diff --git "a/structures/1xst.cif" "b/structures/1xst.cif" new file mode 100644--- /dev/null +++ "b/structures/1xst.cif" @@ -0,0 +1,1958 @@ +data_1XST +# +_entry.id 1XST +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.392 +_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 1XST pdb_00001xst 10.2210/pdb1xst/pdb +RCSB RCSB030726 ? ? +WWPDB D_1000030726 ? ? +# +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 2004-12-28 +2 'Structure model' 1 1 2008-04-30 +3 'Structure model' 1 2 2011-07-13 +4 'Structure model' 1 3 2022-03-02 +5 'Structure model' 1 4 2024-05-29 +# +_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' +6 5 'Structure model' 'Data collection' +# +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' database_2 +2 4 'Structure model' pdbx_nmr_software +3 4 'Structure model' pdbx_struct_assembly +4 4 'Structure model' pdbx_struct_oper_list +5 4 'Structure model' struct_site +6 5 'Structure model' chem_comp_atom +7 5 'Structure model' chem_comp_bond +# +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_nmr_software.name' +4 4 'Structure model' '_struct_site.pdbx_auth_asym_id' +5 4 'Structure model' '_struct_site.pdbx_auth_comp_id' +6 4 'Structure model' '_struct_site.pdbx_auth_seq_id' +# +_pdbx_database_status.status_code REL +_pdbx_database_status.entry_id 1XST +_pdbx_database_status.recvd_initial_deposition_date 2004-10-20 +_pdbx_database_status.deposit_site RCSB +_pdbx_database_status.process_site PDBJ +_pdbx_database_status.SG_entry . +_pdbx_database_status.pdb_format_compatible Y +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.status_code_sf ? +_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 1F6X 'Solution structure of wildtype RNase P RNA P4 oligoribonucleotide' unspecified +PDB 1F78 'Solution structure of wildtype RNase P RNA P4 oligoribonucleotide, complexed with cobalt (III) hexammine' unspecified +PDB 1XSU 'U69C/C70U mutations' unspecified +# +_audit_author.name 'Schmitz, M.' +_audit_author.pdbx_ordinal 1 +# +_citation.id primary +_citation.title +;Change of RNase P RNA function by single base mutation correlates with perturbation of metal ion binding in P4 as determined by NMR spectroscopy +; +_citation.journal_abbrev 'Nucleic Acids Res.' +_citation.journal_volume 32 +_citation.page_first 6358 +_citation.page_last 6366 +_citation.year 2004 +_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 15576680 +_citation.pdbx_database_id_DOI 10.1093/nar/gkh961 +# +_citation_author.citation_id primary +_citation_author.name 'Schmitz, M.' +_citation_author.ordinal 1 +_citation_author.identifier_ORCID ? +# +loop_ +_entity.id +_entity.type +_entity.src_method +_entity.pdbx_description +_entity.formula_weight +_entity.pdbx_number_of_molecules +_entity.pdbx_ec +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.details +1 polymer syn 'RNA (27-MER)' 8656.183 1 ? U69A ? ? +2 non-polymer syn 'COBALT HEXAMMINE(III)' 161.116 1 ? ? ? ? +# +_entity_name_com.entity_id 1 +_entity_name_com.name 'RNase P RNA P4 stem' +# +_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 GGAAGACCGGUCUUCGGACCGGCUUCC +_entity_poly.pdbx_seq_one_letter_code_can GGAAGACCGGUCUUCGGACCGGCUUCC +_entity_poly.pdbx_strand_id A +_entity_poly.pdbx_target_identifier ? +# +_pdbx_entity_nonpoly.entity_id 2 +_pdbx_entity_nonpoly.name 'COBALT HEXAMMINE(III)' +_pdbx_entity_nonpoly.comp_id NCO +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 G n +1 2 G n +1 3 A n +1 4 A n +1 5 G n +1 6 A n +1 7 C n +1 8 C n +1 9 G n +1 10 G n +1 11 U n +1 12 C n +1 13 U n +1 14 U n +1 15 C n +1 16 G n +1 17 G n +1 18 A n +1 19 C n +1 20 C n +1 21 G n +1 22 G n +1 23 C n +1 24 U n +1 25 U n +1 26 C n +1 27 C n +# +_pdbx_entity_src_syn.entity_id 1 +_pdbx_entity_src_syn.pdbx_src_id 1 +_pdbx_entity_src_syn.pdbx_alt_source_flag sample +_pdbx_entity_src_syn.pdbx_beg_seq_num ? +_pdbx_entity_src_syn.pdbx_end_seq_num ? +_pdbx_entity_src_syn.organism_scientific ? +_pdbx_entity_src_syn.organism_common_name ? +_pdbx_entity_src_syn.ncbi_taxonomy_id ? +_pdbx_entity_src_syn.details 'enzymatically synthesized from DNA oligonucleotide template ny T7 RNA polymerase' +# +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 +NCO non-polymer . 'COBALT HEXAMMINE(III)' ? 'Co H18 N6 3' 161.116 +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 G 1 1 1 G G A . n +A 1 2 G 2 2 2 G G A . n +A 1 3 A 3 3 3 A A A . n +A 1 4 A 4 4 4 A A A . n +A 1 5 G 5 5 5 G G A . n +A 1 6 A 6 6 6 A A A . n +A 1 7 C 7 7 7 C C A . n +A 1 8 C 8 8 8 C C A . n +A 1 9 G 9 9 9 G G A . n +A 1 10 G 10 10 10 G G A . n +A 1 11 U 11 11 11 U U A . n +A 1 12 C 12 12 12 C C A . n +A 1 13 U 13 13 13 U U A . n +A 1 14 U 14 14 14 U U A . n +A 1 15 C 15 15 15 C C A . n +A 1 16 G 16 16 16 G G A . n +A 1 17 G 17 17 17 G G A . n +A 1 18 A 18 18 18 A A A . n +A 1 19 C 19 19 19 C C A . n +A 1 20 C 20 20 20 C C A . n +A 1 21 G 21 21 21 G G A . n +A 1 22 G 22 22 22 G G A . n +A 1 23 C 23 23 23 C C A . n +A 1 24 U 24 24 24 U U A . n +A 1 25 U 25 25 25 U U A . n +A 1 26 C 26 26 26 C C A . n +A 1 27 C 27 27 27 C C A . n +# +_pdbx_nonpoly_scheme.asym_id B +_pdbx_nonpoly_scheme.entity_id 2 +_pdbx_nonpoly_scheme.mon_id NCO +_pdbx_nonpoly_scheme.ndb_seq_num 1 +_pdbx_nonpoly_scheme.pdb_seq_num 28 +_pdbx_nonpoly_scheme.auth_seq_num 28 +_pdbx_nonpoly_scheme.pdb_mon_id NCO +_pdbx_nonpoly_scheme.auth_mon_id NCO +_pdbx_nonpoly_scheme.pdb_strand_id A +_pdbx_nonpoly_scheme.pdb_ins_code . +# +_exptl.entry_id 1XST +_exptl.method 'SOLUTION NMR' +_exptl.crystals_number ? +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas ? +_exptl_crystal.density_Matthews ? +_exptl_crystal.density_percent_sol ? +_exptl_crystal.description ? +# +_diffrn.id 1 +_diffrn.ambient_temp ? +_diffrn.ambient_temp_details ? +_diffrn.crystal_id 1 +# +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.monochromator ? +_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' +_diffrn_radiation.pdbx_scattering_type ? +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength . +_diffrn_radiation_wavelength.wt 1.0 +# +_database_PDB_matrix.entry_id 1XST +_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 1XST +_struct.title +'Solution structure of E.coli RNase P RNA P4 stem, U69A mutation, complexed with cobalt (III) hexammine.' +_struct.pdbx_model_details ? +_struct.pdbx_CASP_flag ? +_struct.pdbx_model_type_details 'minimized average' +# +_struct_keywords.entry_id 1XST +_struct_keywords.pdbx_keywords RNA +_struct_keywords.text +;Ribonuclease P RNA, Ribozyme, transfer RNA processing, P4 stem, U69A mutant, metal binding site, metal complex, cobalt (III) hexammine complex, RNA +; +# +loop_ +_struct_asym.id +_struct_asym.pdbx_blank_PDB_chainid_flag +_struct_asym.pdbx_modified +_struct_asym.entity_id +_struct_asym.details +A N N 1 ? +B N N 2 ? +# +_struct_ref.id 1 +_struct_ref.entity_id 1 +_struct_ref.db_name PDB +_struct_ref.db_code 1XST +_struct_ref.pdbx_db_accession 1XST +_struct_ref.pdbx_db_isoform ? +_struct_ref.pdbx_seq_one_letter_code ? +_struct_ref.pdbx_align_begin ? +# +_struct_ref_seq.align_id 1 +_struct_ref_seq.ref_id 1 +_struct_ref_seq.pdbx_PDB_id_code 1XST +_struct_ref_seq.pdbx_strand_id A +_struct_ref_seq.seq_align_beg 1 +_struct_ref_seq.pdbx_seq_align_beg_ins_code ? +_struct_ref_seq.seq_align_end 27 +_struct_ref_seq.pdbx_seq_align_end_ins_code ? +_struct_ref_seq.pdbx_db_accession 1XST +_struct_ref_seq.db_align_beg 1 +_struct_ref_seq.pdbx_db_align_beg_ins_code ? +_struct_ref_seq.db_align_end 27 +_struct_ref_seq.pdbx_db_align_end_ins_code ? +_struct_ref_seq.pdbx_auth_seq_align_beg 1 +_struct_ref_seq.pdbx_auth_seq_align_end 27 +# +_pdbx_struct_assembly.id 1 +_pdbx_struct_assembly.details author_defined_assembly +_pdbx_struct_assembly.method_details ? +_pdbx_struct_assembly.oligomeric_details monomeric +_pdbx_struct_assembly.oligomeric_count 1 +# +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1 +_pdbx_struct_assembly_gen.asym_id_list A,B +# +_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 +# +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 +hydrog1 hydrog ? ? A G 1 N1 ? ? ? 1_555 A C 27 N3 ? ? A G 1 A C 27 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog2 hydrog ? ? A G 1 N2 ? ? ? 1_555 A C 27 O2 ? ? A G 1 A C 27 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog3 hydrog ? ? A G 1 O6 ? ? ? 1_555 A C 27 N4 ? ? A G 1 A C 27 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog4 hydrog ? ? A G 2 N1 ? ? ? 1_555 A C 26 N3 ? ? A G 2 A C 26 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog5 hydrog ? ? A G 2 N2 ? ? ? 1_555 A C 26 O2 ? ? A G 2 A C 26 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog6 hydrog ? ? A G 2 O6 ? ? ? 1_555 A C 26 N4 ? ? A G 2 A C 26 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog7 hydrog ? ? A A 3 N1 ? ? ? 1_555 A U 25 N3 ? ? A A 3 A U 25 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog8 hydrog ? ? A A 3 N6 ? ? ? 1_555 A U 25 O4 ? ? A A 3 A U 25 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog9 hydrog ? ? A A 4 N1 ? ? ? 1_555 A U 24 N3 ? ? A A 4 A U 24 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog10 hydrog ? ? A A 4 N6 ? ? ? 1_555 A U 24 O4 ? ? A A 4 A U 24 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog11 hydrog ? ? A G 5 N2 ? ? ? 1_555 A A 6 N7 ? ? A G 5 A A 6 1_555 ? ? ? ? ? ? 'G-A MISPAIR' ? ? ? +hydrog12 hydrog ? ? A G 5 N1 ? ? ? 1_555 A C 23 N3 ? ? A G 5 A C 23 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog13 hydrog ? ? A G 5 N2 ? ? ? 1_555 A C 23 O2 ? ? A G 5 A C 23 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog14 hydrog ? ? A G 5 O6 ? ? ? 1_555 A C 23 N4 ? ? A G 5 A C 23 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog15 hydrog ? ? A A 6 N6 ? ? ? 1_555 A C 23 O2 ? ? A A 6 A C 23 1_555 ? ? ? ? ? ? 'A-C MISPAIR' ? ? ? +hydrog16 hydrog ? ? A C 7 N3 ? ? ? 1_555 A G 22 N1 ? ? A C 7 A G 22 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog17 hydrog ? ? A C 7 N4 ? ? ? 1_555 A G 22 O6 ? ? A C 7 A G 22 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog18 hydrog ? ? A C 7 O2 ? ? ? 1_555 A G 22 N2 ? ? A C 7 A G 22 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog19 hydrog ? ? A C 8 N3 ? ? ? 1_555 A G 21 N1 ? ? A C 8 A G 21 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog20 hydrog ? ? A C 8 N4 ? ? ? 1_555 A G 21 O6 ? ? A C 8 A G 21 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog21 hydrog ? ? A C 8 O2 ? ? ? 1_555 A G 21 N2 ? ? A C 8 A G 21 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog22 hydrog ? ? A G 9 N1 ? ? ? 1_555 A C 20 N3 ? ? A G 9 A C 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog23 hydrog ? ? A G 9 N2 ? ? ? 1_555 A C 20 O2 ? ? A G 9 A C 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog24 hydrog ? ? A G 9 O6 ? ? ? 1_555 A C 20 N4 ? ? A G 9 A C 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog25 hydrog ? ? A G 10 N1 ? ? ? 1_555 A C 19 N3 ? ? A G 10 A C 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog26 hydrog ? ? A G 10 N2 ? ? ? 1_555 A C 19 O2 ? ? A G 10 A C 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog27 hydrog ? ? A G 10 O6 ? ? ? 1_555 A C 19 N4 ? ? A G 10 A C 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog28 hydrog ? ? A U 11 N3 ? ? ? 1_555 A A 18 N1 ? ? A U 11 A A 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog29 hydrog ? ? A U 11 O4 ? ? ? 1_555 A A 18 N6 ? ? A U 11 A A 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog30 hydrog ? ? A C 12 N3 ? ? ? 1_555 A G 17 N1 ? ? A C 12 A G 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog31 hydrog ? ? A C 12 N4 ? ? ? 1_555 A G 17 O6 ? ? A C 12 A G 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog32 hydrog ? ? A C 12 O2 ? ? ? 1_555 A G 17 N2 ? ? A C 12 A G 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog33 hydrog ? ? A U 13 O2 ? ? ? 1_555 A G 16 N1 ? ? A U 13 A G 16 1_555 ? ? ? ? ? ? 'U-G MISPAIR' ? ? ? +hydrog34 hydrog ? ? A U 13 O2 ? ? ? 1_555 A G 17 N1 ? ? A U 13 A G 17 1_555 ? ? ? ? ? ? 'U-G MISPAIR' ? ? ? +# +_struct_conn_type.id hydrog +_struct_conn_type.criteria ? +_struct_conn_type.reference ? +# +_struct_site.id AC1 +_struct_site.pdbx_evidence_code Software +_struct_site.pdbx_auth_asym_id A +_struct_site.pdbx_auth_comp_id NCO +_struct_site.pdbx_auth_seq_id 28 +_struct_site.pdbx_auth_ins_code ? +_struct_site.pdbx_num_residues 3 +_struct_site.details 'BINDING SITE FOR RESIDUE NCO A 28' +# +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 3 G A 9 ? G A 9 . ? 1_555 ? +2 AC1 3 C A 20 ? C A 20 . ? 1_555 ? +3 AC1 3 G A 21 ? G A 21 . ? 1_555 ? +# +_pdbx_nmr_ensemble.entry_id 1XST +_pdbx_nmr_ensemble.conformers_calculated_total_number ? +_pdbx_nmr_ensemble.conformers_submitted_total_number 1 +_pdbx_nmr_ensemble.conformer_selection_criteria ? +# +_pdbx_nmr_representative.entry_id 1XST +_pdbx_nmr_representative.conformer_id 1 +_pdbx_nmr_representative.selection_criteria 'minimized average structure' +# +loop_ +_pdbx_nmr_sample_details.solution_id +_pdbx_nmr_sample_details.contents +_pdbx_nmr_sample_details.solvent_system +1 '2mM P4 U69A RNA; 100mM NaCl; 10mM phosphate buffer; 90% H2O, 10% D2O' '90% H2O/10% D2O' +2 '2mM P4 U69A RNA; 100mM NaCl; 10mM phosphate buffer; 100% D2O' '100% D2O' +3 '2mM P4 U69A RNA; 100mM NaCl; 6mM hexammine cobalt chloride; 10mM phosphate buffer; 90% H2O, 10% D2O' '90% H2O/10% D2O' +# +loop_ +_pdbx_nmr_exptl_sample_conditions.conditions_id +_pdbx_nmr_exptl_sample_conditions.temperature +_pdbx_nmr_exptl_sample_conditions.pressure +_pdbx_nmr_exptl_sample_conditions.pH +_pdbx_nmr_exptl_sample_conditions.ionic_strength +_pdbx_nmr_exptl_sample_conditions.pressure_units +_pdbx_nmr_exptl_sample_conditions.temperature_units +1 288 ambient 6.4 '100 mM NaCl' ? K +2 288 ambient 6.4 '100 mM NaCl, 6 mM Co(NH3)6Cl' ? K +# +loop_ +_pdbx_nmr_exptl.experiment_id +_pdbx_nmr_exptl.solution_id +_pdbx_nmr_exptl.conditions_id +_pdbx_nmr_exptl.type +1 1 1 '2D NOESY' +2 2 1 '2D NOESY' +3 3 2 '2D NOESY' +4 2 1 DQF-COSY +5 2 1 31P-1H-Hetero-COSY +6 2 1 31P-1H-Hetero-TOCSY-NOESY +# +_pdbx_nmr_details.entry_id 1XST +_pdbx_nmr_details.text +;The structure was determined using standard 2D homonuclear techniques as well as 13C and 31P heteronuclear experiments performed at natural abundance. Intermolecular NOE crosspeaks between RNA protons and cobalt (III) hexammine protons and intermolecular distance constraints derived thereof were used to determine the site of cobalt (III) hexammine binding. +; +# +_pdbx_nmr_refine.entry_id 1XST +_pdbx_nmr_refine.method 'restrained molecular dynamics and simulated annealing' +_pdbx_nmr_refine.details +;The average structure is based on the superposition of 14 structures after refinement. The average RMS deviation between the ensemble and the average structure is 1.85 Angstrom. A total of 290 NOE-derived distance constraints, 245 dihedral constraints and 48 distance constraints from hydrogen bonds were used in refinement. 15 NOE derived intermolecular distance constraints were used to localize the bound cobalt (III) hexammine. +; +_pdbx_nmr_refine.software_ordinal 1 +# +loop_ +_pdbx_nmr_software.name +_pdbx_nmr_software.version +_pdbx_nmr_software.classification +_pdbx_nmr_software.authors +_pdbx_nmr_software.ordinal +XwinNMR 1.2 collection Bruker 1 +NMRPipe 2.1 processing 'F. Delaglio' 2 +X-PLOR 3.1 'structure solution' 'A. Bruenger' 3 +X-PLOR 3.1 refinement 'A. Bruenger' 4 +# +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 +NCO CO CO N N 111 +NCO N1 N N N 112 +NCO N2 N N N 113 +NCO N3 N N N 114 +NCO N4 N N N 115 +NCO N5 N N N 116 +NCO N6 N N N 117 +NCO HN11 H N N 118 +NCO HN12 H N N 119 +NCO HN13 H N N 120 +NCO HN21 H N N 121 +NCO HN22 H N N 122 +NCO HN23 H N N 123 +NCO HN31 H N N 124 +NCO HN32 H N N 125 +NCO HN33 H N N 126 +NCO HN41 H N N 127 +NCO HN42 H N N 128 +NCO HN43 H N N 129 +NCO HN51 H N N 130 +NCO HN52 H N N 131 +NCO HN53 H N N 132 +NCO HN61 H N N 133 +NCO HN62 H N N 134 +NCO HN63 H N N 135 +U OP3 O N N 136 +U P P N N 137 +U OP1 O N N 138 +U OP2 O N N 139 +U "O5'" O N N 140 +U "C5'" C N N 141 +U "C4'" C N R 142 +U "O4'" O N N 143 +U "C3'" C N S 144 +U "O3'" O N N 145 +U "C2'" C N R 146 +U "O2'" O N N 147 +U "C1'" C N R 148 +U N1 N N N 149 +U C2 C N N 150 +U O2 O N N 151 +U N3 N N N 152 +U C4 C N N 153 +U O4 O N N 154 +U C5 C N N 155 +U C6 C N N 156 +U HOP3 H N N 157 +U HOP2 H N N 158 +U "H5'" H N N 159 +U "H5''" H N N 160 +U "H4'" H N N 161 +U "H3'" H N N 162 +U "HO3'" H N N 163 +U "H2'" H N N 164 +U "HO2'" H N N 165 +U "H1'" H N N 166 +U H3 H N N 167 +U H5 H N N 168 +U H6 H N N 169 +# +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 +NCO CO N1 sing N N 116 +NCO CO N2 sing N N 117 +NCO CO N3 sing N N 118 +NCO CO N4 sing N N 119 +NCO CO N5 sing N N 120 +NCO CO N6 sing N N 121 +NCO N1 HN11 sing N N 122 +NCO N1 HN12 sing N N 123 +NCO N1 HN13 sing N N 124 +NCO N2 HN21 sing N N 125 +NCO N2 HN22 sing N N 126 +NCO N2 HN23 sing N N 127 +NCO N3 HN31 sing N N 128 +NCO N3 HN32 sing N N 129 +NCO N3 HN33 sing N N 130 +NCO N4 HN41 sing N N 131 +NCO N4 HN42 sing N N 132 +NCO N4 HN43 sing N N 133 +NCO N5 HN51 sing N N 134 +NCO N5 HN52 sing N N 135 +NCO N5 HN53 sing N N 136 +NCO N6 HN61 sing N N 137 +NCO N6 HN62 sing N N 138 +NCO N6 HN63 sing N N 139 +U OP3 P sing N N 140 +U OP3 HOP3 sing N N 141 +U P OP1 doub N N 142 +U P OP2 sing N N 143 +U P "O5'" sing N N 144 +U OP2 HOP2 sing N N 145 +U "O5'" "C5'" sing N N 146 +U "C5'" "C4'" sing N N 147 +U "C5'" "H5'" sing N N 148 +U "C5'" "H5''" sing N N 149 +U "C4'" "O4'" sing N N 150 +U "C4'" "C3'" sing N N 151 +U "C4'" "H4'" sing N N 152 +U "O4'" "C1'" sing N N 153 +U "C3'" "O3'" sing N N 154 +U "C3'" "C2'" sing N N 155 +U "C3'" "H3'" sing N N 156 +U "O3'" "HO3'" sing N N 157 +U "C2'" "O2'" sing N N 158 +U "C2'" "C1'" sing N N 159 +U "C2'" "H2'" sing N N 160 +U "O2'" "HO2'" sing N N 161 +U "C1'" N1 sing N N 162 +U "C1'" "H1'" sing N N 163 +U N1 C2 sing N N 164 +U N1 C6 sing N N 165 +U C2 O2 doub N N 166 +U C2 N3 sing N N 167 +U N3 C4 sing N N 168 +U N3 H3 sing N N 169 +U C4 O4 doub N N 170 +U C4 C5 sing N N 171 +U C5 C6 doub N N 172 +U C5 H5 sing N N 173 +U C6 H6 sing N N 174 +# +loop_ +_ndb_struct_conf_na.entry_id +_ndb_struct_conf_na.feature +1XST 'double helix' +1XST 'a-form double helix' +1XST 'quadruple helix' +# +loop_ +_ndb_struct_na_base_pair.model_number +_ndb_struct_na_base_pair.i_label_asym_id +_ndb_struct_na_base_pair.i_label_comp_id +_ndb_struct_na_base_pair.i_label_seq_id +_ndb_struct_na_base_pair.i_symmetry +_ndb_struct_na_base_pair.j_label_asym_id +_ndb_struct_na_base_pair.j_label_comp_id +_ndb_struct_na_base_pair.j_label_seq_id +_ndb_struct_na_base_pair.j_symmetry +_ndb_struct_na_base_pair.shear +_ndb_struct_na_base_pair.stretch +_ndb_struct_na_base_pair.stagger +_ndb_struct_na_base_pair.buckle +_ndb_struct_na_base_pair.propeller +_ndb_struct_na_base_pair.opening +_ndb_struct_na_base_pair.pair_number +_ndb_struct_na_base_pair.pair_name +_ndb_struct_na_base_pair.i_auth_asym_id +_ndb_struct_na_base_pair.i_auth_seq_id +_ndb_struct_na_base_pair.i_PDB_ins_code +_ndb_struct_na_base_pair.j_auth_asym_id +_ndb_struct_na_base_pair.j_auth_seq_id +_ndb_struct_na_base_pair.j_PDB_ins_code +_ndb_struct_na_base_pair.hbond_type_28 +_ndb_struct_na_base_pair.hbond_type_12 +1 A G 1 1_555 A C 27 1_555 -0.342 -0.484 -0.555 23.335 0.816 -0.768 1 A_G1:C27_A A 1 ? A 27 ? 19 1 +1 A G 2 1_555 A C 26 1_555 -0.302 -0.359 -0.675 10.569 -3.500 2.279 2 A_G2:C26_A A 2 ? A 26 ? 19 1 +1 A A 3 1_555 A U 25 1_555 0.059 -0.226 -0.005 7.606 -25.284 -8.627 3 A_A3:U25_A A 3 ? A 25 ? 20 1 +1 A A 4 1_555 A U 24 1_555 0.242 -0.090 -0.784 -9.299 -15.951 0.099 4 A_A4:U24_A A 4 ? A 24 ? 20 1 +1 A G 5 1_555 A C 23 1_555 -0.329 -0.337 -0.826 -3.983 -7.527 0.819 5 A_G5:C23_A A 5 ? A 23 ? 19 1 +1 A C 7 1_555 A G 22 1_555 0.066 -0.304 -0.605 10.645 16.778 -6.861 6 A_C7:G22_A A 7 ? A 22 ? 19 1 +1 A C 8 1_555 A G 21 1_555 0.010 -0.359 -0.810 12.944 9.782 -11.129 7 A_C8:G21_A A 8 ? A 21 ? 19 1 +1 A G 9 1_555 A C 20 1_555 0.179 -0.425 -1.233 -13.134 3.860 -11.739 8 A_G9:C20_A A 9 ? A 20 ? 19 1 +1 A G 10 1_555 A C 19 1_555 -0.235 -0.418 0.630 -18.404 6.265 6.918 9 A_G10:C19_A A 10 ? A 19 ? 19 1 +1 A U 11 1_555 A A 18 1_555 -0.381 -0.245 -0.756 -12.933 0.290 -12.326 10 A_U11:A18_A A 11 ? A 18 ? 20 1 +1 A C 12 1_555 A G 17 1_555 0.273 -0.501 -0.998 -3.207 -2.263 -1.161 11 A_C12:G17_A A 12 ? A 17 ? 19 1 +1 A U 13 1_555 A G 16 1_555 1.301 -5.523 0.068 4.668 -18.953 -87.979 12 A_U13:G16_A A 13 ? A 16 ? ? 2 +# +loop_ +_ndb_struct_na_base_pair_step.model_number +_ndb_struct_na_base_pair_step.i_label_asym_id_1 +_ndb_struct_na_base_pair_step.i_label_comp_id_1 +_ndb_struct_na_base_pair_step.i_label_seq_id_1 +_ndb_struct_na_base_pair_step.i_symmetry_1 +_ndb_struct_na_base_pair_step.j_label_asym_id_1 +_ndb_struct_na_base_pair_step.j_label_comp_id_1 +_ndb_struct_na_base_pair_step.j_label_seq_id_1 +_ndb_struct_na_base_pair_step.j_symmetry_1 +_ndb_struct_na_base_pair_step.i_label_asym_id_2 +_ndb_struct_na_base_pair_step.i_label_comp_id_2 +_ndb_struct_na_base_pair_step.i_label_seq_id_2 +_ndb_struct_na_base_pair_step.i_symmetry_2 +_ndb_struct_na_base_pair_step.j_label_asym_id_2 +_ndb_struct_na_base_pair_step.j_label_comp_id_2 +_ndb_struct_na_base_pair_step.j_label_seq_id_2 +_ndb_struct_na_base_pair_step.j_symmetry_2 +_ndb_struct_na_base_pair_step.shift +_ndb_struct_na_base_pair_step.slide +_ndb_struct_na_base_pair_step.rise +_ndb_struct_na_base_pair_step.tilt +_ndb_struct_na_base_pair_step.roll +_ndb_struct_na_base_pair_step.twist +_ndb_struct_na_base_pair_step.x_displacement +_ndb_struct_na_base_pair_step.y_displacement +_ndb_struct_na_base_pair_step.helical_rise +_ndb_struct_na_base_pair_step.inclination +_ndb_struct_na_base_pair_step.tip +_ndb_struct_na_base_pair_step.helical_twist +_ndb_struct_na_base_pair_step.step_number +_ndb_struct_na_base_pair_step.step_name +_ndb_struct_na_base_pair_step.i_auth_asym_id_1 +_ndb_struct_na_base_pair_step.i_auth_seq_id_1 +_ndb_struct_na_base_pair_step.i_PDB_ins_code_1 +_ndb_struct_na_base_pair_step.j_auth_asym_id_1 +_ndb_struct_na_base_pair_step.j_auth_seq_id_1 +_ndb_struct_na_base_pair_step.j_PDB_ins_code_1 +_ndb_struct_na_base_pair_step.i_auth_asym_id_2 +_ndb_struct_na_base_pair_step.i_auth_seq_id_2 +_ndb_struct_na_base_pair_step.i_PDB_ins_code_2 +_ndb_struct_na_base_pair_step.j_auth_asym_id_2 +_ndb_struct_na_base_pair_step.j_auth_seq_id_2 +_ndb_struct_na_base_pair_step.j_PDB_ins_code_2 +1 A G 1 1_555 A C 27 1_555 A G 2 1_555 A C 26 1_555 0.472 -0.989 4.594 -0.736 14.363 26.969 -5.697 -1.092 3.605 28.380 1.455 +30.501 1 AA_G1G2:C26C27_AA A 1 ? A 27 ? A 2 ? A 26 ? +1 A G 2 1_555 A C 26 1_555 A A 3 1_555 A U 25 1_555 -0.648 -0.987 4.144 -1.375 -2.085 32.693 -1.290 0.845 4.220 -3.697 2.438 +32.785 2 AA_G2A3:U25C26_AA A 2 ? A 26 ? A 3 ? A 25 ? +1 A A 3 1_555 A U 25 1_555 A A 4 1_555 A U 24 1_555 0.522 -0.603 4.634 2.529 -2.160 35.847 -0.537 -0.331 4.686 -3.500 +-4.099 35.996 3 AA_A3A4:U24U25_AA A 3 ? A 25 ? A 4 ? A 24 ? +1 A A 4 1_555 A U 24 1_555 A G 5 1_555 A C 23 1_555 0.290 -1.476 3.514 -1.496 3.837 27.016 -4.117 -1.002 3.256 8.153 3.178 +27.322 4 AA_A4G5:C23U24_AA A 4 ? A 24 ? A 5 ? A 23 ? +1 A G 5 1_555 A C 23 1_555 A C 7 1_555 A G 22 1_555 -1.678 -0.693 3.176 1.424 46.112 39.411 -2.795 1.744 1.593 51.604 +-1.594 59.967 5 AA_G5C7:G22C23_AA A 5 ? A 23 ? A 7 ? A 22 ? +1 A C 7 1_555 A G 22 1_555 A C 8 1_555 A G 21 1_555 -1.103 -1.728 3.855 1.435 14.950 33.986 -4.862 1.941 2.827 24.166 +-2.319 37.067 6 AA_C7C8:G21G22_AA A 7 ? A 22 ? A 8 ? A 21 ? +1 A C 8 1_555 A G 21 1_555 A G 9 1_555 A C 20 1_555 0.060 -1.857 5.488 2.288 -0.175 25.735 -4.073 0.937 5.484 -0.392 +-5.124 25.835 7 AA_C8G9:C20G21_AA A 8 ? A 21 ? A 9 ? A 20 ? +1 A G 9 1_555 A C 20 1_555 A G 10 1_555 A C 19 1_555 1.940 -1.840 3.806 -13.150 3.180 29.843 -3.828 -5.760 2.543 5.814 +24.040 32.703 8 AA_G9G10:C19C20_AA A 9 ? A 20 ? A 10 ? A 19 ? +1 A G 10 1_555 A C 19 1_555 A U 11 1_555 A A 18 1_555 -2.846 -1.242 3.847 7.561 -12.113 29.146 0.230 6.636 3.275 -22.451 +-14.014 32.387 9 AA_G10U11:A18C19_AA A 10 ? A 19 ? A 11 ? A 18 ? +1 A U 11 1_555 A A 18 1_555 A C 12 1_555 A G 17 1_555 0.786 -1.110 3.442 0.337 17.189 33.313 -3.952 -1.183 2.590 27.802 +-0.545 37.376 10 AA_U11C12:G17A18_AA A 11 ? A 18 ? A 12 ? A 17 ? +1 A C 12 1_555 A G 17 1_555 A U 13 1_555 A G 16 1_555 1.401 -0.304 2.890 3.281 12.481 99.825 -0.369 -0.866 2.882 8.133 +-2.138 100.435 11 AA_C12U13:G16G17_AA A 12 ? A 17 ? A 13 ? A 16 ? +# +_pdbx_nmr_spectrometer.spectrometer_id 1 +_pdbx_nmr_spectrometer.type ? +_pdbx_nmr_spectrometer.manufacturer Bruker +_pdbx_nmr_spectrometer.model DMX +_pdbx_nmr_spectrometer.field_strength 600 +# +_atom_sites.entry_id 1XST +_atom_sites.fract_transf_matrix[1][1] 1.000000 +_atom_sites.fract_transf_matrix[1][2] 0.000000 +_atom_sites.fract_transf_matrix[1][3] 0.000000 +_atom_sites.fract_transf_matrix[2][1] 0.000000 +_atom_sites.fract_transf_matrix[2][2] 1.000000 +_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] 1.000000 +_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 +CO +H +N +O +P +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +ATOM 1 O "O5'" . G A 1 1 ? 1.351 -14.156 13.563 1.00 0.00 ? 1 G A "O5'" 1 +ATOM 2 C "C5'" . G A 1 1 ? 1.376 -15.172 12.557 1.00 0.00 ? 1 G A "C5'" 1 +ATOM 3 C "C4'" . G A 1 1 ? 0.393 -14.871 11.430 1.00 0.00 ? 1 G A "C4'" 1 +ATOM 4 O "O4'" . G A 1 1 ? -0.915 -14.685 11.984 1.00 0.00 ? 1 G A "O4'" 1 +ATOM 5 C "C3'" . G A 1 1 ? 0.665 -13.582 10.675 1.00 0.00 ? 1 G A "C3'" 1 +ATOM 6 O "O3'" . G A 1 1 ? 1.462 -13.917 9.536 1.00 0.00 ? 1 G A "O3'" 1 +ATOM 7 C "C2'" . G A 1 1 ? -0.709 -13.190 10.162 1.00 0.00 ? 1 G A "C2'" 1 +ATOM 8 O "O2'" . G A 1 1 ? -1.032 -13.922 8.977 1.00 0.00 ? 1 G A "O2'" 1 +ATOM 9 C "C1'" . G A 1 1 ? -1.608 -13.618 11.317 1.00 0.00 ? 1 G A "C1'" 1 +ATOM 10 N N9 . G A 1 1 ? -1.836 -12.527 12.283 1.00 0.00 ? 1 G A N9 1 +ATOM 11 C C8 . G A 1 1 ? -0.963 -11.999 13.200 1.00 0.00 ? 1 G A C8 1 +ATOM 12 N N7 . G A 1 1 ? -1.472 -11.034 13.913 1.00 0.00 ? 1 G A N7 1 +ATOM 13 C C5 . G A 1 1 ? -2.773 -10.913 13.437 1.00 0.00 ? 1 G A C5 1 +ATOM 14 C C6 . G A 1 1 ? -3.810 -10.026 13.834 1.00 0.00 ? 1 G A C6 1 +ATOM 15 O O6 . G A 1 1 ? -3.779 -9.155 14.701 1.00 0.00 ? 1 G A O6 1 +ATOM 16 N N1 . G A 1 1 ? -4.968 -10.234 13.102 1.00 0.00 ? 1 G A N1 1 +ATOM 17 C C2 . G A 1 1 ? -5.117 -11.176 12.110 1.00 0.00 ? 1 G A C2 1 +ATOM 18 N N2 . G A 1 1 ? -6.305 -11.240 11.509 1.00 0.00 ? 1 G A N2 1 +ATOM 19 N N3 . G A 1 1 ? -4.149 -12.015 11.729 1.00 0.00 ? 1 G A N3 1 +ATOM 20 C C4 . G A 1 1 ? -3.008 -11.825 12.436 1.00 0.00 ? 1 G A C4 1 +ATOM 21 H "H5'" . G A 1 1 ? 1.115 -16.128 13.011 1.00 0.00 ? 1 G A "H5'" 1 +ATOM 22 H "H5''" . G A 1 1 ? 2.382 -15.239 12.143 1.00 0.00 ? 1 G A "H5''" 1 +ATOM 23 H "H4'" . G A 1 1 ? 0.371 -15.719 10.745 1.00 0.00 ? 1 G A "H4'" 1 +ATOM 24 H "H3'" . G A 1 1 ? 1.135 -12.812 11.288 1.00 0.00 ? 1 G A "H3'" 1 +ATOM 25 H "H2'" . G A 1 1 ? -0.775 -12.117 9.993 1.00 0.00 ? 1 G A "H2'" 1 +ATOM 26 H "HO2'" . G A 1 1 ? -1.899 -14.312 9.110 1.00 0.00 ? 1 G A "HO2'" 1 +ATOM 27 H "H1'" . G A 1 1 ? -2.566 -13.980 10.949 1.00 0.00 ? 1 G A "H1'" 1 +ATOM 28 H H8 . G A 1 1 ? 0.061 -12.354 13.322 1.00 0.00 ? 1 G A H8 1 +ATOM 29 H H1 . G A 1 1 ? -5.760 -9.645 13.318 1.00 0.00 ? 1 G A H1 1 +ATOM 30 H H21 . G A 1 1 ? -7.041 -10.602 11.777 1.00 0.00 ? 1 G A H21 1 +ATOM 31 H H22 . G A 1 1 ? -6.469 -11.926 10.786 1.00 0.00 ? 1 G A H22 1 +ATOM 32 H "HO5'" . G A 1 1 ? 2.248 -14.058 13.893 1.00 0.00 ? 1 G A "HO5'" 1 +ATOM 33 P P . G A 1 2 ? 2.563 -12.881 8.979 1.00 0.00 ? 2 G A P 1 +ATOM 34 O OP1 . G A 1 2 ? 3.485 -13.620 8.088 1.00 0.00 ? 2 G A OP1 1 +ATOM 35 O OP2 . G A 1 2 ? 3.100 -12.115 10.126 1.00 0.00 ? 2 G A OP2 1 +ATOM 36 O "O5'" . G A 1 2 ? 1.680 -11.883 8.075 1.00 0.00 ? 2 G A "O5'" 1 +ATOM 37 C "C5'" . G A 1 2 ? 1.150 -12.319 6.821 1.00 0.00 ? 2 G A "C5'" 1 +ATOM 38 C "C4'" . G A 1 2 ? -0.027 -11.456 6.378 1.00 0.00 ? 2 G A "C4'" 1 +ATOM 39 O "O4'" . G A 1 2 ? -0.946 -11.316 7.463 1.00 0.00 ? 2 G A "O4'" 1 +ATOM 40 C "C3'" . G A 1 2 ? 0.330 -10.027 6.016 1.00 0.00 ? 2 G A "C3'" 1 +ATOM 41 O "O3'" . G A 1 2 ? 0.601 -10.000 4.612 1.00 0.00 ? 2 G A "O3'" 1 +ATOM 42 C "C2'" . G A 1 2 ? -0.977 -9.281 6.236 1.00 0.00 ? 2 G A "C2'" 1 +ATOM 43 O "O2'" . G A 1 2 ? -1.824 -9.407 5.090 1.00 0.00 ? 2 G A "O2'" 1 +ATOM 44 C "C1'" . G A 1 2 ? -1.579 -10.025 7.432 1.00 0.00 ? 2 G A "C1'" 1 +ATOM 45 N N9 . G A 1 2 ? -1.312 -9.336 8.709 1.00 0.00 ? 2 G A N9 1 +ATOM 46 C C8 . G A 1 2 ? -0.277 -9.531 9.587 1.00 0.00 ? 2 G A C8 1 +ATOM 47 N N7 . G A 1 2 ? -0.322 -8.752 10.632 1.00 0.00 ? 2 G A N7 1 +ATOM 48 C C5 . G A 1 2 ? -1.466 -7.987 10.433 1.00 0.00 ? 2 G A C5 1 +ATOM 49 C C6 . G A 1 2 ? -2.030 -6.962 11.242 1.00 0.00 ? 2 G A C6 1 +ATOM 50 O O6 . G A 1 2 ? -1.619 -6.522 12.314 1.00 0.00 ? 2 G A O6 1 +ATOM 51 N N1 . G A 1 2 ? -3.187 -6.446 10.679 1.00 0.00 ? 2 G A N1 1 +ATOM 52 C C2 . G A 1 2 ? -3.737 -6.859 9.486 1.00 0.00 ? 2 G A C2 1 +ATOM 53 N N2 . G A 1 2 ? -4.857 -6.251 9.095 1.00 0.00 ? 2 G A N2 1 +ATOM 54 N N3 . G A 1 2 ? -3.215 -7.819 8.719 1.00 0.00 ? 2 G A N3 1 +ATOM 55 C C4 . G A 1 2 ? -2.082 -8.336 9.255 1.00 0.00 ? 2 G A C4 1 +ATOM 56 H "H5'" . G A 1 2 ? 0.817 -13.353 6.916 1.00 0.00 ? 2 G A "H5'" 1 +ATOM 57 H "H5''" . G A 1 2 ? 1.934 -12.266 6.066 1.00 0.00 ? 2 G A "H5''" 1 +ATOM 58 H "H4'" . G A 1 2 ? -0.531 -11.947 5.546 1.00 0.00 ? 2 G A "H4'" 1 +ATOM 59 H "H3'" . G A 1 2 ? 1.160 -9.627 6.598 1.00 0.00 ? 2 G A "H3'" 1 +ATOM 60 H "H2'" . G A 1 2 ? -0.794 -8.234 6.478 1.00 0.00 ? 2 G A "H2'" 1 +ATOM 61 H "HO2'" . G A 1 2 ? -2.083 -8.521 4.827 1.00 0.00 ? 2 G A "HO2'" 1 +ATOM 62 H "H1'" . G A 1 2 ? -2.654 -10.153 7.310 1.00 0.00 ? 2 G A "H1'" 1 +ATOM 63 H H8 . G A 1 2 ? 0.508 -10.270 9.428 1.00 0.00 ? 2 G A H8 1 +ATOM 64 H H1 . G A 1 2 ? -3.657 -5.710 11.187 1.00 0.00 ? 2 G A H1 1 +ATOM 65 H H21 . G A 1 2 ? -5.303 -5.576 9.699 1.00 0.00 ? 2 G A H21 1 +ATOM 66 H H22 . G A 1 2 ? -5.261 -6.467 8.195 1.00 0.00 ? 2 G A H22 1 +ATOM 67 P P . A A 1 3 ? 1.690 -8.978 4.009 1.00 0.00 ? 3 A A P 1 +ATOM 68 O OP1 . A A 1 3 ? 2.175 -9.524 2.722 1.00 0.00 ? 3 A A OP1 1 +ATOM 69 O OP2 . A A 1 3 ? 2.655 -8.645 5.080 1.00 0.00 ? 3 A A OP2 1 +ATOM 70 O "O5'" . A A 1 3 ? 0.808 -7.667 3.700 1.00 0.00 ? 3 A A "O5'" 1 +ATOM 71 C "C5'" . A A 1 3 ? 0.000 -7.596 2.523 1.00 0.00 ? 3 A A "C5'" 1 +ATOM 72 C "C4'" . A A 1 3 ? -1.238 -6.731 2.745 1.00 0.00 ? 3 A A "C4'" 1 +ATOM 73 O "O4'" . A A 1 3 ? -1.694 -6.902 4.093 1.00 0.00 ? 3 A A "O4'" 1 +ATOM 74 C "C3'" . A A 1 3 ? -1.005 -5.237 2.619 1.00 0.00 ? 3 A A "C3'" 1 +ATOM 75 O "O3'" . A A 1 3 ? -1.302 -4.878 1.267 1.00 0.00 ? 3 A A "O3'" 1 +ATOM 76 C "C2'" . A A 1 3 ? -2.100 -4.651 3.494 1.00 0.00 ? 3 A A "C2'" 1 +ATOM 77 O "O2'" . A A 1 3 ? -3.347 -4.633 2.795 1.00 0.00 ? 3 A A "O2'" 1 +ATOM 78 C "C1'" . A A 1 3 ? -2.142 -5.652 4.644 1.00 0.00 ? 3 A A "C1'" 1 +ATOM 79 N N9 . A A 1 3 ? -1.232 -5.275 5.742 1.00 0.00 ? 3 A A N9 1 +ATOM 80 C C8 . A A 1 3 ? 0.024 -5.753 6.014 1.00 0.00 ? 3 A A C8 1 +ATOM 81 N N7 . A A 1 3 ? 0.577 -5.208 7.061 1.00 0.00 ? 3 A A N7 1 +ATOM 82 C C5 . A A 1 3 ? -0.381 -4.307 7.512 1.00 0.00 ? 3 A A C5 1 +ATOM 83 C C6 . A A 1 3 ? -0.410 -3.411 8.591 1.00 0.00 ? 3 A A C6 1 +ATOM 84 N N6 . A A 1 3 ? 0.596 -3.264 9.454 1.00 0.00 ? 3 A A N6 1 +ATOM 85 N N1 . A A 1 3 ? -1.513 -2.663 8.754 1.00 0.00 ? 3 A A N1 1 +ATOM 86 C C2 . A A 1 3 ? -2.518 -2.801 7.897 1.00 0.00 ? 3 A A C2 1 +ATOM 87 N N3 . A A 1 3 ? -2.614 -3.603 6.847 1.00 0.00 ? 3 A A N3 1 +ATOM 88 C C4 . A A 1 3 ? -1.489 -4.338 6.715 1.00 0.00 ? 3 A A C4 1 +ATOM 89 H "H5'" . A A 1 3 ? -0.311 -8.605 2.245 1.00 0.00 ? 3 A A "H5'" 1 +ATOM 90 H "H5''" . A A 1 3 ? 0.591 -7.170 1.712 1.00 0.00 ? 3 A A "H5''" 1 +ATOM 91 H "H4'" . A A 1 3 ? -2.025 -7.049 2.062 1.00 0.00 ? 3 A A "H4'" 1 +ATOM 92 H "H3'" . A A 1 3 ? -0.001 -4.928 2.914 1.00 0.00 ? 3 A A "H3'" 1 +ATOM 93 H "H2'" . A A 1 3 ? -1.832 -3.658 3.850 1.00 0.00 ? 3 A A "H2'" 1 +ATOM 94 H "HO2'" . A A 1 3 ? -3.687 -5.531 2.795 1.00 0.00 ? 3 A A "HO2'" 1 +ATOM 95 H "H1'" . A A 1 3 ? -3.154 -5.765 5.032 1.00 0.00 ? 3 A A "H1'" 1 +ATOM 96 H H8 . A A 1 3 ? 0.515 -6.515 5.409 1.00 0.00 ? 3 A A H8 1 +ATOM 97 H H61 . A A 1 3 ? 0.548 -2.552 10.169 1.00 0.00 ? 3 A A H61 1 +ATOM 98 H H62 . A A 1 3 ? 1.406 -3.864 9.393 1.00 0.00 ? 3 A A H62 1 +ATOM 99 H H2 . A A 1 3 ? -3.383 -2.165 8.083 1.00 0.00 ? 3 A A H2 1 +ATOM 100 P P . A A 1 4 ? -0.283 -3.961 0.421 1.00 0.00 ? 4 A A P 1 +ATOM 101 O OP1 . A A 1 4 ? -0.502 -4.231 -1.018 1.00 0.00 ? 4 A A OP1 1 +ATOM 102 O OP2 . A A 1 4 ? 1.069 -4.111 1.004 1.00 0.00 ? 4 A A OP2 1 +ATOM 103 O "O5'" . A A 1 4 ? -0.809 -2.474 0.740 1.00 0.00 ? 4 A A "O5'" 1 +ATOM 104 C "C5'" . A A 1 4 ? -2.164 -2.110 0.465 1.00 0.00 ? 4 A A "C5'" 1 +ATOM 105 C "C4'" . A A 1 4 ? -2.667 -1.057 1.444 1.00 0.00 ? 4 A A "C4'" 1 +ATOM 106 O "O4'" . A A 1 4 ? -2.557 -1.567 2.777 1.00 0.00 ? 4 A A "O4'" 1 +ATOM 107 C "C3'" . A A 1 4 ? -1.861 0.230 1.465 1.00 0.00 ? 4 A A "C3'" 1 +ATOM 108 O "O3'" . A A 1 4 ? -2.510 1.147 0.580 1.00 0.00 ? 4 A A "O3'" 1 +ATOM 109 C "C2'" . A A 1 4 ? -2.067 0.750 2.878 1.00 0.00 ? 4 A A "C2'" 1 +ATOM 110 O "O2'" . A A 1 4 ? -3.306 1.458 2.977 1.00 0.00 ? 4 A A "O2'" 1 +ATOM 111 C "C1'" . A A 1 4 ? -2.124 -0.544 3.688 1.00 0.00 ? 4 A A "C1'" 1 +ATOM 112 N N9 . A A 1 4 ? -0.805 -0.921 4.234 1.00 0.00 ? 4 A A N9 1 +ATOM 113 C C8 . A A 1 4 ? 0.092 -1.847 3.761 1.00 0.00 ? 4 A A C8 1 +ATOM 114 N N7 . A A 1 4 ? 1.178 -1.936 4.480 1.00 0.00 ? 4 A A N7 1 +ATOM 115 C C5 . A A 1 4 ? 0.983 -1.004 5.495 1.00 0.00 ? 4 A A C5 1 +ATOM 116 C C6 . A A 1 4 ? 1.769 -0.609 6.589 1.00 0.00 ? 4 A A C6 1 +ATOM 117 N N6 . A A 1 4 ? 2.969 -1.125 6.860 1.00 0.00 ? 4 A A N6 1 +ATOM 118 N N1 . A A 1 4 ? 1.278 0.341 7.402 1.00 0.00 ? 4 A A N1 1 +ATOM 119 C C2 . A A 1 4 ? 0.084 0.859 7.139 1.00 0.00 ? 4 A A C2 1 +ATOM 120 N N3 . A A 1 4 ? -0.748 0.576 6.149 1.00 0.00 ? 4 A A N3 1 +ATOM 121 C C4 . A A 1 4 ? -0.223 -0.380 5.354 1.00 0.00 ? 4 A A C4 1 +ATOM 122 H "H5'" . A A 1 4 ? -2.793 -2.997 0.541 1.00 0.00 ? 4 A A "H5'" 1 +ATOM 123 H "H5''" . A A 1 4 ? -2.227 -1.714 -0.548 1.00 0.00 ? 4 A A "H5''" 1 +ATOM 124 H "H4'" . A A 1 4 ? -3.715 -0.848 1.230 1.00 0.00 ? 4 A A "H4'" 1 +ATOM 125 H "H3'" . A A 1 4 ? -0.812 0.088 1.204 1.00 0.00 ? 4 A A "H3'" 1 +ATOM 126 H "H2'" . A A 1 4 ? -1.230 1.372 3.193 1.00 0.00 ? 4 A A "H2'" 1 +ATOM 127 H "HO2'" . A A 1 4 ? -3.991 0.812 3.160 1.00 0.00 ? 4 A A "HO2'" 1 +ATOM 128 H "H1'" . A A 1 4 ? -2.841 -0.461 4.505 1.00 0.00 ? 4 A A "H1'" 1 +ATOM 129 H H8 . A A 1 4 ? -0.088 -2.456 2.873 1.00 0.00 ? 4 A A H8 1 +ATOM 130 H H61 . A A 1 4 ? 3.490 -0.797 7.661 1.00 0.00 ? 4 A A H61 1 +ATOM 131 H H62 . A A 1 4 ? 3.356 -1.843 6.265 1.00 0.00 ? 4 A A H62 1 +ATOM 132 H H2 . A A 1 4 ? -0.260 1.624 7.835 1.00 0.00 ? 4 A A H2 1 +ATOM 133 P P . G A 1 5 ? -1.649 2.183 -0.302 1.00 0.00 ? 5 G A P 1 +ATOM 134 O OP1 . G A 1 5 ? -2.554 2.819 -1.285 1.00 0.00 ? 5 G A OP1 1 +ATOM 135 O OP2 . G A 1 5 ? -0.425 1.491 -0.765 1.00 0.00 ? 5 G A OP2 1 +ATOM 136 O "O5'" . G A 1 5 ? -1.221 3.294 0.781 1.00 0.00 ? 5 G A "O5'" 1 +ATOM 137 C "C5'" . G A 1 5 ? -2.213 3.953 1.572 1.00 0.00 ? 5 G A "C5'" 1 +ATOM 138 C "C4'" . G A 1 5 ? -1.593 4.675 2.764 1.00 0.00 ? 5 G A "C4'" 1 +ATOM 139 O "O4'" . G A 1 5 ? -0.970 3.726 3.620 1.00 0.00 ? 5 G A "O4'" 1 +ATOM 140 C "C3'" . G A 1 5 ? -0.468 5.630 2.417 1.00 0.00 ? 5 G A "C3'" 1 +ATOM 141 O "O3'" . G A 1 5 ? -1.058 6.921 2.246 1.00 0.00 ? 5 G A "O3'" 1 +ATOM 142 C "C2'" . G A 1 5 ? 0.374 5.689 3.692 1.00 0.00 ? 5 G A "C2'" 1 +ATOM 143 O "O2'" . G A 1 5 ? -0.022 6.802 4.497 1.00 0.00 ? 5 G A "O2'" 1 +ATOM 144 C "C1'" . G A 1 5 ? 0.040 4.370 4.406 1.00 0.00 ? 5 G A "C1'" 1 +ATOM 145 N N9 . G A 1 5 ? 1.207 3.472 4.498 1.00 0.00 ? 5 G A N9 1 +ATOM 146 C C8 . G A 1 5 ? 1.573 2.454 3.654 1.00 0.00 ? 5 G A C8 1 +ATOM 147 N N7 . G A 1 5 ? 2.664 1.839 4.016 1.00 0.00 ? 5 G A N7 1 +ATOM 148 C C5 . G A 1 5 ? 3.049 2.493 5.181 1.00 0.00 ? 5 G A C5 1 +ATOM 149 C C6 . G A 1 5 ? 4.167 2.263 6.030 1.00 0.00 ? 5 G A C6 1 +ATOM 150 O O6 . G A 1 5 ? 5.052 1.418 5.913 1.00 0.00 ? 5 G A O6 1 +ATOM 151 N N1 . G A 1 5 ? 4.187 3.144 7.099 1.00 0.00 ? 5 G A N1 1 +ATOM 152 C C2 . G A 1 5 ? 3.252 4.127 7.330 1.00 0.00 ? 5 G A C2 1 +ATOM 153 N N2 . G A 1 5 ? 3.429 4.888 8.410 1.00 0.00 ? 5 G A N2 1 +ATOM 154 N N3 . G A 1 5 ? 2.198 4.352 6.540 1.00 0.00 ? 5 G A N3 1 +ATOM 155 C C4 . G A 1 5 ? 2.162 3.498 5.487 1.00 0.00 ? 5 G A C4 1 +ATOM 156 H "H5'" . G A 1 5 ? -2.926 3.214 1.936 1.00 0.00 ? 5 G A "H5'" 1 +ATOM 157 H "H5''" . G A 1 5 ? -2.738 4.679 0.951 1.00 0.00 ? 5 G A "H5''" 1 +ATOM 158 H "H4'" . G A 1 5 ? -2.379 5.190 3.316 1.00 0.00 ? 5 G A "H4'" 1 +ATOM 159 H "H3'" . G A 1 5 ? 0.100 5.326 1.538 1.00 0.00 ? 5 G A "H3'" 1 +ATOM 160 H "H2'" . G A 1 5 ? 1.436 5.740 3.452 1.00 0.00 ? 5 G A "H2'" 1 +ATOM 161 H "HO2'" . G A 1 5 ? -0.415 6.450 5.299 1.00 0.00 ? 5 G A "HO2'" 1 +ATOM 162 H "H1'" . G A 1 5 ? -0.348 4.557 5.407 1.00 0.00 ? 5 G A "H1'" 1 +ATOM 163 H H8 . G A 1 5 ? 1.006 2.186 2.763 1.00 0.00 ? 5 G A H8 1 +ATOM 164 H H1 . G A 1 5 ? 4.949 3.052 7.756 1.00 0.00 ? 5 G A H1 1 +ATOM 165 H H21 . G A 1 5 ? 4.183 4.687 9.051 1.00 0.00 ? 5 G A H21 1 +ATOM 166 H H22 . G A 1 5 ? 2.809 5.665 8.588 1.00 0.00 ? 5 G A H22 1 +ATOM 167 P P . A A 1 6 ? -0.470 7.953 1.161 1.00 0.00 ? 6 A A P 1 +ATOM 168 O OP1 . A A 1 6 ? -1.088 7.651 -0.150 1.00 0.00 ? 6 A A OP1 1 +ATOM 169 O OP2 . A A 1 6 ? 1.003 7.977 1.295 1.00 0.00 ? 6 A A OP2 1 +ATOM 170 O "O5'" . A A 1 6 ? -1.047 9.367 1.678 1.00 0.00 ? 6 A A "O5'" 1 +ATOM 171 C "C5'" . A A 1 6 ? -1.199 9.632 3.079 1.00 0.00 ? 6 A A "C5'" 1 +ATOM 172 C "C4'" . A A 1 6 ? -0.087 10.544 3.601 1.00 0.00 ? 6 A A "C4'" 1 +ATOM 173 O "O4'" . A A 1 6 ? 0.311 10.103 4.890 1.00 0.00 ? 6 A A "O4'" 1 +ATOM 174 C "C3'" . A A 1 6 ? 1.201 10.503 2.798 1.00 0.00 ? 6 A A "C3'" 1 +ATOM 175 O "O3'" . A A 1 6 ? 1.141 11.587 1.868 1.00 0.00 ? 6 A A "O3'" 1 +ATOM 176 C "C2'" . A A 1 6 ? 2.294 10.847 3.813 1.00 0.00 ? 6 A A "C2'" 1 +ATOM 177 O "O2'" . A A 1 6 ? 2.647 12.228 3.709 1.00 0.00 ? 6 A A "O2'" 1 +ATOM 178 C "C1'" . A A 1 6 ? 1.634 10.567 5.171 1.00 0.00 ? 6 A A "C1'" 1 +ATOM 179 N N9 . A A 1 6 ? 2.343 9.524 5.935 1.00 0.00 ? 6 A A N9 1 +ATOM 180 C C8 . A A 1 6 ? 2.203 8.161 5.861 1.00 0.00 ? 6 A A C8 1 +ATOM 181 N N7 . A A 1 6 ? 2.978 7.511 6.684 1.00 0.00 ? 6 A A N7 1 +ATOM 182 C C5 . A A 1 6 ? 3.677 8.514 7.346 1.00 0.00 ? 6 A A C5 1 +ATOM 183 C C6 . A A 1 6 ? 4.659 8.486 8.349 1.00 0.00 ? 6 A A C6 1 +ATOM 184 N N6 . A A 1 6 ? 5.129 7.361 8.888 1.00 0.00 ? 6 A A N6 1 +ATOM 185 N N1 . A A 1 6 ? 5.143 9.661 8.783 1.00 0.00 ? 6 A A N1 1 +ATOM 186 C C2 . A A 1 6 ? 4.678 10.786 8.252 1.00 0.00 ? 6 A A C2 1 +ATOM 187 N N3 . A A 1 6 ? 3.761 10.946 7.309 1.00 0.00 ? 6 A A N3 1 +ATOM 188 C C4 . A A 1 6 ? 3.298 9.746 6.897 1.00 0.00 ? 6 A A C4 1 +ATOM 189 H "H5'" . A A 1 6 ? -1.170 8.690 3.628 1.00 0.00 ? 6 A A "H5'" 1 +ATOM 190 H "H5''" . A A 1 6 ? -2.168 10.106 3.246 1.00 0.00 ? 6 A A "H5''" 1 +ATOM 191 H "H4'" . A A 1 6 ? -0.460 11.568 3.674 1.00 0.00 ? 6 A A "H4'" 1 +ATOM 192 H "H3'" . A A 1 6 ? 1.365 9.550 2.296 1.00 0.00 ? 6 A A "H3'" 1 +ATOM 193 H "H2'" . A A 1 6 ? 3.167 10.210 3.670 1.00 0.00 ? 6 A A "H2'" 1 +ATOM 194 H "HO2'" . A A 1 6 ? 2.378 12.654 4.526 1.00 0.00 ? 6 A A "HO2'" 1 +ATOM 195 H "H1'" . A A 1 6 ? 1.577 11.475 5.770 1.00 0.00 ? 6 A A "H1'" 1 +ATOM 196 H H8 . A A 1 6 ? 1.510 7.669 5.178 1.00 0.00 ? 6 A A H8 1 +ATOM 197 H H61 . A A 1 6 ? 5.851 7.403 9.593 1.00 0.00 ? 6 A A H61 1 +ATOM 198 H H62 . A A 1 6 ? 4.762 6.468 8.592 1.00 0.00 ? 6 A A H62 1 +ATOM 199 H H2 . A A 1 6 ? 5.112 11.705 8.646 1.00 0.00 ? 6 A A H2 1 +ATOM 200 P P . C A 1 7 ? 1.864 11.477 0.433 1.00 0.00 ? 7 C A P 1 +ATOM 201 O OP1 . C A 1 7 ? 2.946 12.485 0.382 1.00 0.00 ? 7 C A OP1 1 +ATOM 202 O OP2 . C A 1 7 ? 0.817 11.463 -0.613 1.00 0.00 ? 7 C A OP2 1 +ATOM 203 O "O5'" . C A 1 7 ? 2.538 10.016 0.491 1.00 0.00 ? 7 C A "O5'" 1 +ATOM 204 C "C5'" . C A 1 7 ? 3.778 9.763 -0.173 1.00 0.00 ? 7 C A "C5'" 1 +ATOM 205 C "C4'" . C A 1 7 ? 4.965 10.263 0.648 1.00 0.00 ? 7 C A "C4'" 1 +ATOM 206 O "O4'" . C A 1 7 ? 4.726 9.983 2.031 1.00 0.00 ? 7 C A "O4'" 1 +ATOM 207 C "C3'" . C A 1 7 ? 6.290 9.579 0.343 1.00 0.00 ? 7 C A "C3'" 1 +ATOM 208 O "O3'" . C A 1 7 ? 6.981 10.406 -0.598 1.00 0.00 ? 7 C A "O3'" 1 +ATOM 209 C "C2'" . C A 1 7 ? 7.046 9.674 1.657 1.00 0.00 ? 7 C A "C2'" 1 +ATOM 210 O "O2'" . C A 1 7 ? 7.685 10.948 1.778 1.00 0.00 ? 7 C A "O2'" 1 +ATOM 211 C "C1'" . C A 1 7 ? 5.926 9.536 2.685 1.00 0.00 ? 7 C A "C1'" 1 +ATOM 212 N N1 . C A 1 7 ? 5.739 8.136 3.125 1.00 0.00 ? 7 C A N1 1 +ATOM 213 C C2 . C A 1 7 ? 6.677 7.610 4.000 1.00 0.00 ? 7 C A C2 1 +ATOM 214 O O2 . C A 1 7 ? 7.617 8.300 4.388 1.00 0.00 ? 7 C A O2 1 +ATOM 215 N N3 . C A 1 7 ? 6.530 6.322 4.417 1.00 0.00 ? 7 C A N3 1 +ATOM 216 C C4 . C A 1 7 ? 5.501 5.578 3.991 1.00 0.00 ? 7 C A C4 1 +ATOM 217 N N4 . C A 1 7 ? 5.413 4.324 4.436 1.00 0.00 ? 7 C A N4 1 +ATOM 218 C C5 . C A 1 7 ? 4.529 6.114 3.089 1.00 0.00 ? 7 C A C5 1 +ATOM 219 C C6 . C A 1 7 ? 4.685 7.388 2.684 1.00 0.00 ? 7 C A C6 1 +ATOM 220 H "H5'" . C A 1 7 ? 3.775 10.269 -1.138 1.00 0.00 ? 7 C A "H5'" 1 +ATOM 221 H "H5''" . C A 1 7 ? 3.880 8.690 -0.334 1.00 0.00 ? 7 C A "H5''" 1 +ATOM 222 H "H4'" . C A 1 7 ? 5.053 11.341 0.516 1.00 0.00 ? 7 C A "H4'" 1 +ATOM 223 H "H3'" . C A 1 7 ? 6.180 8.557 -0.020 1.00 0.00 ? 7 C A "H3'" 1 +ATOM 224 H "H2'" . C A 1 7 ? 7.765 8.861 1.753 1.00 0.00 ? 7 C A "H2'" 1 +ATOM 225 H "HO2'" . C A 1 7 ? 8.365 10.864 2.450 1.00 0.00 ? 7 C A "HO2'" 1 +ATOM 226 H "H1'" . C A 1 7 ? 6.117 10.164 3.555 1.00 0.00 ? 7 C A "H1'" 1 +ATOM 227 H H41 . C A 1 7 ? 6.145 3.942 5.018 1.00 0.00 ? 7 C A H41 1 +ATOM 228 H H42 . C A 1 7 ? 4.614 3.756 4.191 1.00 0.00 ? 7 C A H42 1 +ATOM 229 H H5 . C A 1 7 ? 3.687 5.519 2.738 1.00 0.00 ? 7 C A H5 1 +ATOM 230 H H6 . C A 1 7 ? 3.962 7.827 1.996 1.00 0.00 ? 7 C A H6 1 +ATOM 231 P P . C A 1 8 ? 8.022 9.761 -1.643 1.00 0.00 ? 8 C A P 1 +ATOM 232 O OP1 . C A 1 8 ? 8.270 10.748 -2.718 1.00 0.00 ? 8 C A OP1 1 +ATOM 233 O OP2 . C A 1 8 ? 7.553 8.401 -1.986 1.00 0.00 ? 8 C A OP2 1 +ATOM 234 O "O5'" . C A 1 8 ? 9.365 9.625 -0.765 1.00 0.00 ? 8 C A "O5'" 1 +ATOM 235 C "C5'" . C A 1 8 ? 10.315 10.693 -0.722 1.00 0.00 ? 8 C A "C5'" 1 +ATOM 236 C "C4'" . C A 1 8 ? 11.658 10.226 -0.171 1.00 0.00 ? 8 C A "C4'" 1 +ATOM 237 O "O4'" . C A 1 8 ? 11.484 9.783 1.179 1.00 0.00 ? 8 C A "O4'" 1 +ATOM 238 C "C3'" . C A 1 8 ? 12.255 9.024 -0.882 1.00 0.00 ? 8 C A "C3'" 1 +ATOM 239 O "O3'" . C A 1 8 ? 13.132 9.519 -1.896 1.00 0.00 ? 8 C A "O3'" 1 +ATOM 240 C "C2'" . C A 1 8 ? 13.120 8.390 0.192 1.00 0.00 ? 8 C A "C2'" 1 +ATOM 241 O "O2'" . C A 1 8 ? 14.368 9.080 0.305 1.00 0.00 ? 8 C A "O2'" 1 +ATOM 242 C "C1'" . C A 1 8 ? 12.271 8.607 1.440 1.00 0.00 ? 8 C A "C1'" 1 +ATOM 243 N N1 . C A 1 8 ? 11.351 7.474 1.691 1.00 0.00 ? 8 C A N1 1 +ATOM 244 C C2 . C A 1 8 ? 11.824 6.405 2.439 1.00 0.00 ? 8 C A C2 1 +ATOM 245 O O2 . C A 1 8 ? 12.971 6.419 2.880 1.00 0.00 ? 8 C A O2 1 +ATOM 246 N N3 . C A 1 8 ? 10.994 5.350 2.670 1.00 0.00 ? 8 C A N3 1 +ATOM 247 C C4 . C A 1 8 ? 9.745 5.345 2.184 1.00 0.00 ? 8 C A C4 1 +ATOM 248 N N4 . C A 1 8 ? 8.980 4.285 2.442 1.00 0.00 ? 8 C A N4 1 +ATOM 249 C C5 . C A 1 8 ? 9.251 6.443 1.413 1.00 0.00 ? 8 C A C5 1 +ATOM 250 C C6 . C A 1 8 ? 10.081 7.480 1.192 1.00 0.00 ? 8 C A C6 1 +ATOM 251 H "H5'" . C A 1 8 ? 9.927 11.489 -0.087 1.00 0.00 ? 8 C A "H5'" 1 +ATOM 252 H "H5''" . C A 1 8 ? 10.460 11.081 -1.731 1.00 0.00 ? 8 C A "H5''" 1 +ATOM 253 H "H4'" . C A 1 8 ? 12.356 11.064 -0.183 1.00 0.00 ? 8 C A "H4'" 1 +ATOM 254 H "H3'" . C A 1 8 ? 11.505 8.346 -1.290 1.00 0.00 ? 8 C A "H3'" 1 +ATOM 255 H "H2'" . C A 1 8 ? 13.271 7.329 0.001 1.00 0.00 ? 8 C A "H2'" 1 +ATOM 256 H "HO2'" . C A 1 8 ? 14.248 9.784 0.947 1.00 0.00 ? 8 C A "HO2'" 1 +ATOM 257 H "H1'" . C A 1 8 ? 12.898 8.779 2.316 1.00 0.00 ? 8 C A "H1'" 1 +ATOM 258 H H41 . C A 1 8 ? 9.358 3.502 2.957 1.00 0.00 ? 8 C A H41 1 +ATOM 259 H H42 . C A 1 8 ? 8.022 4.263 2.123 1.00 0.00 ? 8 C A H42 1 +ATOM 260 H H5 . C A 1 8 ? 8.237 6.449 1.013 1.00 0.00 ? 8 C A H5 1 +ATOM 261 H H6 . C A 1 8 ? 9.736 8.331 0.606 1.00 0.00 ? 8 C A H6 1 +ATOM 262 P P . G A 1 9 ? 13.438 8.638 -3.208 1.00 0.00 ? 9 G A P 1 +ATOM 263 O OP1 . G A 1 9 ? 14.157 9.490 -4.181 1.00 0.00 ? 9 G A OP1 1 +ATOM 264 O OP2 . G A 1 9 ? 12.187 7.954 -3.608 1.00 0.00 ? 9 G A OP2 1 +ATOM 265 O "O5'" . G A 1 9 ? 14.464 7.528 -2.654 1.00 0.00 ? 9 G A "O5'" 1 +ATOM 266 C "C5'" . G A 1 9 ? 15.812 7.883 -2.340 1.00 0.00 ? 9 G A "C5'" 1 +ATOM 267 C "C4'" . G A 1 9 ? 16.503 6.804 -1.512 1.00 0.00 ? 9 G A "C4'" 1 +ATOM 268 O "O4'" . G A 1 9 ? 15.595 6.300 -0.527 1.00 0.00 ? 9 G A "O4'" 1 +ATOM 269 C "C3'" . G A 1 9 ? 16.909 5.563 -2.283 1.00 0.00 ? 9 G A "C3'" 1 +ATOM 270 O "O3'" . G A 1 9 ? 18.226 5.784 -2.790 1.00 0.00 ? 9 G A "O3'" 1 +ATOM 271 C "C2'" . G A 1 9 ? 17.016 4.518 -1.186 1.00 0.00 ? 9 G A "C2'" 1 +ATOM 272 O "O2'" . G A 1 9 ? 18.259 4.644 -0.490 1.00 0.00 ? 9 G A "O2'" 1 +ATOM 273 C "C1'" . G A 1 9 ? 15.848 4.905 -0.275 1.00 0.00 ? 9 G A "C1'" 1 +ATOM 274 N N9 . G A 1 9 ? 14.628 4.135 -0.582 1.00 0.00 ? 9 G A N9 1 +ATOM 275 C C8 . G A 1 9 ? 13.478 4.559 -1.198 1.00 0.00 ? 9 G A C8 1 +ATOM 276 N N7 . G A 1 9 ? 12.581 3.623 -1.335 1.00 0.00 ? 9 G A N7 1 +ATOM 277 C C5 . G A 1 9 ? 13.177 2.501 -0.771 1.00 0.00 ? 9 G A C5 1 +ATOM 278 C C6 . G A 1 9 ? 12.677 1.177 -0.630 1.00 0.00 ? 9 G A C6 1 +ATOM 279 O O6 . G A 1 9 ? 11.589 0.731 -0.987 1.00 0.00 ? 9 G A O6 1 +ATOM 280 N N1 . G A 1 9 ? 13.595 0.348 -0.005 1.00 0.00 ? 9 G A N1 1 +ATOM 281 C C2 . G A 1 9 ? 14.841 0.737 0.432 1.00 0.00 ? 9 G A C2 1 +ATOM 282 N N2 . G A 1 9 ? 15.596 -0.195 1.014 1.00 0.00 ? 9 G A N2 1 +ATOM 283 N N3 . G A 1 9 ? 15.320 1.978 0.305 1.00 0.00 ? 9 G A N3 1 +ATOM 284 C C4 . G A 1 9 ? 14.434 2.803 -0.305 1.00 0.00 ? 9 G A C4 1 +ATOM 285 H "H5'" . G A 1 9 ? 15.811 8.817 -1.777 1.00 0.00 ? 9 G A "H5'" 1 +ATOM 286 H "H5''" . G A 1 9 ? 16.367 8.029 -3.267 1.00 0.00 ? 9 G A "H5''" 1 +ATOM 287 H "H4'" . G A 1 9 ? 17.366 7.241 -1.008 1.00 0.00 ? 9 G A "H4'" 1 +ATOM 288 H "H3'" . G A 1 9 ? 16.207 5.294 -3.072 1.00 0.00 ? 9 G A "H3'" 1 +ATOM 289 H "H2'" . G A 1 9 ? 16.886 3.513 -1.585 1.00 0.00 ? 9 G A "H2'" 1 +ATOM 290 H "HO2'" . G A 1 9 ? 18.257 5.500 -0.055 1.00 0.00 ? 9 G A "HO2'" 1 +ATOM 291 H "H1'" . G A 1 9 ? 16.109 4.768 0.774 1.00 0.00 ? 9 G A "H1'" 1 +ATOM 292 H H8 . G A 1 9 ? 13.327 5.583 -1.539 1.00 0.00 ? 9 G A H8 1 +ATOM 293 H H1 . G A 1 9 ? 13.323 -0.614 0.137 1.00 0.00 ? 9 G A H1 1 +ATOM 294 H H21 . G A 1 9 ? 15.221 -1.119 1.178 1.00 0.00 ? 9 G A H21 1 +ATOM 295 H H22 . G A 1 9 ? 16.543 0.022 1.290 1.00 0.00 ? 9 G A H22 1 +ATOM 296 P P . G A 1 10 ? 18.706 5.056 -4.144 1.00 0.00 ? 10 G A P 1 +ATOM 297 O OP1 . G A 1 10 ? 20.132 5.385 -4.366 1.00 0.00 ? 10 G A OP1 1 +ATOM 298 O OP2 . G A 1 10 ? 17.710 5.341 -5.201 1.00 0.00 ? 10 G A OP2 1 +ATOM 299 O "O5'" . G A 1 10 ? 18.601 3.496 -3.760 1.00 0.00 ? 10 G A "O5'" 1 +ATOM 300 C "C5'" . G A 1 10 ? 19.469 2.935 -2.772 1.00 0.00 ? 10 G A "C5'" 1 +ATOM 301 C "C4'" . G A 1 10 ? 19.131 1.476 -2.484 1.00 0.00 ? 10 G A "C4'" 1 +ATOM 302 O "O4'" . G A 1 10 ? 17.770 1.368 -2.064 1.00 0.00 ? 10 G A "O4'" 1 +ATOM 303 C "C3'" . G A 1 10 ? 19.207 0.551 -3.678 1.00 0.00 ? 10 G A "C3'" 1 +ATOM 304 O "O3'" . G A 1 10 ? 20.546 0.054 -3.740 1.00 0.00 ? 10 G A "O3'" 1 +ATOM 305 C "C2'" . G A 1 10 ? 18.316 -0.611 -3.263 1.00 0.00 ? 10 G A "C2'" 1 +ATOM 306 O "O2'" . G A 1 10 ? 19.055 -1.557 -2.484 1.00 0.00 ? 10 G A "O2'" 1 +ATOM 307 C "C1'" . G A 1 10 ? 17.248 0.073 -2.406 1.00 0.00 ? 10 G A "C1'" 1 +ATOM 308 N N9 . G A 1 10 ? 15.974 0.229 -3.134 1.00 0.00 ? 10 G A N9 1 +ATOM 309 C C8 . G A 1 10 ? 15.305 1.378 -3.471 1.00 0.00 ? 10 G A C8 1 +ATOM 310 N N7 . G A 1 10 ? 14.189 1.164 -4.114 1.00 0.00 ? 10 G A N7 1 +ATOM 311 C C5 . G A 1 10 ? 14.116 -0.222 -4.209 1.00 0.00 ? 10 G A C5 1 +ATOM 312 C C6 . G A 1 10 ? 13.122 -1.047 -4.807 1.00 0.00 ? 10 G A C6 1 +ATOM 313 O O6 . G A 1 10 ? 12.087 -0.706 -5.377 1.00 0.00 ? 10 G A O6 1 +ATOM 314 N N1 . G A 1 10 ? 13.433 -2.393 -4.683 1.00 0.00 ? 10 G A N1 1 +ATOM 315 C C2 . G A 1 10 ? 14.556 -2.889 -4.062 1.00 0.00 ? 10 G A C2 1 +ATOM 316 N N2 . G A 1 10 ? 14.698 -4.214 -4.034 1.00 0.00 ? 10 G A N2 1 +ATOM 317 N N3 . G A 1 10 ? 15.494 -2.125 -3.499 1.00 0.00 ? 10 G A N3 1 +ATOM 318 C C4 . G A 1 10 ? 15.206 -0.805 -3.611 1.00 0.00 ? 10 G A C4 1 +ATOM 319 H "H5'" . G A 1 10 ? 19.377 3.510 -1.851 1.00 0.00 ? 10 G A "H5'" 1 +ATOM 320 H "H5''" . G A 1 10 ? 20.497 2.997 -3.128 1.00 0.00 ? 10 G A "H5''" 1 +ATOM 321 H "H4'" . G A 1 10 ? 19.777 1.114 -1.685 1.00 0.00 ? 10 G A "H4'" 1 +ATOM 322 H "H3'" . G A 1 10 ? 18.901 1.021 -4.612 1.00 0.00 ? 10 G A "H3'" 1 +ATOM 323 H "H2'" . G A 1 10 ? 17.866 -1.083 -4.132 1.00 0.00 ? 10 G A "H2'" 1 +ATOM 324 H "HO2'" . G A 1 10 ? 18.481 -1.852 -1.774 1.00 0.00 ? 10 G A "HO2'" 1 +ATOM 325 H "H1'" . G A 1 10 ? 17.068 -0.493 -1.493 1.00 0.00 ? 10 G A "H1'" 1 +ATOM 326 H H8 . G A 1 10 ? 15.670 2.374 -3.227 1.00 0.00 ? 10 G A H8 1 +ATOM 327 H H1 . G A 1 10 ? 12.780 -3.054 -5.080 1.00 0.00 ? 10 G A H1 1 +ATOM 328 H H21 . G A 1 10 ? 14.037 -4.803 -4.521 1.00 0.00 ? 10 G A H21 1 +ATOM 329 H H22 . G A 1 10 ? 15.465 -4.630 -3.525 1.00 0.00 ? 10 G A H22 1 +ATOM 330 P P . U A 1 11 ? 21.113 -0.605 -5.095 1.00 0.00 ? 11 U A P 1 +ATOM 331 O OP1 . U A 1 11 ? 22.550 -0.268 -5.207 1.00 0.00 ? 11 U A OP1 1 +ATOM 332 O OP2 . U A 1 11 ? 20.187 -0.264 -6.198 1.00 0.00 ? 11 U A OP2 1 +ATOM 333 O "O5'" . U A 1 11 ? 20.987 -2.183 -4.799 1.00 0.00 ? 11 U A "O5'" 1 +ATOM 334 C "C5'" . U A 1 11 ? 21.918 -2.838 -3.933 1.00 0.00 ? 11 U A "C5'" 1 +ATOM 335 C "C4'" . U A 1 11 ? 21.468 -4.257 -3.600 1.00 0.00 ? 11 U A "C4'" 1 +ATOM 336 O "O4'" . U A 1 11 ? 20.113 -4.221 -3.138 1.00 0.00 ? 11 U A "O4'" 1 +ATOM 337 C "C3'" . U A 1 11 ? 21.436 -5.208 -4.785 1.00 0.00 ? 11 U A "C3'" 1 +ATOM 338 O "O3'" . U A 1 11 ? 22.682 -5.908 -4.801 1.00 0.00 ? 11 U A "O3'" 1 +ATOM 339 C "C2'" . U A 1 11 ? 20.363 -6.210 -4.397 1.00 0.00 ? 11 U A "C2'" 1 +ATOM 340 O "O2'" . U A 1 11 ? 20.894 -7.196 -3.508 1.00 0.00 ? 11 U A "O2'" 1 +ATOM 341 C "C1'" . U A 1 11 ? 19.355 -5.321 -3.672 1.00 0.00 ? 11 U A "C1'" 1 +ATOM 342 N N1 . U A 1 11 ? 18.327 -4.786 -4.591 1.00 0.00 ? 11 U A N1 1 +ATOM 343 C C2 . U A 1 11 ? 17.294 -5.630 -4.959 1.00 0.00 ? 11 U A C2 1 +ATOM 344 O O2 . U A 1 11 ? 17.207 -6.786 -4.550 1.00 0.00 ? 11 U A O2 1 +ATOM 345 N N3 . U A 1 11 ? 16.357 -5.098 -5.824 1.00 0.00 ? 11 U A N3 1 +ATOM 346 C C4 . U A 1 11 ? 16.362 -3.817 -6.343 1.00 0.00 ? 11 U A C4 1 +ATOM 347 O O4 . U A 1 11 ? 15.467 -3.460 -7.106 1.00 0.00 ? 11 U A O4 1 +ATOM 348 C C5 . U A 1 11 ? 17.470 -2.997 -5.913 1.00 0.00 ? 11 U A C5 1 +ATOM 349 C C6 . U A 1 11 ? 18.401 -3.500 -5.064 1.00 0.00 ? 11 U A C6 1 +ATOM 350 H "H5'" . U A 1 11 ? 22.008 -2.267 -3.009 1.00 0.00 ? 11 U A "H5'" 1 +ATOM 351 H "H5''" . U A 1 11 ? 22.891 -2.879 -4.423 1.00 0.00 ? 11 U A "H5''" 1 +ATOM 352 H "H4'" . U A 1 11 ? 22.104 -4.653 -2.808 1.00 0.00 ? 11 U A "H4'" 1 +ATOM 353 H "H3'" . U A 1 11 ? 21.239 -4.709 -5.735 1.00 0.00 ? 11 U A "H3'" 1 +ATOM 354 H "H2'" . U A 1 11 ? 19.917 -6.670 -5.278 1.00 0.00 ? 11 U A "H2'" 1 +ATOM 355 H "HO2'" . U A 1 11 ? 20.387 -7.150 -2.694 1.00 0.00 ? 11 U A "HO2'" 1 +ATOM 356 H "H1'" . U A 1 11 ? 18.873 -5.859 -2.856 1.00 0.00 ? 11 U A "H1'" 1 +ATOM 357 H H3 . U A 1 11 ? 15.597 -5.701 -6.102 1.00 0.00 ? 11 U A H3 1 +ATOM 358 H H5 . U A 1 11 ? 17.557 -1.971 -6.269 1.00 0.00 ? 11 U A H5 1 +ATOM 359 H H6 . U A 1 11 ? 19.230 -2.865 -4.747 1.00 0.00 ? 11 U A H6 1 +ATOM 360 P P . C A 1 12 ? 23.356 -6.341 -6.198 1.00 0.00 ? 12 C A P 1 +ATOM 361 O OP1 . C A 1 12 ? 24.605 -7.077 -5.903 1.00 0.00 ? 12 C A OP1 1 +ATOM 362 O OP2 . C A 1 12 ? 23.390 -5.155 -7.083 1.00 0.00 ? 12 C A OP2 1 +ATOM 363 O "O5'" . C A 1 12 ? 22.285 -7.384 -6.796 1.00 0.00 ? 12 C A "O5'" 1 +ATOM 364 C "C5'" . C A 1 12 ? 22.249 -8.735 -6.328 1.00 0.00 ? 12 C A "C5'" 1 +ATOM 365 C "C4'" . C A 1 12 ? 21.182 -9.551 -7.049 1.00 0.00 ? 12 C A "C4'" 1 +ATOM 366 O "O4'" . C A 1 12 ? 19.897 -8.987 -6.787 1.00 0.00 ? 12 C A "O4'" 1 +ATOM 367 C "C3'" . C A 1 12 ? 21.277 -9.531 -8.561 1.00 0.00 ? 12 C A "C3'" 1 +ATOM 368 O "O3'" . C A 1 12 ? 22.101 -10.633 -8.951 1.00 0.00 ? 12 C A "O3'" 1 +ATOM 369 C "C2'" . C A 1 12 ? 19.857 -9.857 -8.999 1.00 0.00 ? 12 C A "C2'" 1 +ATOM 370 O "O2'" . C A 1 12 ? 19.650 -11.273 -9.013 1.00 0.00 ? 12 C A "O2'" 1 +ATOM 371 C "C1'" . C A 1 12 ? 19.013 -9.203 -7.900 1.00 0.00 ? 12 C A "C1'" 1 +ATOM 372 N N1 . C A 1 12 ? 18.463 -7.896 -8.326 1.00 0.00 ? 12 C A N1 1 +ATOM 373 C C2 . C A 1 12 ? 17.228 -7.885 -8.962 1.00 0.00 ? 12 C A C2 1 +ATOM 374 O O2 . C A 1 12 ? 16.622 -8.937 -9.152 1.00 0.00 ? 12 C A O2 1 +ATOM 375 N N3 . C A 1 12 ? 16.710 -6.692 -9.366 1.00 0.00 ? 12 C A N3 1 +ATOM 376 C C4 . C A 1 12 ? 17.379 -5.551 -9.155 1.00 0.00 ? 12 C A C4 1 +ATOM 377 N N4 . C A 1 12 ? 16.821 -4.416 -9.574 1.00 0.00 ? 12 C A N4 1 +ATOM 378 C C5 . C A 1 12 ? 18.651 -5.554 -8.501 1.00 0.00 ? 12 C A C5 1 +ATOM 379 C C6 . C A 1 12 ? 19.152 -6.739 -8.105 1.00 0.00 ? 12 C A C6 1 +ATOM 380 H "H5'" . C A 1 12 ? 22.035 -8.735 -5.259 1.00 0.00 ? 12 C A "H5'" 1 +ATOM 381 H "H5''" . C A 1 12 ? 23.223 -9.195 -6.496 1.00 0.00 ? 12 C A "H5''" 1 +ATOM 382 H "H4'" . C A 1 12 ? 21.205 -10.575 -6.675 1.00 0.00 ? 12 C A "H4'" 1 +ATOM 383 H "H3'" . C A 1 12 ? 21.647 -8.586 -8.957 1.00 0.00 ? 12 C A "H3'" 1 +ATOM 384 H "H2'" . C A 1 12 ? 19.638 -9.418 -9.972 1.00 0.00 ? 12 C A "H2'" 1 +ATOM 385 H "HO2'" . C A 1 12 ? 19.440 -11.540 -8.115 1.00 0.00 ? 12 C A "HO2'" 1 +ATOM 386 H "H1'" . C A 1 12 ? 18.201 -9.863 -7.587 1.00 0.00 ? 12 C A "H1'" 1 +ATOM 387 H H41 . C A 1 12 ? 15.949 -4.440 -10.084 1.00 0.00 ? 12 C A H41 1 +ATOM 388 H H42 . C A 1 12 ? 17.270 -3.531 -9.383 1.00 0.00 ? 12 C A H42 1 +ATOM 389 H H5 . C A 1 12 ? 19.204 -4.631 -8.324 1.00 0.00 ? 12 C A H5 1 +ATOM 390 H H6 . C A 1 12 ? 20.121 -6.776 -7.607 1.00 0.00 ? 12 C A H6 1 +ATOM 391 P P . U A 1 13 ? 23.244 -10.445 -10.071 1.00 0.00 ? 13 U A P 1 +ATOM 392 O OP1 . U A 1 13 ? 23.852 -11.767 -10.338 1.00 0.00 ? 13 U A OP1 1 +ATOM 393 O OP2 . U A 1 13 ? 24.100 -9.306 -9.671 1.00 0.00 ? 13 U A OP2 1 +ATOM 394 O "O5'" . U A 1 13 ? 22.398 -10.008 -11.370 1.00 0.00 ? 13 U A "O5'" 1 +ATOM 395 C "C5'" . U A 1 13 ? 21.876 -10.994 -12.265 1.00 0.00 ? 13 U A "C5'" 1 +ATOM 396 C "C4'" . U A 1 13 ? 20.578 -10.524 -12.919 1.00 0.00 ? 13 U A "C4'" 1 +ATOM 397 O "O4'" . U A 1 13 ? 19.858 -9.711 -11.988 1.00 0.00 ? 13 U A "O4'" 1 +ATOM 398 C "C3'" . U A 1 13 ? 20.763 -9.632 -14.135 1.00 0.00 ? 13 U A "C3'" 1 +ATOM 399 O "O3'" . U A 1 13 ? 20.692 -10.472 -15.293 1.00 0.00 ? 13 U A "O3'" 1 +ATOM 400 C "C2'" . U A 1 13 ? 19.504 -8.780 -14.139 1.00 0.00 ? 13 U A "C2'" 1 +ATOM 401 O "O2'" . U A 1 13 ? 18.434 -9.470 -14.790 1.00 0.00 ? 13 U A "O2'" 1 +ATOM 402 C "C1'" . U A 1 13 ? 19.207 -8.615 -12.651 1.00 0.00 ? 13 U A "C1'" 1 +ATOM 403 N N1 . U A 1 13 ? 19.746 -7.344 -12.119 1.00 0.00 ? 13 U A N1 1 +ATOM 404 C C2 . U A 1 13 ? 18.979 -6.200 -12.277 1.00 0.00 ? 13 U A C2 1 +ATOM 405 O O2 . U A 1 13 ? 17.880 -6.211 -12.832 1.00 0.00 ? 13 U A O2 1 +ATOM 406 N N3 . U A 1 13 ? 19.523 -5.033 -11.777 1.00 0.00 ? 13 U A N3 1 +ATOM 407 C C4 . U A 1 13 ? 20.745 -4.911 -11.143 1.00 0.00 ? 13 U A C4 1 +ATOM 408 O O4 . U A 1 13 ? 21.122 -3.812 -10.740 1.00 0.00 ? 13 U A O4 1 +ATOM 409 C C5 . U A 1 13 ? 21.485 -6.146 -11.016 1.00 0.00 ? 13 U A C5 1 +ATOM 410 C C6 . U A 1 13 ? 20.968 -7.303 -11.501 1.00 0.00 ? 13 U A C6 1 +ATOM 411 H "H5'" . U A 1 13 ? 21.686 -11.913 -11.707 1.00 0.00 ? 13 U A "H5'" 1 +ATOM 412 H "H5''" . U A 1 13 ? 22.613 -11.196 -13.042 1.00 0.00 ? 13 U A "H5''" 1 +ATOM 413 H "H4'" . U A 1 13 ? 19.971 -11.394 -13.174 1.00 0.00 ? 13 U A "H4'" 1 +ATOM 414 H "H3'" . U A 1 13 ? 21.683 -9.048 -14.110 1.00 0.00 ? 13 U A "H3'" 1 +ATOM 415 H "H2'" . U A 1 13 ? 19.691 -7.815 -14.604 1.00 0.00 ? 13 U A "H2'" 1 +ATOM 416 H "HO2'" . U A 1 13 ? 18.064 -10.088 -14.155 1.00 0.00 ? 13 U A "HO2'" 1 +ATOM 417 H "H1'" . U A 1 13 ? 18.133 -8.668 -12.460 1.00 0.00 ? 13 U A "H1'" 1 +ATOM 418 H H3 . U A 1 13 ? 18.978 -4.190 -11.884 1.00 0.00 ? 13 U A H3 1 +ATOM 419 H H5 . U A 1 13 ? 22.461 -6.148 -10.530 1.00 0.00 ? 13 U A H5 1 +ATOM 420 H H6 . U A 1 13 ? 21.543 -8.223 -11.403 1.00 0.00 ? 13 U A H6 1 +ATOM 421 P P . U A 1 14 ? 22.024 -10.905 -16.093 1.00 0.00 ? 14 U A P 1 +ATOM 422 O OP1 . U A 1 14 ? 21.650 -11.921 -17.101 1.00 0.00 ? 14 U A OP1 1 +ATOM 423 O OP2 . U A 1 14 ? 23.078 -11.210 -15.099 1.00 0.00 ? 14 U A OP2 1 +ATOM 424 O "O5'" . U A 1 14 ? 22.440 -9.552 -16.867 1.00 0.00 ? 14 U A "O5'" 1 +ATOM 425 C "C5'" . U A 1 14 ? 21.447 -8.679 -17.418 1.00 0.00 ? 14 U A "C5'" 1 +ATOM 426 C "C4'" . U A 1 14 ? 21.042 -9.077 -18.836 1.00 0.00 ? 14 U A "C4'" 1 +ATOM 427 O "O4'" . U A 1 14 ? 20.788 -10.488 -18.876 1.00 0.00 ? 14 U A "O4'" 1 +ATOM 428 C "C3'" . U A 1 14 ? 19.752 -8.418 -19.321 1.00 0.00 ? 14 U A "C3'" 1 +ATOM 429 O "O3'" . U A 1 14 ? 19.863 -8.229 -20.732 1.00 0.00 ? 14 U A "O3'" 1 +ATOM 430 C "C2'" . U A 1 14 ? 18.682 -9.474 -19.091 1.00 0.00 ? 14 U A "C2'" 1 +ATOM 431 O "O2'" . U A 1 14 ? 17.630 -9.339 -20.050 1.00 0.00 ? 14 U A "O2'" 1 +ATOM 432 C "C1'" . U A 1 14 ? 19.455 -10.763 -19.322 1.00 0.00 ? 14 U A "C1'" 1 +ATOM 433 N N1 . U A 1 14 ? 18.916 -11.889 -18.516 1.00 0.00 ? 14 U A N1 1 +ATOM 434 C C2 . U A 1 14 ? 18.371 -12.979 -19.182 1.00 0.00 ? 14 U A C2 1 +ATOM 435 O O2 . U A 1 14 ? 18.316 -13.042 -20.408 1.00 0.00 ? 14 U A O2 1 +ATOM 436 N N3 . U A 1 14 ? 17.887 -13.997 -18.383 1.00 0.00 ? 14 U A N3 1 +ATOM 437 C C4 . U A 1 14 ? 17.899 -14.023 -17.001 1.00 0.00 ? 14 U A C4 1 +ATOM 438 O O4 . U A 1 14 ? 17.439 -14.991 -16.400 1.00 0.00 ? 14 U A O4 1 +ATOM 439 C C5 . U A 1 14 ? 18.480 -12.855 -16.381 1.00 0.00 ? 14 U A C5 1 +ATOM 440 C C6 . U A 1 14 ? 18.961 -11.845 -17.147 1.00 0.00 ? 14 U A C6 1 +ATOM 441 H "H5'" . U A 1 14 ? 21.844 -7.665 -17.439 1.00 0.00 ? 14 U A "H5'" 1 +ATOM 442 H "H5''" . U A 1 14 ? 20.564 -8.700 -16.780 1.00 0.00 ? 14 U A "H5''" 1 +ATOM 443 H "H4'" . U A 1 14 ? 21.864 -8.848 -19.514 1.00 0.00 ? 14 U A "H4'" 1 +ATOM 444 H "H3'" . U A 1 14 ? 19.540 -7.481 -18.815 1.00 0.00 ? 14 U A "H3'" 1 +ATOM 445 H "H2'" . U A 1 14 ? 18.297 -9.425 -18.073 1.00 0.00 ? 14 U A "H2'" 1 +ATOM 446 H "HO2'" . U A 1 14 ? 17.024 -10.071 -19.914 1.00 0.00 ? 14 U A "HO2'" 1 +ATOM 447 H "H1'" . U A 1 14 ? 19.476 -11.022 -20.384 1.00 0.00 ? 14 U A "H1'" 1 +ATOM 448 H H3 . U A 1 14 ? 17.488 -14.797 -18.852 1.00 0.00 ? 14 U A H3 1 +ATOM 449 H H5 . U A 1 14 ? 18.533 -12.786 -15.295 1.00 0.00 ? 14 U A H5 1 +ATOM 450 H H6 . U A 1 14 ? 19.396 -10.973 -16.659 1.00 0.00 ? 14 U A H6 1 +ATOM 451 P P . C A 1 15 ? 19.279 -6.891 -21.417 1.00 0.00 ? 15 C A P 1 +ATOM 452 O OP1 . C A 1 15 ? 18.436 -7.289 -22.566 1.00 0.00 ? 15 C A OP1 1 +ATOM 453 O OP2 . C A 1 15 ? 20.401 -5.947 -21.618 1.00 0.00 ? 15 C A OP2 1 +ATOM 454 O "O5'" . C A 1 15 ? 18.314 -6.293 -20.267 1.00 0.00 ? 15 C A "O5'" 1 +ATOM 455 C "C5'" . C A 1 15 ? 16.937 -6.682 -20.202 1.00 0.00 ? 15 C A "C5'" 1 +ATOM 456 C "C4'" . C A 1 15 ? 16.141 -5.837 -19.203 1.00 0.00 ? 15 C A "C4'" 1 +ATOM 457 O "O4'" . C A 1 15 ? 16.843 -5.775 -17.953 1.00 0.00 ? 15 C A "O4'" 1 +ATOM 458 C "C3'" . C A 1 15 ? 15.940 -4.382 -19.611 1.00 0.00 ? 15 C A "C3'" 1 +ATOM 459 O "O3'" . C A 1 15 ? 14.702 -3.963 -19.032 1.00 0.00 ? 15 C A "O3'" 1 +ATOM 460 C "C2'" . C A 1 15 ? 17.035 -3.635 -18.872 1.00 0.00 ? 15 C A "C2'" 1 +ATOM 461 O "O2'" . C A 1 15 ? 16.654 -2.277 -18.641 1.00 0.00 ? 15 C A "O2'" 1 +ATOM 462 C "C1'" . C A 1 15 ? 17.076 -4.409 -17.569 1.00 0.00 ? 15 C A "C1'" 1 +ATOM 463 N N1 . C A 1 15 ? 18.383 -4.314 -16.892 1.00 0.00 ? 15 C A N1 1 +ATOM 464 C C2 . C A 1 15 ? 18.825 -3.058 -16.507 1.00 0.00 ? 15 C A C2 1 +ATOM 465 O O2 . C A 1 15 ? 18.135 -2.066 -16.729 1.00 0.00 ? 15 C A O2 1 +ATOM 466 N N3 . C A 1 15 ? 20.030 -2.954 -15.881 1.00 0.00 ? 15 C A N3 1 +ATOM 467 C C4 . C A 1 15 ? 20.771 -4.045 -15.642 1.00 0.00 ? 15 C A C4 1 +ATOM 468 N N4 . C A 1 15 ? 21.943 -3.883 -15.027 1.00 0.00 ? 15 C A N4 1 +ATOM 469 C C5 . C A 1 15 ? 20.316 -5.342 -16.037 1.00 0.00 ? 15 C A C5 1 +ATOM 470 C C6 . C A 1 15 ? 19.124 -5.425 -16.655 1.00 0.00 ? 15 C A C6 1 +ATOM 471 H "H5'" . C A 1 15 ? 16.878 -7.728 -19.904 1.00 0.00 ? 15 C A "H5'" 1 +ATOM 472 H "H5''" . C A 1 15 ? 16.492 -6.571 -21.191 1.00 0.00 ? 15 C A "H5''" 1 +ATOM 473 H "H4'" . C A 1 15 ? 15.177 -6.317 -19.038 1.00 0.00 ? 15 C A "H4'" 1 +ATOM 474 H "H3'" . C A 1 15 ? 15.964 -4.229 -20.686 1.00 0.00 ? 15 C A "H3'" 1 +ATOM 475 H "H2'" . C A 1 15 ? 17.986 -3.699 -19.401 1.00 0.00 ? 15 C A "H2'" 1 +ATOM 476 H "HO2'" . C A 1 15 ? 17.442 -1.799 -18.373 1.00 0.00 ? 15 C A "HO2'" 1 +ATOM 477 H "H1'" . C A 1 15 ? 16.289 -4.081 -16.890 1.00 0.00 ? 15 C A "H1'" 1 +ATOM 478 H H41 . C A 1 15 ? 22.218 -2.969 -14.698 1.00 0.00 ? 15 C A H41 1 +ATOM 479 H H42 . C A 1 15 ? 22.555 -4.675 -14.890 1.00 0.00 ? 15 C A H42 1 +ATOM 480 H H5 . C A 1 15 ? 20.906 -6.237 -15.844 1.00 0.00 ? 15 C A H5 1 +ATOM 481 H H6 . C A 1 15 ? 18.742 -6.391 -16.975 1.00 0.00 ? 15 C A H6 1 +ATOM 482 P P . G A 1 16 ? 13.499 -3.420 -19.950 1.00 0.00 ? 16 G A P 1 +ATOM 483 O OP1 . G A 1 16 ? 13.176 -4.457 -20.955 1.00 0.00 ? 16 G A OP1 1 +ATOM 484 O OP2 . G A 1 16 ? 13.833 -2.046 -20.388 1.00 0.00 ? 16 G A OP2 1 +ATOM 485 O "O5'" . G A 1 16 ? 12.279 -3.334 -18.902 1.00 0.00 ? 16 G A "O5'" 1 +ATOM 486 C "C5'" . G A 1 16 ? 12.272 -4.147 -17.724 1.00 0.00 ? 16 G A "C5'" 1 +ATOM 487 C "C4'" . G A 1 16 ? 11.558 -5.476 -17.969 1.00 0.00 ? 16 G A "C4'" 1 +ATOM 488 O "O4'" . G A 1 16 ? 12.522 -6.502 -18.212 1.00 0.00 ? 16 G A "O4'" 1 +ATOM 489 C "C3'" . G A 1 16 ? 10.765 -6.024 -16.798 1.00 0.00 ? 16 G A "C3'" 1 +ATOM 490 O "O3'" . G A 1 16 ? 9.452 -5.463 -16.870 1.00 0.00 ? 16 G A "O3'" 1 +ATOM 491 C "C2'" . G A 1 16 ? 10.646 -7.501 -17.143 1.00 0.00 ? 16 G A "C2'" 1 +ATOM 492 O "O2'" . G A 1 16 ? 9.561 -7.719 -18.049 1.00 0.00 ? 16 G A "O2'" 1 +ATOM 493 C "C1'" . G A 1 16 ? 11.986 -7.782 -17.834 1.00 0.00 ? 16 G A "C1'" 1 +ATOM 494 N N9 . G A 1 16 ? 12.939 -8.473 -16.942 1.00 0.00 ? 16 G A N9 1 +ATOM 495 C C8 . G A 1 16 ? 13.104 -9.822 -16.768 1.00 0.00 ? 16 G A C8 1 +ATOM 496 N N7 . G A 1 16 ? 14.026 -10.132 -15.903 1.00 0.00 ? 16 G A N7 1 +ATOM 497 C C5 . G A 1 16 ? 14.509 -8.904 -15.471 1.00 0.00 ? 16 G A C5 1 +ATOM 498 C C6 . G A 1 16 ? 15.528 -8.612 -14.525 1.00 0.00 ? 16 G A C6 1 +ATOM 499 O O6 . G A 1 16 ? 16.213 -9.398 -13.875 1.00 0.00 ? 16 G A O6 1 +ATOM 500 N N1 . G A 1 16 ? 15.710 -7.248 -14.375 1.00 0.00 ? 16 G A N1 1 +ATOM 501 C C2 . G A 1 16 ? 15.004 -6.279 -15.049 1.00 0.00 ? 16 G A C2 1 +ATOM 502 N N2 . G A 1 16 ? 15.316 -5.013 -14.776 1.00 0.00 ? 16 G A N2 1 +ATOM 503 N N3 . G A 1 16 ? 14.042 -6.540 -15.942 1.00 0.00 ? 16 G A N3 1 +ATOM 504 C C4 . G A 1 16 ? 13.850 -7.874 -16.101 1.00 0.00 ? 16 G A C4 1 +ATOM 505 H "H5'" . G A 1 16 ? 11.766 -3.606 -16.924 1.00 0.00 ? 16 G A "H5'" 1 +ATOM 506 H "H5''" . G A 1 16 ? 13.301 -4.346 -17.425 1.00 0.00 ? 16 G A "H5''" 1 +ATOM 507 H "H4'" . G A 1 16 ? 10.921 -5.377 -18.848 1.00 0.00 ? 16 G A "H4'" 1 +ATOM 508 H "H3'" . G A 1 16 ? 11.235 -5.840 -15.833 1.00 0.00 ? 16 G A "H3'" 1 +ATOM 509 H "H2'" . G A 1 16 ? 10.535 -8.105 -16.243 1.00 0.00 ? 16 G A "H2'" 1 +ATOM 510 H "HO2'" . G A 1 16 ? 9.937 -7.817 -18.927 1.00 0.00 ? 16 G A "HO2'" 1 +ATOM 511 H "H1'" . G A 1 16 ? 11.838 -8.384 -18.730 1.00 0.00 ? 16 G A "H1'" 1 +ATOM 512 H H8 . G A 1 16 ? 12.514 -10.566 -17.301 1.00 0.00 ? 16 G A H8 1 +ATOM 513 H H1 . G A 1 16 ? 16.417 -6.949 -13.720 1.00 0.00 ? 16 G A H1 1 +ATOM 514 H H21 . G A 1 16 ? 16.082 -4.806 -14.150 1.00 0.00 ? 16 G A H21 1 +ATOM 515 H H22 . G A 1 16 ? 14.787 -4.261 -15.194 1.00 0.00 ? 16 G A H22 1 +ATOM 516 P P . G A 1 17 ? 9.028 -4.257 -15.891 1.00 0.00 ? 17 G A P 1 +ATOM 517 O OP1 . G A 1 17 ? 8.122 -3.355 -16.636 1.00 0.00 ? 17 G A OP1 1 +ATOM 518 O OP2 . G A 1 17 ? 10.255 -3.717 -15.264 1.00 0.00 ? 17 G A OP2 1 +ATOM 519 O "O5'" . G A 1 17 ? 8.168 -5.006 -14.751 1.00 0.00 ? 17 G A "O5'" 1 +ATOM 520 C "C5'" . G A 1 17 ? 7.496 -6.244 -15.018 1.00 0.00 ? 17 G A "C5'" 1 +ATOM 521 C "C4'" . G A 1 17 ? 8.137 -7.409 -14.268 1.00 0.00 ? 17 G A "C4'" 1 +ATOM 522 O "O4'" . G A 1 17 ? 9.532 -7.472 -14.579 1.00 0.00 ? 17 G A "O4'" 1 +ATOM 523 C "C3'" . G A 1 17 ? 8.111 -7.288 -12.756 1.00 0.00 ? 17 G A "C3'" 1 +ATOM 524 O "O3'" . G A 1 17 ? 6.906 -7.907 -12.296 1.00 0.00 ? 17 G A "O3'" 1 +ATOM 525 C "C2'" . G A 1 17 ? 9.265 -8.179 -12.330 1.00 0.00 ? 17 G A "C2'" 1 +ATOM 526 O "O2'" . G A 1 17 ? 8.867 -9.552 -12.326 1.00 0.00 ? 17 G A "O2'" 1 +ATOM 527 C "C1'" . G A 1 17 ? 10.286 -7.920 -13.437 1.00 0.00 ? 17 G A "C1'" 1 +ATOM 528 N N9 . G A 1 17 ? 11.254 -6.871 -13.065 1.00 0.00 ? 17 G A N9 1 +ATOM 529 C C8 . G A 1 17 ? 11.136 -5.513 -13.201 1.00 0.00 ? 17 G A C8 1 +ATOM 530 N N7 . G A 1 17 ? 12.173 -4.850 -12.771 1.00 0.00 ? 17 G A N7 1 +ATOM 531 C C5 . G A 1 17 ? 13.040 -5.838 -12.318 1.00 0.00 ? 17 G A C5 1 +ATOM 532 C C6 . G A 1 17 ? 14.333 -5.721 -11.739 1.00 0.00 ? 17 G A C6 1 +ATOM 533 O O6 . G A 1 17 ? 14.976 -4.699 -11.510 1.00 0.00 ? 17 G A O6 1 +ATOM 534 N N1 . G A 1 17 ? 14.865 -6.961 -11.422 1.00 0.00 ? 17 G A N1 1 +ATOM 535 C C2 . G A 1 17 ? 14.238 -8.167 -11.634 1.00 0.00 ? 17 G A C2 1 +ATOM 536 N N2 . G A 1 17 ? 14.899 -9.265 -11.266 1.00 0.00 ? 17 G A N2 1 +ATOM 537 N N3 . G A 1 17 ? 13.023 -8.289 -12.178 1.00 0.00 ? 17 G A N3 1 +ATOM 538 C C4 . G A 1 17 ? 12.487 -7.084 -12.494 1.00 0.00 ? 17 G A C4 1 +ATOM 539 H "H5'" . G A 1 17 ? 7.529 -6.451 -16.089 1.00 0.00 ? 17 G A "H5'" 1 +ATOM 540 H "H5''" . G A 1 17 ? 6.455 -6.155 -14.708 1.00 0.00 ? 17 G A "H5''" 1 +ATOM 541 H "H4'" . G A 1 17 ? 7.661 -8.337 -14.586 1.00 0.00 ? 17 G A "H4'" 1 +ATOM 542 H "H3'" . G A 1 17 ? 8.201 -6.261 -12.401 1.00 0.00 ? 17 G A "H3'" 1 +ATOM 543 H "H2'" . G A 1 17 ? 9.657 -7.878 -11.361 1.00 0.00 ? 17 G A "H2'" 1 +ATOM 544 H "HO2'" . G A 1 17 ? 7.928 -9.576 -12.130 1.00 0.00 ? 17 G A "HO2'" 1 +ATOM 545 H "H1'" . G A 1 17 ? 10.823 -8.833 -13.691 1.00 0.00 ? 17 G A "H1'" 1 +ATOM 546 H H8 . G A 1 17 ? 10.256 -5.032 -13.626 1.00 0.00 ? 17 G A H8 1 +ATOM 547 H H1 . G A 1 17 ? 15.784 -6.973 -11.005 1.00 0.00 ? 17 G A H1 1 +ATOM 548 H H21 . G A 1 17 ? 15.835 -9.189 -10.894 1.00 0.00 ? 17 G A H21 1 +ATOM 549 H H22 . G A 1 17 ? 14.465 -10.172 -11.360 1.00 0.00 ? 17 G A H22 1 +ATOM 550 P P . A A 1 18 ? 6.236 -7.454 -10.903 1.00 0.00 ? 18 A A P 1 +ATOM 551 O OP1 . A A 1 18 ? 4.893 -8.070 -10.814 1.00 0.00 ? 18 A A OP1 1 +ATOM 552 O OP2 . A A 1 18 ? 6.384 -5.987 -10.773 1.00 0.00 ? 18 A A OP2 1 +ATOM 553 O "O5'" . A A 1 18 ? 7.187 -8.156 -9.809 1.00 0.00 ? 18 A A "O5'" 1 +ATOM 554 C "C5'" . A A 1 18 ? 7.052 -9.551 -9.522 1.00 0.00 ? 18 A A "C5'" 1 +ATOM 555 C "C4'" . A A 1 18 ? 7.957 -9.983 -8.372 1.00 0.00 ? 18 A A "C4'" 1 +ATOM 556 O "O4'" . A A 1 18 ? 9.325 -9.906 -8.788 1.00 0.00 ? 18 A A "O4'" 1 +ATOM 557 C "C3'" . A A 1 18 ? 7.901 -9.098 -7.140 1.00 0.00 ? 18 A A "C3'" 1 +ATOM 558 O "O3'" . A A 1 18 ? 6.903 -9.641 -6.271 1.00 0.00 ? 18 A A "O3'" 1 +ATOM 559 C "C2'" . A A 1 18 ? 9.249 -9.350 -6.486 1.00 0.00 ? 18 A A "C2'" 1 +ATOM 560 O "O2'" . A A 1 18 ? 9.225 -10.568 -5.738 1.00 0.00 ? 18 A A "O2'" 1 +ATOM 561 C "C1'" . A A 1 18 ? 10.166 -9.485 -7.699 1.00 0.00 ? 18 A A "C1'" 1 +ATOM 562 N N9 . A A 1 18 ? 10.808 -8.207 -8.061 1.00 0.00 ? 18 A A N9 1 +ATOM 563 C C8 . A A 1 18 ? 10.290 -7.159 -8.780 1.00 0.00 ? 18 A A C8 1 +ATOM 564 N N7 . A A 1 18 ? 11.121 -6.164 -8.925 1.00 0.00 ? 18 A A N7 1 +ATOM 565 C C5 . A A 1 18 ? 12.265 -6.585 -8.256 1.00 0.00 ? 18 A A C5 1 +ATOM 566 C C6 . A A 1 18 ? 13.515 -5.984 -8.040 1.00 0.00 ? 18 A A C6 1 +ATOM 567 N N6 . A A 1 18 ? 13.839 -4.774 -8.494 1.00 0.00 ? 18 A A N6 1 +ATOM 568 N N1 . A A 1 18 ? 14.426 -6.674 -7.334 1.00 0.00 ? 18 A A N1 1 +ATOM 569 C C2 . A A 1 18 ? 14.111 -7.880 -6.877 1.00 0.00 ? 18 A A C2 1 +ATOM 570 N N3 . A A 1 18 ? 12.977 -8.551 -7.012 1.00 0.00 ? 18 A A N3 1 +ATOM 571 C C4 . A A 1 18 ? 12.085 -7.829 -7.725 1.00 0.00 ? 18 A A C4 1 +ATOM 572 H "H5'" . A A 1 18 ? 7.313 -10.122 -10.413 1.00 0.00 ? 18 A A "H5'" 1 +ATOM 573 H "H5''" . A A 1 18 ? 6.016 -9.760 -9.257 1.00 0.00 ? 18 A A "H5''" 1 +ATOM 574 H "H4'" . A A 1 18 ? 7.725 -11.016 -8.111 1.00 0.00 ? 18 A A "H4'" 1 +ATOM 575 H "H3'" . A A 1 18 ? 7.717 -8.048 -7.367 1.00 0.00 ? 18 A A "H3'" 1 +ATOM 576 H "H2'" . A A 1 18 ? 9.549 -8.510 -5.863 1.00 0.00 ? 18 A A "H2'" 1 +ATOM 577 H "HO2'" . A A 1 18 ? 9.740 -11.214 -6.227 1.00 0.00 ? 18 A A "HO2'" 1 +ATOM 578 H "H1'" . A A 1 18 ? 10.933 -10.235 -7.522 1.00 0.00 ? 18 A A "H1'" 1 +ATOM 579 H H8 . A A 1 18 ? 9.281 -7.157 -9.191 1.00 0.00 ? 18 A A H8 1 +ATOM 580 H H61 . A A 1 18 ? 14.776 -4.419 -8.363 1.00 0.00 ? 18 A A H61 1 +ATOM 581 H H62 . A A 1 18 ? 13.148 -4.211 -8.970 1.00 0.00 ? 18 A A H62 1 +ATOM 582 H H2 . A A 1 18 ? 14.893 -8.387 -6.312 1.00 0.00 ? 18 A A H2 1 +ATOM 583 P P . C A 1 19 ? 6.132 -8.693 -5.222 1.00 0.00 ? 19 C A P 1 +ATOM 584 O OP1 . C A 1 19 ? 5.094 -9.502 -4.544 1.00 0.00 ? 19 C A OP1 1 +ATOM 585 O OP2 . C A 1 19 ? 5.755 -7.443 -5.917 1.00 0.00 ? 19 C A OP2 1 +ATOM 586 O "O5'" . C A 1 19 ? 7.281 -8.346 -4.149 1.00 0.00 ? 19 C A "O5'" 1 +ATOM 587 C "C5'" . C A 1 19 ? 7.783 -9.358 -3.271 1.00 0.00 ? 19 C A "C5'" 1 +ATOM 588 C "C4'" . C A 1 19 ? 9.218 -9.065 -2.839 1.00 0.00 ? 19 C A "C4'" 1 +ATOM 589 O "O4'" . C A 1 19 ? 9.926 -8.468 -3.929 1.00 0.00 ? 19 C A "O4'" 1 +ATOM 590 C "C3'" . C A 1 19 ? 9.353 -8.049 -1.720 1.00 0.00 ? 19 C A "C3'" 1 +ATOM 591 O "O3'" . C A 1 19 ? 9.358 -8.772 -0.487 1.00 0.00 ? 19 C A "O3'" 1 +ATOM 592 C "C2'" . C A 1 19 ? 10.757 -7.503 -1.925 1.00 0.00 ? 19 C A "C2'" 1 +ATOM 593 O "O2'" . C A 1 19 ? 11.726 -8.378 -1.341 1.00 0.00 ? 19 C A "O2'" 1 +ATOM 594 C "C1'" . C A 1 19 ? 10.882 -7.504 -3.449 1.00 0.00 ? 19 C A "C1'" 1 +ATOM 595 N N1 . C A 1 19 ? 10.568 -6.180 -4.030 1.00 0.00 ? 19 C A N1 1 +ATOM 596 C C2 . C A 1 19 ? 11.535 -5.191 -3.929 1.00 0.00 ? 19 C A C2 1 +ATOM 597 O O2 . C A 1 19 ? 12.609 -5.432 -3.381 1.00 0.00 ? 19 C A O2 1 +ATOM 598 N N3 . C A 1 19 ? 11.269 -3.960 -4.445 1.00 0.00 ? 19 C A N3 1 +ATOM 599 C C4 . C A 1 19 ? 10.095 -3.707 -5.040 1.00 0.00 ? 19 C A C4 1 +ATOM 600 N N4 . C A 1 19 ? 9.895 -2.482 -5.526 1.00 0.00 ? 19 C A N4 1 +ATOM 601 C C5 . C A 1 19 ? 9.093 -4.722 -5.148 1.00 0.00 ? 19 C A C5 1 +ATOM 602 C C6 . C A 1 19 ? 9.368 -5.936 -4.634 1.00 0.00 ? 19 C A C6 1 +ATOM 603 H "H5'" . C A 1 19 ? 7.752 -10.320 -3.785 1.00 0.00 ? 19 C A "H5'" 1 +ATOM 604 H "H5''" . C A 1 19 ? 7.148 -9.407 -2.386 1.00 0.00 ? 19 C A "H5''" 1 +ATOM 605 H "H4'" . C A 1 19 ? 9.707 -10.001 -2.567 1.00 0.00 ? 19 C A "H4'" 1 +ATOM 606 H "H3'" . C A 1 19 ? 8.582 -7.279 -1.738 1.00 0.00 ? 19 C A "H3'" 1 +ATOM 607 H "H2'" . C A 1 19 ? 10.845 -6.493 -1.527 1.00 0.00 ? 19 C A "H2'" 1 +ATOM 608 H "HO2'" . C A 1 19 ? 12.221 -7.866 -0.698 1.00 0.00 ? 19 C A "HO2'" 1 +ATOM 609 H "H1'" . C A 1 19 ? 11.883 -7.806 -3.757 1.00 0.00 ? 19 C A "H1'" 1 +ATOM 610 H H41 . C A 1 19 ? 10.626 -1.787 -5.464 1.00 0.00 ? 19 C A H41 1 +ATOM 611 H H42 . C A 1 19 ? 9.012 -2.248 -5.957 1.00 0.00 ? 19 C A H42 1 +ATOM 612 H H5 . C A 1 19 ? 8.133 -4.527 -5.626 1.00 0.00 ? 19 C A H5 1 +ATOM 613 H H6 . C A 1 19 ? 8.626 -6.731 -4.701 1.00 0.00 ? 19 C A H6 1 +ATOM 614 P P . C A 1 20 ? 8.883 -8.060 0.878 1.00 0.00 ? 20 C A P 1 +ATOM 615 O OP1 . C A 1 20 ? 8.478 -9.115 1.833 1.00 0.00 ? 20 C A OP1 1 +ATOM 616 O OP2 . C A 1 20 ? 7.937 -6.976 0.530 1.00 0.00 ? 20 C A OP2 1 +ATOM 617 O "O5'" . C A 1 20 ? 10.244 -7.388 1.417 1.00 0.00 ? 20 C A "O5'" 1 +ATOM 618 C "C5'" . C A 1 20 ? 11.187 -8.164 2.159 1.00 0.00 ? 20 C A "C5'" 1 +ATOM 619 C "C4'" . C A 1 20 ? 12.388 -7.330 2.595 1.00 0.00 ? 20 C A "C4'" 1 +ATOM 620 O "O4'" . C A 1 20 ? 13.034 -6.785 1.440 1.00 0.00 ? 20 C A "O4'" 1 +ATOM 621 C "C3'" . C A 1 20 ? 12.055 -6.107 3.428 1.00 0.00 ? 20 C A "C3'" 1 +ATOM 622 O "O3'" . C A 1 20 ? 12.072 -6.504 4.801 1.00 0.00 ? 20 C A "O3'" 1 +ATOM 623 C "C2'" . C A 1 20 ? 13.264 -5.216 3.200 1.00 0.00 ? 20 C A "C2'" 1 +ATOM 624 O "O2'" . C A 1 20 ? 14.357 -5.633 4.022 1.00 0.00 ? 20 C A "O2'" 1 +ATOM 625 C "C1'" . C A 1 20 ? 13.570 -5.480 1.726 1.00 0.00 ? 20 C A "C1'" 1 +ATOM 626 N N1 . C A 1 20 ? 12.917 -4.492 0.834 1.00 0.00 ? 20 C A N1 1 +ATOM 627 C C2 . C A 1 20 ? 13.622 -3.339 0.510 1.00 0.00 ? 20 C A C2 1 +ATOM 628 O O2 . C A 1 20 ? 14.753 -3.160 0.956 1.00 0.00 ? 20 C A O2 1 +ATOM 629 N N3 . C A 1 20 ? 13.034 -2.421 -0.306 1.00 0.00 ? 20 C A N3 1 +ATOM 630 C C4 . C A 1 20 ? 11.801 -2.624 -0.787 1.00 0.00 ? 20 C A C4 1 +ATOM 631 N N4 . C A 1 20 ? 11.281 -1.690 -1.584 1.00 0.00 ? 20 C A N4 1 +ATOM 632 C C5 . C A 1 20 ? 11.069 -3.808 -0.458 1.00 0.00 ? 20 C A C5 1 +ATOM 633 C C6 . C A 1 20 ? 11.660 -4.709 0.350 1.00 0.00 ? 20 C A C6 1 +ATOM 634 H "H5'" . C A 1 20 ? 11.535 -8.988 1.537 1.00 0.00 ? 20 C A "H5'" 1 +ATOM 635 H "H5''" . C A 1 20 ? 10.696 -8.569 3.044 1.00 0.00 ? 20 C A "H5''" 1 +ATOM 636 H "H4'" . C A 1 20 ? 13.091 -7.973 3.124 1.00 0.00 ? 20 C A "H4'" 1 +ATOM 637 H "H3'" . C A 1 20 ? 11.111 -5.636 3.151 1.00 0.00 ? 20 C A "H3'" 1 +ATOM 638 H "H2'" . C A 1 20 ? 13.020 -4.170 3.368 1.00 0.00 ? 20 C A "H2'" 1 +ATOM 639 H "HO2'" . C A 1 20 ? 15.010 -6.038 3.446 1.00 0.00 ? 20 C A "HO2'" 1 +ATOM 640 H "H1'" . C A 1 20 ? 14.646 -5.487 1.548 1.00 0.00 ? 20 C A "H1'" 1 +ATOM 641 H H41 . C A 1 20 ? 11.784 -0.831 -1.750 1.00 0.00 ? 20 C A H41 1 +ATOM 642 H H42 . C A 1 20 ? 10.384 -1.843 -2.022 1.00 0.00 ? 20 C A H42 1 +ATOM 643 H H5 . C A 1 20 ? 10.064 -3.983 -0.843 1.00 0.00 ? 20 C A H5 1 +ATOM 644 H H6 . C A 1 20 ? 11.127 -5.619 0.623 1.00 0.00 ? 20 C A H6 1 +ATOM 645 P P . G A 1 21 ? 11.225 -5.681 5.896 1.00 0.00 ? 21 G A P 1 +ATOM 646 O OP1 . G A 1 21 ? 11.155 -6.491 7.132 1.00 0.00 ? 21 G A OP1 1 +ATOM 647 O OP2 . G A 1 21 ? 9.979 -5.204 5.254 1.00 0.00 ? 21 G A OP2 1 +ATOM 648 O "O5'" . G A 1 21 ? 12.165 -4.405 6.181 1.00 0.00 ? 21 G A "O5'" 1 +ATOM 649 C "C5'" . G A 1 21 ? 13.519 -4.585 6.601 1.00 0.00 ? 21 G A "C5'" 1 +ATOM 650 C "C4'" . G A 1 21 ? 14.279 -3.262 6.646 1.00 0.00 ? 21 G A "C4'" 1 +ATOM 651 O "O4'" . G A 1 21 ? 14.299 -2.677 5.342 1.00 0.00 ? 21 G A "O4'" 1 +ATOM 652 C "C3'" . G A 1 21 ? 13.646 -2.186 7.507 1.00 0.00 ? 21 G A "C3'" 1 +ATOM 653 O "O3'" . G A 1 21 ? 14.166 -2.332 8.830 1.00 0.00 ? 21 G A "O3'" 1 +ATOM 654 C "C2'" . G A 1 21 ? 14.238 -0.912 6.928 1.00 0.00 ? 21 G A "C2'" 1 +ATOM 655 O "O2'" . G A 1 21 ? 15.554 -0.692 7.441 1.00 0.00 ? 21 G A "O2'" 1 +ATOM 656 C "C1'" . G A 1 21 ? 14.290 -1.240 5.434 1.00 0.00 ? 21 G A "C1'" 1 +ATOM 657 N N9 . G A 1 21 ? 13.112 -0.723 4.712 1.00 0.00 ? 21 G A N9 1 +ATOM 658 C C8 . G A 1 21 ? 11.997 -1.402 4.290 1.00 0.00 ? 21 G A C8 1 +ATOM 659 N N7 . G A 1 21 ? 11.122 -0.648 3.685 1.00 0.00 ? 21 G A N7 1 +ATOM 660 C C5 . G A 1 21 ? 11.696 0.618 3.706 1.00 0.00 ? 21 G A C5 1 +ATOM 661 C C6 . G A 1 21 ? 11.205 1.851 3.195 1.00 0.00 ? 21 G A C6 1 +ATOM 662 O O6 . G A 1 21 ? 10.145 2.066 2.612 1.00 0.00 ? 21 G A O6 1 +ATOM 663 N N1 . G A 1 21 ? 12.094 2.889 3.425 1.00 0.00 ? 21 G A N1 1 +ATOM 664 C C2 . G A 1 21 ? 13.305 2.764 4.066 1.00 0.00 ? 21 G A C2 1 +ATOM 665 N N2 . G A 1 21 ? 14.037 3.871 4.196 1.00 0.00 ? 21 G A N2 1 +ATOM 666 N N3 . G A 1 21 ? 13.776 1.612 4.550 1.00 0.00 ? 21 G A N3 1 +ATOM 667 C C4 . G A 1 21 ? 12.918 0.584 4.334 1.00 0.00 ? 21 G A C4 1 +ATOM 668 H "H5'" . G A 1 21 ? 14.020 -5.258 5.904 1.00 0.00 ? 21 G A "H5'" 1 +ATOM 669 H "H5''" . G A 1 21 ? 13.527 -5.032 7.594 1.00 0.00 ? 21 G A "H5''" 1 +ATOM 670 H "H4'" . G A 1 21 ? 15.303 -3.455 6.965 1.00 0.00 ? 21 G A "H4'" 1 +ATOM 671 H "H3'" . G A 1 21 ? 12.556 -2.204 7.493 1.00 0.00 ? 21 G A "H3'" 1 +ATOM 672 H "H2'" . G A 1 21 ? 13.591 -0.057 7.119 1.00 0.00 ? 21 G A "H2'" 1 +ATOM 673 H "HO2'" . G A 1 21 ? 16.165 -0.772 6.704 1.00 0.00 ? 21 G A "HO2'" 1 +ATOM 674 H "H1'" . G A 1 21 ? 15.197 -0.842 4.979 1.00 0.00 ? 21 G A "H1'" 1 +ATOM 675 H H8 . G A 1 21 ? 11.855 -2.471 4.446 1.00 0.00 ? 21 G A H8 1 +ATOM 676 H H1 . G A 1 21 ? 11.824 3.805 3.095 1.00 0.00 ? 21 G A H1 1 +ATOM 677 H H21 . G A 1 21 ? 13.688 4.751 3.846 1.00 0.00 ? 21 G A H21 1 +ATOM 678 H H22 . G A 1 21 ? 14.941 3.828 4.644 1.00 0.00 ? 21 G A H22 1 +ATOM 679 P P . G A 1 22 ? 13.335 -1.785 10.096 1.00 0.00 ? 22 G A P 1 +ATOM 680 O OP1 . G A 1 22 ? 14.178 -1.933 11.303 1.00 0.00 ? 22 G A OP1 1 +ATOM 681 O OP2 . G A 1 22 ? 11.985 -2.392 10.060 1.00 0.00 ? 22 G A OP2 1 +ATOM 682 O "O5'" . G A 1 22 ? 13.190 -0.214 9.770 1.00 0.00 ? 22 G A "O5'" 1 +ATOM 683 C "C5'" . G A 1 22 ? 14.318 0.656 9.893 1.00 0.00 ? 22 G A "C5'" 1 +ATOM 684 C "C4'" . G A 1 22 ? 13.904 2.125 9.910 1.00 0.00 ? 22 G A "C4'" 1 +ATOM 685 O "O4'" . G A 1 22 ? 13.612 2.557 8.579 1.00 0.00 ? 22 G A "O4'" 1 +ATOM 686 C "C3'" . G A 1 22 ? 12.626 2.429 10.665 1.00 0.00 ? 22 G A "C3'" 1 +ATOM 687 O "O3'" . G A 1 22 ? 12.981 2.676 12.027 1.00 0.00 ? 22 G A "O3'" 1 +ATOM 688 C "C2'" . G A 1 22 ? 12.198 3.757 10.061 1.00 0.00 ? 22 G A "C2'" 1 +ATOM 689 O "O2'" . G A 1 22 ? 12.924 4.835 10.655 1.00 0.00 ? 22 G A "O2'" 1 +ATOM 690 C "C1'" . G A 1 22 ? 12.601 3.582 8.595 1.00 0.00 ? 22 G A "C1'" 1 +ATOM 691 N N9 . G A 1 22 ? 11.469 3.148 7.754 1.00 0.00 ? 22 G A N9 1 +ATOM 692 C C8 . G A 1 22 ? 11.082 1.874 7.429 1.00 0.00 ? 22 G A C8 1 +ATOM 693 N N7 . G A 1 22 ? 10.031 1.826 6.658 1.00 0.00 ? 22 G A N7 1 +ATOM 694 C C5 . G A 1 22 ? 9.697 3.161 6.461 1.00 0.00 ? 22 G A C5 1 +ATOM 695 C C6 . G A 1 22 ? 8.638 3.735 5.706 1.00 0.00 ? 22 G A C6 1 +ATOM 696 O O6 . G A 1 22 ? 7.770 3.160 5.052 1.00 0.00 ? 22 G A O6 1 +ATOM 697 N N1 . G A 1 22 ? 8.657 5.119 5.767 1.00 0.00 ? 22 G A N1 1 +ATOM 698 C C2 . G A 1 22 ? 9.578 5.866 6.466 1.00 0.00 ? 22 G A C2 1 +ATOM 699 N N2 . G A 1 22 ? 9.443 7.191 6.417 1.00 0.00 ? 22 G A N2 1 +ATOM 700 N N3 . G A 1 22 ? 10.578 5.338 7.178 1.00 0.00 ? 22 G A N3 1 +ATOM 701 C C4 . G A 1 22 ? 10.574 3.983 7.129 1.00 0.00 ? 22 G A C4 1 +ATOM 702 H "H5'" . G A 1 22 ? 14.990 0.487 9.052 1.00 0.00 ? 22 G A "H5'" 1 +ATOM 703 H "H5''" . G A 1 22 ? 14.843 0.426 10.820 1.00 0.00 ? 22 G A "H5''" 1 +ATOM 704 H "H4'" . G A 1 22 ? 14.729 2.719 10.301 1.00 0.00 ? 22 G A "H4'" 1 +ATOM 705 H "H3'" . G A 1 22 ? 11.871 1.647 10.575 1.00 0.00 ? 22 G A "H3'" 1 +ATOM 706 H "H2'" . G A 1 22 ? 11.123 3.905 10.156 1.00 0.00 ? 22 G A "H2'" 1 +ATOM 707 H "HO2'" . G A 1 22 ? 13.220 5.406 9.942 1.00 0.00 ? 22 G A "HO2'" 1 +ATOM 708 H "H1'" . G A 1 22 ? 13.015 4.505 8.193 1.00 0.00 ? 22 G A "H1'" 1 +ATOM 709 H H8 . G A 1 22 ? 11.602 0.985 7.783 1.00 0.00 ? 22 G A H8 1 +ATOM 710 H H1 . G A 1 22 ? 7.939 5.611 5.258 1.00 0.00 ? 22 G A H1 1 +ATOM 711 H H21 . G A 1 22 ? 8.709 7.604 5.859 1.00 0.00 ? 22 G A H21 1 +ATOM 712 H H22 . G A 1 22 ? 10.075 7.783 6.938 1.00 0.00 ? 22 G A H22 1 +ATOM 713 P P . C A 1 23 ? 12.040 2.149 13.222 1.00 0.00 ? 23 C A P 1 +ATOM 714 O OP1 . C A 1 23 ? 12.636 2.580 14.507 1.00 0.00 ? 23 C A OP1 1 +ATOM 715 O OP2 . C A 1 23 ? 11.750 0.717 12.987 1.00 0.00 ? 23 C A OP2 1 +ATOM 716 O "O5'" . C A 1 23 ? 10.680 2.982 12.992 1.00 0.00 ? 23 C A "O5'" 1 +ATOM 717 C "C5'" . C A 1 23 ? 10.297 4.010 13.909 1.00 0.00 ? 23 C A "C5'" 1 +ATOM 718 C "C4'" . C A 1 23 ? 9.041 4.742 13.444 1.00 0.00 ? 23 C A "C4'" 1 +ATOM 719 O "O4'" . C A 1 23 ? 9.108 4.956 12.034 1.00 0.00 ? 23 C A "O4'" 1 +ATOM 720 C "C3'" . C A 1 23 ? 7.748 3.973 13.623 1.00 0.00 ? 23 C A "C3'" 1 +ATOM 721 O "O3'" . C A 1 23 ? 7.238 4.294 14.919 1.00 0.00 ? 23 C A "O3'" 1 +ATOM 722 C "C2'" . C A 1 23 ? 6.826 4.624 12.604 1.00 0.00 ? 23 C A "C2'" 1 +ATOM 723 O "O2'" . C A 1 23 ? 6.249 5.818 13.140 1.00 0.00 ? 23 C A "O2'" 1 +ATOM 724 C "C1'" . C A 1 23 ? 7.788 4.958 11.461 1.00 0.00 ? 23 C A "C1'" 1 +ATOM 725 N N1 . C A 1 23 ? 7.738 3.950 10.378 1.00 0.00 ? 23 C A N1 1 +ATOM 726 C C2 . C A 1 23 ? 6.780 4.111 9.386 1.00 0.00 ? 23 C A C2 1 +ATOM 727 O O2 . C A 1 23 ? 6.011 5.069 9.420 1.00 0.00 ? 23 C A O2 1 +ATOM 728 N N3 . C A 1 23 ? 6.714 3.190 8.385 1.00 0.00 ? 23 C A N3 1 +ATOM 729 C C4 . C A 1 23 ? 7.556 2.149 8.357 1.00 0.00 ? 23 C A C4 1 +ATOM 730 N N4 . C A 1 23 ? 7.441 1.282 7.351 1.00 0.00 ? 23 C A N4 1 +ATOM 731 C C5 . C A 1 23 ? 8.546 1.977 9.375 1.00 0.00 ? 23 C A C5 1 +ATOM 732 C C6 . C A 1 23 ? 8.602 2.894 10.360 1.00 0.00 ? 23 C A C6 1 +ATOM 733 H "H5'" . C A 1 23 ? 11.113 4.726 14.001 1.00 0.00 ? 23 C A "H5'" 1 +ATOM 734 H "H5''" . C A 1 23 ? 10.106 3.562 14.885 1.00 0.00 ? 23 C A "H5''" 1 +ATOM 735 H "H4'" . C A 1 23 ? 8.986 5.707 13.948 1.00 0.00 ? 23 C A "H4'" 1 +ATOM 736 H "H3'" . C A 1 23 ? 7.859 2.898 13.484 1.00 0.00 ? 23 C A "H3'" 1 +ATOM 737 H "H2'" . C A 1 23 ? 6.057 3.929 12.273 1.00 0.00 ? 23 C A "H2'" 1 +ATOM 738 H "HO2'" . C A 1 23 ? 6.844 6.542 12.930 1.00 0.00 ? 23 C A "HO2'" 1 +ATOM 739 H "H1'" . C A 1 23 ? 7.575 5.947 11.054 1.00 0.00 ? 23 C A "H1'" 1 +ATOM 740 H H41 . C A 1 23 ? 6.688 1.378 6.685 1.00 0.00 ? 23 C A H41 1 +ATOM 741 H H42 . C A 1 23 ? 8.107 0.528 7.256 1.00 0.00 ? 23 C A H42 1 +ATOM 742 H H5 . C A 1 23 ? 9.237 1.134 9.362 1.00 0.00 ? 23 C A H5 1 +ATOM 743 H H6 . C A 1 23 ? 9.341 2.788 11.154 1.00 0.00 ? 23 C A H6 1 +ATOM 744 P P . U A 1 24 ? 6.184 3.317 15.643 1.00 0.00 ? 24 U A P 1 +ATOM 745 O OP1 . U A 1 24 ? 6.020 3.768 17.043 1.00 0.00 ? 24 U A OP1 1 +ATOM 746 O OP2 . U A 1 24 ? 6.578 1.919 15.360 1.00 0.00 ? 24 U A OP2 1 +ATOM 747 O "O5'" . U A 1 24 ? 4.816 3.626 14.852 1.00 0.00 ? 24 U A "O5'" 1 +ATOM 748 C "C5'" . U A 1 24 ? 3.988 4.723 15.242 1.00 0.00 ? 24 U A "C5'" 1 +ATOM 749 C "C4'" . U A 1 24 ? 2.832 4.933 14.268 1.00 0.00 ? 24 U A "C4'" 1 +ATOM 750 O "O4'" . U A 1 24 ? 3.317 4.844 12.928 1.00 0.00 ? 24 U A "O4'" 1 +ATOM 751 C "C3'" . U A 1 24 ? 1.747 3.877 14.324 1.00 0.00 ? 24 U A "C3'" 1 +ATOM 752 O "O3'" . U A 1 24 ? 0.773 4.321 15.272 1.00 0.00 ? 24 U A "O3'" 1 +ATOM 753 C "C2'" . U A 1 24 ? 1.107 3.970 12.947 1.00 0.00 ? 24 U A "C2'" 1 +ATOM 754 O "O2'" . U A 1 24 ? 0.119 5.003 12.922 1.00 0.00 ? 24 U A "O2'" 1 +ATOM 755 C "C1'" . U A 1 24 ? 2.294 4.340 12.053 1.00 0.00 ? 24 U A "C1'" 1 +ATOM 756 N N1 . U A 1 24 ? 2.830 3.167 11.325 1.00 0.00 ? 24 U A N1 1 +ATOM 757 C C2 . U A 1 24 ? 2.294 2.876 10.080 1.00 0.00 ? 24 U A C2 1 +ATOM 758 O O2 . U A 1 24 ? 1.411 3.559 9.567 1.00 0.00 ? 24 U A O2 1 +ATOM 759 N N3 . U A 1 24 ? 2.815 1.767 9.440 1.00 0.00 ? 24 U A N3 1 +ATOM 760 C C4 . U A 1 24 ? 3.807 0.938 9.927 1.00 0.00 ? 24 U A C4 1 +ATOM 761 O O4 . U A 1 24 ? 4.186 -0.023 9.260 1.00 0.00 ? 24 U A O4 1 +ATOM 762 C C5 . U A 1 24 ? 4.315 1.306 11.229 1.00 0.00 ? 24 U A C5 1 +ATOM 763 C C6 . U A 1 24 ? 3.817 2.391 11.874 1.00 0.00 ? 24 U A C6 1 +ATOM 764 H "H5'" . U A 1 24 ? 4.592 5.630 15.275 1.00 0.00 ? 24 U A "H5'" 1 +ATOM 765 H "H5''" . U A 1 24 ? 3.584 4.528 16.235 1.00 0.00 ? 24 U A "H5''" 1 +ATOM 766 H "H4'" . U A 1 24 ? 2.411 5.925 14.428 1.00 0.00 ? 24 U A "H4'" 1 +ATOM 767 H "H3'" . U A 1 24 ? 2.122 2.882 14.562 1.00 0.00 ? 24 U A "H3'" 1 +ATOM 768 H "H2'" . U A 1 24 ? 0.683 3.013 12.648 1.00 0.00 ? 24 U A "H2'" 1 +ATOM 769 H "HO2'" . U A 1 24 ? 0.430 5.681 12.317 1.00 0.00 ? 24 U A "HO2'" 1 +ATOM 770 H "H1'" . U A 1 24 ? 2.014 5.121 11.344 1.00 0.00 ? 24 U A "H1'" 1 +ATOM 771 H H3 . U A 1 24 ? 2.435 1.542 8.532 1.00 0.00 ? 24 U A H3 1 +ATOM 772 H H5 . U A 1 24 ? 5.100 0.710 11.694 1.00 0.00 ? 24 U A H5 1 +ATOM 773 H H6 . U A 1 24 ? 4.211 2.651 12.856 1.00 0.00 ? 24 U A H6 1 +ATOM 774 P P . U A 1 25 ? -0.147 3.258 16.058 1.00 0.00 ? 25 U A P 1 +ATOM 775 O OP1 . U A 1 25 ? -0.685 3.917 17.268 1.00 0.00 ? 25 U A OP1 1 +ATOM 776 O OP2 . U A 1 25 ? 0.610 1.992 16.181 1.00 0.00 ? 25 U A OP2 1 +ATOM 777 O "O5'" . U A 1 25 ? -1.364 3.019 15.030 1.00 0.00 ? 25 U A "O5'" 1 +ATOM 778 C "C5'" . U A 1 25 ? -2.406 3.990 14.902 1.00 0.00 ? 25 U A "C5'" 1 +ATOM 779 C "C4'" . U A 1 25 ? -3.161 3.832 13.585 1.00 0.00 ? 25 U A "C4'" 1 +ATOM 780 O "O4'" . U A 1 25 ? -2.226 3.556 12.535 1.00 0.00 ? 25 U A "O4'" 1 +ATOM 781 C "C3'" . U A 1 25 ? -4.123 2.659 13.537 1.00 0.00 ? 25 U A "C3'" 1 +ATOM 782 O "O3'" . U A 1 25 ? -5.406 3.141 13.943 1.00 0.00 ? 25 U A "O3'" 1 +ATOM 783 C "C2'" . U A 1 25 ? -4.205 2.352 12.052 1.00 0.00 ? 25 U A "C2'" 1 +ATOM 784 O "O2'" . U A 1 25 ? -5.092 3.263 11.396 1.00 0.00 ? 25 U A "O2'" 1 +ATOM 785 C "C1'" . U A 1 25 ? -2.764 2.592 11.610 1.00 0.00 ? 25 U A "C1'" 1 +ATOM 786 N N1 . U A 1 25 ? -1.950 1.359 11.679 1.00 0.00 ? 25 U A N1 1 +ATOM 787 C C2 . U A 1 25 ? -2.040 0.469 10.623 1.00 0.00 ? 25 U A C2 1 +ATOM 788 O O2 . U A 1 25 ? -2.754 0.677 9.645 1.00 0.00 ? 25 U A O2 1 +ATOM 789 N N3 . U A 1 25 ? -1.276 -0.677 10.730 1.00 0.00 ? 25 U A N3 1 +ATOM 790 C C4 . U A 1 25 ? -0.444 -1.006 11.784 1.00 0.00 ? 25 U A C4 1 +ATOM 791 O O4 . U A 1 25 ? 0.187 -2.060 11.764 1.00 0.00 ? 25 U A O4 1 +ATOM 792 C C5 . U A 1 25 ? -0.403 -0.027 12.847 1.00 0.00 ? 25 U A C5 1 +ATOM 793 C C6 . U A 1 25 ? -1.145 1.104 12.760 1.00 0.00 ? 25 U A C6 1 +ATOM 794 H "H5'" . U A 1 25 ? -1.969 4.987 14.945 1.00 0.00 ? 25 U A "H5'" 1 +ATOM 795 H "H5''" . U A 1 25 ? -3.106 3.872 15.729 1.00 0.00 ? 25 U A "H5''" 1 +ATOM 796 H "H4'" . U A 1 25 ? -3.681 4.763 13.361 1.00 0.00 ? 25 U A "H4'" 1 +ATOM 797 H "H3'" . U A 1 25 ? -3.800 1.809 14.138 1.00 0.00 ? 25 U A "H3'" 1 +ATOM 798 H "H2'" . U A 1 25 ? -4.501 1.317 11.880 1.00 0.00 ? 25 U A "H2'" 1 +ATOM 799 H "HO2'" . U A 1 25 ? -5.775 3.500 12.027 1.00 0.00 ? 25 U A "HO2'" 1 +ATOM 800 H "H1'" . U A 1 25 ? -2.727 3.002 10.599 1.00 0.00 ? 25 U A "H1'" 1 +ATOM 801 H H3 . U A 1 25 ? -1.331 -1.336 9.967 1.00 0.00 ? 25 U A H3 1 +ATOM 802 H H5 . U A 1 25 ? 0.226 -0.200 13.720 1.00 0.00 ? 25 U A H5 1 +ATOM 803 H H6 . U A 1 25 ? -1.100 1.833 13.570 1.00 0.00 ? 25 U A H6 1 +ATOM 804 P P . C A 1 26 ? -6.443 2.162 14.690 1.00 0.00 ? 26 C A P 1 +ATOM 805 O OP1 . C A 1 26 ? -7.675 2.929 14.984 1.00 0.00 ? 26 C A OP1 1 +ATOM 806 O OP2 . C A 1 26 ? -5.724 1.474 15.786 1.00 0.00 ? 26 C A OP2 1 +ATOM 807 O "O5'" . C A 1 26 ? -6.785 1.077 13.551 1.00 0.00 ? 26 C A "O5'" 1 +ATOM 808 C "C5'" . C A 1 26 ? -7.649 1.418 12.464 1.00 0.00 ? 26 C A "C5'" 1 +ATOM 809 C "C4'" . C A 1 26 ? -7.727 0.299 11.431 1.00 0.00 ? 26 C A "C4'" 1 +ATOM 810 O "O4'" . C A 1 26 ? -6.411 -0.033 10.984 1.00 0.00 ? 26 C A "O4'" 1 +ATOM 811 C "C3'" . C A 1 26 ? -8.263 -1.019 11.952 1.00 0.00 ? 26 C A "C3'" 1 +ATOM 812 O "O3'" . C A 1 26 ? -9.682 -0.999 11.786 1.00 0.00 ? 26 C A "O3'" 1 +ATOM 813 C "C2'" . C A 1 26 ? -7.707 -2.023 10.955 1.00 0.00 ? 26 C A "C2'" 1 +ATOM 814 O "O2'" . C A 1 26 ? -8.533 -2.081 9.789 1.00 0.00 ? 26 C A "O2'" 1 +ATOM 815 C "C1'" . C A 1 26 ? -6.342 -1.423 10.615 1.00 0.00 ? 26 C A "C1'" 1 +ATOM 816 N N1 . C A 1 26 ? -5.247 -2.065 11.376 1.00 0.00 ? 26 C A N1 1 +ATOM 817 C C2 . C A 1 26 ? -4.694 -3.228 10.857 1.00 0.00 ? 26 C A C2 1 +ATOM 818 O O2 . C A 1 26 ? -5.106 -3.686 9.795 1.00 0.00 ? 26 C A O2 1 +ATOM 819 N N3 . C A 1 26 ? -3.693 -3.841 11.547 1.00 0.00 ? 26 C A N3 1 +ATOM 820 C C4 . C A 1 26 ? -3.251 -3.332 12.705 1.00 0.00 ? 26 C A C4 1 +ATOM 821 N N4 . C A 1 26 ? -2.270 -3.980 13.335 1.00 0.00 ? 26 C A N4 1 +ATOM 822 C C5 . C A 1 26 ? -3.815 -2.135 13.246 1.00 0.00 ? 26 C A C5 1 +ATOM 823 C C6 . C A 1 26 ? -4.805 -1.538 12.554 1.00 0.00 ? 26 C A C6 1 +ATOM 824 H "H5'" . C A 1 26 ? -7.273 2.321 11.982 1.00 0.00 ? 26 C A "H5'" 1 +ATOM 825 H "H5''" . C A 1 26 ? -8.648 1.613 12.852 1.00 0.00 ? 26 C A "H5''" 1 +ATOM 826 H "H4'" . C A 1 26 ? -8.315 0.643 10.580 1.00 0.00 ? 26 C A "H4'" 1 +ATOM 827 H "H3'" . C A 1 26 ? -7.976 -1.228 12.983 1.00 0.00 ? 26 C A "H3'" 1 +ATOM 828 H "H2'" . C A 1 26 ? -7.597 -3.006 11.408 1.00 0.00 ? 26 C A "H2'" 1 +ATOM 829 H "HO2'" . C A 1 26 ? -7.976 -1.878 9.034 1.00 0.00 ? 26 C A "HO2'" 1 +ATOM 830 H "H1'" . C A 1 26 ? -6.142 -1.501 9.546 1.00 0.00 ? 26 C A "H1'" 1 +ATOM 831 H H41 . C A 1 26 ? -1.928 -4.858 12.970 1.00 0.00 ? 26 C A H41 1 +ATOM 832 H H42 . C A 1 26 ? -1.869 -3.593 14.177 1.00 0.00 ? 26 C A H42 1 +ATOM 833 H H5 . C A 1 26 ? -3.463 -1.712 14.187 1.00 0.00 ? 26 C A H5 1 +ATOM 834 H H6 . C A 1 26 ? -5.258 -0.625 12.941 1.00 0.00 ? 26 C A H6 1 +ATOM 835 P P . C A 1 27 ? -10.622 -1.913 12.721 1.00 0.00 ? 27 C A P 1 +ATOM 836 O OP1 . C A 1 27 ? -12.029 -1.523 12.483 1.00 0.00 ? 27 C A OP1 1 +ATOM 837 O OP2 . C A 1 27 ? -10.071 -1.888 14.095 1.00 0.00 ? 27 C A OP2 1 +ATOM 838 O "O5'" . C A 1 27 ? -10.396 -3.387 12.114 1.00 0.00 ? 27 C A "O5'" 1 +ATOM 839 C "C5'" . C A 1 27 ? -11.310 -3.921 11.153 1.00 0.00 ? 27 C A "C5'" 1 +ATOM 840 C "C4'" . C A 1 27 ? -10.940 -5.345 10.750 1.00 0.00 ? 27 C A "C4'" 1 +ATOM 841 O "O4'" . C A 1 27 ? -9.527 -5.440 10.578 1.00 0.00 ? 27 C A "O4'" 1 +ATOM 842 C "C3'" . C A 1 27 ? -11.243 -6.407 11.791 1.00 0.00 ? 27 C A "C3'" 1 +ATOM 843 O "O3'" . C A 1 27 ? -12.613 -6.810 11.717 1.00 0.00 ? 27 C A "O3'" 1 +ATOM 844 C "C2'" . C A 1 27 ? -10.324 -7.538 11.342 1.00 0.00 ? 27 C A "C2'" 1 +ATOM 845 O "O2'" . C A 1 27 ? -10.925 -8.278 10.276 1.00 0.00 ? 27 C A "O2'" 1 +ATOM 846 C "C1'" . C A 1 27 ? -9.089 -6.782 10.840 1.00 0.00 ? 27 C A "C1'" 1 +ATOM 847 N N1 . C A 1 27 ? -8.005 -6.746 11.848 1.00 0.00 ? 27 C A N1 1 +ATOM 848 C C2 . C A 1 27 ? -7.177 -7.855 11.943 1.00 0.00 ? 27 C A C2 1 +ATOM 849 O O2 . C A 1 27 ? -7.351 -8.821 11.204 1.00 0.00 ? 27 C A O2 1 +ATOM 850 N N3 . C A 1 27 ? -6.176 -7.848 12.866 1.00 0.00 ? 27 C A N3 1 +ATOM 851 C C4 . C A 1 27 ? -5.993 -6.789 13.667 1.00 0.00 ? 27 C A C4 1 +ATOM 852 N N4 . C A 1 27 ? -4.996 -6.842 14.551 1.00 0.00 ? 27 C A N4 1 +ATOM 853 C C5 . C A 1 27 ? -6.843 -5.642 13.575 1.00 0.00 ? 27 C A C5 1 +ATOM 854 C C6 . C A 1 27 ? -7.829 -5.662 12.658 1.00 0.00 ? 27 C A C6 1 +ATOM 855 H "H5'" . C A 1 27 ? -11.302 -3.288 10.266 1.00 0.00 ? 27 C A "H5'" 1 +ATOM 856 H "H5''" . C A 1 27 ? -12.313 -3.923 11.580 1.00 0.00 ? 27 C A "H5''" 1 +ATOM 857 H "H4'" . C A 1 27 ? -11.429 -5.584 9.806 1.00 0.00 ? 27 C A "H4'" 1 +ATOM 858 H "H3'" . C A 1 27 ? -10.984 -6.062 12.792 1.00 0.00 ? 27 C A "H3'" 1 +ATOM 859 H "HO3'" . C A 1 27 ? -13.104 -6.269 12.340 1.00 0.00 ? 27 C A "HO3'" 1 +ATOM 860 H "H2'" . C A 1 27 ? -10.069 -8.189 12.179 1.00 0.00 ? 27 C A "H2'" 1 +ATOM 861 H "HO2'" . C A 1 27 ? -11.814 -7.936 10.156 1.00 0.00 ? 27 C A "HO2'" 1 +ATOM 862 H "H1'" . C A 1 27 ? -8.713 -7.222 9.915 1.00 0.00 ? 27 C A "H1'" 1 +ATOM 863 H H41 . C A 1 27 ? -4.449 -7.686 14.645 1.00 0.00 ? 27 C A H41 1 +ATOM 864 H H42 . C A 1 27 ? -4.787 -6.038 15.125 1.00 0.00 ? 27 C A H42 1 +ATOM 865 H H5 . C A 1 27 ? -6.704 -4.776 14.222 1.00 0.00 ? 27 C A H5 1 +ATOM 866 H H6 . C A 1 27 ? -8.493 -4.803 12.562 1.00 0.00 ? 27 C A H6 1 +HETATM 867 CO CO . NCO B 2 . ? 7.728 0.737 -0.565 1.00 0.00 ? 28 NCO A CO 1 +HETATM 868 N N1 . NCO B 2 . ? 7.852 2.608 -1.243 1.00 0.00 ? 28 NCO A N1 1 +HETATM 869 N N2 . NCO B 2 . ? 7.605 -1.134 0.114 1.00 0.00 ? 28 NCO A N2 1 +HETATM 870 N N3 . NCO B 2 . ? 9.421 1.000 0.453 1.00 0.00 ? 28 NCO A N3 1 +HETATM 871 N N4 . NCO B 2 . ? 6.686 1.384 1.006 1.00 0.00 ? 28 NCO A N4 1 +HETATM 872 N N5 . NCO B 2 . ? 6.035 0.474 -1.585 1.00 0.00 ? 28 NCO A N5 1 +HETATM 873 N N6 . NCO B 2 . ? 8.770 0.091 -2.137 1.00 0.00 ? 28 NCO A N6 1 +HETATM 874 H HN11 . NCO B 2 . ? 8.095 2.634 -2.222 1.00 0.00 ? 28 NCO A HN11 1 +HETATM 875 H HN12 . NCO B 2 . ? 6.977 3.101 -1.136 1.00 0.00 ? 28 NCO A HN12 1 +HETATM 876 H HN13 . NCO B 2 . ? 8.555 3.135 -0.745 1.00 0.00 ? 28 NCO A HN13 1 +HETATM 877 H HN21 . NCO B 2 . ? 6.895 -1.659 -0.375 1.00 0.00 ? 28 NCO A HN21 1 +HETATM 878 H HN22 . NCO B 2 . ? 8.477 -1.629 -0.002 1.00 0.00 ? 28 NCO A HN22 1 +HETATM 879 H HN23 . NCO B 2 . ? 7.374 -1.158 1.096 1.00 0.00 ? 28 NCO A HN23 1 +HETATM 880 H HN31 . NCO B 2 . ? 9.845 0.118 0.703 1.00 0.00 ? 28 NCO A HN31 1 +HETATM 881 H HN32 . NCO B 2 . ? 10.101 1.519 -0.083 1.00 0.00 ? 28 NCO A HN32 1 +HETATM 882 H HN33 . NCO B 2 . ? 9.262 1.510 1.310 1.00 0.00 ? 28 NCO A HN33 1 +HETATM 883 H HN41 . NCO B 2 . ? 5.715 1.113 0.944 1.00 0.00 ? 28 NCO A HN41 1 +HETATM 884 H HN42 . NCO B 2 . ? 7.048 1.011 1.871 1.00 0.00 ? 28 NCO A HN42 1 +HETATM 885 H HN43 . NCO B 2 . ? 6.713 2.391 1.078 1.00 0.00 ? 28 NCO A HN43 1 +HETATM 886 H HN51 . NCO B 2 . ? 5.354 -0.044 -1.048 1.00 0.00 ? 28 NCO A HN51 1 +HETATM 887 H HN52 . NCO B 2 . ? 5.611 1.355 -1.836 1.00 0.00 ? 28 NCO A HN52 1 +HETATM 888 H HN53 . NCO B 2 . ? 6.194 -0.038 -2.440 1.00 0.00 ? 28 NCO A HN53 1 +HETATM 889 H HN61 . NCO B 2 . ? 9.740 0.364 -2.077 1.00 0.00 ? 28 NCO A HN61 1 +HETATM 890 H HN62 . NCO B 2 . ? 8.744 -0.915 -2.209 1.00 0.00 ? 28 NCO A HN62 1 +HETATM 891 H HN63 . NCO B 2 . ? 8.406 0.463 -3.003 1.00 0.00 ? 28 NCO A HN63 1 +#