM HN5    H N N 208 
SPM H61    H N N 209 
SPM H62    H N N 210 
SPM H71    H N N 211 
SPM H72    H N N 212 
SPM H81    H N N 213 
SPM H82    H N N 214 
SPM H91    H N N 215 
SPM H92    H N N 216 
SPM HN0    H N N 217 
SPM H111   H N N 218 
SPM H112   H N N 219 
SPM H121   H N N 220 
SPM H122   H N N 221 
SPM H131   H N N 222 
SPM H132   H N N 223 
SPM HN41   H N N 224 
SPM HN42   H N N 225 
# 
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 
5CM N1    C2     sing N N 1   
5CM N1    C6     sing N N 2   
5CM N1    "C1'"  sing N N 3   
5CM C2    N3     sing N N 4   
5CM C2    O2     doub N N 5   
5CM N3    C4     doub N N 6   
5CM C4    C5     sing N N 7   
5CM C4    N4     sing N N 8   
5CM C5    C5A    sing N N 9   
5CM C5    C6     doub N N 10  
5CM C5A   H5A1   sing N N 11  
5CM C5A   H5A2   sing N N 12  
5CM C5A   H5A3   sing N N 13  
5CM C6    H6     sing N N 14  
5CM N4    HN41   sing N N 15  
5CM N4    HN42   sing N N 16  
5CM "C1'" "C2'"  sing N N 17  
5CM "C1'" "O4'"  sing N N 18  
5CM "C1'" "H1'"  sing N N 19  
5CM "C2'" "C3'"  sing N N 20  
5CM "C2'" "H2'"  sing N N 21  
5CM "C2'" "H2''" sing N N 22  
5CM "C3'" "C4'"  sing N N 23  
5CM "C3'" "O3'"  sing N N 24  
5CM "C3'" "H3'"  sing N N 25  
5CM "C4'" "O4'"  sing N N 26  
5CM "C4'" "C5'"  sing N N 27  
5CM "C4'" "H4'"  sing N N 28  
5CM "O3'" "HO3'" sing N N 29  
5CM "C5'" "O5'"  sing N N 30  
5CM "C5'" "H5'"  sing N N 31  
5CM "C5'" "H5''" sing N N 32  
5CM "O5'" P      sing N N 33  
5CM P     OP1    doub N N 34  
5CM P     OP2    sing N N 35  
5CM P     OP3    sing N N 36  
5CM OP2   HOP2   sing N N 37  
5CM OP3   HOP3   sing N N 38  
A   OP3   P      sing N N 39  
A   OP3   HOP3   sing N N 40  
A   P     OP1    doub N N 41  
A   P     OP2    sing N N 42  
A   P     "O5'"  sing N N 43  
A   OP2   HOP2   sing N N 44  
A   "O5'" "C5'"  sing N N 45  
A   "C5'" "C4'"  sing N N 46  
A   "C5'" "H5'"  sing N N 47  
A   "C5'" "H5''" sing N N 48  
A   "C4'" "O4'"  sing N N 49  
A   "C4'" "C3'"  sing N N 50  
A   "C4'" "H4'"  sing N N 51  
A   "O4'" "C1'"  sing N N 52  
A   "C3'" "O3'"  sing N N 53  
A   "C3'" "C2'"  sing N N 54  
A   "C3'" "H3'"  sing N N 55  
A   "O3'" "HO3'" sing N N 56  
A   "C2'" "O2'"  sing N N 57  
A   "C2'" "C1'"  sing N N 58  
A   "C2'" "H2'"  sing N N 59  
A   "O2'" "HO2'" sing N N 60  
A   "C1'" N9     sing N N 61  
A   "C1'" "H1'"  sing N N 62  
A   N9    C8     sing Y N 63  
A   N9    C4     sing Y N 64  
A   C8    N7     doub Y N 65  
A   C8    H8     sing N N 66  
A   N7    C5     sing Y N 67  
A   C5    C6     sing Y N 68  
A   C5    C4     doub Y N 69  
A   C6    N6     sing N N 70  
A   C6    N1     doub Y N 71  
A   N6    H61    sing N N 72  
A   N6    H62    sing N N 73  
A   N1    C2     sing Y N 74  
A   C2    N3     doub Y N 75  
A   C2    H2     sing N N 76  
A   N3    C4     sing Y N 77  
DC  OP3   P      sing N N 78  
DC  OP3   HOP3   sing N N 79  
DC  P     OP1    doub N N 80  
DC  P     OP2    sing N N 81  
DC  P     "O5'"  sing N N 82  
DC  OP2   HOP2   sing N N 83  
DC  "O5'" "C5'"  sing N N 84  
DC  "C5'" "C4'"  sing N N 85  
DC  "C5'" "H5'"  sing N N 86  
DC  "C5'" "H5''" sing N N 87  
DC  "C4'" "O4'"  sing N N 88  
DC  "C4'" "C3'"  sing N N 89  
DC  "C4'" "H4'"  sing N N 90  
DC  "O4'" "C1'"  sing N N 91  
DC  "C3'" "O3'"  sing N N 92  
DC  "C3'" "C2'"  sing N N 93  
DC  "C3'" "H3'"  sing N N 94  
DC  "O3'" "HO3'" sing N N 95  
DC  "C2'" "C1'"  sing N N 96  
DC  "C2'" "H2'"  sing N N 97  
DC  "C2'" "H2''" sing N N 98  
DC  "C1'" N1     sing N N 99  
DC  "C1'" "H1'"  sing N N 100 
DC  N1    C2     sing N N 101 
DC  N1    C6     sing N N 102 
DC  C2    O2     doub N N 103 
DC  C2    N3     sing N N 104 
DC  N3    C4     doub N N 105 
DC  C4    N4     sing N N 106 
DC  C4    C5     sing N N 107 
DC  N4    H41    sing N N 108 
DC  N4    H42    sing N N 109 
DC  C5    C6     doub N N 110 
DC  C5    H5     sing N N 111 
DC  C6    H6     sing N N 112 
DT  OP3   P      sing N N 113 
DT  OP3   HOP3   sing N N 114 
DT  P     OP1    doub N N 115 
DT  P     OP2    sing N N 116 
DT  P     "O5'"  sing N N 117 
DT  OP2   HOP2   sing N N 118 
DT  "O5'" "C5'"  sing N N 119 
DT  "C5'" "C4'"  sing N N 120 
DT  "C5'" "H5'"  sing N N 121 
DT  "C5'" "H5''" sing N N 122 
DT  "C4'" "O4'"  sing N N 123 
DT  "C4'" "C3'"  sing N N 124 
DT  "C4'" "H4'"  sing N N 125 
DT  "O4'" "C1'"  sing N N 126 
DT  "C3'" "O3'"  sing N N 127 
DT  "C3'" "C2'"  sing N N 128 
DT  "C3'" "H3'"  sing N N 129 
DT  "O3'" "HO3'" sing N N 130 
DT  "C2'" "C1'"  sing N N 131 
DT  "C2'" "H2'"  sing N N 132 
DT  "C2'" "H2''" sing N N 133 
DT  "C1'" N1     sing N N 134 
DT  "C1'" "H1'"  sing N N 135 
DT  N1    C2     sing N N 136 
DT  N1    C6     sing N N 137 
DT  C2    O2     doub N N 138 
DT  C2    N3     sing N N 139 
DT  N3    C4     sing N N 140 
DT  N3    H3     sing N N 141 
DT  C4    O4     doub N N 142 
DT  C4    C5     sing N N 143 
DT  C5    C7     sing N N 144 
DT  C5    C6     doub N N 145 
DT  C7    H71    sing N N 146 
DT  C7    H72    sing N N 147 
DT  C7    H73    sing N N 148 
DT  C6    H6     sing N N 149 
G   OP3   P      sing N N 150 
G   OP3   HOP3   sing N N 151 
G   P     OP1    doub N N 152 
G   P     OP2    sing N N 153 
G   P     "O5'"  sing N N 154 
G   OP2   HOP2   sing N N 155 
G   "O5'" "C5'"  sing N N 156 
G   "C5'" "C4'"  sing N N 157 
G   "C5'" "H5'"  sing N N 158 
G   "C5'" "H5''" sing N N 159 
G   "C4'" "O4'"  sing N N 160 
G   "C4'" "C3'"  sing N N 161 
G   "C4'" "H4'"  sing N N 162 
G   "O4'" "C1'"  sing N N 163 
G   "C3'" "O3'"  sing N N 164 
G   "C3'" "C2'"  sing N N 165 
G   "C3'" "H3'"  sing N N 166 
G   "O3'" "HO3'" sing N N 167 
G   "C2'" "O2'"  sing N N 168 
G   "C2'" "C1'"  sing N N 169 
G   "C2'" "H2'"  sing N N 170 
G   "O2'" "HO2'" sing N N 171 
G   "C1'" N9     sing N N 172 
G   "C1'" "H1'"  sing N N 173 
G   N9    C8     sing Y N 174 
G   N9    C4     sing Y N 175 
G   C8    N7     doub Y N 176 
G   C8    H8     sing N N 177 
G   N7    C5     sing Y N 178 
G   C5    C6     sing N N 179 
G   C5    C4     doub Y N 180 
G   C6    O6     doub N N 181 
G   C6    N1     sing N N 182 
G   N1    C2     sing N N 183 
G   N1    H1     sing N N 184 
G   C2    N2     sing N N 185 
G   C2    N3     doub N N 186 
G   N2    H21    sing N N 187 
G   N2    H22    sing N N 188 
G   N3    C4     sing N N 189 
HOH O     H1     sing N N 190 
HOH O     H2     sing N N 191 
SPM N1    C2     sing N N 192 
SPM N1    HN11   sing N N 193 
SPM N1    HN12   sing N N 194 
SPM C2    C3     sing N N 195 
SPM C2    H21    sing N N 196 
SPM C2    H22    sing N N 197 
SPM C3    C4     sing N N 198 
SPM C3    H31    sing N N 199 
SPM C3    H32    sing N N 200 
SPM C4    N5     sing N N 201 
SPM C4    H41    sing N N 202 
SPM C4    H42    sing N N 203 
SPM N5    C6     sing N N 204 
SPM N5    HN5    sing N N 205 
SPM C6    C7     sing N N 206 
SPM C6    H61    sing N N 207 
SPM C6    H62    sing N N 208 
SPM C7    C8     sing N N 209 
SPM C7    H71    sing N N 210 
SPM C7    H72    sing N N 211 
SPM C8    C9     sing N N 212 
SPM C8    H81    sing N N 213 
SPM C8    H82    sing N N 214 
SPM C9    N10    sing N N 215 
SPM C9    H91    sing N N 216 
SPM C9    H92    sing N N 217 
SPM N10   C11    sing N N 218 
SPM N10   HN0    sing N N 219 
SPM C11   C12    sing N N 220 
SPM C11   H111   sing N N 221 
SPM C11   H112   sing N N 222 
SPM C12   C13    sing N N 223 
SPM C12   H121   sing N N 224 
SPM C12   H122   sing N N 225 
SPM C13   N14    sing N N 226 
SPM C13   H131   sing N N 227 
SPM C13   H132   sing N N 228 
SPM N14   HN41   sing N N 229 
SPM N14   HN42   sing N N 230 
# 
_ndb_struct_conf_na.entry_id   9KL1 
_ndb_struct_conf_na.feature    'a-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 G 1 1_555 B 5CM 9 1_555 -0.380 -0.158 -0.246 -10.520 -13.150 1.521  1 A_G1:5CM9_B A 1 ? B 9 ? 19 1 
1 A A 2 1_555 B DT  8 1_555 0.049  -0.122 -0.060 -6.745  -14.637 2.554  2 A_A2:DT8_B  A 2 ? B 8 ? 20 1 
1 A A 3 1_555 B DT  7 1_555 -0.075 -0.109 0.038  -5.046  -18.075 5.011  3 A_A3:DT7_B  A 3 ? B 7 ? 20 1 
1 A G 4 1_555 B DC  6 1_555 -0.180 -0.219 -0.113 -11.329 -10.849 -2.327 4 A_G4:DC6_B  A 4 ? B 6 ? 19 1 
1 A A 5 1_555 B DT  5 1_555 0.103  -0.046 -0.198 -11.104 -7.487  -3.027 5 A_A5:DT5_B  A 5 ? B 5 ? 20 1 
1 A A 6 1_555 B DT  4 1_555 0.058  -0.199 0.175  0.573   -6.559  0.681  6 A_A6:DT4_B  A 6 ? B 4 ? 20 1 
1 A G 7 1_555 B DC  3 1_555 -0.262 -0.011 0.010  -2.959  -13.859 2.698  7 A_G7:DC3_B  A 7 ? B 3 ? 19 1 
1 A A 8 1_555 B DT  2 1_555 -0.054 -0.174 -0.055 -2.041  -4.361  -2.123 8 A_A8:DT2_B  A 8 ? B 2 ? 20 1 
1 A G 9 1_555 B 5CM 1 1_555 -0.183 -0.123 0.008  6.129   0.359   2.257  9 A_G9:5CM1_B A 9 ? B 1 ? 19 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 G 1 1_555 B 5CM 9 1_555 A A 2 1_555 B DT  8 1_555 0.396  -1.110 3.204 -0.371 2.917  36.742 -2.137 -0.676 3.106 4.618  0.588  
36.856 1 AA_G1A2:DT85CM9_BB A 1 ? B 9 ? A 2 ? B 8 ? 
1 A A 2 1_555 B DT  8 1_555 A A 3 1_555 B DT  7 1_555 0.372  -1.255 3.242 0.283  3.775  31.493 -2.969 -0.630 3.077 6.924  -0.520 
31.714 2 AA_A2A3:DT7DT8_BB  A 2 ? B 8 ? A 3 ? B 7 ? 
1 A A 3 1_555 B DT  7 1_555 A G 4 1_555 B DC  6 1_555 -1.270 -1.316 3.388 -3.021 11.275 36.245 -3.448 1.567  2.955 17.572 4.708  
38.019 3 AA_A3G4:DC6DT7_BB  A 3 ? B 7 ? A 4 ? B 6 ? 
1 A G 4 1_555 B DC  6 1_555 A A 5 1_555 B DT  5 1_555 0.924  -1.794 3.334 4.917  12.909 29.792 -5.257 -0.846 2.483 23.578 -8.981 
32.773 4 AA_G4A5:DT5DC6_BB  A 4 ? B 6 ? A 5 ? B 5 ? 
1 A A 5 1_555 B DT  5 1_555 A A 6 1_555 B DT  4 1_555 0.507  -1.513 3.066 -0.917 2.413  26.168 -3.919 -1.341 2.898 5.313  2.020  
26.292 5 AA_A5A6:DT4DT5_BB  A 5 ? B 5 ? A 6 ? B 4 ? 
1 A A 6 1_555 B DT  4 1_555 A G 7 1_555 B DC  3 1_555 0.452  -1.675 3.453 1.225  4.722  30.049 -4.153 -0.612 3.174 9.032  -2.343 
30.434 6 AA_A6G7:DC3DT4_BB  A 6 ? B 4 ? A 7 ? B 3 ? 
1 A G 7 1_555 B DC  3 1_555 A A 8 1_555 B DT  2 1_555 -1.065 -1.523 3.206 -1.310 8.257  36.135 -3.432 1.511  2.837 13.097 2.078  
37.058 7 AA_G7A8:DT2DC3_BB  A 7 ? B 3 ? A 8 ? B 2 ? 
1 A A 8 1_555 B DT  2 1_555 A G 9 1_555 B 5CM 1 1_555 0.758  -1.934 3.120 1.039  0.942  27.518 -4.279 -1.350 3.079 1.978  -2.183 
27.553 8 AA_A8G9:5CM1DT2_BB A 8 ? B 2 ? A 9 ? B 1 ? 
# 
_pdbx_audit_support.funding_organization   'Japan Agency for Medical Research and Development (AMED)' 
_pdbx_audit_support.country                Japan 
_pdbx_audit_support.grant_number           JP23ama121014 
_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   4U6M 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9KL1 
_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]   0.020402 
_atom_sites.fract_transf_matrix[1][2]   0.011779 
_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]   0.023558 
_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]   0.021879 
_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 
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   O "O5'" . G   A 1 1 ? -16.657 -7.809  4.344   1.00 38.63 ? 1   G   A "O5'" 1 
ATOM   2   C "C5'" . G   A 1 1 ? -17.899 -7.239  4.737   1.00 33.53 ? 1   G   A "C5'" 1 
ATOM   3   C "C4'" . G   A 1 1 ? -18.895 -7.239  3.603   1.00 31.85 ? 1   G   A "C4'" 1 
ATOM   4   O "O4'" . G   A 1 1 ? -18.445 -6.341  2.560   1.00 30.88 ? 1   G   A "O4'" 1 
ATOM   5   C "C3'" . G   A 1 1 ? -19.080 -8.568  2.891   1.00 31.37 ? 1   G   A "C3'" 1 
ATOM   6   O "O3'" . G   A 1 1 ? -19.979 -9.424  3.558   1.00 33.38 ? 1   G   A "O3'" 1 
ATOM   7   C "C2'" . G   A 1 1 ? -19.555 -8.154  1.506   1.00 30.52 ? 1   G   A "C2'" 1 
ATOM   8   O "O2'" . G   A 1 1 ? -20.942 -7.841  1.510   1.00 30.58 ? 1   G   A "O2'" 1 
ATOM   9   C "C1'" . G   A 1 1 ? -18.768 -6.869  1.290   1.00 29.71 ? 1   G   A "C1'" 1 
ATOM   10  N N9    . G   A 1 1 ? -17.518 -7.100  0.542   1.00 28.03 ? 1   G   A N9    1 
ATOM   11  C C8    . G   A 1 1 ? -16.228 -7.021  1.004   1.00 29.15 ? 1   G   A C8    1 
ATOM   12  N N7    . G   A 1 1 ? -15.326 -7.274  0.088   1.00 27.99 ? 1   G   A N7    1 
ATOM   13  C C5    . G   A 1 1 ? -16.075 -7.532  -1.055  1.00 26.78 ? 1   G   A C5    1 
ATOM   14  C C6    . G   A 1 1 ? -15.663 -7.864  -2.369  1.00 25.67 ? 1   G   A C6    1 
ATOM   15  O O6    . G   A 1 1 ? -14.529 -8.007  -2.829  1.00 25.93 ? 1   G   A O6    1 
ATOM   16  N N1    . G   A 1 1 ? -16.755 -8.041  -3.201  1.00 23.72 ? 1   G   A N1    1 
ATOM   17  C C2    . G   A 1 1 ? -18.072 -7.916  -2.844  1.00 23.73 ? 1   G   A C2    1 
ATOM   18  N N2    . G   A 1 1 ? -18.965 -8.136  -3.823  1.00 25.24 ? 1   G   A N2    1 
ATOM   19  N N3    . G   A 1 1 ? -18.475 -7.604  -1.622  1.00 27.07 ? 1   G   A N3    1 
ATOM   20  C C4    . G   A 1 1 ? -17.424 -7.427  -0.793  1.00 25.50 ? 1   G   A C4    1 
ATOM   21  P P     . A   A 1 2 ? -19.655 -10.985 3.633   1.00 32.31 ? 2   A   A P     1 
ATOM   22  O OP1   . A   A 1 2 ? -20.609 -11.616 4.583   1.00 41.21 ? 2   A   A OP1   1 
ATOM   23  O OP2   . A   A 1 2 ? -18.184 -11.098 3.824   1.00 32.81 ? 2   A   A OP2   1 
ATOM   24  O "O5'" . A   A 1 2 ? -20.009 -11.516 2.178   1.00 31.76 ? 2   A   A "O5'" 1 
ATOM   25  C "C5'" . A   A 1 2 ? -21.333 -11.418 1.686   1.00 28.99 ? 2   A   A "C5'" 1 
ATOM   26  C "C4'" . A   A 1 2 ? -21.378 -11.560 0.189   1.00 29.53 ? 2   A   A "C4'" 1 
ATOM   27  O "O4'" . A   A 1 2 ? -20.524 -10.568 -0.434  1.00 31.35 ? 2   A   A "O4'" 1 
ATOM   28  C "C3'" . A   A 1 2 ? -20.866 -12.868 -0.376  1.00 27.35 ? 2   A   A "C3'" 1 
ATOM   29  O "O3'" . A   A 1 2 ? -21.816 -13.903 -0.282  1.00 31.50 ? 2   A   A "O3'" 1 
ATOM   30  C "C2'" . A   A 1 2 ? -20.567 -12.490 -1.811  1.00 28.08 ? 2   A   A "C2'" 1 
ATOM   31  O "O2'" . A   A 1 2 ? -21.787 -12.364 -2.521  1.00 30.10 ? 2   A   A "O2'" 1 
ATOM   32  C "C1'" . A   A 1 2 ? -19.991 -11.091 -1.630  1.00 27.65 ? 2   A   A "C1'" 1 
ATOM   33  N N9    . A   A 1 2 ? -18.526 -11.094 -1.523  1.00 23.52 ? 2   A   A N9    1 
ATOM   34  C C8    . A   A 1 2 ? -17.771 -10.934 -0.388  1.00 26.08 ? 2   A   A C8    1 
ATOM   35  N N7    . A   A 1 2 ? -16.480 -10.966 -0.608  1.00 25.00 ? 2   A   A N7    1 
ATOM   36  C C5    . A   A 1 2 ? -16.383 -11.160 -1.979  1.00 24.88 ? 2   A   A C5    1 
ATOM   37  C C6    . A   A 1 2 ? -15.279 -11.288 -2.827  1.00 22.00 ? 2   A   A C6    1 
ATOM   38  N N6    . A   A 1 2 ? -14.015 -11.221 -2.408  1.00 25.08 ? 2   A   A N6    1 
ATOM   39  N N1    . A   A 1 2 ? -15.522 -11.474 -4.143  1.00 20.47 ? 2   A   A N1    1 
ATOM   40  C C2    . A   A 1 2 ? -16.795 -11.534 -4.554  1.00 21.60 ? 2   A   A C2    1 
ATOM   41  N N3    . A   A 1 2 ? -17.916 -11.429 -3.848  1.00 23.69 ? 2   A   A N3    1 
ATOM   42  C C4    . A   A 1 2 ? -17.634 -11.248 -2.550  1.00 24.02 ? 2   A   A C4    1 
ATOM   43  P P     . A   A 1 3 ? -21.330 -15.430 -0.173  1.00 31.01 ? 3   A   A P     1 
ATOM   44  O OP1   . A   A 1 3 ? -22.554 -16.243 0.010   1.00 33.11 ? 3   A   A OP1   1 
ATOM   45  O OP2   . A   A 1 3 ? -20.240 -15.525 0.822   1.00 31.40 ? 3   A   A OP2   1 
ATOM   46  O "O5'" . A   A 1 3 ? -20.752 -15.778 -1.617  1.00 30.57 ? 3   A   A "O5'" 1 
ATOM   47  C "C5'" . A   A 1 3 ? -21.599 -15.857 -2.754  1.00 28.05 ? 3   A   A "C5'" 1 
ATOM   48  C "C4'" . A   A 1 3 ? -20.794 -15.878 -4.029  1.00 27.23 ? 3   A   A "C4'" 1 
ATOM   49  O "O4'" . A   A 1 3 ? -19.898 -14.737 -4.061  1.00 27.31 ? 3   A   A "O4'" 1 
ATOM   50  C "C3'" . A   A 1 3 ? -19.872 -17.072 -4.226  1.00 27.05 ? 3   A   A "C3'" 1 
ATOM   51  O "O3'" . A   A 1 3 ? -20.540 -18.206 -4.737  1.00 28.56 ? 3   A   A "O3'" 1 
ATOM   52  C "C2'" . A   A 1 3 ? -18.837 -16.532 -5.193  1.00 27.34 ? 3   A   A "C2'" 1 
ATOM   53  O "O2'" . A   A 1 3 ? -19.362 -16.514 -6.513  1.00 29.12 ? 3   A   A "O2'" 1 
ATOM   54  C "C1'" . A   A 1 3 ? -18.698 -15.093 -4.713  1.00 25.95 ? 3   A   A "C1'" 1 
ATOM   55  N N9    . A   A 1 3 ? -17.585 -14.928 -3.767  1.00 23.00 ? 3   A   A N9    1 
ATOM   56  C C8    . A   A 1 3 ? -17.586 -14.800 -2.398  1.00 26.17 ? 3   A   A C8    1 
ATOM   57  N N7    . A   A 1 3 ? -16.381 -14.653 -1.885  1.00 23.53 ? 3   A   A N7    1 
ATOM   58  C C5    . A   A 1 3 ? -15.553 -14.688 -3.002  1.00 22.76 ? 3   A   A C5    1 
ATOM   59  C C6    . A   A 1 3 ? -14.167 -14.591 -3.163  1.00 22.28 ? 3   A   A C6    1 
ATOM   60  N N6    . A   A 1 3 ? -13.313 -14.409 -2.149  1.00 21.78 ? 3   A   A N6    1 
ATOM   61  N N1    . A   A 1 3 ? -13.678 -14.663 -4.423  1.00 19.94 ? 3   A   A N1    1 
ATOM   62  C C2    . A   A 1 3 ? -14.516 -14.833 -5.457  1.00 21.75 ? 3   A   A C2    1 
ATOM   63  N N3    . A   A 1 3 ? -15.841 -14.940 -5.424  1.00 22.56 ? 3   A   A N3    1 
ATOM   64  C C4    . A   A 1 3 ? -16.284 -14.858 -4.155  1.00 23.08 ? 3   A   A C4    1 
ATOM   65  P P     . G   A 1 4 ? -19.874 -19.655 -4.591  1.00 31.08 ? 4   G   A P     1 
ATOM   66  O OP1   . G   A 1 4 ? -20.905 -20.672 -4.932  1.00 34.98 ? 4   G   A OP1   1 
ATOM   67  O OP2   . G   A 1 4 ? -19.189 -19.717 -3.271  1.00 32.58 ? 4   G   A OP2   1 
ATOM   68  O "O5'" . G   A 1 4 ? -18.748 -19.691 -5.717  1.00 30.11 ? 4   G   A "O5'" 1 
ATOM   69  C "C5'" . G   A 1 4 ? -19.053 -20.020 -7.061  1.00 30.92 ? 4   G   A "C5'" 1 
ATOM   70  C "C4'" . G   A 1 4 ? -17.791 -20.229 -7.863  1.00 30.90 ? 4   G   A "C4'" 1 
ATOM   71  O "O4'" . G   A 1 4 ? -17.001 -19.005 -7.864  1.00 28.33 ? 4   G   A "O4'" 1 
ATOM   72  C "C3'" . G   A 1 4 ? -16.823 -21.276 -7.333  1.00 30.86 ? 4   G   A "C3'" 1 
ATOM   73  O "O3'" . G   A 1 4 ? -17.191 -22.609 -7.626  1.00 36.45 ? 4   G   A "O3'" 1 
ATOM   74  C "C2'" . G   A 1 4 ? -15.516 -20.849 -7.978  1.00 30.33 ? 4   G   A "C2'" 1 
ATOM   75  O "O2'" . G   A 1 4 ? -15.536 -21.155 -9.365  1.00 30.71 ? 4   G   A "O2'" 1 
ATOM   76  C "C1'" . G   A 1 4 ? -15.618 -19.334 -7.830  1.00 27.64 ? 4   G   A "C1'" 1 
ATOM   77  N N9    . G   A 1 4 ? -15.070 -18.885 -6.533  1.00 23.61 ? 4   G   A N9    1 
ATOM   78  C C8    . G   A 1 4 ? -15.817 -18.587 -5.414  1.00 24.31 ? 4   G   A C8    1 
ATOM   79  N N7    . G   A 1 4 ? -15.103 -18.217 -4.391  1.00 24.74 ? 4   G   A N7    1 
ATOM   80  C C5    . G   A 1 4 ? -13.789 -18.284 -4.844  1.00 24.72 ? 4   G   A C5    1 
ATOM   81  C C6    . G   A 1 4 ? -12.578 -17.975 -4.166  1.00 21.58 ? 4   G   A C6    1 
ATOM   82  O O6    . G   A 1 4 ? -12.423 -17.603 -3.002  1.00 23.37 ? 4   G   A O6    1 
ATOM   83  N N1    . G   A 1 4 ? -11.467 -18.162 -4.982  1.00 19.82 ? 4   G   A N1    1 
ATOM   84  C C2    . G   A 1 4 ? -11.516 -18.586 -6.291  1.00 21.22 ? 4   G   A C2    1 
ATOM   85  N N2    . G   A 1 4 ? -10.332 -18.700 -6.910  1.00 23.51 ? 4   G   A N2    1 
ATOM   86  N N3    . G   A 1 4 ? -12.638 -18.862 -6.948  1.00 22.72 ? 4   G   A N3    1 
ATOM   87  C C4    . G   A 1 4 ? -13.742 -18.694 -6.166  1.00 23.32 ? 4   G   A C4    1 
ATOM   88  P P     . A   A 1 5 ? -17.005 -23.742 -6.501  1.00 38.57 ? 5   A   A P     1 
ATOM   89  O OP1   . A   A 1 5 ? -17.386 -25.024 -7.157  1.00 42.36 ? 5   A   A OP1   1 
ATOM   90  O OP2   . A   A 1 5 ? -17.647 -23.286 -5.242  1.00 39.04 ? 5   A   A OP2   1 
ATOM   91  O "O5'" . A   A 1 5 ? -15.439 -23.771 -6.204  1.00 35.02 ? 5   A   A "O5'" 1 
ATOM   92  C "C5'" . A   A 1 5 ? -14.547 -24.368 -7.126  1.00 35.25 ? 5   A   A "C5'" 1 
ATOM   93  C "C4'" . A   A 1 5 ? -13.095 -24.195 -6.741  1.00 33.99 ? 5   A   A "C4'" 1 
ATOM   94  O "O4'" . A   A 1 5 ? -12.758 -22.791 -6.552  1.00 31.88 ? 5   A   A "O4'" 1 
ATOM   95  C "C3'" . A   A 1 5 ? -12.600 -24.831 -5.454  1.00 33.34 ? 5   A   A "C3'" 1 
ATOM   96  O "O3'" . A   A 1 5 ? -12.497 -26.247 -5.483  1.00 34.97 ? 5   A   A "O3'" 1 
ATOM   97  C "C2'" . A   A 1 5 ? -11.265 -24.126 -5.279  1.00 31.88 ? 5   A   A "C2'" 1 
ATOM   98  O "O2'" . A   A 1 5 ? -10.316 -24.600 -6.225  1.00 31.12 ? 5   A   A "O2'" 1 
ATOM   99  C "C1'" . A   A 1 5 ? -11.645 -22.699 -5.677  1.00 29.08 ? 5   A   A "C1'" 1 
ATOM   100 N N9    . A   A 1 5 ? -12.002 -21.934 -4.471  1.00 28.64 ? 5   A   A N9    1 
ATOM   101 C C8    . A   A 1 5 ? -13.237 -21.701 -3.925  1.00 27.98 ? 5   A   A C8    1 
ATOM   102 N N7    . A   A 1 5 ? -13.189 -21.019 -2.810  1.00 26.87 ? 5   A   A N7    1 
ATOM   103 C C5    . A   A 1 5 ? -11.829 -20.801 -2.587  1.00 25.53 ? 5   A   A C5    1 
ATOM   104 C C6    . A   A 1 5 ? -11.118 -20.121 -1.571  1.00 23.44 ? 5   A   A C6    1 
ATOM   105 N N6    . A   A 1 5 ? -11.676 -19.517 -0.525  1.00 22.68 ? 5   A   A N6    1 
ATOM   106 N N1    . A   A 1 5 ? -9.774  -20.079 -1.658  1.00 22.79 ? 5   A   A N1    1 
ATOM   107 C C2    . A   A 1 5 ? -9.205  -20.680 -2.712  1.00 22.92 ? 5   A   A C2    1 
ATOM   108 N N3    . A   A 1 5 ? -9.753  -21.349 -3.721  1.00 24.75 ? 5   A   A N3    1 
ATOM   109 C C4    . A   A 1 5 ? -11.091 -21.369 -3.606  1.00 23.31 ? 5   A   A C4    1 
ATOM   110 P P     . A   A 1 6 ? -12.628 -27.089 -4.113  1.00 41.14 ? 6   A   A P     1 
ATOM   111 O OP1   . A   A 1 6 ? -12.769 -28.523 -4.468  1.00 44.45 ? 6   A   A OP1   1 
ATOM   112 O OP2   . A   A 1 6 ? -13.640 -26.439 -3.242  1.00 38.90 ? 6   A   A OP2   1 
ATOM   113 O "O5'" . A   A 1 6 ? -11.220 -26.917 -3.402  1.00 34.44 ? 6   A   A "O5'" 1 
ATOM   114 C "C5'" . A   A 1 6 ? -10.028 -27.320 -4.049  1.00 35.88 ? 6   A   A "C5'" 1 
ATOM   115 C "C4'" . A   A 1 6 ? -8.825  -26.633 -3.460  1.00 35.20 ? 6   A   A "C4'" 1 
ATOM   116 O "O4'" . A   A 1 6 ? -9.039  -25.198 -3.395  1.00 34.86 ? 6   A   A "O4'" 1 
ATOM   117 C "C3'" . A   A 1 6 ? -8.472  -26.998 -2.035  1.00 35.81 ? 6   A   A "C3'" 1 
ATOM   118 O "O3'" . A   A 1 6 ? -7.835  -28.256 -1.930  1.00 38.45 ? 6   A   A "O3'" 1 
ATOM   119 C "C2'" . A   A 1 6 ? -7.605  -25.818 -1.614  1.00 34.34 ? 6   A   A "C2'" 1 
ATOM   120 O "O2'" . A   A 1 6 ? -6.309  -25.908 -2.188  1.00 35.91 ? 6   A   A "O2'" 1 
ATOM   121 C "C1'" . A   A 1 6 ? -8.345  -24.663 -2.287  1.00 31.53 ? 6   A   A "C1'" 1 
ATOM   122 N N9    . A   A 1 6 ? -9.321  -24.046 -1.372  1.00 29.86 ? 6   A   A N9    1 
ATOM   123 C C8    . A   A 1 6 ? -10.686 -24.187 -1.358  1.00 31.24 ? 6   A   A C8    1 
ATOM   124 N N7    . A   A 1 6 ? -11.275 -23.506 -0.401  1.00 29.75 ? 6   A   A N7    1 
ATOM   125 C C5    . A   A 1 6 ? -10.231 -22.880 0.262   1.00 28.16 ? 6   A   A C5    1 
ATOM   126 C C6    . A   A 1 6 ? -10.180 -22.018 1.370   1.00 25.38 ? 6   A   A C6    1 
ATOM   127 N N6    . A   A 1 6 ? -11.249 -21.600 2.055   1.00 26.25 ? 6   A   A N6    1 
ATOM   128 N N1    . A   A 1 6 ? -8.967  -21.576 1.776   1.00 25.47 ? 6   A   A N1    1 
ATOM   129 C C2    . A   A 1 6 ? -7.884  -21.978 1.105   1.00 25.08 ? 6   A   A C2    1 
ATOM   130 N N3    . A   A 1 6 ? -7.814  -22.786 0.055   1.00 26.98 ? 6   A   A N3    1 
ATOM   131 C C4    . A   A 1 6 ? -9.026  -23.211 -0.323  1.00 27.50 ? 6   A   A C4    1 
ATOM   132 P P     . G   A 1 7 ? -8.082  -29.167 -0.633  1.00 41.85 ? 7   G   A P     1 
ATOM   133 O OP1   . G   A 1 7 ? -7.548  -30.525 -0.904  1.00 41.97 ? 7   G   A OP1   1 
ATOM   134 O OP2   . G   A 1 7 ? -9.494  -29.016 -0.211  1.00 38.07 ? 7   G   A OP2   1 
ATOM   135 O "O5'" . G   A 1 7 ? -7.169  -28.490 0.472   1.00 29.96 ? 7   G   A "O5'" 1 
ATOM   136 C "C5'" . G   A 1 7 ? -5.761  -28.444 0.326   1.00 33.22 ? 7   G   A "C5'" 1 
ATOM   137 C "C4'" . G   A 1 7 ? -5.156  -27.379 1.200   1.00 31.73 ? 7   G   A "C4'" 1 
ATOM   138 O "O4'" . G   A 1 7 ? -5.844  -26.122 0.979   1.00 34.67 ? 7   G   A "O4'" 1 
ATOM   139 C "C3'" . G   A 1 7 ? -5.266  -27.593 2.703   1.00 31.06 ? 7   G   A "C3'" 1 
ATOM   140 O "O3'" . G   A 1 7 ? -4.275  -28.464 3.210   1.00 33.56 ? 7   G   A "O3'" 1 
ATOM   141 C "C2'" . G   A 1 7 ? -5.139  -26.180 3.241   1.00 32.11 ? 7   G   A "C2'" 1 
ATOM   142 O "O2'" . G   A 1 7 ? -3.780  -25.763 3.229   1.00 35.90 ? 7   G   A "O2'" 1 
ATOM   143 C "C1'" . G   A 1 7 ? -5.901  -25.389 2.181   1.00 30.20 ? 7   G   A "C1'" 1 
ATOM   144 N N9    . G   A 1 7 ? -7.321  -25.210 2.549   1.00 27.08 ? 7   G   A N9    1 
ATOM   145 C C8    . G   A 1 7 ? -8.440  -25.784 1.995   1.00 28.99 ? 7   G   A C8    1 
ATOM   146 N N7    . G   A 1 7 ? -9.554  -25.405 2.575   1.00 28.42 ? 7   G   A N7    1 
ATOM   147 C C5    . G   A 1 7 ? -9.137  -24.523 3.571   1.00 24.53 ? 7   G   A C5    1 
ATOM   148 C C6    . G   A 1 7 ? -9.862  -23.771 4.547   1.00 24.46 ? 7   G   A C6    1 
ATOM   149 O O6    . G   A 1 7 ? -11.074 -23.702 4.760   1.00 28.75 ? 7   G   A O6    1 
ATOM   150 N N1    . G   A 1 7 ? -9.027  -23.022 5.353   1.00 23.66 ? 7   G   A N1    1 
ATOM   151 C C2    . G   A 1 7 ? -7.666  -22.990 5.259   1.00 26.05 ? 7   G   A C2    1 
ATOM   152 N N2    . G   A 1 7 ? -7.043  -22.209 6.148   1.00 22.60 ? 7   G   A N2    1 
ATOM   153 N N3    . G   A 1 7 ? -6.972  -23.675 4.365   1.00 25.10 ? 7   G   A N3    1 
ATOM   154 C C4    . G   A 1 7 ? -7.764  -24.411 3.567   1.00 26.63 ? 7   G   A C4    1 
ATOM   155 P P     . A   A 1 8 ? -4.587  -29.406 4.478   1.00 31.61 ? 8   A   A P     1 
ATOM   156 O OP1   . A   A 1 8 ? -3.442  -30.362 4.526   1.00 36.74 ? 8   A   A OP1   1 
ATOM   157 O OP2   . A   A 1 8 ? -5.976  -29.896 4.380   1.00 33.22 ? 8   A   A OP2   1 
ATOM   158 O "O5'" . A   A 1 8 ? -4.451  -28.450 5.748   1.00 30.61 ? 8   A   A "O5'" 1 
ATOM   159 C "C5'" . A   A 1 8 ? -3.178  -28.104 6.272   1.00 28.98 ? 8   A   A "C5'" 1 
ATOM   160 C "C4'" . A   A 1 8 ? -3.283  -27.310 7.552   1.00 28.08 ? 8   A   A "C4'" 1 
ATOM   161 O "O4'" . A   A 1 8 ? -3.866  -25.999 7.288   1.00 26.59 ? 8   A   A "O4'" 1 
ATOM   162 C "C3'" . A   A 1 8 ? -4.173  -27.884 8.648   1.00 28.02 ? 8   A   A "C3'" 1 
ATOM   163 O "O3'" . A   A 1 8 ? -3.578  -28.944 9.382   1.00 26.37 ? 8   A   A "O3'" 1 
ATOM   164 C "C2'" . A   A 1 8 ? -4.464  -26.646 9.478   1.00 23.30 ? 8   A   A "C2'" 1 
ATOM   165 O "O2'" . A   A 1 8 ? -3.318  -26.269 10.227  1.00 29.52 ? 8   A   A "O2'" 1 
ATOM   166 C "C1'" . A   A 1 8 ? -4.689  -25.618 8.373   1.00 26.58 ? 8   A   A "C1'" 1 
ATOM   167 N N9    . A   A 1 8 ? -6.093  -25.670 7.918   1.00 25.26 ? 8   A   A N9    1 
ATOM   168 C C8    . A   A 1 8 ? -6.605  -26.359 6.849   1.00 24.30 ? 8   A   A C8    1 
ATOM   169 N N7    . A   A 1 8 ? -7.902  -26.252 6.713   1.00 25.77 ? 8   A   A N7    1 
ATOM   170 C C5    . A   A 1 8 ? -8.281  -25.451 7.779   1.00 21.04 ? 8   A   A C5    1 
ATOM   171 C C6    . A   A 1 8 ? -9.533  -24.959 8.205   1.00 22.55 ? 8   A   A C6    1 
ATOM   172 N N6    . A   A 1 8 ? -10.696 -25.214 7.583   1.00 21.23 ? 8   A   A N6    1 
ATOM   173 N N1    . A   A 1 8 ? -9.547  -24.186 9.310   1.00 21.40 ? 8   A   A N1    1 
ATOM   174 C C2    . A   A 1 8 ? -8.404  -23.925 9.946   1.00 20.77 ? 8   A   A C2    1 
ATOM   175 N N3    . A   A 1 8 ? -7.179  -24.339 9.634   1.00 24.35 ? 8   A   A N3    1 
ATOM   176 C C4    . A   A 1 8 ? -7.185  -25.091 8.534   1.00 22.59 ? 8   A   A C4    1 
ATOM   177 P P     . G   A 1 9 ? -4.482  -30.143 9.984   1.00 24.15 ? 9   G   A P     1 
ATOM   178 O OP1   . G   A 1 9 ? -3.522  -31.136 10.529  1.00 29.95 ? 9   G   A OP1   1 
ATOM   179 O OP2   . G   A 1 9 ? -5.468  -30.594 8.986   1.00 25.85 ? 9   G   A OP2   1 
ATOM   180 O "O5'" . G   A 1 9 ? -5.300  -29.461 11.184  1.00 23.96 ? 9   G   A "O5'" 1 
ATOM   181 C "C5'" . G   A 1 9 ? -4.646  -28.911 12.319  1.00 26.36 ? 9   G   A "C5'" 1 
ATOM   182 C "C4'" . G   A 1 9 ? -5.566  -28.050 13.161  1.00 24.79 ? 9   G   A "C4'" 1 
ATOM   183 O "O4'" . G   A 1 9 ? -6.142  -26.980 12.364  1.00 24.75 ? 9   G   A "O4'" 1 
ATOM   184 C "C3'" . G   A 1 9 ? -6.782  -28.728 13.774  1.00 23.29 ? 9   G   A "C3'" 1 
ATOM   185 O "O3'" . G   A 1 9 ? -6.486  -29.507 14.917  1.00 27.04 ? 9   G   A "O3'" 1 
ATOM   186 C "C2'" . G   A 1 9 ? -7.701  -27.547 14.057  1.00 24.75 ? 9   G   A "C2'" 1 
ATOM   187 O "O2'" . G   A 1 9 ? -7.309  -26.825 15.217  1.00 27.51 ? 9   G   A "O2'" 1 
ATOM   188 C "C1'" . G   A 1 9 ? -7.448  -26.683 12.830  1.00 24.32 ? 9   G   A "C1'" 1 
ATOM   189 N N9    . G   A 1 9 ? -8.412  -27.045 11.789  1.00 21.77 ? 9   G   A N9    1 
ATOM   190 C C8    . G   A 1 9 ? -8.204  -27.842 10.690  1.00 21.46 ? 9   G   A C8    1 
ATOM   191 N N7    . G   A 1 9 ? -9.285  -27.994 9.985   1.00 20.38 ? 9   G   A N7    1 
ATOM   192 C C5    . G   A 1 9 ? -10.257 -27.270 10.653  1.00 20.70 ? 9   G   A C5    1 
ATOM   193 C C6    . G   A 1 9 ? -11.623 -27.071 10.339  1.00 21.02 ? 9   G   A C6    1 
ATOM   194 O O6    . G   A 1 9 ? -12.274 -27.511 9.387   1.00 24.18 ? 9   G   A O6    1 
ATOM   195 N N1    . G   A 1 9 ? -12.234 -26.267 11.291  1.00 21.32 ? 9   G   A N1    1 
ATOM   196 C C2    . G   A 1 9 ? -11.617 -25.716 12.388  1.00 21.06 ? 9   G   A C2    1 
ATOM   197 N N2    . G   A 1 9 ? -12.392 -24.967 13.185  1.00 23.13 ? 9   G   A N2    1 
ATOM   198 N N3    . G   A 1 9 ? -10.341 -25.891 12.690  1.00 21.10 ? 9   G   A N3    1 
ATOM   199 C C4    . G   A 1 9 ? -9.733  -26.676 11.774  1.00 21.99 ? 9   G   A C4    1 
HETATM 200 N N1    . 5CM B 2 1 ? -17.104 -24.880 12.106  1.00 27.14 ? 1   5CM B N1    1 
HETATM 201 C C2    . 5CM B 2 1 ? -15.634 -25.093 12.137  1.00 24.17 ? 1   5CM B C2    1 
HETATM 202 N N3    . 5CM B 2 1 ? -14.997 -25.883 11.060  1.00 23.24 ? 1   5CM B N3    1 
HETATM 203 C C4    . 5CM B 2 1 ? -15.778 -26.456 10.001  1.00 24.73 ? 1   5CM B C4    1 
HETATM 204 C C5    . 5CM B 2 1 ? -17.254 -26.242 9.956   1.00 24.49 ? 1   5CM B C5    1 
HETATM 205 C C5A   . 5CM B 2 1 ? -18.045 -26.845 8.834   1.00 29.01 ? 1   5CM B C5A   1 
HETATM 206 C C6    . 5CM B 2 1 ? -17.899 -25.451 11.027  1.00 26.66 ? 1   5CM B C6    1 
HETATM 207 O O2    . 5CM B 2 1 ? -14.987 -24.647 12.986  1.00 24.35 ? 1   5CM B O2    1 
HETATM 208 N N4    . 5CM B 2 1 ? -15.119 -27.218 8.962   1.00 27.83 ? 1   5CM B N4    1 
HETATM 209 C "C1'" . 5CM B 2 1 ? -17.719 -24.099 13.165  1.00 25.74 ? 1   5CM B "C1'" 1 
HETATM 210 C "C2'" . 5CM B 2 1 ? -17.475 -22.835 12.994  1.00 27.99 ? 1   5CM B "C2'" 1 
HETATM 211 C "C3'" . 5CM B 2 1 ? -18.698 -22.246 12.115  1.00 30.31 ? 1   5CM B "C3'" 1 
HETATM 212 C "C4'" . 5CM B 2 1 ? -19.801 -22.937 12.555  1.00 31.45 ? 1   5CM B "C4'" 1 
HETATM 213 O "O4'" . 5CM B 2 1 ? -19.311 -24.264 13.049  1.00 29.29 ? 1   5CM B "O4'" 1 
HETATM 214 O "O3'" . 5CM B 2 1 ? -18.899 -20.899 12.394  1.00 32.50 ? 1   5CM B "O3'" 1 
HETATM 215 C "C5'" . 5CM B 2 1 ? -20.762 -23.148 11.409  1.00 33.57 ? 1   5CM B "C5'" 1 
HETATM 216 O "O5'" . 5CM B 2 1 ? -21.342 -24.365 11.569  1.00 41.29 ? 1   5CM B "O5'" 1 
ATOM   217 P P     . DT  B 2 2 ? -18.076 -19.756 11.620  1.00 33.52 ? 2   DT  B P     1 
ATOM   218 O OP1   . DT  B 2 2 ? -18.560 -18.430 12.073  1.00 35.62 ? 2   DT  B OP1   1 
ATOM   219 O OP2   . DT  B 2 2 ? -18.075 -20.123 10.184  1.00 32.23 ? 2   DT  B OP2   1 
ATOM   220 O "O5'" . DT  B 2 2 ? -16.588 -19.903 12.155  1.00 28.99 ? 2   DT  B "O5'" 1 
ATOM   221 C "C5'" . DT  B 2 2 ? -16.247 -19.433 13.442  1.00 28.21 ? 2   DT  B "C5'" 1 
ATOM   222 C "C4'" . DT  B 2 2 ? -14.762 -19.598 13.698  1.00 29.04 ? 2   DT  B "C4'" 1 
ATOM   223 O "O4'" . DT  B 2 2 ? -14.407 -20.997 13.602  1.00 27.57 ? 2   DT  B "O4'" 1 
ATOM   224 C "C3'" . DT  B 2 2 ? -13.846 -18.930 12.685  1.00 28.58 ? 2   DT  B "C3'" 1 
ATOM   225 O "O3'" . DT  B 2 2 ? -13.691 -17.565 12.982  1.00 31.60 ? 2   DT  B "O3'" 1 
ATOM   226 C "C2'" . DT  B 2 2 ? -12.555 -19.689 12.917  1.00 28.46 ? 2   DT  B "C2'" 1 
ATOM   227 C "C1'" . DT  B 2 2 ? -13.082 -21.105 13.086  1.00 26.47 ? 2   DT  B "C1'" 1 
ATOM   228 N N1    . DT  B 2 2 ? -13.102 -21.890 11.817  1.00 23.19 ? 2   DT  B N1    1 
ATOM   229 C C2    . DT  B 2 2 ? -11.927 -22.448 11.386  1.00 23.98 ? 2   DT  B C2    1 
ATOM   230 O O2    . DT  B 2 2 ? -10.879 -22.318 11.988  1.00 23.99 ? 2   DT  B O2    1 
ATOM   231 N N3    . DT  B 2 2 ? -12.020 -23.159 10.229  1.00 24.22 ? 2   DT  B N3    1 
ATOM   232 C C4    . DT  B 2 2 ? -13.153 -23.378 9.473   1.00 22.61 ? 2   DT  B C4    1 
ATOM   233 O O4    . DT  B 2 2 ? -13.134 -24.046 8.449   1.00 26.03 ? 2   DT  B O4    1 
ATOM   234 C C5    . DT  B 2 2 ? -14.361 -22.762 9.975   1.00 24.06 ? 2   DT  B C5    1 
ATOM   235 C C7    . DT  B 2 2 ? -15.661 -22.919 9.230   1.00 25.61 ? 2   DT  B C7    1 
ATOM   236 C C6    . DT  B 2 2 ? -14.277 -22.056 11.116  1.00 24.26 ? 2   DT  B C6    1 
ATOM   237 P P     . DC  B 2 3 ? -13.465 -16.516 11.787  1.00 32.06 ? 3   DC  B P     1 
ATOM   238 O OP1   . DC  B 2 3 ? -13.470 -15.166 12.394  1.00 38.43 ? 3   DC  B OP1   1 
ATOM   239 O OP2   . DC  B 2 3 ? -14.438 -16.850 10.729  1.00 30.19 ? 3   DC  B OP2   1 
ATOM   240 O "O5'" . DC  B 2 3 ? -11.991 -16.861 11.256  1.00 32.24 ? 3   DC  B "O5'" 1 
ATOM   241 C "C5'" . DC  B 2 3 ? -10.851 -16.617 12.067  1.00 30.49 ? 3   DC  B "C5'" 1 
ATOM   242 C "C4'" . DC  B 2 3 ? -9.623  -17.346 11.529  1.00 31.94 ? 3   DC  B "C4'" 1 
ATOM   243 O "O4'" . DC  B 2 3 ? -9.902  -18.760 11.385  1.00 31.46 ? 3   DC  B "O4'" 1 
ATOM   244 C "C3'" . DC  B 2 3 ? -9.165  -16.927 10.144  1.00 31.60 ? 3   DC  B "C3'" 1 
ATOM   245 O "O3'" . DC  B 2 3 ? -8.386  -15.751 10.226  1.00 33.81 ? 3   DC  B "O3'" 1 
ATOM   246 C "C2'" . DC  B 2 3 ? -8.312  -18.127 9.745   1.00 30.65 ? 3   DC  B "C2'" 1 
ATOM   247 C "C1'" . DC  B 2 3 ? -9.127  -19.286 10.311  1.00 29.62 ? 3   DC  B "C1'" 1 
ATOM   248 N N1    . DC  B 2 3 ? -10.035 -19.894 9.306   1.00 26.63 ? 3   DC  B N1    1 
ATOM   249 C C2    . DC  B 2 3 ? -9.513  -20.779 8.352   1.00 24.87 ? 3   DC  B C2    1 
ATOM   250 O O2    . DC  B 2 3 ? -8.300  -21.037 8.369   1.00 26.69 ? 3   DC  B O2    1 
ATOM   251 N N3    . DC  B 2 3 ? -10.343 -21.326 7.444   1.00 26.71 ? 3   DC  B N3    1 
ATOM   252 C C4    . DC  B 2 3 ? -11.644 -21.021 7.447   1.00 26.59 ? 3   DC  B C4    1 
ATOM   253 N N4    . DC  B 2 3 ? -12.418 -21.588 6.520   1.00 28.17 ? 3   DC  B N4    1 
ATOM   254 C C5    . DC  B 2 3 ? -12.200 -20.117 8.401   1.00 26.69 ? 3   DC  B C5    1 
ATOM   255 C C6    . DC  B 2 3 ? -11.368 -19.580 9.304   1.00 26.62 ? 3   DC  B C6    1 
ATOM   256 P P     . DT  B 2 4 ? -8.191  -14.797 8.944   1.00 32.15 ? 4   DT  B P     1 
ATOM   257 O OP1   . DT  B 2 4 ? -7.414  -13.637 9.445   1.00 35.00 ? 4   DT  B OP1   1 
ATOM   258 O OP2   . DT  B 2 4 ? -9.489  -14.622 8.259   1.00 31.94 ? 4   DT  B OP2   1 
ATOM   259 O "O5'" . DT  B 2 4 ? -7.267  -15.643 7.950   1.00 30.82 ? 4   DT  B "O5'" 1 
ATOM   260 C "C5'" . DT  B 2 4 ? -5.917  -15.891 8.271   1.00 26.96 ? 4   DT  B "C5'" 1 
ATOM   261 C "C4'" . DT  B 2 4 ? -5.231  -16.650 7.155   1.00 28.90 ? 4   DT  B "C4'" 1 
ATOM   262 O "O4'" . DT  B 2 4 ? -5.797  -17.975 7.052   1.00 26.15 ? 4   DT  B "O4'" 1 
ATOM   263 C "C3'" . DT  B 2 4 ? -5.421  -16.071 5.770   1.00 26.89 ? 4   DT  B "C3'" 1 
ATOM   264 O "O3'" . DT  B 2 4 ? -4.508  -15.020 5.541   1.00 28.19 ? 4   DT  B "O3'" 1 
ATOM   265 C "C2'" . DT  B 2 4 ? -5.103  -17.274 4.899   1.00 24.93 ? 4   DT  B "C2'" 1 
ATOM   266 C "C1'" . DT  B 2 4 ? -5.747  -18.403 5.699   1.00 26.14 ? 4   DT  B "C1'" 1 
ATOM   267 N N1    . DT  B 2 4 ? -7.119  -18.721 5.250   1.00 24.44 ? 4   DT  B N1    1 
ATOM   268 C C2    . DT  B 2 4 ? -7.292  -19.565 4.183   1.00 22.67 ? 4   DT  B C2    1 
ATOM   269 O O2    . DT  B 2 4 ? -6.365  -20.072 3.577   1.00 25.13 ? 4   DT  B O2    1 
ATOM   270 N N3    . DT  B 2 4 ? -8.592  -19.792 3.839   1.00 24.79 ? 4   DT  B N3    1 
ATOM   271 C C4    . DT  B 2 4 ? -9.718  -19.272 4.446   1.00 25.35 ? 4   DT  B C4    1 
ATOM   272 O O4    . DT  B 2 4 ? -10.849 -19.544 4.064   1.00 25.71 ? 4   DT  B O4    1 
ATOM   273 C C5    . DT  B 2 4 ? -9.468  -18.379 5.551   1.00 24.37 ? 4   DT  B C5    1 
ATOM   274 C C7    . DT  B 2 4 ? -10.613 -17.744 6.284   1.00 25.68 ? 4   DT  B C7    1 
ATOM   275 C C6    . DT  B 2 4 ? -8.195  -18.152 5.901   1.00 24.00 ? 4   DT  B C6    1 
ATOM   276 P P     . DT  B 2 5 ? -4.834  -13.910 4.429   1.00 25.96 ? 5   DT  B P     1 
ATOM   277 O OP1   . DT  B 2 5 ? -3.794  -12.861 4.582   1.00 27.65 ? 5   DT  B OP1   1 
ATOM   278 O OP2   . DT  B 2 5 ? -6.270  -13.552 4.517   1.00 25.26 ? 5   DT  B OP2   1 
ATOM   279 O "O5'" . DT  B 2 5 ? -4.588  -14.669 3.051   1.00 23.57 ? 5   DT  B "O5'" 1 
ATOM   280 C "C5'" . DT  B 2 5 ? -3.269  -15.011 2.680   1.00 24.13 ? 5   DT  B "C5'" 1 
ATOM   281 C "C4'" . DT  B 2 5 ? -3.246  -15.993 1.525   1.00 22.33 ? 5   DT  B "C4'" 1 
ATOM   282 O "O4'" . DT  B 2 5 ? -4.009  -17.185 1.858   1.00 22.92 ? 5   DT  B "O4'" 1 
ATOM   283 C "C3'" . DT  B 2 5 ? -3.877  -15.511 0.241   1.00 23.03 ? 5   DT  B "C3'" 1 
ATOM   284 O "O3'" . DT  B 2 5 ? -2.993  -14.678 -0.458  1.00 22.26 ? 5   DT  B "O3'" 1 
ATOM   285 C "C2'" . DT  B 2 5 ? -4.087  -16.830 -0.482  1.00 24.67 ? 5   DT  B "C2'" 1 
ATOM   286 C "C1'" . DT  B 2 5 ? -4.577  -17.707 0.670   1.00 23.39 ? 5   DT  B "C1'" 1 
ATOM   287 N N1    . DT  B 2 5 ? -6.073  -17.735 0.812   1.00 21.41 ? 5   DT  B N1    1 
ATOM   288 C C2    . DT  B 2 5 ? -6.776  -18.595 0.019   1.00 22.27 ? 5   DT  B C2    1 
ATOM   289 O O2    . DT  B 2 5 ? -6.240  -19.329 -0.796  1.00 23.46 ? 5   DT  B O2    1 
ATOM   290 N N3    . DT  B 2 5 ? -8.132  -18.571 0.202   1.00 22.20 ? 5   DT  B N3    1 
ATOM   291 C C4    . DT  B 2 5 ? -8.835  -17.789 1.093   1.00 21.29 ? 5   DT  B C4    1 
ATOM   292 O O4    . DT  B 2 5 ? -10.063 -17.844 1.191   1.00 22.49 ? 5   DT  B O4    1 
ATOM   293 C C5    . DT  B 2 5 ? -8.038  -16.891 1.892   1.00 21.50 ? 5   DT  B C5    1 
ATOM   294 C C7    . DT  B 2 5 ? -8.695  -15.992 2.896   1.00 22.53 ? 5   DT  B C7    1 
ATOM   295 C C6    . DT  B 2 5 ? -6.705  -16.906 1.718   1.00 22.02 ? 5   DT  B C6    1 
ATOM   296 P P     . DC  B 2 6 ? -3.550  -13.612 -1.520  1.00 22.97 ? 6   DC  B P     1 
ATOM   297 O OP1   . DC  B 2 6 ? -2.399  -12.741 -1.872  1.00 26.02 ? 6   DC  B OP1   1 
ATOM   298 O OP2   . DC  B 2 6 ? -4.822  -13.005 -1.036  1.00 26.15 ? 6   DC  B OP2   1 
ATOM   299 O "O5'" . DC  B 2 6 ? -3.933  -14.489 -2.796  1.00 21.32 ? 6   DC  B "O5'" 1 
ATOM   300 C "C5'" . DC  B 2 6 ? -2.922  -15.080 -3.604  1.00 22.36 ? 6   DC  B "C5'" 1 
ATOM   301 C "C4'" . DC  B 2 6 ? -3.538  -15.908 -4.712  1.00 20.11 ? 6   DC  B "C4'" 1 
ATOM   302 O "O4'" . DC  B 2 6 ? -4.326  -16.977 -4.135  1.00 22.36 ? 6   DC  B "O4'" 1 
ATOM   303 C "C3'" . DC  B 2 6 ? -4.510  -15.160 -5.599  1.00 22.47 ? 6   DC  B "C3'" 1 
ATOM   304 O "O3'" . DC  B 2 6 ? -3.802  -14.455 -6.604  1.00 24.69 ? 6   DC  B "O3'" 1 
ATOM   305 C "C2'" . DC  B 2 6 ? -5.332  -16.309 -6.173  1.00 22.44 ? 6   DC  B "C2'" 1 
ATOM   306 C "C1'" . DC  B 2 6 ? -5.449  -17.234 -4.955  1.00 22.73 ? 6   DC  B "C1'" 1 
ATOM   307 N N1    . DC  B 2 6 ? -6.692  -17.015 -4.146  1.00 19.64 ? 6   DC  B N1    1 
ATOM   308 C C2    . DC  B 2 6 ? -7.894  -17.550 -4.600  1.00 20.34 ? 6   DC  B C2    1 
ATOM   309 O O2    . DC  B 2 6 ? -7.891  -18.206 -5.641  1.00 23.55 ? 6   DC  B O2    1 
ATOM   310 N N3    . DC  B 2 6 ? -9.018  -17.360 -3.868  1.00 18.58 ? 6   DC  B N3    1 
ATOM   311 C C4    . DC  B 2 6 ? -8.964  -16.658 -2.730  1.00 19.57 ? 6   DC  B C4    1 
ATOM   312 N N4    . DC  B 2 6 ? -10.103 -16.483 -2.046  1.00 22.30 ? 6   DC  B N4    1 
ATOM   313 C C5    . DC  B 2 6 ? -7.746  -16.082 -2.261  1.00 23.13 ? 6   DC  B C5    1 
ATOM   314 C C6    . DC  B 2 6 ? -6.646  -16.287 -2.991  1.00 19.21 ? 6   DC  B C6    1 
ATOM   315 P P     . DT  B 2 7 ? -4.291  -12.992 -7.055  1.00 24.47 ? 7   DT  B P     1 
ATOM   316 O OP1   . DT  B 2 7 ? -3.339  -12.497 -8.074  1.00 27.11 ? 7   DT  B OP1   1 
ATOM   317 O OP2   . DT  B 2 7 ? -4.553  -12.183 -5.869  1.00 23.78 ? 7   DT  B OP2   1 
ATOM   318 O "O5'" . DT  B 2 7 ? -5.687  -13.265 -7.761  1.00 23.81 ? 7   DT  B "O5'" 1 
ATOM   319 C "C5'" . DT  B 2 7 ? -5.726  -13.946 -9.014  1.00 24.23 ? 7   DT  B "C5'" 1 
ATOM   320 C "C4'" . DT  B 2 7 ? -7.141  -14.368 -9.352  1.00 20.89 ? 7   DT  B "C4'" 1 
ATOM   321 O "O4'" . DT  B 2 7 ? -7.650  -15.189 -8.286  1.00 20.82 ? 7   DT  B "O4'" 1 
ATOM   322 C "C3'" . DT  B 2 7 ? -8.146  -13.235 -9.472  1.00 23.07 ? 7   DT  B "C3'" 1 
ATOM   323 O "O3'" . DT  B 2 7 ? -8.098  -12.676 -10.777 1.00 22.82 ? 7   DT  B "O3'" 1 
ATOM   324 C "C2'" . DT  B 2 7 ? -9.450  -13.973 -9.239  1.00 21.85 ? 7   DT  B "C2'" 1 
ATOM   325 C "C1'" . DT  B 2 7 ? -9.049  -14.994 -8.182  1.00 22.37 ? 7   DT  B "C1'" 1 
ATOM   326 N N1    . DT  B 2 7 ? -9.402  -14.570 -6.797  1.00 20.03 ? 7   DT  B N1    1 
ATOM   327 C C2    . DT  B 2 7 ? -10.685 -14.777 -6.385  1.00 19.66 ? 7   DT  B C2    1 
ATOM   328 O O2    . DT  B 2 7 ? -11.525 -15.279 -7.096  1.00 19.48 ? 7   DT  B O2    1 
ATOM   329 N N3    . DT  B 2 7 ? -10.955 -14.385 -5.106  1.00 18.97 ? 7   DT  B N3    1 
ATOM   330 C C4    . DT  B 2 7 ? -10.087 -13.779 -4.220  1.00 20.12 ? 7   DT  B C4    1 
ATOM   331 O O4    . DT  B 2 7 ? -10.436 -13.448 -3.088  1.00 21.15 ? 7   DT  B O4    1 
ATOM   332 C C5    . DT  B 2 7 ? -8.743  -13.567 -4.719  1.00 19.94 ? 7   DT  B C5    1 
ATOM   333 C C7    . DT  B 2 7 ? -7.705  -12.921 -3.840  1.00 21.83 ? 7   DT  B C7    1 
ATOM   334 C C6    . DT  B 2 7 ? -8.462  -13.972 -5.974  1.00 20.99 ? 7   DT  B C6    1 
ATOM   335 P P     . DT  B 2 8 ? -8.608  -11.171 -11.025 1.00 23.71 ? 8   DT  B P     1 
ATOM   336 O OP1   . DT  B 2 8 ? -8.164  -10.757 -12.370 1.00 26.44 ? 8   DT  B OP1   1 
ATOM   337 O OP2   . DT  B 2 8 ? -8.272  -10.355 -9.839  1.00 24.40 ? 8   DT  B OP2   1 
ATOM   338 O "O5'" . DT  B 2 8 ? -10.199 -11.292 -11.027 1.00 24.26 ? 8   DT  B "O5'" 1 
ATOM   339 C "C5'" . DT  B 2 8 ? -10.887 -11.965 -12.082 1.00 22.33 ? 8   DT  B "C5'" 1 
ATOM   340 C "C4'" . DT  B 2 8 ? -12.340 -12.179 -11.705 1.00 20.34 ? 8   DT  B "C4'" 1 
ATOM   341 O "O4'" . DT  B 2 8 ? -12.391 -12.868 -10.438 1.00 21.25 ? 8   DT  B "O4'" 1 
ATOM   342 C "C3'" . DT  B 2 8 ? -13.153 -10.912 -11.471 1.00 21.09 ? 8   DT  B "C3'" 1 
ATOM   343 O "O3'" . DT  B 2 8 ? -13.708 -10.459 -12.693 1.00 22.61 ? 8   DT  B "O3'" 1 
ATOM   344 C "C2'" . DT  B 2 8 ? -14.249 -11.400 -10.544 1.00 19.82 ? 8   DT  B "C2'" 1 
ATOM   345 C "C1'" . DT  B 2 8 ? -13.536 -12.452 -9.724  1.00 20.01 ? 8   DT  B "C1'" 1 
ATOM   346 N N1    . DT  B 2 8 ? -13.117 -11.993 -8.394  1.00 20.36 ? 8   DT  B N1    1 
ATOM   347 C C2    . DT  B 2 8 ? -14.033 -12.044 -7.397  1.00 19.53 ? 8   DT  B C2    1 
ATOM   348 O O2    . DT  B 2 8 ? -15.176 -12.388 -7.581  1.00 20.88 ? 8   DT  B O2    1 
ATOM   349 N N3    . DT  B 2 8 ? -13.587 -11.647 -6.173  1.00 18.92 ? 8   DT  B N3    1 
ATOM   350 C C4    . DT  B 2 8 ? -12.316 -11.223 -5.846  1.00 21.13 ? 8   DT  B C4    1 
ATOM   351 O O4    . DT  B 2 8 ? -12.017 -10.902 -4.700  1.00 21.24 ? 8   DT  B O4    1 
ATOM   352 C C5    . DT  B 2 8 ? -11.373 -11.185 -6.948  1.00 19.15 ? 8   DT  B C5    1 
ATOM   353 C C7    . DT  B 2 8 ? -9.966  -10.731 -6.719  1.00 22.26 ? 8   DT  B C7    1 
ATOM   354 C C6    . DT  B 2 8 ? -11.816 -11.572 -8.167  1.00 19.66 ? 8   DT  B C6    1 
HETATM 355 N N1    . 5CM B 2 9 ? -16.960 -8.952  -8.178  1.00 21.47 ? 9   5CM B N1    1 
HETATM 356 C C2    . 5CM B 2 9 ? -17.173 -8.910  -6.722  1.00 21.58 ? 9   5CM B C2    1 
HETATM 357 N N3    . 5CM B 2 9 ? -16.012 -8.613  -5.855  1.00 21.75 ? 9   5CM B N3    1 
HETATM 358 C C4    . 5CM B 2 9 ? -14.707 -8.376  -6.425  1.00 20.43 ? 9   5CM B C4    1 
HETATM 359 C C5    . 5CM B 2 9 ? -14.503 -8.415  -7.896  1.00 20.19 ? 9   5CM B C5    1 
HETATM 360 C C5A   . 5CM B 2 9 ? -13.143 -8.147  -8.473  1.00 21.16 ? 9   5CM B C5A   1 
HETATM 361 C C6    . 5CM B 2 9 ? -15.653 -8.725  -8.756  1.00 18.93 ? 9   5CM B C6    1 
HETATM 362 O O2    . 5CM B 2 9 ? -18.239 -9.103  -6.302  1.00 24.16 ? 9   5CM B O2    1 
HETATM 363 N N4    . 5CM B 2 9 ? -13.581 -8.073  -5.586  1.00 23.55 ? 9   5CM B N4    1 
HETATM 364 C "C1'" . 5CM B 2 9 ? -18.080 -9.269  -9.032  1.00 21.64 ? 9   5CM B "C1'" 1 
HETATM 365 C "C2'" . 5CM B 2 9 ? -18.655 -8.208  -9.529  1.00 23.02 ? 9   5CM B "C2'" 1 
HETATM 366 C "C3'" . 5CM B 2 9 ? -18.090 -8.020  -11.033 1.00 21.85 ? 9   5CM B "C3'" 1 
HETATM 367 C "C4'" . 5CM B 2 9 ? -17.850 -9.302  -11.487 1.00 23.35 ? 9   5CM B "C4'" 1 
HETATM 368 O "O4'" . 5CM B 2 9 ? -17.410 -10.033 -10.263 1.00 21.52 ? 9   5CM B "O4'" 1 
HETATM 369 O "O3'" . 5CM B 2 9 ? -19.050 -7.372  -11.802 1.00 25.69 ? 9   5CM B "O3'" 1 
HETATM 370 C "C5'" . 5CM B 2 9 ? -16.730 -9.395  -12.507 1.00 22.55 ? 9   5CM B "C5'" 1 
HETATM 371 O "O5'" . 5CM B 2 9 ? -15.610 -8.856  -11.965 1.00 20.71 ? 9   5CM B "O5'" 1 
HETATM 372 P P     . 5CM B 2 9 ? -14.211 -8.939  -12.824 1.00 22.34 ? 9   5CM B P     1 
HETATM 373 O OP1   . 5CM B 2 9 ? -14.495 -8.700  -14.337 1.00 26.81 ? 9   5CM B OP1   1 
HETATM 374 O OP2   . 5CM B 2 9 ? -13.166 -7.985  -12.219 1.00 23.40 ? 9   5CM B OP2   1 
HETATM 375 N N1    . SPM C 3 . ? -11.670 -33.632 6.326   1.00 39.65 ? 101 SPM A N1    1 
HETATM 376 C C2    . SPM C 3 . ? -12.858 -33.069 6.944   1.00 37.57 ? 101 SPM A C2    1 
HETATM 377 C C3    . SPM C 3 . ? -13.282 -31.819 6.175   1.00 42.10 ? 101 SPM A C3    1 
HETATM 378 C C4    . SPM C 3 . ? -13.600 -30.682 7.142   1.00 35.24 ? 101 SPM A C4    1 
HETATM 379 N N5    . SPM C 3 . ? -12.878 -29.488 6.748   1.00 41.59 ? 101 SPM A N5    1 
HETATM 380 C C6    . SPM C 3 . ? -11.832 -29.205 7.710   1.00 33.68 ? 101 SPM A C6    1 
HETATM 381 C C7    . SPM C 3 . ? -10.464 -29.130 7.039   1.00 30.28 ? 101 SPM A C7    1 
HETATM 382 C C8    . SPM C 3 . ? -9.744  -30.469 7.139   1.00 32.69 ? 101 SPM A C8    1 
HETATM 383 C C9    . SPM C 3 . ? -8.359  -30.235 7.739   1.00 32.67 ? 101 SPM A C9    1 
HETATM 384 N N10   . SPM C 3 . ? -7.323  -30.544 6.775   1.00 36.37 ? 101 SPM A N10   1 
HETATM 385 C C11   . SPM C 3 . ? -7.321  -31.968 6.494   1.00 35.25 ? 101 SPM A C11   1 
HETATM 386 C C12   . SPM C 3 . ? -5.985  -32.583 6.909   1.00 34.52 ? 101 SPM A C12   1 
HETATM 387 C C13   . SPM C 3 . ? -5.206  -33.035 5.680   1.00 36.16 ? 101 SPM A C13   1 
HETATM 388 N N14   . SPM C 3 . ? -3.781  -32.882 5.921   1.00 34.55 ? 101 SPM A N14   1 
HETATM 389 O O     . HOH D 4 . ? -19.877 -20.223 -1.133  1.00 40.32 ? 201 HOH A O     1 
HETATM 390 O O     . HOH D 4 . ? -3.778  -24.782 12.035  1.00 34.50 ? 202 HOH A O     1 
HETATM 391 O O     . HOH D 4 . ? -3.166  -24.088 4.875   1.00 34.82 ? 203 HOH A O     1 
HETATM 392 O O     . HOH D 4 . ? -7.855  -25.046 -6.347  1.00 34.81 ? 204 HOH A O     1 
HETATM 393 O O     . HOH D 4 . ? -15.878 -15.502 0.466   1.00 32.14 ? 205 HOH A O     1 
HETATM 394 O O     . HOH D 4 . ? -5.886  -31.072 -2.809  1.00 41.71 ? 206 HOH A O     1 
HETATM 395 O O     . HOH D 4 . ? -12.227 -7.727  -1.677  1.00 35.06 ? 207 HOH A O     1 
HETATM 396 O O     . HOH D 4 . ? -15.371 -11.243 1.789   1.00 36.90 ? 208 HOH A O     1 
HETATM 397 O O     . HOH D 4 . ? -4.357  -22.318 6.311   1.00 30.13 ? 209 HOH A O     1 
HETATM 398 O O     . HOH D 4 . ? -5.577  -23.013 -1.456  1.00 34.51 ? 210 HOH A O     1 
HETATM 399 O O     . HOH D 4 . ? -22.026 -13.929 4.575   1.00 41.51 ? 211 HOH A O     1 
HETATM 400 O O     . HOH D 4 . ? -8.044  -22.562 -5.549  1.00 33.30 ? 212 HOH A O     1 
HETATM 401 O O     . HOH D 4 . ? -14.179 -13.946 0.464   1.00 33.75 ? 213 HOH A O     1 
HETATM 402 O O     . HOH D 4 . ? -16.978 -18.307 -2.306  1.00 30.31 ? 214 HOH A O     1 
HETATM 403 O O     . HOH D 4 . ? -14.025 -17.375 -0.718  1.00 29.84 ? 215 HOH A O     1 
HETATM 404 O O     . HOH D 4 . ? -20.557 -11.203 -5.005  1.00 31.28 ? 216 HOH A O     1 
HETATM 405 O O     . HOH D 4 . ? -12.824 -10.744 0.195   1.00 35.59 ? 217 HOH A O     1 
HETATM 406 O O     . HOH D 4 . ? -14.168 -22.783 0.079   1.00 37.53 ? 218 HOH A O     1 
HETATM 407 O O     . HOH D 4 . ? -14.956 -20.182 -0.268  1.00 35.43 ? 219 HOH A O     1 
HETATM 408 O O     . HOH D 4 . ? -17.456 -17.206 0.195   1.00 34.79 ? 220 HOH A O     1 
HETATM 409 O O     . HOH D 4 . ? -11.490 -13.123 1.267   1.00 38.18 ? 221 HOH A O     1 
HETATM 410 O O     . HOH E 4 . ? -19.413 -21.223 8.818   1.00 40.27 ? 101 HOH B O     1 
HETATM 411 O O     . HOH E 4 . ? -4.924  -22.223 3.139   1.00 31.60 ? 102 HOH B O     1 
HETATM 412 O O     . HOH E 4 . ? -14.544 -24.976 6.427   1.00 31.79 ? 103 HOH B O     1 
HETATM 413 O O     . HOH E 4 . ? -12.294 -16.559 1.791   1.00 32.23 ? 104 HOH B O     1 
HETATM 414 O O     . HOH E 4 . ? -7.107  -13.638 0.207   1.00 28.03 ? 105 HOH B O     1 
HETATM 415 O O     . HOH E 4 . ? -3.678  -10.359 -9.690  1.00 41.68 ? 106 HOH B O     1 
HETATM 416 O O     . HOH E 4 . ? -11.079 -7.062  -5.810  1.00 29.85 ? 107 HOH B O     1 
HETATM 417 O O     . HOH E 4 . ? -2.862  -11.097 -4.038  1.00 33.11 ? 108 HOH B O     1 
HETATM 418 O O     . HOH E 4 . ? -7.414  -12.163 2.479   1.00 31.83 ? 109 HOH B O     1 
HETATM 419 O O     . HOH E 4 . ? -20.531 -5.281  -10.891 1.00 27.23 ? 110 HOH B O     1 
HETATM 420 O O     . HOH E 4 . ? -16.066 -6.901  -15.642 1.00 30.74 ? 111 HOH B O     1 
HETATM 421 O O     . HOH E 4 . ? -8.797  -13.887 5.505   1.00 33.18 ? 112 HOH B O     1 
HETATM 422 O O     . HOH E 4 . ? -18.470 -6.810  -14.417 1.00 28.90 ? 113 HOH B O     1 
HETATM 423 O O     . HOH E 4 . ? -11.146 -6.711  -10.882 1.00 32.46 ? 114 HOH B O     1 
HETATM 424 O O     . HOH E 4 . ? -5.622  -10.410 -1.633  1.00 37.52 ? 115 HOH B O     1 
HETATM 425 O O     . HOH E 4 . ? -6.070  -9.247  -8.539  1.00 34.37 ? 116 HOH B O     1 
HETATM 426 O O     . HOH E 4 . ? -9.757  -14.236 -0.411  1.00 29.76 ? 117 HOH B O     1 
HETATM 427 O O     . HOH E 4 . ? -6.239  -9.922  -6.083  1.00 34.05 ? 118 HOH B O     1 
HETATM 428 O O     . HOH E 4 . ? -10.175 -9.141  -3.469  1.00 34.77 ? 119 HOH B O     1 
HETATM 429 O O     . HOH E 4 . ? -13.559 -18.798 4.408   1.00 35.72 ? 120 HOH B O     1 
HETATM 430 O O     . HOH E 4 . ? -6.649  -20.611 -6.512  1.00 31.34 ? 121 HOH B O     1 
HETATM 431 O O     . HOH E 4 . ? -21.095 -27.194 11.133  1.00 37.18 ? 122 HOH B O     1 
HETATM 432 O O     . HOH E 4 . ? -15.101 -20.470 6.422   1.00 35.82 ? 123 HOH B O     1 
HETATM 433 O O     . HOH E 4 . ? -15.639 -19.052 8.978   1.00 29.10 ? 124 HOH B O     1 
HETATM 434 O O     . HOH E 4 . ? -14.256 -15.201 15.214  1.00 38.55 ? 125 HOH B O     1 
HETATM 435 O O     . HOH E 4 . ? -9.656  -7.869  -8.990  1.00 30.97 ? 126 HOH B O     1 
HETATM 436 O O     . HOH E 4 . ? -2.261  -14.861 -9.523  1.00 34.81 ? 127 HOH B O     1 
HETATM 437 O O     . HOH E 4 . ? -7.573  -8.824  -3.877  1.00 37.41 ? 128 HOH B O     1 
# 
