diff --git "a/structures/1y95.cif" "b/structures/1y95.cif" new file mode 100644--- /dev/null +++ "b/structures/1y95.cif" @@ -0,0 +1,2594 @@ +data_1Y95 +# +_entry.id 1Y95 +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.387 +_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 1Y95 pdb_00001y95 10.2210/pdb1y95/pdb +NDB AR0054 ? ? +RCSB RCSB031272 ? ? +WWPDB D_1000031272 ? ? +# +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 +1 'Structure model' 1 0 2004-12-21 +2 'Structure model' 1 1 2008-04-30 +3 'Structure model' 1 2 2011-07-13 +4 'Structure model' 1 3 2024-02-14 +# +_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 ? +# +loop_ +_pdbx_audit_revision_group.ordinal +_pdbx_audit_revision_group.revision_ordinal +_pdbx_audit_revision_group.data_content_type +_pdbx_audit_revision_group.group +1 2 'Structure model' 'Version format compliance' +2 3 'Structure model' 'Version format compliance' +3 4 'Structure model' 'Data collection' +4 4 'Structure model' 'Database references' +5 4 'Structure model' 'Derived calculations' +# +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 4 'Structure model' chem_comp_atom +2 4 'Structure model' chem_comp_bond +3 4 'Structure model' database_2 +4 4 'Structure model' pdbx_struct_conn_angle +5 4 'Structure model' struct_conn +6 4 'Structure model' struct_site +# +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 4 'Structure model' '_database_2.pdbx_DOI' +2 4 'Structure model' '_database_2.pdbx_database_accession' +3 4 'Structure model' '_pdbx_struct_conn_angle.ptnr1_auth_comp_id' +4 4 'Structure model' '_pdbx_struct_conn_angle.ptnr1_auth_seq_id' +5 4 'Structure model' '_pdbx_struct_conn_angle.ptnr1_label_atom_id' +6 4 'Structure model' '_pdbx_struct_conn_angle.ptnr1_label_comp_id' +7 4 'Structure model' '_pdbx_struct_conn_angle.ptnr1_label_seq_id' +8 4 'Structure model' '_pdbx_struct_conn_angle.ptnr3_auth_comp_id' +9 4 'Structure model' '_pdbx_struct_conn_angle.ptnr3_auth_seq_id' +10 4 'Structure model' '_pdbx_struct_conn_angle.ptnr3_label_atom_id' +11 4 'Structure model' '_pdbx_struct_conn_angle.ptnr3_label_comp_id' +12 4 'Structure model' '_pdbx_struct_conn_angle.ptnr3_label_seq_id' +13 4 'Structure model' '_pdbx_struct_conn_angle.value' +14 4 'Structure model' '_struct_conn.pdbx_dist_value' +15 4 'Structure model' '_struct_conn.ptnr1_auth_asym_id' +16 4 'Structure model' '_struct_conn.ptnr1_auth_comp_id' +17 4 'Structure model' '_struct_conn.ptnr1_auth_seq_id' +18 4 'Structure model' '_struct_conn.ptnr1_label_asym_id' +19 4 'Structure model' '_struct_conn.ptnr1_label_atom_id' +20 4 'Structure model' '_struct_conn.ptnr1_label_comp_id' +21 4 'Structure model' '_struct_conn.ptnr1_label_seq_id' +22 4 'Structure model' '_struct_conn.ptnr2_auth_asym_id' +23 4 'Structure model' '_struct_conn.ptnr2_auth_comp_id' +24 4 'Structure model' '_struct_conn.ptnr2_auth_seq_id' +25 4 'Structure model' '_struct_conn.ptnr2_label_asym_id' +26 4 'Structure model' '_struct_conn.ptnr2_label_atom_id' +27 4 'Structure model' '_struct_conn.ptnr2_label_comp_id' +28 4 'Structure model' '_struct_conn.ptnr2_label_seq_id' +29 4 'Structure model' '_struct_site.pdbx_auth_asym_id' +30 4 'Structure model' '_struct_site.pdbx_auth_comp_id' +31 4 'Structure model' '_struct_site.pdbx_auth_seq_id' +# +_pdbx_database_status.status_code REL +_pdbx_database_status.entry_id 1Y95 +_pdbx_database_status.recvd_initial_deposition_date 2004-12-14 +_pdbx_database_status.deposit_site RCSB +_pdbx_database_status.process_site RCSB +_pdbx_database_status.status_code_sf REL +_pdbx_database_status.SG_entry . +_pdbx_database_status.pdb_format_compatible Y +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.status_code_cs ? +_pdbx_database_status.status_code_nmr_data ? +_pdbx_database_status.methods_development_category ? +# +loop_ +_pdbx_database_related.db_name +_pdbx_database_related.db_id +_pdbx_database_related.details +_pdbx_database_related.content_type +PDB 1Y6S 'HIV-1 Dis(Mal) Duplex Ba-Soaked' unspecified +PDB 1Y6T 'HIV-1 Dis(Mal) Duplex CoHexa-Soaked' unspecified +PDB 1NLC 'HIV-1 Dis(Mal) Duplex Zn-Soaked' unspecified +PDB 1Y73 'HIV-1 Dis(Mal) Duplex PtCl4-Soaked' unspecified +PDB 1XP7 'HIV-1 Dis(Mal) Duplex RuHexa-Soaked' unspecified +PDB 1O3Z 'HIV-1 Dis(Mal) Duplex RU HEXAMINE--Soaked' unspecified +PDB 1Y90 'HIV-1 Dis(Mal) Duplex Mn-Soaked' unspecified +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +'Ennifar, E.' 1 +'Walter, P.' 2 +'Dumas, P.' 3 +# +_citation.id primary +_citation.title 'A crystallographic study of the binding of 13 metal ions to two related RNA duplexes' +_citation.journal_abbrev 'Nucleic Acids Res.' +_citation.journal_volume 31 +_citation.page_first 2671 +_citation.page_last 2682 +_citation.year 2003 +_citation.journal_id_ASTM NARHAD +_citation.country UK +_citation.journal_id_ISSN 0305-1048 +_citation.journal_id_CSD 0389 +_citation.book_publisher ? +_citation.pdbx_database_id_PubMed 12736317 +_citation.pdbx_database_id_DOI 10.1093/nar/gkg350 +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +_citation_author.identifier_ORCID +primary 'Ennifar, E.' 1 ? +primary 'Walter, P.' 2 ? +primary 'Dumas, P.' 3 ? +# +loop_ +_entity.id +_entity.type +_entity.src_method +_entity.pdbx_description +_entity.formula_weight +_entity.pdbx_number_of_molecules +_entity.pdbx_ec +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.details +1 polymer syn "5'-R(*CP*UP*UP*GP*CP*UP*GP*AP*GP*GP*UP*GP*CP*AP*CP*AP*CP*AP*GP*CP*AP*AP*G)-3'" 7402.472 2 ? ? ? +'HIV-1 DIS RNA' +2 non-polymer syn 'MAGNESIUM ION' 24.305 10 ? ? ? ? +3 non-polymer syn 'LEAD (II) ION' 207.200 3 ? ? ? ? +4 water nat water 18.015 44 ? ? ? ? +# +_entity_poly.entity_id 1 +_entity_poly.type polyribonucleotide +_entity_poly.nstd_linkage no +_entity_poly.nstd_monomer no +_entity_poly.pdbx_seq_one_letter_code CUUGCUGAGGUGCACACAGCAAG +_entity_poly.pdbx_seq_one_letter_code_can CUUGCUGAGGUGCACACAGCAAG +_entity_poly.pdbx_strand_id A,B +_entity_poly.pdbx_target_identifier ? +# +loop_ +_pdbx_entity_nonpoly.entity_id +_pdbx_entity_nonpoly.name +_pdbx_entity_nonpoly.comp_id +2 'MAGNESIUM ION' MG +3 'LEAD (II) ION' PB +4 water HOH +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 C n +1 2 U n +1 3 U n +1 4 G n +1 5 C n +1 6 U n +1 7 G n +1 8 A n +1 9 G n +1 10 G n +1 11 U n +1 12 G n +1 13 C n +1 14 A n +1 15 C n +1 16 A n +1 17 C n +1 18 A n +1 19 G n +1 20 C n +1 21 A n +1 22 A n +1 23 G n +# +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 +MG non-polymer . 'MAGNESIUM ION' ? 'Mg 2' 24.305 +PB non-polymer . 'LEAD (II) ION' ? 'Pb 2' 207.200 +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 C 1 1 1 C CYT A . n +A 1 2 U 2 2 2 U URI A . n +A 1 3 U 3 3 3 U URI A . n +A 1 4 G 4 4 4 G GUA A . n +A 1 5 C 5 5 5 C CYT A . n +A 1 6 U 6 6 6 U URI A . n +A 1 7 G 7 7 7 G GUA A . n +A 1 8 A 8 8 8 A ADE A . n +A 1 9 G 9 9 9 G GUA A . n +A 1 10 G 10 10 10 G GUA A . n +A 1 11 U 11 11 11 U URI A . n +A 1 12 G 12 12 12 G GUA A . n +A 1 13 C 13 13 13 C CYT A . n +A 1 14 A 14 14 14 A ADE A . n +A 1 15 C 15 15 15 C CYT A . n +A 1 16 A 16 16 16 A ADE A . n +A 1 17 C 17 17 17 C CYT A . n +A 1 18 A 18 18 18 A ADE A . n +A 1 19 G 19 19 19 G GUA A . n +A 1 20 C 20 20 20 C CYT A . n +A 1 21 A 21 21 21 A ADE A . n +A 1 22 A 22 22 22 A ADE A . n +A 1 23 G 23 23 23 G GUA A . n +B 1 1 C 1 1 1 C CYT B . n +B 1 2 U 2 2 2 U URI B . n +B 1 3 U 3 3 3 U URI B . n +B 1 4 G 4 4 4 G GUA B . n +B 1 5 C 5 5 5 C CYT B . n +B 1 6 U 6 6 6 U URI B . n +B 1 7 G 7 7 7 G GUA B . n +B 1 8 A 8 8 8 A ADE B . n +B 1 9 G 9 9 9 G GUA B . n +B 1 10 G 10 10 10 G GUA B . n +B 1 11 U 11 11 11 U URI B . n +B 1 12 G 12 12 12 G GUA B . n +B 1 13 C 13 13 13 C CYT B . n +B 1 14 A 14 14 14 A ADE B . n +B 1 15 C 15 15 15 C CYT B . n +B 1 16 A 16 16 16 A ADE B . n +B 1 17 C 17 17 17 C CYT B . n +B 1 18 A 18 18 18 A ADE B . n +B 1 19 G 19 19 19 G GUA B . n +B 1 20 C 20 20 20 C CYT B . n +B 1 21 A 21 21 21 A ADE B . n +B 1 22 A 22 22 22 A ADE B . n +B 1 23 G 23 23 23 G GUA B . n +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.pdb_ins_code +C 2 MG 1 30 30 MG MG A . +D 2 MG 1 32 32 MG MG A . +E 3 PB 1 36 36 PB PB A . +F 2 MG 1 37 37 MG MG A . +G 2 MG 1 38 38 MG MG A . +H 2 MG 1 40 40 MG MG A . +I 2 MG 1 43 43 MG MG A . +J 3 PB 1 31 31 PB PB B . +K 2 MG 1 33 33 MG MG B . +L 2 MG 1 34 34 MG MG B . +M 3 PB 1 35 35 PB PB B . +N 2 MG 1 41 41 MG MG B . +O 2 MG 1 42 42 MG MG B . +P 4 HOH 1 100 100 HOH WAT A . +P 4 HOH 2 105 105 HOH WAT A . +P 4 HOH 3 106 106 HOH WAT A . +P 4 HOH 4 108 108 HOH WAT A . +P 4 HOH 5 110 110 HOH WAT A . +P 4 HOH 6 111 111 HOH WAT A . +P 4 HOH 7 112 112 HOH WAT A . +P 4 HOH 8 113 113 HOH WAT A . +P 4 HOH 9 114 114 HOH WAT A . +P 4 HOH 10 115 115 HOH WAT A . +P 4 HOH 11 120 120 HOH WAT A . +P 4 HOH 12 121 121 HOH WAT A . +P 4 HOH 13 124 124 HOH WAT A . +P 4 HOH 14 125 125 HOH WAT A . +P 4 HOH 15 129 129 HOH WAT A . +P 4 HOH 16 132 132 HOH WAT A . +P 4 HOH 17 134 134 HOH WAT A . +P 4 HOH 18 135 135 HOH WAT A . +P 4 HOH 19 141 141 HOH WAT A . +P 4 HOH 20 142 142 HOH WAT A . +Q 4 HOH 1 101 101 HOH WAT B . +Q 4 HOH 2 102 102 HOH WAT B . +Q 4 HOH 3 103 103 HOH WAT B . +Q 4 HOH 4 104 104 HOH WAT B . +Q 4 HOH 5 107 107 HOH WAT B . +Q 4 HOH 6 109 109 HOH WAT B . +Q 4 HOH 7 116 116 HOH WAT B . +Q 4 HOH 8 117 117 HOH WAT B . +Q 4 HOH 9 118 118 HOH WAT B . +Q 4 HOH 10 119 119 HOH WAT B . +Q 4 HOH 11 122 122 HOH WAT B . +Q 4 HOH 12 123 123 HOH WAT B . +Q 4 HOH 13 126 126 HOH WAT B . +Q 4 HOH 14 127 127 HOH WAT B . +Q 4 HOH 15 128 128 HOH WAT B . +Q 4 HOH 16 130 130 HOH WAT B . +Q 4 HOH 17 131 131 HOH WAT B . +Q 4 HOH 18 133 133 HOH WAT B . +Q 4 HOH 19 136 136 HOH WAT B . +Q 4 HOH 20 137 137 HOH WAT B . +Q 4 HOH 21 138 138 HOH WAT B . +Q 4 HOH 22 139 139 HOH WAT B . +Q 4 HOH 23 140 140 HOH WAT B . +Q 4 HOH 24 143 143 HOH WAT B . +# +loop_ +_software.name +_software.classification +_software.version +_software.citation_id +_software.pdbx_ordinal +CNS refinement 1.1 ? 1 +DENZO 'data reduction' . ? 2 +SCALEPACK 'data scaling' . ? 3 +CNS phasing . ? 4 +# +_cell.entry_id 1Y95 +_cell.length_a 59.200 +_cell.length_b 59.200 +_cell.length_c 65.800 +_cell.angle_alpha 90.00 +_cell.angle_beta 90.00 +_cell.angle_gamma 120.00 +_cell.Z_PDB 12 +_cell.pdbx_unique_axis ? +# +_symmetry.entry_id 1Y95 +_symmetry.space_group_name_H-M 'P 31 2 1' +_symmetry.pdbx_full_space_group_name_H-M ? +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 152 +_symmetry.space_group_name_Hall ? +# +_exptl.entry_id 1Y95 +_exptl.method 'X-RAY DIFFRACTION' +_exptl.crystals_number 1 +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas ? +_exptl_crystal.density_Matthews 2.25 +_exptl_crystal.density_percent_sol 50 +_exptl_crystal.description ? +_exptl_crystal.F_000 ? +_exptl_crystal.preparation ? +# +_exptl_crystal_grow.crystal_id 1 +_exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' +_exptl_crystal_grow.temp 310 +_exptl_crystal_grow.temp_details ? +_exptl_crystal_grow.pH 7.0 +_exptl_crystal_grow.pdbx_details +'MPD, spermine, KCl, MgCl2, Na Cacodylate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 310K' +_exptl_crystal_grow.pdbx_pH_range . +# +loop_ +_exptl_crystal_grow_comp.crystal_id +_exptl_crystal_grow_comp.id +_exptl_crystal_grow_comp.sol_id +_exptl_crystal_grow_comp.name +_exptl_crystal_grow_comp.volume +_exptl_crystal_grow_comp.conc +_exptl_crystal_grow_comp.details +1 1 1 MPD ? ? ? +1 2 1 spermine ? ? ? +1 3 1 KCl ? ? ? +1 4 1 MgCl2 ? ? ? +1 5 1 'Na Cacodylate' ? ? ? +1 6 1 H2O ? ? ? +1 7 2 MPD ? ? ? +1 8 2 KCl ? ? ? +1 9 2 MgCl2 ? ? ? +1 10 2 'Na Cacodylate' ? ? ? +# +_diffrn.id 1 +_diffrn.ambient_temp 293 +_diffrn.ambient_temp_details ? +_diffrn.crystal_id 1 +# +_diffrn_detector.diffrn_id 1 +_diffrn_detector.detector 'IMAGE PLATE' +_diffrn_detector.type MACSCIENCE +_diffrn_detector.pdbx_collection_date 1999-04-23 +_diffrn_detector.details ? +# +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.monochromator mirror +_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength 1.54 +_diffrn_radiation_wavelength.wt 1.0 +# +_diffrn_source.diffrn_id 1 +_diffrn_source.source 'ROTATING ANODE' +_diffrn_source.type ENRAF-NONIUS +_diffrn_source.pdbx_synchrotron_site ? +_diffrn_source.pdbx_synchrotron_beamline ? +_diffrn_source.pdbx_wavelength ? +_diffrn_source.pdbx_wavelength_list 1.54 +# +_reflns.entry_id 1Y95 +_reflns.observed_criterion_sigma_I 0 +_reflns.observed_criterion_sigma_F 0 +_reflns.d_resolution_low 8 +_reflns.d_resolution_high 2.8 +_reflns.number_obs 3213 +_reflns.number_all ? +_reflns.percent_possible_obs 96.3 +_reflns.pdbx_Rmerge_I_obs ? +_reflns.pdbx_Rsym_value 0.045 +_reflns.pdbx_netI_over_sigmaI 12.6 +_reflns.B_iso_Wilson_estimate 57.0 +_reflns.pdbx_redundancy ? +_reflns.R_free_details ? +_reflns.pdbx_chi_squared ? +_reflns.pdbx_scaling_rejects ? +_reflns.pdbx_diffrn_id 1 +_reflns.pdbx_ordinal 1 +# +_reflns_shell.d_res_high 2.8 +_reflns_shell.d_res_low 2.97 +_reflns_shell.percent_possible_all 94.5 +_reflns_shell.Rmerge_I_obs ? +_reflns_shell.pdbx_Rsym_value 0.299 +_reflns_shell.meanI_over_sigI_obs 3.2 +_reflns_shell.pdbx_redundancy ? +_reflns_shell.percent_possible_obs ? +_reflns_shell.number_unique_all ? +_reflns_shell.number_measured_all ? +_reflns_shell.number_measured_obs ? +_reflns_shell.number_unique_obs ? +_reflns_shell.pdbx_chi_squared ? +_reflns_shell.pdbx_diffrn_id ? +_reflns_shell.pdbx_ordinal 1 +# +_refine.entry_id 1Y95 +_refine.ls_number_reflns_obs 3213 +_refine.ls_number_reflns_all ? +_refine.pdbx_ls_sigma_I ? +_refine.pdbx_ls_sigma_F 0.0 +_refine.pdbx_data_cutoff_high_absF 191670.41 +_refine.pdbx_data_cutoff_low_absF 0.000000 +_refine.pdbx_data_cutoff_high_rms_absF ? +_refine.ls_d_res_low 7.97 +_refine.ls_d_res_high 2.80 +_refine.ls_percent_reflns_obs 96.3 +_refine.ls_R_factor_obs 0.226 +_refine.ls_R_factor_all ? +_refine.ls_R_factor_R_work 0.226 +_refine.ls_R_factor_R_free 0.253 +_refine.ls_R_factor_R_free_error 0.014 +_refine.ls_R_factor_R_free_error_details ? +_refine.ls_percent_reflns_R_free 10.0 +_refine.ls_number_reflns_R_free 320 +_refine.ls_number_parameters ? +_refine.ls_number_restraints ? +_refine.occupancy_min ? +_refine.occupancy_max ? +_refine.correlation_coeff_Fo_to_Fc ? +_refine.correlation_coeff_Fo_to_Fc_free ? +_refine.B_iso_mean 52.2 +_refine.aniso_B[1][1] 0.53 +_refine.aniso_B[2][2] 0.53 +_refine.aniso_B[3][3] -1.06 +_refine.aniso_B[1][2] 7.58 +_refine.aniso_B[1][3] 0.00 +_refine.aniso_B[2][3] 0.00 +_refine.solvent_model_details 'FLAT MODEL' +_refine.solvent_model_param_ksol 0.225376 +_refine.solvent_model_param_bsol 19.9963 +_refine.pdbx_solvent_vdw_probe_radii ? +_refine.pdbx_solvent_ion_probe_radii ? +_refine.pdbx_solvent_shrinkage_radii ? +_refine.pdbx_ls_cross_valid_method THROUGHOUT +_refine.details ? +_refine.pdbx_starting_model ? +_refine.pdbx_method_to_determine_struct 'FOURIER SYNTHESIS' +_refine.pdbx_isotropic_thermal_model RESTRAINED +_refine.pdbx_stereochemistry_target_values ? +_refine.pdbx_stereochem_target_val_spec_case ? +_refine.pdbx_R_Free_selection_details RANDOM +_refine.pdbx_overall_ESU_R ? +_refine.pdbx_overall_ESU_R_Free ? +_refine.overall_SU_ML ? +_refine.overall_SU_B ? +_refine.ls_redundancy_reflns_obs ? +_refine.overall_SU_R_Cruickshank_DPI ? +_refine.overall_SU_R_free ? +_refine.ls_wR_factor_R_free ? +_refine.ls_wR_factor_R_work ? +_refine.overall_FOM_free_R_set ? +_refine.overall_FOM_work_R_set ? +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.pdbx_diffrn_id 1 +_refine.pdbx_TLS_residual_ADP_flag ? +_refine.pdbx_overall_phase_error ? +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? +_refine.pdbx_overall_SU_R_Blow_DPI ? +_refine.pdbx_overall_SU_R_free_Blow_DPI ? +# +_refine_analyze.entry_id 1Y95 +_refine_analyze.Luzzati_coordinate_error_obs 0.38 +_refine_analyze.Luzzati_sigma_a_obs 0.84 +_refine_analyze.Luzzati_d_res_low_obs 5.00 +_refine_analyze.Luzzati_coordinate_error_free 0.42 +_refine_analyze.Luzzati_sigma_a_free 0.68 +_refine_analyze.Luzzati_d_res_low_free ? +_refine_analyze.number_disordered_residues ? +_refine_analyze.occupancy_sum_hydrogen ? +_refine_analyze.occupancy_sum_non_hydrogen ? +_refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.pdbx_number_atoms_protein 0 +_refine_hist.pdbx_number_atoms_nucleic_acid 1048 +_refine_hist.pdbx_number_atoms_ligand 13 +_refine_hist.number_atoms_solvent 44 +_refine_hist.number_atoms_total 1105 +_refine_hist.d_res_high 2.80 +_refine_hist.d_res_low 7.97 +# +loop_ +_refine_ls_restr.type +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.weight +_refine_ls_restr.number +_refine_ls_restr.pdbx_refine_id +_refine_ls_restr.pdbx_restraint_function +c_bond_d 0.004 ? ? ? 'X-RAY DIFFRACTION' ? +c_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? +c_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? +c_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ? +c_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? +c_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? +c_angle_deg 0.8 ? ? ? 'X-RAY DIFFRACTION' ? +c_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' ? +c_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' ? +c_dihedral_angle_d 12.4 ? ? ? 'X-RAY DIFFRACTION' ? +c_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? +c_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? +c_improper_angle_d 1.31 ? ? ? 'X-RAY DIFFRACTION' ? +c_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? +c_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? +c_mcbond_it 1.10 1.50 ? ? 'X-RAY DIFFRACTION' ? +c_mcangle_it 1.77 2.00 ? ? 'X-RAY DIFFRACTION' ? +c_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? +c_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? +# +_refine_ls_shell.pdbx_total_number_of_bins_used 6 +_refine_ls_shell.d_res_high 2.80 +_refine_ls_shell.d_res_low 2.97 +_refine_ls_shell.number_reflns_R_work 463 +_refine_ls_shell.R_factor_R_work 0.395 +_refine_ls_shell.percent_reflns_obs 94.6 +_refine_ls_shell.R_factor_R_free 0.399 +_refine_ls_shell.R_factor_R_free_error 0.052 +_refine_ls_shell.percent_reflns_R_free 11.1 +_refine_ls_shell.number_reflns_R_free 58 +_refine_ls_shell.redundancy_reflns_obs ? +_refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_ls_shell.number_reflns_all ? +_refine_ls_shell.R_factor_all ? +# +loop_ +_pdbx_xplor_file.serial_no +_pdbx_xplor_file.param_file +_pdbx_xplor_file.topol_file +_pdbx_xplor_file.pdbx_refine_id +1 WATER_REP.PARAM WATER.TOP 'X-RAY DIFFRACTION' +2 DNA-RNA.PARAM DNA-RNA.TOP 'X-RAY DIFFRACTION' +3 ION2.PARAM ION2.TOP 'X-RAY DIFFRACTION' +4 BRU_REP.PARAM ? 'X-RAY DIFFRACTION' +# +_database_PDB_matrix.entry_id 1Y95 +_database_PDB_matrix.origx[1][1] 1.000000 +_database_PDB_matrix.origx[1][2] 0.000000 +_database_PDB_matrix.origx[1][3] 0.000000 +_database_PDB_matrix.origx[2][1] 0.000000 +_database_PDB_matrix.origx[2][2] 1.000000 +_database_PDB_matrix.origx[2][3] 0.000000 +_database_PDB_matrix.origx[3][1] 0.000000 +_database_PDB_matrix.origx[3][2] 0.000000 +_database_PDB_matrix.origx[3][3] 1.000000 +_database_PDB_matrix.origx_vector[1] 0.00000 +_database_PDB_matrix.origx_vector[2] 0.00000 +_database_PDB_matrix.origx_vector[3] 0.00000 +# +_struct.entry_id 1Y95 +_struct.title 'HIV-1 Dis(Mal) Duplex Pb-Soaked' +_struct.pdbx_model_details ? +_struct.pdbx_CASP_flag ? +_struct.pdbx_model_type_details ? +# +_struct_keywords.entry_id 1Y95 +_struct_keywords.pdbx_keywords RNA +_struct_keywords.text 'RNA, HIV-1, metal ions, bulge' +# +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 1 ? +C N N 2 ? +D N N 2 ? +E N N 3 ? +F N N 2 ? +G N N 2 ? +H N N 2 ? +I N N 2 ? +J N N 3 ? +K N N 2 ? +L N N 2 ? +M N N 3 ? +N N N 2 ? +O N N 2 ? +P N N 4 ? +Q N N 4 ? +# +_struct_ref.id 1 +_struct_ref.entity_id 1 +_struct_ref.db_name PDB +_struct_ref.db_code 1Y95 +_struct_ref.pdbx_db_accession 1Y95 +_struct_ref.pdbx_db_isoform ? +_struct_ref.pdbx_seq_one_letter_code ? +_struct_ref.pdbx_align_begin ? +# +loop_ +_struct_ref_seq.align_id +_struct_ref_seq.ref_id +_struct_ref_seq.pdbx_PDB_id_code +_struct_ref_seq.pdbx_strand_id +_struct_ref_seq.seq_align_beg +_struct_ref_seq.pdbx_seq_align_beg_ins_code +_struct_ref_seq.seq_align_end +_struct_ref_seq.pdbx_seq_align_end_ins_code +_struct_ref_seq.pdbx_db_accession +_struct_ref_seq.db_align_beg +_struct_ref_seq.pdbx_db_align_beg_ins_code +_struct_ref_seq.db_align_end +_struct_ref_seq.pdbx_db_align_end_ins_code +_struct_ref_seq.pdbx_auth_seq_align_beg +_struct_ref_seq.pdbx_auth_seq_align_end +1 1 1Y95 A 1 ? 23 ? 1Y95 1 ? 23 ? 1 23 +2 1 1Y95 B 1 ? 23 ? 1Y95 1 ? 23 ? 1 23 +# +_pdbx_struct_assembly.id 1 +_pdbx_struct_assembly.details author_defined_assembly +_pdbx_struct_assembly.method_details ? +_pdbx_struct_assembly.oligomeric_details dimeric +_pdbx_struct_assembly.oligomeric_count 2 +# +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1 +_pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q +# +_pdbx_struct_oper_list.id 1 +_pdbx_struct_oper_list.type 'identity operation' +_pdbx_struct_oper_list.name 1_555 +_pdbx_struct_oper_list.symmetry_operation x,y,z +_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 +_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 +_pdbx_struct_oper_list.vector[1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 +_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 +_pdbx_struct_oper_list.vector[2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 +_pdbx_struct_oper_list.vector[3] 0.0000000000 +# +_struct_biol.id 1 +_struct_biol.pdbx_parent_biol_id ? +_struct_biol.details ? +# +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 +metalc1 metalc ? ? A U 3 O4 ? ? ? 1_555 D MG . MG ? ? A U 3 A MG 32 1_555 ? ? ? ? ? ? ? 3.118 ? ? +metalc2 metalc ? ? A G 4 O6 ? ? ? 1_555 D MG . MG ? ? A G 4 A MG 32 1_555 ? ? ? ? ? ? ? 2.920 ? ? +metalc3 metalc ? ? A A 8 OP2 ? ? ? 1_555 E PB . PB ? ? A A 8 A PB 36 1_555 ? ? ? ? ? ? ? 2.630 ? ? +metalc4 metalc ? ? A G 9 N7 ? ? ? 1_555 E PB . PB ? ? A G 9 A PB 36 1_555 ? ? ? ? ? ? ? 2.923 ? ? +metalc5 metalc ? ? A G 9 OP1 ? ? ? 1_555 J PB . PB ? ? A G 9 B PB 31 1_555 ? ? ? ? ? ? ? 2.820 ? ? +metalc6 metalc ? ? A G 10 OP2 ? ? ? 1_555 J PB . PB ? ? A G 10 B PB 31 1_555 ? ? ? ? ? ? ? 3.439 ? ? +metalc7 metalc ? ? D MG . MG ? ? ? 1_555 N MG . MG ? ? A MG 32 B MG 41 1_555 ? ? ? ? ? ? ? 2.106 ? ? +metalc8 metalc ? ? L MG . MG ? ? ? 1_555 Q HOH . O ? ? B MG 34 B HOH 116 1_555 ? ? ? ? ? ? ? 2.493 ? ? +hydrog1 hydrog ? ? A C 1 N3 ? ? ? 1_555 B G 23 N1 ? ? A C 1 B G 23 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog2 hydrog ? ? A C 1 N4 ? ? ? 1_555 B G 23 O6 ? ? A C 1 B G 23 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog3 hydrog ? ? A C 1 O2 ? ? ? 1_555 B G 23 N2 ? ? A C 1 B G 23 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog4 hydrog ? ? A U 2 N3 ? ? ? 1_555 B A 22 N1 ? ? A U 2 B A 22 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog5 hydrog ? ? A U 2 O4 ? ? ? 1_555 B A 22 N6 ? ? A U 2 B A 22 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog6 hydrog ? ? A U 3 N3 ? ? ? 1_555 B A 21 N1 ? ? A U 3 B A 21 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog7 hydrog ? ? A U 3 O4 ? ? ? 1_555 B A 21 N6 ? ? A U 3 B A 21 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog8 hydrog ? ? A G 4 N1 ? ? ? 1_555 B C 20 N3 ? ? A G 4 B C 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog9 hydrog ? ? A G 4 N2 ? ? ? 1_555 B C 20 O2 ? ? A G 4 B C 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog10 hydrog ? ? A G 4 O6 ? ? ? 1_555 B C 20 N4 ? ? A G 4 B C 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog11 hydrog ? ? A C 5 N3 ? ? ? 1_555 B G 19 N1 ? ? A C 5 B G 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog12 hydrog ? ? A C 5 N4 ? ? ? 1_555 B G 19 O6 ? ? A C 5 B G 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog13 hydrog ? ? A C 5 O2 ? ? ? 1_555 B G 19 N2 ? ? A C 5 B G 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog14 hydrog ? ? A U 6 N3 ? ? ? 1_555 B A 18 N1 ? ? A U 6 B A 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog15 hydrog ? ? A U 6 O4 ? ? ? 1_555 B A 18 N6 ? ? A U 6 B A 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog16 hydrog ? ? A G 7 N1 ? ? ? 1_555 B C 17 N3 ? ? A G 7 B C 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog17 hydrog ? ? A G 7 N2 ? ? ? 1_555 B C 17 O2 ? ? A G 7 B C 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog18 hydrog ? ? A G 7 O6 ? ? ? 1_555 B C 17 N4 ? ? A G 7 B C 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog19 hydrog ? ? A G 9 N1 ? ? ? 1_555 B A 16 N1 ? ? A G 9 B A 16 1_555 ? ? ? ? ? ? 'G-A MISPAIR' ? ? ? +hydrog20 hydrog ? ? A G 10 N1 ? ? ? 1_555 B C 15 N3 ? ? A G 10 B C 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog21 hydrog ? ? A G 10 N2 ? ? ? 1_555 B C 15 O2 ? ? A G 10 B C 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog22 hydrog ? ? A G 10 O6 ? ? ? 1_555 B C 15 N4 ? ? A G 10 B C 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog23 hydrog ? ? A U 11 N3 ? ? ? 1_555 B A 14 N1 ? ? A U 11 B A 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog24 hydrog ? ? A U 11 O4 ? ? ? 1_555 B A 14 N6 ? ? A U 11 B A 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog25 hydrog ? ? A G 12 N1 ? ? ? 1_555 B C 13 N3 ? ? A G 12 B C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog26 hydrog ? ? A G 12 N2 ? ? ? 1_555 B C 13 O2 ? ? A G 12 B C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog27 hydrog ? ? A G 12 O6 ? ? ? 1_555 B C 13 N4 ? ? A G 12 B C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog28 hydrog ? ? A C 13 N3 ? ? ? 1_555 B G 12 N1 ? ? A C 13 B G 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog29 hydrog ? ? A C 13 N4 ? ? ? 1_555 B G 12 O6 ? ? A C 13 B G 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog30 hydrog ? ? A C 13 O2 ? ? ? 1_555 B G 12 N2 ? ? A C 13 B G 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog31 hydrog ? ? A A 14 N1 ? ? ? 1_555 B U 11 N3 ? ? A A 14 B U 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog32 hydrog ? ? A A 14 N6 ? ? ? 1_555 B U 11 O4 ? ? A A 14 B U 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog33 hydrog ? ? A C 15 N3 ? ? ? 1_555 B G 10 N1 ? ? A C 15 B G 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog34 hydrog ? ? A C 15 N4 ? ? ? 1_555 B G 10 O6 ? ? A C 15 B G 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog35 hydrog ? ? A C 15 O2 ? ? ? 1_555 B G 10 N2 ? ? A C 15 B G 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog36 hydrog ? ? A A 16 N1 ? ? ? 1_555 B G 9 N1 A ? A A 16 B G 9 1_555 ? ? ? ? ? ? TYPE_8_PAIR ? ? ? +hydrog37 hydrog ? ? A A 16 N6 ? ? ? 1_555 B G 9 O6 A ? A A 16 B G 9 1_555 ? ? ? ? ? ? TYPE_8_PAIR ? ? ? +hydrog38 hydrog ? ? A C 17 N3 ? ? ? 1_555 B G 7 N1 A ? A C 17 B G 7 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog39 hydrog ? ? A C 17 N4 ? ? ? 1_555 B G 7 O6 A ? A C 17 B G 7 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog40 hydrog ? ? A C 17 O2 ? ? ? 1_555 B G 7 N2 A ? A C 17 B G 7 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog41 hydrog ? ? A A 18 N1 ? ? ? 1_555 B U 6 N3 ? ? A A 18 B U 6 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog42 hydrog ? ? A A 18 N6 ? ? ? 1_555 B U 6 O4 ? ? A A 18 B U 6 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog43 hydrog ? ? A G 19 N1 ? ? ? 1_555 B C 5 N3 ? ? A G 19 B C 5 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog44 hydrog ? ? A G 19 N2 ? ? ? 1_555 B C 5 O2 ? ? A G 19 B C 5 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog45 hydrog ? ? A G 19 O6 ? ? ? 1_555 B C 5 N4 ? ? A G 19 B C 5 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog46 hydrog ? ? A C 20 N3 ? ? ? 1_555 B G 4 N1 ? ? A C 20 B G 4 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog47 hydrog ? ? A C 20 N4 ? ? ? 1_555 B G 4 O6 ? ? A C 20 B G 4 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog48 hydrog ? ? A C 20 O2 ? ? ? 1_555 B G 4 N2 ? ? A C 20 B G 4 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog49 hydrog ? ? A A 21 N1 ? ? ? 1_555 B U 3 N3 ? ? A A 21 B U 3 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog50 hydrog ? ? A A 21 N6 ? ? ? 1_555 B U 3 O4 ? ? A A 21 B U 3 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog51 hydrog ? ? A A 22 N1 ? ? ? 1_555 B U 2 N3 ? ? A A 22 B U 2 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog52 hydrog ? ? A A 22 N6 ? ? ? 1_555 B U 2 O4 ? ? A A 22 B U 2 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog53 hydrog ? ? A G 23 N1 ? ? ? 1_555 B C 1 N3 ? ? A G 23 B C 1 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog54 hydrog ? ? A G 23 N2 ? ? ? 1_555 B C 1 O2 ? ? A G 23 B C 1 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog55 hydrog ? ? A G 23 O6 ? ? ? 1_555 B C 1 N4 ? ? A G 23 B C 1 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +# +loop_ +_struct_conn_type.id +_struct_conn_type.criteria +_struct_conn_type.reference +metalc ? ? +hydrog ? ? +# +loop_ +_pdbx_struct_conn_angle.id +_pdbx_struct_conn_angle.ptnr1_label_atom_id +_pdbx_struct_conn_angle.ptnr1_label_alt_id +_pdbx_struct_conn_angle.ptnr1_label_asym_id +_pdbx_struct_conn_angle.ptnr1_label_comp_id +_pdbx_struct_conn_angle.ptnr1_label_seq_id +_pdbx_struct_conn_angle.ptnr1_auth_atom_id +_pdbx_struct_conn_angle.ptnr1_auth_asym_id +_pdbx_struct_conn_angle.ptnr1_auth_comp_id +_pdbx_struct_conn_angle.ptnr1_auth_seq_id +_pdbx_struct_conn_angle.ptnr1_PDB_ins_code +_pdbx_struct_conn_angle.ptnr1_symmetry +_pdbx_struct_conn_angle.ptnr2_label_atom_id +_pdbx_struct_conn_angle.ptnr2_label_alt_id +_pdbx_struct_conn_angle.ptnr2_label_asym_id +_pdbx_struct_conn_angle.ptnr2_label_comp_id +_pdbx_struct_conn_angle.ptnr2_label_seq_id +_pdbx_struct_conn_angle.ptnr2_auth_atom_id +_pdbx_struct_conn_angle.ptnr2_auth_asym_id +_pdbx_struct_conn_angle.ptnr2_auth_comp_id +_pdbx_struct_conn_angle.ptnr2_auth_seq_id +_pdbx_struct_conn_angle.ptnr2_PDB_ins_code +_pdbx_struct_conn_angle.ptnr2_symmetry +_pdbx_struct_conn_angle.ptnr3_label_atom_id +_pdbx_struct_conn_angle.ptnr3_label_alt_id +_pdbx_struct_conn_angle.ptnr3_label_asym_id +_pdbx_struct_conn_angle.ptnr3_label_comp_id +_pdbx_struct_conn_angle.ptnr3_label_seq_id +_pdbx_struct_conn_angle.ptnr3_auth_atom_id +_pdbx_struct_conn_angle.ptnr3_auth_asym_id +_pdbx_struct_conn_angle.ptnr3_auth_comp_id +_pdbx_struct_conn_angle.ptnr3_auth_seq_id +_pdbx_struct_conn_angle.ptnr3_PDB_ins_code +_pdbx_struct_conn_angle.ptnr3_symmetry +_pdbx_struct_conn_angle.value +_pdbx_struct_conn_angle.value_esd +1 O4 ? A U 3 ? A U 3 ? 1_555 MG ? D MG . ? A MG 32 ? 1_555 O6 ? A G 4 ? A G 4 ? 1_555 61.8 ? +2 O4 ? A U 3 ? A U 3 ? 1_555 MG ? D MG . ? A MG 32 ? 1_555 MG ? N MG . ? B MG 41 ? 1_555 133.8 ? +3 O6 ? A G 4 ? A G 4 ? 1_555 MG ? D MG . ? A MG 32 ? 1_555 MG ? N MG . ? B MG 41 ? 1_555 94.7 ? +4 OP2 ? A A 8 ? A A 8 ? 1_555 PB ? E PB . ? A PB 36 ? 1_555 N7 ? A G 9 ? A G 9 ? 1_555 73.3 ? +5 OP1 ? A G 9 ? A G 9 ? 1_555 PB ? J PB . ? B PB 31 ? 1_555 OP2 ? A G 10 ? A G 10 ? 1_555 63.8 ? +# +loop_ +_struct_site.id +_struct_site.pdbx_evidence_code +_struct_site.pdbx_auth_asym_id +_struct_site.pdbx_auth_comp_id +_struct_site.pdbx_auth_seq_id +_struct_site.pdbx_auth_ins_code +_struct_site.pdbx_num_residues +_struct_site.details +AC1 Software B PB 31 ? 4 'BINDING SITE FOR RESIDUE PB B 31' +AC2 Software A MG 32 ? 4 'BINDING SITE FOR RESIDUE MG A 32' +AC3 Software B MG 33 ? 2 'BINDING SITE FOR RESIDUE MG B 33' +AC4 Software B MG 34 ? 3 'BINDING SITE FOR RESIDUE MG B 34' +AC5 Software B PB 35 ? 2 'BINDING SITE FOR RESIDUE PB B 35' +AC6 Software A PB 36 ? 2 'BINDING SITE FOR RESIDUE PB A 36' +AC7 Software A MG 37 ? 1 'BINDING SITE FOR RESIDUE MG A 37' +AC8 Software A MG 38 ? 1 'BINDING SITE FOR RESIDUE MG A 38' +AC9 Software A MG 40 ? 2 'BINDING SITE FOR RESIDUE MG A 40' +BC1 Software B MG 41 ? 1 'BINDING SITE FOR RESIDUE MG B 41' +BC2 Software A MG 43 ? 1 'BINDING SITE FOR RESIDUE MG A 43' +# +loop_ +_struct_site_gen.id +_struct_site_gen.site_id +_struct_site_gen.pdbx_num_res +_struct_site_gen.label_comp_id +_struct_site_gen.label_asym_id +_struct_site_gen.label_seq_id +_struct_site_gen.pdbx_auth_ins_code +_struct_site_gen.auth_comp_id +_struct_site_gen.auth_asym_id +_struct_site_gen.auth_seq_id +_struct_site_gen.label_atom_id +_struct_site_gen.label_alt_id +_struct_site_gen.symmetry +_struct_site_gen.details +1 AC1 4 G A 9 ? G A 9 . ? 1_555 ? +2 AC1 4 G A 10 ? G A 10 . ? 1_555 ? +3 AC1 4 A B 8 ? A B 8 . ? 1_555 ? +4 AC1 4 G B 9 ? G B 9 . ? 1_555 ? +5 AC2 4 U A 3 ? U A 3 . ? 1_555 ? +6 AC2 4 G A 4 ? G A 4 . ? 1_555 ? +7 AC2 4 MG H . ? MG A 40 . ? 1_555 ? +8 AC2 4 MG N . ? MG B 41 . ? 1_555 ? +9 AC3 2 U B 3 ? U B 3 . ? 1_555 ? +10 AC3 2 G B 4 ? G B 4 . ? 1_555 ? +11 AC4 3 U B 6 ? U B 6 . ? 1_555 ? +12 AC4 3 G B 7 ? G B 7 . ? 1_555 ? +13 AC4 3 HOH Q . ? HOH B 116 . ? 1_555 ? +14 AC5 2 A B 8 ? A B 8 . ? 1_555 ? +15 AC5 2 G B 9 ? G B 9 . ? 1_555 ? +16 AC6 2 A A 8 ? A A 8 . ? 1_555 ? +17 AC6 2 G A 9 ? G A 9 . ? 1_555 ? +18 AC7 1 G A 12 ? G A 12 . ? 1_555 ? +19 AC8 1 C A 1 ? C A 1 . ? 1_455 ? +20 AC9 2 G A 4 ? G A 4 . ? 1_555 ? +21 AC9 2 MG D . ? MG A 32 . ? 1_555 ? +22 BC1 1 MG D . ? MG A 32 . ? 1_555 ? +23 BC2 1 G A 19 ? G A 19 . ? 1_555 ? +# +loop_ +_pdbx_validate_polymer_linkage.id +_pdbx_validate_polymer_linkage.PDB_model_num +_pdbx_validate_polymer_linkage.auth_atom_id_1 +_pdbx_validate_polymer_linkage.auth_asym_id_1 +_pdbx_validate_polymer_linkage.auth_comp_id_1 +_pdbx_validate_polymer_linkage.auth_seq_id_1 +_pdbx_validate_polymer_linkage.PDB_ins_code_1 +_pdbx_validate_polymer_linkage.label_alt_id_1 +_pdbx_validate_polymer_linkage.auth_atom_id_2 +_pdbx_validate_polymer_linkage.auth_asym_id_2 +_pdbx_validate_polymer_linkage.auth_comp_id_2 +_pdbx_validate_polymer_linkage.auth_seq_id_2 +_pdbx_validate_polymer_linkage.PDB_ins_code_2 +_pdbx_validate_polymer_linkage.label_alt_id_2 +_pdbx_validate_polymer_linkage.dist +1 1 "O3'" B U 6 ? ? P B G 7 ? B 2.88 +2 1 "O3'" B G 9 ? A P B G 10 ? ? 2.71 +# +_pdbx_struct_special_symmetry.id 1 +_pdbx_struct_special_symmetry.PDB_model_num 1 +_pdbx_struct_special_symmetry.auth_asym_id B +_pdbx_struct_special_symmetry.auth_comp_id HOH +_pdbx_struct_special_symmetry.auth_seq_id 117 +_pdbx_struct_special_symmetry.PDB_ins_code ? +_pdbx_struct_special_symmetry.label_asym_id Q +_pdbx_struct_special_symmetry.label_comp_id HOH +_pdbx_struct_special_symmetry.label_seq_id . +# +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 +MG MG MG N N 114 +PB PB PB N N 115 +U OP3 O N N 116 +U P P N N 117 +U OP1 O N N 118 +U OP2 O N N 119 +U "O5'" O N N 120 +U "C5'" C N N 121 +U "C4'" C N R 122 +U "O4'" O N N 123 +U "C3'" C N S 124 +U "O3'" O N N 125 +U "C2'" C N R 126 +U "O2'" O N N 127 +U "C1'" C N R 128 +U N1 N N N 129 +U C2 C N N 130 +U O2 O N N 131 +U N3 N N N 132 +U C4 C N N 133 +U O4 O N N 134 +U C5 C N N 135 +U C6 C N N 136 +U HOP3 H N N 137 +U HOP2 H N N 138 +U "H5'" H N N 139 +U "H5''" H N N 140 +U "H4'" H N N 141 +U "H3'" H N N 142 +U "HO3'" H N N 143 +U "H2'" H N N 144 +U "HO2'" H N N 145 +U "H1'" H N N 146 +U H3 H N N 147 +U H5 H N N 148 +U H6 H N N 149 +# +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 +U OP3 P sing N N 118 +U OP3 HOP3 sing N N 119 +U P OP1 doub N N 120 +U P OP2 sing N N 121 +U P "O5'" sing N N 122 +U OP2 HOP2 sing N N 123 +U "O5'" "C5'" sing N N 124 +U "C5'" "C4'" sing N N 125 +U "C5'" "H5'" sing N N 126 +U "C5'" "H5''" sing N N 127 +U "C4'" "O4'" sing N N 128 +U "C4'" "C3'" sing N N 129 +U "C4'" "H4'" sing N N 130 +U "O4'" "C1'" sing N N 131 +U "C3'" "O3'" sing N N 132 +U "C3'" "C2'" sing N N 133 +U "C3'" "H3'" sing N N 134 +U "O3'" "HO3'" sing N N 135 +U "C2'" "O2'" sing N N 136 +U "C2'" "C1'" sing N N 137 +U "C2'" "H2'" sing N N 138 +U "O2'" "HO2'" sing N N 139 +U "C1'" N1 sing N N 140 +U "C1'" "H1'" sing N N 141 +U N1 C2 sing N N 142 +U N1 C6 sing N N 143 +U C2 O2 doub N N 144 +U C2 N3 sing N N 145 +U N3 C4 sing N N 146 +U N3 H3 sing N N 147 +U C4 O4 doub N N 148 +U C4 C5 sing N N 149 +U C5 C6 doub N N 150 +U C5 H5 sing N N 151 +U C6 H6 sing N N 152 +# +loop_ +_ndb_struct_conf_na.entry_id +_ndb_struct_conf_na.feature +1Y95 'double helix' +1Y95 'a-form double helix' +1Y95 'bulge loop' +1Y95 '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 C 1 1_555 B G 23 1_555 0.605 -0.438 0.598 2.483 -20.286 -2.191 1 A_C1:G23_B A 1 ? B 23 ? 19 1 +1 A U 2 1_555 B A 22 1_555 -0.119 -0.435 0.289 -3.680 -17.990 4.264 2 A_U2:A22_B A 2 ? B 22 ? 20 1 +1 A U 3 1_555 B A 21 1_555 -0.130 -0.322 0.240 3.495 -8.648 6.003 3 A_U3:A21_B A 3 ? B 21 ? 20 1 +1 A G 4 1_555 B C 20 1_555 0.050 0.169 0.129 1.420 -7.589 8.420 4 A_G4:C20_B A 4 ? B 20 ? 19 1 +1 A C 5 1_555 B G 19 1_555 0.630 -0.347 0.083 4.213 -12.985 -3.399 5 A_C5:G19_B A 5 ? B 19 ? 19 1 +1 A U 6 1_555 B A 18 1_555 -0.084 -0.203 0.175 -6.681 -16.534 -1.471 6 A_U6:A18_B A 6 ? B 18 ? 20 1 +1 A G 7 1_555 B C 17 1_555 0.168 -0.161 0.133 -0.555 -8.341 -1.252 7 A_G7:C17_B A 7 ? B 17 ? 19 1 +1 A G 9 1_555 B A 16 1_555 -0.156 1.673 -0.482 21.719 -9.779 3.537 8 A_G9:A16_B A 9 ? B 16 ? ? 1 +1 A G 10 1_555 B C 15 1_555 -0.155 -0.141 -0.023 -11.556 -14.358 1.298 9 A_G10:C15_B A 10 ? B 15 ? 19 1 +1 A U 11 1_555 B A 14 1_555 0.337 -0.522 0.348 -9.511 -3.178 0.533 10 A_U11:A14_B A 11 ? B 14 ? 20 1 +1 A G 12 1_555 B C 13 1_555 -0.223 -0.279 0.139 -4.629 -24.165 3.897 11 A_G12:C13_B A 12 ? B 13 ? 19 1 +1 A C 13 1_555 B G 12 1_555 -0.087 -0.148 0.411 -1.823 -12.618 -0.263 12 A_C13:G12_B A 13 ? B 12 ? 19 1 +1 A A 14 1_555 B U 11 1_555 -0.027 -0.389 1.107 19.196 -2.241 1.944 13 A_A14:U11_B A 14 ? B 11 ? 20 1 +1 A C 15 1_555 B G 10 1_555 -0.390 -0.258 0.478 2.494 -10.268 -2.836 14 A_C15:G10_B A 15 ? B 10 ? 19 1 +1 A A 16 1_555 B G 9 1_555 -0.353 1.287 -0.359 -12.805 -23.275 -6.272 15 A_A16:G9_B A 16 ? B 9 ? 8 1 +1 A C 17 1_555 B G 7 1_555 0.543 -0.056 0.055 -0.284 -0.435 4.112 16 A_C17:G7_B A 17 ? B 7 ? 19 1 +1 A A 18 1_555 B U 6 1_555 -0.265 -0.180 0.315 6.141 -2.629 2.043 17 A_A18:U6_B A 18 ? B 6 ? 20 1 +1 A G 19 1_555 B C 5 1_555 -0.433 -0.540 0.289 8.248 -13.567 -2.400 18 A_G19:C5_B A 19 ? B 5 ? 19 1 +1 A C 20 1_555 B G 4 1_555 0.083 -0.233 0.149 -3.900 -8.045 5.092 19 A_C20:G4_B A 20 ? B 4 ? 19 1 +1 A A 21 1_555 B U 3 1_555 0.071 -0.103 0.362 4.668 -13.944 10.046 20 A_A21:U3_B A 21 ? B 3 ? 20 1 +1 A A 22 1_555 B U 2 1_555 -0.016 -0.326 0.280 14.607 -11.582 0.079 21 A_A22:U2_B A 22 ? B 2 ? 20 1 +1 A G 23 1_555 B C 1 1_555 -0.445 -0.383 -0.187 -1.758 -14.181 2.320 22 A_G23:C1_B A 23 ? B 1 ? 19 1 +# +loop_ +_ndb_struct_na_base_pair_step.model_number +_ndb_struct_na_base_pair_step.i_label_asym_id_1 +_ndb_struct_na_base_pair_step.i_label_comp_id_1 +_ndb_struct_na_base_pair_step.i_label_seq_id_1 +_ndb_struct_na_base_pair_step.i_symmetry_1 +_ndb_struct_na_base_pair_step.j_label_asym_id_1 +_ndb_struct_na_base_pair_step.j_label_comp_id_1 +_ndb_struct_na_base_pair_step.j_label_seq_id_1 +_ndb_struct_na_base_pair_step.j_symmetry_1 +_ndb_struct_na_base_pair_step.i_label_asym_id_2 +_ndb_struct_na_base_pair_step.i_label_comp_id_2 +_ndb_struct_na_base_pair_step.i_label_seq_id_2 +_ndb_struct_na_base_pair_step.i_symmetry_2 +_ndb_struct_na_base_pair_step.j_label_asym_id_2 +_ndb_struct_na_base_pair_step.j_label_comp_id_2 +_ndb_struct_na_base_pair_step.j_label_seq_id_2 +_ndb_struct_na_base_pair_step.j_symmetry_2 +_ndb_struct_na_base_pair_step.shift +_ndb_struct_na_base_pair_step.slide +_ndb_struct_na_base_pair_step.rise +_ndb_struct_na_base_pair_step.tilt +_ndb_struct_na_base_pair_step.roll +_ndb_struct_na_base_pair_step.twist +_ndb_struct_na_base_pair_step.x_displacement +_ndb_struct_na_base_pair_step.y_displacement +_ndb_struct_na_base_pair_step.helical_rise +_ndb_struct_na_base_pair_step.inclination +_ndb_struct_na_base_pair_step.tip +_ndb_struct_na_base_pair_step.helical_twist +_ndb_struct_na_base_pair_step.step_number +_ndb_struct_na_base_pair_step.step_name +_ndb_struct_na_base_pair_step.i_auth_asym_id_1 +_ndb_struct_na_base_pair_step.i_auth_seq_id_1 +_ndb_struct_na_base_pair_step.i_PDB_ins_code_1 +_ndb_struct_na_base_pair_step.j_auth_asym_id_1 +_ndb_struct_na_base_pair_step.j_auth_seq_id_1 +_ndb_struct_na_base_pair_step.j_PDB_ins_code_1 +_ndb_struct_na_base_pair_step.i_auth_asym_id_2 +_ndb_struct_na_base_pair_step.i_auth_seq_id_2 +_ndb_struct_na_base_pair_step.i_PDB_ins_code_2 +_ndb_struct_na_base_pair_step.j_auth_asym_id_2 +_ndb_struct_na_base_pair_step.j_auth_seq_id_2 +_ndb_struct_na_base_pair_step.j_PDB_ins_code_2 +1 A C 1 1_555 B G 23 1_555 A U 2 1_555 B A 22 1_555 -0.251 -1.872 3.210 -3.758 13.263 33.009 -4.747 -0.071 2.325 22.177 6.283 +35.698 1 AA_C1U2:A22G23_BB A 1 ? B 23 ? A 2 ? B 22 ? +1 A U 2 1_555 B A 22 1_555 A U 3 1_555 B A 21 1_555 -0.109 -1.231 3.102 -2.229 4.339 33.473 -2.765 -0.147 2.924 7.485 3.844 +33.817 2 AA_U2U3:A21A22_BB A 2 ? B 22 ? A 3 ? B 21 ? +1 A U 3 1_555 B A 21 1_555 A G 4 1_555 B C 20 1_555 0.150 -1.635 3.011 2.192 12.385 30.793 -4.585 0.042 2.212 22.197 -3.928 +33.205 3 AA_U3G4:C20A21_BB A 3 ? B 21 ? A 4 ? B 20 ? +1 A G 4 1_555 B C 20 1_555 A C 5 1_555 B G 19 1_555 -0.644 -1.140 3.302 0.183 5.727 34.700 -2.727 1.093 3.078 9.521 -0.305 +35.155 4 AA_G4C5:G19C20_BB A 4 ? B 20 ? A 5 ? B 19 ? +1 A C 5 1_555 B G 19 1_555 A U 6 1_555 B A 18 1_555 0.205 -1.517 3.435 3.035 14.125 27.555 -5.408 0.171 2.400 27.397 -5.887 +31.047 5 AA_C5U6:A18G19_BB A 5 ? B 19 ? A 6 ? B 18 ? +1 A U 6 1_555 B A 18 1_555 A G 7 1_555 B C 17 1_555 0.616 -1.650 2.956 0.894 16.145 31.515 -4.610 -0.911 1.926 27.572 -1.527 +35.327 6 AA_U6G7:C17A18_BB A 6 ? B 18 ? A 7 ? B 17 ? +1 A G 7 1_555 B C 17 1_555 A G 9 1_555 B A 16 1_555 -1.311 0.045 2.940 4.621 4.336 38.957 -0.382 2.421 2.762 6.449 -6.873 +39.450 7 AA_G7G9:A16C17_BB A 7 ? B 17 ? A 9 ? B 16 ? +1 A G 9 1_555 B A 16 1_555 A G 10 1_555 B C 15 1_555 -0.420 -2.153 3.838 -7.473 14.983 34.134 -5.349 -0.369 2.722 23.830 11.885 +37.909 8 AA_G9G10:C15A16_BB A 9 ? B 16 ? A 10 ? B 15 ? +1 A G 10 1_555 B C 15 1_555 A U 11 1_555 B A 14 1_555 -0.371 -1.519 3.302 -3.360 1.626 34.421 -2.805 0.104 3.250 2.738 5.657 +34.617 9 AA_G10U11:A14C15_BB A 10 ? B 15 ? A 11 ? B 14 ? +1 A U 11 1_555 B A 14 1_555 A G 12 1_555 B C 13 1_555 0.305 -1.269 3.050 7.898 8.750 28.223 -3.957 0.818 2.545 17.035 -15.376 +30.540 10 AA_U11G12:C13A14_BB A 11 ? B 14 ? A 12 ? B 13 ? +1 A G 12 1_555 B C 13 1_555 A C 13 1_555 B G 12 1_555 -0.268 -1.319 3.233 -4.320 8.826 30.332 -3.917 -0.253 2.762 16.337 7.997 +31.848 11 AA_G12C13:G12C13_BB A 12 ? B 13 ? A 13 ? B 12 ? +1 A C 13 1_555 B G 12 1_555 A A 14 1_555 B U 11 1_555 0.374 -1.718 2.429 -5.929 3.152 30.355 -3.634 -1.500 2.135 5.929 11.152 +31.072 12 AA_C13A14:U11G12_BB A 13 ? B 12 ? A 14 ? B 11 ? +1 A A 14 1_555 B U 11 1_555 A C 15 1_555 B G 10 1_555 0.172 -1.681 3.605 4.675 5.244 34.388 -3.630 0.463 3.315 8.756 -7.806 +35.077 13 AA_A14C15:G10U11_BB A 14 ? B 11 ? A 15 ? B 10 ? +1 A C 15 1_555 B G 10 1_555 A A 16 1_555 B G 9 1_555 -0.005 -1.976 3.335 9.179 12.728 34.807 -4.518 1.081 2.417 20.063 -14.470 +38.081 14 AA_C15A16:G9G10_BB A 15 ? B 10 ? A 16 ? B 9 ? +1 A A 16 1_555 B G 9 1_555 A C 17 1_555 B G 7 1_555 1.298 0.020 3.349 -10.031 -0.528 40.683 0.082 -2.845 2.961 -0.745 14.169 +41.854 15 AA_A16C17:G7G9_BB A 16 ? B 9 ? A 17 ? B 7 ? +1 A C 17 1_555 B G 7 1_555 A A 18 1_555 B U 6 1_555 -0.229 -1.563 2.829 -3.946 16.237 27.739 -4.962 -0.112 1.696 30.602 7.437 +32.298 16 AA_C17A18:U6G7_BB A 17 ? B 7 ? A 18 ? B 6 ? +1 A A 18 1_555 B U 6 1_555 A G 19 1_555 B C 5 1_555 -0.081 -1.568 3.232 0.828 8.864 31.537 -4.196 0.276 2.701 15.916 -1.486 +32.739 17 AA_A18G19:C5U6_BB A 18 ? B 6 ? A 19 ? B 5 ? +1 A G 19 1_555 B C 5 1_555 A C 20 1_555 B G 4 1_555 0.744 -1.433 3.671 0.576 3.337 34.424 -2.978 -1.153 3.532 5.622 -0.970 +34.585 18 AA_G19C20:G4C5_BB A 19 ? B 5 ? A 20 ? B 4 ? +1 A C 20 1_555 B G 4 1_555 A A 21 1_555 B U 3 1_555 0.060 -1.313 2.938 1.249 8.369 31.471 -3.580 0.078 2.515 15.091 -2.252 +32.561 19 AA_C20A21:U3G4_BB A 20 ? B 4 ? A 21 ? B 3 ? +1 A A 21 1_555 B U 3 1_555 A A 22 1_555 B U 2 1_555 -0.608 -1.026 2.925 0.988 9.815 32.363 -3.111 1.181 2.497 17.119 -1.723 +33.794 20 AA_A21A22:U2U3_BB A 21 ? B 3 ? A 22 ? B 2 ? +1 A A 22 1_555 B U 2 1_555 A G 23 1_555 B C 1 1_555 0.419 -1.426 3.652 5.055 20.252 31.649 -4.849 0.014 2.387 33.025 -8.244 +37.766 21 AA_A22G23:C1U2_BB A 22 ? B 2 ? A 23 ? B 1 ? +# +_atom_sites.entry_id 1Y95 +_atom_sites.fract_transf_matrix[1][1] 0.016892 +_atom_sites.fract_transf_matrix[1][2] 0.009753 +_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] 0.019505 +_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] 0.015198 +_atom_sites.fract_transf_vector[1] 0.00000 +_atom_sites.fract_transf_vector[2] 0.00000 +_atom_sites.fract_transf_vector[3] 0.00000 +# +loop_ +_atom_type.symbol +C +MG +N +O +P +PB +# +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'" . C A 1 1 ? 87.842 10.877 26.011 1.00 53.24 ? 1 C A "O5'" 1 +ATOM 2 C "C5'" . C A 1 1 ? 87.884 10.806 27.443 1.00 52.79 ? 1 C A "C5'" 1 +ATOM 3 C "C4'" . C A 1 1 ? 88.630 11.973 28.045 1.00 51.70 ? 1 C A "C4'" 1 +ATOM 4 O "O4'" . C A 1 1 ? 89.945 12.063 27.444 1.00 51.91 ? 1 C A "O4'" 1 +ATOM 5 C "C3'" . C A 1 1 ? 88.014 13.337 27.800 1.00 52.27 ? 1 C A "C3'" 1 +ATOM 6 O "O3'" . C A 1 1 ? 87.014 13.602 28.774 1.00 53.51 ? 1 C A "O3'" 1 +ATOM 7 C "C2'" . C A 1 1 ? 89.212 14.264 27.945 1.00 51.32 ? 1 C A "C2'" 1 +ATOM 8 O "O2'" . C A 1 1 ? 89.549 14.499 29.295 1.00 52.62 ? 1 C A "O2'" 1 +ATOM 9 C "C1'" . C A 1 1 ? 90.321 13.422 27.314 1.00 50.43 ? 1 C A "C1'" 1 +ATOM 10 N N1 . C A 1 1 ? 90.533 13.697 25.890 1.00 48.72 ? 1 C A N1 1 +ATOM 11 C C2 . C A 1 1 ? 91.047 14.926 25.517 1.00 47.85 ? 1 C A C2 1 +ATOM 12 O O2 . C A 1 1 ? 91.318 15.750 26.398 1.00 48.43 ? 1 C A O2 1 +ATOM 13 N N3 . C A 1 1 ? 91.237 15.191 24.207 1.00 48.46 ? 1 C A N3 1 +ATOM 14 C C4 . C A 1 1 ? 90.934 14.270 23.289 1.00 49.06 ? 1 C A C4 1 +ATOM 15 N N4 . C A 1 1 ? 91.135 14.569 22.006 1.00 49.62 ? 1 C A N4 1 +ATOM 16 C C5 . C A 1 1 ? 90.410 13.001 23.645 1.00 48.88 ? 1 C A C5 1 +ATOM 17 C C6 . C A 1 1 ? 90.227 12.759 24.946 1.00 48.95 ? 1 C A C6 1 +ATOM 18 P P . U A 1 2 ? 85.742 14.503 28.391 1.00 54.82 ? 2 U A P 1 +ATOM 19 O OP1 . U A 1 2 ? 84.864 14.559 29.595 1.00 53.56 ? 2 U A OP1 1 +ATOM 20 O OP2 . U A 1 2 ? 85.202 13.982 27.100 1.00 54.39 ? 2 U A OP2 1 +ATOM 21 O "O5'" . U A 1 2 ? 86.348 15.956 28.143 1.00 52.13 ? 2 U A "O5'" 1 +ATOM 22 C "C5'" . U A 1 2 ? 86.689 16.806 29.248 1.00 53.17 ? 2 U A "C5'" 1 +ATOM 23 C "C4'" . U A 1 2 ? 87.117 18.158 28.745 1.00 54.25 ? 2 U A "C4'" 1 +ATOM 24 O "O4'" . U A 1 2 ? 88.338 18.023 27.978 1.00 54.74 ? 2 U A "O4'" 1 +ATOM 25 C "C3'" . U A 1 2 ? 86.158 18.812 27.772 1.00 56.43 ? 2 U A "C3'" 1 +ATOM 26 O "O3'" . U A 1 2 ? 85.085 19.449 28.449 1.00 58.59 ? 2 U A "O3'" 1 +ATOM 27 C "C2'" . U A 1 2 ? 87.065 19.798 27.047 1.00 56.33 ? 2 U A "C2'" 1 +ATOM 28 O "O2'" . U A 1 2 ? 87.343 20.957 27.801 1.00 57.30 ? 2 U A "O2'" 1 +ATOM 29 C "C1'" . U A 1 2 ? 88.350 18.982 26.931 1.00 55.46 ? 2 U A "C1'" 1 +ATOM 30 N N1 . U A 1 2 ? 88.475 18.276 25.648 1.00 55.55 ? 2 U A N1 1 +ATOM 31 C C2 . U A 1 2 ? 88.864 19.016 24.555 1.00 55.65 ? 2 U A C2 1 +ATOM 32 O O2 . U A 1 2 ? 89.055 20.220 24.607 1.00 56.45 ? 2 U A O2 1 +ATOM 33 N N3 . U A 1 2 ? 89.011 18.299 23.396 1.00 55.28 ? 2 U A N3 1 +ATOM 34 C C4 . U A 1 2 ? 88.798 16.952 23.220 1.00 54.42 ? 2 U A C4 1 +ATOM 35 O O4 . U A 1 2 ? 89.022 16.442 22.121 1.00 53.87 ? 2 U A O4 1 +ATOM 36 C C5 . U A 1 2 ? 88.368 16.262 24.391 1.00 54.45 ? 2 U A C5 1 +ATOM 37 C C6 . U A 1 2 ? 88.227 16.930 25.538 1.00 55.70 ? 2 U A C6 1 +ATOM 38 P P . U A 1 3 ? 83.656 19.585 27.727 1.00 59.46 ? 3 U A P 1 +ATOM 39 O OP1 . U A 1 3 ? 82.758 20.201 28.735 1.00 60.70 ? 3 U A OP1 1 +ATOM 40 O OP2 . U A 1 3 ? 83.295 18.275 27.123 1.00 58.90 ? 3 U A OP2 1 +ATOM 41 O "O5'" . U A 1 3 ? 83.911 20.657 26.575 1.00 58.29 ? 3 U A "O5'" 1 +ATOM 42 C "C5'" . U A 1 3 ? 84.071 22.043 26.918 1.00 59.81 ? 3 U A "C5'" 1 +ATOM 43 C "C4'" . U A 1 3 ? 84.374 22.872 25.695 1.00 60.82 ? 3 U A "C4'" 1 +ATOM 44 O "O4'" . U A 1 3 ? 85.653 22.474 25.133 1.00 61.05 ? 3 U A "O4'" 1 +ATOM 45 C "C3'" . U A 1 3 ? 83.423 22.747 24.520 1.00 61.55 ? 3 U A "C3'" 1 +ATOM 46 O "O3'" . U A 1 3 ? 82.209 23.474 24.697 1.00 62.93 ? 3 U A "O3'" 1 +ATOM 47 C "C2'" . U A 1 3 ? 84.283 23.291 23.387 1.00 61.02 ? 3 U A "C2'" 1 +ATOM 48 O "O2'" . U A 1 3 ? 84.424 24.699 23.445 1.00 61.82 ? 3 U A "O2'" 1 +ATOM 49 C "C1'" . U A 1 3 ? 85.630 22.654 23.724 1.00 58.91 ? 3 U A "C1'" 1 +ATOM 50 N N1 . U A 1 3 ? 85.787 21.336 23.095 1.00 56.00 ? 3 U A N1 1 +ATOM 51 C C2 . U A 1 3 ? 86.261 21.289 21.795 1.00 54.58 ? 3 U A C2 1 +ATOM 52 O O2 . U A 1 3 ? 86.548 22.290 21.151 1.00 51.68 ? 3 U A O2 1 +ATOM 53 N N3 . U A 1 3 ? 86.382 20.024 21.273 1.00 54.12 ? 3 U A N3 1 +ATOM 54 C C4 . U A 1 3 ? 86.083 18.831 21.901 1.00 54.60 ? 3 U A C4 1 +ATOM 55 O O4 . U A 1 3 ? 86.209 17.771 21.284 1.00 54.72 ? 3 U A O4 1 +ATOM 56 C C5 . U A 1 3 ? 85.601 18.967 23.239 1.00 55.40 ? 3 U A C5 1 +ATOM 57 C C6 . U A 1 3 ? 85.472 20.184 23.777 1.00 55.68 ? 3 U A C6 1 +ATOM 58 P P . G A 1 4 ? 80.877 22.980 23.938 1.00 62.91 ? 4 G A P 1 +ATOM 59 O OP1 . G A 1 4 ? 79.738 23.780 24.447 1.00 63.71 ? 4 G A OP1 1 +ATOM 60 O OP2 . G A 1 4 ? 80.829 21.494 24.021 1.00 62.51 ? 4 G A OP2 1 +ATOM 61 O "O5'" . G A 1 4 ? 81.137 23.370 22.415 1.00 61.36 ? 4 G A "O5'" 1 +ATOM 62 C "C5'" . G A 1 4 ? 81.398 24.738 22.042 1.00 60.93 ? 4 G A "C5'" 1 +ATOM 63 C "C4'" . G A 1 4 ? 81.804 24.818 20.588 1.00 60.05 ? 4 G A "C4'" 1 +ATOM 64 O "O4'" . G A 1 4 ? 83.068 24.135 20.397 1.00 58.95 ? 4 G A "O4'" 1 +ATOM 65 C "C3'" . G A 1 4 ? 80.863 24.141 19.608 1.00 59.62 ? 4 G A "C3'" 1 +ATOM 66 O "O3'" . G A 1 4 ? 79.770 24.998 19.288 1.00 62.22 ? 4 G A "O3'" 1 +ATOM 67 C "C2'" . G A 1 4 ? 81.779 23.881 18.421 1.00 57.83 ? 4 G A "C2'" 1 +ATOM 68 O "O2'" . G A 1 4 ? 82.007 25.052 17.672 1.00 56.59 ? 4 G A "O2'" 1 +ATOM 69 C "C1'" . G A 1 4 ? 83.083 23.510 19.127 1.00 57.33 ? 4 G A "C1'" 1 +ATOM 70 N N9 . G A 1 4 ? 83.263 22.079 19.336 1.00 56.89 ? 4 G A N9 1 +ATOM 71 C C8 . G A 1 4 ? 83.011 21.372 20.488 1.00 57.46 ? 4 G A C8 1 +ATOM 72 N N7 . G A 1 4 ? 83.296 20.103 20.383 1.00 56.53 ? 4 G A N7 1 +ATOM 73 C C5 . G A 1 4 ? 83.761 19.963 19.082 1.00 55.70 ? 4 G A C5 1 +ATOM 74 C C6 . G A 1 4 ? 84.227 18.814 18.391 1.00 54.74 ? 4 G A C6 1 +ATOM 75 O O6 . G A 1 4 ? 84.339 17.649 18.810 1.00 53.75 ? 4 G A O6 1 +ATOM 76 N N1 . G A 1 4 ? 84.590 19.120 17.082 1.00 53.15 ? 4 G A N1 1 +ATOM 77 C C2 . G A 1 4 ? 84.519 20.368 16.513 1.00 52.97 ? 4 G A C2 1 +ATOM 78 N N2 . G A 1 4 ? 84.908 20.459 15.235 1.00 51.73 ? 4 G A N2 1 +ATOM 79 N N3 . G A 1 4 ? 84.097 21.446 17.149 1.00 53.65 ? 4 G A N3 1 +ATOM 80 C C4 . G A 1 4 ? 83.737 21.172 18.420 1.00 55.62 ? 4 G A C4 1 +ATOM 81 P P . C A 1 5 ? 78.364 24.366 18.828 1.00 62.33 ? 5 C A P 1 +ATOM 82 O OP1 . C A 1 5 ? 77.368 25.468 18.797 1.00 62.79 ? 5 C A OP1 1 +ATOM 83 O OP2 . C A 1 5 ? 78.098 23.152 19.645 1.00 63.41 ? 5 C A OP2 1 +ATOM 84 O "O5'" . C A 1 5 ? 78.640 23.898 17.334 1.00 59.88 ? 5 C A "O5'" 1 +ATOM 85 C "C5'" . C A 1 5 ? 79.081 24.844 16.352 1.00 58.48 ? 5 C A "C5'" 1 +ATOM 86 C "C4'" . C A 1 5 ? 79.512 24.131 15.100 1.00 56.99 ? 5 C A "C4'" 1 +ATOM 87 O "O4'" . C A 1 5 ? 80.697 23.341 15.369 1.00 55.86 ? 5 C A "O4'" 1 +ATOM 88 C "C3'" . C A 1 5 ? 78.523 23.116 14.565 1.00 56.67 ? 5 C A "C3'" 1 +ATOM 89 O "O3'" . C A 1 5 ? 77.474 23.737 13.845 1.00 55.66 ? 5 C A "O3'" 1 +ATOM 90 C "C2'" . C A 1 5 ? 79.416 22.240 13.697 1.00 56.53 ? 5 C A "C2'" 1 +ATOM 91 O "O2'" . C A 1 5 ? 79.737 22.834 12.454 1.00 56.98 ? 5 C A "O2'" 1 +ATOM 92 C "C1'" . C A 1 5 ? 80.682 22.181 14.553 1.00 55.85 ? 5 C A "C1'" 1 +ATOM 93 N N1 . C A 1 5 ? 80.740 21.000 15.425 1.00 53.82 ? 5 C A N1 1 +ATOM 94 C C2 . C A 1 5 ? 81.265 19.821 14.906 1.00 53.71 ? 5 C A C2 1 +ATOM 95 O O2 . C A 1 5 ? 81.620 19.799 13.718 1.00 54.10 ? 5 C A O2 1 +ATOM 96 N N3 . C A 1 5 ? 81.365 18.736 15.702 1.00 53.19 ? 5 C A N3 1 +ATOM 97 C C4 . C A 1 5 ? 80.945 18.798 16.966 1.00 53.12 ? 5 C A C4 1 +ATOM 98 N N4 . C A 1 5 ? 81.064 17.701 17.716 1.00 54.01 ? 5 C A N4 1 +ATOM 99 C C5 . C A 1 5 ? 80.385 19.985 17.516 1.00 52.50 ? 5 C A C5 1 +ATOM 100 C C6 . C A 1 5 ? 80.303 21.053 16.718 1.00 52.78 ? 5 C A C6 1 +ATOM 101 P P . U A 1 6 ? 76.009 23.085 13.869 1.00 56.80 ? 6 U A P 1 +ATOM 102 O OP1 . U A 1 6 ? 75.103 24.026 13.177 1.00 57.60 ? 6 U A OP1 1 +ATOM 103 O OP2 . U A 1 6 ? 75.698 22.643 15.249 1.00 55.41 ? 6 U A OP2 1 +ATOM 104 O "O5'" . U A 1 6 ? 76.170 21.786 12.969 1.00 55.92 ? 6 U A "O5'" 1 +ATOM 105 C "C5'" . U A 1 6 ? 76.666 21.895 11.633 1.00 54.32 ? 6 U A "C5'" 1 +ATOM 106 C "C4'" . U A 1 6 ? 76.943 20.530 11.067 1.00 53.83 ? 6 U A "C4'" 1 +ATOM 107 O "O4'" . U A 1 6 ? 78.149 19.963 11.648 1.00 52.86 ? 6 U A "O4'" 1 +ATOM 108 C "C3'" . U A 1 6 ? 75.911 19.468 11.368 1.00 54.12 ? 6 U A "C3'" 1 +ATOM 109 O "O3'" . U A 1 6 ? 74.725 19.596 10.607 1.00 54.58 ? 6 U A "O3'" 1 +ATOM 110 C "C2'" . U A 1 6 ? 76.687 18.212 11.014 1.00 54.35 ? 6 U A "C2'" 1 +ATOM 111 O "O2'" . U A 1 6 ? 76.789 18.051 9.613 1.00 56.00 ? 6 U A "O2'" 1 +ATOM 112 C "C1'" . U A 1 6 ? 78.062 18.544 11.600 1.00 52.40 ? 6 U A "C1'" 1 +ATOM 113 N N1 . U A 1 6 ? 78.186 18.014 12.964 1.00 49.59 ? 6 U A N1 1 +ATOM 114 C C2 . U A 1 6 ? 78.633 16.711 13.113 1.00 48.84 ? 6 U A C2 1 +ATOM 115 O O2 . U A 1 6 ? 78.968 16.012 12.174 1.00 48.66 ? 6 U A O2 1 +ATOM 116 N N3 . U A 1 6 ? 78.671 16.256 14.404 1.00 48.47 ? 6 U A N3 1 +ATOM 117 C C4 . U A 1 6 ? 78.322 16.955 15.539 1.00 49.79 ? 6 U A C4 1 +ATOM 118 O O4 . U A 1 6 ? 78.350 16.388 16.631 1.00 51.51 ? 6 U A O4 1 +ATOM 119 C C5 . U A 1 6 ? 77.897 18.301 15.304 1.00 49.41 ? 6 U A C5 1 +ATOM 120 C C6 . U A 1 6 ? 77.848 18.773 14.054 1.00 48.76 ? 6 U A C6 1 +ATOM 121 P P . G A 1 7 ? 73.343 19.041 11.213 1.00 55.82 ? 7 G A P 1 +ATOM 122 O OP1 . G A 1 7 ? 72.240 19.349 10.265 1.00 55.74 ? 7 G A OP1 1 +ATOM 123 O OP2 . G A 1 7 ? 73.260 19.517 12.619 1.00 55.75 ? 7 G A OP2 1 +ATOM 124 O "O5'" . G A 1 7 ? 73.560 17.464 11.254 1.00 53.99 ? 7 G A "O5'" 1 +ATOM 125 C "C5'" . G A 1 7 ? 73.855 16.735 10.055 1.00 53.50 ? 7 G A "C5'" 1 +ATOM 126 C "C4'" . G A 1 7 ? 74.043 15.275 10.368 1.00 54.03 ? 7 G A "C4'" 1 +ATOM 127 O "O4'" . G A 1 7 ? 75.284 15.063 11.086 1.00 53.37 ? 7 G A "O4'" 1 +ATOM 128 C "C3'" . G A 1 7 ? 73.003 14.675 11.291 1.00 56.07 ? 7 G A "C3'" 1 +ATOM 129 O "O3'" . G A 1 7 ? 71.802 14.388 10.590 1.00 59.02 ? 7 G A "O3'" 1 +ATOM 130 C "C2'" . G A 1 7 ? 73.714 13.418 11.772 1.00 55.47 ? 7 G A "C2'" 1 +ATOM 131 O "O2'" . G A 1 7 ? 73.709 12.386 10.806 1.00 56.55 ? 7 G A "O2'" 1 +ATOM 132 C "C1'" . G A 1 7 ? 75.148 13.928 11.927 1.00 53.95 ? 7 G A "C1'" 1 +ATOM 133 N N9 . G A 1 7 ? 75.465 14.303 13.301 1.00 53.67 ? 7 G A N9 1 +ATOM 134 C C8 . G A 1 7 ? 75.306 15.533 13.897 1.00 53.90 ? 7 G A C8 1 +ATOM 135 N N7 . G A 1 7 ? 75.664 15.545 15.155 1.00 54.23 ? 7 G A N7 1 +ATOM 136 C C5 . G A 1 7 ? 76.089 14.243 15.404 1.00 54.13 ? 7 G A C5 1 +ATOM 137 C C6 . G A 1 7 ? 76.590 13.641 16.598 1.00 53.90 ? 7 G A C6 1 +ATOM 138 O O6 . G A 1 7 ? 76.762 14.156 17.712 1.00 53.44 ? 7 G A O6 1 +ATOM 139 N N1 . G A 1 7 ? 76.904 12.300 16.400 1.00 52.78 ? 7 G A N1 1 +ATOM 140 C C2 . G A 1 7 ? 76.757 11.621 15.218 1.00 52.15 ? 7 G A C2 1 +ATOM 141 N N2 . G A 1 7 ? 77.116 10.332 15.230 1.00 53.02 ? 7 G A N2 1 +ATOM 142 N N3 . G A 1 7 ? 76.292 12.162 14.105 1.00 52.02 ? 7 G A N3 1 +ATOM 143 C C4 . G A 1 7 ? 75.979 13.467 14.269 1.00 53.40 ? 7 G A C4 1 +ATOM 144 P P . A A 1 8 ? 70.378 14.654 11.293 1.00 60.00 ? 8 A A P 1 +ATOM 145 O OP1 . A A 1 8 ? 70.183 16.108 11.535 1.00 58.88 ? 8 A A OP1 1 +ATOM 146 O OP2 . A A 1 8 ? 70.260 13.701 12.421 1.00 59.39 ? 8 A A OP2 1 +ATOM 147 O "O5'" . A A 1 8 ? 69.343 14.224 10.165 1.00 62.74 ? 8 A A "O5'" 1 +ATOM 148 C "C5'" . A A 1 8 ? 69.169 12.843 9.808 1.00 66.25 ? 8 A A "C5'" 1 +ATOM 149 C "C4'" . A A 1 8 ? 67.821 12.653 9.168 1.00 68.09 ? 8 A A "C4'" 1 +ATOM 150 O "O4'" . A A 1 8 ? 67.818 13.379 7.923 1.00 69.33 ? 8 A A "O4'" 1 +ATOM 151 C "C3'" . A A 1 8 ? 67.489 11.239 8.721 1.00 69.22 ? 8 A A "C3'" 1 +ATOM 152 O "O3'" . A A 1 8 ? 66.861 10.481 9.766 1.00 68.13 ? 8 A A "O3'" 1 +ATOM 153 C "C2'" . A A 1 8 ? 66.409 11.485 7.663 1.00 71.33 ? 8 A A "C2'" 1 +ATOM 154 O "O2'" . A A 1 8 ? 65.128 11.573 8.250 1.00 73.92 ? 8 A A "O2'" 1 +ATOM 155 C "C1'" . A A 1 8 ? 66.772 12.877 7.129 1.00 71.62 ? 8 A A "C1'" 1 +ATOM 156 N N9 . A A 1 8 ? 67.120 12.999 5.712 1.00 73.06 ? 8 A A N9 1 +ATOM 157 C C8 . A A 1 8 ? 66.258 13.365 4.705 1.00 73.41 ? 8 A A C8 1 +ATOM 158 N N7 . A A 1 8 ? 66.815 13.417 3.521 1.00 73.94 ? 8 A A N7 1 +ATOM 159 C C5 . A A 1 8 ? 68.135 13.059 3.758 1.00 74.16 ? 8 A A C5 1 +ATOM 160 C C6 . A A 1 8 ? 69.244 12.925 2.902 1.00 74.00 ? 8 A A C6 1 +ATOM 161 N N6 . A A 1 8 ? 69.193 13.149 1.586 1.00 72.84 ? 8 A A N6 1 +ATOM 162 N N1 . A A 1 8 ? 70.420 12.549 3.452 1.00 74.36 ? 8 A A N1 1 +ATOM 163 C C2 . A A 1 8 ? 70.467 12.328 4.773 1.00 74.87 ? 8 A A C2 1 +ATOM 164 N N3 . A A 1 8 ? 69.494 12.420 5.683 1.00 74.82 ? 8 A A N3 1 +ATOM 165 C C4 . A A 1 8 ? 68.338 12.795 5.104 1.00 74.22 ? 8 A A C4 1 +ATOM 166 P P . G A 1 9 ? 67.581 10.283 11.198 1.00 68.25 ? 9 G A P 1 +ATOM 167 O OP1 . G A 1 9 ? 66.786 9.293 11.959 1.00 68.73 ? 9 G A OP1 1 +ATOM 168 O OP2 . G A 1 9 ? 67.836 11.613 11.802 1.00 69.78 ? 9 G A OP2 1 +ATOM 169 O "O5'" . G A 1 9 ? 68.977 9.597 10.858 1.00 67.21 ? 9 G A "O5'" 1 +ATOM 170 C "C5'" . G A 1 9 ? 69.031 8.280 10.276 1.00 63.36 ? 9 G A "C5'" 1 +ATOM 171 C "C4'" . G A 1 9 ? 69.991 7.405 11.045 1.00 60.57 ? 9 G A "C4'" 1 +ATOM 172 O "O4'" . G A 1 9 ? 71.278 8.067 11.118 1.00 59.01 ? 9 G A "O4'" 1 +ATOM 173 C "C3'" . G A 1 9 ? 69.643 7.146 12.498 1.00 60.39 ? 9 G A "C3'" 1 +ATOM 174 O "O3'" . G A 1 9 ? 68.714 6.079 12.625 1.00 61.72 ? 9 G A "O3'" 1 +ATOM 175 C "C2'" . G A 1 9 ? 70.995 6.775 13.082 1.00 59.28 ? 9 G A "C2'" 1 +ATOM 176 O "O2'" . G A 1 9 ? 71.365 5.449 12.766 1.00 61.79 ? 9 G A "O2'" 1 +ATOM 177 C "C1'" . G A 1 9 ? 71.912 7.743 12.337 1.00 57.28 ? 9 G A "C1'" 1 +ATOM 178 N N9 . G A 1 9 ? 72.118 8.976 13.080 1.00 54.48 ? 9 G A N9 1 +ATOM 179 C C8 . G A 1 9 ? 71.571 10.207 12.818 1.00 54.87 ? 9 G A C8 1 +ATOM 180 N N7 . G A 1 9 ? 71.928 11.118 13.681 1.00 55.63 ? 9 G A N7 1 +ATOM 181 C C5 . G A 1 9 ? 72.764 10.444 14.561 1.00 55.46 ? 9 G A C5 1 +ATOM 182 C C6 . G A 1 9 ? 73.456 10.907 15.708 1.00 56.39 ? 9 G A C6 1 +ATOM 183 O O6 . G A 1 9 ? 73.468 12.045 16.193 1.00 57.94 ? 9 G A O6 1 +ATOM 184 N N1 . G A 1 9 ? 74.192 9.888 16.307 1.00 55.23 ? 9 G A N1 1 +ATOM 185 C C2 . G A 1 9 ? 74.257 8.595 15.857 1.00 54.70 ? 9 G A C2 1 +ATOM 186 N N2 . G A 1 9 ? 75.024 7.758 16.564 1.00 54.89 ? 9 G A N2 1 +ATOM 187 N N3 . G A 1 9 ? 73.617 8.154 14.791 1.00 54.67 ? 9 G A N3 1 +ATOM 188 C C4 . G A 1 9 ? 72.894 9.125 14.197 1.00 54.34 ? 9 G A C4 1 +ATOM 189 P P . G A 1 10 ? 67.990 5.817 14.034 1.00 62.91 ? 10 G A P 1 +ATOM 190 O OP1 . G A 1 10 ? 67.270 4.524 13.931 1.00 63.39 ? 10 G A OP1 1 +ATOM 191 O OP2 . G A 1 10 ? 67.242 7.049 14.400 1.00 62.33 ? 10 G A OP2 1 +ATOM 192 O "O5'" . G A 1 10 ? 69.191 5.621 15.061 1.00 60.48 ? 10 G A "O5'" 1 +ATOM 193 C "C5'" . G A 1 10 ? 69.829 4.343 15.211 1.00 57.52 ? 10 G A "C5'" 1 +ATOM 194 C "C4'" . G A 1 10 ? 70.426 4.215 16.593 1.00 56.68 ? 10 G A "C4'" 1 +ATOM 195 O "O4'" . G A 1 10 ? 71.495 5.178 16.763 1.00 55.34 ? 10 G A "O4'" 1 +ATOM 196 C "C3'" . G A 1 10 ? 69.487 4.508 17.750 1.00 56.65 ? 10 G A "C3'" 1 +ATOM 197 O "O3'" . G A 1 10 ? 68.676 3.382 18.055 1.00 58.39 ? 10 G A "O3'" 1 +ATOM 198 C "C2'" . G A 1 10 ? 70.458 4.831 18.875 1.00 55.75 ? 10 G A "C2'" 1 +ATOM 199 O "O2'" . G A 1 10 ? 71.024 3.670 19.443 1.00 57.14 ? 10 G A "O2'" 1 +ATOM 200 C "C1'" . G A 1 10 ? 71.545 5.595 18.117 1.00 54.93 ? 10 G A "C1'" 1 +ATOM 201 N N9 . G A 1 10 ? 71.371 7.043 18.156 1.00 54.00 ? 10 G A N9 1 +ATOM 202 C C8 . G A 1 10 ? 71.042 7.866 17.108 1.00 52.84 ? 10 G A C8 1 +ATOM 203 N N7 . G A 1 10 ? 70.973 9.123 17.449 1.00 52.91 ? 10 G A N7 1 +ATOM 204 C C5 . G A 1 10 ? 71.273 9.129 18.804 1.00 53.18 ? 10 G A C5 1 +ATOM 205 C C6 . G A 1 10 ? 71.354 10.210 19.727 1.00 54.10 ? 10 G A C6 1 +ATOM 206 O O6 . G A 1 10 ? 71.175 11.421 19.522 1.00 54.01 ? 10 G A O6 1 +ATOM 207 N N1 . G A 1 10 ? 71.680 9.765 21.004 1.00 53.95 ? 10 G A N1 1 +ATOM 208 C C2 . G A 1 10 ? 71.899 8.456 21.351 1.00 53.18 ? 10 G A C2 1 +ATOM 209 N N2 . G A 1 10 ? 72.193 8.226 22.639 1.00 53.15 ? 10 G A N2 1 +ATOM 210 N N3 . G A 1 10 ? 71.832 7.445 20.502 1.00 52.79 ? 10 G A N3 1 +ATOM 211 C C4 . G A 1 10 ? 71.516 7.852 19.256 1.00 53.00 ? 10 G A C4 1 +ATOM 212 P P . U A 1 11 ? 67.254 3.595 18.768 1.00 58.36 ? 11 U A P 1 +ATOM 213 O OP1 . U A 1 11 ? 66.672 2.248 18.979 1.00 60.20 ? 11 U A OP1 1 +ATOM 214 O OP2 . U A 1 11 ? 66.493 4.606 17.994 1.00 57.53 ? 11 U A OP2 1 +ATOM 215 O "O5'" . U A 1 11 ? 67.635 4.196 20.194 1.00 58.10 ? 11 U A "O5'" 1 +ATOM 216 C "C5'" . U A 1 11 ? 68.274 3.371 21.184 1.00 58.70 ? 11 U A "C5'" 1 +ATOM 217 C "C4'" . U A 1 11 ? 68.369 4.103 22.502 1.00 59.54 ? 11 U A "C4'" 1 +ATOM 218 O "O4'" . U A 1 11 ? 69.301 5.210 22.388 1.00 59.51 ? 11 U A "O4'" 1 +ATOM 219 C "C3'" . U A 1 11 ? 67.092 4.753 23.002 1.00 59.76 ? 11 U A "C3'" 1 +ATOM 220 O "O3'" . U A 1 11 ? 66.231 3.819 23.639 1.00 61.88 ? 11 U A "O3'" 1 +ATOM 221 C "C2'" . U A 1 11 ? 67.627 5.795 23.975 1.00 58.90 ? 11 U A "C2'" 1 +ATOM 222 O "O2'" . U A 1 11 ? 67.982 5.236 25.221 1.00 58.01 ? 11 U A "O2'" 1 +ATOM 223 C "C1'" . U A 1 11 ? 68.890 6.263 23.246 1.00 58.02 ? 11 U A "C1'" 1 +ATOM 224 N N1 . U A 1 11 ? 68.675 7.467 22.431 1.00 55.95 ? 11 U A N1 1 +ATOM 225 C C2 . U A 1 11 ? 68.699 8.684 23.080 1.00 55.31 ? 11 U A C2 1 +ATOM 226 O O2 . U A 1 11 ? 68.883 8.788 24.283 1.00 56.71 ? 11 U A O2 1 +ATOM 227 N N3 . U A 1 11 ? 68.496 9.774 22.275 1.00 53.27 ? 11 U A N3 1 +ATOM 228 C C4 . U A 1 11 ? 68.270 9.768 20.921 1.00 52.93 ? 11 U A C4 1 +ATOM 229 O O4 . U A 1 11 ? 68.107 10.838 20.333 1.00 52.64 ? 11 U A O4 1 +ATOM 230 C C5 . U A 1 11 ? 68.256 8.468 20.321 1.00 52.68 ? 11 U A C5 1 +ATOM 231 C C6 . U A 1 11 ? 68.457 7.390 21.078 1.00 53.84 ? 11 U A C6 1 +ATOM 232 P P . G A 1 12 ? 64.650 4.102 23.691 1.00 62.90 ? 12 G A P 1 +ATOM 233 O OP1 . G A 1 12 ? 64.011 2.890 24.253 1.00 63.97 ? 12 G A OP1 1 +ATOM 234 O OP2 . G A 1 12 ? 64.216 4.609 22.362 1.00 61.68 ? 12 G A OP2 1 +ATOM 235 O "O5'" . G A 1 12 ? 64.519 5.292 24.745 1.00 62.85 ? 12 G A "O5'" 1 +ATOM 236 C "C5'" . G A 1 12 ? 64.934 5.107 26.112 1.00 61.61 ? 12 G A "C5'" 1 +ATOM 237 C "C4'" . G A 1 12 ? 64.979 6.432 26.843 1.00 60.81 ? 12 G A "C4'" 1 +ATOM 238 O "O4'" . G A 1 12 ? 65.980 7.299 26.240 1.00 59.55 ? 12 G A "O4'" 1 +ATOM 239 C "C3'" . G A 1 12 ? 63.728 7.291 26.802 1.00 60.79 ? 12 G A "C3'" 1 +ATOM 240 O "O3'" . G A 1 12 ? 62.701 6.857 27.681 1.00 62.89 ? 12 G A "O3'" 1 +ATOM 241 C "C2'" . G A 1 12 ? 64.282 8.651 27.202 1.00 59.48 ? 12 G A "C2'" 1 +ATOM 242 O "O2'" . G A 1 12 ? 64.529 8.760 28.591 1.00 58.81 ? 12 G A "O2'" 1 +ATOM 243 C "C1'" . G A 1 12 ? 65.607 8.658 26.438 1.00 57.91 ? 12 G A "C1'" 1 +ATOM 244 N N9 . G A 1 12 ? 65.445 9.301 25.138 1.00 54.61 ? 12 G A N9 1 +ATOM 245 C C8 . G A 1 12 ? 65.061 8.713 23.958 1.00 53.14 ? 12 G A C8 1 +ATOM 246 N N7 . G A 1 12 ? 64.958 9.564 22.974 1.00 53.05 ? 12 G A N7 1 +ATOM 247 C C5 . G A 1 12 ? 65.305 10.786 23.537 1.00 52.71 ? 12 G A C5 1 +ATOM 248 C C6 . G A 1 12 ? 65.368 12.084 22.960 1.00 52.07 ? 12 G A C6 1 +ATOM 249 O O6 . G A 1 12 ? 65.113 12.427 21.800 1.00 51.93 ? 12 G A O6 1 +ATOM 250 N N1 . G A 1 12 ? 65.768 13.037 23.888 1.00 51.90 ? 12 G A N1 1 +ATOM 251 C C2 . G A 1 12 ? 66.058 12.784 25.205 1.00 51.96 ? 12 G A C2 1 +ATOM 252 N N2 . G A 1 12 ? 66.410 13.844 25.948 1.00 51.06 ? 12 G A N2 1 +ATOM 253 N N3 . G A 1 12 ? 66.002 11.581 25.756 1.00 52.69 ? 12 G A N3 1 +ATOM 254 C C4 . G A 1 12 ? 65.619 10.637 24.869 1.00 53.13 ? 12 G A C4 1 +ATOM 255 P P . C A 1 13 ? 61.176 7.272 27.376 1.00 63.50 ? 13 C A P 1 +ATOM 256 O OP1 . C A 1 13 ? 60.292 6.481 28.271 1.00 65.04 ? 13 C A OP1 1 +ATOM 257 O OP2 . C A 1 13 ? 60.982 7.205 25.906 1.00 63.19 ? 13 C A OP2 1 +ATOM 258 O "O5'" . C A 1 13 ? 61.097 8.805 27.799 1.00 62.71 ? 13 C A "O5'" 1 +ATOM 259 C "C5'" . C A 1 13 ? 61.392 9.210 29.147 1.00 62.22 ? 13 C A "C5'" 1 +ATOM 260 C "C4'" . C A 1 13 ? 61.442 10.714 29.243 1.00 62.37 ? 13 C A "C4'" 1 +ATOM 261 O "O4'" . C A 1 13 ? 62.547 11.220 28.446 1.00 61.98 ? 13 C A "O4'" 1 +ATOM 262 C "C3'" . C A 1 13 ? 60.242 11.452 28.677 1.00 62.60 ? 13 C A "C3'" 1 +ATOM 263 O "O3'" . C A 1 13 ? 59.136 11.483 29.556 1.00 64.05 ? 13 C A "O3'" 1 +ATOM 264 C "C2'" . C A 1 13 ? 60.809 12.842 28.448 1.00 62.57 ? 13 C A "C2'" 1 +ATOM 265 O "O2'" . C A 1 13 ? 60.889 13.599 29.638 1.00 61.76 ? 13 C A "O2'" 1 +ATOM 266 C "C1'" . C A 1 13 ? 62.208 12.502 27.931 1.00 61.78 ? 13 C A "C1'" 1 +ATOM 267 N N1 . C A 1 13 ? 62.215 12.435 26.465 1.00 60.20 ? 13 C A N1 1 +ATOM 268 C C2 . C A 1 13 ? 62.331 13.623 25.745 1.00 59.83 ? 13 C A C2 1 +ATOM 269 O O2 . C A 1 13 ? 62.454 14.692 26.368 1.00 59.37 ? 13 C A O2 1 +ATOM 270 N N3 . C A 1 13 ? 62.306 13.580 24.394 1.00 59.36 ? 13 C A N3 1 +ATOM 271 C C4 . C A 1 13 ? 62.174 12.410 23.767 1.00 58.82 ? 13 C A C4 1 +ATOM 272 N N4 . C A 1 13 ? 62.151 12.415 22.437 1.00 58.76 ? 13 C A N4 1 +ATOM 273 C C5 . C A 1 13 ? 62.062 11.183 24.478 1.00 59.06 ? 13 C A C5 1 +ATOM 274 C C6 . C A 1 13 ? 62.092 11.240 25.812 1.00 59.48 ? 13 C A C6 1 +ATOM 275 P P . A A 1 14 ? 57.670 11.741 28.959 1.00 65.54 ? 14 A A P 1 +ATOM 276 O OP1 . A A 1 14 ? 56.686 11.701 30.078 1.00 66.70 ? 14 A A OP1 1 +ATOM 277 O OP2 . A A 1 14 ? 57.494 10.836 27.787 1.00 64.81 ? 14 A A OP2 1 +ATOM 278 O "O5'" . A A 1 14 ? 57.739 13.234 28.414 1.00 63.88 ? 14 A A "O5'" 1 +ATOM 279 C "C5'" . A A 1 14 ? 57.894 14.335 29.317 1.00 62.02 ? 14 A A "C5'" 1 +ATOM 280 C "C4'" . A A 1 14 ? 57.930 15.627 28.549 1.00 61.28 ? 14 A A "C4'" 1 +ATOM 281 O "O4'" . A A 1 14 ? 59.057 15.607 27.635 1.00 61.38 ? 14 A A "O4'" 1 +ATOM 282 C "C3'" . A A 1 14 ? 56.744 15.881 27.638 1.00 61.20 ? 14 A A "C3'" 1 +ATOM 283 O "O3'" . A A 1 14 ? 55.630 16.379 28.368 1.00 62.08 ? 14 A A "O3'" 1 +ATOM 284 C "C2'" . A A 1 14 ? 57.317 16.892 26.651 1.00 60.83 ? 14 A A "C2'" 1 +ATOM 285 O "O2'" . A A 1 14 ? 57.392 18.204 27.178 1.00 59.33 ? 14 A A "O2'" 1 +ATOM 286 C "C1'" . A A 1 14 ? 58.739 16.356 26.473 1.00 60.72 ? 14 A A "C1'" 1 +ATOM 287 N N9 . A A 1 14 ? 58.914 15.495 25.304 1.00 59.33 ? 14 A A N9 1 +ATOM 288 C C8 . A A 1 14 ? 58.896 14.125 25.238 1.00 58.94 ? 14 A A C8 1 +ATOM 289 N N7 . A A 1 14 ? 59.104 13.651 24.033 1.00 58.77 ? 14 A A N7 1 +ATOM 290 C C5 . A A 1 14 ? 59.266 14.788 23.253 1.00 59.08 ? 14 A A C5 1 +ATOM 291 C C6 . A A 1 14 ? 59.519 14.970 21.881 1.00 59.16 ? 14 A A C6 1 +ATOM 292 N N6 . A A 1 14 ? 59.656 13.964 21.014 1.00 60.80 ? 14 A A N6 1 +ATOM 293 N N1 . A A 1 14 ? 59.623 16.238 21.423 1.00 57.98 ? 14 A A N1 1 +ATOM 294 C C2 . A A 1 14 ? 59.479 17.244 22.289 1.00 57.74 ? 14 A A C2 1 +ATOM 295 N N3 . A A 1 14 ? 59.240 17.202 23.599 1.00 59.14 ? 14 A A N3 1 +ATOM 296 C C4 . A A 1 14 ? 59.145 15.929 24.023 1.00 59.22 ? 14 A A C4 1 +ATOM 297 P P . C A 1 15 ? 54.142 16.176 27.792 1.00 62.54 ? 15 C A P 1 +ATOM 298 O OP1 . C A 1 15 ? 53.184 16.609 28.842 1.00 62.27 ? 15 C A OP1 1 +ATOM 299 O OP2 . C A 1 15 ? 54.050 14.804 27.232 1.00 61.88 ? 15 C A OP2 1 +ATOM 300 O "O5'" . C A 1 15 ? 54.059 17.207 26.584 1.00 59.98 ? 15 C A "O5'" 1 +ATOM 301 C "C5'" . C A 1 15 ? 54.309 18.600 26.807 1.00 56.73 ? 15 C A "C5'" 1 +ATOM 302 C "C4'" . C A 1 15 ? 54.532 19.308 25.497 1.00 55.19 ? 15 C A "C4'" 1 +ATOM 303 O "O4'" . C A 1 15 ? 55.756 18.840 24.868 1.00 54.51 ? 15 C A "O4'" 1 +ATOM 304 C "C3'" . C A 1 15 ? 53.488 19.060 24.431 1.00 54.62 ? 15 C A "C3'" 1 +ATOM 305 O "O3'" . C A 1 15 ? 52.308 19.815 24.647 1.00 55.54 ? 15 C A "O3'" 1 +ATOM 306 C "C2'" . C A 1 15 ? 54.231 19.502 23.183 1.00 54.17 ? 15 C A "C2'" 1 +ATOM 307 O "O2'" . C A 1 15 ? 54.323 20.909 23.116 1.00 53.74 ? 15 C A "O2'" 1 +ATOM 308 C "C1'" . C A 1 15 ? 55.625 18.936 23.457 1.00 52.70 ? 15 C A "C1'" 1 +ATOM 309 N N1 . C A 1 15 ? 55.810 17.597 22.870 1.00 50.90 ? 15 C A N1 1 +ATOM 310 C C2 . C A 1 15 ? 56.035 17.492 21.490 1.00 50.42 ? 15 C A C2 1 +ATOM 311 O O2 . C A 1 15 ? 56.067 18.524 20.809 1.00 50.87 ? 15 C A O2 1 +ATOM 312 N N3 . C A 1 15 ? 56.206 16.274 20.938 1.00 49.90 ? 15 C A N3 1 +ATOM 313 C C4 . C A 1 15 ? 56.156 15.185 21.703 1.00 49.52 ? 15 C A C4 1 +ATOM 314 N N4 . C A 1 15 ? 56.331 14.001 21.112 1.00 49.65 ? 15 C A N4 1 +ATOM 315 C C5 . C A 1 15 ? 55.925 15.259 23.108 1.00 49.75 ? 15 C A C5 1 +ATOM 316 C C6 . C A 1 15 ? 55.762 16.474 23.645 1.00 50.42 ? 15 C A C6 1 +ATOM 317 P P . A A 1 16 ? 50.907 19.258 24.095 1.00 57.44 ? 16 A A P 1 +ATOM 318 O OP1 . A A 1 16 ? 49.801 20.089 24.645 1.00 57.30 ? 16 A A OP1 1 +ATOM 319 O OP2 . A A 1 16 ? 50.911 17.793 24.338 1.00 56.00 ? 16 A A OP2 1 +ATOM 320 O "O5'" . A A 1 16 ? 50.998 19.512 22.526 1.00 54.96 ? 16 A A "O5'" 1 +ATOM 321 C "C5'" . A A 1 16 ? 51.134 20.843 22.008 1.00 53.40 ? 16 A A "C5'" 1 +ATOM 322 C "C4'" . A A 1 16 ? 51.384 20.798 20.523 1.00 52.81 ? 16 A A "C4'" 1 +ATOM 323 O "O4'" . A A 1 16 ? 52.626 20.095 20.269 1.00 52.48 ? 16 A A "O4'" 1 +ATOM 324 C "C3'" . A A 1 16 ? 50.357 20.035 19.706 1.00 51.47 ? 16 A A "C3'" 1 +ATOM 325 O "O3'" . A A 1 16 ? 49.236 20.849 19.400 1.00 52.70 ? 16 A A "O3'" 1 +ATOM 326 C "C2'" . A A 1 16 ? 51.145 19.672 18.458 1.00 50.33 ? 16 A A "C2'" 1 +ATOM 327 O "O2'" . A A 1 16 ? 51.252 20.758 17.562 1.00 49.56 ? 16 A A "O2'" 1 +ATOM 328 C "C1'" . A A 1 16 ? 52.524 19.372 19.052 1.00 50.45 ? 16 A A "C1'" 1 +ATOM 329 N N9 . A A 1 16 ? 52.752 17.954 19.337 1.00 48.75 ? 16 A A N9 1 +ATOM 330 C C8 . A A 1 16 ? 52.622 17.291 20.533 1.00 46.97 ? 16 A A C8 1 +ATOM 331 N N7 . A A 1 16 ? 52.904 16.014 20.459 1.00 46.21 ? 16 A A N7 1 +ATOM 332 C C5 . A A 1 16 ? 53.244 15.823 19.124 1.00 47.22 ? 16 A A C5 1 +ATOM 333 C C6 . A A 1 16 ? 53.644 14.684 18.393 1.00 47.38 ? 16 A A C6 1 +ATOM 334 N N6 . A A 1 16 ? 53.791 13.468 18.929 1.00 48.42 ? 16 A A N6 1 +ATOM 335 N N1 . A A 1 16 ? 53.896 14.840 17.076 1.00 46.47 ? 16 A A N1 1 +ATOM 336 C C2 . A A 1 16 ? 53.762 16.053 16.539 1.00 45.73 ? 16 A A C2 1 +ATOM 337 N N3 . A A 1 16 ? 53.402 17.195 17.117 1.00 47.14 ? 16 A A N3 1 +ATOM 338 C C4 . A A 1 16 ? 53.152 17.009 18.424 1.00 47.19 ? 16 A A C4 1 +ATOM 339 P P . C A 1 17 ? 47.842 20.162 19.006 1.00 54.07 ? 17 C A P 1 +ATOM 340 O OP1 . C A 1 17 ? 46.890 21.247 18.660 1.00 55.00 ? 17 C A OP1 1 +ATOM 341 O OP2 . C A 1 17 ? 47.494 19.192 20.077 1.00 52.85 ? 17 C A OP2 1 +ATOM 342 O "O5'" . C A 1 17 ? 48.185 19.352 17.679 1.00 52.92 ? 17 C A "O5'" 1 +ATOM 343 C "C5'" . C A 1 17 ? 48.444 20.039 16.443 1.00 51.85 ? 17 C A "C5'" 1 +ATOM 344 C "C4'" . C A 1 17 ? 48.775 19.045 15.360 1.00 51.20 ? 17 C A "C4'" 1 +ATOM 345 O "O4'" . C A 1 17 ? 50.007 18.362 15.706 1.00 50.89 ? 17 C A "O4'" 1 +ATOM 346 C "C3'" . C A 1 17 ? 47.761 17.928 15.186 1.00 51.20 ? 17 C A "C3'" 1 +ATOM 347 O "O3'" . C A 1 17 ? 46.702 18.346 14.335 1.00 52.17 ? 17 C A "O3'" 1 +ATOM 348 C "C2'" . C A 1 17 ? 48.607 16.835 14.555 1.00 50.52 ? 17 C A "C2'" 1 +ATOM 349 O "O2'" . C A 1 17 ? 48.854 17.113 13.192 1.00 51.93 ? 17 C A "O2'" 1 +ATOM 350 C "C1'" . C A 1 17 ? 49.922 17.001 15.319 1.00 49.82 ? 17 C A "C1'" 1 +ATOM 351 N N1 . C A 1 17 ? 50.010 16.180 16.537 1.00 48.33 ? 17 C A N1 1 +ATOM 352 C C2 . C A 1 17 ? 50.359 14.836 16.421 1.00 47.05 ? 17 C A C2 1 +ATOM 353 O O2 . C A 1 17 ? 50.564 14.367 15.293 1.00 46.42 ? 17 C A O2 1 +ATOM 354 N N3 . C A 1 17 ? 50.460 14.083 17.539 1.00 46.16 ? 17 C A N3 1 +ATOM 355 C C4 . C A 1 17 ? 50.218 14.625 18.734 1.00 45.21 ? 17 C A C4 1 +ATOM 356 N N4 . C A 1 17 ? 50.335 13.847 19.812 1.00 44.40 ? 17 C A N4 1 +ATOM 357 C C5 . C A 1 17 ? 49.849 15.989 18.879 1.00 46.22 ? 17 C A C5 1 +ATOM 358 C C6 . C A 1 17 ? 49.759 16.724 17.765 1.00 47.61 ? 17 C A C6 1 +ATOM 359 P P . A A 1 18 ? 45.213 17.783 14.566 1.00 52.89 ? 18 A A P 1 +ATOM 360 O OP1 . A A 1 18 ? 44.301 18.609 13.735 1.00 52.76 ? 18 A A OP1 1 +ATOM 361 O OP2 . A A 1 18 ? 44.972 17.658 16.028 1.00 50.73 ? 18 A A OP2 1 +ATOM 362 O "O5'" . A A 1 18 ? 45.251 16.317 13.949 1.00 51.79 ? 18 A A "O5'" 1 +ATOM 363 C "C5'" . A A 1 18 ? 45.575 16.107 12.566 1.00 50.02 ? 18 A A "C5'" 1 +ATOM 364 C "C4'" . A A 1 18 ? 45.833 14.644 12.315 1.00 50.29 ? 18 A A "C4'" 1 +ATOM 365 O "O4'" . A A 1 18 ? 47.070 14.233 12.951 1.00 50.15 ? 18 A A "O4'" 1 +ATOM 366 C "C3'" . A A 1 18 ? 44.810 13.702 12.913 1.00 50.85 ? 18 A A "C3'" 1 +ATOM 367 O "O3'" . A A 1 18 ? 43.656 13.627 12.101 1.00 53.94 ? 18 A A "O3'" 1 +ATOM 368 C "C2'" . A A 1 18 ? 45.573 12.388 12.942 1.00 50.13 ? 18 A A "C2'" 1 +ATOM 369 O "O2'" . A A 1 18 ? 45.628 11.788 11.663 1.00 50.57 ? 18 A A "O2'" 1 +ATOM 370 C "C1'" . A A 1 18 ? 46.972 12.870 13.333 1.00 49.36 ? 18 A A "C1'" 1 +ATOM 371 N N9 . A A 1 18 ? 47.248 12.766 14.765 1.00 47.66 ? 18 A A N9 1 +ATOM 372 C C8 . A A 1 18 ? 47.243 13.772 15.698 1.00 47.61 ? 18 A A C8 1 +ATOM 373 N N7 . A A 1 18 ? 47.538 13.369 16.912 1.00 48.78 ? 18 A A N7 1 +ATOM 374 C C5 . A A 1 18 ? 47.753 12.004 16.768 1.00 47.00 ? 18 A A C5 1 +ATOM 375 C C6 . A A 1 18 ? 48.102 10.996 17.689 1.00 45.22 ? 18 A A C6 1 +ATOM 376 N N6 . A A 1 18 ? 48.304 11.217 18.987 1.00 43.72 ? 18 A A N6 1 +ATOM 377 N N1 . A A 1 18 ? 48.238 9.737 17.222 1.00 44.43 ? 18 A A N1 1 +ATOM 378 C C2 . A A 1 18 ? 48.031 9.514 15.918 1.00 45.55 ? 18 A A C2 1 +ATOM 379 N N3 . A A 1 18 ? 47.699 10.374 14.954 1.00 46.53 ? 18 A A N3 1 +ATOM 380 C C4 . A A 1 18 ? 47.575 11.618 15.450 1.00 47.26 ? 18 A A C4 1 +ATOM 381 P P . G A 1 19 ? 42.222 13.385 12.780 1.00 55.70 ? 19 G A P 1 +ATOM 382 O OP1 . G A 1 19 ? 41.197 13.651 11.734 1.00 56.19 ? 19 G A OP1 1 +ATOM 383 O OP2 . G A 1 19 ? 42.187 14.150 14.057 1.00 54.10 ? 19 G A OP2 1 +ATOM 384 O "O5'" . G A 1 19 ? 42.221 11.828 13.107 1.00 52.14 ? 19 G A "O5'" 1 +ATOM 385 C "C5'" . G A 1 19 ? 42.378 10.866 12.059 1.00 48.16 ? 19 G A "C5'" 1 +ATOM 386 C "C4'" . G A 1 19 ? 42.648 9.506 12.641 1.00 46.86 ? 19 G A "C4'" 1 +ATOM 387 O "O4'" . G A 1 19 ? 43.891 9.539 13.394 1.00 46.21 ? 19 G A "O4'" 1 +ATOM 388 C "C3'" . G A 1 19 ? 41.658 9.026 13.682 1.00 46.25 ? 19 G A "C3'" 1 +ATOM 389 O "O3'" . G A 1 19 ? 40.446 8.566 13.107 1.00 48.09 ? 19 G A "O3'" 1 +ATOM 390 C "C2'" . G A 1 19 ? 42.456 7.929 14.382 1.00 45.16 ? 19 G A "C2'" 1 +ATOM 391 O "O2'" . G A 1 19 ? 42.552 6.726 13.648 1.00 46.22 ? 19 G A "O2'" 1 +ATOM 392 C "C1'" . G A 1 19 ? 43.845 8.561 14.424 1.00 43.33 ? 19 G A "C1'" 1 +ATOM 393 N N9 . G A 1 19 ? 44.128 9.200 15.704 1.00 39.07 ? 19 G A N9 1 +ATOM 394 C C8 . G A 1 19 ? 44.007 10.529 16.025 1.00 37.90 ? 19 G A C8 1 +ATOM 395 N N7 . G A 1 19 ? 44.346 10.789 17.260 1.00 37.44 ? 19 G A N7 1 +ATOM 396 C C5 . G A 1 19 ? 44.715 9.555 17.781 1.00 37.18 ? 19 G A C5 1 +ATOM 397 C C6 . G A 1 19 ? 45.187 9.200 19.078 1.00 38.18 ? 19 G A C6 1 +ATOM 398 O O6 . G A 1 19 ? 45.402 9.933 20.058 1.00 38.55 ? 19 G A O6 1 +ATOM 399 N N1 . G A 1 19 ? 45.421 7.833 19.175 1.00 37.35 ? 19 G A N1 1 +ATOM 400 C C2 . G A 1 19 ? 45.240 6.926 18.164 1.00 37.01 ? 19 G A C2 1 +ATOM 401 N N2 . G A 1 19 ? 45.515 5.651 18.461 1.00 36.23 ? 19 G A N2 1 +ATOM 402 N N3 . G A 1 19 ? 44.820 7.244 16.954 1.00 37.39 ? 19 G A N3 1 +ATOM 403 C C4 . G A 1 19 ? 44.577 8.565 16.834 1.00 37.47 ? 19 G A C4 1 +ATOM 404 P P . C A 1 20 ? 39.088 8.644 13.964 1.00 49.67 ? 20 C A P 1 +ATOM 405 O OP1 . C A 1 20 ? 37.968 8.213 13.093 1.00 49.64 ? 20 C A OP1 1 +ATOM 406 O OP2 . C A 1 20 ? 39.047 9.984 14.614 1.00 48.55 ? 20 C A OP2 1 +ATOM 407 O "O5'" . C A 1 20 ? 39.288 7.534 15.089 1.00 48.17 ? 20 C A "O5'" 1 +ATOM 408 C "C5'" . C A 1 20 ? 39.560 6.172 14.721 1.00 47.22 ? 20 C A "C5'" 1 +ATOM 409 C "C4'" . C A 1 20 ? 40.056 5.388 15.911 1.00 46.47 ? 20 C A "C4'" 1 +ATOM 410 O "O4'" . C A 1 20 ? 41.293 5.962 16.404 1.00 45.05 ? 20 C A "O4'" 1 +ATOM 411 C "C3'" . C A 1 20 ? 39.158 5.390 17.132 1.00 46.51 ? 20 C A "C3'" 1 +ATOM 412 O "O3'" . C A 1 20 ? 38.079 4.475 17.003 1.00 47.22 ? 20 C A "O3'" 1 +ATOM 413 C "C2'" . C A 1 20 ? 40.129 4.993 18.234 1.00 45.66 ? 20 C A "C2'" 1 +ATOM 414 O "O2'" . C A 1 20 ? 40.403 3.606 18.245 1.00 46.41 ? 20 C A "O2'" 1 +ATOM 415 C "C1'" . C A 1 20 ? 41.385 5.749 17.803 1.00 44.30 ? 20 C A "C1'" 1 +ATOM 416 N N1 . C A 1 20 ? 41.518 7.050 18.461 1.00 42.71 ? 20 C A N1 1 +ATOM 417 C C2 . C A 1 20 ? 41.908 7.083 19.797 1.00 43.10 ? 20 C A C2 1 +ATOM 418 O O2 . C A 1 20 ? 42.105 6.007 20.385 1.00 42.75 ? 20 C A O2 1 +ATOM 419 N N3 . C A 1 20 ? 42.058 8.280 20.415 1.00 42.84 ? 20 C A N3 1 +ATOM 420 C C4 . C A 1 20 ? 41.825 9.411 19.741 1.00 43.05 ? 20 C A C4 1 +ATOM 421 N N4 . C A 1 20 ? 41.988 10.573 20.380 1.00 42.24 ? 20 C A N4 1 +ATOM 422 C C5 . C A 1 20 ? 41.415 9.402 18.379 1.00 43.32 ? 20 C A C5 1 +ATOM 423 C C6 . C A 1 20 ? 41.274 8.210 17.783 1.00 43.35 ? 20 C A C6 1 +ATOM 424 P P . A A 1 21 ? 36.681 4.803 17.717 1.00 48.83 ? 21 A A P 1 +ATOM 425 O OP1 . A A 1 21 ? 35.680 3.810 17.245 1.00 48.93 ? 21 A A OP1 1 +ATOM 426 O OP2 . A A 1 21 ? 36.424 6.264 17.539 1.00 46.24 ? 21 A A OP2 1 +ATOM 427 O "O5'" . A A 1 21 ? 36.963 4.508 19.256 1.00 46.86 ? 21 A A "O5'" 1 +ATOM 428 C "C5'" . A A 1 21 ? 37.207 3.164 19.707 1.00 46.50 ? 21 A A "C5'" 1 +ATOM 429 C "C4'" . A A 1 21 ? 37.553 3.157 21.176 1.00 47.00 ? 21 A A "C4'" 1 +ATOM 430 O "O4'" . A A 1 21 ? 38.779 3.905 21.384 1.00 46.53 ? 21 A A "O4'" 1 +ATOM 431 C "C3'" . A A 1 21 ? 36.557 3.847 22.088 1.00 48.04 ? 21 A A "C3'" 1 +ATOM 432 O "O3'" . A A 1 21 ? 35.440 3.015 22.378 1.00 48.97 ? 21 A A "O3'" 1 +ATOM 433 C "C2'" . A A 1 21 ? 37.415 4.167 23.307 1.00 47.55 ? 21 A A "C2'" 1 +ATOM 434 O "O2'" . A A 1 21 ? 37.652 3.048 24.141 1.00 49.35 ? 21 A A "O2'" 1 +ATOM 435 C "C1'" . A A 1 21 ? 38.729 4.569 22.639 1.00 45.99 ? 21 A A "C1'" 1 +ATOM 436 N N9 . A A 1 21 ? 38.822 6.006 22.397 1.00 44.96 ? 21 A A N9 1 +ATOM 437 C C8 . A A 1 21 ? 38.454 6.704 21.273 1.00 44.17 ? 21 A A C8 1 +ATOM 438 N N7 . A A 1 21 ? 38.659 7.996 21.362 1.00 44.85 ? 21 A A N7 1 +ATOM 439 C C5 . A A 1 21 ? 39.195 8.160 22.631 1.00 44.83 ? 21 A A C5 1 +ATOM 440 C C6 . A A 1 21 ? 39.618 9.296 23.336 1.00 45.25 ? 21 A A C6 1 +ATOM 441 N N6 . A A 1 21 ? 39.557 10.533 22.845 1.00 45.81 ? 21 A A N6 1 +ATOM 442 N N1 . A A 1 21 ? 40.110 9.118 24.580 1.00 45.60 ? 21 A A N1 1 +ATOM 443 C C2 . A A 1 21 ? 40.159 7.875 25.078 1.00 46.28 ? 21 A A C2 1 +ATOM 444 N N3 . A A 1 21 ? 39.782 6.725 24.515 1.00 46.08 ? 21 A A N3 1 +ATOM 445 C C4 . A A 1 21 ? 39.305 6.942 23.277 1.00 45.72 ? 21 A A C4 1 +ATOM 446 P P . A A 1 22 ? 34.010 3.684 22.702 1.00 50.18 ? 22 A A P 1 +ATOM 447 O OP1 . A A 1 22 ? 32.997 2.595 22.641 1.00 50.80 ? 22 A A OP1 1 +ATOM 448 O OP2 . A A 1 22 ? 33.844 4.893 21.846 1.00 47.58 ? 22 A A OP2 1 +ATOM 449 O "O5'" . A A 1 22 ? 34.152 4.160 24.217 1.00 47.91 ? 22 A A "O5'" 1 +ATOM 450 C "C5'" . A A 1 22 ? 34.382 3.199 25.261 1.00 46.67 ? 22 A A "C5'" 1 +ATOM 451 C "C4'" . A A 1 22 ? 34.682 3.897 26.561 1.00 46.37 ? 22 A A "C4'" 1 +ATOM 452 O "O4'" . A A 1 22 ? 35.944 4.600 26.455 1.00 45.39 ? 22 A A "O4'" 1 +ATOM 453 C "C3'" . A A 1 22 ? 33.700 4.978 26.972 1.00 46.91 ? 22 A A "C3'" 1 +ATOM 454 O "O3'" . A A 1 22 ? 32.534 4.438 27.580 1.00 47.45 ? 22 A A "O3'" 1 +ATOM 455 C "C2'" . A A 1 22 ? 34.541 5.811 27.932 1.00 45.58 ? 22 A A "C2'" 1 +ATOM 456 O "O2'" . A A 1 22 ? 34.709 5.199 29.196 1.00 44.39 ? 22 A A "O2'" 1 +ATOM 457 C "C1'" . A A 1 22 ? 35.890 5.795 27.217 1.00 43.92 ? 22 A A "C1'" 1 +ATOM 458 N N9 . A A 1 22 ? 36.053 6.922 26.301 1.00 42.03 ? 22 A A N9 1 +ATOM 459 C C8 . A A 1 22 ? 35.676 7.002 24.981 1.00 41.44 ? 22 A A C8 1 +ATOM 460 N N7 . A A 1 22 ? 35.985 8.142 24.413 1.00 41.22 ? 22 A A N7 1 +ATOM 461 C C5 . A A 1 22 ? 36.604 8.862 25.427 1.00 40.98 ? 22 A A C5 1 +ATOM 462 C C6 . A A 1 22 ? 37.170 10.142 25.463 1.00 41.30 ? 22 A A C6 1 +ATOM 463 N N6 . A A 1 22 ? 37.225 10.954 24.405 1.00 41.29 ? 22 A A N6 1 +ATOM 464 N N1 . A A 1 22 ? 37.690 10.567 26.634 1.00 41.07 ? 22 A A N1 1 +ATOM 465 C C2 . A A 1 22 ? 37.648 9.746 27.687 1.00 40.70 ? 22 A A C2 1 +ATOM 466 N N3 . A A 1 22 ? 37.153 8.515 27.776 1.00 40.71 ? 22 A A N3 1 +ATOM 467 C C4 . A A 1 22 ? 36.640 8.128 26.597 1.00 40.91 ? 22 A A C4 1 +ATOM 468 P P . G A 1 23 ? 31.169 5.283 27.562 1.00 49.14 ? 23 G A P 1 +ATOM 469 O OP1 . G A 1 23 ? 30.169 4.546 28.372 1.00 51.01 ? 23 G A OP1 1 +ATOM 470 O OP2 . G A 1 23 ? 30.863 5.636 26.151 1.00 48.24 ? 23 G A OP2 1 +ATOM 471 O "O5'" . G A 1 23 ? 31.527 6.619 28.345 1.00 47.94 ? 23 G A "O5'" 1 +ATOM 472 C "C5'" . G A 1 23 ? 31.706 6.601 29.765 1.00 46.79 ? 23 G A "C5'" 1 +ATOM 473 C "C4'" . G A 1 23 ? 31.910 8.001 30.280 1.00 46.42 ? 23 G A "C4'" 1 +ATOM 474 O "O4'" . G A 1 23 ? 33.155 8.532 29.766 1.00 44.86 ? 23 G A "O4'" 1 +ATOM 475 C "C3'" . G A 1 23 ? 30.882 9.021 29.829 1.00 46.06 ? 23 G A "C3'" 1 +ATOM 476 O "O3'" . G A 1 23 ? 29.610 8.900 30.475 1.00 47.95 ? 23 G A "O3'" 1 +ATOM 477 C "C2'" . G A 1 23 ? 31.626 10.327 30.056 1.00 44.78 ? 23 G A "C2'" 1 +ATOM 478 O "O2'" . G A 1 23 ? 31.656 10.705 31.417 1.00 43.85 ? 23 G A "O2'" 1 +ATOM 479 C "C1'" . G A 1 23 ? 33.039 9.937 29.619 1.00 43.43 ? 23 G A "C1'" 1 +ATOM 480 N N9 . G A 1 23 ? 33.329 10.286 28.232 1.00 41.47 ? 23 G A N9 1 +ATOM 481 C C8 . G A 1 23 ? 33.112 9.524 27.113 1.00 39.82 ? 23 G A C8 1 +ATOM 482 N N7 . G A 1 23 ? 33.478 10.122 26.011 1.00 40.65 ? 23 G A N7 1 +ATOM 483 C C5 . G A 1 23 ? 33.969 11.350 26.432 1.00 39.90 ? 23 G A C5 1 +ATOM 484 C C6 . G A 1 23 ? 34.514 12.429 25.690 1.00 39.90 ? 23 G A C6 1 +ATOM 485 O O6 . G A 1 23 ? 34.690 12.513 24.473 1.00 41.51 ? 23 G A O6 1 +ATOM 486 N N1 . G A 1 23 ? 34.877 13.486 26.513 1.00 39.58 ? 23 G A N1 1 +ATOM 487 C C2 . G A 1 23 ? 34.738 13.505 27.876 1.00 41.67 ? 23 G A C2 1 +ATOM 488 N N2 . G A 1 23 ? 35.128 14.626 28.506 1.00 41.40 ? 23 G A N2 1 +ATOM 489 N N3 . G A 1 23 ? 34.247 12.502 28.579 1.00 43.01 ? 23 G A N3 1 +ATOM 490 C C4 . G A 1 23 ? 33.882 11.466 27.798 1.00 41.00 ? 23 G A C4 1 +ATOM 491 O "O5'" . C B 1 1 ? 38.834 20.340 23.366 1.00 52.03 ? 1 C B "O5'" 1 +ATOM 492 C "C5'" . C B 1 1 ? 38.743 21.311 24.413 1.00 52.23 ? 1 C B "C5'" 1 +ATOM 493 C "C4'" . C B 1 1 ? 38.066 20.774 25.656 1.00 51.66 ? 1 C B "C4'" 1 +ATOM 494 O "O4'" . C B 1 1 ? 36.817 20.135 25.286 1.00 51.65 ? 1 C B "O4'" 1 +ATOM 495 C "C3'" . C B 1 1 ? 38.819 19.692 26.410 1.00 51.02 ? 1 C B "C3'" 1 +ATOM 496 O "O3'" . C B 1 1 ? 39.803 20.237 27.277 1.00 50.96 ? 1 C B "O3'" 1 +ATOM 497 C "C2'" . C B 1 1 ? 37.702 18.997 27.176 1.00 50.30 ? 1 C B "C2'" 1 +ATOM 498 O "O2'" . C B 1 1 ? 37.299 19.704 28.335 1.00 48.10 ? 1 C B "O2'" 1 +ATOM 499 C "C1'" . C B 1 1 ? 36.575 19.033 26.143 1.00 49.89 ? 1 C B "C1'" 1 +ATOM 500 N N1 . C B 1 1 ? 36.488 17.826 25.313 1.00 49.23 ? 1 C B N1 1 +ATOM 501 C C2 . C B 1 1 ? 35.874 16.688 25.840 1.00 49.74 ? 1 C B C2 1 +ATOM 502 O O2 . C B 1 1 ? 35.466 16.718 27.012 1.00 50.33 ? 1 C B O2 1 +ATOM 503 N N3 . C B 1 1 ? 35.742 15.588 25.064 1.00 48.75 ? 1 C B N3 1 +ATOM 504 C C4 . C B 1 1 ? 36.208 15.598 23.815 1.00 48.67 ? 1 C B C4 1 +ATOM 505 N N4 . C B 1 1 ? 36.041 14.501 23.074 1.00 48.97 ? 1 C B N4 1 +ATOM 506 C C5 . C B 1 1 ? 36.863 16.736 23.264 1.00 48.78 ? 1 C B C5 1 +ATOM 507 C C6 . C B 1 1 ? 36.981 17.817 24.041 1.00 48.11 ? 1 C B C6 1 +ATOM 508 P P . U B 1 2 ? 41.204 19.479 27.460 1.00 52.12 ? 2 U B P 1 +ATOM 509 O OP1 . U B 1 2 ? 42.125 20.388 28.187 1.00 52.66 ? 2 U B OP1 1 +ATOM 510 O OP2 . U B 1 2 ? 41.582 18.965 26.120 1.00 52.16 ? 2 U B OP2 1 +ATOM 511 O "O5'" . U B 1 2 ? 40.871 18.241 28.408 1.00 50.01 ? 2 U B "O5'" 1 +ATOM 512 C "C5'" . U B 1 2 ? 40.592 18.445 29.803 1.00 49.76 ? 2 U B "C5'" 1 +ATOM 513 C "C4'" . U B 1 2 ? 40.139 17.156 30.446 1.00 49.66 ? 2 U B "C4'" 1 +ATOM 514 O "O4'" . U B 1 2 ? 38.937 16.684 29.787 1.00 50.25 ? 2 U B "O4'" 1 +ATOM 515 C "C3'" . U B 1 2 ? 41.088 15.978 30.331 1.00 50.30 ? 2 U B "C3'" 1 +ATOM 516 O "O3'" . U B 1 2 ? 42.123 16.042 31.305 1.00 51.01 ? 2 U B "O3'" 1 +ATOM 517 C "C2'" . U B 1 2 ? 40.154 14.800 30.559 1.00 49.11 ? 2 U B "C2'" 1 +ATOM 518 O "O2'" . U B 1 2 ? 39.832 14.652 31.924 1.00 48.43 ? 2 U B "O2'" 1 +ATOM 519 C "C1'" . U B 1 2 ? 38.903 15.267 29.816 1.00 49.21 ? 2 U B "C1'" 1 +ATOM 520 N N1 . U B 1 2 ? 38.815 14.781 28.433 1.00 48.39 ? 2 U B N1 1 +ATOM 521 C C2 . U B 1 2 ? 38.542 13.438 28.239 1.00 48.38 ? 2 U B C2 1 +ATOM 522 O O2 . U B 1 2 ? 38.396 12.652 29.164 1.00 48.29 ? 2 U B O2 1 +ATOM 523 N N3 . U B 1 2 ? 38.448 13.050 26.924 1.00 47.38 ? 2 U B N3 1 +ATOM 524 C C4 . U B 1 2 ? 38.604 13.851 25.809 1.00 47.11 ? 2 U B C4 1 +ATOM 525 O O4 . U B 1 2 ? 38.480 13.358 24.686 1.00 46.88 ? 2 U B O4 1 +ATOM 526 C C5 . U B 1 2 ? 38.897 15.223 26.095 1.00 47.54 ? 2 U B C5 1 +ATOM 527 C C6 . U B 1 2 ? 38.990 15.630 27.366 1.00 47.62 ? 2 U B C6 1 +ATOM 528 P P . U B 1 3 ? 43.613 15.582 30.909 1.00 50.86 ? 3 U B P 1 +ATOM 529 O OP1 . U B 1 3 ? 44.523 15.999 32.009 1.00 47.49 ? 3 U B OP1 1 +ATOM 530 O OP2 . U B 1 3 ? 43.880 16.039 29.510 1.00 49.34 ? 3 U B OP2 1 +ATOM 531 O "O5'" . U B 1 3 ? 43.528 13.993 30.877 1.00 49.15 ? 3 U B "O5'" 1 +ATOM 532 C "C5'" . U B 1 3 ? 43.284 13.254 32.078 1.00 47.70 ? 3 U B "C5'" 1 +ATOM 533 C "C4'" . U B 1 3 ? 42.896 11.839 31.744 1.00 46.54 ? 3 U B "C4'" 1 +ATOM 534 O "O4'" . U B 1 3 ? 41.706 11.851 30.921 1.00 46.14 ? 3 U B "O4'" 1 +ATOM 535 C "C3'" . U B 1 3 ? 43.890 11.068 30.904 1.00 46.09 ? 3 U B "C3'" 1 +ATOM 536 O "O3'" . U B 1 3 ? 44.943 10.566 31.719 1.00 48.77 ? 3 U B "O3'" 1 +ATOM 537 C "C2'" . U B 1 3 ? 43.012 9.967 30.330 1.00 45.26 ? 3 U B "C2'" 1 +ATOM 538 O "O2'" . U B 1 3 ? 42.719 8.965 31.284 1.00 45.31 ? 3 U B "O2'" 1 +ATOM 539 C "C1'" . U B 1 3 ? 41.724 10.738 30.048 1.00 45.40 ? 3 U B "C1'" 1 +ATOM 540 N N1 . U B 1 3 ? 41.614 11.232 28.671 1.00 45.27 ? 3 U B N1 1 +ATOM 541 C C2 . U B 1 3 ? 41.206 10.336 27.698 1.00 46.01 ? 3 U B C2 1 +ATOM 542 O O2 . U B 1 3 ? 40.939 9.171 27.939 1.00 44.25 ? 3 U B O2 1 +ATOM 543 N N3 . U B 1 3 ? 41.127 10.856 26.429 1.00 48.13 ? 3 U B N3 1 +ATOM 544 C C4 . U B 1 3 ? 41.411 12.150 26.042 1.00 48.32 ? 3 U B C4 1 +ATOM 545 O O4 . U B 1 3 ? 41.352 12.450 24.850 1.00 50.46 ? 3 U B O4 1 +ATOM 546 C C5 . U B 1 3 ? 41.817 13.016 27.108 1.00 47.27 ? 3 U B C5 1 +ATOM 547 C C6 . U B 1 3 ? 41.904 12.538 28.356 1.00 45.74 ? 3 U B C6 1 +ATOM 548 P P . G B 1 4 ? 46.420 10.399 31.104 1.00 50.35 ? 4 G B P 1 +ATOM 549 O OP1 . G B 1 4 ? 47.297 10.027 32.243 1.00 50.11 ? 4 G B OP1 1 +ATOM 550 O OP2 . G B 1 4 ? 46.736 11.612 30.292 1.00 50.97 ? 4 G B OP2 1 +ATOM 551 O "O5'" . G B 1 4 ? 46.299 9.139 30.129 1.00 48.06 ? 4 G B "O5'" 1 +ATOM 552 C "C5'" . G B 1 4 ? 46.055 7.839 30.679 1.00 46.14 ? 4 G B "C5'" 1 +ATOM 553 C "C4'" . G B 1 4 ? 45.583 6.874 29.621 1.00 45.12 ? 4 G B "C4'" 1 +ATOM 554 O "O4'" . G B 1 4 ? 44.382 7.365 28.981 1.00 45.75 ? 4 G B "O4'" 1 +ATOM 555 C "C3'" . G B 1 4 ? 46.515 6.612 28.459 1.00 45.17 ? 4 G B "C3'" 1 +ATOM 556 O "O3'" . G B 1 4 ? 47.522 5.691 28.837 1.00 45.61 ? 4 G B "O3'" 1 +ATOM 557 C "C2'" . G B 1 4 ? 45.562 5.996 27.443 1.00 44.96 ? 4 G B "C2'" 1 +ATOM 558 O "O2'" . G B 1 4 ? 45.248 4.655 27.763 1.00 43.66 ? 4 G B "O2'" 1 +ATOM 559 C "C1'" . G B 1 4 ? 44.308 6.843 27.662 1.00 44.04 ? 4 G B "C1'" 1 +ATOM 560 N N9 . G B 1 4 ? 44.175 7.957 26.728 1.00 42.14 ? 4 G B N9 1 +ATOM 561 C C8 . G B 1 4 ? 44.453 9.277 26.970 1.00 41.52 ? 4 G B C8 1 +ATOM 562 N N7 . G B 1 4 ? 44.190 10.048 25.951 1.00 41.84 ? 4 G B N7 1 +ATOM 563 C C5 . G B 1 4 ? 43.719 9.182 24.975 1.00 40.95 ? 4 G B C5 1 +ATOM 564 C C6 . G B 1 4 ? 43.272 9.441 23.652 1.00 41.57 ? 4 G B C6 1 +ATOM 565 O O6 . G B 1 4 ? 43.181 10.532 23.065 1.00 42.86 ? 4 G B O6 1 +ATOM 566 N N1 . G B 1 4 ? 42.905 8.271 22.998 1.00 39.46 ? 4 G B N1 1 +ATOM 567 C C2 . G B 1 4 ? 42.956 7.016 23.546 1.00 39.78 ? 4 G B C2 1 +ATOM 568 N N2 . G B 1 4 ? 42.577 6.007 22.751 1.00 38.20 ? 4 G B N2 1 +ATOM 569 N N3 . G B 1 4 ? 43.354 6.764 24.782 1.00 40.16 ? 4 G B N3 1 +ATOM 570 C C4 . G B 1 4 ? 43.720 7.886 25.433 1.00 40.54 ? 4 G B C4 1 +ATOM 571 P P . C B 1 5 ? 48.863 5.584 27.969 1.00 46.15 ? 5 C B P 1 +ATOM 572 O OP1 . C B 1 5 ? 49.761 4.638 28.681 1.00 45.48 ? 5 C B OP1 1 +ATOM 573 O OP2 . C B 1 5 ? 49.324 6.970 27.689 1.00 45.80 ? 5 C B OP2 1 +ATOM 574 O "O5'" . C B 1 5 ? 48.379 4.910 26.608 1.00 44.95 ? 5 C B "O5'" 1 +ATOM 575 C "C5'" . C B 1 5 ? 47.904 3.553 26.604 1.00 44.43 ? 5 C B "C5'" 1 +ATOM 576 C "C4'" . C B 1 5 ? 47.428 3.161 25.228 1.00 43.54 ? 5 C B "C4'" 1 +ATOM 577 O "O4'" . C B 1 5 ? 46.302 3.996 24.851 1.00 42.16 ? 5 C B "O4'" 1 +ATOM 578 C "C3'" . C B 1 5 ? 48.406 3.374 24.089 1.00 43.76 ? 5 C B "C3'" 1 +ATOM 579 O "O3'" . C B 1 5 ? 49.390 2.360 23.992 1.00 45.87 ? 5 C B "O3'" 1 +ATOM 580 C "C2'" . C B 1 5 ? 47.480 3.385 22.885 1.00 42.10 ? 5 C B "C2'" 1 +ATOM 581 O "O2'" . C B 1 5 ? 47.058 2.090 22.510 1.00 41.06 ? 5 C B "O2'" 1 +ATOM 582 C "C1'" . C B 1 5 ? 46.300 4.180 23.444 1.00 39.84 ? 5 C B "C1'" 1 +ATOM 583 N N1 . C B 1 5 ? 46.430 5.615 23.162 1.00 37.49 ? 5 C B N1 1 +ATOM 584 C C2 . C B 1 5 ? 46.122 6.063 21.880 1.00 36.82 ? 5 C B C2 1 +ATOM 585 O O2 . C B 1 5 ? 45.774 5.229 21.025 1.00 36.91 ? 5 C B O2 1 +ATOM 586 N N3 . C B 1 5 ? 46.214 7.385 21.598 1.00 34.55 ? 5 C B N3 1 +ATOM 587 C C4 . C B 1 5 ? 46.597 8.243 22.542 1.00 32.73 ? 5 C B C4 1 +ATOM 588 N N4 . C B 1 5 ? 46.649 9.536 22.219 1.00 29.03 ? 5 C B N4 1 +ATOM 589 C C5 . C B 1 5 ? 46.937 7.810 23.859 1.00 33.66 ? 5 C B C5 1 +ATOM 590 C C6 . C B 1 5 ? 46.840 6.498 24.123 1.00 35.52 ? 5 C B C6 1 +ATOM 591 P P . U B 1 6 ? 50.830 2.719 23.368 1.00 49.94 ? 6 U B P 1 +ATOM 592 O OP1 . U B 1 6 ? 51.720 1.539 23.592 1.00 50.77 ? 6 U B OP1 1 +ATOM 593 O OP2 . U B 1 6 ? 51.245 4.064 23.874 1.00 47.97 ? 6 U B OP2 1 +ATOM 594 O "O5'" . U B 1 6 ? 50.549 2.868 21.806 1.00 45.96 ? 6 U B "O5'" 1 +ATOM 595 C "C5'" . U B 1 6 ? 50.087 1.752 21.031 1.00 41.94 ? 6 U B "C5'" 1 +ATOM 596 C "C4'" . U B 1 6 ? 49.871 2.176 19.599 1.00 41.10 ? 6 U B "C4'" 1 +ATOM 597 O "O4'" . U B 1 6 ? 48.782 3.132 19.534 1.00 40.07 ? 6 U B "O4'" 1 +ATOM 598 C "C3'" . U B 1 6 ? 51.033 2.914 18.961 1.00 40.73 ? 6 U B "C3'" 1 +ATOM 599 O "O3'" . U B 1 6 ? 52.050 2.030 18.507 1.00 41.36 ? 6 U B "O3'" 1 +ATOM 600 C "C2'" . U B 1 6 ? 50.346 3.678 17.836 1.00 39.62 ? 6 U B "C2'" 1 +ATOM 601 O "O2'" . U B 1 6 ? 50.028 2.883 16.710 1.00 39.80 ? 6 U B "O2'" 1 +ATOM 602 C "C1'" . U B 1 6 ? 49.046 4.089 18.521 1.00 37.47 ? 6 U B "C1'" 1 +ATOM 603 N N1 . U B 1 6 ? 49.129 5.410 19.153 1.00 35.44 ? 6 U B N1 1 +ATOM 604 C C2 . U B 1 6 ? 48.945 6.517 18.350 1.00 35.98 ? 6 U B C2 1 +ATOM 605 O O2 . U B 1 6 ? 48.764 6.440 17.148 1.00 36.95 ? 6 U B O2 1 +ATOM 606 N N3 . U B 1 6 ? 48.987 7.718 19.005 1.00 35.25 ? 6 U B N3 1 +ATOM 607 C C4 . U B 1 6 ? 49.196 7.919 20.351 1.00 36.40 ? 6 U B C4 1 +ATOM 608 O O4 . U B 1 6 ? 49.154 9.062 20.803 1.00 39.78 ? 6 U B O4 1 +ATOM 609 C C5 . U B 1 6 ? 49.405 6.725 21.108 1.00 36.40 ? 6 U B C5 1 +ATOM 610 C C6 . U B 1 6 ? 49.367 5.541 20.496 1.00 34.99 ? 6 U B C6 1 +ATOM 611 P P A G B 1 7 ? 53.560 2.565 18.355 0.50 39.94 ? 7 G B P 1 +ATOM 612 P P B G B 1 7 ? 54.450 3.465 19.176 0.50 45.45 ? 7 G B P 1 +ATOM 613 O OP1 A G B 1 7 ? 54.390 1.456 17.826 0.50 40.08 ? 7 G B OP1 1 +ATOM 614 O OP1 B G B 1 7 ? 54.535 2.008 18.909 0.50 45.61 ? 7 G B OP1 1 +ATOM 615 O OP2 A G B 1 7 ? 53.944 3.229 19.625 0.50 39.66 ? 7 G B OP2 1 +ATOM 616 O OP2 B G B 1 7 ? 53.864 3.942 20.451 0.50 45.14 ? 7 G B OP2 1 +ATOM 617 O "O5'" A G B 1 7 ? 53.450 3.684 17.228 0.50 41.34 ? 7 G B "O5'" 1 +ATOM 618 O "O5'" B G B 1 7 ? 53.652 4.143 17.976 0.50 45.56 ? 7 G B "O5'" 1 +ATOM 619 C "C5'" A G B 1 7 ? 53.183 3.321 15.864 0.50 43.74 ? 7 G B "C5'" 1 +ATOM 620 C "C5'" B G B 1 7 ? 53.620 3.529 16.674 0.50 46.06 ? 7 G B "C5'" 1 +ATOM 621 C "C4'" A G B 1 7 ? 53.305 4.528 14.965 0.50 45.80 ? 7 G B "C4'" 1 +ATOM 622 C "C4'" B G B 1 7 ? 53.789 4.574 15.598 0.50 46.62 ? 7 G B "C4'" 1 +ATOM 623 O "O4'" A G B 1 7 ? 52.183 5.428 15.160 0.50 46.11 ? 7 G B "O4'" 1 +ATOM 624 O "O4'" B G B 1 7 ? 52.626 5.443 15.554 0.50 46.36 ? 7 G B "O4'" 1 +ATOM 625 C "C3'" A G B 1 7 ? 54.521 5.402 15.201 0.50 46.46 ? 7 G B "C3'" 1 +ATOM 626 C "C3'" B G B 1 7 ? 54.957 5.522 15.800 0.50 46.40 ? 7 G B "C3'" 1 +ATOM 627 O "O3'" A G B 1 7 ? 55.683 4.847 14.595 0.50 47.70 ? 7 G B "O3'" 1 +ATOM 628 O "O3'" B G B 1 7 ? 56.179 4.933 15.363 0.50 47.19 ? 7 G B "O3'" 1 +ATOM 629 C "C2'" A G B 1 7 ? 54.092 6.718 14.565 0.50 46.30 ? 7 G B "C2'" 1 +ATOM 630 C "C2'" B G B 1 7 ? 54.540 6.721 14.956 0.50 46.05 ? 7 G B "C2'" 1 +ATOM 631 O "O2'" A G B 1 7 ? 54.217 6.702 13.159 0.50 46.41 ? 7 G B "O2'" 1 +ATOM 632 O "O2'" B G B 1 7 ? 54.767 6.514 13.576 0.50 45.72 ? 7 G B "O2'" 1 +ATOM 633 C "C1'" A G B 1 7 ? 52.607 6.763 14.935 0.50 46.48 ? 7 G B "C1'" 1 +ATOM 634 C "C1'" B G B 1 7 ? 53.030 6.759 15.214 0.50 46.11 ? 7 G B "C1'" 1 +ATOM 635 N N9 A G B 1 7 ? 52.327 7.540 16.138 0.50 47.15 ? 7 G B N9 1 +ATOM 636 N N9 B G B 1 7 ? 52.642 7.643 16.308 0.50 46.34 ? 7 G B N9 1 +ATOM 637 C C8 A G B 1 7 ? 52.348 7.094 17.436 0.50 47.57 ? 7 G B C8 1 +ATOM 638 C C8 B G B 1 7 ? 52.700 7.365 17.651 0.50 46.52 ? 7 G B C8 1 +ATOM 639 N N7 A G B 1 7 ? 52.038 8.021 18.301 0.50 47.90 ? 7 G B N7 1 +ATOM 640 N N7 B G B 1 7 ? 52.270 8.346 18.396 0.50 46.72 ? 7 G B N7 1 +ATOM 641 C C5 A G B 1 7 ? 51.801 9.149 17.526 0.50 48.51 ? 7 G B C5 1 +ATOM 642 C C5 B G B 1 7 ? 51.908 9.334 17.490 0.50 46.89 ? 7 G B C5 1 +ATOM 643 C C6 A G B 1 7 ? 51.422 10.467 17.905 0.50 49.24 ? 7 G B C6 1 +ATOM 644 C C6 B G B 1 7 ? 51.370 10.632 17.707 0.50 47.00 ? 7 G B C6 1 +ATOM 645 O O6 A G B 1 7 ? 51.212 10.916 19.042 0.50 50.78 ? 7 G B O6 1 +ATOM 646 O O6 B G B 1 7 ? 51.094 11.186 18.781 0.50 47.73 ? 7 G B O6 1 +ATOM 647 N N1 A G B 1 7 ? 51.291 11.297 16.799 0.50 48.75 ? 7 G B N1 1 +ATOM 648 N N1 B G B 1 7 ? 51.152 11.301 16.510 0.50 46.81 ? 7 G B N1 1 +ATOM 649 C C2 A G B 1 7 ? 51.497 10.918 15.500 0.50 48.85 ? 7 G B C2 1 +ATOM 650 C C2 B G B 1 7 ? 51.415 10.794 15.264 0.50 47.27 ? 7 G B C2 1 +ATOM 651 N N2 A G B 1 7 ? 51.319 11.870 14.573 0.50 49.30 ? 7 G B N2 1 +ATOM 652 N N2 B G B 1 7 ? 51.133 11.597 14.227 0.50 47.64 ? 7 G B N2 1 +ATOM 653 N N3 A G B 1 7 ? 51.850 9.697 15.132 0.50 48.51 ? 7 G B N3 1 +ATOM 654 N N3 B G B 1 7 ? 51.916 9.588 15.048 0.50 47.12 ? 7 G B N3 1 +ATOM 655 C C4 A G B 1 7 ? 51.981 8.870 16.190 0.50 47.87 ? 7 G B C4 1 +ATOM 656 C C4 B G B 1 7 ? 52.135 8.918 16.197 0.50 46.60 ? 7 G B C4 1 +ATOM 657 P P A A B 1 8 ? 57.101 5.579 14.772 0.50 47.54 ? 8 A B P 1 +ATOM 658 P P B A B 1 8 ? 57.548 5.259 16.140 0.50 46.52 ? 8 A B P 1 +ATOM 659 O OP1 A A B 1 8 ? 57.251 6.028 16.181 0.50 46.62 ? 8 A B OP1 1 +ATOM 660 O OP1 B A B 1 8 ? 57.459 4.730 17.523 0.50 46.40 ? 8 A B OP1 1 +ATOM 661 O OP2 A A B 1 8 ? 57.191 6.574 13.673 0.50 47.68 ? 8 A B OP2 1 +ATOM 662 O OP2 B A B 1 8 ? 57.827 6.698 15.921 0.50 45.94 ? 8 A B OP2 1 +ATOM 663 O "O5'" A A B 1 8 ? 58.172 4.434 14.486 0.50 49.34 ? 8 A B "O5'" 1 +ATOM 664 O "O5'" B A B 1 8 ? 58.639 4.402 15.357 0.50 48.78 ? 8 A B "O5'" 1 +ATOM 665 C "C5'" A A B 1 8 ? 59.503 4.535 15.021 0.50 51.56 ? 8 A B "C5'" 1 +ATOM 666 C "C5'" B A B 1 8 ? 60.048 4.526 15.649 0.50 50.97 ? 8 A B "C5'" 1 +ATOM 667 C "C4'" A A B 1 8 ? 60.508 4.723 13.909 0.50 52.47 ? 8 A B "C4'" 1 +ATOM 668 C "C4'" B A B 1 8 ? 60.851 4.235 14.405 0.50 52.00 ? 8 A B "C4'" 1 +ATOM 669 O "O4'" A A B 1 8 ? 60.948 3.435 13.400 0.50 53.15 ? 8 A B "O4'" 1 +ATOM 670 O "O4'" B A B 1 8 ? 60.621 2.858 14.000 0.50 52.43 ? 8 A B "O4'" 1 +ATOM 671 C "C3'" A A B 1 8 ? 60.022 5.514 12.695 0.50 53.16 ? 8 A B "C3'" 1 +ATOM 672 C "C3'" B A B 1 8 ? 60.459 5.101 13.215 0.50 52.94 ? 8 A B "C3'" 1 +ATOM 673 O "O3'" A A B 1 8 ? 61.089 6.298 12.193 0.50 53.33 ? 8 A B "O3'" 1 +ATOM 674 O "O3'" B A B 1 8 ? 61.351 6.206 13.081 0.50 52.50 ? 8 A B "O3'" 1 +ATOM 675 C "C2'" A A B 1 8 ? 59.759 4.414 11.673 0.50 53.79 ? 8 A B "C2'" 1 +ATOM 676 C "C2'" B A B 1 8 ? 60.568 4.140 12.039 0.50 54.20 ? 8 A B "C2'" 1 +ATOM 677 O "O2'" A A B 1 8 ? 59.842 4.883 10.341 0.50 53.02 ? 8 A B "O2'" 1 +ATOM 678 O "O2'" B A B 1 8 ? 61.903 3.992 11.594 0.50 56.39 ? 8 A B "O2'" 1 +ATOM 679 C "C1'" A A B 1 8 ? 60.918 3.475 11.992 0.50 55.01 ? 8 A B "C1'" 1 +ATOM 680 C "C1'" B A B 1 8 ? 60.111 2.831 12.685 0.50 54.74 ? 8 A B "C1'" 1 +ATOM 681 N N9 A A B 1 8 ? 60.828 2.110 11.477 0.50 56.94 ? 8 A B N9 1 +ATOM 682 N N9 B A B 1 8 ? 58.661 2.672 12.788 0.50 56.47 ? 8 A B N9 1 +ATOM 683 C C8 A A B 1 8 ? 60.198 1.026 12.033 0.50 57.06 ? 8 A B C8 1 +ATOM 684 C C8 B A B 1 8 ? 57.663 3.421 12.216 0.50 57.15 ? 8 A B C8 1 +ATOM 685 N N7 A A B 1 8 ? 60.323 -0.074 11.331 0.50 57.38 ? 8 A B N7 1 +ATOM 686 N N7 B A B 1 8 ? 56.454 3.021 12.533 0.50 57.48 ? 8 A B N7 1 +ATOM 687 C C5 A A B 1 8 ? 61.080 0.312 10.234 0.50 57.77 ? 8 A B C5 1 +ATOM 688 C C5 B A B 1 8 ? 56.672 1.933 13.365 0.50 57.69 ? 8 A B C5 1 +ATOM 689 C C6 A A B 1 8 ? 61.554 -0.394 9.115 0.50 58.05 ? 8 A B C6 1 +ATOM 690 C C6 B A B 1 8 ? 55.795 1.070 14.042 0.50 58.47 ? 8 A B C6 1 +ATOM 691 N N6 A A B 1 8 ? 61.321 -1.692 8.906 0.50 58.42 ? 8 A B N6 1 +ATOM 692 N N6 B A B 1 8 ? 54.463 1.173 13.984 0.50 58.66 ? 8 A B N6 1 +ATOM 693 N N1 A A B 1 8 ? 62.284 0.287 8.204 0.50 58.20 ? 8 A B N1 1 +ATOM 694 N N1 B A B 1 8 ? 56.339 0.085 14.792 0.50 58.74 ? 8 A B N1 1 +ATOM 695 C C2 A A B 1 8 ? 62.516 1.589 8.414 0.50 57.87 ? 8 A B C2 1 +ATOM 696 C C2 B A B 1 8 ? 57.673 -0.014 14.850 0.50 57.77 ? 8 A B C2 1 +ATOM 697 N N3 A A B 1 8 ? 62.123 2.363 9.423 0.50 57.69 ? 8 A B N3 1 +ATOM 698 N N3 B A B 1 8 ? 58.599 0.736 14.262 0.50 57.21 ? 8 A B N3 1 +ATOM 699 C C4 A A B 1 8 ? 61.398 1.655 10.309 0.50 57.62 ? 8 A B C4 1 +ATOM 700 C C4 B A B 1 8 ? 58.026 1.704 13.526 0.50 57.13 ? 8 A B C4 1 +ATOM 701 P P A G B 1 9 ? 60.901 7.878 12.013 0.50 52.72 ? 9 G B P 1 +ATOM 702 P P B G B 1 9 ? 61.006 7.612 13.779 0.50 51.75 ? 9 G B P 1 +ATOM 703 O OP1 A G B 1 9 ? 61.596 8.281 10.765 0.50 53.24 ? 9 G B OP1 1 +ATOM 704 O OP1 B G B 1 9 ? 62.166 8.513 13.579 0.50 52.52 ? 9 G B OP1 1 +ATOM 705 O OP2 A G B 1 9 ? 61.281 8.505 13.303 0.50 54.10 ? 9 G B OP2 1 +ATOM 706 O OP2 B G B 1 9 ? 60.531 7.335 15.156 0.50 51.75 ? 9 G B OP2 1 +ATOM 707 O "O5'" A G B 1 9 ? 59.336 8.073 11.793 0.50 52.02 ? 9 G B "O5'" 1 +ATOM 708 O "O5'" B G B 1 9 ? 59.780 8.179 12.934 0.50 50.73 ? 9 G B "O5'" 1 +ATOM 709 C "C5'" A G B 1 9 ? 58.777 8.090 10.469 0.50 50.26 ? 9 G B "C5'" 1 +ATOM 710 C "C5'" B G B 1 9 ? 59.826 8.230 11.497 0.50 47.79 ? 9 G B "C5'" 1 +ATOM 711 C "C4'" A G B 1 9 ? 57.885 9.297 10.294 0.50 48.72 ? 9 G B "C4'" 1 +ATOM 712 C "C4'" B G B 1 9 ? 58.885 9.295 10.979 0.50 46.56 ? 9 G B "C4'" 1 +ATOM 713 O "O4'" A G B 1 9 ? 56.681 9.156 11.089 0.50 48.71 ? 9 G B "O4'" 1 +ATOM 714 O "O4'" B G B 1 9 ? 57.532 9.006 11.421 0.50 46.32 ? 9 G B "O4'" 1 +ATOM 715 C "C3'" A G B 1 9 ? 58.472 10.615 10.759 0.50 47.41 ? 9 G B "C3'" 1 +ATOM 716 C "C3'" B G B 1 9 ? 59.128 10.702 11.492 0.50 45.47 ? 9 G B "C3'" 1 +ATOM 717 O "O3'" A G B 1 9 ? 59.336 11.164 9.779 0.50 46.53 ? 9 G B "O3'" 1 +ATOM 718 O "O3'" B G B 1 9 ? 60.151 11.358 10.771 0.50 45.81 ? 9 G B "O3'" 1 +ATOM 719 C "C2'" A G B 1 9 ? 57.227 11.466 10.954 0.50 47.38 ? 9 G B "C2'" 1 +ATOM 720 C "C2'" B G B 1 9 ? 57.779 11.360 11.260 0.50 45.26 ? 9 G B "C2'" 1 +ATOM 721 O "O2'" A G B 1 9 ? 56.720 11.973 9.734 0.50 47.10 ? 9 G B "O2'" 1 +ATOM 722 O "O2'" B G B 1 9 ? 57.577 11.713 9.906 0.50 44.51 ? 9 G B "O2'" 1 +ATOM 723 C "C1'" A G B 1 9 ? 56.247 10.436 11.521 0.50 47.95 ? 9 G B "C1'" 1 +ATOM 724 C "C1'" B G B 1 9 ? 56.830 10.222 11.636 0.50 45.62 ? 9 G B "C1'" 1 +ATOM 725 N N9 A G B 1 9 ? 56.192 10.430 12.978 0.50 47.59 ? 9 G B N9 1 +ATOM 726 N N9 B G B 1 9 ? 56.432 10.278 13.038 0.50 45.37 ? 9 G B N9 1 +ATOM 727 C C8 A G B 1 9 ? 56.813 9.545 13.823 0.50 47.49 ? 9 G B C8 1 +ATOM 728 C C8 B G B 1 9 ? 56.751 9.379 14.025 0.50 45.44 ? 9 G B C8 1 +ATOM 729 N N7 A G B 1 9 ? 56.575 9.787 15.082 0.50 47.58 ? 9 G B N7 1 +ATOM 730 N N7 B G B 1 9 ? 56.257 9.699 15.188 0.50 45.69 ? 9 G B N7 1 +ATOM 731 C C5 A G B 1 9 ? 55.749 10.900 15.068 0.50 47.12 ? 9 G B C5 1 +ATOM 732 C C5 B G B 1 9 ? 55.569 10.880 14.956 0.50 45.02 ? 9 G B C5 1 +ATOM 733 C C6 A G B 1 9 ? 55.165 11.617 16.136 0.50 47.20 ? 9 G B C6 1 +ATOM 734 C C6 B G B 1 9 ? 54.831 11.697 15.843 0.50 45.00 ? 9 G B C6 1 +ATOM 735 O O6 A G B 1 9 ? 55.267 11.408 17.352 0.50 47.28 ? 9 G B O6 1 +ATOM 736 O O6 B G B 1 9 ? 54.632 11.534 17.054 0.50 45.27 ? 9 G B O6 1 +ATOM 737 N N1 A G B 1 9 ? 54.396 12.681 15.675 0.50 47.25 ? 9 G B N1 1 +ATOM 738 N N1 B G B 1 9 ? 54.295 12.803 15.193 0.50 44.96 ? 9 G B N1 1 +ATOM 739 C C2 A G B 1 9 ? 54.218 13.013 14.355 0.50 47.42 ? 9 G B C2 1 +ATOM 740 C C2 B G B 1 9 ? 54.454 13.089 13.860 0.50 45.13 ? 9 G B C2 1 +ATOM 741 N N2 A G B 1 9 ? 53.447 14.084 14.110 0.50 47.98 ? 9 G B N2 1 +ATOM 742 N N2 B G B 1 9 ? 53.867 14.214 13.420 0.50 45.55 ? 9 G B N2 1 +ATOM 743 N N3 A G B 1 9 ? 54.757 12.348 13.349 0.50 47.48 ? 9 G B N3 1 +ATOM 744 N N3 B G B 1 9 ? 55.138 12.332 13.021 0.50 45.18 ? 9 G B N3 1 +ATOM 745 C C4 A G B 1 9 ? 55.504 11.310 13.776 0.50 47.10 ? 9 G B C4 1 +ATOM 746 C C4 B G B 1 9 ? 55.665 11.251 13.634 0.50 44.91 ? 9 G B C4 1 +ATOM 747 P P . G B 1 10 ? 60.940 12.576 11.453 1.00 46.44 ? 10 G B P 1 +ATOM 748 O OP1 . G B 1 10 ? 61.488 12.056 12.729 1.00 46.43 ? 10 G B OP1 1 +ATOM 749 O OP2 . G B 1 10 ? 61.859 13.168 10.437 1.00 45.84 ? 10 G B OP2 1 +ATOM 750 O "O5'" . G B 1 10 ? 59.799 13.632 11.799 1.00 44.90 ? 10 G B "O5'" 1 +ATOM 751 C "C5'" . G B 1 10 ? 59.204 14.440 10.766 1.00 44.37 ? 10 G B "C5'" 1 +ATOM 752 C "C4'" . G B 1 10 ? 58.547 15.660 11.371 1.00 44.08 ? 10 G B "C4'" 1 +ATOM 753 O "O4'" . G B 1 10 ? 57.361 15.274 12.118 1.00 42.38 ? 10 G B "O4'" 1 +ATOM 754 C "C3'" . G B 1 10 ? 59.398 16.403 12.386 1.00 44.11 ? 10 G B "C3'" 1 +ATOM 755 O "O3'" . G B 1 10 ? 60.338 17.276 11.777 1.00 46.06 ? 10 G B "O3'" 1 +ATOM 756 C "C2'" . G B 1 10 ? 58.349 17.136 13.206 1.00 42.46 ? 10 G B "C2'" 1 +ATOM 757 O "O2'" . G B 1 10 ? 57.856 18.272 12.529 1.00 41.74 ? 10 G B "O2'" 1 +ATOM 758 C "C1'" . G B 1 10 ? 57.252 16.074 13.285 1.00 41.60 ? 10 G B "C1'" 1 +ATOM 759 N N9 . G B 1 10 ? 57.408 15.195 14.438 1.00 40.13 ? 10 G B N9 1 +ATOM 760 C C8 . G B 1 10 ? 57.737 13.859 14.416 1.00 40.23 ? 10 G B C8 1 +ATOM 761 N N7 . G B 1 10 ? 57.786 13.320 15.605 1.00 41.14 ? 10 G B N7 1 +ATOM 762 C C5 . G B 1 10 ? 57.472 14.364 16.468 1.00 40.46 ? 10 G B C5 1 +ATOM 763 C C6 . G B 1 10 ? 57.353 14.385 17.893 1.00 40.33 ? 10 G B C6 1 +ATOM 764 O O6 . G B 1 10 ? 57.502 13.449 18.700 1.00 40.77 ? 10 G B O6 1 +ATOM 765 N N1 . G B 1 10 ? 57.022 15.657 18.356 1.00 39.04 ? 10 G B N1 1 +ATOM 766 C C2 . G B 1 10 ? 56.835 16.764 17.560 1.00 37.44 ? 10 G B C2 1 +ATOM 767 N N2 . G B 1 10 ? 56.541 17.899 18.200 1.00 35.65 ? 10 G B N2 1 +ATOM 768 N N3 . G B 1 10 ? 56.932 16.757 16.238 1.00 37.00 ? 10 G B N3 1 +ATOM 769 C C4 . G B 1 10 ? 57.247 15.533 15.762 1.00 39.53 ? 10 G B C4 1 +ATOM 770 P P . U B 1 11 ? 61.660 17.694 12.586 1.00 47.70 ? 11 U B P 1 +ATOM 771 O OP1 . U B 1 11 ? 62.482 18.564 11.702 1.00 49.32 ? 11 U B OP1 1 +ATOM 772 O OP2 . U B 1 11 ? 62.256 16.457 13.164 1.00 45.92 ? 11 U B OP2 1 +ATOM 773 O "O5'" . U B 1 11 ? 61.101 18.572 13.793 1.00 48.36 ? 11 U B "O5'" 1 +ATOM 774 C "C5'" . U B 1 11 ? 60.555 19.893 13.575 1.00 49.71 ? 11 U B "C5'" 1 +ATOM 775 C "C4'" . U B 1 11 ? 60.368 20.596 14.898 1.00 49.98 ? 11 U B "C4'" 1 +ATOM 776 O "O4'" . U B 1 11 ? 59.362 19.891 15.677 1.00 51.05 ? 11 U B "O4'" 1 +ATOM 777 C "C3'" . U B 1 11 ? 61.596 20.562 15.787 1.00 51.40 ? 11 U B "C3'" 1 +ATOM 778 O "O3'" . U B 1 11 ? 62.526 21.582 15.477 1.00 52.59 ? 11 U B "O3'" 1 +ATOM 779 C "C2'" . U B 1 11 ? 60.996 20.722 17.170 1.00 51.61 ? 11 U B "C2'" 1 +ATOM 780 O "O2'" . U B 1 11 ? 60.613 22.061 17.403 1.00 53.02 ? 11 U B "O2'" 1 +ATOM 781 C "C1'" . U B 1 11 ? 59.749 19.849 17.043 1.00 51.28 ? 11 U B "C1'" 1 +ATOM 782 N N1 . U B 1 11 ? 60.003 18.444 17.398 1.00 51.44 ? 11 U B N1 1 +ATOM 783 C C2 . U B 1 11 ? 60.221 18.133 18.733 1.00 51.27 ? 11 U B C2 1 +ATOM 784 O O2 . U B 1 11 ? 60.231 18.972 19.616 1.00 52.46 ? 11 U B O2 1 +ATOM 785 N N3 . U B 1 11 ? 60.433 16.799 18.993 1.00 50.99 ? 11 U B N3 1 +ATOM 786 C C4 . U B 1 11 ? 60.457 15.766 18.073 1.00 51.93 ? 11 U B C4 1 +ATOM 787 O O4 . U B 1 11 ? 60.602 14.604 18.465 1.00 51.04 ? 11 U B O4 1 +ATOM 788 C C5 . U B 1 11 ? 60.243 16.172 16.716 1.00 52.35 ? 11 U B C5 1 +ATOM 789 C C6 . U B 1 11 ? 60.024 17.463 16.433 1.00 51.96 ? 11 U B C6 1 +ATOM 790 P P . G B 1 12 ? 64.054 21.413 15.939 1.00 53.73 ? 12 G B P 1 +ATOM 791 O OP1 . G B 1 12 ? 64.808 22.596 15.447 1.00 53.37 ? 12 G B OP1 1 +ATOM 792 O OP2 . G B 1 12 ? 64.494 20.043 15.559 1.00 52.69 ? 12 G B OP2 1 +ATOM 793 O "O5'" . G B 1 12 ? 63.991 21.457 17.531 1.00 53.37 ? 12 G B "O5'" 1 +ATOM 794 C "C5'" . G B 1 12 ? 63.635 22.667 18.218 1.00 55.42 ? 12 G B "C5'" 1 +ATOM 795 C "C4'" . G B 1 12 ? 63.617 22.437 19.709 1.00 56.84 ? 12 G B "C4'" 1 +ATOM 796 O "O4'" . G B 1 12 ? 62.606 21.449 20.034 1.00 56.99 ? 12 G B "O4'" 1 +ATOM 797 C "C3'" . G B 1 12 ? 64.885 21.857 20.310 1.00 57.44 ? 12 G B "C3'" 1 +ATOM 798 O "O3'" . G B 1 12 ? 65.880 22.842 20.537 1.00 56.96 ? 12 G B "O3'" 1 +ATOM 799 C "C2'" . G B 1 12 ? 64.369 21.269 21.615 1.00 57.73 ? 12 G B "C2'" 1 +ATOM 800 O "O2'" . G B 1 12 ? 64.158 22.254 22.606 1.00 58.82 ? 12 G B "O2'" 1 +ATOM 801 C "C1'" . G B 1 12 ? 63.020 20.705 21.170 1.00 57.00 ? 12 G B "C1'" 1 +ATOM 802 N N9 . G B 1 12 ? 63.109 19.299 20.795 1.00 56.59 ? 12 G B N9 1 +ATOM 803 C C8 . G B 1 12 ? 63.341 18.783 19.543 1.00 56.85 ? 12 G B C8 1 +ATOM 804 N N7 . G B 1 12 ? 63.362 17.477 19.523 1.00 57.47 ? 12 G B N7 1 +ATOM 805 C C5 . G B 1 12 ? 63.135 17.110 20.843 1.00 56.60 ? 12 G B C5 1 +ATOM 806 C C6 . G B 1 12 ? 63.050 15.824 21.438 1.00 56.32 ? 12 G B C6 1 +ATOM 807 O O6 . G B 1 12 ? 63.176 14.719 20.903 1.00 55.46 ? 12 G B O6 1 +ATOM 808 N N1 . G B 1 12 ? 62.797 15.910 22.803 1.00 56.37 ? 12 G B N1 1 +ATOM 809 C C2 . G B 1 12 ? 62.657 17.080 23.509 1.00 56.17 ? 12 G B C2 1 +ATOM 810 N N2 . G B 1 12 ? 62.416 16.952 24.819 1.00 56.30 ? 12 G B N2 1 +ATOM 811 N N3 . G B 1 12 ? 62.745 18.285 22.970 1.00 55.90 ? 12 G B N3 1 +ATOM 812 C C4 . G B 1 12 ? 62.980 18.224 21.641 1.00 56.57 ? 12 G B C4 1 +ATOM 813 P P . C B 1 13 ? 67.413 22.393 20.699 1.00 57.51 ? 13 C B P 1 +ATOM 814 O OP1 . C B 1 13 ? 68.228 23.622 20.897 1.00 57.15 ? 13 C B OP1 1 +ATOM 815 O OP2 . C B 1 13 ? 67.719 21.485 19.569 1.00 57.62 ? 13 C B OP2 1 +ATOM 816 O "O5'" . C B 1 13 ? 67.441 21.520 22.034 1.00 55.26 ? 13 C B "O5'" 1 +ATOM 817 C "C5'" . C B 1 13 ? 67.146 22.118 23.307 1.00 56.78 ? 13 C B "C5'" 1 +ATOM 818 C "C4'" . C B 1 13 ? 67.143 21.077 24.404 1.00 57.14 ? 13 C B "C4'" 1 +ATOM 819 O "O4'" . C B 1 13 ? 66.095 20.101 24.174 1.00 57.95 ? 13 C B "O4'" 1 +ATOM 820 C "C3'" . C B 1 13 ? 68.393 20.232 24.547 1.00 57.33 ? 13 C B "C3'" 1 +ATOM 821 O "O3'" . C B 1 13 ? 69.399 20.943 25.253 1.00 58.73 ? 13 C B "O3'" 1 +ATOM 822 C "C2'" . C B 1 13 ? 67.873 19.033 25.333 1.00 57.32 ? 13 C B "C2'" 1 +ATOM 823 O "O2'" . C B 1 13 ? 67.721 19.285 26.713 1.00 57.61 ? 13 C B "O2'" 1 +ATOM 824 C "C1'" . C B 1 13 ? 66.481 18.854 24.728 1.00 57.60 ? 13 C B "C1'" 1 +ATOM 825 N N1 . C B 1 13 ? 66.460 17.842 23.667 1.00 58.06 ? 13 C B N1 1 +ATOM 826 C C2 . C B 1 13 ? 66.139 16.526 24.004 1.00 57.92 ? 13 C B C2 1 +ATOM 827 O O2 . C B 1 13 ? 65.851 16.262 25.183 1.00 58.25 ? 13 C B O2 1 +ATOM 828 N N3 . C B 1 13 ? 66.149 15.577 23.041 1.00 57.20 ? 13 C B N3 1 +ATOM 829 C C4 . C B 1 13 ? 66.456 15.906 21.785 1.00 56.59 ? 13 C B C4 1 +ATOM 830 N N4 . C B 1 13 ? 66.472 14.939 20.875 1.00 56.60 ? 13 C B N4 1 +ATOM 831 C C5 . C B 1 13 ? 66.766 17.243 21.411 1.00 57.35 ? 13 C B C5 1 +ATOM 832 C C6 . C B 1 13 ? 66.757 18.171 22.375 1.00 58.24 ? 13 C B C6 1 +ATOM 833 P P . A B 1 14 ? 70.936 20.489 25.131 1.00 59.59 ? 14 A B P 1 +ATOM 834 O OP1 . A B 1 14 ? 71.746 21.454 25.917 1.00 59.79 ? 14 A B OP1 1 +ATOM 835 O OP2 . A B 1 14 ? 71.240 20.281 23.689 1.00 57.91 ? 14 A B OP2 1 +ATOM 836 O "O5'" . A B 1 14 ? 70.979 19.089 25.889 1.00 58.33 ? 14 A B "O5'" 1 +ATOM 837 C "C5'" . A B 1 14 ? 70.804 19.033 27.310 1.00 57.78 ? 14 A B "C5'" 1 +ATOM 838 C "C4'" . A B 1 14 ? 70.752 17.604 27.778 1.00 57.83 ? 14 A B "C4'" 1 +ATOM 839 O "O4'" . A B 1 14 ? 69.589 16.943 27.218 1.00 58.19 ? 14 A B "O4'" 1 +ATOM 840 C "C3'" . A B 1 14 ? 71.904 16.721 27.342 1.00 58.37 ? 14 A B "C3'" 1 +ATOM 841 O "O3'" . A B 1 14 ? 73.046 16.922 28.161 1.00 59.38 ? 14 A B "O3'" 1 +ATOM 842 C "C2'" . A B 1 14 ? 71.309 15.327 27.504 1.00 58.43 ? 14 A B "C2'" 1 +ATOM 843 O "O2'" . A B 1 14 ? 71.275 14.881 28.848 1.00 58.49 ? 14 A B "O2'" 1 +ATOM 844 C "C1'" . A B 1 14 ? 69.873 15.564 27.037 1.00 57.79 ? 14 A B "C1'" 1 +ATOM 845 N N9 . A B 1 14 ? 69.649 15.221 25.634 1.00 57.10 ? 14 A B N9 1 +ATOM 846 C C8 . A B 1 14 ? 69.575 16.059 24.548 1.00 56.84 ? 14 A B C8 1 +ATOM 847 N N7 . A B 1 14 ? 69.316 15.441 23.421 1.00 57.16 ? 14 A B N7 1 +ATOM 848 C C5 . A B 1 14 ? 69.223 14.103 23.788 1.00 56.76 ? 14 A B C5 1 +ATOM 849 C C6 . A B 1 14 ? 68.955 12.932 23.053 1.00 56.44 ? 14 A B C6 1 +ATOM 850 N N6 . A B 1 14 ? 68.703 12.920 21.743 1.00 56.71 ? 14 A B N6 1 +ATOM 851 N N1 . A B 1 14 ? 68.948 11.760 23.721 1.00 55.41 ? 14 A B N1 1 +ATOM 852 C C2 . A B 1 14 ? 69.185 11.772 25.038 1.00 56.21 ? 14 A B C2 1 +ATOM 853 N N3 . A B 1 14 ? 69.439 12.804 25.841 1.00 56.65 ? 14 A B N3 1 +ATOM 854 C C4 . A B 1 14 ? 69.443 13.954 25.146 1.00 56.69 ? 14 A B C4 1 +ATOM 855 P P . C B 1 15 ? 74.510 16.738 27.534 1.00 60.57 ? 15 C B P 1 +ATOM 856 O OP1 . C B 1 15 ? 75.488 17.243 28.529 1.00 60.93 ? 15 C B OP1 1 +ATOM 857 O OP2 . C B 1 15 ? 74.478 17.326 26.174 1.00 60.93 ? 15 C B OP2 1 +ATOM 858 O "O5'" . C B 1 15 ? 74.676 15.158 27.386 1.00 59.54 ? 15 C B "O5'" 1 +ATOM 859 C "C5'" . C B 1 15 ? 74.700 14.317 28.550 1.00 58.82 ? 15 C B "C5'" 1 +ATOM 860 C "C4'" . C B 1 15 ? 74.422 12.881 28.177 1.00 58.79 ? 15 C B "C4'" 1 +ATOM 861 O "O4'" . C B 1 15 ? 73.137 12.788 27.503 1.00 58.42 ? 15 C B "O4'" 1 +ATOM 862 C "C3'" . C B 1 15 ? 75.370 12.229 27.189 1.00 59.59 ? 15 C B "C3'" 1 +ATOM 863 O "O3'" . C B 1 15 ? 76.592 11.813 27.784 1.00 61.90 ? 15 C B "O3'" 1 +ATOM 864 C "C2'" . C B 1 15 ? 74.538 11.048 26.711 1.00 59.19 ? 15 C B "C2'" 1 +ATOM 865 O "O2'" . C B 1 15 ? 74.487 10.001 27.661 1.00 57.59 ? 15 C B "O2'" 1 +ATOM 866 C "C1'" . C B 1 15 ? 73.155 11.693 26.598 1.00 58.60 ? 15 C B "C1'" 1 +ATOM 867 N N1 . C B 1 15 ? 72.899 12.191 25.233 1.00 58.11 ? 15 C B N1 1 +ATOM 868 C C2 . C B 1 15 ? 72.456 11.284 24.263 1.00 56.76 ? 15 C B C2 1 +ATOM 869 O O2 . C B 1 15 ? 72.266 10.104 24.589 1.00 55.79 ? 15 C B O2 1 +ATOM 870 N N3 . C B 1 15 ? 72.246 11.715 22.998 1.00 56.64 ? 15 C B N3 1 +ATOM 871 C C4 . C B 1 15 ? 72.456 12.995 22.686 1.00 57.29 ? 15 C B C4 1 +ATOM 872 N N4 . C B 1 15 ? 72.242 13.373 21.421 1.00 56.45 ? 15 C B N4 1 +ATOM 873 C C5 . C B 1 15 ? 72.896 13.945 23.657 1.00 57.55 ? 15 C B C5 1 +ATOM 874 C C6 . C B 1 15 ? 73.101 13.504 24.907 1.00 58.26 ? 15 C B C6 1 +ATOM 875 P P . A B 1 16 ? 77.942 11.813 26.904 1.00 64.00 ? 16 A B P 1 +ATOM 876 O OP1 . A B 1 16 ? 79.091 11.653 27.833 1.00 63.91 ? 16 A B OP1 1 +ATOM 877 O OP2 . A B 1 16 ? 77.894 12.989 25.988 1.00 64.03 ? 16 A B OP2 1 +ATOM 878 O "O5'" . A B 1 16 ? 77.827 10.494 26.021 1.00 61.66 ? 16 A B "O5'" 1 +ATOM 879 C "C5'" . A B 1 16 ? 77.716 9.209 26.642 1.00 60.45 ? 16 A B "C5'" 1 +ATOM 880 C "C4'" . A B 1 16 ? 77.387 8.167 25.608 1.00 60.60 ? 16 A B "C4'" 1 +ATOM 881 O "O4'" . A B 1 16 ? 76.078 8.438 25.047 1.00 60.96 ? 16 A B "O4'" 1 +ATOM 882 C "C3'" . A B 1 16 ? 78.301 8.156 24.398 1.00 60.81 ? 16 A B "C3'" 1 +ATOM 883 O "O3'" . A B 1 16 ? 79.503 7.450 24.672 1.00 61.05 ? 16 A B "O3'" 1 +ATOM 884 C "C2'" . A B 1 16 ? 77.427 7.479 23.349 1.00 60.15 ? 16 A B "C2'" 1 +ATOM 885 O "O2'" . A B 1 16 ? 77.337 6.077 23.527 1.00 59.16 ? 16 A B "O2'" 1 +ATOM 886 C "C1'" . A B 1 16 ? 76.066 8.095 23.669 1.00 59.45 ? 16 A B "C1'" 1 +ATOM 887 N N9 . A B 1 16 ? 75.789 9.309 22.905 1.00 58.27 ? 16 A B N9 1 +ATOM 888 C C8 . A B 1 16 ? 75.797 10.608 23.357 1.00 58.10 ? 16 A B C8 1 +ATOM 889 N N7 . A B 1 16 ? 75.501 11.491 22.436 1.00 57.27 ? 16 A B N7 1 +ATOM 890 C C5 . A B 1 16 ? 75.287 10.724 21.299 1.00 57.54 ? 16 A B C5 1 +ATOM 891 C C6 . A B 1 16 ? 74.941 11.066 19.979 1.00 58.79 ? 16 A B C6 1 +ATOM 892 N N6 . A B 1 16 ? 74.752 12.324 19.565 1.00 57.88 ? 16 A B N6 1 +ATOM 893 N N1 . A B 1 16 ? 74.797 10.058 19.087 1.00 58.47 ? 16 A B N1 1 +ATOM 894 C C2 . A B 1 16 ? 74.995 8.798 19.505 1.00 57.26 ? 16 A B C2 1 +ATOM 895 N N3 . A B 1 16 ? 75.329 8.354 20.715 1.00 56.49 ? 16 A B N3 1 +ATOM 896 C C4 . A B 1 16 ? 75.460 9.378 21.575 1.00 57.11 ? 16 A B C4 1 +ATOM 897 P P . C B 1 17 ? 80.897 8.011 24.109 1.00 59.42 ? 17 C B P 1 +ATOM 898 O OP1 . C B 1 17 ? 81.981 7.242 24.762 1.00 61.85 ? 17 C B OP1 1 +ATOM 899 O OP2 . C B 1 17 ? 80.875 9.491 24.223 1.00 59.26 ? 17 C B OP2 1 +ATOM 900 O "O5'" . C B 1 17 ? 80.866 7.607 22.574 1.00 56.53 ? 17 C B "O5'" 1 +ATOM 901 C "C5'" . C B 1 17 ? 80.855 6.226 22.197 1.00 54.05 ? 17 C B "C5'" 1 +ATOM 902 C "C4'" . C B 1 17 ? 80.421 6.085 20.765 1.00 52.47 ? 17 C B "C4'" 1 +ATOM 903 O "O4'" . C B 1 17 ? 79.108 6.684 20.620 1.00 51.41 ? 17 C B "O4'" 1 +ATOM 904 C "C3'" . C B 1 17 ? 81.250 6.835 19.740 1.00 52.11 ? 17 C B "C3'" 1 +ATOM 905 O "O3'" . C B 1 17 ? 82.458 6.165 19.403 1.00 51.59 ? 17 C B "O3'" 1 +ATOM 906 C "C2'" . C B 1 17 ? 80.275 6.929 18.576 1.00 52.56 ? 17 C B "C2'" 1 +ATOM 907 O "O2'" . C B 1 17 ? 80.126 5.710 17.872 1.00 53.91 ? 17 C B "O2'" 1 +ATOM 908 C "C1'" . C B 1 17 ? 78.976 7.232 19.319 1.00 50.97 ? 17 C B "C1'" 1 +ATOM 909 N N1 . C B 1 17 ? 78.758 8.676 19.448 1.00 50.36 ? 17 C B N1 1 +ATOM 910 C C2 . C B 1 17 ? 78.210 9.361 18.370 1.00 50.71 ? 17 C B C2 1 +ATOM 911 O O2 . C B 1 17 ? 77.904 8.722 17.352 1.00 51.12 ? 17 C B O2 1 +ATOM 912 N N3 . C B 1 17 ? 78.027 10.698 18.459 1.00 50.07 ? 17 C B N3 1 +ATOM 913 C C4 . C B 1 17 ? 78.370 11.344 19.573 1.00 49.66 ? 17 C B C4 1 +ATOM 914 N N4 . C B 1 17 ? 78.183 12.663 19.611 1.00 48.50 ? 17 C B N4 1 +ATOM 915 C C5 . C B 1 17 ? 78.923 10.666 20.696 1.00 49.59 ? 17 C B C5 1 +ATOM 916 C C6 . C B 1 17 ? 79.096 9.342 20.592 1.00 50.33 ? 17 C B C6 1 +ATOM 917 P P . A B 1 18 ? 83.670 7.002 18.762 1.00 50.98 ? 18 A B P 1 +ATOM 918 O OP1 . A B 1 18 ? 84.819 6.086 18.595 1.00 53.22 ? 18 A B OP1 1 +ATOM 919 O OP2 . A B 1 18 ? 83.835 8.249 19.547 1.00 50.72 ? 18 A B OP2 1 +ATOM 920 O "O5'" . A B 1 18 ? 83.148 7.389 17.309 1.00 51.53 ? 18 A B "O5'" 1 +ATOM 921 C "C5'" . A B 1 18 ? 82.867 6.362 16.332 1.00 52.75 ? 18 A B "C5'" 1 +ATOM 922 C "C4'" . A B 1 18 ? 82.526 6.982 14.995 1.00 53.04 ? 18 A B "C4'" 1 +ATOM 923 O "O4'" . A B 1 18 ? 81.244 7.661 15.078 1.00 52.77 ? 18 A B "O4'" 1 +ATOM 924 C "C3'" . A B 1 18 ? 83.490 8.053 14.513 1.00 53.10 ? 18 A B "C3'" 1 +ATOM 925 O "O3'" . A B 1 18 ? 84.643 7.488 13.898 1.00 52.91 ? 18 A B "O3'" 1 +ATOM 926 C "C2'" . A B 1 18 ? 82.621 8.851 13.549 1.00 52.98 ? 18 A B "C2'" 1 +ATOM 927 O "O2'" . A B 1 18 ? 82.467 8.218 12.291 1.00 51.93 ? 18 A B "O2'" 1 +ATOM 928 C "C1'" . A B 1 18 ? 81.276 8.837 14.285 1.00 52.92 ? 18 A B "C1'" 1 +ATOM 929 N N9 . A B 1 18 ? 81.086 9.982 15.178 1.00 52.33 ? 18 A B N9 1 +ATOM 930 C C8 . A B 1 18 ? 81.396 10.052 16.512 1.00 52.59 ? 18 A B C8 1 +ATOM 931 N N7 . A B 1 18 ? 81.093 11.201 17.066 1.00 53.30 ? 18 A B N7 1 +ATOM 932 C C5 . A B 1 18 ? 80.547 11.940 16.026 1.00 52.11 ? 18 A B C5 1 +ATOM 933 C C6 . A B 1 18 ? 80.018 13.240 15.967 1.00 51.19 ? 18 A B C6 1 +ATOM 934 N N6 . A B 1 18 ? 79.940 14.057 17.019 1.00 50.98 ? 18 A B N6 1 +ATOM 935 N N1 . A B 1 18 ? 79.560 13.677 14.776 1.00 50.07 ? 18 A B N1 1 +ATOM 936 C C2 . A B 1 18 ? 79.626 12.854 13.726 1.00 50.85 ? 18 A B C2 1 +ATOM 937 N N3 . A B 1 18 ? 80.094 11.609 13.655 1.00 51.23 ? 18 A B N3 1 +ATOM 938 C C4 . A B 1 18 ? 80.545 11.205 14.854 1.00 52.01 ? 18 A B C4 1 +ATOM 939 P P . G B 1 19 ? 86.035 8.292 13.926 1.00 52.99 ? 19 G B P 1 +ATOM 940 O OP1 . G B 1 19 ? 87.067 7.434 13.290 1.00 52.89 ? 19 G B OP1 1 +ATOM 941 O OP2 . G B 1 19 ? 86.253 8.795 15.304 1.00 53.83 ? 19 G B OP2 1 +ATOM 942 O "O5'" . G B 1 19 ? 85.773 9.550 12.985 1.00 51.37 ? 19 G B "O5'" 1 +ATOM 943 C "C5'" . G B 1 19 ? 85.541 9.375 11.582 1.00 50.62 ? 19 G B "C5'" 1 +ATOM 944 C "C4'" . G B 1 19 ? 85.101 10.674 10.952 1.00 50.67 ? 19 G B "C4'" 1 +ATOM 945 O "O4'" . G B 1 19 ? 83.826 11.094 11.510 1.00 50.84 ? 19 G B "O4'" 1 +ATOM 946 C "C3'" . G B 1 19 ? 85.986 11.883 11.185 1.00 50.61 ? 19 G B "C3'" 1 +ATOM 947 O "O3'" . G B 1 19 ? 87.142 11.866 10.358 1.00 51.80 ? 19 G B "O3'" 1 +ATOM 948 C "C2'" . G B 1 19 ? 85.036 13.023 10.837 1.00 50.06 ? 19 G B "C2'" 1 +ATOM 949 O "O2'" . G B 1 19 ? 84.860 13.193 9.442 1.00 50.13 ? 19 G B "O2'" 1 +ATOM 950 C "C1'" . G B 1 19 ? 83.726 12.509 11.440 1.00 49.14 ? 19 G B "C1'" 1 +ATOM 951 N N9 . G B 1 19 ? 83.482 13.033 12.780 1.00 48.20 ? 19 G B N9 1 +ATOM 952 C C8 . G B 1 19 ? 83.602 12.367 13.975 1.00 47.86 ? 19 G B C8 1 +ATOM 953 N N7 . G B 1 19 ? 83.320 13.115 15.008 1.00 47.63 ? 19 G B N7 1 +ATOM 954 C C5 . G B 1 19 ? 82.992 14.349 14.460 1.00 46.53 ? 19 G B C5 1 +ATOM 955 C C6 . G B 1 19 ? 82.596 15.561 15.086 1.00 44.94 ? 19 G B C6 1 +ATOM 956 O O6 . G B 1 19 ? 82.462 15.800 16.289 1.00 44.43 ? 19 G B O6 1 +ATOM 957 N N1 . G B 1 19 ? 82.350 16.560 14.154 1.00 44.13 ? 19 G B N1 1 +ATOM 958 C C2 . G B 1 19 ? 82.471 16.419 12.796 1.00 45.96 ? 19 G B C2 1 +ATOM 959 N N2 . G B 1 19 ? 82.184 17.502 12.057 1.00 46.64 ? 19 G B N2 1 +ATOM 960 N N3 . G B 1 19 ? 82.844 15.300 12.201 1.00 47.13 ? 19 G B N3 1 +ATOM 961 C C4 . G B 1 19 ? 83.085 14.313 13.087 1.00 47.24 ? 19 G B C4 1 +ATOM 962 P P . C B 1 20 ? 88.550 12.379 10.945 1.00 51.26 ? 20 C B P 1 +ATOM 963 O OP1 . C B 1 20 ? 89.613 11.960 9.995 1.00 50.72 ? 20 C B OP1 1 +ATOM 964 O OP2 . C B 1 20 ? 88.621 11.948 12.363 1.00 50.21 ? 20 C B OP2 1 +ATOM 965 O "O5'" . C B 1 20 ? 88.429 13.967 10.908 1.00 50.53 ? 20 C B "O5'" 1 +ATOM 966 C "C5'" . C B 1 20 ? 88.389 14.667 9.657 1.00 51.77 ? 20 C B "C5'" 1 +ATOM 967 C "C4'" . C B 1 20 ? 87.945 16.092 9.869 1.00 52.17 ? 20 C B "C4'" 1 +ATOM 968 O "O4'" . C B 1 20 ? 86.629 16.091 10.478 1.00 53.06 ? 20 C B "O4'" 1 +ATOM 969 C "C3'" . C B 1 20 ? 88.766 16.912 10.843 1.00 52.42 ? 20 C B "C3'" 1 +ATOM 970 O "O3'" . C B 1 20 ? 89.955 17.424 10.271 1.00 53.64 ? 20 C B "O3'" 1 +ATOM 971 C "C2'" . C B 1 20 ? 87.791 18.014 11.220 1.00 52.24 ? 20 C B "C2'" 1 +ATOM 972 O "O2'" . C B 1 20 ? 87.641 18.996 10.215 1.00 51.54 ? 20 C B "O2'" 1 +ATOM 973 C "C1'" . C B 1 20 ? 86.496 17.217 11.334 1.00 52.47 ? 20 C B "C1'" 1 +ATOM 974 N N1 . C B 1 20 ? 86.302 16.733 12.705 1.00 53.13 ? 20 C B N1 1 +ATOM 975 C C2 . C B 1 20 ? 85.823 17.623 13.664 1.00 54.79 ? 20 C B C2 1 +ATOM 976 O O2 . C B 1 20 ? 85.551 18.784 13.320 1.00 55.90 ? 20 C B O2 1 +ATOM 977 N N3 . C B 1 20 ? 85.669 17.201 14.938 1.00 55.19 ? 20 C B N3 1 +ATOM 978 C C4 . C B 1 20 ? 85.972 15.945 15.263 1.00 54.59 ? 20 C B C4 1 +ATOM 979 N N4 . C B 1 20 ? 85.819 15.578 16.535 1.00 55.62 ? 20 C B N4 1 +ATOM 980 C C5 . C B 1 20 ? 86.449 15.011 14.301 1.00 53.36 ? 20 C B C5 1 +ATOM 981 C C6 . C B 1 20 ? 86.595 15.443 13.045 1.00 52.93 ? 20 C B C6 1 +ATOM 982 P P . A B 1 21 ? 91.197 17.766 11.226 1.00 54.30 ? 21 A B P 1 +ATOM 983 O OP1 . A B 1 21 ? 92.361 18.137 10.382 1.00 55.09 ? 21 A B OP1 1 +ATOM 984 O OP2 . A B 1 21 ? 91.316 16.647 12.198 1.00 54.45 ? 21 A B OP2 1 +ATOM 985 O "O5'" . A B 1 21 ? 90.723 19.068 12.007 1.00 54.05 ? 21 A B "O5'" 1 +ATOM 986 C "C5'" . A B 1 21 ? 90.379 20.253 11.285 1.00 55.20 ? 21 A B "C5'" 1 +ATOM 987 C "C4'" . A B 1 21 ? 89.899 21.314 12.234 1.00 56.05 ? 21 A B "C4'" 1 +ATOM 988 O "O4'" . A B 1 21 ? 88.652 20.897 12.836 1.00 55.96 ? 21 A B "O4'" 1 +ATOM 989 C "C3'" . A B 1 21 ? 90.807 21.577 13.419 1.00 56.76 ? 21 A B "C3'" 1 +ATOM 990 O "O3'" . A B 1 21 ? 91.882 22.436 13.053 1.00 58.57 ? 21 A B "O3'" 1 +ATOM 991 C "C2'" . A B 1 21 ? 89.844 22.211 14.414 1.00 56.09 ? 21 A B "C2'" 1 +ATOM 992 O "O2'" . A B 1 21 ? 89.569 23.564 14.116 1.00 57.28 ? 21 A B "O2'" 1 +ATOM 993 C "C1'" . A B 1 21 ? 88.576 21.393 14.159 1.00 54.66 ? 21 A B "C1'" 1 +ATOM 994 N N9 . A B 1 21 ? 88.422 20.256 15.060 1.00 52.70 ? 21 A B N9 1 +ATOM 995 C C8 . A B 1 21 ? 88.622 18.927 14.785 1.00 52.05 ? 21 A B C8 1 +ATOM 996 N N7 . A B 1 21 ? 88.405 18.137 15.808 1.00 52.06 ? 21 A B N7 1 +ATOM 997 C C5 . A B 1 21 ? 88.038 19.006 16.826 1.00 51.27 ? 21 A B C5 1 +ATOM 998 C C6 . A B 1 21 ? 87.685 18.795 18.165 1.00 51.24 ? 21 A B C6 1 +ATOM 999 N N6 . A B 1 21 ? 87.642 17.589 18.738 1.00 49.94 ? 21 A B N6 1 +ATOM 1000 N N1 . A B 1 21 ? 87.374 19.879 18.910 1.00 52.00 ? 21 A B N1 1 +ATOM 1001 C C2 . A B 1 21 ? 87.419 21.086 18.336 1.00 52.08 ? 21 A B C2 1 +ATOM 1002 N N3 . A B 1 21 ? 87.738 21.412 17.089 1.00 51.20 ? 21 A B N3 1 +ATOM 1003 C C4 . A B 1 21 ? 88.041 20.314 16.377 1.00 51.53 ? 21 A B C4 1 +ATOM 1004 P P . A B 1 22 ? 93.316 22.259 13.755 1.00 60.46 ? 22 A B P 1 +ATOM 1005 O OP1 . A B 1 22 ? 94.291 23.097 13.005 1.00 60.30 ? 22 A B OP1 1 +ATOM 1006 O OP2 . A B 1 22 ? 93.576 20.804 13.924 1.00 59.88 ? 22 A B OP2 1 +ATOM 1007 O "O5'" . A B 1 22 ? 93.100 22.900 15.196 1.00 60.23 ? 22 A B "O5'" 1 +ATOM 1008 C "C5'" . A B 1 22 ? 92.766 24.291 15.324 1.00 60.55 ? 22 A B "C5'" 1 +ATOM 1009 C "C4'" . A B 1 22 ? 92.291 24.592 16.720 1.00 60.46 ? 22 A B "C4'" 1 +ATOM 1010 O "O4'" . A B 1 22 ? 91.096 23.817 16.993 1.00 60.53 ? 22 A B "O4'" 1 +ATOM 1011 C "C3'" . A B 1 22 ? 93.225 24.183 17.842 1.00 60.97 ? 22 A B "C3'" 1 +ATOM 1012 O "O3'" . A B 1 22 ? 94.300 25.092 18.038 1.00 62.06 ? 22 A B "O3'" 1 +ATOM 1013 C "C2'" . A B 1 22 ? 92.272 24.135 19.026 1.00 60.88 ? 22 A B "C2'" 1 +ATOM 1014 O "O2'" . A B 1 22 ? 91.926 25.420 19.500 1.00 61.02 ? 22 A B "O2'" 1 +ATOM 1015 C "C1'" . A B 1 22 ? 91.043 23.501 18.377 1.00 59.71 ? 22 A B "C1'" 1 +ATOM 1016 N N9 . A B 1 22 ? 91.045 22.047 18.530 1.00 57.33 ? 22 A B N9 1 +ATOM 1017 C C8 . A B 1 22 ? 91.510 21.098 17.657 1.00 56.22 ? 22 A B C8 1 +ATOM 1018 N N7 . A B 1 22 ? 91.387 19.869 18.099 1.00 55.68 ? 22 A B N7 1 +ATOM 1019 C C5 . A B 1 22 ? 90.796 20.020 19.344 1.00 55.24 ? 22 A B C5 1 +ATOM 1020 C C6 . A B 1 22 ? 90.407 19.095 20.324 1.00 54.92 ? 22 A B C6 1 +ATOM 1021 N N6 . A B 1 22 ? 90.563 17.775 20.205 1.00 53.69 ? 22 A B N6 1 +ATOM 1022 N N1 . A B 1 22 ? 89.844 19.577 21.452 1.00 54.28 ? 22 A B N1 1 +ATOM 1023 C C2 . A B 1 22 ? 89.690 20.898 21.577 1.00 54.36 ? 22 A B C2 1 +ATOM 1024 N N3 . A B 1 22 ? 90.019 21.867 20.731 1.00 54.85 ? 22 A B N3 1 +ATOM 1025 C C4 . A B 1 22 ? 90.575 21.355 19.620 1.00 55.52 ? 22 A B C4 1 +ATOM 1026 P P . G B 1 23 ? 95.663 24.566 18.713 1.00 63.36 ? 23 G B P 1 +ATOM 1027 O OP1 . G B 1 23 ? 96.615 25.704 18.780 1.00 62.35 ? 23 G B OP1 1 +ATOM 1028 O OP2 . G B 1 23 ? 96.062 23.313 18.018 1.00 62.35 ? 23 G B OP2 1 +ATOM 1029 O "O5'" . G B 1 23 ? 95.239 24.167 20.200 1.00 61.22 ? 23 G B "O5'" 1 +ATOM 1030 C "C5'" . G B 1 23 ? 94.765 25.163 21.127 1.00 58.84 ? 23 G B "C5'" 1 +ATOM 1031 C "C4'" . G B 1 23 ? 94.473 24.541 22.478 1.00 57.65 ? 23 G B "C4'" 1 +ATOM 1032 O "O4'" . G B 1 23 ? 93.432 23.538 22.355 1.00 56.57 ? 23 G B "O4'" 1 +ATOM 1033 C "C3'" . G B 1 23 ? 95.602 23.776 23.149 1.00 57.41 ? 23 G B "C3'" 1 +ATOM 1034 O "O3'" . G B 1 23 ? 96.612 24.607 23.734 1.00 57.92 ? 23 G B "O3'" 1 +ATOM 1035 C "C2'" . G B 1 23 ? 94.846 22.944 24.177 1.00 56.65 ? 23 G B "C2'" 1 +ATOM 1036 O "O2'" . G B 1 23 ? 94.508 23.689 25.331 1.00 57.13 ? 23 G B "O2'" 1 +ATOM 1037 C "C1'" . G B 1 23 ? 93.572 22.589 23.403 1.00 55.60 ? 23 G B "C1'" 1 +ATOM 1038 N N9 . G B 1 23 ? 93.592 21.256 22.814 1.00 54.53 ? 23 G B N9 1 +ATOM 1039 C C8 . G B 1 23 ? 94.024 20.917 21.558 1.00 55.45 ? 23 G B C8 1 +ATOM 1040 N N7 . G B 1 23 ? 93.897 19.644 21.297 1.00 54.95 ? 23 G B N7 1 +ATOM 1041 C C5 . G B 1 23 ? 93.354 19.109 22.455 1.00 53.55 ? 23 G B C5 1 +ATOM 1042 C C6 . G B 1 23 ? 92.987 17.771 22.764 1.00 52.49 ? 23 G B C6 1 +ATOM 1043 O O6 . G B 1 23 ? 93.084 16.761 22.054 1.00 52.33 ? 23 G B O6 1 +ATOM 1044 N N1 . G B 1 23 ? 92.466 17.669 24.049 1.00 51.93 ? 23 G B N1 1 +ATOM 1045 C C2 . G B 1 23 ? 92.322 18.717 24.930 1.00 52.30 ? 23 G B C2 1 +ATOM 1046 N N2 . G B 1 23 ? 91.798 18.416 26.134 1.00 51.85 ? 23 G B N2 1 +ATOM 1047 N N3 . G B 1 23 ? 92.665 19.969 24.653 1.00 52.66 ? 23 G B N3 1 +ATOM 1048 C C4 . G B 1 23 ? 93.167 20.090 23.406 1.00 53.55 ? 23 G B C4 1 +HETATM 1049 MG MG . MG C 2 . ? 75.024 17.375 18.586 1.00 56.94 ? 30 MG A MG 1 +HETATM 1050 MG MG . MG D 2 . ? 83.899 15.704 20.943 1.00 46.02 ? 32 MG A MG 1 +HETATM 1051 PB PB . PB E 3 . ? 70.205 13.091 14.979 0.41 57.39 ? 36 PB A PB 1 +HETATM 1052 MG MG . MG F 2 . ? 64.653 10.977 18.475 0.98 50.03 ? 37 MG A MG 1 +HETATM 1053 MG MG . MG G 2 . ? 32.599 10.038 22.401 0.98 57.42 ? 38 MG A MG 1 +HETATM 1054 MG MG . MG H 2 . ? 81.884 18.084 22.788 1.00 67.13 ? 40 MG A MG 1 +HETATM 1055 MG MG . MG I 2 . ? 44.173 13.946 19.102 1.00 39.51 ? 43 MG A MG 1 +HETATM 1056 PB PB . PB J 3 . ? 64.504 7.704 12.425 0.23 79.75 ? 31 PB B PB 1 +HETATM 1057 MG MG . MG K 2 . ? 44.154 13.762 23.328 1.00 34.93 ? 33 MG B MG 1 +HETATM 1058 MG MG . MG L 2 . ? 52.085 10.722 22.133 1.00 67.08 ? 34 MG B MG 1 +HETATM 1059 PB PB . PB M 3 . ? 57.962 8.995 17.165 0.55 60.78 ? 35 PB B PB 1 +HETATM 1060 MG MG . MG N 2 . ? 83.571 14.086 19.636 0.79 63.41 ? 41 MG B MG 1 +HETATM 1061 MG MG . MG O 2 . ? 42.390 18.518 20.769 0.88 56.54 ? 42 MG B MG 1 +HETATM 1062 O O . HOH P 4 . ? 43.589 4.145 14.119 1.00 41.44 ? 100 HOH A O 1 +HETATM 1063 O O . HOH P 4 . ? 58.446 10.943 23.574 1.00 41.10 ? 105 HOH A O 1 +HETATM 1064 O O . HOH P 4 . ? 39.387 3.059 27.219 1.00 38.53 ? 106 HOH A O 1 +HETATM 1065 O O . HOH P 4 . ? 87.166 26.536 22.791 1.00 53.46 ? 108 HOH A O 1 +HETATM 1066 O O . HOH P 4 . ? 89.054 12.772 19.545 0.90 43.53 ? 110 HOH A O 1 +HETATM 1067 O O . HOH P 4 . ? 37.575 10.590 19.417 1.00 61.99 ? 111 HOH A O 1 +HETATM 1068 O O . HOH P 4 . ? 76.341 4.078 16.619 0.72 53.64 ? 112 HOH A O 1 +HETATM 1069 O O . HOH P 4 . ? 65.035 13.469 1.332 1.00 60.07 ? 113 HOH A O 1 +HETATM 1070 O O . HOH P 4 . ? 61.083 5.324 31.012 1.00 41.71 ? 114 HOH A O 1 +HETATM 1071 O O . HOH P 4 . ? 39.657 14.808 8.407 0.95 51.17 ? 115 HOH A O 1 +HETATM 1072 O O . HOH P 4 . ? 72.777 3.992 23.062 0.96 38.56 ? 120 HOH A O 1 +HETATM 1073 O O . HOH P 4 . ? 36.072 -0.126 17.076 0.88 52.30 ? 121 HOH A O 1 +HETATM 1074 O O . HOH P 4 . ? 46.964 19.741 26.230 0.92 36.92 ? 124 HOH A O 1 +HETATM 1075 O O . HOH P 4 . ? 58.914 21.002 24.892 1.00 38.28 ? 125 HOH A O 1 +HETATM 1076 O O . HOH P 4 . ? 27.580 6.987 30.244 1.00 59.14 ? 129 HOH A O 1 +HETATM 1077 O O . HOH P 4 . ? 32.132 4.214 18.659 1.00 61.97 ? 132 HOH A O 1 +HETATM 1078 O O . HOH P 4 . ? 76.323 28.189 21.376 1.00 55.61 ? 134 HOH A O 1 +HETATM 1079 O O . HOH P 4 . ? 54.308 8.804 30.051 0.93 58.24 ? 135 HOH A O 1 +HETATM 1080 O O . HOH P 4 . ? 56.074 21.438 18.905 1.00 70.23 ? 141 HOH A O 1 +HETATM 1081 O O . HOH P 4 . ? 46.987 18.116 28.707 0.97 50.51 ? 142 HOH A O 1 +HETATM 1082 O O . HOH Q 4 . ? 53.803 -1.366 17.857 1.00 50.16 ? 101 HOH B O 1 +HETATM 1083 O O . HOH Q 4 . ? 90.036 15.910 15.962 1.00 33.68 ? 102 HOH B O 1 +HETATM 1084 O O . HOH Q 4 . ? 81.054 15.211 29.926 1.00 44.50 ? 103 HOH B O 1 +HETATM 1085 O O . HOH Q 4 . ? 64.364 16.366 16.751 1.00 72.47 ? 104 HOH B O 1 +HETATM 1086 O O . HOH Q 4 . ? 95.449 17.632 9.764 1.00 50.91 ? 107 HOH B O 1 +HETATM 1087 O O . HOH Q 4 . ? 94.353 18.145 18.975 1.00 58.61 ? 109 HOH B O 1 +HETATM 1088 O O . HOH Q 4 . ? 51.820 9.858 24.456 0.98 41.16 ? 116 HOH B O 1 +HETATM 1089 O O . HOH Q 4 . ? 54.830 0.000 21.933 0.50 29.19 ? 117 HOH B O 1 +HETATM 1090 O O . HOH Q 4 . ? 52.758 9.454 12.704 1.00 37.26 ? 118 HOH B O 1 +HETATM 1091 O O . HOH Q 4 . ? 40.338 21.978 20.339 0.86 34.98 ? 119 HOH B O 1 +HETATM 1092 O O . HOH Q 4 . ? 82.266 2.963 14.784 0.89 27.87 ? 122 HOH B O 1 +HETATM 1093 O O . HOH Q 4 . ? 48.332 11.035 25.317 0.75 44.69 ? 123 HOH B O 1 +HETATM 1094 O O . HOH Q 4 . ? 75.617 15.163 21.888 0.82 77.00 ? 126 HOH B O 1 +HETATM 1095 O O . HOH Q 4 . ? 45.466 12.727 26.218 1.00 47.91 ? 127 HOH B O 1 +HETATM 1096 O O . HOH Q 4 . ? 47.286 10.967 34.408 1.00 45.17 ? 128 HOH B O 1 +HETATM 1097 O O . HOH Q 4 . ? 40.559 23.538 29.552 1.00 54.98 ? 130 HOH B O 1 +HETATM 1098 O O . HOH Q 4 . ? 70.158 11.227 29.473 1.00 51.73 ? 131 HOH B O 1 +HETATM 1099 O O . HOH Q 4 . ? 53.890 13.852 10.355 1.00 70.54 ? 133 HOH B O 1 +HETATM 1100 O O . HOH Q 4 . ? 73.148 6.179 26.083 1.00 69.16 ? 136 HOH B O 1 +HETATM 1101 O O . HOH Q 4 . ? 78.664 16.744 29.522 0.85 77.00 ? 137 HOH B O 1 +HETATM 1102 O O . HOH Q 4 . ? 81.320 14.719 26.460 0.98 59.80 ? 138 HOH B O 1 +HETATM 1103 O O . HOH Q 4 . ? 87.341 24.947 15.972 1.00 54.65 ? 139 HOH B O 1 +HETATM 1104 O O . HOH Q 4 . ? 89.806 27.293 18.885 0.88 44.45 ? 140 HOH B O 1 +HETATM 1105 O O . HOH Q 4 . ? 62.221 8.554 18.158 0.81 68.00 ? 143 HOH B O 1 +#