data_9CSQ
# 
_entry.id   9CSQ 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.403 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   9CSQ         pdb_00009csq 10.2210/pdb9csq/pdb 
WWPDB D_1000285480 ?            ?                   
# 
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 2025-05-14 ? 
2 'Structure model' 1 1 2025-05-28 ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_audit_revision_group.ordinal             1 
_pdbx_audit_revision_group.revision_ordinal    2 
_pdbx_audit_revision_group.data_content_type   'Structure model' 
_pdbx_audit_revision_group.group               'Database references' 
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1 2 'Structure model' citation        
2 2 'Structure model' citation_author 
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1  2 'Structure model' '_citation.country'                 
2  2 'Structure model' '_citation.journal_abbrev'          
3  2 'Structure model' '_citation.journal_id_ASTM'         
4  2 'Structure model' '_citation.journal_id_CSD'          
5  2 'Structure model' '_citation.journal_id_ISSN'         
6  2 'Structure model' '_citation.journal_volume'          
7  2 'Structure model' '_citation.page_first'              
8  2 'Structure model' '_citation.page_last'               
9  2 'Structure model' '_citation.pdbx_database_id_DOI'    
10 2 'Structure model' '_citation.pdbx_database_id_PubMed' 
11 2 'Structure model' '_citation.title'                   
12 2 'Structure model' '_citation.year'                    
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9CSQ 
_pdbx_database_status.recvd_initial_deposition_date   2024-07-24 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              jwszostak@uchicago.edu 
_pdbx_contact_author.name_first         Jack 
_pdbx_contact_author.name_last          Szostak 
_pdbx_contact_author.name_mi            W. 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0003-4131-1203 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Fang, Z.'      1 0000-0001-8679-6633 
'Jia, X.'       2 0000-0001-9094-9882 
'Szostak, J.W.' 3 0000-0003-4131-1203 
# 
_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            Proc.Natl.Acad.Sci.USA 
_citation.journal_id_ASTM           PNASA6 
_citation.journal_id_CSD            0040 
_citation.journal_id_ISSN           1091-6490 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            122 
_citation.language                  ? 
_citation.page_first                e2505720122 
_citation.page_last                 e2505720122 
_citation.title                     'Nonenzymatic RNA copying with a potentially primordial genetic alphabet.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1073/pnas.2505720122 
_citation.pdbx_database_id_PubMed   40397670 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Fang, Z.'      1 0000-0001-8679-6633 
primary 'Jia, X.'       2 0000-0001-9094-9882 
primary 'Xing, Y.'      3 0000-0002-4549-8370 
primary 'Szostak, J.W.' 4 0000-0003-4131-1203 
# 
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 strand with s(2)C:I pair sequence 1' 5084.113 1  ? ? ? ? 
2 water   nat water                                     18.015   56 ? ? ? ? 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           polyribonucleotide 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   yes 
_entity_poly.pdbx_seq_one_letter_code       'AIAGAAGAUCUUCU(RSP)U' 
_entity_poly.pdbx_seq_one_letter_code_can   AIAGAAGAUCUUCUCU 
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
_pdbx_entity_nonpoly.entity_id   2 
_pdbx_entity_nonpoly.name        water 
_pdbx_entity_nonpoly.comp_id     HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1  A   n 
1 2  I   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  U   n 
1 10 C   n 
1 11 U   n 
1 12 U   n 
1 13 C   n 
1 14 U   n 
1 15 RSP n 
1 16 U   n 
# 
_pdbx_entity_src_syn.entity_id              1 
_pdbx_entity_src_syn.pdbx_src_id            1 
_pdbx_entity_src_syn.pdbx_alt_source_flag   sample 
_pdbx_entity_src_syn.pdbx_beg_seq_num       1 
_pdbx_entity_src_syn.pdbx_end_seq_num       16 
_pdbx_entity_src_syn.organism_scientific    'synthetic construct' 
_pdbx_entity_src_syn.organism_common_name   ? 
_pdbx_entity_src_syn.ncbi_taxonomy_id       32630 
_pdbx_entity_src_syn.details                ? 
# 
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 
A   'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE"                                            ? 'C10 H14 N5 O7 P'  347.221 
C   'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE"                                             ? 'C9 H14 N3 O8 P'   323.197 
G   'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE"                                            ? 'C10 H14 N5 O8 P'  363.221 
HOH non-polymer   . WATER                                                                   ? 'H2 O'             18.015  
I   'RNA linking' y 'INOSINIC ACID'                                                         ? 'C10 H13 N4 O8 P'  348.206 
RSP 'RNA linking' n '4-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)pyrimidine-2(1H)-thione' ? 'C9 H14 N3 O7 P S' 339.262 
U   'RNA linking' y "URIDINE-5'-MONOPHOSPHATE"                                              ? 'C9 H13 N2 O9 P'   324.181 
# 
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  A   1  1  1  A   A   A . n 
A 1 2  I   2  2  2  I   I   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  U   9  9  9  U   U   A . n 
A 1 10 C   10 10 10 C   C   A . n 
A 1 11 U   11 11 11 U   U   A . n 
A 1 12 U   12 12 12 U   U   A . n 
A 1 13 C   13 13 13 C   C   A . n 
A 1 14 U   14 14 14 U   U   A . n 
A 1 15 RSP 15 15 15 RSP RSP A . n 
A 1 16 U   16 16 16 U   U   A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        RSP 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   RSP 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 HOH 1  101 25 HOH HOH A . 
B 2 HOH 2  102 39 HOH HOH A . 
B 2 HOH 3  103 14 HOH HOH A . 
B 2 HOH 4  104 12 HOH HOH A . 
B 2 HOH 5  105 44 HOH HOH A . 
B 2 HOH 6  106 32 HOH HOH A . 
B 2 HOH 7  107 6  HOH HOH A . 
B 2 HOH 8  108 48 HOH HOH A . 
B 2 HOH 9  109 3  HOH HOH A . 
B 2 HOH 10 110 9  HOH HOH A . 
B 2 HOH 11 111 1  HOH HOH A . 
B 2 HOH 12 112 19 HOH HOH A . 
B 2 HOH 13 113 37 HOH HOH A . 
B 2 HOH 14 114 21 HOH HOH A . 
B 2 HOH 15 115 45 HOH HOH A . 
B 2 HOH 16 116 41 HOH HOH A . 
B 2 HOH 17 117 24 HOH HOH A . 
B 2 HOH 18 118 30 HOH HOH A . 
B 2 HOH 19 119 28 HOH HOH A . 
B 2 HOH 20 120 46 HOH HOH A . 
B 2 HOH 21 121 7  HOH HOH A . 
B 2 HOH 22 122 43 HOH HOH A . 
B 2 HOH 23 123 51 HOH HOH A . 
B 2 HOH 24 124 36 HOH HOH A . 
B 2 HOH 25 125 40 HOH HOH A . 
B 2 HOH 26 126 8  HOH HOH A . 
B 2 HOH 27 127 23 HOH HOH A . 
B 2 HOH 28 128 26 HOH HOH A . 
B 2 HOH 29 129 16 HOH HOH A . 
B 2 HOH 30 130 38 HOH HOH A . 
B 2 HOH 31 131 22 HOH HOH A . 
B 2 HOH 32 132 50 HOH HOH A . 
B 2 HOH 33 133 4  HOH HOH A . 
B 2 HOH 34 134 17 HOH HOH A . 
B 2 HOH 35 135 15 HOH HOH A . 
B 2 HOH 36 136 11 HOH HOH A . 
B 2 HOH 37 137 2  HOH HOH A . 
B 2 HOH 38 138 27 HOH HOH A . 
B 2 HOH 39 139 33 HOH HOH A . 
B 2 HOH 40 140 29 HOH HOH A . 
B 2 HOH 41 141 20 HOH HOH A . 
B 2 HOH 42 142 35 HOH HOH A . 
B 2 HOH 43 143 31 HOH HOH A . 
B 2 HOH 44 144 10 HOH HOH A . 
B 2 HOH 45 145 13 HOH HOH A . 
B 2 HOH 46 146 5  HOH HOH A . 
B 2 HOH 47 147 54 HOH HOH A . 
B 2 HOH 48 148 42 HOH HOH A . 
B 2 HOH 49 149 55 HOH HOH A . 
B 2 HOH 50 150 34 HOH HOH A . 
B 2 HOH 51 151 18 HOH HOH A . 
B 2 HOH 52 152 56 HOH HOH A . 
B 2 HOH 53 153 47 HOH HOH A . 
B 2 HOH 54 154 52 HOH HOH A . 
B 2 HOH 55 155 53 HOH HOH A . 
B 2 HOH 56 156 49 HOH HOH A . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.8.0425 1 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? 1.18.2   2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? .        3 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? .        4 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? .        5 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  120.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9CSQ 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     43.405 
_cell.length_a_esd                 ? 
_cell.length_b                     43.405 
_cell.length_b_esd                 ? 
_cell.length_c                     123.136 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        18 
_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                         9CSQ 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                155 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'H 3 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   9CSQ 
_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             2.20 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          43.97 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              6.5 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    
'0.2 M Calcium acetate hydrate, 0.1 M Sodium cacodylate trihydrate pH 6.5, 18% w/v Polyethylene glycol 8,000' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     99 
_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 EIGER2 S 9M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2024-06-21 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.000050 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'ALS BEAMLINE 8.2.1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.000050 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   8.2.1 
_diffrn_source.pdbx_synchrotron_site       ALS 
# 
_reflns.B_iso_Wilson_estimate                          27.64 
_reflns.entry_id                                       9CSQ 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.54 
_reflns.d_resolution_low                               41.05 
_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                                     6923 
_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                           99.9 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                9.4 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          19.0 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               1.02 
_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                                0.058 
_reflns.pdbx_Rpim_I_all                                0.025 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.998 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.052 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.54 
_reflns_shell.d_res_low                                     1.57 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           2.5 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             339 
_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                               9.9 
_reflns_shell.pdbx_chi_squared                              0.61 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               0.805 
_reflns_shell.pdbx_Rpim_I_all                               0.346 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.952 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          100.0 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.725 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            -0.005 
_refine.aniso_B[1][2]                            -0.002 
_refine.aniso_B[1][3]                            0.000 
_refine.aniso_B[2][2]                            -0.005 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            0.015 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               29.087 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.972 
_refine.correlation_coeff_Fo_to_Fc_free          0.972 
_refine.details                                  'Hydrogens have been added in their riding positions' 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9CSQ 
_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                            1.540 
_refine.ls_d_res_low                             35.952 
_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                     6881 
_refine.ls_number_reflns_R_free                  687 
_refine.ls_number_reflns_R_work                  6194 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.279 
_refine.ls_percent_reflns_R_free                 9.984 
_refine.ls_R_factor_all                          0.225 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2448 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2221 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'MASK BULK SOLVENT' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.103 
_refine.pdbx_overall_ESU_R_Free                  0.098 
_refine.pdbx_solvent_vdw_probe_radii             1.200 
_refine.pdbx_solvent_ion_probe_radii             0.800 
_refine.pdbx_solvent_shrinkage_radii             0.800 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             2.854 
_refine.overall_SU_ML                            0.094 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.540 
_refine_hist.d_res_low                        35.952 
_refine_hist.number_atoms_solvent             56 
_refine_hist.number_atoms_total               391 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        0 
_refine_hist.pdbx_number_atoms_nucleic_acid   335 
_refine_hist.pdbx_number_atoms_ligand         0 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.013 0.011  374 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.002 0.019  154 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 2.481 1.972  580 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.832 1.814  378 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 0.240 5.000  9   ? r_dihedral_angle_other_2_deg   ? ? 
'X-RAY DIFFRACTION' ? 0.105 0.200  79  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.018 0.020  180 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001 0.020  58  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.092 0.200  46  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.211 0.200  180 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.240 0.200  149 ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.086 0.200  92  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.269 0.200  41  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.099 0.200  27  ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.150 0.200  66  ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.219 0.200  27  ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 3.157 3.474  374 ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 3.153 3.472  375 ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 4.230 6.341  580 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 4.227 6.338  581 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 5.452 52.430 542 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 5.341 50.814 524 ? r_lrange_other                 ? ? 
# 
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' 1.540 1.580  497 . 50 446 99.7988  . 0.341 . . 0.337 . . . . . 0.307 . 20 . 0.922 0.901 0.373 
'X-RAY DIFFRACTION' 1.580 1.623  501 . 50 451 100.0000 . 0.312 . . 0.305 . . . . . 0.274 . 20 . 0.927 0.883 0.378 
'X-RAY DIFFRACTION' 1.623 1.670  477 . 48 426 99.3711  . 0.336 . . 0.324 . . . . . 0.284 . 20 . 0.925 0.894 0.436 
'X-RAY DIFFRACTION' 1.670 1.722  452 . 44 404 99.1150  . 0.299 . . 0.295 . . . . . 0.267 . 20 . 0.942 0.918 0.331 
'X-RAY DIFFRACTION' 1.722 1.778  444 . 43 395 98.6487  . 0.314 . . 0.314 . . . . . 0.280 . 20 . 0.931 0.921 0.316 
'X-RAY DIFFRACTION' 1.778 1.840  431 . 43 387 99.7680  . 0.299 . . 0.292 . . . . . 0.260 . 20 . 0.944 0.914 0.376 
'X-RAY DIFFRACTION' 1.840 1.909  433 . 43 386 99.0762  . 0.307 . . 0.298 . . . . . 0.272 . 20 . 0.940 0.900 0.387 
'X-RAY DIFFRACTION' 1.909 1.987  400 . 40 360 100.0000 . 0.328 . . 0.323 . . . . . 0.294 . 20 . 0.918 0.905 0.371 
'X-RAY DIFFRACTION' 1.987 2.075  388 . 38 350 100.0000 . 0.319 . . 0.306 . . . . . 0.296 . 20 . 0.940 0.880 0.443 
'X-RAY DIFFRACTION' 2.075 2.176  377 . 37 339 99.7347  . 0.305 . . 0.303 . . . . . 0.291 . 20 . 0.943 0.944 0.323 
'X-RAY DIFFRACTION' 2.176 2.293  359 . 36 323 100.0000 . 0.281 . . 0.281 . . . . . 0.279 . 20 . 0.949 0.966 0.285 
'X-RAY DIFFRACTION' 2.293 2.432  335 . 34 301 100.0000 . 0.300 . . 0.287 . . . . . 0.294 . 20 . 0.948 0.907 0.417 
'X-RAY DIFFRACTION' 2.432 2.599  321 . 32 288 99.6885  . 0.274 . . 0.269 . . . . . 0.292 . 20 . 0.958 0.945 0.323 
'X-RAY DIFFRACTION' 2.599 2.806  293 . 29 264 100.0000 . 0.255 . . 0.248 . . . . . 0.279 . 20 . 0.961 0.955 0.321 
'X-RAY DIFFRACTION' 2.806 3.072  281 . 27 247 97.5089  . 0.210 . . 0.208 . . . . . 0.248 . 20 . 0.976 0.966 0.224 
'X-RAY DIFFRACTION' 3.072 3.431  259 . 25 220 94.5946  . 0.187 . . 0.183 . . . . . 0.217 . 20 . 0.981 0.977 0.214 
'X-RAY DIFFRACTION' 3.431 3.956  225 . 23 195 96.8889  . 0.186 . . 0.182 . . . . . 0.226 . 20 . 0.982 0.979 0.214 
'X-RAY DIFFRACTION' 3.956 4.831  197 . 19 178 100.0000 . 0.155 . . 0.154 . . . . . 0.244 . 20 . 0.986 0.987 0.156 
'X-RAY DIFFRACTION' 4.831 6.771  156 . 16 140 100.0000 . 0.156 . . 0.156 . . . . . 0.269 . 20 . 0.984 0.986 0.156 
'X-RAY DIFFRACTION' 6.771 35.952 103 . 10 93  100.0000 . 0.170 . . 0.175 . . . . . 0.251 . 20 . 0.979 0.980 0.125 
# 
_struct.entry_id                     9CSQ 
_struct.title                        '16mer self-complementary duplex RNA with s(2)C:I pair sequence 1' 
_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        9CSQ 
_struct_keywords.text            '2-Thiocytidine, Inosine, Nucleobase Modification, Non-Canonical Base Pair, RNA, Origin of Life' 
_struct_keywords.pdbx_keywords   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 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    PDB 
_struct_ref.db_code                    9CSQ 
_struct_ref.pdbx_db_accession          9CSQ 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   ? 
_struct_ref.pdbx_align_begin           1 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9CSQ 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 16 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             9CSQ 
_struct_ref_seq.db_align_beg                  1 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  16 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       1 
_struct_ref_seq.pdbx_auth_seq_align_end       16 
# 
_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)' 1430 ? 
1 MORE         -5   ? 
1 'SSA (A^2)'  5810 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2 
_pdbx_struct_assembly_gen.asym_id_list      A,B 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1 'identity operation'         1_555 x,y,z      1.0000000000  0.0000000000  0.0000000000 0.0000000000 0.0000000000  1.0000000000 
0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000  0.0000000000 
2 'crystal symmetry operation' 6_555 -x,-x+y,-z -0.5000000000 -0.8660254038 0.0000000000 0.0000000000 -0.8660254038 0.5000000000 
0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 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 ? A U   14 "O3'" ? ? ? 1_555 A RSP 15 P  ? ? A U   14 A RSP 15 1_555 ? ? ? ? ? ? ?            1.594 ? ? 
covale2  covale both ? A RSP 15 "O3'" ? ? ? 1_555 A U   16 P  ? ? A RSP 15 A U   16 1_555 ? ? ? ? ? ? ?            1.598 ? ? 
hydrog1  hydrog ?    ? A A   1  N1    ? ? ? 1_555 A U   16 N3 ? ? A A   1  A U   16 6_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog2  hydrog ?    ? A A   1  N6    ? ? ? 1_555 A U   16 O4 ? ? A A   1  A U   16 6_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog3  hydrog ?    ? A I   2  N1    ? ? ? 1_555 A RSP 15 N3 ? ? A I   2  A RSP 15 6_555 ? ? ? ? ? ? TYPE_29_PAIR ?     ? ? 
hydrog4  hydrog ?    ? A I   2  O6    ? ? ? 1_555 A RSP 15 N4 ? ? A I   2  A RSP 15 6_555 ? ? ? ? ? ? TYPE_29_PAIR ?     ? ? 
hydrog5  hydrog ?    ? A A   3  N1    ? ? ? 1_555 A U   14 N3 ? ? A A   3  A U   14 6_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog6  hydrog ?    ? A A   3  N6    ? ? ? 1_555 A U   14 O4 ? ? A A   3  A U   14 6_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog7  hydrog ?    ? A G   4  N1    ? ? ? 1_555 A C   13 N3 ? ? A G   4  A C   13 6_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog8  hydrog ?    ? A G   4  N2    ? ? ? 1_555 A C   13 O2 ? ? A G   4  A C   13 6_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog9  hydrog ?    ? A G   4  O6    ? ? ? 1_555 A C   13 N4 ? ? A G   4  A C   13 6_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog10 hydrog ?    ? A A   5  N1    ? ? ? 1_555 A U   12 N3 ? ? A A   5  A U   12 6_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog11 hydrog ?    ? A A   5  N6    ? ? ? 1_555 A U   12 O4 ? ? A A   5  A U   12 6_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog12 hydrog ?    ? A A   6  N1    ? ? ? 1_555 A U   11 N3 ? ? A A   6  A U   11 6_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog13 hydrog ?    ? A A   6  N6    ? ? ? 1_555 A U   11 O4 ? ? A A   6  A U   11 6_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog14 hydrog ?    ? A G   7  N1    ? ? ? 1_555 A C   10 N3 ? ? A G   7  A C   10 6_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog15 hydrog ?    ? A G   7  N2    ? ? ? 1_555 A C   10 O2 ? ? A G   7  A C   10 6_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog16 hydrog ?    ? A G   7  O6    ? ? ? 1_555 A C   10 N4 ? ? A G   7  A C   10 6_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog17 hydrog ?    ? A A   8  N1    ? ? ? 1_555 A U   9  N3 ? ? A A   8  A U   9  6_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog18 hydrog ?    ? A A   8  N6    ? ? ? 1_555 A U   9  O4 ? ? A A   8  A U   9  6_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog19 hydrog ?    ? A U   9  N3    ? ? ? 1_555 A A   8  N1 ? ? A U   9  A A   8  6_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog20 hydrog ?    ? A U   9  O4    ? ? ? 1_555 A A   8  N6 ? ? A U   9  A A   8  6_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog21 hydrog ?    ? A C   10 N3    ? ? ? 1_555 A G   7  N1 ? ? A C   10 A G   7  6_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog22 hydrog ?    ? A C   10 N4    ? ? ? 1_555 A G   7  O6 ? ? A C   10 A G   7  6_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog23 hydrog ?    ? A C   10 O2    ? ? ? 1_555 A G   7  N2 ? ? A C   10 A G   7  6_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog24 hydrog ?    ? A U   11 N3    ? ? ? 1_555 A A   6  N1 ? ? A U   11 A A   6  6_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog25 hydrog ?    ? A U   11 O4    ? ? ? 1_555 A A   6  N6 ? ? A U   11 A A   6  6_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog26 hydrog ?    ? A U   12 N3    ? ? ? 1_555 A A   5  N1 ? ? A U   12 A A   5  6_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog27 hydrog ?    ? A U   12 O4    ? ? ? 1_555 A A   5  N6 ? ? A U   12 A A   5  6_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog28 hydrog ?    ? A C   13 N3    ? ? ? 1_555 A G   4  N1 ? ? A C   13 A G   4  6_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog29 hydrog ?    ? A C   13 N4    ? ? ? 1_555 A G   4  O6 ? ? A C   13 A G   4  6_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog30 hydrog ?    ? A C   13 O2    ? ? ? 1_555 A G   4  N2 ? ? A C   13 A G   4  6_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog31 hydrog ?    ? A U   14 N3    ? ? ? 1_555 A A   3  N1 ? ? A U   14 A A   3  6_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog32 hydrog ?    ? A U   14 O4    ? ? ? 1_555 A A   3  N6 ? ? A U   14 A A   3  6_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog33 hydrog ?    ? A RSP 15 N3    ? ? ? 1_555 A I   2  N1 ? ? A RSP 15 A I   2  6_555 ? ? ? ? ? ? TYPE_29_PAIR ?     ? ? 
hydrog34 hydrog ?    ? A RSP 15 N4    ? ? ? 1_555 A I   2  O6 ? ? A RSP 15 A I   2  6_555 ? ? ? ? ? ? TYPE_29_PAIR ?     ? ? 
hydrog35 hydrog ?    ? A U   16 N3    ? ? ? 1_555 A A   1  N1 ? ? A U   16 A A   1  6_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog36 hydrog ?    ? A U   16 O4    ? ? ? 1_555 A A   1  N6 ? ? A U   16 A A   1  6_555 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
covale ? ? 
hydrog ? ? 
# 
_pdbx_entry_details.entry_id                   9CSQ 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 O A HOH 144 ? ? O A HOH 155 ? ? 2.00 
2 1 O A HOH 105 ? ? O A HOH 155 ? ? 2.18 
# 
loop_
_pdbx_validate_symm_contact.id 
_pdbx_validate_symm_contact.PDB_model_num 
_pdbx_validate_symm_contact.auth_atom_id_1 
_pdbx_validate_symm_contact.auth_asym_id_1 
_pdbx_validate_symm_contact.auth_comp_id_1 
_pdbx_validate_symm_contact.auth_seq_id_1 
_pdbx_validate_symm_contact.PDB_ins_code_1 
_pdbx_validate_symm_contact.label_alt_id_1 
_pdbx_validate_symm_contact.site_symmetry_1 
_pdbx_validate_symm_contact.auth_atom_id_2 
_pdbx_validate_symm_contact.auth_asym_id_2 
_pdbx_validate_symm_contact.auth_comp_id_2 
_pdbx_validate_symm_contact.auth_seq_id_2 
_pdbx_validate_symm_contact.PDB_ins_code_2 
_pdbx_validate_symm_contact.label_alt_id_2 
_pdbx_validate_symm_contact.site_symmetry_2 
_pdbx_validate_symm_contact.dist 
1 1 O A HOH 106 ? ? 1_555 O A HOH 113 ? ? 12_455 2.12 
2 1 O A HOH 133 ? ? 1_555 O A HOH 147 ? ? 3_655  2.15 
# 
loop_
_pdbx_validate_rmsd_angle.id 
_pdbx_validate_rmsd_angle.PDB_model_num 
_pdbx_validate_rmsd_angle.auth_atom_id_1 
_pdbx_validate_rmsd_angle.auth_asym_id_1 
_pdbx_validate_rmsd_angle.auth_comp_id_1 
_pdbx_validate_rmsd_angle.auth_seq_id_1 
_pdbx_validate_rmsd_angle.PDB_ins_code_1 
_pdbx_validate_rmsd_angle.label_alt_id_1 
_pdbx_validate_rmsd_angle.auth_atom_id_2 
_pdbx_validate_rmsd_angle.auth_asym_id_2 
_pdbx_validate_rmsd_angle.auth_comp_id_2 
_pdbx_validate_rmsd_angle.auth_seq_id_2 
_pdbx_validate_rmsd_angle.PDB_ins_code_2 
_pdbx_validate_rmsd_angle.label_alt_id_2 
_pdbx_validate_rmsd_angle.auth_atom_id_3 
_pdbx_validate_rmsd_angle.auth_asym_id_3 
_pdbx_validate_rmsd_angle.auth_comp_id_3 
_pdbx_validate_rmsd_angle.auth_seq_id_3 
_pdbx_validate_rmsd_angle.PDB_ins_code_3 
_pdbx_validate_rmsd_angle.label_alt_id_3 
_pdbx_validate_rmsd_angle.angle_value 
_pdbx_validate_rmsd_angle.angle_target_value 
_pdbx_validate_rmsd_angle.angle_deviation 
_pdbx_validate_rmsd_angle.angle_standard_deviation 
_pdbx_validate_rmsd_angle.linker_flag 
1 1 "O5'" A G 7  ? ? P A G 7  ? ? OP2 A G 7  ? ? 91.76  105.70 -13.94 0.90 N 
2 1 "O3'" A U 9  ? ? P A C 10 ? ? OP2 A C 10 ? ? 117.89 110.50 7.39   1.10 Y 
3 1 "O5'" A C 10 ? ? P A C 10 ? ? OP2 A C 10 ? ? 98.42  105.70 -7.27  0.90 N 
4 1 "O3'" A U 11 ? ? P A U 12 ? ? OP2 A U 12 ? ? 118.02 110.50 7.52   1.10 Y 
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 A HOH 128 ? B HOH . 
2 1 A HOH 138 ? B HOH . 
3 1 A HOH 146 ? B HOH . 
4 1 A HOH 154 ? B HOH . 
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1  x,y,z                  
2  -y,x-y,z               
3  -x+y,-x,z              
4  x-y,-y,-z              
5  -x,-x+y,-z             
6  y,x,-z                 
7  x+1/3,y+2/3,z+2/3      
8  -y+1/3,x-y+2/3,z+2/3   
9  -x+y+1/3,-x+2/3,z+2/3  
10 x-y+1/3,-y+2/3,-z+2/3  
11 -x+1/3,-x+y+2/3,-z+2/3 
12 y+1/3,x+2/3,-z+2/3     
13 x+2/3,y+1/3,z+1/3      
14 -y+2/3,x-y+1/3,z+1/3   
15 -x+y+2/3,-x+1/3,z+1/3  
16 x-y+2/3,-y+1/3,-z+1/3  
17 -x+2/3,-x+y+1/3,-z+1/3 
18 y+2/3,x+1/3,-z+1/3     
# 
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 
A   OP3    O N N 1   
A   P      P N N 2   
A   OP1    O N N 3   
A   OP2    O N N 4   
A   "O5'"  O N N 5   
A   "C5'"  C N N 6   
A   "C4'"  C N R 7   
A   "O4'"  O N N 8   
A   "C3'"  C N S 9   
A   "O3'"  O N N 10  
A   "C2'"  C N R 11  
A   "O2'"  O N N 12  
A   "C1'"  C N R 13  
A   N9     N Y N 14  
A   C8     C Y N 15  
A   N7     N Y N 16  
A   C5     C Y N 17  
A   C6     C Y N 18  
A   N6     N N N 19  
A   N1     N Y N 20  
A   C2     C Y N 21  
A   N3     N Y N 22  
A   C4     C Y N 23  
A   HOP3   H N N 24  
A   HOP2   H N N 25  
A   "H5'"  H N N 26  
A   "H5''" H N N 27  
A   "H4'"  H N N 28  
A   "H3'"  H N N 29  
A   "HO3'" H N N 30  
A   "H2'"  H N N 31  
A   "HO2'" H N N 32  
A   "H1'"  H N N 33  
A   H8     H N N 34  
A   H61    H N N 35  
A   H62    H N N 36  
A   H2     H N N 37  
C   OP3    O N N 38  
C   P      P N N 39  
C   OP1    O N N 40  
C   OP2    O N N 41  
C   "O5'"  O N N 42  
C   "C5'"  C N N 43  
C   "C4'"  C N R 44  
C   "O4'"  O N N 45  
C   "C3'"  C N S 46  
C   "O3'"  O N N 47  
C   "C2'"  C N R 48  
C   "O2'"  O N N 49  
C   "C1'"  C N R 50  
C   N1     N N N 51  
C   C2     C N N 52  
C   O2     O N N 53  
C   N3     N N N 54  
C   C4     C N N 55  
C   N4     N N N 56  
C   C5     C N N 57  
C   C6     C N N 58  
C   HOP3   H N N 59  
C   HOP2   H N N 60  
C   "H5'"  H N N 61  
C   "H5''" H N N 62  
C   "H4'"  H N N 63  
C   "H3'"  H N N 64  
C   "HO3'" H N N 65  
C   "H2'"  H N N 66  
C   "HO2'" H N N 67  
C   "H1'"  H N N 68  
C   H41    H N N 69  
C   H42    H N N 70  
C   H5     H N N 71  
C   H6     H N N 72  
G   OP3    O N N 73  
G   P      P N N 74  
G   OP1    O N N 75  
G   OP2    O N N 76  
G   "O5'"  O N N 77  
G   "C5'"  C N N 78  
G   "C4'"  C N R 79  
G   "O4'"  O N N 80  
G   "C3'"  C N S 81  
G   "O3'"  O N N 82  
G   "C2'"  C N R 83  
G   "O2'"  O N N 84  
G   "C1'"  C N R 85  
G   N9     N Y N 86  
G   C8     C Y N 87  
G   N7     N Y N 88  
G   C5     C Y N 89  
G   C6     C N N 90  
G   O6     O N N 91  
G   N1     N N N 92  
G   C2     C N N 93  
G   N2     N N N 94  
G   N3     N N N 95  
G   C4     C Y N 96  
G   HOP3   H N N 97  
G   HOP2   H N N 98  
G   "H5'"  H N N 99  
G   "H5''" H N N 100 
G   "H4'"  H N N 101 
G   "H3'"  H N N 102 
G   "HO3'" H N N 103 
G   "H2'"  H N N 104 
G   "HO2'" H N N 105 
G   "H1'"  H N N 106 
G   H8     H N N 107 
G   H1     H N N 108 
G   H21    H N N 109 
G   H22    H N N 110 
HOH O      O N N 111 
HOH H1     H N N 112 
HOH H2     H N N 113 
I   OP3    O N N 114 
I   P      P N N 115 
I   OP1    O N N 116 
I   OP2    O N N 117 
I   "O5'"  O N N 118 
I   "C5'"  C N N 119 
I   "C4'"  C N R 120 
I   "O4'"  O N N 121 
I   "C3'"  C N S 122 
I   "O3'"  O N N 123 
I   "C2'"  C N R 124 
I   "O2'"  O N N 125 
I   "C1'"  C N R 126 
I   N9     N Y N 127 
I   C8     C Y N 128 
I   N7     N Y N 129 
I   C5     C Y N 130 
I   C6     C N N 131 
I   O6     O N N 132 
I   N1     N N N 133 
I   C2     C N N 134 
I   N3     N N N 135 
I   C4     C Y N 136 
I   HOP3   H N N 137 
I   HOP2   H N N 138 
I   "H5'"  H N N 139 
I   "H5''" H N N 140 
I   "H4'"  H N N 141 
I   "H3'"  H N N 142 
I   "HO3'" H N N 143 
I   "H2'"  H N N 144 
I   "HO2'" H N N 145 
I   "H1'"  H N N 146 
I   H8     H N N 147 
I   H1     H N N 148 
I   H2     H N N 149 
RSP P      P N N 150 
RSP N1     N N N 151 
RSP C2     C N N 152 
RSP S2     S N N 153 
RSP N3     N N N 154 
RSP C4     C N N 155 
RSP N4     N N N 156 
RSP C5     C N N 157 
RSP C6     C N N 158 
RSP "C1'"  C N R 159 
RSP "C2'"  C N R 160 
RSP "O2'"  O N N 161 
RSP "C3'"  C N S 162 
RSP "O3'"  O N N 163 
RSP "C4'"  C N R 164 
RSP "O4'"  O N N 165 
RSP "C5'"  C N N 166 
RSP "O5'"  O N N 167 
RSP OP1    O N N 168 
RSP OP2    O N N 169 
RSP OP3    O N N 170 
RSP H5     H N N 171 
RSP H6     H N N 172 
RSP "H5'"  H N N 173 
RSP "H1'"  H N N 174 
RSP "H2'"  H N N 175 
RSP "HO2'" H N N 176 
RSP "H3'"  H N N 177 
RSP "H4'"  H N N 178 
RSP HN4    H N N 179 
RSP HN4A   H N N 180 
RSP "H5'A" H N N 181 
RSP "HO3'" H N N 182 
RSP HOP2   H N N 183 
RSP HOP3   H N N 184 
U   OP3    O N N 185 
U   P      P N N 186 
U   OP1    O N N 187 
U   OP2    O N N 188 
U   "O5'"  O N N 189 
U   "C5'"  C N N 190 
U   "C4'"  C N R 191 
U   "O4'"  O N N 192 
U   "C3'"  C N S 193 
U   "O3'"  O N N 194 
U   "C2'"  C N R 195 
U   "O2'"  O N N 196 
U   "C1'"  C N R 197 
U   N1     N N N 198 
U   C2     C N N 199 
U   O2     O N N 200 
U   N3     N N N 201 
U   C4     C N N 202 
U   O4     O N N 203 
U   C5     C N N 204 
U   C6     C N N 205 
U   HOP3   H N N 206 
U   HOP2   H N N 207 
U   "H5'"  H N N 208 
U   "H5''" H N N 209 
U   "H4'"  H N N 210 
U   "H3'"  H N N 211 
U   "HO3'" H N N 212 
U   "H2'"  H N N 213 
U   "HO2'" H N N 214 
U   "H1'"  H N N 215 
U   H3     H N N 216 
U   H5     H N N 217 
U   H6     H N N 218 
# 
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 
A   OP3    P      sing N N 1   
A   OP3    HOP3   sing N N 2   
A   P      OP1    doub N N 3   
A   P      OP2    sing N N 4   
A   P      "O5'"  sing N N 5   
A   OP2    HOP2   sing N N 6   
A   "O5'"  "C5'"  sing N N 7   
A   "C5'"  "C4'"  sing N N 8   
A   "C5'"  "H5'"  sing N N 9   
A   "C5'"  "H5''" sing N N 10  
A   "C4'"  "O4'"  sing N N 11  
A   "C4'"  "C3'"  sing N N 12  
A   "C4'"  "H4'"  sing N N 13  
A   "O4'"  "C1'"  sing N N 14  
A   "C3'"  "O3'"  sing N N 15  
A   "C3'"  "C2'"  sing N N 16  
A   "C3'"  "H3'"  sing N N 17  
A   "O3'"  "HO3'" sing N N 18  
A   "C2'"  "O2'"  sing N N 19  
A   "C2'"  "C1'"  sing N N 20  
A   "C2'"  "H2'"  sing N N 21  
A   "O2'"  "HO2'" sing N N 22  
A   "C1'"  N9     sing N N 23  
A   "C1'"  "H1'"  sing N N 24  
A   N9     C8     sing Y N 25  
A   N9     C4     sing Y N 26  
A   C8     N7     doub Y N 27  
A   C8     H8     sing N N 28  
A   N7     C5     sing Y N 29  
A   C5     C6     sing Y N 30  
A   C5     C4     doub Y N 31  
A   C6     N6     sing N N 32  
A   C6     N1     doub Y N 33  
A   N6     H61    sing N N 34  
A   N6     H62    sing N N 35  
A   N1     C2     sing Y N 36  
A   C2     N3     doub Y N 37  
A   C2     H2     sing N N 38  
A   N3     C4     sing Y N 39  
C   OP3    P      sing N N 40  
C   OP3    HOP3   sing N N 41  
C   P      OP1    doub N N 42  
C   P      OP2    sing N N 43  
C   P      "O5'"  sing N N 44  
C   OP2    HOP2   sing N N 45  
C   "O5'"  "C5'"  sing N N 46  
C   "C5'"  "C4'"  sing N N 47  
C   "C5'"  "H5'"  sing N N 48  
C   "C5'"  "H5''" sing N N 49  
C   "C4'"  "O4'"  sing N N 50  
C   "C4'"  "C3'"  sing N N 51  
C   "C4'"  "H4'"  sing N N 52  
C   "O4'"  "C1'"  sing N N 53  
C   "C3'"  "O3'"  sing N N 54  
C   "C3'"  "C2'"  sing N N 55  
C   "C3'"  "H3'"  sing N N 56  
C   "O3'"  "HO3'" sing N N 57  
C   "C2'"  "O2'"  sing N N 58  
C   "C2'"  "C1'"  sing N N 59  
C   "C2'"  "H2'"  sing N N 60  
C   "O2'"  "HO2'" sing N N 61  
C   "C1'"  N1     sing N N 62  
C   "C1'"  "H1'"  sing N N 63  
C   N1     C2     sing N N 64  
C   N1     C6     sing N N 65  
C   C2     O2     doub N N 66  
C   C2     N3     sing N N 67  
C   N3     C4     doub N N 68  
C   C4     N4     sing N N 69  
C   C4     C5     sing N N 70  
C   N4     H41    sing N N 71  
C   N4     H42    sing N N 72  
C   C5     C6     doub N N 73  
C   C5     H5     sing N N 74  
C   C6     H6     sing N N 75  
G   OP3    P      sing N N 76  
G   OP3    HOP3   sing N N 77  
G   P      OP1    doub N N 78  
G   P      OP2    sing N N 79  
G   P      "O5'"  sing N N 80  
G   OP2    HOP2   sing N N 81  
G   "O5'"  "C5'"  sing N N 82  
G   "C5'"  "C4'"  sing N N 83  
G   "C5'"  "H5'"  sing N N 84  
G   "C5'"  "H5''" sing N N 85  
G   "C4'"  "O4'"  sing N N 86  
G   "C4'"  "C3'"  sing N N 87  
G   "C4'"  "H4'"  sing N N 88  
G   "O4'"  "C1'"  sing N N 89  
G   "C3'"  "O3'"  sing N N 90  
G   "C3'"  "C2'"  sing N N 91  
G   "C3'"  "H3'"  sing N N 92  
G   "O3'"  "HO3'" sing N N 93  
G   "C2'"  "O2'"  sing N N 94  
G   "C2'"  "C1'"  sing N N 95  
G   "C2'"  "H2'"  sing N N 96  
G   "O2'"  "HO2'" sing N N 97  
G   "C1'"  N9     sing N N 98  
G   "C1'"  "H1'"  sing N N 99  
G   N9     C8     sing Y N 100 
G   N9     C4     sing Y N 101 
G   C8     N7     doub Y N 102 
G   C8     H8     sing N N 103 
G   N7     C5     sing Y N 104 
G   C5     C6     sing N N 105 
G   C5     C4     doub Y N 106 
G   C6     O6     doub N N 107 
G   C6     N1     sing N N 108 
G   N1     C2     sing N N 109 
G   N1     H1     sing N N 110 
G   C2     N2     sing N N 111 
G   C2     N3     doub N N 112 
G   N2     H21    sing N N 113 
G   N2     H22    sing N N 114 
G   N3     C4     sing N N 115 
HOH O      H1     sing N N 116 
HOH O      H2     sing N N 117 
I   OP3    P      sing N N 118 
I   OP3    HOP3   sing N N 119 
I   P      OP1    doub N N 120 
I   P      OP2    sing N N 121 
I   P      "O5'"  sing N N 122 
I   OP2    HOP2   sing N N 123 
I   "O5'"  "C5'"  sing N N 124 
I   "C5'"  "C4'"  sing N N 125 
I   "C5'"  "H5'"  sing N N 126 
I   "C5'"  "H5''" sing N N 127 
I   "C4'"  "O4'"  sing N N 128 
I   "C4'"  "C3'"  sing N N 129 
I   "C4'"  "H4'"  sing N N 130 
I   "O4'"  "C1'"  sing N N 131 
I   "C3'"  "O3'"  sing N N 132 
I   "C3'"  "C2'"  sing N N 133 
I   "C3'"  "H3'"  sing N N 134 
I   "O3'"  "HO3'" sing N N 135 
I   "C2'"  "O2'"  sing N N 136 
I   "C2'"  "C1'"  sing N N 137 
I   "C2'"  "H2'"  sing N N 138 
I   "O2'"  "HO2'" sing N N 139 
I   "C1'"  N9     sing N N 140 
I   "C1'"  "H1'"  sing N N 141 
I   N9     C8     sing Y N 142 
I   N9     C4     sing Y N 143 
I   C8     N7     doub Y N 144 
I   C8     H8     sing N N 145 
I   N7     C5     sing Y N 146 
I   C5     C6     sing N N 147 
I   C5     C4     doub Y N 148 
I   C6     O6     doub N N 149 
I   C6     N1     sing N N 150 
I   N1     C2     sing N N 151 
I   N1     H1     sing N N 152 
I   C2     N3     doub N N 153 
I   C2     H2     sing N N 154 
I   N3     C4     sing N N 155 
RSP OP1    P      doub N N 156 
RSP OP3    P      sing N N 157 
RSP P      OP2    sing N N 158 
RSP P      "O5'"  sing N N 159 
RSP C6     N1     sing N N 160 
RSP N1     C2     sing N N 161 
RSP N1     "C1'"  sing N N 162 
RSP N3     C2     sing N N 163 
RSP C2     S2     doub N N 164 
RSP C4     N3     doub N N 165 
RSP N4     C4     sing N N 166 
RSP C5     C4     sing N N 167 
RSP HN4    N4     sing N N 168 
RSP N4     HN4A   sing N N 169 
RSP H5     C5     sing N N 170 
RSP C5     C6     doub N N 171 
RSP H6     C6     sing N N 172 
RSP "O4'"  "C1'"  sing N N 173 
RSP "C1'"  "H1'"  sing N N 174 
RSP "C1'"  "C2'"  sing N N 175 
RSP "C3'"  "C2'"  sing N N 176 
RSP "C2'"  "H2'"  sing N N 177 
RSP "C2'"  "O2'"  sing N N 178 
RSP "O2'"  "HO2'" sing N N 179 
RSP "C4'"  "C3'"  sing N N 180 
RSP "H3'"  "C3'"  sing N N 181 
RSP "C3'"  "O3'"  sing N N 182 
RSP "O3'"  "HO3'" sing N N 183 
RSP "C5'"  "C4'"  sing N N 184 
RSP "O4'"  "C4'"  sing N N 185 
RSP "C4'"  "H4'"  sing N N 186 
RSP "O5'"  "C5'"  sing N N 187 
RSP "H5'A" "C5'"  sing N N 188 
RSP "C5'"  "H5'"  sing N N 189 
RSP OP2    HOP2   sing N N 190 
RSP OP3    HOP3   sing N N 191 
U   OP3    P      sing N N 192 
U   OP3    HOP3   sing N N 193 
U   P      OP1    doub N N 194 
U   P      OP2    sing N N 195 
U   P      "O5'"  sing N N 196 
U   OP2    HOP2   sing N N 197 
U   "O5'"  "C5'"  sing N N 198 
U   "C5'"  "C4'"  sing N N 199 
U   "C5'"  "H5'"  sing N N 200 
U   "C5'"  "H5''" sing N N 201 
U   "C4'"  "O4'"  sing N N 202 
U   "C4'"  "C3'"  sing N N 203 
U   "C4'"  "H4'"  sing N N 204 
U   "O4'"  "C1'"  sing N N 205 
U   "C3'"  "O3'"  sing N N 206 
U   "C3'"  "C2'"  sing N N 207 
U   "C3'"  "H3'"  sing N N 208 
U   "O3'"  "HO3'" sing N N 209 
U   "C2'"  "O2'"  sing N N 210 
U   "C2'"  "C1'"  sing N N 211 
U   "C2'"  "H2'"  sing N N 212 
U   "O2'"  "HO2'" sing N N 213 
U   "C1'"  N1     sing N N 214 
U   "C1'"  "H1'"  sing N N 215 
U   N1     C2     sing N N 216 
U   N1     C6     sing N N 217 
U   C2     O2     doub N N 218 
U   C2     N3     sing N N 219 
U   N3     C4     sing N N 220 
U   N3     H3     sing N N 221 
U   C4     O4     doub N N 222 
U   C4     C5     sing N N 223 
U   C5     C6     doub N N 224 
U   C5     H5     sing N N 225 
U   C6     H6     sing N N 226 
# 
loop_
_ndb_struct_conf_na.entry_id 
_ndb_struct_conf_na.feature 
9CSQ 'a-form double helix'  
9CSQ 'mismatched base pair' 
# 
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 A   1  1_555 A U   16 6_555 0.016  0.036  -0.032 -4.752 -9.419  -2.599 1  A_A1:U16_A   A 1  ? A 16 ? 20 1 
1 A I   2  1_555 A RSP 15 6_555 -0.306 -0.226 0.035  2.828  -11.951 -3.309 2  A_I2:RSP15_A A 2  ? A 15 ? 29 1 
1 A A   3  1_555 A U   14 6_555 0.056  -0.173 0.026  2.506  -13.321 3.055  3  A_A3:U14_A   A 3  ? A 14 ? 20 1 
1 A G   4  1_555 A C   13 6_555 -0.548 -0.197 -0.136 -3.671 -10.911 0.667  4  A_G4:C13_A   A 4  ? A 13 ? 19 1 
1 A A   5  1_555 A U   12 6_555 -0.038 -0.152 -0.088 -9.071 -5.731  1.254  5  A_A5:U12_A   A 5  ? A 12 ? 20 1 
1 A A   6  1_555 A U   11 6_555 0.244  -0.217 -0.104 -6.034 -9.626  -0.948 6  A_A6:U11_A   A 6  ? A 11 ? 20 1 
1 A G   7  1_555 A C   10 6_555 -0.118 -0.123 0.084  -6.415 -14.784 0.562  7  A_G7:C10_A   A 7  ? A 10 ? 19 1 
1 A A   8  1_555 A U   9  6_555 -0.084 -0.276 0.081  -0.940 -12.261 3.209  8  A_A8:U9_A    A 8  ? A 9  ? 20 1 
1 A U   9  1_555 A A   8  6_555 0.084  -0.276 0.081  0.940  -12.261 3.209  9  A_U9:A8_A    A 9  ? A 8  ? 20 1 
1 A C   10 1_555 A G   7  6_555 0.118  -0.123 0.084  6.415  -14.784 0.562  10 A_C10:G7_A   A 10 ? A 7  ? 19 1 
1 A U   11 1_555 A A   6  6_555 -0.244 -0.217 -0.104 6.034  -9.626  -0.948 11 A_U11:A6_A   A 11 ? A 6  ? 20 1 
1 A U   12 1_555 A A   5  6_555 0.038  -0.152 -0.088 9.071  -5.731  1.254  12 A_U12:A5_A   A 12 ? A 5  ? 20 1 
1 A C   13 1_555 A G   4  6_555 0.548  -0.197 -0.136 3.671  -10.911 0.667  13 A_C13:G4_A   A 13 ? A 4  ? 19 1 
1 A U   14 1_555 A A   3  6_555 -0.056 -0.173 0.026  -2.506 -13.321 3.055  14 A_U14:A3_A   A 14 ? A 3  ? 20 1 
1 A RSP 15 1_555 A I   2  6_555 0.306  -0.226 0.035  -2.828 -11.951 -3.309 15 A_RSP15:I2_A A 15 ? A 2  ? 29 1 
1 A U   16 1_555 A A   1  6_555 -0.016 0.036  -0.032 4.752  -9.419  -2.599 16 A_U16:A1_A   A 16 ? A 1  ? 20 1 
# 
loop_
_ndb_struct_na_base_pair_step.model_number 
_ndb_struct_na_base_pair_step.i_label_asym_id_1 
_ndb_struct_na_base_pair_step.i_label_comp_id_1 
_ndb_struct_na_base_pair_step.i_label_seq_id_1 
_ndb_struct_na_base_pair_step.i_symmetry_1 
_ndb_struct_na_base_pair_step.j_label_asym_id_1 
_ndb_struct_na_base_pair_step.j_label_comp_id_1 
_ndb_struct_na_base_pair_step.j_label_seq_id_1 
_ndb_struct_na_base_pair_step.j_symmetry_1 
_ndb_struct_na_base_pair_step.i_label_asym_id_2 
_ndb_struct_na_base_pair_step.i_label_comp_id_2 
_ndb_struct_na_base_pair_step.i_label_seq_id_2 
_ndb_struct_na_base_pair_step.i_symmetry_2 
_ndb_struct_na_base_pair_step.j_label_asym_id_2 
_ndb_struct_na_base_pair_step.j_label_comp_id_2 
_ndb_struct_na_base_pair_step.j_label_seq_id_2 
_ndb_struct_na_base_pair_step.j_symmetry_2 
_ndb_struct_na_base_pair_step.shift 
_ndb_struct_na_base_pair_step.slide 
_ndb_struct_na_base_pair_step.rise 
_ndb_struct_na_base_pair_step.tilt 
_ndb_struct_na_base_pair_step.roll 
_ndb_struct_na_base_pair_step.twist 
_ndb_struct_na_base_pair_step.x_displacement 
_ndb_struct_na_base_pair_step.y_displacement 
_ndb_struct_na_base_pair_step.helical_rise 
_ndb_struct_na_base_pair_step.inclination 
_ndb_struct_na_base_pair_step.tip 
_ndb_struct_na_base_pair_step.helical_twist 
_ndb_struct_na_base_pair_step.step_number 
_ndb_struct_na_base_pair_step.step_name 
_ndb_struct_na_base_pair_step.i_auth_asym_id_1 
_ndb_struct_na_base_pair_step.i_auth_seq_id_1 
_ndb_struct_na_base_pair_step.i_PDB_ins_code_1 
_ndb_struct_na_base_pair_step.j_auth_asym_id_1 
_ndb_struct_na_base_pair_step.j_auth_seq_id_1 
_ndb_struct_na_base_pair_step.j_PDB_ins_code_1 
_ndb_struct_na_base_pair_step.i_auth_asym_id_2 
_ndb_struct_na_base_pair_step.i_auth_seq_id_2 
_ndb_struct_na_base_pair_step.i_PDB_ins_code_2 
_ndb_struct_na_base_pair_step.j_auth_asym_id_2 
_ndb_struct_na_base_pair_step.j_auth_seq_id_2 
_ndb_struct_na_base_pair_step.j_PDB_ins_code_2 
1 A A   1  1_555 A U   16 6_555 A I   2  1_555 A RSP 15 6_555 -0.423 -1.156 3.015 -0.725 1.998  30.804 -2.525 0.667  2.945 3.756  
1.363  30.875 1  AA_A1I2:RSP15U16_AA A 1  ? A 16 ? A 2  ? A 15 ? 
1 A I   2  1_555 A RSP 15 6_555 A A   3  1_555 A U   14 6_555 0.619  -1.116 3.234 -0.678 7.788  34.780 -2.901 -1.105 2.912 12.829 
1.117  35.621 2  AA_I2A3:U14RSP15_AA A 2  ? A 15 ? A 3  ? A 14 ? 
1 A A   3  1_555 A U   14 6_555 A G   4  1_555 A C   13 6_555 -0.328 -1.690 3.252 -0.968 12.251 30.820 -4.826 0.428  2.431 21.987 
1.737  33.125 3  AA_A3G4:C13U14_AA   A 3  ? A 14 ? A 4  ? A 13 ? 
1 A G   4  1_555 A C   13 6_555 A A   5  1_555 A U   12 6_555 -0.004 -1.739 3.303 -1.693 13.957 32.144 -4.795 -0.224 2.366 23.834 
2.890  35.010 4  AA_G4A5:U12C13_AA   A 4  ? A 13 ? A 5  ? A 12 ? 
1 A A   5  1_555 A U   12 6_555 A A   6  1_555 A U   11 6_555 0.155  -1.529 3.190 2.234  8.896  32.767 -3.920 0.062  2.699 15.397 
-3.867 33.992 5  AA_A5A6:U11U12_AA   A 5  ? A 12 ? A 6  ? A 11 ? 
1 A A   6  1_555 A U   11 6_555 A G   7  1_555 A C   10 6_555 0.468  -2.010 3.135 1.565  9.074  28.283 -5.575 -0.626 2.410 17.976 
-3.101 29.715 6  AA_A6G7:C10U11_AA   A 6  ? A 11 ? A 7  ? A 10 ? 
1 A G   7  1_555 A C   10 6_555 A A   8  1_555 A U   9  6_555 -0.279 -1.604 3.088 -0.779 5.600  30.882 -3.915 0.383  2.768 10.408 
1.447  31.383 7  AA_G7A8:U9C10_AA    A 7  ? A 10 ? A 8  ? A 9  ? 
1 A A   8  1_555 A U   9  6_555 A U   9  1_555 A A   8  6_555 0.000  -1.069 3.105 0.000  8.089  31.773 -3.164 0.000  2.756 14.484 
0.000  32.761 8  AA_A8U9:A8U9_AA     A 8  ? A 9  ? A 9  ? A 8  ? 
1 A U   9  1_555 A A   8  6_555 A C   10 1_555 A G   7  6_555 0.279  -1.604 3.088 0.779  5.600  30.882 -3.915 -0.383 2.768 10.408 
-1.447 31.383 9  AA_U9C10:G7A8_AA    A 9  ? A 8  ? A 10 ? A 7  ? 
1 A C   10 1_555 A G   7  6_555 A U   11 1_555 A A   6  6_555 -0.468 -2.010 3.135 -1.565 9.074  28.283 -5.575 0.626  2.410 17.976 
3.101  29.715 10 AA_C10U11:A6G7_AA   A 10 ? A 7  ? A 11 ? A 6  ? 
1 A U   11 1_555 A A   6  6_555 A U   12 1_555 A A   5  6_555 -0.155 -1.529 3.190 -2.234 8.896  32.767 -3.920 -0.062 2.699 15.397 
3.867  33.992 11 AA_U11U12:A5A6_AA   A 11 ? A 6  ? A 12 ? A 5  ? 
1 A U   12 1_555 A A   5  6_555 A C   13 1_555 A G   4  6_555 0.004  -1.739 3.303 1.693  13.957 32.144 -4.795 0.224  2.366 23.834 
-2.890 35.010 12 AA_U12C13:G4A5_AA   A 12 ? A 5  ? A 13 ? A 4  ? 
1 A C   13 1_555 A G   4  6_555 A U   14 1_555 A A   3  6_555 0.328  -1.690 3.252 0.968  12.251 30.820 -4.826 -0.428 2.431 21.987 
-1.737 33.125 13 AA_C13U14:A3G4_AA   A 13 ? A 4  ? A 14 ? A 3  ? 
1 A U   14 1_555 A A   3  6_555 A RSP 15 1_555 A I   2  6_555 -0.619 -1.116 3.234 0.678  7.788  34.780 -2.901 1.105  2.912 12.829 
-1.117 35.621 14 AA_U14RSP15:I2A3_AA A 14 ? A 3  ? A 15 ? A 2  ? 
1 A RSP 15 1_555 A I   2  6_555 A U   16 1_555 A A   1  6_555 0.423  -1.156 3.015 0.725  1.998  30.804 -2.525 -0.667 2.945 3.756  
-1.363 30.875 15 AA_RSP15U16:A1I2_AA A 15 ? A 2  ? A 16 ? A 1  ? 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'National Science Foundation (NSF, United States)' 'United States' 2104708 1 
'Howard Hughes Medical Institute (HHMI)'           'United States' ?       2 
# 
_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   3ND4 
_pdbx_initial_refinement_model.details          ? 
# 
_space_group.name_H-M_alt     'R 3 2 :H' 
_space_group.name_Hall        
;R 3 2"
;
_space_group.IT_number        155 
_space_group.crystal_system   trigonal 
_space_group.id               1 
# 
_atom_sites.entry_id                    9CSQ 
_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]   0.023039 
_atom_sites.fract_transf_matrix[1][2]   0.013301 
_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]   0.026603 
_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]   0.008121 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.scat_dispersion_real 
_atom_type.scat_dispersion_imag 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
_atom_type.scat_source 
_atom_type.scat_dispersion_source 
C ? ? 3.54356 2.42580 ? ? 25.62398 1.50364  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
N ? ? 4.01032 2.96436 ? ? 19.97189 1.75589  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O ? ? 4.49882 3.47563 ? ? 15.80542 1.70748  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
P ? ? 9.51135 5.44231 ? ? 1.42069  35.72801 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
S ? ? 9.55732 6.39887 ? ? 1.23737  29.19336 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1   O "O5'" . A   A 1 1  ? 2.049  -12.740 -15.563 1.000 39.307 0 1   A   A "O5'" 1 
ATOM   2   C "C5'" . A   A 1 1  ? 0.735  -13.329 -15.517 1.000 36.632 0 1   A   A "C5'" 1 
ATOM   3   C "C4'" . A   A 1 1  ? 0.773  -14.748 -16.045 1.000 33.423 0 1   A   A "C4'" 1 
ATOM   4   O "O4'" . A   A 1 1  ? 1.148  -14.774 -17.437 1.000 34.332 0 1   A   A "O4'" 1 
ATOM   5   C "C3'" . A   A 1 1  ? 1.750  -15.736 -15.391 1.000 32.324 0 1   A   A "C3'" 1 
ATOM   6   O "O3'" . A   A 1 1  ? 1.159  -16.235 -14.205 1.000 35.408 0 1   A   A "O3'" 1 
ATOM   7   C "C2'" . A   A 1 1  ? 1.798  -16.803 -16.480 1.000 33.161 0 1   A   A "C2'" 1 
ATOM   8   O "O2'" . A   A 1 1  ? 0.601  -17.551 -16.582 1.000 36.402 0 1   A   A "O2'" 1 
ATOM   9   C "C1'" . A   A 1 1  ? 1.934  -15.909 -17.705 1.000 35.273 0 1   A   A "C1'" 1 
ATOM   10  N N9    . A   A 1 1  ? 3.283  -15.426 -18.005 1.000 32.054 0 1   A   A N9    1 
ATOM   11  C C8    . A   A 1 1  ? 3.755  -14.139 -17.879 1.000 35.895 0 1   A   A C8    1 
ATOM   12  N N7    . A   A 1 1  ? 4.996  -14.005 -18.269 1.000 34.847 0 1   A   A N7    1 
ATOM   13  C C5    . A   A 1 1  ? 5.375  -15.284 -18.665 1.000 30.943 0 1   A   A C5    1 
ATOM   14  C C6    . A   A 1 1  ? 6.576  -15.805 -19.160 1.000 28.642 0 1   A   A C6    1 
ATOM   15  N N6    . A   A 1 1  ? 7.670  -15.081 -19.393 1.000 28.434 0 1   A   A N6    1 
ATOM   16  N N1    . A   A 1 1  ? 6.620  -17.121 -19.473 1.000 28.901 0 1   A   A N1    1 
ATOM   17  C C2    . A   A 1 1  ? 5.523  -17.853 -19.271 1.000 31.772 0 1   A   A C2    1 
ATOM   18  N N3    . A   A 1 1  ? 4.345  -17.482 -18.768 1.000 36.772 0 1   A   A N3    1 
ATOM   19  C C4    . A   A 1 1  ? 4.324  -16.164 -18.507 1.000 32.380 0 1   A   A C4    1 
ATOM   20  P P     . I   A 1 2  ? 2.047  -16.641 -12.938 1.000 36.944 0 2   I   A P     1 
ATOM   21  O OP1   . I   A 1 2  ? 1.006  -16.674 -11.877 1.000 45.166 0 2   I   A OP1   1 
ATOM   22  O OP2   . I   A 1 2  ? 3.107  -15.599 -12.872 1.000 43.633 0 2   I   A OP2   1 
ATOM   23  O "O5'" . I   A 1 2  ? 2.597  -18.080 -13.357 1.000 39.714 0 2   I   A "O5'" 1 
ATOM   24  C "C5'" . I   A 1 2  ? 1.782  -19.126 -13.719 1.000 36.068 0 2   I   A "C5'" 1 
ATOM   25  C "C4'" . I   A 1 2  ? 2.592  -20.241 -14.389 1.000 34.528 0 2   I   A "C4'" 1 
ATOM   26  O "O4'" . I   A 1 2  ? 3.088  -19.864 -15.522 1.000 35.061 0 2   I   A "O4'" 1 
ATOM   27  C "C3'" . I   A 1 2  ? 3.849  -20.604 -13.541 1.000 33.764 0 2   I   A "C3'" 1 
ATOM   28  O "O3'" . I   A 1 2  ? 3.510  -21.440 -12.449 1.000 37.993 0 2   I   A "O3'" 1 
ATOM   29  C "C2'" . I   A 1 2  ? 4.678  -21.289 -14.579 1.000 37.663 0 2   I   A "C2'" 1 
ATOM   30  O "O2'" . I   A 1 2  ? 4.108  -22.592 -14.975 1.000 42.114 0 2   I   A "O2'" 1 
ATOM   31  C "C1'" . I   A 1 2  ? 4.418  -20.334 -15.714 1.000 35.775 0 2   I   A "C1'" 1 
ATOM   32  N N9    . I   A 1 2  ? 5.249  -19.204 -15.772 1.000 32.885 0 2   I   A N9    1 
ATOM   33  C C8    . I   A 1 2  ? 5.036  -17.932 -15.339 1.000 31.238 0 2   I   A C8    1 
ATOM   34  N N7    . I   A 1 2  ? 6.110  -17.161 -15.631 1.000 30.105 0 2   I   A N7    1 
ATOM   35  C C5    . I   A 1 2  ? 6.980  -17.974 -16.232 1.000 30.281 0 2   I   A C5    1 
ATOM   36  C C6    . I   A 1 2  ? 8.270  -17.713 -16.749 1.000 27.535 0 2   I   A C6    1 
ATOM   37  O O6    . I   A 1 2  ? 8.846  -16.577 -16.792 1.000 28.762 0 2   I   A O6    1 
ATOM   38  N N1    . I   A 1 2  ? 8.960  -18.810 -17.313 1.000 28.095 0 2   I   A N1    1 
ATOM   39  C C2    . I   A 1 2  ? 8.357  -20.094 -17.371 1.000 27.733 0 2   I   A C2    1 
ATOM   40  N N3    . I   A 1 2  ? 7.056  -20.311 -16.826 1.000 32.688 0 2   I   A N3    1 
ATOM   41  C C4    . I   A 1 2  ? 6.445  -19.247 -16.273 1.000 32.906 0 2   I   A C4    1 
ATOM   42  P P     . A   A 1 3  ? 4.279  -21.270 -11.057 1.000 38.016 0 3   A   A P     1 
ATOM   43  O OP1   . A   A 1 3  ? 3.678  -22.094 -9.965  1.000 38.223 0 3   A   A OP1   1 
ATOM   44  O OP2   . A   A 1 3  ? 4.422  -19.815 -10.746 1.000 42.128 0 3   A   A OP2   1 
ATOM   45  O "O5'" . A   A 1 3  ? 5.728  -21.859 -11.398 1.000 37.912 0 3   A   A "O5'" 1 
ATOM   46  C "C5'" . A   A 1 3  ? 5.802  -23.209 -11.897 1.000 36.691 0 3   A   A "C5'" 1 
ATOM   47  C "C4'" . A   A 1 3  ? 7.181  -23.454 -12.447 1.000 34.299 0 3   A   A "C4'" 1 
ATOM   48  O "O4'" . A   A 1 3  ? 7.363  -22.731 -13.687 1.000 35.465 0 3   A   A "O4'" 1 
ATOM   49  C "C3'" . A   A 1 3  ? 8.365  -22.992 -11.594 1.000 37.623 0 3   A   A "C3'" 1 
ATOM   50  O "O3'" . A   A 1 3  ? 8.702  -23.953 -10.613 1.000 40.750 0 3   A   A "O3'" 1 
ATOM   51  C "C2'" . A   A 1 3  ? 9.460  -22.986 -12.649 1.000 34.582 0 3   A   A "C2'" 1 
ATOM   52  O "O2'" . A   A 1 3  ? 9.787  -24.277 -13.090 1.000 37.729 0 3   A   A "O2'" 1 
ATOM   53  C "C1'" . A   A 1 3  ? 8.713  -22.295 -13.782 1.000 33.701 0 3   A   A "C1'" 1 
ATOM   54  N N9    . A   A 1 3  ? 8.763  -20.842 -13.681 1.000 32.797 0 3   A   A N9    1 
ATOM   55  C C8    . A   A 1 3  ? 7.806  -19.989 -13.194 1.000 31.689 0 3   A   A C8    1 
ATOM   56  N N7    . A   A 1 3  ? 8.157  -18.727 -13.220 1.000 31.258 0 3   A   A N7    1 
ATOM   57  C C5    . A   A 1 3  ? 9.408  -18.737 -13.794 1.000 29.679 0 3   A   A C5    1 
ATOM   58  C C6    . A   A 1 3  ? 10.293 -17.704 -14.158 1.000 28.047 0 3   A   A C6    1 
ATOM   59  N N6    . A   A 1 3  ? 10.032 -16.413 -13.957 1.000 29.451 0 3   A   A N6    1 
ATOM   60  N N1    . A   A 1 3  ? 11.474 -18.076 -14.701 1.000 28.887 0 3   A   A N1    1 
ATOM   61  C C2    . A   A 1 3  ? 11.720 -19.373 -14.941 1.000 30.319 0 3   A   A C2    1 
ATOM   62  N N3    . A   A 1 3  ? 10.960 -20.424 -14.663 1.000 33.247 0 3   A   A N3    1 
ATOM   63  C C4    . A   A 1 3  ? 9.808  -20.038 -14.084 1.000 30.894 0 3   A   A C4    1 
ATOM   64  P P     . G   A 1 4  ? 9.359  -23.488 -9.225  1.000 37.143 0 4   G   A P     1 
ATOM   65  O OP1   . G   A 1 4  ? 9.372  -24.749 -8.410  1.000 45.400 0 4   G   A OP1   1 
ATOM   66  O OP2   . G   A 1 4  ? 8.778  -22.271 -8.613  1.000 36.700 0 4   G   A OP2   1 
ATOM   67  O "O5'" . G   A 1 4  ? 10.912 -23.195 -9.560  1.000 38.262 0 4   G   A "O5'" 1 
ATOM   68  C "C5'" . G   A 1 4  ? 11.755 -24.256 -10.085 1.000 34.965 0 4   G   A "C5'" 1 
ATOM   69  C "C4'" . G   A 1 4  ? 13.121 -23.707 -10.422 1.000 39.674 0 4   G   A "C4'" 1 
ATOM   70  O "O4'" . G   A 1 4  ? 13.065 -22.990 -11.681 1.000 40.904 0 4   G   A "O4'" 1 
ATOM   71  C "C3'" . G   A 1 4  ? 13.762 -22.696 -9.464  1.000 39.709 0 4   G   A "C3'" 1 
ATOM   72  O "O3'" . G   A 1 4  ? 14.339 -23.349 -8.344  1.000 40.245 0 4   G   A "O3'" 1 
ATOM   73  C "C2'" . G   A 1 4  ? 14.835 -22.133 -10.403 1.000 37.420 0 4   G   A "C2'" 1 
ATOM   74  O "O2'" . G   A 1 4  ? 15.881 -23.040 -10.690 1.000 41.748 0 4   G   A "O2'" 1 
ATOM   75  C "C1'" . G   A 1 4  ? 13.983 -21.917 -11.644 1.000 36.956 0 4   G   A "C1'" 1 
ATOM   76  N N9    . G   A 1 4  ? 13.234 -20.676 -11.584 1.000 36.581 0 4   G   A N9    1 
ATOM   77  C C8    . G   A 1 4  ? 11.920 -20.483 -11.255 1.000 31.170 0 4   G   A C8    1 
ATOM   78  N N7    . G   A 1 4  ? 11.552 -19.221 -11.253 1.000 36.952 0 4   G   A N7    1 
ATOM   79  C C5    . G   A 1 4  ? 12.724 -18.547 -11.582 1.000 29.036 0 4   G   A C5    1 
ATOM   80  C C6    . G   A 1 4  ? 12.934 -17.166 -11.779 1.000 30.962 0 4   G   A C6    1 
ATOM   81  O O6    . G   A 1 4  ? 12.121 -16.259 -11.612 1.000 32.279 0 4   G   A O6    1 
ATOM   82  N N1    . G   A 1 4  ? 14.269 -16.902 -12.110 1.000 29.939 0 4   G   A N1    1 
ATOM   83  C C2    . G   A 1 4  ? 15.246 -17.853 -12.292 1.000 34.758 0 4   G   A C2    1 
ATOM   84  N N2    . G   A 1 4  ? 16.468 -17.426 -12.620 1.000 38.295 0 4   G   A N2    1 
ATOM   85  N N3    . G   A 1 4  ? 15.043 -19.167 -12.156 1.000 38.549 0 4   G   A N3    1 
ATOM   86  C C4    . G   A 1 4  ? 13.758 -19.426 -11.800 1.000 33.709 0 4   G   A C4    1 
ATOM   87  P P     . A   A 1 5  ? 14.290 -22.710 -6.881  1.000 40.743 0 5   A   A P     1 
ATOM   88  O OP1   . A   A 1 5  ? 14.801 -23.720 -5.903  1.000 49.966 0 5   A   A OP1   1 
ATOM   89  O OP2   . A   A 1 5  ? 13.022 -21.985 -6.584  1.000 40.605 0 5   A   A OP2   1 
ATOM   90  O "O5'" . A   A 1 5  ? 15.360 -21.533 -7.057  1.000 46.275 0 5   A   A "O5'" 1 
ATOM   91  C "C5'" . A   A 1 5  ? 16.723 -21.911 -7.422  1.000 42.589 0 5   A   A "C5'" 1 
ATOM   92  C "C4'" . A   A 1 5  ? 17.569 -20.672 -7.565  1.000 36.710 0 5   A   A "C4'" 1 
ATOM   93  O "O4'" . A   A 1 5  ? 17.201 -19.969 -8.785  1.000 32.199 0 5   A   A "O4'" 1 
ATOM   94  C "C3'" . A   A 1 5  ? 17.405 -19.620 -6.463  1.000 37.864 0 5   A   A "C3'" 1 
ATOM   95  O "O3'" . A   A 1 5  ? 18.063 -19.888 -5.224  1.000 39.406 0 5   A   A "O3'" 1 
ATOM   96  C "C2'" . A   A 1 5  ? 17.918 -18.371 -7.178  1.000 36.482 0 5   A   A "C2'" 1 
ATOM   97  O "O2'" . A   A 1 5  ? 19.319 -18.290 -7.254  1.000 36.459 0 5   A   A "O2'" 1 
ATOM   98  C "C1'" . A   A 1 5  ? 17.344 -18.579 -8.575  1.000 31.833 0 5   A   A "C1'" 1 
ATOM   99  N N9    . A   A 1 5  ? 16.039 -17.956 -8.722  1.000 32.613 0 5   A   A N9    1 
ATOM   100 C C8    . A   A 1 5  ? 14.812 -18.564 -8.668  1.000 32.509 0 5   A   A C8    1 
ATOM   101 N N7    . A   A 1 5  ? 13.825 -17.712 -8.696  1.000 34.060 0 5   A   A N7    1 
ATOM   102 C C5    . A   A 1 5  ? 14.436 -16.475 -8.804  1.000 31.361 0 5   A   A C5    1 
ATOM   103 C C6    . A   A 1 5  ? 13.919 -15.183 -8.945  1.000 34.091 0 5   A   A C6    1 
ATOM   104 N N6    . A   A 1 5  ? 12.619 -14.926 -8.977  1.000 36.259 0 5   A   A N6    1 
ATOM   105 N N1    . A   A 1 5  ? 14.801 -14.164 -9.001  1.000 33.281 0 5   A   A N1    1 
ATOM   106 C C2    . A   A 1 5  ? 16.109 -14.438 -8.941  1.000 35.116 0 5   A   A C2    1 
ATOM   107 N N3    . A   A 1 5  ? 16.706 -15.627 -8.849  1.000 33.177 0 5   A   A N3    1 
ATOM   108 C C4    . A   A 1 5  ? 15.800 -16.605 -8.787  1.000 32.977 0 5   A   A C4    1 
ATOM   109 P P     . A   A 1 6  ? 17.366 -19.415 -3.861  1.000 37.513 0 6   A   A P     1 
ATOM   110 O OP1   . A   A 1 6  ? 18.182 -20.095 -2.812  1.000 51.794 0 6   A   A OP1   1 
ATOM   111 O OP2   . A   A 1 6  ? 15.899 -19.581 -3.818  1.000 39.880 0 6   A   A OP2   1 
ATOM   112 O "O5'" . A   A 1 6  ? 17.772 -17.882 -3.714  1.000 40.876 0 6   A   A "O5'" 1 
ATOM   113 C "C5'" . A   A 1 6  ? 19.129 -17.527 -3.926  1.000 40.858 0 6   A   A "C5'" 1 
ATOM   114 C "C4'" . A   A 1 6  ? 19.218 -16.039 -4.114  1.000 45.636 0 6   A   A "C4'" 1 
ATOM   115 O "O4'" . A   A 1 6  ? 18.601 -15.654 -5.365  1.000 39.198 0 6   A   A "O4'" 1 
ATOM   116 C "C3'" . A   A 1 6  ? 18.476 -15.196 -3.082  1.000 46.336 0 6   A   A "C3'" 1 
ATOM   117 O "O3'" . A   A 1 6  ? 19.273 -15.018 -1.931  1.000 51.422 0 6   A   A "O3'" 1 
ATOM   118 C "C2'" . A   A 1 6  ? 18.349 -13.876 -3.835  1.000 42.675 0 6   A   A "C2'" 1 
ATOM   119 O "O2'" . A   A 1 6  ? 19.561 -13.158 -3.785  1.000 39.757 0 6   A   A "O2'" 1 
ATOM   120 C "C1'" . A   A 1 6  ? 17.969 -14.397 -5.219  1.000 37.697 0 6   A   A "C1'" 1 
ATOM   121 N N9    . A   A 1 6  ? 16.529 -14.576 -5.379  1.000 32.040 0 6   A   A N9    1 
ATOM   122 C C8    . A   A 1 6  ? 15.808 -15.743 -5.324  1.000 31.974 0 6   A   A C8    1 
ATOM   123 N N7    . A   A 1 6  ? 14.517 -15.579 -5.511  1.000 32.179 0 6   A   A N7    1 
ATOM   124 C C5    . A   A 1 6  ? 14.395 -14.205 -5.714  1.000 30.845 0 6   A   A C5    1 
ATOM   125 C C6    . A   A 1 6  ? 13.282 -13.395 -5.982  1.000 31.385 0 6   A   A C6    1 
ATOM   126 N N6    . A   A 1 6  ? 12.037 -13.851 -6.065  1.000 33.394 0 6   A   A N6    1 
ATOM   127 N N1    . A   A 1 6  ? 13.506 -12.064 -6.083  1.000 30.441 0 6   A   A N1    1 
ATOM   128 C C2    . A   A 1 6  ? 14.758 -11.614 -6.028  1.000 31.790 0 6   A   A C2    1 
ATOM   129 N N3    . A   A 1 6  ? 15.875 -12.277 -5.770  1.000 35.242 0 6   A   A N3    1 
ATOM   130 C C4    . A   A 1 6  ? 15.620 -13.584 -5.634  1.000 34.001 0 6   A   A C4    1 
ATOM   131 P P     . G   A 1 7  ? 18.552 -14.699 -0.542  1.000 52.188 0 7   G   A P     1 
ATOM   132 O OP1   . G   A 1 7  ? 19.654 -14.757 0.466   1.000 66.128 0 7   G   A OP1   1 
ATOM   133 O OP2   . G   A 1 7  ? 17.316 -15.507 -0.411  1.000 39.801 0 7   G   A OP2   1 
ATOM   134 O "O5'" . G   A 1 7  ? 17.714 -13.335 -0.593  1.000 45.843 0 7   G   A "O5'" 1 
ATOM   135 C "C5'" . G   A 1 7  ? 18.399 -12.090 -0.491  1.000 39.859 0 7   G   A "C5'" 1 
ATOM   136 C "C4'" . G   A 1 7  ? 17.485 -10.983 -0.936  1.000 39.624 0 7   G   A "C4'" 1 
ATOM   137 O "O4'" . G   A 1 7  ? 16.890 -11.275 -2.222  1.000 37.612 0 7   G   A "O4'" 1 
ATOM   138 C "C3'" . G   A 1 7  ? 16.243 -10.675 -0.101  1.000 39.092 0 7   G   A "C3'" 1 
ATOM   139 O "O3'" . G   A 1 7  ? 16.631 -10.031 1.087   1.000 37.471 0 7   G   A "O3'" 1 
ATOM   140 C "C2'" . G   A 1 7  ? 15.587 -9.691  -1.060  1.000 33.663 0 7   G   A "C2'" 1 
ATOM   141 O "O2'" . G   A 1 7  ? 16.295 -8.472  -1.117  1.000 35.824 0 7   G   A "O2'" 1 
ATOM   142 C "C1'" . G   A 1 7  ? 15.723 -10.497 -2.341  1.000 32.768 0 7   G   A "C1'" 1 
ATOM   143 N N9    . G   A 1 7  ? 14.600 -11.384 -2.523  1.000 32.768 0 7   G   A N9    1 
ATOM   144 C C8    . G   A 1 7  ? 14.550 -12.744 -2.394  1.000 33.535 0 7   G   A C8    1 
ATOM   145 N N7    . G   A 1 7  ? 13.355 -13.235 -2.639  1.000 30.883 0 7   G   A N7    1 
ATOM   146 C C5    . G   A 1 7  ? 12.570 -12.125 -2.926  1.000 30.970 0 7   G   A C5    1 
ATOM   147 C C6    . G   A 1 7  ? 11.203 -12.029 -3.292  1.000 33.271 0 7   G   A C6    1 
ATOM   148 O O6    . G   A 1 7  ? 10.360 -12.921 -3.427  1.000 35.168 0 7   G   A O6    1 
ATOM   149 N N1    . G   A 1 7  ? 10.846 -10.710 -3.538  1.000 31.973 0 7   G   A N1    1 
ATOM   150 C C2    . G   A 1 7  ? 11.661 -9.623  -3.412  1.000 30.578 0 7   G   A C2    1 
ATOM   151 N N2    . G   A 1 7  ? 11.120 -8.437  -3.693  1.000 33.955 0 7   G   A N2    1 
ATOM   152 N N3    . G   A 1 7  ? 12.958 -9.704  -3.093  1.000 33.106 0 7   G   A N3    1 
ATOM   153 C C4    . G   A 1 7  ? 13.336 -10.982 -2.882  1.000 33.010 0 7   G   A C4    1 
ATOM   154 P P     . A   A 1 8  ? 15.686 -10.008 2.394   1.000 39.758 0 8   A   A P     1 
ATOM   155 O OP1   . A   A 1 8  ? 16.564 -9.449  3.464   1.000 43.101 0 8   A   A OP1   1 
ATOM   156 O OP2   . A   A 1 8  ? 15.017 -11.325 2.562   1.000 37.479 0 8   A   A OP2   1 
ATOM   157 O "O5'" . A   A 1 8  ? 14.552 -8.980  1.984   1.000 38.862 0 8   A   A "O5'" 1 
ATOM   158 C "C5'" . A   A 1 8  ? 14.890 -7.600  1.849   1.000 37.866 0 8   A   A "C5'" 1 
ATOM   159 C "C4'" . A   A 1 8  ? 13.643 -6.870  1.446   1.000 42.486 0 8   A   A "C4'" 1 
ATOM   160 O "O4'" . A   A 1 8  ? 13.146 -7.394  0.193   1.000 37.232 0 8   A   A "O4'" 1 
ATOM   161 C "C3'" . A   A 1 8  ? 12.447 -7.051  2.388   1.000 43.246 0 8   A   A "C3'" 1 
ATOM   162 O "O3'" . A   A 1 8  ? 12.546 -6.199  3.514   1.000 47.368 0 8   A   A "O3'" 1 
ATOM   163 C "C2'" . A   A 1 8  ? 11.329 -6.618  1.452   1.000 38.677 0 8   A   A "C2'" 1 
ATOM   164 O "O2'" . A   A 1 8  ? 11.322 -5.229  1.229   1.000 41.871 0 8   A   A "O2'" 1 
ATOM   165 C "C1'" . A   A 1 8  ? 11.734 -7.350  0.185   1.000 37.105 0 8   A   A "C1'" 1 
ATOM   166 N N9    . A   A 1 8  ? 11.220 -8.705  0.060   1.000 35.492 0 8   A   A N9    1 
ATOM   167 C C8    . A   A 1 8  ? 11.879 -9.881  0.298   1.000 31.251 0 8   A   A C8    1 
ATOM   168 N N7    . A   A 1 8  ? 11.161 -10.949 0.055   1.000 30.953 0 8   A   A N7    1 
ATOM   169 C C5    . A   A 1 8  ? 9.955  -10.438 -0.384  1.000 33.375 0 8   A   A C5    1 
ATOM   170 C C6    . A   A 1 8  ? 8.773  -11.058 -0.813  1.000 33.868 0 8   A   A C6    1 
ATOM   171 N N6    . A   A 1 8  ? 8.629  -12.375 -0.886  1.000 34.517 0 8   A   A N6    1 
ATOM   172 N N1    . A   A 1 8  ? 7.745  -10.266 -1.174  1.000 37.053 0 8   A   A N1    1 
ATOM   173 C C2    . A   A 1 8  ? 7.913  -8.942  -1.118  1.000 35.621 0 8   A   A C2    1 
ATOM   174 N N3    . A   A 1 8  ? 8.974  -8.246  -0.744  1.000 37.320 0 8   A   A N3    1 
ATOM   175 C C4    . A   A 1 8  ? 9.969  -9.061  -0.370  1.000 32.003 0 8   A   A C4    1 
ATOM   176 P P     . U   A 1 9  ? 12.013 -6.669  4.959   1.000 48.001 0 9   U   A P     1 
ATOM   177 O OP1   . U   A 1 9  ? 12.586 -5.656  5.884   1.000 54.398 0 9   U   A OP1   1 
ATOM   178 O OP2   . U   A 1 9  ? 12.429 -8.085  5.137   1.000 43.357 0 9   U   A OP2   1 
ATOM   179 O "O5'" . U   A 1 9  ? 10.433 -6.511  4.758   1.000 43.961 0 9   U   A "O5'" 1 
ATOM   180 C "C5'" . U   A 1 9  ? 9.890  -5.180  4.557   1.000 43.475 0 9   U   A "C5'" 1 
ATOM   181 C "C4'" . U   A 1 9  ? 8.455  -5.290  4.110   1.000 41.862 0 9   U   A "C4'" 1 
ATOM   182 O "O4'" . U   A 1 9  ? 8.396  -5.933  2.815   1.000 44.117 0 9   U   A "O4'" 1 
ATOM   183 C "C3'" . U   A 1 9  ? 7.530  -6.151  4.984   1.000 38.721 0 9   U   A "C3'" 1 
ATOM   184 O "O3'" . U   A 1 9  ? 7.086  -5.441  6.133   1.000 47.932 0 9   U   A "O3'" 1 
ATOM   185 C "C2'" . U   A 1 9  ? 6.413  -6.411  3.985   1.000 40.361 0 9   U   A "C2'" 1 
ATOM   186 O "O2'" . U   A 1 9  ? 5.608  -5.277  3.759   1.000 40.007 0 9   U   A "O2'" 1 
ATOM   187 C "C1'" . U   A 1 9  ? 7.228  -6.717  2.724   1.000 37.959 0 9   U   A "C1'" 1 
ATOM   188 N N1    . U   A 1 9  ? 7.610  -8.138  2.626   1.000 36.077 0 9   U   A N1    1 
ATOM   189 C C2    . U   A 1 9  ? 6.630  -8.984  2.161   1.000 36.644 0 9   U   A C2    1 
ATOM   190 O O2    . U   A 1 9  ? 5.526  -8.576  1.845   1.000 40.102 0 9   U   A O2    1 
ATOM   191 N N3    . U   A 1 9  ? 7.008  -10.296 2.048   1.000 34.380 0 9   U   A N3    1 
ATOM   192 C C4    . U   A 1 9  ? 8.214  -10.855 2.400   1.000 34.632 0 9   U   A C4    1 
ATOM   193 O O4    . U   A 1 9  ? 8.365  -12.078 2.273   1.000 37.329 0 9   U   A O4    1 
ATOM   194 C C5    . U   A 1 9  ? 9.181  -9.917  2.897   1.000 37.165 0 9   U   A C5    1 
ATOM   195 C C6    . U   A 1 9  ? 8.846  -8.621  3.002   1.000 35.584 0 9   U   A C6    1 
ATOM   196 P P     . C   A 1 10 ? 6.912  -6.162  7.561   1.000 48.633 0 10  C   A P     1 
ATOM   197 O OP1   . C   A 1 10 ? 6.848  -5.098  8.601   1.000 54.209 0 10  C   A OP1   1 
ATOM   198 O OP2   . C   A 1 10 ? 7.729  -7.376  7.832   1.000 44.312 0 10  C   A OP2   1 
ATOM   199 O "O5'" . C   A 1 10 ? 5.501  -6.875  7.336   1.000 43.206 0 10  C   A "O5'" 1 
ATOM   200 C "C5'" . C   A 1 10 ? 4.344  -6.085  7.087   1.000 43.636 0 10  C   A "C5'" 1 
ATOM   201 C "C4'" . C   A 1 10 ? 3.313  -7.004  6.494   1.000 43.134 0 10  C   A "C4'" 1 
ATOM   202 O "O4'" . C   A 1 10 ? 3.866  -7.630  5.314   1.000 40.965 0 10  C   A "O4'" 1 
ATOM   203 C "C3'" . C   A 1 10 ? 2.921  -8.226  7.333   1.000 42.781 0 10  C   A "C3'" 1 
ATOM   204 O "O3'" . C   A 1 10 ? 2.042  -7.934  8.410   1.000 44.077 0 10  C   A "O3'" 1 
ATOM   205 C "C2'" . C   A 1 10 ? 2.223  -9.036  6.254   1.000 40.527 0 10  C   A "C2'" 1 
ATOM   206 O "O2'" . C   A 1 10 ? 0.965  -8.480  5.929   1.000 40.921 0 10  C   A "O2'" 1 
ATOM   207 C "C1'" . C   A 1 10 ? 3.222  -8.859  5.102   1.000 41.133 0 10  C   A "C1'" 1 
ATOM   208 N N1    . C   A 1 10 ? 4.247  -9.927  5.068   1.000 36.938 0 10  C   A N1    1 
ATOM   209 C C2    . C   A 1 10 ? 3.846  -11.159 4.548   1.000 28.611 0 10  C   A C2    1 
ATOM   210 O O2    . C   A 1 10 ? 2.698  -11.277 4.113   1.000 30.599 0 10  C   A O2    1 
ATOM   211 N N3    . C   A 1 10 ? 4.733  -12.173 4.490   1.000 33.029 0 10  C   A N3    1 
ATOM   212 C C4    . C   A 1 10 ? 5.980  -11.997 4.945   1.000 31.033 0 10  C   A C4    1 
ATOM   213 N N4    . C   A 1 10 ? 6.800  -13.027 4.864   1.000 33.943 0 10  C   A N4    1 
ATOM   214 C C5    . C   A 1 10 ? 6.399  -10.763 5.544   1.000 32.623 0 10  C   A C5    1 
ATOM   215 C C6    . C   A 1 10 ? 5.505  -9.756  5.560   1.000 32.836 0 10  C   A C6    1 
ATOM   216 P P     . U   A 1 11 ? 1.944  -8.931  9.665   1.000 42.203 0 11  U   A P     1 
ATOM   217 O OP1   . U   A 1 11 ? 1.089  -8.244  10.678  1.000 48.858 0 11  U   A OP1   1 
ATOM   218 O OP2   . U   A 1 11 ? 3.300  -9.403  10.066  1.000 41.232 0 11  U   A OP2   1 
ATOM   219 O "O5'" . U   A 1 11 ? 1.070  -10.100 9.048   1.000 40.507 0 11  U   A "O5'" 1 
ATOM   220 C "C5'" . U   A 1 11 ? -0.240 -9.832  8.533   1.000 35.884 0 11  U   A "C5'" 1 
ATOM   221 C "C4'" . U   A 1 11 ? -0.802 -11.165 8.106   1.000 39.821 0 11  U   A "C4'" 1 
ATOM   222 O "O4'" . U   A 1 11 ? -0.043 -11.684 6.976   1.000 39.378 0 11  U   A "O4'" 1 
ATOM   223 C "C3'" . U   A 1 11 ? -0.691 -12.293 9.143   1.000 37.811 0 11  U   A "C3'" 1 
ATOM   224 O "O3'" . U   A 1 11 ? -1.729 -12.365 10.116  1.000 37.297 0 11  U   A "O3'" 1 
ATOM   225 C "C2'" . U   A 1 11 ? -0.816 -13.523 8.248   1.000 30.476 0 11  U   A "C2'" 1 
ATOM   226 O "O2'" . U   A 1 11 ? -2.105 -13.728 7.736   1.000 34.466 0 11  U   A "O2'" 1 
ATOM   227 C "C1'" . U   A 1 11 ? 0.019  -13.093 7.045   1.000 36.554 0 11  U   A "C1'" 1 
ATOM   228 N N1    . U   A 1 11 ? 1.425  -13.507 7.104   1.000 31.583 0 11  U   A N1    1 
ATOM   229 C C2    . U   A 1 11 ? 1.662  -14.804 6.697   1.000 27.483 0 11  U   A C2    1 
ATOM   230 O O2    . U   A 1 11 ? 0.738  -15.574 6.424   1.000 33.501 0 11  U   A O2    1 
ATOM   231 N N3    . U   A 1 11 ? 2.980  -15.157 6.683   1.000 31.196 0 11  U   A N3    1 
ATOM   232 C C4    . U   A 1 11 ? 4.059  -14.373 7.022   1.000 33.291 0 11  U   A C4    1 
ATOM   233 O O4    . U   A 1 11 ? 5.192  -14.837 6.961   1.000 37.635 0 11  U   A O4    1 
ATOM   234 C C5    . U   A 1 11 ? 3.734  -13.050 7.476   1.000 33.758 0 11  U   A C5    1 
ATOM   235 C C6    . U   A 1 11 ? 2.446  -12.670 7.484   1.000 29.951 0 11  U   A C6    1 
ATOM   236 P P     . U   A 1 12 ? -1.357 -12.907 11.567  1.000 36.998 0 12  U   A P     1 
ATOM   237 O OP1   . U   A 1 12 ? -2.483 -12.472 12.439  1.000 42.076 0 12  U   A OP1   1 
ATOM   238 O OP2   . U   A 1 12 ? 0.009  -12.638 12.083  1.000 32.910 0 12  U   A OP2   1 
ATOM   239 O "O5'" . U   A 1 12 ? -1.397 -14.498 11.420  1.000 32.410 0 12  U   A "O5'" 1 
ATOM   240 C "C5'" . U   A 1 12 ? -2.619 -15.125 11.034  1.000 29.038 0 12  U   A "C5'" 1 
ATOM   241 C "C4'" . U   A 1 12 ? -2.372 -16.594 10.839  1.000 34.237 0 12  U   A "C4'" 1 
ATOM   242 O "O4'" . U   A 1 12 ? -1.576 -16.821 9.642   1.000 32.138 0 12  U   A "O4'" 1 
ATOM   243 C "C3'" . U   A 1 12 ? -1.566 -17.293 11.936  1.000 33.608 0 12  U   A "C3'" 1 
ATOM   244 O "O3'" . U   A 1 12 ? -2.392 -17.666 13.024  1.000 31.840 0 12  U   A "O3'" 1 
ATOM   245 C "C2'" . U   A 1 12 ? -1.079 -18.537 11.201  1.000 31.256 0 12  U   A "C2'" 1 
ATOM   246 O "O2'" . U   A 1 12 ? -2.138 -19.447 11.001  1.000 33.878 0 12  U   A "O2'" 1 
ATOM   247 C "C1'" . U   A 1 12 ? -0.685 -17.902 9.866   1.000 33.117 0 12  U   A "C1'" 1 
ATOM   248 N N1    . U   A 1 12 ? 0.720  -17.429 9.825   1.000 32.461 0 12  U   A N1    1 
ATOM   249 C C2    . U   A 1 12 ? 1.673  -18.371 9.486   1.000 31.512 0 12  U   A C2    1 
ATOM   250 O O2    . U   A 1 12 ? 1.393  -19.543 9.314   1.000 34.344 0 12  U   A O2    1 
ATOM   251 N N3    . U   A 1 12 ? 2.962  -17.911 9.459   1.000 29.497 0 12  U   A N3    1 
ATOM   252 C C4    . U   A 1 12 ? 3.397  -16.615 9.662   1.000 30.464 0 12  U   A C4    1 
ATOM   253 O O4    . U   A 1 12 ? 4.598  -16.346 9.587   1.000 32.488 0 12  U   A O4    1 
ATOM   254 C C5    . U   A 1 12 ? 2.359  -15.695 10.023  1.000 30.299 0 12  U   A C5    1 
ATOM   255 C C6    . U   A 1 12 ? 1.087  -16.124 10.081  1.000 33.369 0 12  U   A C6    1 
ATOM   256 P P     . C   A 1 13 ? -1.733 -17.702 14.477  1.000 34.113 0 13  C   A P     1 
ATOM   257 O OP1   . C   A 1 13 ? -2.876 -17.894 15.424  1.000 38.938 0 13  C   A OP1   1 
ATOM   258 O OP2   . C   A 1 13 ? -0.811 -16.578 14.765  1.000 34.149 0 13  C   A OP2   1 
ATOM   259 O "O5'" . C   A 1 13 ? -0.789 -18.981 14.548  1.000 30.186 0 13  C   A "O5'" 1 
ATOM   260 C "C5'" . C   A 1 13 ? -1.413 -20.241 14.355  1.000 30.327 0 13  C   A "C5'" 1 
ATOM   261 C "C4'" . C   A 1 13 ? -0.340 -21.274 14.171  1.000 32.641 0 13  C   A "C4'" 1 
ATOM   262 O "O4'" . C   A 1 13 ? 0.354  -21.015 12.926  1.000 31.435 0 13  C   A "O4'" 1 
ATOM   263 C "C3'" . C   A 1 13 ? 0.776  -21.280 15.220  1.000 29.301 0 13  C   A "C3'" 1 
ATOM   264 O "O3'" . C   A 1 13 ? 0.394  -21.903 16.440  1.000 28.655 0 13  C   A "O3'" 1 
ATOM   265 C "C2'" . C   A 1 13 ? 1.804  -22.104 14.463  1.000 28.381 0 13  C   A "C2'" 1 
ATOM   266 O "O2'" . C   A 1 13 ? 1.409  -23.424 14.222  1.000 27.133 0 13  C   A "O2'" 1 
ATOM   267 C "C1'" . C   A 1 13 ? 1.679  -21.499 13.072  1.000 28.944 0 13  C   A "C1'" 1 
ATOM   268 N N1    . C   A 1 13 ? 2.612  -20.362 12.910  1.000 29.536 0 13  C   A N1    1 
ATOM   269 C C2    . C   A 1 13 ? 3.923  -20.708 12.587  1.000 28.057 0 13  C   A C2    1 
ATOM   270 O O2    . C   A 1 13 ? 4.176  -21.902 12.469  1.000 32.223 0 13  C   A O2    1 
ATOM   271 N N3    . C   A 1 13 ? 4.827  -19.705 12.435  1.000 32.438 0 13  C   A N3    1 
ATOM   272 C C4    . C   A 1 13 ? 4.434  -18.418 12.505  1.000 31.120 0 13  C   A C4    1 
ATOM   273 N N4    . C   A 1 13 ? 5.323  -17.447 12.353  1.000 33.117 0 13  C   A N4    1 
ATOM   274 C C5    . C   A 1 13 ? 3.098  -18.069 12.833  1.000 34.647 0 13  C   A C5    1 
ATOM   275 C C6    . C   A 1 13 ? 2.233  -19.066 13.055  1.000 30.282 0 13  C   A C6    1 
ATOM   276 P P     . U   A 1 14 ? 1.121  -21.553 17.824  1.000 29.975 0 14  U   A P     1 
ATOM   277 O OP1   . U   A 1 14 ? 0.427  -22.363 18.873  1.000 29.744 0 14  U   A OP1   1 
ATOM   278 O OP2   . U   A 1 14 ? 1.259  -20.078 17.955  1.000 30.570 0 14  U   A OP2   1 
ATOM   279 O "O5'" . U   A 1 14 ? 2.598  -22.117 17.643  1.000 27.035 0 14  U   A "O5'" 1 
ATOM   280 C "C5'" . U   A 1 14 ? 2.706  -23.566 17.631  1.000 27.410 0 14  U   A "C5'" 1 
ATOM   281 C "C4'" . U   A 1 14 ? 4.141  -23.965 17.420  1.000 29.728 0 14  U   A "C4'" 1 
ATOM   282 O "O4'" . U   A 1 14 ? 4.570  -23.472 16.144  1.000 28.444 0 14  U   A "O4'" 1 
ATOM   283 C "C3'" . U   A 1 14 ? 5.159  -23.349 18.375  1.000 25.761 0 14  U   A "C3'" 1 
ATOM   284 O "O3'" . U   A 1 14 ? 5.122  -24.082 19.541  1.000 25.745 0 14  U   A "O3'" 1 
ATOM   285 C "C2'" . U   A 1 14 ? 6.434  -23.546 17.586  1.000 26.225 0 14  U   A "C2'" 1 
ATOM   286 O "O2'" . U   A 1 14 ? 6.732  -24.916 17.431  1.000 26.982 0 14  U   A "O2'" 1 
ATOM   287 C "C1'" . U   A 1 14 ? 5.934  -23.100 16.225  1.000 27.694 0 14  U   A "C1'" 1 
ATOM   288 N N1    . U   A 1 14 ? 6.066  -21.661 16.011  1.000 27.637 0 14  U   A N1    1 
ATOM   289 C C2    . U   A 1 14 ? 7.300  -21.227 15.585  1.000 28.114 0 14  U   A C2    1 
ATOM   290 O O2    . U   A 1 14 ? 8.290  -21.946 15.573  1.000 30.319 0 14  U   A O2    1 
ATOM   291 N N3    . U   A 1 14 ? 7.384  -19.904 15.346  1.000 26.959 0 14  U   A N3    1 
ATOM   292 C C4    . U   A 1 14 ? 6.389  -18.967 15.408  1.000 30.101 0 14  U   A C4    1 
ATOM   293 O O4    . U   A 1 14 ? 6.661  -17.808 15.133  1.000 27.390 0 14  U   A O4    1 
ATOM   294 C C5    . U   A 1 14 ? 5.108  -19.489 15.779  1.000 31.688 0 14  U   A C5    1 
ATOM   295 C C6    . U   A 1 14 ? 4.986  -20.803 16.029  1.000 29.669 0 14  U   A C6    1 
HETATM 296 P P     . RSP A 1 15 ? 5.552  -23.463 20.946  1.000 26.779 0 15  RSP A P     1 
HETATM 297 N N1    . RSP A 1 15 ? 9.804  -21.383 19.053  1.000 30.025 0 15  RSP A N1    1 
HETATM 298 C C2    . RSP A 1 15 ? 10.619 -20.324 18.508  1.000 31.545 0 15  RSP A C2    1 
HETATM 299 S S2    . RSP A 1 15 ? 12.200 -20.508 18.342  1.000 32.202 0 15  RSP A S2    1 
HETATM 300 N N3    . RSP A 1 15 ? 10.058 -19.062 18.204  1.000 28.436 0 15  RSP A N3    1 
HETATM 301 C C4    . RSP A 1 15 ? 8.693  -18.847 18.374  1.000 26.478 0 15  RSP A C4    1 
HETATM 302 N N4    . RSP A 1 15 ? 8.153  -17.640 17.992  1.000 28.915 0 15  RSP A N4    1 
HETATM 303 C C5    . RSP A 1 15 ? 7.891  -19.925 18.889  1.000 25.053 0 15  RSP A C5    1 
HETATM 304 C C6    . RSP A 1 15 ? 8.411  -21.200 19.254  1.000 26.311 0 15  RSP A C6    1 
HETATM 305 C "C1'" . RSP A 1 15 ? 10.446 -22.651 19.282  1.000 29.897 0 15  RSP A "C1'" 1 
HETATM 306 C "C2'" . RSP A 1 15 ? 11.137 -22.819 20.590  1.000 30.301 0 15  RSP A "C2'" 1 
HETATM 307 O "O2'" . RSP A 1 15 ? 12.157 -23.758 20.376  1.000 31.039 0 15  RSP A "O2'" 1 
HETATM 308 C "C3'" . RSP A 1 15 ? 9.996  -23.336 21.368  1.000 29.518 0 15  RSP A "C3'" 1 
HETATM 309 O "O3'" . RSP A 1 15 ? 10.528 -23.955 22.509  1.000 32.138 0 15  RSP A "O3'" 1 
HETATM 310 C "C4'" . RSP A 1 15 ? 9.327  -24.269 20.588  1.000 31.086 0 15  RSP A "C4'" 1 
HETATM 311 O "O4'" . RSP A 1 15 ? 9.317  -23.552 19.192  1.000 29.315 0 15  RSP A "O4'" 1 
HETATM 312 C "C5'" . RSP A 1 15 ? 7.905  -24.634 20.929  1.000 32.039 0 15  RSP A "C5'" 1 
HETATM 313 O "O5'" . RSP A 1 15 ? 7.158  -23.454 20.831  1.000 28.562 0 15  RSP A "O5'" 1 
HETATM 314 O OP1   . RSP A 1 15 ? 5.093  -24.415 21.975  1.000 30.244 0 15  RSP A OP1   1 
HETATM 315 O OP2   . RSP A 1 15 ? 5.141  -22.025 20.973  1.000 28.112 0 15  RSP A OP2   1 
ATOM   316 P P     . U   A 1 16 ? 10.647 -23.168 23.895  1.000 36.696 0 16  U   A P     1 
ATOM   317 O OP1   . U   A 1 16 ? 11.066 -24.228 24.854  1.000 35.551 0 16  U   A OP1   1 
ATOM   318 O OP2   . U   A 1 16 ? 9.476  -22.308 24.236  1.000 40.148 0 16  U   A OP2   1 
ATOM   319 O "O5'" . U   A 1 16 ? 11.779 -22.089 23.565  1.000 32.351 0 16  U   A "O5'" 1 
ATOM   320 C "C5'" . U   A 1 16 ? 13.119 -22.637 23.462  1.000 33.548 0 16  U   A "C5'" 1 
ATOM   321 C "C4'" . U   A 1 16 ? 14.026 -21.530 23.007  1.000 35.934 0 16  U   A "C4'" 1 
ATOM   322 O "O4'" . U   A 1 16 ? 13.530 -21.050 21.735  1.000 31.650 0 16  U   A "O4'" 1 
ATOM   323 C "C3'" . U   A 1 16 ? 14.070 -20.282 23.899  1.000 34.680 0 16  U   A "C3'" 1 
ATOM   324 O "O3'" . U   A 1 16 ? 15.036 -20.360 24.944  1.000 37.393 0 16  U   A "O3'" 1 
ATOM   325 C "C2'" . U   A 1 16 ? 14.507 -19.236 22.890  1.000 34.012 0 16  U   A "C2'" 1 
ATOM   326 O "O2'" . U   A 1 16 ? 15.888 -19.312 22.650  1.000 36.376 0 16  U   A "O2'" 1 
ATOM   327 C "C1'" . U   A 1 16 ? 13.764 -19.660 21.626  1.000 33.147 0 16  U   A "C1'" 1 
ATOM   328 N N1    . U   A 1 16 ? 12.475 -18.934 21.459  1.000 30.837 0 16  U   A N1    1 
ATOM   329 C C2    . U   A 1 16 ? 12.557 -17.694 20.835  1.000 28.945 0 16  U   A C2    1 
ATOM   330 O O2    . U   A 1 16 ? 13.612 -17.204 20.466  1.000 32.194 0 16  U   A O2    1 
ATOM   331 N N3    . U   A 1 16 ? 11.376 -17.021 20.675  1.000 28.672 0 16  U   A N3    1 
ATOM   332 C C4    . U   A 1 16 ? 10.137 -17.464 21.084  1.000 28.447 0 16  U   A C4    1 
ATOM   333 O O4    . U   A 1 16 ? 9.165  -16.732 20.883  1.000 29.332 0 16  U   A O4    1 
ATOM   334 C C5    . U   A 1 16 ? 10.125 -18.741 21.751  1.000 28.556 0 16  U   A C5    1 
ATOM   335 C C6    . U   A 1 16 ? 11.279 -19.424 21.920  1.000 29.164 0 16  U   A C6    1 
HETATM 336 O O     . HOH B 2 .  ? 0.610  -23.202 21.034  1.000 35.667 0 101 HOH A O     1 
HETATM 337 O O     . HOH B 2 .  ? 5.852  -14.464 10.253  1.000 42.803 0 102 HOH A O     1 
HETATM 338 O O     . HOH B 2 .  ? 7.328  -14.256 7.816   1.000 52.884 0 103 HOH A O     1 
HETATM 339 O O     . HOH B 2 .  ? 12.327 -10.145 3.948   1.000 44.973 0 104 HOH A O     1 
HETATM 340 O O     . HOH B 2 .  ? 5.136  -15.099 -11.682 1.000 56.393 0 105 HOH A O     1 
HETATM 341 O O     . HOH B 2 .  ? -3.603 -12.119 14.543  1.000 44.748 0 106 HOH A O     1 
HETATM 342 O O     . HOH B 2 .  ? 20.495 -20.929 -2.927  1.000 48.750 0 107 HOH A O     1 
HETATM 343 O O     . HOH B 2 .  ? 11.580 -22.767 -15.118 1.000 45.305 0 108 HOH A O     1 
HETATM 344 O O     . HOH B 2 .  ? 9.595  -15.325 -3.154  1.000 45.697 0 109 HOH A O     1 
HETATM 345 O O     . HOH B 2 .  ? 2.984  -19.624 -18.878 1.000 40.705 0 110 HOH A O     1 
HETATM 346 O O     . HOH B 2 .  ? 13.369 -19.809 -5.312  1.000 47.535 0 111 HOH A O     1 
HETATM 347 O O     . HOH B 2 .  ? 5.746  -15.427 15.230  1.000 48.539 0 112 HOH A O     1 
HETATM 348 O O     . HOH B 2 .  ? 12.493 -25.916 26.136  1.000 51.135 0 113 HOH A O     1 
HETATM 349 O O     . HOH B 2 .  ? 6.713  -17.332 21.339  1.000 35.022 0 114 HOH A O     1 
HETATM 350 O O     . HOH B 2 .  ? 5.666  -14.797 -14.731 1.000 53.802 0 115 HOH A O     1 
HETATM 351 O O     . HOH B 2 .  ? 12.478 -15.665 -2.330  1.000 53.358 0 116 HOH A O     1 
HETATM 352 O O     . HOH B 2 .  ? 3.695  -26.452 21.090  1.000 48.996 0 117 HOH A O     1 
HETATM 353 O O     . HOH B 2 .  ? 14.505 -23.128 19.363  1.000 32.232 0 118 HOH A O     1 
HETATM 354 O O     . HOH B 2 .  ? 4.363  -19.902 19.617  1.000 50.916 0 119 HOH A O     1 
HETATM 355 O O     . HOH B 2 .  ? 0.574  -16.145 -9.302  1.000 54.587 0 120 HOH A O     1 
HETATM 356 O O     . HOH B 2 .  ? 8.149  -14.052 -16.205 1.000 35.660 0 121 HOH A O     1 
HETATM 357 O O     . HOH B 2 .  ? 11.233 -17.928 -8.025  1.000 49.598 0 122 HOH A O     1 
HETATM 358 O O     . HOH B 2 .  ? 1.758  -17.972 16.357  1.000 41.048 0 123 HOH A O     1 
HETATM 359 O O     . HOH B 2 .  ? -0.645 -17.624 5.349   1.000 41.837 0 124 HOH A O     1 
HETATM 360 O O     . HOH B 2 .  ? 8.046  -5.776  -1.342  1.000 57.358 0 125 HOH A O     1 
HETATM 361 O O     . HOH B 2 .  ? 6.063  -11.559 -18.768 1.000 46.988 0 126 HOH A O     1 
HETATM 362 O O     . HOH B 2 .  ? -1.026 -18.762 18.767  1.000 36.367 0 127 HOH A O     1 
HETATM 363 O O     . HOH B 2 .  ? 0.003  -25.052 19.324  0.330 31.018 0 128 HOH A O     1 
HETATM 364 O O     . HOH B 2 .  ? 1.034  -14.989 13.461  1.000 44.265 0 129 HOH A O     1 
HETATM 365 O O     . HOH B 2 .  ? 12.928 -25.915 23.655  1.000 52.560 0 130 HOH A O     1 
HETATM 366 O O     . HOH B 2 .  ? 7.486  -20.818 22.974  1.000 53.221 0 131 HOH A O     1 
HETATM 367 O O     . HOH B 2 .  ? 10.729 -13.987 0.028   1.000 50.633 0 132 HOH A O     1 
HETATM 368 O O     . HOH B 2 .  ? 18.469 -7.727  0.484   1.000 44.270 0 133 HOH A O     1 
HETATM 369 O O     . HOH B 2 .  ? 17.150 -24.959 -9.045  1.000 47.137 0 134 HOH A O     1 
HETATM 370 O O     . HOH B 2 .  ? 4.383  -14.817 12.826  1.000 51.178 0 135 HOH A O     1 
HETATM 371 O O     . HOH B 2 .  ? 5.679  -17.570 -12.000 1.000 46.424 0 136 HOH A O     1 
HETATM 372 O O     . HOH B 2 .  ? 12.309 -17.408 -5.353  1.000 45.368 0 137 HOH A O     1 
HETATM 373 O O     . HOH B 2 .  ? -0.000 -25.060 16.128  0.330 34.246 0 138 HOH A O     1 
HETATM 374 O O     . HOH B 2 .  ? -4.723 -13.838 13.635  1.000 54.836 0 139 HOH A O     1 
HETATM 375 O O     . HOH B 2 .  ? 5.952  -2.856  5.290   1.000 52.034 0 140 HOH A O     1 
HETATM 376 O O     . HOH B 2 .  ? 5.378  -17.358 18.859  1.000 33.545 0 141 HOH A O     1 
HETATM 377 O O     . HOH B 2 .  ? 1.260  -10.088 -16.642 1.000 60.281 0 142 HOH A O     1 
HETATM 378 O O     . HOH B 2 .  ? 10.991 -23.333 15.835  1.000 47.464 0 143 HOH A O     1 
HETATM 379 O O     . HOH B 2 .  ? 7.481  -15.604 -12.446 1.000 49.937 0 144 HOH A O     1 
HETATM 380 O O     . HOH B 2 .  ? 9.585  -12.230 5.954   1.000 46.676 0 145 HOH A O     1 
HETATM 381 O O     . HOH B 2 .  ? 21.702 -12.530 1.171   0.330 45.396 0 146 HOH A O     1 
HETATM 382 O O     . HOH B 2 .  ? 17.676 -19.244 0.146   1.000 52.141 0 147 HOH A O     1 
HETATM 383 O O     . HOH B 2 .  ? 8.943  -17.775 -9.973  1.000 59.415 0 148 HOH A O     1 
HETATM 384 O O     . HOH B 2 .  ? -2.993 -9.378  11.376  1.000 50.891 0 149 HOH A O     1 
HETATM 385 O O     . HOH B 2 .  ? 9.152  -15.003 -10.662 1.000 49.842 0 150 HOH A O     1 
HETATM 386 O O     . HOH B 2 .  ? 8.708  -13.246 -13.131 1.000 49.854 0 151 HOH A O     1 
HETATM 387 O O     . HOH B 2 .  ? 17.077 -8.398  6.919   1.000 56.203 0 152 HOH A O     1 
HETATM 388 O O     . HOH B 2 .  ? 8.850  -11.694 -17.793 1.000 59.855 0 153 HOH A O     1 
HETATM 389 O O     . HOH B 2 .  ? 9.429  -16.331 -0.000  0.500 66.243 0 154 HOH A O     1 
HETATM 390 O O     . HOH B 2 .  ? 6.868  -15.791 -10.550 1.000 34.107 0 155 HOH A O     1 
HETATM 391 O O     . HOH B 2 .  ? 10.741 -18.007 -3.539  1.000 55.163 0 156 HOH A O     1 
# 
