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@@ -0,0 +1,1694 @@
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+data_1BNA
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+#
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+_entry.id 1BNA
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+##
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+_audit_conform.dict_name mmcif_pdbx.dic
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+_audit_conform.dict_version 5.279
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+_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic
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+##
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+loop_
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+_database_2.database_id
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+_database_2.database_code
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+PDB 1BNA
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+RCSB BDL001
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+WWPDB D_1000171933
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+##
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+_pdbx_database_status.status_code REL
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+_pdbx_database_status.entry_id 1BNA
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+_pdbx_database_status.recvd_initial_deposition_date 1981-01-26
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+_pdbx_database_status.deposit_site BNL
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+_pdbx_database_status.process_site BNL
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+_pdbx_database_status.status_code_sf REL
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+_pdbx_database_status.status_code_mr ?
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+_pdbx_database_status.SG_entry ?
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+_pdbx_database_status.pdb_format_compatible Y
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+_pdbx_database_status.status_code_cs ?
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+##
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+loop_
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+_audit_author.name
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+_audit_author.pdbx_ordinal
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+'Drew, H.R.' 1
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+'Wing, R.M.' 2
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+'Takano, T.' 3
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+'Broka, C.' 4
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+'Tanaka, S.' 5
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+'Itakura, K.' 6
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+'Dickerson, R.E.' 7
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+##
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+loop_
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+_citation.id
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+_citation.title
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+_citation.journal_abbrev
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+_citation.journal_volume
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+_citation.page_first
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+_citation.page_last
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+_citation.year
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+_citation.journal_id_ASTM
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+_citation.country
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+_citation.journal_id_ISSN
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+_citation.journal_id_CSD
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+_citation.book_publisher
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+_citation.pdbx_database_id_PubMed
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+_citation.pdbx_database_id_DOI
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+primary 'Structure of a B-DNA dodecamer: conformation and dynamics.' Proc.Natl.Acad.Sci.USA 78 2179 2183 1981 PNASA6 US 0027-8424 0040 ? 6941276 10.1073/pnas.78.4.2179
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+1 'Kinematic Model for B-DNA' Proc.Natl.Acad.Sci.USA 78 7318 7322 1981 PNASA6 US 0027-8424 0040 ? ? ?
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+2 'Structure of a B-DNA Dodecamer. II. Influence of Base Sequence on Helix Structure' J.Mol.Biol. 149 761 786 1981 JMOBAK UK 0022-2836 0070 ? ? ?
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+3 'Structure of a B-DNA Dodecamer. III. Geometry of Hydration' J.Mol.Biol. 151 535 556 1981 JMOBAK UK 0022-2836 0070 ? ? ?
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+4 'Crystal Structure Analysis of a Complete Turn of B-DNA' Nature 287 755 758 1980 NATUAS UK 0028-0836 0006 ? ? ?
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+##
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+loop_
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+_citation_author.citation_id
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+_citation_author.name
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+_citation_author.ordinal
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+primary 'Drew, H.R.' 1
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+primary 'Wing, R.M.' 2
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+primary 'Takano, T.' 3
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+primary 'Broka, C.' 4
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+primary 'Tanaka, S.' 5
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+primary 'Itakura, K.' 6
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+primary 'Dickerson, R.E.' 7
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+1 'Dickerson, R.E.' 8
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+1 'Drew, H.R.' 9
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+2 'Dickerson, R.E.' 10
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+2 'Drew, H.R.' 11
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+3 'Drew, H.R.' 12
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+3 'Dickerson, R.E.' 13
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+4 'Wing, R.' 14
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+4 'Drew, H.R.' 15
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+4 'Takano, T.' 16
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+4 'Broka, C.' 17
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+4 'Tanaka, S.' 18
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+4 'Itakura, K.' 19
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+4 'Dickerson, R.E.' 20
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+##
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+_cell.entry_id 1BNA
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+_cell.length_a 24.870
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+_cell.length_b 40.390
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+_cell.length_c 66.200
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+_cell.angle_alpha 90.00
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+_cell.angle_beta 90.00
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+_cell.angle_gamma 90.00
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+_cell.Z_PDB 8
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+_cell.pdbx_unique_axis ?
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+##
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+_symmetry.entry_id 1BNA
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+_symmetry.space_group_name_H-M 'P 21 21 21'
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+_symmetry.pdbx_full_space_group_name_H-M ?
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+_symmetry.cell_setting ?
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+_symmetry.Int_Tables_number 19
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+##
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+loop_
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+_entity.id
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+_entity.type
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+_entity.src_method
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+_entity.pdbx_description
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+_entity.formula_weight
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+_entity.pdbx_number_of_molecules
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+_entity.pdbx_ec
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+_entity.pdbx_mutation
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+_entity.pdbx_fragment
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+_entity.details
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+1 polymer syn "DNA(5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')" 3663.392 2 ? ? ? ?
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+2 water nat water 18.015 80 ? ? ? ?
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+##
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+_entity_poly.entity_id 1
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+_entity_poly.type polydeoxyribonucleotide
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+_entity_poly.nstd_linkage no
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+_entity_poly.nstd_monomer no
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+_entity_poly.pdbx_seq_one_letter_code '(DC)(DG)(DC)(DG)(DA)(DA)(DT)(DT)(DC)(DG)(DC)(DG)'
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+_entity_poly.pdbx_seq_one_letter_code_can CGCGAATTCGCG
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+_entity_poly.pdbx_strand_id A,B
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+_entity_poly.pdbx_target_identifier ?
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+##
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+loop_
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+_entity_poly_seq.entity_id
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+_entity_poly_seq.num
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+_entity_poly_seq.mon_id
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+_entity_poly_seq.hetero
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+1 1 DC n
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+1 2 DG n
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+1 3 DC n
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+1 4 DG n
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+1 5 DA n
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+1 6 DA n
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+1 7 DT n
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+1 8 DT n
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+1 9 DC n
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+1 10 DG n
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+1 11 DC n
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+1 12 DG n
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+##
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+_struct_ref.id 1
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+_struct_ref.entity_id 1
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+_struct_ref.db_name PDB
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+_struct_ref.db_code 1BNA
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+_struct_ref.pdbx_db_accession 1BNA
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+_struct_ref.pdbx_db_isoform ?
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+_struct_ref.pdbx_seq_one_letter_code ?
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+_struct_ref.pdbx_align_begin ?
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+##
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+loop_
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+_struct_ref_seq.align_id
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+_struct_ref_seq.ref_id
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+_struct_ref_seq.pdbx_PDB_id_code
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+_struct_ref_seq.pdbx_strand_id
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+_struct_ref_seq.seq_align_beg
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+_struct_ref_seq.pdbx_seq_align_beg_ins_code
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+_struct_ref_seq.seq_align_end
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+_struct_ref_seq.pdbx_seq_align_end_ins_code
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+_struct_ref_seq.pdbx_db_accession
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+_struct_ref_seq.db_align_beg
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+_struct_ref_seq.pdbx_db_align_beg_ins_code
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+_struct_ref_seq.db_align_end
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+_struct_ref_seq.pdbx_db_align_end_ins_code
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+_struct_ref_seq.pdbx_auth_seq_align_beg
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+_struct_ref_seq.pdbx_auth_seq_align_end
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+1 1 1BNA A 1 ? 12 ? 1BNA 1 ? 12 ? 1 12
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+2 1 1BNA B 1 ? 12 ? 1BNA 13 ? 24 ? 13 24
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+##
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+loop_
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+_chem_comp.id
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+_chem_comp.type
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+_chem_comp.mon_nstd_flag
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+_chem_comp.name
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+_chem_comp.pdbx_synonyms
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+_chem_comp.formula
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+_chem_comp.formula_weight
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+DA 'DNA linking' y "2'-DEOXYADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O6 P' 331.222
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+DC 'DNA linking' y "2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O7 P' 307.197
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+DG 'DNA linking' y "2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
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+DT 'DNA linking' y "THYMIDINE-5'-MONOPHOSPHATE" ? 'C10 H15 N2 O8 P' 322.208
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+HOH non-polymer . WATER ? 'H2 O' 18.015
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+##
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+_exptl.entry_id 1BNA
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+_exptl.method 'X-RAY DIFFRACTION'
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+_exptl.crystals_number ?
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+##
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+_exptl_crystal.id 1
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+_exptl_crystal.density_meas ?
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+_exptl_crystal.density_Matthews 2.27
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+_exptl_crystal.density_percent_sol 45.79
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+_exptl_crystal.description ?
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+##
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+_exptl_crystal_grow.crystal_id 1
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+_exptl_crystal_grow.method 'VAPOR DIFFUSION'
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+_exptl_crystal_grow.temp 290.00
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+_exptl_crystal_grow.temp_details ?
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+_exptl_crystal_grow.pH ?
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+_exptl_crystal_grow.pdbx_details 'VAPOR DIFFUSION, temperature 290.00K'
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+_exptl_crystal_grow.pdbx_pH_range ?
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+##
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+loop_
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+_exptl_crystal_grow_comp.crystal_id
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+_exptl_crystal_grow_comp.id
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+_exptl_crystal_grow_comp.sol_id
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+_exptl_crystal_grow_comp.name
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+_exptl_crystal_grow_comp.volume
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+_exptl_crystal_grow_comp.conc
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+_exptl_crystal_grow_comp.details
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+1 1 1 WATER ? ? ?
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+1 2 1 'MG ACETATE' ? ? ?
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+1 3 1 SPERMINE_HCL ? ? ?
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+1 4 2 WATER ? ? ?
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+1 5 2 MPD ? ? ?
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+##
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+_diffrn.id 1
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+_diffrn.crystal_id 1
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+_diffrn.ambient_temp ?
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+_diffrn.ambient_temp_details ?
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+##
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+_diffrn_detector.diffrn_id 1
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+_diffrn_detector.detector DIFFRACTOMETER
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+_diffrn_detector.type ?
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+_diffrn_detector.pdbx_collection_date ?
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+_diffrn_detector.details ?
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+##
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+_diffrn_radiation.diffrn_id 1
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+_diffrn_radiation.wavelength_id 1
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+_diffrn_radiation.pdbx_monochromatic_or_laue_m_l ?
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+_diffrn_radiation.monochromator ?
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+_diffrn_radiation.pdbx_diffrn_protocol ?
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+_diffrn_radiation.pdbx_scattering_type x-ray
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+##
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+_diffrn_radiation_wavelength.id 1
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+_diffrn_radiation_wavelength.wavelength .
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+_diffrn_radiation_wavelength.wt 1.0
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+##
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+_diffrn_source.diffrn_id 1
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+_diffrn_source.source ?
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+_diffrn_source.type ?
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+_diffrn_source.pdbx_synchrotron_site ?
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+_diffrn_source.pdbx_synchrotron_beamline ?
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+_diffrn_source.pdbx_wavelength ?
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+_diffrn_source.pdbx_wavelength_list ?
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+##
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+_reflns.entry_id 1BNA
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+_reflns.observed_criterion_sigma_I ?
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+_reflns.observed_criterion_sigma_F ?
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+_reflns.d_resolution_low 8.0
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+_reflns.d_resolution_high 1.900
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+_reflns.number_obs 5534
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+_reflns.number_all ?
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+_reflns.percent_possible_obs ?
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+_reflns.pdbx_Rmerge_I_obs ?
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+_reflns.pdbx_Rsym_value ?
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+_reflns.pdbx_netI_over_sigmaI ?
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+_reflns.B_iso_Wilson_estimate ?
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+_reflns.pdbx_redundancy ?
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+_reflns.pdbx_diffrn_id 1
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+_reflns.pdbx_ordinal 1
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+##
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+_refine.entry_id 1BNA
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+_refine.ls_number_reflns_obs 2725
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+_refine.ls_number_reflns_all ?
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+_refine.pdbx_ls_sigma_I 2.000
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+_refine.pdbx_ls_sigma_F ?
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+_refine.pdbx_data_cutoff_high_absF ?
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+_refine.pdbx_data_cutoff_low_absF ?
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+_refine.pdbx_data_cutoff_high_rms_absF ?
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+_refine.ls_d_res_low 8.000
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+_refine.ls_d_res_high 1.900
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+_refine.ls_percent_reflns_obs ?
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+_refine.ls_R_factor_obs 0.1780000
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+_refine.ls_R_factor_all ?
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+_refine.ls_R_factor_R_work ?
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+_refine.ls_R_factor_R_free ?
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+_refine.ls_R_factor_R_free_error ?
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+_refine.ls_R_factor_R_free_error_details ?
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+_refine.ls_percent_reflns_R_free ?
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+_refine.ls_number_reflns_R_free ?
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+_refine.ls_number_parameters ?
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+_refine.ls_number_restraints ?
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+_refine.occupancy_min ?
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+_refine.occupancy_max ?
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+_refine.B_iso_mean ?
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+_refine.aniso_B[1][1] ?
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+_refine.aniso_B[2][2] ?
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+_refine.aniso_B[3][3] ?
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+_refine.aniso_B[1][2] ?
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+_refine.aniso_B[1][3] ?
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+_refine.aniso_B[2][3] ?
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+_refine.solvent_model_details ?
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+_refine.solvent_model_param_ksol ?
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+_refine.solvent_model_param_bsol ?
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+_refine.pdbx_ls_cross_valid_method ?
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+_refine.details ?
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+_refine.pdbx_starting_model ?
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+_refine.pdbx_method_to_determine_struct ?
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+_refine.pdbx_isotropic_thermal_model ?
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+_refine.pdbx_stereochemistry_target_values ?
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+_refine.pdbx_stereochem_target_val_spec_case ?
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+_refine.pdbx_R_Free_selection_details ?
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+_refine.pdbx_overall_ESU_R ?
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+_refine.pdbx_overall_ESU_R_Free ?
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+_refine.overall_SU_ML ?
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+_refine.overall_SU_B ?
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+_refine.pdbx_refine_id 'X-RAY DIFFRACTION'
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+_refine.pdbx_diffrn_id 1
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+_refine.pdbx_TLS_residual_ADP_flag ?
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+_refine.correlation_coeff_Fo_to_Fc ?
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+_refine.correlation_coeff_Fo_to_Fc_free ?
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+_refine.pdbx_solvent_vdw_probe_radii ?
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+_refine.pdbx_solvent_ion_probe_radii ?
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+_refine.pdbx_solvent_shrinkage_radii ?
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+_refine.pdbx_overall_phase_error ?
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+_refine.overall_SU_R_Cruickshank_DPI ?
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+_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ?
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+_refine.pdbx_overall_SU_R_Blow_DPI ?
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+_refine.pdbx_overall_SU_R_free_Blow_DPI ?
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+##
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+_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION'
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+_refine_hist.cycle_id LAST
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+_refine_hist.pdbx_number_atoms_protein 0
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+_refine_hist.pdbx_number_atoms_nucleic_acid 486
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+_refine_hist.pdbx_number_atoms_ligand 0
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+_refine_hist.number_atoms_solvent 80
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+_refine_hist.number_atoms_total 566
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+_refine_hist.d_res_high 1.900
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+_refine_hist.d_res_low 8.000
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+##
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+_struct.entry_id 1BNA
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+_struct.title 'STRUCTURE OF A B-DNA DODECAMER. CONFORMATION AND DYNAMICS'
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+_struct.pdbx_descriptor "5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3',290 K"
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+_struct.pdbx_model_details ?
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+_struct.pdbx_CASP_flag ?
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+_struct.pdbx_model_type_details ?
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+##
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+_struct_keywords.entry_id 1BNA
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+_struct_keywords.pdbx_keywords DNA
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+_struct_keywords.text 'B-DNA, DOUBLE HELIX, DNA'
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+##
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+loop_
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+_struct_asym.id
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+_struct_asym.pdbx_blank_PDB_chainid_flag
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+_struct_asym.pdbx_modified
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+_struct_asym.entity_id
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+_struct_asym.details
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+A N N 1 ?
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+B N N 1 ?
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+C N N 2 ?
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+D N N 2 ?
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+##
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+_struct_biol.id 1
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+##
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+loop_
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+_struct_conn.id
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+_struct_conn.conn_type_id
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+_struct_conn.pdbx_leaving_atom_flag
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+_struct_conn.pdbx_PDB_id
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+_struct_conn.ptnr1_label_asym_id
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+_struct_conn.ptnr1_label_comp_id
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+_struct_conn.ptnr1_label_seq_id
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+_struct_conn.ptnr1_label_atom_id
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+_struct_conn.pdbx_ptnr1_label_alt_id
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+_struct_conn.pdbx_ptnr1_PDB_ins_code
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+_struct_conn.pdbx_ptnr1_standard_comp_id
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+_struct_conn.ptnr1_symmetry
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+_struct_conn.ptnr2_label_asym_id
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+_struct_conn.ptnr2_label_comp_id
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+_struct_conn.ptnr2_label_seq_id
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+_struct_conn.ptnr2_label_atom_id
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+_struct_conn.pdbx_ptnr2_label_alt_id
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+_struct_conn.pdbx_ptnr2_PDB_ins_code
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+_struct_conn.ptnr1_auth_asym_id
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+_struct_conn.ptnr1_auth_comp_id
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+_struct_conn.ptnr1_auth_seq_id
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+_struct_conn.ptnr2_auth_asym_id
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+_struct_conn.ptnr2_auth_comp_id
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+_struct_conn.ptnr2_auth_seq_id
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+_struct_conn.ptnr2_symmetry
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+_struct_conn.pdbx_ptnr3_label_atom_id
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+_struct_conn.pdbx_ptnr3_label_seq_id
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+_struct_conn.pdbx_ptnr3_label_comp_id
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+_struct_conn.pdbx_ptnr3_label_asym_id
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+_struct_conn.pdbx_ptnr3_label_alt_id
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+_struct_conn.pdbx_ptnr3_PDB_ins_code
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+_struct_conn.details
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+_struct_conn.pdbx_dist_value
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+_struct_conn.pdbx_value_order
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+hydrog1 hydrog ? ? A DC 1 N3 ? ? ? 1_555 B DG 12 N1 ? ? A DC 1 B DG 24 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
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+hydrog2 hydrog ? ? A DC 1 N4 ? ? ? 1_555 B DG 12 O6 ? ? A DC 1 B DG 24 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
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+hydrog3 hydrog ? ? A DC 1 O2 ? ? ? 1_555 B DG 12 N2 ? ? A DC 1 B DG 24 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
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+hydrog4 hydrog ? ? A DG 2 N1 ? ? ? 1_555 B DC 11 N3 ? ? A DG 2 B DC 23 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
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+hydrog5 hydrog ? ? A DG 2 N2 ? ? ? 1_555 B DC 11 O2 ? ? A DG 2 B DC 23 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
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+hydrog6 hydrog ? ? A DG 2 O6 ? ? ? 1_555 B DC 11 N4 ? ? A DG 2 B DC 23 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
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+hydrog7 hydrog ? ? A DC 3 N3 ? ? ? 1_555 B DG 10 N1 ? ? A DC 3 B DG 22 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
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+hydrog8 hydrog ? ? A DC 3 N4 ? ? ? 1_555 B DG 10 O6 ? ? A DC 3 B DG 22 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
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+hydrog9 hydrog ? ? A DC 3 O2 ? ? ? 1_555 B DG 10 N2 ? ? A DC 3 B DG 22 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
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+hydrog10 hydrog ? ? A DG 4 N1 ? ? ? 1_555 B DC 9 N3 ? ? A DG 4 B DC 21 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
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+hydrog11 hydrog ? ? A DG 4 N2 ? ? ? 1_555 B DC 9 O2 ? ? A DG 4 B DC 21 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
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+hydrog12 hydrog ? ? A DG 4 O6 ? ? ? 1_555 B DC 9 N4 ? ? A DG 4 B DC 21 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
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+hydrog13 hydrog ? ? A DA 5 N1 ? ? ? 1_555 B DT 8 N3 ? ? A DA 5 B DT 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
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+hydrog14 hydrog ? ? A DA 5 N6 ? ? ? 1_555 B DT 8 O4 ? ? A DA 5 B DT 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
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+hydrog15 hydrog ? ? A DA 6 N1 ? ? ? 1_555 B DT 7 N3 ? ? A DA 6 B DT 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
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+hydrog16 hydrog ? ? A DA 6 N6 ? ? ? 1_555 B DT 7 O4 ? ? A DA 6 B DT 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
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+hydrog17 hydrog ? ? A DT 7 N3 ? ? ? 1_555 B DA 6 N1 ? ? A DT 7 B DA 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
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+hydrog18 hydrog ? ? A DT 7 O4 ? ? ? 1_555 B DA 6 N6 ? ? A DT 7 B DA 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
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+hydrog19 hydrog ? ? A DT 8 N3 ? ? ? 1_555 B DA 5 N1 ? ? A DT 8 B DA 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
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+hydrog20 hydrog ? ? A DT 8 O4 ? ? ? 1_555 B DA 5 N6 ? ? A DT 8 B DA 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
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+hydrog21 hydrog ? ? A DC 9 N3 ? ? ? 1_555 B DG 4 N1 ? ? A DC 9 B DG 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
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+hydrog22 hydrog ? ? A DC 9 N4 ? ? ? 1_555 B DG 4 O6 ? ? A DC 9 B DG 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
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+hydrog23 hydrog ? ? A DC 9 O2 ? ? ? 1_555 B DG 4 N2 ? ? A DC 9 B DG 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
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+hydrog24 hydrog ? ? A DG 10 N1 ? ? ? 1_555 B DC 3 N3 ? ? A DG 10 B DC 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
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+hydrog25 hydrog ? ? A DG 10 N2 ? ? ? 1_555 B DC 3 O2 ? ? A DG 10 B DC 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
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+hydrog26 hydrog ? ? A DG 10 O6 ? ? ? 1_555 B DC 3 N4 ? ? A DG 10 B DC 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
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+hydrog27 hydrog ? ? A DC 11 N3 ? ? ? 1_555 B DG 2 N1 ? ? A DC 11 B DG 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
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+hydrog28 hydrog ? ? A DC 11 N4 ? ? ? 1_555 B DG 2 O6 ? ? A DC 11 B DG 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
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+hydrog29 hydrog ? ? A DC 11 O2 ? ? ? 1_555 B DG 2 N2 ? ? A DC 11 B DG 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
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+hydrog30 hydrog ? ? A DG 12 N1 ? ? ? 1_555 B DC 1 N3 ? ? A DG 12 B DC 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
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+hydrog31 hydrog ? ? A DG 12 N2 ? ? ? 1_555 B DC 1 O2 ? ? A DG 12 B DC 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
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+hydrog32 hydrog ? ? A DG 12 O6 ? ? ? 1_555 B DC 1 N4 ? ? A DG 12 B DC 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
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+##
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+_struct_conn_type.id hydrog
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+_struct_conn_type.criteria ?
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+_struct_conn_type.reference ?
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+##
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+_database_PDB_matrix.entry_id 1BNA
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+_database_PDB_matrix.origx[1][1] 1.000000
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+_database_PDB_matrix.origx[1][2] 0.000000
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+_database_PDB_matrix.origx[1][3] 0.000000
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+_database_PDB_matrix.origx[2][1] 0.000000
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+_database_PDB_matrix.origx[2][2] 1.000000
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+_database_PDB_matrix.origx[2][3] 0.000000
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+_database_PDB_matrix.origx[3][1] 0.000000
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+_database_PDB_matrix.origx[3][2] 0.000000
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+_database_PDB_matrix.origx[3][3] 1.000000
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+_database_PDB_matrix.origx_vector[1] 0.00000
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+_database_PDB_matrix.origx_vector[2] 0.00000
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+_database_PDB_matrix.origx_vector[3] 0.00000
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+##
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+_atom_sites.entry_id 1BNA
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+_atom_sites.fract_transf_matrix[1][1] 0.040209
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+_atom_sites.fract_transf_matrix[1][2] 0.000000
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+_atom_sites.fract_transf_matrix[1][3] 0.000000
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+_atom_sites.fract_transf_matrix[2][1] 0.000000
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+_atom_sites.fract_transf_matrix[2][2] 0.024759
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+_atom_sites.fract_transf_matrix[2][3] 0.000000
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+_atom_sites.fract_transf_matrix[3][1] 0.000000
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+_atom_sites.fract_transf_matrix[3][2] 0.000000
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+_atom_sites.fract_transf_matrix[3][3] 0.015106
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+_atom_sites.fract_transf_vector[1] 0.00000
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+_atom_sites.fract_transf_vector[2] 0.00000
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+_atom_sites.fract_transf_vector[3] 0.00000
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+##
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+loop_
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+_atom_type.symbol
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+C
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+N
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+O
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+P
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+##
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+loop_
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+_atom_site.group_PDB
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+_atom_site.id
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+_atom_site.type_symbol
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+_atom_site.label_atom_id
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+_atom_site.label_alt_id
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+_atom_site.label_comp_id
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+_atom_site.label_asym_id
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+_atom_site.label_entity_id
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+_atom_site.label_seq_id
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+_atom_site.pdbx_PDB_ins_code
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+_atom_site.Cartn_x
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+_atom_site.Cartn_y
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+_atom_site.Cartn_z
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+_atom_site.occupancy
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+_atom_site.B_iso_or_equiv
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+_atom_site.pdbx_formal_charge
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+_atom_site.auth_seq_id
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+_atom_site.auth_comp_id
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+_atom_site.auth_asym_id
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+_atom_site.auth_atom_id
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+_atom_site.pdbx_PDB_model_num
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+ATOM 1 O "O5'" . DC A 1 1 ? 18.935 34.195 25.617 1.00 64.35 ? 1 DC A "O5'" 1
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+ATOM 2 C "C5'" . DC A 1 1 ? 19.130 33.921 24.219 1.00 44.69 ? 1 DC A "C5'" 1
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+ATOM 3 C "C4'" . DC A 1 1 ? 19.961 32.668 24.100 1.00 31.28 ? 1 DC A "C4'" 1
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+ATOM 4 O "O4'" . DC A 1 1 ? 19.360 31.583 24.852 1.00 37.45 ? 1 DC A "O4'" 1
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+ATOM 5 C "C3'" . DC A 1 1 ? 20.172 32.122 22.694 1.00 46.72 ? 1 DC A "C3'" 1
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+ATOM 6 O "O3'" . DC A 1 1 ? 21.350 31.325 22.681 1.00 48.89 ? 1 DC A "O3'" 1
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+ATOM 7 C "C2'" . DC A 1 1 ? 18.948 31.223 22.647 1.00 30.88 ? 1 DC A "C2'" 1
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+ATOM 8 C "C1'" . DC A 1 1 ? 19.231 30.482 23.944 1.00 36.58 ? 1 DC A "C1'" 1
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+ATOM 9 N N1 . DC A 1 1 ? 18.070 29.661 24.380 1.00 40.51 ? 1 DC A N1 1
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+ATOM 10 C C2 . DC A 1 1 ? 18.224 28.454 25.015 1.00 16.62 ? 1 DC A C2 1
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+ATOM 11 O O2 . DC A 1 1 ? 19.360 28.014 25.214 1.00 27.75 ? 1 DC A O2 1
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+ATOM 12 N N3 . DC A 1 1 ? 17.143 27.761 25.377 1.00 20.55 ? 1 DC A N3 1
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+ATOM 13 C C4 . DC A 1 1 ? 15.917 28.226 25.120 1.00 34.72 ? 1 DC A C4 1
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+ATOM 14 N N4 . DC A 1 1 ? 14.828 27.477 25.444 1.00 40.31 ? 1 DC A N4 1
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+ATOM 15 C C5 . DC A 1 1 ? 15.719 29.442 24.471 1.00 30.78 ? 1 DC A C5 1
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+ATOM 16 C C6 . DC A 1 1 ? 16.843 30.171 24.101 1.00 25.90 ? 1 DC A C6 1
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+ATOM 17 P P . DG A 1 2 ? 22.409 31.286 21.483 1.00 58.85 ? 2 DG A P 1
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+ATOM 18 O OP1 . DG A 1 2 ? 23.536 32.157 21.851 1.00 57.82 ? 2 DG A OP1 1
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+ATOM 19 O OP2 . DG A 1 2 ? 21.822 31.459 20.139 1.00 78.33 ? 2 DG A OP2 1
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+ATOM 20 O "O5'" . DG A 1 2 ? 22.840 29.751 21.498 1.00 40.36 ? 2 DG A "O5'" 1
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+ATOM 21 C "C5'" . DG A 1 2 ? 23.543 29.175 22.594 1.00 47.19 ? 2 DG A "C5'" 1
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+ATOM 22 C "C4'" . DG A 1 2 ? 23.494 27.709 22.279 1.00 47.81 ? 2 DG A "C4'" 1
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+ATOM 23 O "O4'" . DG A 1 2 ? 22.193 27.252 22.674 1.00 38.76 ? 2 DG A "O4'" 1
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+ATOM 24 C "C3'" . DG A 1 2 ? 23.693 27.325 20.807 1.00 28.58 ? 2 DG A "C3'" 1
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+ATOM 25 O "O3'" . DG A 1 2 ? 24.723 26.320 20.653 1.00 40.44 ? 2 DG A "O3'" 1
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+ATOM 26 C "C2'" . DG A 1 2 ? 22.273 26.885 20.416 1.00 21.14 ? 2 DG A "C2'" 1
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+ATOM 27 C "C1'" . DG A 1 2 ? 21.721 26.304 21.716 1.00 33.95 ? 2 DG A "C1'" 1
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+ATOM 28 N N9 . DG A 1 2 ? 20.237 26.470 21.780 1.00 34.00 ? 2 DG A N9 1
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+ATOM 29 C C8 . DG A 1 2 ? 19.526 27.584 21.429 1.00 36.47 ? 2 DG A C8 1
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+ATOM 30 N N7 . DG A 1 2 ? 18.207 27.455 21.636 1.00 32.37 ? 2 DG A N7 1
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+ATOM 31 C C5 . DG A 1 2 ? 18.083 26.212 22.142 1.00 15.06 ? 2 DG A C5 1
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+ATOM 32 C C6 . DG A 1 2 ? 16.904 25.525 22.545 1.00 11.88 ? 2 DG A C6 1
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+ATOM 33 O O6 . DG A 1 2 ? 15.739 25.916 22.518 1.00 21.30 ? 2 DG A O6 1
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+ATOM 34 N N1 . DG A 1 2 ? 17.197 24.279 23.037 1.00 15.44 ? 2 DG A N1 1
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+ATOM 35 C C2 . DG A 1 2 ? 18.434 23.717 23.155 1.00 9.63 ? 2 DG A C2 1
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+ATOM 36 N N2 . DG A 1 2 ? 18.508 22.456 23.668 1.00 16.69 ? 2 DG A N2 1
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+ATOM 37 N N3 . DG A 1 2 ? 19.537 24.360 22.770 1.00 30.98 ? 2 DG A N3 1
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+ATOM 38 C C4 . DG A 1 2 ? 19.290 25.594 22.274 1.00 18.56 ? 2 DG A C4 1
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+ATOM 39 P P . DC A 1 3 ? 25.064 25.621 19.252 1.00 44.67 ? 3 DC A P 1
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+ATOM 40 O OP1 . DC A 1 3 ? 26.506 25.316 19.220 1.00 53.89 ? 3 DC A OP1 1
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+ATOM 41 O OP2 . DC A 1 3 ? 24.559 26.412 18.115 1.00 57.79 ? 3 DC A OP2 1
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+ATOM 42 O "O5'" . DC A 1 3 ? 24.260 24.246 19.327 1.00 35.42 ? 3 DC A "O5'" 1
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+ATOM 43 C "C5'" . DC A 1 3 ? 24.584 23.285 20.335 1.00 45.75 ? 3 DC A "C5'" 1
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+ATOM 44 C "C4'" . DC A 1 3 ? 23.523 22.233 20.245 1.00 43.02 ? 3 DC A "C4'" 1
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+ATOM 45 O "O4'" . DC A 1 3 ? 22.256 22.844 20.453 1.00 36.85 ? 3 DC A "O4'" 1
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+ATOM 46 C "C3'" . DC A 1 3 ? 23.424 21.557 18.903 1.00 40.14 ? 3 DC A "C3'" 1
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+ATOM 47 O "O3'" . DC A 1 3 ? 24.121 20.309 18.928 1.00 49.62 ? 3 DC A "O3'" 1
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+ATOM 48 C "C2'" . DC A 1 3 ? 21.930 21.406 18.661 1.00 53.79 ? 3 DC A "C2'" 1
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+ATOM 49 C "C1'" . DC A 1 3 ? 21.278 21.966 19.909 1.00 22.18 ? 3 DC A "C1'" 1
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+ATOM 50 N N1 . DC A 1 3 ? 20.196 22.889 19.521 1.00 25.44 ? 3 DC A N1 1
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+ATOM 51 C C2 . DC A 1 3 ? 18.909 22.584 19.816 1.00 19.81 ? 3 DC A C2 1
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+ATOM 52 O O2 . DC A 1 3 ? 18.685 21.512 20.382 1.00 29.92 ? 3 DC A O2 1
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+ATOM 53 N N3 . DC A 1 3 ? 17.935 23.447 19.502 1.00 21.59 ? 3 DC A N3 1
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+ATOM 54 C C4 . DC A 1 3 ? 18.217 24.603 18.897 1.00 14.01 ? 3 DC A C4 1
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+ATOM 55 N N4 . DC A 1 3 ? 17.221 25.499 18.629 1.00 26.88 ? 3 DC A N4 1
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+ATOM 56 C C5 . DC A 1 3 ? 19.526 24.945 18.571 1.00 27.59 ? 3 DC A C5 1
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+ATOM 57 C C6 . DC A 1 3 ? 20.537 24.048 18.899 1.00 27.05 ? 3 DC A C6 1
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+ATOM 58 P P . DG A 1 4 ? 24.249 19.412 17.617 1.00 44.54 ? 4 DG A P 1
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+ATOM 59 O OP1 . DG A 1 4 ? 25.420 18.535 17.765 1.00 61.90 ? 4 DG A OP1 1
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+ATOM 60 O OP2 . DG A 1 4 ? 24.208 20.296 16.440 1.00 37.36 ? 4 DG A OP2 1
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+ATOM 61 O "O5'" . DG A 1 4 ? 22.931 18.537 17.670 1.00 32.01 ? 4 DG A "O5'" 1
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+ATOM 62 C "C5'" . DG A 1 4 ? 22.714 17.625 18.753 1.00 37.89 ? 4 DG A "C5'" 1
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+ATOM 63 C "C4'" . DG A 1 4 ? 21.393 16.960 18.505 1.00 53.00 ? 4 DG A "C4'" 1
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+ATOM 64 O "O4'" . DG A 1 4 ? 20.353 17.952 18.496 1.00 38.79 ? 4 DG A "O4'" 1
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+ATOM 65 C "C3'" . DG A 1 4 ? 21.264 16.229 17.176 1.00 56.72 ? 4 DG A "C3'" 1
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+ATOM 66 O "O3'" . DG A 1 4 ? 20.284 15.214 17.238 1.00 64.12 ? 4 DG A "O3'" 1
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+ATOM 67 C "C2'" . DG A 1 4 ? 20.793 17.368 16.288 1.00 40.81 ? 4 DG A "C2'" 1
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+ATOM 68 C "C1'" . DG A 1 4 ? 19.716 17.901 17.218 1.00 30.52 ? 4 DG A "C1'" 1
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+ATOM 69 N N9 . DG A 1 4 ? 19.305 19.281 16.869 1.00 28.53 ? 4 DG A N9 1
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+ATOM 70 C C8 . DG A 1 4 ? 20.017 20.263 16.232 1.00 27.82 ? 4 DG A C8 1
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+ATOM 71 N N7 . DG A 1 4 ? 19.313 21.394 16.077 1.00 28.01 ? 4 DG A N7 1
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+ATOM 72 C C5 . DG A 1 4 ? 18.121 21.100 16.635 1.00 23.22 ? 4 DG A C5 1
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+ATOM 73 C C6 . DG A 1 4 ? 16.952 21.904 16.749 1.00 29.21 ? 4 DG A C6 1
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|
|
+ATOM 74 O O6 . DG A 1 4 ? 16.769 23.057 16.368 1.00 38.58 ? 4 DG A O6 1
|
|
|
+ATOM 75 N N1 . DG A 1 4 ? 15.933 21.214 17.352 1.00 27.94 ? 4 DG A N1 1
|
|
|
+ATOM 76 C C2 . DG A 1 4 ? 15.972 19.930 17.816 1.00 23.44 ? 4 DG A C2 1
|
|
|
+ATOM 77 N N2 . DG A 1 4 ? 14.831 19.416 18.353 1.00 42.64 ? 4 DG A N2 1
|
|
|
+ATOM 78 N N3 . DG A 1 4 ? 17.068 19.179 17.717 1.00 21.56 ? 4 DG A N3 1
|
|
|
+ATOM 79 C C4 . DG A 1 4 ? 18.084 19.825 17.121 1.00 23.44 ? 4 DG A C4 1
|
|
|
+ATOM 80 P P . DA A 1 5 ? 20.356 13.969 16.245 1.00 57.01 ? 5 DA A P 1
|
|
|
+ATOM 81 O OP1 . DA A 1 5 ? 21.116 12.891 16.892 1.00 58.59 ? 5 DA A OP1 1
|
|
|
+ATOM 82 O OP2 . DA A 1 5 ? 20.837 14.423 14.910 1.00 51.96 ? 5 DA A OP2 1
|
|
|
+ATOM 83 O "O5'" . DA A 1 5 ? 18.810 13.581 16.161 1.00 47.12 ? 5 DA A "O5'" 1
|
|
|
+ATOM 84 C "C5'" . DA A 1 5 ? 18.015 13.569 17.362 1.00 47.67 ? 5 DA A "C5'" 1
|
|
|
+ATOM 85 C "C4'" . DA A 1 5 ? 16.672 14.088 16.957 1.00 64.79 ? 5 DA A "C4'" 1
|
|
|
+ATOM 86 O "O4'" . DA A 1 5 ? 16.842 15.447 16.561 1.00 47.60 ? 5 DA A "O4'" 1
|
|
|
+ATOM 87 C "C3'" . DA A 1 5 ? 16.019 13.393 15.764 1.00 51.50 ? 5 DA A "C3'" 1
|
|
|
+ATOM 88 O "O3'" . DA A 1 5 ? 14.762 12.796 16.120 1.00 52.18 ? 5 DA A "O3'" 1
|
|
|
+ATOM 89 C "C2'" . DA A 1 5 ? 15.952 14.498 14.696 1.00 45.00 ? 5 DA A "C2'" 1
|
|
|
+ATOM 90 C "C1'" . DA A 1 5 ? 15.851 15.732 15.569 1.00 26.88 ? 5 DA A "C1'" 1
|
|
|
+ATOM 91 N N9 . DA A 1 5 ? 16.391 16.916 14.867 1.00 16.69 ? 5 DA A N9 1
|
|
|
+ATOM 92 C C8 . DA A 1 5 ? 17.658 17.103 14.382 1.00 28.14 ? 5 DA A C8 1
|
|
|
+ATOM 93 N N7 . DA A 1 5 ? 17.863 18.346 13.913 1.00 34.85 ? 5 DA A N7 1
|
|
|
+ATOM 94 C C5 . DA A 1 5 ? 16.673 18.953 14.098 1.00 22.49 ? 5 DA A C5 1
|
|
|
+ATOM 95 C C6 . DA A 1 5 ? 16.230 20.279 13.819 1.00 18.12 ? 5 DA A C6 1
|
|
|
+ATOM 96 N N6 . DA A 1 5 ? 17.045 21.222 13.268 1.00 29.30 ? 5 DA A N6 1
|
|
|
+ATOM 97 N N1 . DA A 1 5 ? 14.966 20.578 14.118 1.00 27.61 ? 5 DA A N1 1
|
|
|
+ATOM 98 C C2 . DA A 1 5 ? 14.178 19.652 14.669 1.00 18.53 ? 5 DA A C2 1
|
|
|
+ATOM 99 N N3 . DA A 1 5 ? 14.463 18.392 14.984 1.00 29.16 ? 5 DA A N3 1
|
|
|
+ATOM 100 C C4 . DA A 1 5 ? 15.750 18.110 14.661 1.00 15.08 ? 5 DA A C4 1
|
|
|
+ATOM 101 P P . DA A 1 6 ? 13.866 12.006 15.063 1.00 43.68 ? 6 DA A P 1
|
|
|
+ATOM 102 O OP1 . DA A 1 6 ? 13.028 11.039 15.800 1.00 42.55 ? 6 DA A OP1 1
|
|
|
+ATOM 103 O OP2 . DA A 1 6 ? 14.715 11.499 13.968 1.00 54.20 ? 6 DA A OP2 1
|
|
|
+ATOM 104 O "O5'" . DA A 1 6 ? 12.879 13.111 14.480 1.00 28.20 ? 6 DA A "O5'" 1
|
|
|
+ATOM 105 C "C5'" . DA A 1 6 ? 11.802 13.597 15.290 1.00 42.29 ? 6 DA A "C5'" 1
|
|
|
+ATOM 106 C "C4'" . DA A 1 6 ? 11.111 14.603 14.435 1.00 33.23 ? 6 DA A "C4'" 1
|
|
|
+ATOM 107 O "O4'" . DA A 1 6 ? 12.152 15.460 13.962 1.00 41.48 ? 6 DA A "O4'" 1
|
|
|
+ATOM 108 C "C3'" . DA A 1 6 ? 10.417 14.070 13.187 1.00 18.16 ? 6 DA A "C3'" 1
|
|
|
+ATOM 109 O "O3'" . DA A 1 6 ? 9.007 14.369 13.181 1.00 30.42 ? 6 DA A "O3'" 1
|
|
|
+ATOM 110 C "C2'" . DA A 1 6 ? 11.240 14.692 12.061 1.00 52.97 ? 6 DA A "C2'" 1
|
|
|
+ATOM 111 C "C1'" . DA A 1 6 ? 11.699 15.974 12.719 1.00 38.93 ? 6 DA A "C1'" 1
|
|
|
+ATOM 112 N N9 . DA A 1 6 ? 12.918 16.526 12.078 1.00 19.06 ? 6 DA A N9 1
|
|
|
+ATOM 113 C C8 . DA A 1 6 ? 14.115 15.899 11.868 1.00 17.83 ? 6 DA A C8 1
|
|
|
+ATOM 114 N N7 . DA A 1 6 ? 15.049 16.714 11.356 1.00 29.55 ? 6 DA A N7 1
|
|
|
+ATOM 115 C C5 . DA A 1 6 ? 14.416 17.901 11.246 1.00 19.88 ? 6 DA A C5 1
|
|
|
+ATOM 116 C C6 . DA A 1 6 ? 14.873 19.187 10.815 1.00 17.26 ? 6 DA A C6 1
|
|
|
+ATOM 117 N N6 . DA A 1 6 ? 16.161 19.418 10.427 1.00 19.85 ? 6 DA A N6 1
|
|
|
+ATOM 118 N N1 . DA A 1 6 ? 13.999 20.191 10.852 1.00 17.93 ? 6 DA A N1 1
|
|
|
+ATOM 119 C C2 . DA A 1 6 ? 12.753 19.962 11.272 1.00 23.00 ? 6 DA A C2 1
|
|
|
+ATOM 120 N N3 . DA A 1 6 ? 12.210 18.824 11.698 1.00 21.37 ? 6 DA A N3 1
|
|
|
+ATOM 121 C C4 . DA A 1 6 ? 13.116 17.823 11.657 1.00 15.93 ? 6 DA A C4 1
|
|
|
+ATOM 122 P P . DT A 1 7 ? 8.081 14.050 11.915 1.00 40.72 ? 7 DT A P 1
|
|
|
+ATOM 123 O OP1 . DT A 1 7 ? 6.668 13.960 12.342 1.00 46.75 ? 7 DT A OP1 1
|
|
|
+ATOM 124 O OP2 . DT A 1 7 ? 8.600 12.894 11.137 1.00 42.53 ? 7 DT A OP2 1
|
|
|
+ATOM 125 O "O5'" . DT A 1 7 ? 8.239 15.387 11.076 1.00 35.21 ? 7 DT A "O5'" 1
|
|
|
+ATOM 126 C "C5'" . DT A 1 7 ? 7.907 16.635 11.686 1.00 34.88 ? 7 DT A "C5'" 1
|
|
|
+ATOM 127 C "C4'" . DT A 1 7 ? 8.162 17.628 10.598 1.00 31.45 ? 7 DT A "C4'" 1
|
|
|
+ATOM 128 O "O4'" . DT A 1 7 ? 9.543 17.580 10.279 1.00 46.82 ? 7 DT A "O4'" 1
|
|
|
+ATOM 129 C "C3'" . DT A 1 7 ? 7.461 17.284 9.296 1.00 23.76 ? 7 DT A "C3'" 1
|
|
|
+ATOM 130 O "O3'" . DT A 1 7 ? 6.251 18.034 9.162 1.00 44.27 ? 7 DT A "O3'" 1
|
|
|
+ATOM 131 C "C2'" . DT A 1 7 ? 8.532 17.527 8.223 1.00 26.30 ? 7 DT A "C2'" 1
|
|
|
+ATOM 132 C "C1'" . DT A 1 7 ? 9.644 18.209 9.019 1.00 28.96 ? 7 DT A "C1'" 1
|
|
|
+ATOM 133 N N1 . DT A 1 7 ? 11.021 17.903 8.565 1.00 20.47 ? 7 DT A N1 1
|
|
|
+ATOM 134 C C2 . DT A 1 7 ? 11.822 18.923 8.176 1.00 28.01 ? 7 DT A C2 1
|
|
|
+ATOM 135 O O2 . DT A 1 7 ? 11.383 20.077 8.143 1.00 40.01 ? 7 DT A O2 1
|
|
|
+ATOM 136 N N3 . DT A 1 7 ? 13.119 18.641 7.852 1.00 27.94 ? 7 DT A N3 1
|
|
|
+ATOM 137 C C4 . DT A 1 7 ? 13.633 17.372 7.882 1.00 15.14 ? 7 DT A C4 1
|
|
|
+ATOM 138 O O4 . DT A 1 7 ? 14.830 17.222 7.619 1.00 32.54 ? 7 DT A O4 1
|
|
|
+ATOM 139 C C5 . DT A 1 7 ? 12.781 16.325 8.235 1.00 10.83 ? 7 DT A C5 1
|
|
|
+ATOM 140 C C7 . DT A 1 7 ? 13.269 14.902 8.236 1.00 36.33 ? 7 DT A C7 1
|
|
|
+ATOM 141 C C6 . DT A 1 7 ? 11.465 16.616 8.594 1.00 12.19 ? 7 DT A C6 1
|
|
|
+ATOM 142 P P . DT A 1 8 ? 5.384 17.990 7.824 1.00 49.10 ? 8 DT A P 1
|
|
|
+ATOM 143 O OP1 . DT A 1 8 ? 4.025 18.444 8.180 1.00 41.11 ? 8 DT A OP1 1
|
|
|
+ATOM 144 O OP2 . DT A 1 8 ? 5.458 16.668 7.160 1.00 39.21 ? 8 DT A OP2 1
|
|
|
+ATOM 145 O "O5'" . DT A 1 8 ? 6.086 19.118 6.927 1.00 48.80 ? 8 DT A "O5'" 1
|
|
|
+ATOM 146 C "C5'" . DT A 1 8 ? 6.146 20.478 7.418 1.00 34.73 ? 8 DT A "C5'" 1
|
|
|
+ATOM 147 C "C4'" . DT A 1 8 ? 6.995 21.229 6.438 1.00 28.73 ? 8 DT A "C4'" 1
|
|
|
+ATOM 148 O "O4'" . DT A 1 8 ? 8.188 20.458 6.284 1.00 39.07 ? 8 DT A "O4'" 1
|
|
|
+ATOM 149 C "C3'" . DT A 1 8 ? 6.418 21.332 5.029 1.00 37.88 ? 8 DT A "C3'" 1
|
|
|
+ATOM 150 O "O3'" . DT A 1 8 ? 5.967 22.667 4.696 1.00 52.04 ? 8 DT A "O3'" 1
|
|
|
+ATOM 151 C "C2'" . DT A 1 8 ? 7.513 20.718 4.139 1.00 32.80 ? 8 DT A "C2'" 1
|
|
|
+ATOM 152 C "C1'" . DT A 1 8 ? 8.736 20.855 5.034 1.00 36.58 ? 8 DT A "C1'" 1
|
|
|
+ATOM 153 N N1 . DT A 1 8 ? 9.823 19.876 4.759 1.00 24.57 ? 8 DT A N1 1
|
|
|
+ATOM 154 C C2 . DT A 1 8 ? 11.086 20.316 4.494 1.00 19.41 ? 8 DT A C2 1
|
|
|
+ATOM 155 O O2 . DT A 1 8 ? 11.324 21.516 4.389 1.00 32.74 ? 8 DT A O2 1
|
|
|
+ATOM 156 N N3 . DT A 1 8 ? 12.094 19.403 4.412 1.00 25.12 ? 8 DT A N3 1
|
|
|
+ATOM 157 C C4 . DT A 1 8 ? 11.876 18.060 4.551 1.00 31.35 ? 8 DT A C4 1
|
|
|
+ATOM 158 O O4 . DT A 1 8 ? 12.858 17.317 4.503 1.00 28.53 ? 8 DT A O4 1
|
|
|
+ATOM 159 C C5 . DT A 1 8 ? 10.569 17.611 4.765 1.00 22.80 ? 8 DT A C5 1
|
|
|
+ATOM 160 C C7 . DT A 1 8 ? 10.261 16.140 4.896 1.00 24.98 ? 8 DT A C7 1
|
|
|
+ATOM 161 C C6 . DT A 1 8 ? 9.545 18.548 4.904 1.00 20.28 ? 8 DT A C6 1
|
|
|
+ATOM 162 P P . DC A 1 9 ? 5.531 23.071 3.209 1.00 48.97 ? 9 DC A P 1
|
|
|
+ATOM 163 O OP1 . DC A 1 9 ? 4.648 24.244 3.269 1.00 62.33 ? 9 DC A OP1 1
|
|
|
+ATOM 164 O OP2 . DC A 1 9 ? 5.010 21.905 2.470 1.00 51.53 ? 9 DC A OP2 1
|
|
|
+ATOM 165 O "O5'" . DC A 1 9 ? 6.926 23.547 2.611 1.00 43.99 ? 9 DC A "O5'" 1
|
|
|
+ATOM 166 C "C5'" . DC A 1 9 ? 7.636 24.627 3.249 1.00 50.86 ? 9 DC A "C5'" 1
|
|
|
+ATOM 167 C "C4'" . DC A 1 9 ? 8.897 24.853 2.457 1.00 46.66 ? 9 DC A "C4'" 1
|
|
|
+ATOM 168 O "O4'" . DC A 1 9 ? 9.638 23.627 2.448 1.00 42.69 ? 9 DC A "O4'" 1
|
|
|
+ATOM 169 C "C3'" . DC A 1 9 ? 8.717 25.240 0.998 1.00 56.96 ? 9 DC A "C3'" 1
|
|
|
+ATOM 170 O "O3'" . DC A 1 9 ? 9.470 26.414 0.667 1.00 63.54 ? 9 DC A "O3'" 1
|
|
|
+ATOM 171 C "C2'" . DC A 1 9 ? 9.126 23.965 0.253 1.00 50.41 ? 9 DC A "C2'" 1
|
|
|
+ATOM 172 C "C1'" . DC A 1 9 ? 10.241 23.483 1.157 1.00 41.08 ? 9 DC A "C1'" 1
|
|
|
+ATOM 173 N N1 . DC A 1 9 ? 10.524 22.022 1.015 1.00 37.23 ? 9 DC A N1 1
|
|
|
+ATOM 174 C C2 . DC A 1 9 ? 11.814 21.603 0.840 1.00 40.54 ? 9 DC A C2 1
|
|
|
+ATOM 175 O O2 . DC A 1 9 ? 12.691 22.447 0.670 1.00 43.89 ? 9 DC A O2 1
|
|
|
+ATOM 176 N N3 . DC A 1 9 ? 12.106 20.297 0.873 1.00 32.57 ? 9 DC A N3 1
|
|
|
+ATOM 177 C C4 . DC A 1 9 ? 11.141 19.395 1.046 1.00 24.65 ? 9 DC A C4 1
|
|
|
+ATOM 178 N N4 . DC A 1 9 ? 11.461 18.075 1.089 1.00 27.84 ? 9 DC A N4 1
|
|
|
+ATOM 179 C C5 . DC A 1 9 ? 9.803 19.775 1.177 1.00 17.61 ? 9 DC A C5 1
|
|
|
+ATOM 180 C C6 . DC A 1 9 ? 9.499 21.133 1.167 1.00 30.63 ? 9 DC A C6 1
|
|
|
+ATOM 181 P P . DG A 1 10 ? 9.055 27.333 -0.581 1.00 65.48 ? 10 DG A P 1
|
|
|
+ATOM 182 O OP1 . DG A 1 10 ? 9.496 28.717 -0.258 1.00 59.09 ? 10 DG A OP1 1
|
|
|
+ATOM 183 O OP2 . DG A 1 10 ? 7.632 27.106 -0.947 1.00 45.71 ? 10 DG A OP2 1
|
|
|
+ATOM 184 O "O5'" . DG A 1 10 ? 9.954 26.765 -1.771 1.00 70.30 ? 10 DG A "O5'" 1
|
|
|
+ATOM 185 C "C5'" . DG A 1 10 ? 11.382 26.940 -1.720 1.00 71.73 ? 10 DG A "C5'" 1
|
|
|
+ATOM 186 C "C4'" . DG A 1 10 ? 11.972 26.090 -2.802 1.00 58.69 ? 10 DG A "C4'" 1
|
|
|
+ATOM 187 O "O4'" . DG A 1 10 ? 11.802 24.724 -2.404 1.00 41.03 ? 10 DG A "O4'" 1
|
|
|
+ATOM 188 C "C3'" . DG A 1 10 ? 11.327 26.178 -4.188 1.00 45.61 ? 10 DG A "C3'" 1
|
|
|
+ATOM 189 O "O3'" . DG A 1 10 ? 12.311 26.096 -5.214 1.00 52.70 ? 10 DG A "O3'" 1
|
|
|
+ATOM 190 C "C2'" . DG A 1 10 ? 10.414 24.962 -4.186 1.00 36.02 ? 10 DG A "C2'" 1
|
|
|
+ATOM 191 C "C1'" . DG A 1 10 ? 11.429 24.028 -3.587 1.00 50.90 ? 10 DG A "C1'" 1
|
|
|
+ATOM 192 N N9 . DG A 1 10 ? 10.890 22.713 -3.200 1.00 45.86 ? 10 DG A N9 1
|
|
|
+ATOM 193 C C8 . DG A 1 10 ? 9.616 22.315 -2.910 1.00 44.49 ? 10 DG A C8 1
|
|
|
+ATOM 194 N N7 . DG A 1 10 ? 9.541 21.009 -2.613 1.00 39.96 ? 10 DG A N7 1
|
|
|
+ATOM 195 C C5 . DG A 1 10 ? 10.818 20.588 -2.718 1.00 38.99 ? 10 DG A C5 1
|
|
|
+ATOM 196 C C6 . DG A 1 10 ? 11.376 19.292 -2.511 1.00 35.78 ? 10 DG A C6 1
|
|
|
+ATOM 197 O O6 . DG A 1 10 ? 10.813 18.252 -2.179 1.00 34.90 ? 10 DG A O6 1
|
|
|
+ATOM 198 N N1 . DG A 1 10 ? 12.729 19.299 -2.720 1.00 23.54 ? 10 DG A N1 1
|
|
|
+ATOM 199 C C2 . DG A 1 10 ? 13.498 20.365 -3.082 1.00 8.73 ? 10 DG A C2 1
|
|
|
+ATOM 200 N N2 . DG A 1 10 ? 14.834 20.169 -3.237 1.00 23.15 ? 10 DG A N2 1
|
|
|
+ATOM 201 N N3 . DG A 1 10 ? 12.982 21.573 -3.267 1.00 24.68 ? 10 DG A N3 1
|
|
|
+ATOM 202 C C4 . DG A 1 10 ? 11.656 21.601 -3.061 1.00 31.53 ? 10 DG A C4 1
|
|
|
+ATOM 203 P P . DC A 1 11 ? 12.763 27.421 -5.980 1.00 60.62 ? 11 DC A P 1
|
|
|
+ATOM 204 O OP1 . DC A 1 11 ? 12.796 28.572 -5.049 1.00 63.74 ? 11 DC A OP1 1
|
|
|
+ATOM 205 O OP2 . DC A 1 11 ? 11.886 27.542 -7.164 1.00 52.44 ? 11 DC A OP2 1
|
|
|
+ATOM 206 O "O5'" . DC A 1 11 ? 14.272 27.086 -6.366 1.00 57.57 ? 11 DC A "O5'" 1
|
|
|
+ATOM 207 C "C5'" . DC A 1 11 ? 15.275 27.108 -5.318 1.00 54.70 ? 11 DC A "C5'" 1
|
|
|
+ATOM 208 C "C4'" . DC A 1 11 ? 16.222 25.946 -5.510 1.00 72.51 ? 11 DC A "C4'" 1
|
|
|
+ATOM 209 O "O4'" . DC A 1 11 ? 15.443 24.754 -5.397 1.00 47.18 ? 11 DC A "O4'" 1
|
|
|
+ATOM 210 C "C3'" . DC A 1 11 ? 16.942 25.827 -6.848 1.00 29.82 ? 11 DC A "C3'" 1
|
|
|
+ATOM 211 O "O3'" . DC A 1 11 ? 18.340 25.511 -6.701 1.00 43.53 ? 11 DC A "O3'" 1
|
|
|
+ATOM 212 C "C2'" . DC A 1 11 ? 16.118 24.767 -7.578 1.00 51.34 ? 11 DC A "C2'" 1
|
|
|
+ATOM 213 C "C1'" . DC A 1 11 ? 15.856 23.836 -6.414 1.00 30.07 ? 11 DC A "C1'" 1
|
|
|
+ATOM 214 N N1 . DC A 1 11 ? 14.672 22.975 -6.637 1.00 23.25 ? 11 DC A N1 1
|
|
|
+ATOM 215 C C2 . DC A 1 11 ? 14.802 21.628 -6.529 1.00 20.38 ? 11 DC A C2 1
|
|
|
+ATOM 216 O O2 . DC A 1 11 ? 15.924 21.178 -6.314 1.00 38.77 ? 11 DC A O2 1
|
|
|
+ATOM 217 N N3 . DC A 1 11 ? 13.723 20.842 -6.627 1.00 15.92 ? 11 DC A N3 1
|
|
|
+ATOM 218 C C4 . DC A 1 11 ? 12.515 21.373 -6.836 1.00 15.82 ? 11 DC A C4 1
|
|
|
+ATOM 219 N N4 . DC A 1 11 ? 11.410 20.574 -6.872 1.00 28.04 ? 11 DC A N4 1
|
|
|
+ATOM 220 C C5 . DC A 1 11 ? 12.348 22.744 -6.978 1.00 26.17 ? 11 DC A C5 1
|
|
|
+ATOM 221 C C6 . DC A 1 11 ? 13.470 23.558 -6.869 1.00 35.50 ? 11 DC A C6 1
|
|
|
+ATOM 222 P P . DG A 1 12 ? 19.331 25.774 -7.925 1.00 55.98 ? 12 DG A P 1
|
|
|
+ATOM 223 O OP1 . DG A 1 12 ? 20.704 25.976 -7.408 1.00 45.83 ? 12 DG A OP1 1
|
|
|
+ATOM 224 O OP2 . DG A 1 12 ? 18.763 26.851 -8.758 1.00 44.26 ? 12 DG A OP2 1
|
|
|
+ATOM 225 O "O5'" . DG A 1 12 ? 19.302 24.412 -8.763 1.00 62.63 ? 12 DG A "O5'" 1
|
|
|
+ATOM 226 C "C5'" . DG A 1 12 ? 20.109 23.284 -8.359 1.00 69.50 ? 12 DG A "C5'" 1
|
|
|
+ATOM 227 C "C4'" . DG A 1 12 ? 19.748 22.167 -9.299 1.00 39.92 ? 12 DG A "C4'" 1
|
|
|
+ATOM 228 O "O4'" . DG A 1 12 ? 18.350 21.969 -9.139 1.00 32.00 ? 12 DG A "O4'" 1
|
|
|
+ATOM 229 C "C3'" . DG A 1 12 ? 19.921 22.404 -10.815 1.00 50.39 ? 12 DG A "C3'" 1
|
|
|
+ATOM 230 O "O3'" . DG A 1 12 ? 20.985 21.635 -11.401 1.00 64.13 ? 12 DG A "O3'" 1
|
|
|
+ATOM 231 C "C2'" . DG A 1 12 ? 18.535 22.062 -11.381 1.00 36.18 ? 12 DG A "C2'" 1
|
|
|
+ATOM 232 C "C1'" . DG A 1 12 ? 17.965 21.200 -10.269 1.00 24.79 ? 12 DG A "C1'" 1
|
|
|
+ATOM 233 N N9 . DG A 1 12 ? 16.493 21.220 -10.265 1.00 28.44 ? 12 DG A N9 1
|
|
|
+ATOM 234 C C8 . DG A 1 12 ? 15.663 22.289 -10.478 1.00 31.85 ? 12 DG A C8 1
|
|
|
+ATOM 235 N N7 . DG A 1 12 ? 14.368 21.958 -10.390 1.00 38.26 ? 12 DG A N7 1
|
|
|
+ATOM 236 C C5 . DG A 1 12 ? 14.388 20.640 -10.102 1.00 28.99 ? 12 DG A C5 1
|
|
|
+ATOM 237 C C6 . DG A 1 12 ? 13.301 19.742 -9.856 1.00 42.63 ? 12 DG A C6 1
|
|
|
+ATOM 238 O O6 . DG A 1 12 ? 12.091 19.967 -9.857 1.00 49.17 ? 12 DG A O6 1
|
|
|
+ATOM 239 N N1 . DG A 1 12 ? 13.750 18.466 -9.625 1.00 40.15 ? 12 DG A N1 1
|
|
|
+ATOM 240 C C2 . DG A 1 12 ? 15.042 18.043 -9.605 1.00 33.42 ? 12 DG A C2 1
|
|
|
+ATOM 241 N N2 . DG A 1 12 ? 15.259 16.717 -9.406 1.00 40.53 ? 12 DG A N2 1
|
|
|
+ATOM 242 N N3 . DG A 1 12 ? 16.061 18.885 -9.792 1.00 37.34 ? 12 DG A N3 1
|
|
|
+ATOM 243 C C4 . DG A 1 12 ? 15.660 20.156 -10.027 1.00 31.14 ? 12 DG A C4 1
|
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+ATOM 244 O "O5'" . DC B 1 1 ? 7.458 11.884 -9.070 1.00 66.23 ? 13 DC B "O5'" 1
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+ATOM 245 C "C5'" . DC B 1 1 ? 8.252 10.968 -9.854 1.00 71.49 ? 13 DC B "C5'" 1
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|
+ATOM 246 C "C4'" . DC B 1 1 ? 9.714 11.141 -9.512 1.00 56.82 ? 13 DC B "C4'" 1
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|
+ATOM 247 O "O4'" . DC B 1 1 ? 10.144 12.455 -9.908 1.00 57.92 ? 13 DC B "O4'" 1
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|
+ATOM 248 C "C3'" . DC B 1 1 ? 10.103 10.989 -8.055 1.00 34.34 ? 13 DC B "C3'" 1
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+ATOM 249 O "O3'" . DC B 1 1 ? 11.293 10.221 -7.904 1.00 42.11 ? 13 DC B "O3'" 1
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+ATOM 250 C "C2'" . DC B 1 1 ? 10.254 12.437 -7.607 1.00 29.08 ? 13 DC B "C2'" 1
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|
+ATOM 251 C "C1'" . DC B 1 1 ? 10.896 13.044 -8.837 1.00 38.40 ? 13 DC B "C1'" 1
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+ATOM 252 N N1 . DC B 1 1 ? 10.575 14.487 -8.944 1.00 34.33 ? 13 DC B N1 1
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+ATOM 253 C C2 . DC B 1 1 ? 11.559 15.430 -9.006 1.00 22.98 ? 13 DC B C2 1
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|
+ATOM 254 O O2 . DC B 1 1 ? 12.725 15.066 -8.932 1.00 50.83 ? 13 DC B O2 1
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+ATOM 255 N N3 . DC B 1 1 ? 11.246 16.714 -9.193 1.00 37.14 ? 13 DC B N3 1
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+ATOM 256 C C4 . DC B 1 1 ? 9.980 17.088 -9.334 1.00 42.60 ? 13 DC B C4 1
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|
+ATOM 257 N N4 . DC B 1 1 ? 9.698 18.395 -9.589 1.00 54.91 ? 13 DC B N4 1
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+ATOM 258 C C5 . DC B 1 1 ? 8.939 16.162 -9.274 1.00 56.67 ? 13 DC B C5 1
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+ATOM 259 C C6 . DC B 1 1 ? 9.265 14.824 -9.080 1.00 49.21 ? 13 DC B C6 1
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+ATOM 260 P P . DG B 1 2 ? 11.602 9.510 -6.502 1.00 60.42 ? 14 DG B P 1
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+ATOM 261 O OP1 . DG B 1 2 ? 11.666 8.032 -6.664 1.00 57.44 ? 14 DG B OP1 1
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+ATOM 262 O OP2 . DG B 1 2 ? 10.644 10.010 -5.494 1.00 46.07 ? 14 DG B OP2 1
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|
+ATOM 263 O "O5'" . DG B 1 2 ? 13.051 10.094 -6.177 1.00 50.94 ? 14 DG B "O5'" 1
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|
+ATOM 264 C "C5'" . DG B 1 2 ? 14.100 10.021 -7.156 1.00 34.84 ? 14 DG B "C5'" 1
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|
+ATOM 265 C "C4'" . DG B 1 2 ? 15.113 10.992 -6.657 1.00 48.06 ? 14 DG B "C4'" 1
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|
+ATOM 266 O "O4'" . DG B 1 2 ? 14.556 12.300 -6.755 1.00 37.01 ? 14 DG B "O4'" 1
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|
+ATOM 267 C "C3'" . DG B 1 2 ? 15.445 10.806 -5.189 1.00 50.58 ? 14 DG B "C3'" 1
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+ATOM 268 O "O3'" . DG B 1 2 ? 16.836 10.560 -5.013 1.00 51.98 ? 14 DG B "O3'" 1
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|
+ATOM 269 C "C2'" . DG B 1 2 ? 14.937 12.100 -4.529 1.00 40.32 ? 14 DG B "C2'" 1
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|
+ATOM 270 C "C1'" . DG B 1 2 ? 15.058 13.086 -5.671 1.00 46.69 ? 14 DG B "C1'" 1
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+ATOM 271 N N9 . DG B 1 2 ? 14.036 14.140 -5.536 1.00 29.17 ? 14 DG B N9 1
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|
+ATOM 272 C C8 . DG B 1 2 ? 12.710 13.957 -5.259 1.00 23.48 ? 14 DG B C8 1
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+ATOM 273 N N7 . DG B 1 2 ? 12.016 15.103 -5.269 1.00 37.54 ? 14 DG B N7 1
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|
+ATOM 274 C C5 . DG B 1 2 ? 12.937 16.041 -5.558 1.00 26.27 ? 14 DG B C5 1
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|
+ATOM 275 C C6 . DG B 1 2 ? 12.761 17.451 -5.710 1.00 40.82 ? 14 DG B C6 1
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|
+ATOM 276 O O6 . DG B 1 2 ? 11.723 18.111 -5.630 1.00 44.39 ? 14 DG B O6 1
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|
+ATOM 277 N N1 . DG B 1 2 ? 13.952 18.079 -5.973 1.00 19.52 ? 14 DG B N1 1
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|
+ATOM 278 C C2 . DG B 1 2 ? 15.171 17.485 -6.107 1.00 18.48 ? 14 DG B C2 1
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|
+ATOM 279 N N2 . DG B 1 2 ? 16.244 18.292 -6.325 1.00 36.58 ? 14 DG B N2 1
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|
+ATOM 280 N N3 . DG B 1 2 ? 15.329 16.161 -5.986 1.00 46.96 ? 14 DG B N3 1
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|
+ATOM 281 C C4 . DG B 1 2 ? 14.179 15.499 -5.721 1.00 35.70 ? 14 DG B C4 1
|
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|
+ATOM 282 P P . DC B 1 3 ? 17.478 10.380 -3.569 1.00 46.26 ? 15 DC B P 1
|
|
|
+ATOM 283 O OP1 . DC B 1 3 ? 18.665 9.516 -3.729 1.00 46.07 ? 15 DC B OP1 1
|
|
|
+ATOM 284 O OP2 . DC B 1 3 ? 16.427 9.940 -2.633 1.00 40.43 ? 15 DC B OP2 1
|
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|
+ATOM 285 O "O5'" . DC B 1 3 ? 17.957 11.865 -3.208 1.00 40.97 ? 15 DC B "O5'" 1
|
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|
+ATOM 286 C "C5'" . DC B 1 3 ? 18.963 12.531 -3.996 1.00 28.78 ? 15 DC B "C5'" 1
|
|
|
+ATOM 287 C "C4'" . DC B 1 3 ? 18.936 13.958 -3.536 1.00 32.84 ? 15 DC B "C4'" 1
|
|
|
+ATOM 288 O "O4'" . DC B 1 3 ? 17.592 14.409 -3.622 1.00 37.24 ? 15 DC B "O4'" 1
|
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|
+ATOM 289 C "C3'" . DC B 1 3 ? 19.253 14.139 -2.066 1.00 43.98 ? 15 DC B "C3'" 1
|
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|
+ATOM 290 O "O3'" . DC B 1 3 ? 20.659 14.219 -1.858 1.00 40.90 ? 15 DC B "O3'" 1
|
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|
+ATOM 291 C "C2'" . DC B 1 3 ? 18.520 15.417 -1.728 1.00 36.26 ? 15 DC B "C2'" 1
|
|
|
+ATOM 292 C "C1'" . DC B 1 3 ? 17.545 15.602 -2.872 1.00 20.54 ? 15 DC B "C1'" 1
|
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|
+ATOM 293 N N1 . DC B 1 3 ? 16.145 15.696 -2.428 1.00 23.10 ? 15 DC B N1 1
|
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|
+ATOM 294 C C2 . DC B 1 3 ? 15.507 16.886 -2.558 1.00 32.12 ? 15 DC B C2 1
|
|
|
+ATOM 295 O O2 . DC B 1 3 ? 16.162 17.846 -2.957 1.00 30.04 ? 15 DC B O2 1
|
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|
+ATOM 296 N N3 . DC B 1 3 ? 14.209 16.983 -2.264 1.00 32.94 ? 15 DC B N3 1
|
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|
+ATOM 297 C C4 . DC B 1 3 ? 13.536 15.919 -1.825 1.00 16.43 ? 15 DC B C4 1
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|
+ATOM 298 N N4 . DC B 1 3 ? 12.205 16.017 -1.553 1.00 34.91 ? 15 DC B N4 1
|
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|
+ATOM 299 C C5 . DC B 1 3 ? 14.164 14.689 -1.652 1.00 22.75 ? 15 DC B C5 1
|
|
|
+ATOM 300 C C6 . DC B 1 3 ? 15.509 14.584 -1.979 1.00 26.42 ? 15 DC B C6 1
|
|
|
+ATOM 301 P P . DG B 1 4 ? 21.304 14.529 -0.436 1.00 42.39 ? 16 DG B P 1
|
|
|
+ATOM 302 O OP1 . DG B 1 4 ? 22.696 14.087 -0.524 1.00 60.41 ? 16 DG B OP1 1
|
|
|
+ATOM 303 O OP2 . DG B 1 4 ? 20.488 13.954 0.650 1.00 51.09 ? 16 DG B OP2 1
|
|
|
+ATOM 304 O "O5'" . DG B 1 4 ? 21.306 16.117 -0.363 1.00 45.08 ? 16 DG B "O5'" 1
|
|
|
+ATOM 305 C "C5'" . DG B 1 4 ? 22.177 16.876 -1.212 1.00 33.20 ? 16 DG B "C5'" 1
|
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|
+ATOM 306 C "C4'" . DG B 1 4 ? 21.739 18.292 -1.021 1.00 24.95 ? 16 DG B "C4'" 1
|
|
|
+ATOM 307 O "O4'" . DG B 1 4 ? 20.305 18.225 -1.048 1.00 32.83 ? 16 DG B "O4'" 1
|
|
|
+ATOM 308 C "C3'" . DG B 1 4 ? 22.101 18.959 0.293 1.00 41.12 ? 16 DG B "C3'" 1
|
|
|
+ATOM 309 O "O3'" . DG B 1 4 ? 22.592 20.293 0.097 1.00 53.45 ? 16 DG B "O3'" 1
|
|
|
+ATOM 310 C "C2'" . DG B 1 4 ? 20.820 18.829 1.121 1.00 28.93 ? 16 DG B "C2'" 1
|
|
|
+ATOM 311 C "C1'" . DG B 1 4 ? 19.765 18.985 0.046 1.00 37.44 ? 16 DG B "C1'" 1
|
|
|
+ATOM 312 N N9 . DG B 1 4 ? 18.513 18.299 0.468 1.00 17.75 ? 16 DG B N9 1
|
|
|
+ATOM 313 C C8 . DG B 1 4 ? 18.363 17.062 1.039 1.00 17.96 ? 16 DG B C8 1
|
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|
+ATOM 314 N N7 . DG B 1 4 ? 17.080 16.744 1.281 1.00 24.14 ? 16 DG B N7 1
|
|
|
+ATOM 315 C C5 . DG B 1 4 ? 16.400 17.832 0.868 1.00 9.96 ? 16 DG B C5 1
|
|
|
+ATOM 316 C C6 . DG B 1 4 ? 14.996 18.090 0.882 1.00 18.10 ? 16 DG B C6 1
|
|
|
+ATOM 317 O O6 . DG B 1 4 ? 14.082 17.378 1.280 1.00 31.13 ? 16 DG B O6 1
|
|
|
+ATOM 318 N N1 . DG B 1 4 ? 14.712 19.349 0.418 1.00 17.72 ? 16 DG B N1 1
|
|
|
+ATOM 319 C C2 . DG B 1 4 ? 15.606 20.268 -0.027 1.00 16.23 ? 16 DG B C2 1
|
|
|
+ATOM 320 N N2 . DG B 1 4 ? 15.134 21.493 -0.382 1.00 33.42 ? 16 DG B N2 1
|
|
|
+ATOM 321 N N3 . DG B 1 4 ? 16.912 20.017 -0.072 1.00 26.37 ? 16 DG B N3 1
|
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|
+ATOM 322 C C4 . DG B 1 4 ? 17.236 18.794 0.384 1.00 31.72 ? 16 DG B C4 1
|
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|
+ATOM 323 P P . DA B 1 5 ? 22.904 21.238 1.339 1.00 46.87 ? 17 DA B P 1
|
|
|
+ATOM 324 O OP1 . DA B 1 5 ? 23.994 22.183 1.025 1.00 47.75 ? 17 DA B OP1 1
|
|
|
+ATOM 325 O OP2 . DA B 1 5 ? 23.104 20.390 2.538 1.00 46.81 ? 17 DA B OP2 1
|
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|
+ATOM 326 O "O5'" . DA B 1 5 ? 21.577 22.107 1.390 1.00 39.51 ? 17 DA B "O5'" 1
|
|
|
+ATOM 327 C "C5'" . DA B 1 5 ? 21.216 22.833 0.200 1.00 30.37 ? 17 DA B "C5'" 1
|
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|
+ATOM 328 C "C4'" . DA B 1 5 ? 20.101 23.788 0.484 1.00 35.43 ? 17 DA B "C4'" 1
|
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|
+ATOM 329 O "O4'" . DA B 1 5 ? 18.913 23.054 0.816 1.00 43.05 ? 17 DA B "O4'" 1
|
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|
+ATOM 330 C "C3'" . DA B 1 5 ? 20.347 24.743 1.633 1.00 44.50 ? 17 DA B "C3'" 1
|
|
|
+ATOM 331 O "O3'" . DA B 1 5 ? 19.732 26.010 1.411 1.00 78.59 ? 17 DA B "O3'" 1
|
|
|
+ATOM 332 C "C2'" . DA B 1 5 ? 19.752 23.945 2.791 1.00 44.42 ? 17 DA B "C2'" 1
|
|
|
+ATOM 333 C "C1'" . DA B 1 5 ? 18.497 23.393 2.145 1.00 42.55 ? 17 DA B "C1'" 1
|
|
|
+ATOM 334 N N9 . DA B 1 5 ? 18.079 22.095 2.758 1.00 34.56 ? 17 DA B N9 1
|
|
|
+ATOM 335 C C8 . DA B 1 5 ? 18.847 21.020 3.133 1.00 20.07 ? 17 DA B C8 1
|
|
|
+ATOM 336 N N7 . DA B 1 5 ? 18.114 19.984 3.584 1.00 27.60 ? 17 DA B N7 1
|
|
|
+ATOM 337 C C5 . DA B 1 5 ? 16.842 20.424 3.488 1.00 18.80 ? 17 DA B C5 1
|
|
|
+ATOM 338 C C6 . DA B 1 5 ? 15.577 19.817 3.786 1.00 32.58 ? 17 DA B C6 1
|
|
|
+ATOM 339 N N6 . DA B 1 5 ? 15.448 18.537 4.242 1.00 29.54 ? 17 DA B N6 1
|
|
|
+ATOM 340 N N1 . DA B 1 5 ? 14.482 20.557 3.593 1.00 35.01 ? 17 DA B N1 1
|
|
|
+ATOM 341 C C2 . DA B 1 5 ? 14.597 21.801 3.118 1.00 36.47 ? 17 DA B C2 1
|
|
|
+ATOM 342 N N3 . DA B 1 5 ? 15.700 22.472 2.783 1.00 38.96 ? 17 DA B N3 1
|
|
|
+ATOM 343 C C4 . DA B 1 5 ? 16.791 21.706 3.002 1.00 28.24 ? 17 DA B C4 1
|
|
|
+ATOM 344 P P . DA B 1 6 ? 19.803 27.141 2.526 1.00 46.11 ? 18 DA B P 1
|
|
|
+ATOM 345 O OP1 . DA B 1 6 ? 19.796 28.478 1.888 1.00 49.20 ? 18 DA B OP1 1
|
|
|
+ATOM 346 O OP2 . DA B 1 6 ? 20.953 26.858 3.426 1.00 43.48 ? 18 DA B OP2 1
|
|
|
+ATOM 347 O "O5'" . DA B 1 6 ? 18.396 26.939 3.241 1.00 40.83 ? 18 DA B "O5'" 1
|
|
|
+ATOM 348 C "C5'" . DA B 1 6 ? 17.203 27.028 2.452 1.00 40.72 ? 18 DA B "C5'" 1
|
|
|
+ATOM 349 C "C4'" . DA B 1 6 ? 16.035 26.958 3.388 1.00 66.52 ? 18 DA B "C4'" 1
|
|
|
+ATOM 350 O "O4'" . DA B 1 6 ? 15.856 25.612 3.850 1.00 44.25 ? 18 DA B "O4'" 1
|
|
|
+ATOM 351 C "C3'" . DA B 1 6 ? 16.101 27.861 4.615 1.00 63.34 ? 18 DA B "C3'" 1
|
|
|
+ATOM 352 O "O3'" . DA B 1 6 ? 14.890 28.608 4.757 1.00 55.65 ? 18 DA B "O3'" 1
|
|
|
+ATOM 353 C "C2'" . DA B 1 6 ? 16.368 26.844 5.724 1.00 34.49 ? 18 DA B "C2'" 1
|
|
|
+ATOM 354 C "C1'" . DA B 1 6 ? 15.561 25.655 5.243 1.00 29.45 ? 18 DA B "C1'" 1
|
|
|
+ATOM 355 N N9 . DA B 1 6 ? 16.104 24.373 5.755 1.00 20.03 ? 18 DA B N9 1
|
|
|
+ATOM 356 C C8 . DA B 1 6 ? 17.411 23.967 5.830 1.00 16.51 ? 18 DA B C8 1
|
|
|
+ATOM 357 N N7 . DA B 1 6 ? 17.539 22.706 6.276 1.00 20.58 ? 18 DA B N7 1
|
|
|
+ATOM 358 C C5 . DA B 1 6 ? 16.266 22.309 6.480 1.00 21.66 ? 18 DA B C5 1
|
|
|
+ATOM 359 C C6 . DA B 1 6 ? 15.715 21.073 6.933 1.00 17.93 ? 18 DA B C6 1
|
|
|
+ATOM 360 N N6 . DA B 1 6 ? 16.483 19.994 7.243 1.00 20.37 ? 18 DA B N6 1
|
|
|
+ATOM 361 N N1 . DA B 1 6 ? 14.389 20.994 7.036 1.00 20.81 ? 18 DA B N1 1
|
|
|
+ATOM 362 C C2 . DA B 1 6 ? 13.636 22.041 6.708 1.00 26.77 ? 18 DA B C2 1
|
|
|
+ATOM 363 N N3 . DA B 1 6 ? 14.019 23.234 6.265 1.00 26.83 ? 18 DA B N3 1
|
|
|
+ATOM 364 C C4 . DA B 1 6 ? 15.367 23.291 6.174 1.00 27.48 ? 18 DA B C4 1
|
|
|
+ATOM 365 P P . DT B 1 7 ? 14.604 29.545 6.020 1.00 48.40 ? 19 DT B P 1
|
|
|
+ATOM 366 O OP1 . DT B 1 7 ? 13.792 30.696 5.582 1.00 50.18 ? 19 DT B OP1 1
|
|
|
+ATOM 367 O OP2 . DT B 1 7 ? 15.852 29.836 6.749 1.00 44.42 ? 19 DT B OP2 1
|
|
|
+ATOM 368 O "O5'" . DT B 1 7 ? 13.633 28.628 6.885 1.00 53.86 ? 19 DT B "O5'" 1
|
|
|
+ATOM 369 C "C5'" . DT B 1 7 ? 12.398 28.171 6.303 1.00 55.04 ? 19 DT B "C5'" 1
|
|
|
+ATOM 370 C "C4'" . DT B 1 7 ? 11.809 27.217 7.302 1.00 44.86 ? 19 DT B "C4'" 1
|
|
|
+ATOM 371 O "O4'" . DT B 1 7 ? 12.767 26.184 7.534 1.00 48.52 ? 19 DT B "O4'" 1
|
|
|
+ATOM 372 C "C3'" . DT B 1 7 ? 11.515 27.822 8.669 1.00 41.77 ? 19 DT B "C3'" 1
|
|
|
+ATOM 373 O "O3'" . DT B 1 7 ? 10.103 27.952 8.891 1.00 57.02 ? 19 DT B "O3'" 1
|
|
|
+ATOM 374 C "C2'" . DT B 1 7 ? 12.267 26.906 9.630 1.00 39.28 ? 19 DT B "C2'" 1
|
|
|
+ATOM 375 C "C1'" . DT B 1 7 ? 12.426 25.645 8.799 1.00 27.68 ? 19 DT B "C1'" 1
|
|
|
+ATOM 376 N N1 . DT B 1 7 ? 13.609 24.850 9.205 1.00 21.67 ? 19 DT B N1 1
|
|
|
+ATOM 377 C C2 . DT B 1 7 ? 13.442 23.575 9.656 1.00 31.71 ? 19 DT B C2 1
|
|
|
+ATOM 378 O O2 . DT B 1 7 ? 12.311 23.101 9.802 1.00 36.00 ? 19 DT B O2 1
|
|
|
+ATOM 379 N N3 . DT B 1 7 ? 14.551 22.825 9.913 1.00 24.66 ? 19 DT B N3 1
|
|
|
+ATOM 380 C C4 . DT B 1 7 ? 15.815 23.321 9.777 1.00 40.64 ? 19 DT B C4 1
|
|
|
+ATOM 381 O O4 . DT B 1 7 ? 16.755 22.570 10.029 1.00 31.47 ? 19 DT B O4 1
|
|
|
+ATOM 382 C C5 . DT B 1 7 ? 15.972 24.647 9.362 1.00 31.79 ? 19 DT B C5 1
|
|
|
+ATOM 383 C C7 . DT B 1 7 ? 17.345 25.239 9.234 1.00 30.05 ? 19 DT B C7 1
|
|
|
+ATOM 384 C C6 . DT B 1 7 ? 14.844 25.405 9.048 1.00 14.35 ? 19 DT B C6 1
|
|
|
+ATOM 385 P P . DT B 1 8 ? 9.513 28.533 10.260 1.00 48.24 ? 20 DT B P 1
|
|
|
+ATOM 386 O OP1 . DT B 1 8 ? 8.145 29.007 9.998 1.00 41.28 ? 20 DT B OP1 1
|
|
|
+ATOM 387 O OP2 . DT B 1 8 ? 10.455 29.513 10.841 1.00 53.39 ? 20 DT B OP2 1
|
|
|
+ATOM 388 O "O5'" . DT B 1 8 ? 9.395 27.223 11.153 1.00 36.57 ? 20 DT B "O5'" 1
|
|
|
+ATOM 389 C "C5'" . DT B 1 8 ? 8.576 26.148 10.664 1.00 50.41 ? 20 DT B "C5'" 1
|
|
|
+ATOM 390 C "C4'" . DT B 1 8 ? 8.655 25.060 11.678 1.00 32.08 ? 20 DT B "C4'" 1
|
|
|
+ATOM 391 O "O4'" . DT B 1 8 ? 10.003 24.615 11.764 1.00 48.38 ? 20 DT B "O4'" 1
|
|
|
+ATOM 392 C "C3'" . DT B 1 8 ? 8.272 25.471 13.087 1.00 29.99 ? 20 DT B "C3'" 1
|
|
|
+ATOM 393 O "O3'" . DT B 1 8 ? 7.199 24.657 13.553 1.00 45.14 ? 20 DT B "O3'" 1
|
|
|
+ATOM 394 C "C2'" . DT B 1 8 ? 9.586 25.307 13.860 1.00 32.42 ? 20 DT B "C2'" 1
|
|
|
+ATOM 395 C "C1'" . DT B 1 8 ? 10.190 24.148 13.089 1.00 39.56 ? 20 DT B "C1'" 1
|
|
|
+ATOM 396 N N1 . DT B 1 8 ? 11.660 24.070 13.205 1.00 20.36 ? 20 DT B N1 1
|
|
|
+ATOM 397 C C2 . DT B 1 8 ? 12.257 22.880 13.486 1.00 27.55 ? 20 DT B C2 1
|
|
|
+ATOM 398 O O2 . DT B 1 8 ? 11.583 21.866 13.691 1.00 38.33 ? 20 DT B O2 1
|
|
|
+ATOM 399 N N3 . DT B 1 8 ? 13.620 22.829 13.497 1.00 29.60 ? 20 DT B N3 1
|
|
|
+ATOM 400 C C4 . DT B 1 8 ? 14.402 23.914 13.225 1.00 30.11 ? 20 DT B C4 1
|
|
|
+ATOM 401 O O4 . DT B 1 8 ? 15.625 23.764 13.252 1.00 32.92 ? 20 DT B O4 1
|
|
|
+ATOM 402 C C5 . DT B 1 8 ? 13.774 25.126 12.933 1.00 24.11 ? 20 DT B C5 1
|
|
|
+ATOM 403 C C7 . DT B 1 8 ? 14.563 26.358 12.612 1.00 23.96 ? 20 DT B C7 1
|
|
|
+ATOM 404 C C6 . DT B 1 8 ? 12.385 25.187 12.926 1.00 19.78 ? 20 DT B C6 1
|
|
|
+ATOM 405 P P . DC B 1 9 ? 6.594 24.823 15.016 1.00 54.73 ? 21 DC B P 1
|
|
|
+ATOM 406 O OP1 . DC B 1 9 ? 5.169 24.424 14.987 1.00 53.98 ? 21 DC B OP1 1
|
|
|
+ATOM 407 O OP2 . DC B 1 9 ? 6.870 26.189 15.511 1.00 65.53 ? 21 DC B OP2 1
|
|
|
+ATOM 408 O "O5'" . DC B 1 9 ? 7.409 23.731 15.839 1.00 50.67 ? 21 DC B "O5'" 1
|
|
|
+ATOM 409 C "C5'" . DC B 1 9 ? 7.331 22.352 15.433 1.00 60.86 ? 21 DC B "C5'" 1
|
|
|
+ATOM 410 C "C4'" . DC B 1 9 ? 8.100 21.598 16.461 1.00 40.86 ? 21 DC B "C4'" 1
|
|
|
+ATOM 411 O "O4'" . DC B 1 9 ? 9.478 21.902 16.263 1.00 36.88 ? 21 DC B "O4'" 1
|
|
|
+ATOM 412 C "C3'" . DC B 1 9 ? 7.766 22.045 17.879 1.00 53.80 ? 21 DC B "C3'" 1
|
|
|
+ATOM 413 O "O3'" . DC B 1 9 ? 7.036 21.041 18.611 1.00 79.04 ? 21 DC B "O3'" 1
|
|
|
+ATOM 414 C "C2'" . DC B 1 9 ? 9.123 22.414 18.469 1.00 48.43 ? 21 DC B "C2'" 1
|
|
|
+ATOM 415 C "C1'" . DC B 1 9 ? 10.107 21.743 17.523 1.00 36.51 ? 21 DC B "C1'" 1
|
|
|
+ATOM 416 N N1 . DC B 1 9 ? 11.328 22.556 17.331 1.00 24.72 ? 21 DC B N1 1
|
|
|
+ATOM 417 C C2 . DC B 1 9 ? 12.534 21.939 17.329 1.00 30.96 ? 21 DC B C2 1
|
|
|
+ATOM 418 O O2 . DC B 1 9 ? 12.560 20.731 17.579 1.00 34.53 ? 21 DC B O2 1
|
|
|
+ATOM 419 N N3 . DC B 1 9 ? 13.639 22.639 17.035 1.00 31.69 ? 21 DC B N3 1
|
|
|
+ATOM 420 C C4 . DC B 1 9 ? 13.560 23.938 16.739 1.00 21.53 ? 21 DC B C4 1
|
|
|
+ATOM 421 N N4 . DC B 1 9 ? 14.685 24.628 16.404 1.00 23.72 ? 21 DC B N4 1
|
|
|
+ATOM 422 C C5 . DC B 1 9 ? 12.338 24.609 16.736 1.00 30.74 ? 21 DC B C5 1
|
|
|
+ATOM 423 C C6 . DC B 1 9 ? 11.193 23.878 17.035 1.00 27.58 ? 21 DC B C6 1
|
|
|
+ATOM 424 P P . DG B 1 10 ? 6.509 21.324 20.099 1.00 56.50 ? 22 DG B P 1
|
|
|
+ATOM 425 O OP1 . DG B 1 10 ? 5.387 20.397 20.396 1.00 50.81 ? 22 DG B OP1 1
|
|
|
+ATOM 426 O OP2 . DG B 1 10 ? 6.235 22.774 20.306 1.00 53.84 ? 22 DG B OP2 1
|
|
|
+ATOM 427 O "O5'" . DG B 1 10 ? 7.767 20.924 20.993 1.00 66.30 ? 22 DG B "O5'" 1
|
|
|
+ATOM 428 C "C5'" . DG B 1 10 ? 8.216 19.559 21.073 1.00 73.42 ? 22 DG B "C5'" 1
|
|
|
+ATOM 429 C "C4'" . DG B 1 10 ? 9.422 19.557 21.977 1.00 42.96 ? 22 DG B "C4'" 1
|
|
|
+ATOM 430 O "O4'" . DG B 1 10 ? 10.493 20.260 21.319 1.00 52.87 ? 22 DG B "O4'" 1
|
|
|
+ATOM 431 C "C3'" . DG B 1 10 ? 9.267 20.267 23.325 1.00 38.51 ? 22 DG B "C3'" 1
|
|
|
+ATOM 432 O "O3'" . DG B 1 10 ? 10.088 19.657 24.293 1.00 60.28 ? 22 DG B "O3'" 1
|
|
|
+ATOM 433 C "C2'" . DG B 1 10 ? 9.751 21.670 22.990 1.00 22.00 ? 22 DG B "C2'" 1
|
|
|
+ATOM 434 C "C1'" . DG B 1 10 ? 10.988 21.226 22.256 1.00 24.85 ? 22 DG B "C1'" 1
|
|
|
+ATOM 435 N N9 . DG B 1 10 ? 11.599 22.357 21.543 1.00 25.91 ? 22 DG B N9 1
|
|
|
+ATOM 436 C C8 . DG B 1 10 ? 11.037 23.545 21.159 1.00 23.91 ? 22 DG B C8 1
|
|
|
+ATOM 437 N N7 . DG B 1 10 ? 11.921 24.362 20.566 1.00 39.18 ? 22 DG B N7 1
|
|
|
+ATOM 438 C C5 . DG B 1 10 ? 13.072 23.653 20.580 1.00 25.66 ? 22 DG B C5 1
|
|
|
+ATOM 439 C C6 . DG B 1 10 ? 14.370 24.003 20.102 1.00 28.34 ? 22 DG B C6 1
|
|
|
+ATOM 440 O O6 . DG B 1 10 ? 14.747 25.057 19.585 1.00 31.85 ? 22 DG B O6 1
|
|
|
+ATOM 441 N N1 . DG B 1 10 ? 15.268 22.983 20.308 1.00 25.22 ? 22 DG B N1 1
|
|
|
+ATOM 442 C C2 . DG B 1 10 ? 15.023 21.776 20.891 1.00 11.07 ? 22 DG B C2 1
|
|
|
+ATOM 443 N N2 . DG B 1 10 ? 16.066 20.914 21.038 1.00 25.92 ? 22 DG B N2 1
|
|
|
+ATOM 444 N N3 . DG B 1 10 ? 13.815 21.452 21.350 1.00 19.05 ? 22 DG B N3 1
|
|
|
+ATOM 445 C C4 . DG B 1 10 ? 12.902 22.429 21.151 1.00 23.69 ? 22 DG B C4 1
|
|
|
+ATOM 446 P P . DC B 1 11 ? 9.477 18.627 25.340 1.00 55.93 ? 23 DC B P 1
|
|
|
+ATOM 447 O OP1 . DC B 1 11 ? 8.767 17.534 24.627 1.00 45.14 ? 23 DC B OP1 1
|
|
|
+ATOM 448 O OP2 . DC B 1 11 ? 8.670 19.409 26.312 1.00 41.61 ? 23 DC B OP2 1
|
|
|
+ATOM 449 O "O5'" . DC B 1 11 ? 10.807 18.067 26.034 1.00 59.70 ? 23 DC B "O5'" 1
|
|
|
+ATOM 450 C "C5'" . DC B 1 11 ? 11.688 17.170 25.310 1.00 63.13 ? 23 DC B "C5'" 1
|
|
|
+ATOM 451 C "C4'" . DC B 1 11 ? 13.115 17.573 25.593 1.00 27.86 ? 23 DC B "C4'" 1
|
|
|
+ATOM 452 O "O4'" . DC B 1 11 ? 13.284 18.804 24.893 1.00 50.51 ? 23 DC B "O4'" 1
|
|
|
+ATOM 453 C "C3'" . DC B 1 11 ? 13.441 17.879 27.059 1.00 46.45 ? 23 DC B "C3'" 1
|
|
|
+ATOM 454 O "O3'" . DC B 1 11 ? 14.341 16.938 27.677 1.00 57.21 ? 23 DC B "O3'" 1
|
|
|
+ATOM 455 C "C2'" . DC B 1 11 ? 13.928 19.322 27.025 1.00 68.01 ? 23 DC B "C2'" 1
|
|
|
+ATOM 456 C "C1'" . DC B 1 11 ? 14.312 19.508 25.568 1.00 32.05 ? 23 DC B "C1'" 1
|
|
|
+ATOM 457 N N1 . DC B 1 11 ? 14.144 20.932 25.170 1.00 23.28 ? 23 DC B N1 1
|
|
|
+ATOM 458 C C2 . DC B 1 11 ? 15.199 21.595 24.630 1.00 20.62 ? 23 DC B C2 1
|
|
|
+ATOM 459 O O2 . DC B 1 11 ? 16.257 20.984 24.504 1.00 29.62 ? 23 DC B O2 1
|
|
|
+ATOM 460 N N3 . DC B 1 11 ? 15.067 22.877 24.257 1.00 39.00 ? 23 DC B N3 1
|
|
|
+ATOM 461 C C4 . DC B 1 11 ? 13.898 23.510 24.404 1.00 30.44 ? 23 DC B C4 1
|
|
|
+ATOM 462 N N4 . DC B 1 11 ? 13.771 24.813 24.018 1.00 34.66 ? 23 DC B N4 1
|
|
|
+ATOM 463 C C5 . DC B 1 11 ? 12.795 22.866 24.967 1.00 27.74 ? 23 DC B C5 1
|
|
|
+ATOM 464 C C6 . DC B 1 11 ? 12.935 21.540 25.359 1.00 24.58 ? 23 DC B C6 1
|
|
|
+ATOM 465 P P . DG B 1 12 ? 14.658 17.064 29.247 1.00 53.70 ? 24 DG B P 1
|
|
|
+ATOM 466 O OP1 . DG B 1 12 ? 14.863 15.717 29.825 1.00 61.79 ? 24 DG B OP1 1
|
|
|
+ATOM 467 O OP2 . DG B 1 12 ? 13.633 17.912 29.920 1.00 36.06 ? 24 DG B OP2 1
|
|
|
+ATOM 468 O "O5'" . DG B 1 12 ? 16.033 17.880 29.284 1.00 34.06 ? 24 DG B "O5'" 1
|
|
|
+ATOM 469 C "C5'" . DG B 1 12 ? 17.243 17.320 28.742 1.00 46.57 ? 24 DG B "C5'" 1
|
|
|
+ATOM 470 C "C4'" . DG B 1 12 ? 18.208 18.464 28.758 1.00 50.89 ? 24 DG B "C4'" 1
|
|
|
+ATOM 471 O "O4'" . DG B 1 12 ? 17.716 19.428 27.829 1.00 32.02 ? 24 DG B "O4'" 1
|
|
|
+ATOM 472 C "C3'" . DG B 1 12 ? 18.230 19.236 30.058 1.00 30.38 ? 24 DG B "C3'" 1
|
|
|
+ATOM 473 O "O3'" . DG B 1 12 ? 18.978 18.583 31.084 1.00 61.06 ? 24 DG B "O3'" 1
|
|
|
+ATOM 474 C "C2'" . DG B 1 12 ? 18.885 20.519 29.578 1.00 53.33 ? 24 DG B "C2'" 1
|
|
|
+ATOM 475 C "C1'" . DG B 1 12 ? 18.276 20.693 28.188 1.00 35.03 ? 24 DG B "C1'" 1
|
|
|
+ATOM 476 N N9 . DG B 1 12 ? 17.164 21.659 28.139 1.00 30.25 ? 24 DG B N9 1
|
|
|
+ATOM 477 C C8 . DG B 1 12 ? 15.874 21.536 28.580 1.00 30.86 ? 24 DG B C8 1
|
|
|
+ATOM 478 N N7 . DG B 1 12 ? 15.129 22.614 28.308 1.00 44.08 ? 24 DG B N7 1
|
|
|
+ATOM 479 C C5 . DG B 1 12 ? 15.990 23.436 27.673 1.00 16.87 ? 24 DG B C5 1
|
|
|
+ATOM 480 C C6 . DG B 1 12 ? 15.765 24.729 27.117 1.00 19.36 ? 24 DG B C6 1
|
|
|
+ATOM 481 O O6 . DG B 1 12 ? 14.719 25.373 27.067 1.00 33.30 ? 24 DG B O6 1
|
|
|
+ATOM 482 N N1 . DG B 1 12 ? 16.926 25.257 26.604 1.00 15.78 ? 24 DG B N1 1
|
|
|
+ATOM 483 C C2 . DG B 1 12 ? 18.157 24.666 26.579 1.00 11.92 ? 24 DG B C2 1
|
|
|
+ATOM 484 N N2 . DG B 1 12 ? 19.208 25.386 26.096 1.00 29.76 ? 24 DG B N2 1
|
|
|
+ATOM 485 N N3 . DG B 1 12 ? 18.350 23.438 27.053 1.00 21.95 ? 24 DG B N3 1
|
|
|
+ATOM 486 C C4 . DG B 1 12 ? 17.231 22.893 27.570 1.00 13.89 ? 24 DG B C4 1
|
|
|
+HETATM 487 O O . HOH C 2 . ? 19.736 30.706 18.656 1.00 51.86 ? 25 HOH A O 1
|
|
|
+HETATM 488 O O . HOH C 2 . ? 10.879 26.039 -8.906 1.00 47.07 ? 31 HOH A O 1
|
|
|
+HETATM 489 O O . HOH C 2 . ? 18.320 24.816 14.948 1.00 47.72 ? 32 HOH A O 1
|
|
|
+HETATM 490 O O . HOH C 2 . ? 9.821 13.442 8.572 1.00 45.76 ? 36 HOH A O 1
|
|
|
+HETATM 491 O O . HOH C 2 . ? 8.915 15.602 -3.388 1.00 50.97 ? 38 HOH A O 1
|
|
|
+HETATM 492 O O . HOH C 2 . ? 17.505 26.340 -10.581 1.00 51.90 ? 39 HOH A O 1
|
|
|
+HETATM 493 O O . HOH C 2 . ? 28.496 23.515 18.349 1.00 45.37 ? 40 HOH A O 1
|
|
|
+HETATM 494 O O . HOH C 2 . ? 11.346 24.175 4.920 1.00 45.03 ? 41 HOH A O 1
|
|
|
+HETATM 495 O O . HOH C 2 . ? 9.098 16.119 1.277 1.00 51.80 ? 50 HOH A O 1
|
|
|
+HETATM 496 O O . HOH C 2 . ? 16.488 29.195 19.861 1.00 54.92 ? 54 HOH A O 1
|
|
|
+HETATM 497 O O . HOH C 2 . ? 22.078 25.894 15.396 1.00 62.20 ? 55 HOH A O 1
|
|
|
+HETATM 498 O O . HOH C 2 . ? 7.133 14.448 4.647 1.00 57.15 ? 58 HOH A O 1
|
|
|
+HETATM 499 O O . HOH C 2 . ? 14.095 28.151 21.614 1.00 53.85 ? 62 HOH A O 1
|
|
|
+HETATM 500 O O . HOH C 2 . ? 27.164 31.710 20.331 1.00 56.84 ? 64 HOH A O 1
|
|
|
+HETATM 501 O O . HOH C 2 . ? 15.295 11.873 12.209 1.00 57.34 ? 65 HOH A O 1
|
|
|
+HETATM 502 O O . HOH C 2 . ? 18.180 16.604 9.966 1.00 61.52 ? 66 HOH A O 1
|
|
|
+HETATM 503 O O . HOH C 2 . ? 6.216 17.035 1.672 1.00 62.91 ? 67 HOH A O 1
|
|
|
+HETATM 504 O O . HOH C 2 . ? 7.055 25.519 -2.053 1.00 55.96 ? 70 HOH A O 1
|
|
|
+HETATM 505 O O . HOH C 2 . ? 12.454 11.354 9.415 1.00 68.40 ? 74 HOH A O 1
|
|
|
+HETATM 506 O O . HOH C 2 . ? 11.492 29.103 20.090 1.00 67.46 ? 76 HOH A O 1
|
|
|
+HETATM 507 O O . HOH C 2 . ? 14.220 29.189 20.392 1.00 48.22 ? 77 HOH A O 1
|
|
|
+HETATM 508 O O . HOH C 2 . ? 6.138 19.149 13.844 1.00 62.26 ? 78 HOH A O 1
|
|
|
+HETATM 509 O O . HOH C 2 . ? 17.315 9.638 13.392 1.00 65.70 ? 79 HOH A O 1
|
|
|
+HETATM 510 O O . HOH C 2 . ? 18.951 25.757 12.989 1.00 66.47 ? 80 HOH A O 1
|
|
|
+HETATM 511 O O . HOH C 2 . ? 20.460 18.861 12.664 1.00 63.00 ? 81 HOH A O 1
|
|
|
+HETATM 512 O O . HOH C 2 . ? 3.529 19.338 12.599 1.00 65.32 ? 82 HOH A O 1
|
|
|
+HETATM 513 O O . HOH C 2 . ? 16.223 12.351 9.406 1.00 63.59 ? 84 HOH A O 1
|
|
|
+HETATM 514 O O . HOH C 2 . ? 12.989 29.901 -9.282 1.00 64.97 ? 85 HOH A O 1
|
|
|
+HETATM 515 O O . HOH C 2 . ? 17.510 30.569 18.702 1.00 61.79 ? 86 HOH A O 1
|
|
|
+HETATM 516 O O . HOH C 2 . ? 25.377 12.891 19.011 1.00 73.80 ? 87 HOH A O 1
|
|
|
+HETATM 517 O O . HOH C 2 . ? 13.610 15.742 18.593 1.00 69.48 ? 88 HOH A O 1
|
|
|
+HETATM 518 O O . HOH C 2 . ? 18.012 32.598 15.262 1.00 67.52 ? 89 HOH A O 1
|
|
|
+HETATM 519 O O . HOH C 2 . ? 8.723 13.216 6.359 1.00 70.66 ? 92 HOH A O 1
|
|
|
+HETATM 520 O O . HOH C 2 . ? 18.779 13.814 11.704 1.00 71.14 ? 97 HOH A O 1
|
|
|
+HETATM 521 O O . HOH C 2 . ? 12.227 25.192 -10.299 1.00 70.46 ? 99 HOH A O 1
|
|
|
+HETATM 522 O O . HOH C 2 . ? 12.292 30.291 27.102 1.00 73.04 ? 100 HOH A O 1
|
|
|
+HETATM 523 O O . HOH C 2 . ? 20.170 23.000 12.999 1.00 73.63 ? 102 HOH A O 1
|
|
|
+HETATM 524 O O . HOH D 2 . ? 14.354 27.683 16.369 1.00 40.92 ? 26 HOH B O 1
|
|
|
+HETATM 525 O O . HOH D 2 . ? 9.864 22.509 9.123 1.00 39.67 ? 27 HOH B O 1
|
|
|
+HETATM 526 O O . HOH D 2 . ? 19.526 19.144 7.481 1.00 51.15 ? 28 HOH B O 1
|
|
|
+HETATM 527 O O . HOH D 2 . ? 25.754 12.744 -1.835 1.00 51.80 ? 29 HOH B O 1
|
|
|
+HETATM 528 O O . HOH D 2 . ? 7.478 20.604 -9.000 1.00 44.82 ? 30 HOH B O 1
|
|
|
+HETATM 529 O O . HOH D 2 . ? 9.012 24.586 7.009 1.00 43.42 ? 33 HOH B O 1
|
|
|
+HETATM 530 O O . HOH D 2 . ? 10.152 19.917 13.381 1.00 48.04 ? 34 HOH B O 1
|
|
|
+HETATM 531 O O . HOH D 2 . ? 7.764 21.397 11.075 1.00 41.41 ? 35 HOH B O 1
|
|
|
+HETATM 532 O O . HOH D 2 . ? 13.239 14.428 2.049 1.00 55.54 ? 37 HOH B O 1
|
|
|
+HETATM 533 O O . HOH D 2 . ? 12.601 23.000 29.167 1.00 51.36 ? 42 HOH B O 1
|
|
|
+HETATM 534 O O . HOH D 2 . ? 10.440 25.542 24.443 1.00 56.79 ? 43 HOH B O 1
|
|
|
+HETATM 535 O O . HOH D 2 . ? 16.979 28.689 16.284 1.00 50.41 ? 44 HOH B O 1
|
|
|
+HETATM 536 O O . HOH D 2 . ? 4.794 22.966 13.368 1.00 45.95 ? 45 HOH B O 1
|
|
|
+HETATM 537 O O . HOH D 2 . ? 4.208 25.591 10.828 1.00 51.06 ? 46 HOH B O 1
|
|
|
+HETATM 538 O O . HOH D 2 . ? 6.362 24.374 9.188 1.00 51.85 ? 47 HOH B O 1
|
|
|
+HETATM 539 O O . HOH D 2 . ? 7.688 28.411 7.883 1.00 49.33 ? 48 HOH B O 1
|
|
|
+HETATM 540 O O . HOH D 2 . ? 18.379 17.074 4.809 1.00 50.72 ? 49 HOH B O 1
|
|
|
+HETATM 541 O O . HOH D 2 . ? 26.464 23.826 1.396 1.00 53.21 ? 51 HOH B O 1
|
|
|
+HETATM 542 O O . HOH D 2 . ? 11.014 11.318 -2.909 1.00 51.36 ? 52 HOH B O 1
|
|
|
+HETATM 543 O O . HOH D 2 . ? 9.476 27.782 26.498 1.00 60.04 ? 53 HOH B O 1
|
|
|
+HETATM 544 O O . HOH D 2 . ? 5.522 27.411 9.017 1.00 62.36 ? 56 HOH B O 1
|
|
|
+HETATM 545 O O . HOH D 2 . ? 18.456 28.409 8.821 1.00 59.63 ? 57 HOH B O 1
|
|
|
+HETATM 546 O O . HOH D 2 . ? 22.610 15.544 3.846 1.00 57.52 ? 59 HOH B O 1
|
|
|
+HETATM 547 O O . HOH D 2 . ? 24.407 13.162 2.229 1.00 52.30 ? 60 HOH B O 1
|
|
|
+HETATM 548 O O . HOH D 2 . ? 7.988 11.556 -2.976 1.00 59.14 ? 61 HOH B O 1
|
|
|
+HETATM 549 O O . HOH D 2 . ? 14.213 27.722 18.905 1.00 57.29 ? 63 HOH B O 1
|
|
|
+HETATM 550 O O . HOH D 2 . ? 19.101 11.433 1.080 1.00 59.79 ? 68 HOH B O 1
|
|
|
+HETATM 551 O O . HOH D 2 . ? 12.607 10.967 0.261 1.00 60.87 ? 69 HOH B O 1
|
|
|
+HETATM 552 O O . HOH D 2 . ? 15.062 26.024 -0.766 1.00 56.35 ? 71 HOH B O 1
|
|
|
+HETATM 553 O O . HOH D 2 . ? 16.380 6.413 -4.784 1.00 59.07 ? 72 HOH B O 1
|
|
|
+HETATM 554 O O . HOH D 2 . ? 14.059 5.751 -6.198 1.00 56.68 ? 73 HOH B O 1
|
|
|
+HETATM 555 O O . HOH D 2 . ? 9.613 17.039 29.793 1.00 63.48 ? 75 HOH B O 1
|
|
|
+HETATM 556 O O . HOH D 2 . ? 25.276 15.890 -1.301 1.00 64.53 ? 83 HOH B O 1
|
|
|
+HETATM 557 O O . HOH D 2 . ? 2.622 23.030 10.332 1.00 68.01 ? 90 HOH B O 1
|
|
|
+HETATM 558 O O . HOH D 2 . ? 19.701 22.518 9.511 1.00 70.25 ? 91 HOH B O 1
|
|
|
+HETATM 559 O O . HOH D 2 . ? 19.727 29.488 6.155 1.00 69.43 ? 93 HOH B O 1
|
|
|
+HETATM 560 O O . HOH D 2 . ? 17.241 11.563 4.511 1.00 72.18 ? 94 HOH B O 1
|
|
|
+HETATM 561 O O . HOH D 2 . ? 26.545 19.404 -1.091 1.00 70.14 ? 95 HOH B O 1
|
|
|
+HETATM 562 O O . HOH D 2 . ? 9.697 18.315 14.885 1.00 69.10 ? 96 HOH B O 1
|
|
|
+HETATM 563 O O . HOH D 2 . ? 14.292 25.159 2.287 1.00 68.44 ? 98 HOH B O 1
|
|
|
+HETATM 564 O O . HOH D 2 . ? 9.396 27.092 16.993 1.00 72.98 ? 101 HOH B O 1
|
|
|
+HETATM 565 O O . HOH D 2 . ? 19.987 21.691 6.802 1.00 72.66 ? 103 HOH B O 1
|
|
|
+HETATM 566 O O . HOH D 2 . ? 18.692 31.584 4.596 1.00 72.98 ? 104 HOH B O 1
|
|
|
+##
|
|
|
+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 DC 1 1 1 DC C A . n
|
|
|
+A 1 2 DG 2 2 2 DG G A . n
|
|
|
+A 1 3 DC 3 3 3 DC C A . n
|
|
|
+A 1 4 DG 4 4 4 DG G A . n
|
|
|
+A 1 5 DA 5 5 5 DA A A . n
|
|
|
+A 1 6 DA 6 6 6 DA A A . n
|
|
|
+A 1 7 DT 7 7 7 DT T A . n
|
|
|
+A 1 8 DT 8 8 8 DT T A . n
|
|
|
+A 1 9 DC 9 9 9 DC C A . n
|
|
|
+A 1 10 DG 10 10 10 DG G A . n
|
|
|
+A 1 11 DC 11 11 11 DC C A . n
|
|
|
+A 1 12 DG 12 12 12 DG G A . n
|
|
|
+B 1 1 DC 1 13 13 DC C B . n
|
|
|
+B 1 2 DG 2 14 14 DG G B . n
|
|
|
+B 1 3 DC 3 15 15 DC C B . n
|
|
|
+B 1 4 DG 4 16 16 DG G B . n
|
|
|
+B 1 5 DA 5 17 17 DA A B . n
|
|
|
+B 1 6 DA 6 18 18 DA A B . n
|
|
|
+B 1 7 DT 7 19 19 DT T B . n
|
|
|
+B 1 8 DT 8 20 20 DT T B . n
|
|
|
+B 1 9 DC 9 21 21 DC C B . n
|
|
|
+B 1 10 DG 10 22 22 DG G B . n
|
|
|
+B 1 11 DC 11 23 23 DC C B . n
|
|
|
+B 1 12 DG 12 24 24 DG G B . n
|
|
|
+##
|
|
|
+loop_
|
|
|
+_pdbx_nonpoly_scheme.asym_id
|
|
|
+_pdbx_nonpoly_scheme.entity_id
|
|
|
+_pdbx_nonpoly_scheme.mon_id
|
|
|
+_pdbx_nonpoly_scheme.ndb_seq_num
|
|
|
+_pdbx_nonpoly_scheme.pdb_seq_num
|
|
|
+_pdbx_nonpoly_scheme.auth_seq_num
|
|
|
+_pdbx_nonpoly_scheme.pdb_mon_id
|
|
|
+_pdbx_nonpoly_scheme.auth_mon_id
|
|
|
+_pdbx_nonpoly_scheme.pdb_strand_id
|
|
|
+_pdbx_nonpoly_scheme.pdb_ins_code
|
|
|
+C 2 HOH 1 25 25 HOH HOH A .
|
|
|
+C 2 HOH 2 31 31 HOH HOH A .
|
|
|
+C 2 HOH 3 32 32 HOH HOH A .
|
|
|
+C 2 HOH 4 36 36 HOH HOH A .
|
|
|
+C 2 HOH 5 38 38 HOH HOH A .
|
|
|
+C 2 HOH 6 39 39 HOH HOH A .
|
|
|
+C 2 HOH 7 40 40 HOH HOH A .
|
|
|
+C 2 HOH 8 41 41 HOH HOH A .
|
|
|
+C 2 HOH 9 50 50 HOH HOH A .
|
|
|
+C 2 HOH 10 54 54 HOH HOH A .
|
|
|
+C 2 HOH 11 55 55 HOH HOH A .
|
|
|
+C 2 HOH 12 58 58 HOH HOH A .
|
|
|
+C 2 HOH 13 62 62 HOH HOH A .
|
|
|
+C 2 HOH 14 64 64 HOH HOH A .
|
|
|
+C 2 HOH 15 65 65 HOH HOH A .
|
|
|
+C 2 HOH 16 66 66 HOH HOH A .
|
|
|
+C 2 HOH 17 67 67 HOH HOH A .
|
|
|
+C 2 HOH 18 70 70 HOH HOH A .
|
|
|
+C 2 HOH 19 74 74 HOH HOH A .
|
|
|
+C 2 HOH 20 76 76 HOH HOH A .
|
|
|
+C 2 HOH 21 77 77 HOH HOH A .
|
|
|
+C 2 HOH 22 78 78 HOH HOH A .
|
|
|
+C 2 HOH 23 79 79 HOH HOH A .
|
|
|
+C 2 HOH 24 80 80 HOH HOH A .
|
|
|
+C 2 HOH 25 81 81 HOH HOH A .
|
|
|
+C 2 HOH 26 82 82 HOH HOH A .
|
|
|
+C 2 HOH 27 84 84 HOH HOH A .
|
|
|
+C 2 HOH 28 85 85 HOH HOH A .
|
|
|
+C 2 HOH 29 86 86 HOH HOH A .
|
|
|
+C 2 HOH 30 87 87 HOH HOH A .
|
|
|
+C 2 HOH 31 88 88 HOH HOH A .
|
|
|
+C 2 HOH 32 89 89 HOH HOH A .
|
|
|
+C 2 HOH 33 92 92 HOH HOH A .
|
|
|
+C 2 HOH 34 97 97 HOH HOH A .
|
|
|
+C 2 HOH 35 99 99 HOH HOH A .
|
|
|
+C 2 HOH 36 100 100 HOH HOH A .
|
|
|
+C 2 HOH 37 102 102 HOH HOH A .
|
|
|
+D 2 HOH 1 26 26 HOH HOH B .
|
|
|
+D 2 HOH 2 27 27 HOH HOH B .
|
|
|
+D 2 HOH 3 28 28 HOH HOH B .
|
|
|
+D 2 HOH 4 29 29 HOH HOH B .
|
|
|
+D 2 HOH 5 30 30 HOH HOH B .
|
|
|
+D 2 HOH 6 33 33 HOH HOH B .
|
|
|
+D 2 HOH 7 34 34 HOH HOH B .
|
|
|
+D 2 HOH 8 35 35 HOH HOH B .
|
|
|
+D 2 HOH 9 37 37 HOH HOH B .
|
|
|
+D 2 HOH 10 42 42 HOH HOH B .
|
|
|
+D 2 HOH 11 43 43 HOH HOH B .
|
|
|
+D 2 HOH 12 44 44 HOH HOH B .
|
|
|
+D 2 HOH 13 45 45 HOH HOH B .
|
|
|
+D 2 HOH 14 46 46 HOH HOH B .
|
|
|
+D 2 HOH 15 47 47 HOH HOH B .
|
|
|
+D 2 HOH 16 48 48 HOH HOH B .
|
|
|
+D 2 HOH 17 49 49 HOH HOH B .
|
|
|
+D 2 HOH 18 51 51 HOH HOH B .
|
|
|
+D 2 HOH 19 52 52 HOH HOH B .
|
|
|
+D 2 HOH 20 53 53 HOH HOH B .
|
|
|
+D 2 HOH 21 56 56 HOH HOH B .
|
|
|
+D 2 HOH 22 57 57 HOH HOH B .
|
|
|
+D 2 HOH 23 59 59 HOH HOH B .
|
|
|
+D 2 HOH 24 60 60 HOH HOH B .
|
|
|
+D 2 HOH 25 61 61 HOH HOH B .
|
|
|
+D 2 HOH 26 63 63 HOH HOH B .
|
|
|
+D 2 HOH 27 68 68 HOH HOH B .
|
|
|
+D 2 HOH 28 69 69 HOH HOH B .
|
|
|
+D 2 HOH 29 71 71 HOH HOH B .
|
|
|
+D 2 HOH 30 72 72 HOH HOH B .
|
|
|
+D 2 HOH 31 73 73 HOH HOH B .
|
|
|
+D 2 HOH 32 75 75 HOH HOH B .
|
|
|
+D 2 HOH 33 83 83 HOH HOH B .
|
|
|
+D 2 HOH 34 90 90 HOH HOH B .
|
|
|
+D 2 HOH 35 91 91 HOH HOH B .
|
|
|
+D 2 HOH 36 93 93 HOH HOH B .
|
|
|
+D 2 HOH 37 94 94 HOH HOH B .
|
|
|
+D 2 HOH 38 95 95 HOH HOH B .
|
|
|
+D 2 HOH 39 96 96 HOH HOH B .
|
|
|
+D 2 HOH 40 98 98 HOH HOH B .
|
|
|
+D 2 HOH 41 101 101 HOH HOH B .
|
|
|
+D 2 HOH 42 103 103 HOH HOH B .
|
|
|
+D 2 HOH 43 104 104 HOH HOH B .
|
|
|
+##
|
|
|
+_pdbx_struct_assembly.id 1
|
|
|
+_pdbx_struct_assembly.details author_defined_assembly
|
|
|
+_pdbx_struct_assembly.method_details ?
|
|
|
+_pdbx_struct_assembly.oligomeric_details dimeric
|
|
|
+_pdbx_struct_assembly.oligomeric_count 2
|
|
|
+##
|
|
|
+_pdbx_struct_assembly_gen.assembly_id 1
|
|
|
+_pdbx_struct_assembly_gen.oper_expression 1
|
|
|
+_pdbx_struct_assembly_gen.asym_id_list A,B,C,D
|
|
|
+##
|
|
|
+_pdbx_struct_oper_list.id 1
|
|
|
+_pdbx_struct_oper_list.type 'identity operation'
|
|
|
+_pdbx_struct_oper_list.name 1_555
|
|
|
+_pdbx_struct_oper_list.symmetry_operation x,y,z
|
|
|
+_pdbx_struct_oper_list.matrix[1][1] 1.0000000000
|
|
|
+_pdbx_struct_oper_list.matrix[1][2] 0.0000000000
|
|
|
+_pdbx_struct_oper_list.matrix[1][3] 0.0000000000
|
|
|
+_pdbx_struct_oper_list.vector[1] 0.0000000000
|
|
|
+_pdbx_struct_oper_list.matrix[2][1] 0.0000000000
|
|
|
+_pdbx_struct_oper_list.matrix[2][2] 1.0000000000
|
|
|
+_pdbx_struct_oper_list.matrix[2][3] 0.0000000000
|
|
|
+_pdbx_struct_oper_list.vector[2] 0.0000000000
|
|
|
+_pdbx_struct_oper_list.matrix[3][1] 0.0000000000
|
|
|
+_pdbx_struct_oper_list.matrix[3][2] 0.0000000000
|
|
|
+_pdbx_struct_oper_list.matrix[3][3] 1.0000000000
|
|
|
+_pdbx_struct_oper_list.vector[3] 0.0000000000
|
|
|
+##
|
|
|
+loop_
|
|
|
+_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 1981-05-21
|
|
|
+2 'Structure model' 1 1 2008-05-22
|
|
|
+3 'Structure model' 1 2 2011-07-13
|
|
|
+##
|
|
|
+_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 ?
|
|
|
+##
|
|
|
+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'
|
|
|
+##
|
|
|
+loop_
|
|
|
+_refine_B_iso.class
|
|
|
+_refine_B_iso.details
|
|
|
+_refine_B_iso.treatment
|
|
|
+_refine_B_iso.pdbx_refine_id
|
|
|
+'ALL ATOMS' TR isotropic 'X-RAY DIFFRACTION'
|
|
|
+'ALL WATERS' TR isotropic 'X-RAY DIFFRACTION'
|
|
|
+##
|
|
|
+loop_
|
|
|
+_refine_occupancy.class
|
|
|
+_refine_occupancy.treatment
|
|
|
+_refine_occupancy.pdbx_refine_id
|
|
|
+'ALL ATOMS' fix 'X-RAY DIFFRACTION'
|
|
|
+'ALL WATERS' fix 'X-RAY DIFFRACTION'
|
|
|
+##
|
|
|
+_software.name JACK-LEVITT
|
|
|
+_software.classification refinement
|
|
|
+_software.version .
|
|
|
+_software.citation_id ?
|
|
|
+_software.pdbx_ordinal 1
|
|
|
+##
|
|
|
+loop_
|
|
|
+_pdbx_validate_close_contact.id
|
|
|
+_pdbx_validate_close_contact.PDB_model_num
|
|
|
+_pdbx_validate_close_contact.auth_atom_id_1
|
|
|
+_pdbx_validate_close_contact.auth_asym_id_1
|
|
|
+_pdbx_validate_close_contact.auth_comp_id_1
|
|
|
+_pdbx_validate_close_contact.auth_seq_id_1
|
|
|
+_pdbx_validate_close_contact.PDB_ins_code_1
|
|
|
+_pdbx_validate_close_contact.label_alt_id_1
|
|
|
+_pdbx_validate_close_contact.auth_atom_id_2
|
|
|
+_pdbx_validate_close_contact.auth_asym_id_2
|
|
|
+_pdbx_validate_close_contact.auth_comp_id_2
|
|
|
+_pdbx_validate_close_contact.auth_seq_id_2
|
|
|
+_pdbx_validate_close_contact.PDB_ins_code_2
|
|
|
+_pdbx_validate_close_contact.label_alt_id_2
|
|
|
+_pdbx_validate_close_contact.dist
|
|
|
+1 1 O A HOH 62 ? ? O A HOH 77 ? ? 1.61
|
|
|
+2 1 OP2 A DA 6 ? ? O A HOH 65 ? ? 1.89
|
|
|
+3 1 OP2 A DG 10 ? ? O A HOH 70 ? ? 2.02
|
|
|
+4 1 O A HOH 54 ? ? O A HOH 86 ? ? 2.07
|
|
|
+5 1 O A HOH 77 ? ? O B HOH 63 ? ? 2.09
|
|
|
+6 1 O A HOH 31 ? ? O A HOH 99 ? ? 2.12
|
|
|
+##
|
|
|
+loop_
|
|
|
+_pdbx_validate_rmsd_bond.id
|
|
|
+_pdbx_validate_rmsd_bond.PDB_model_num
|
|
|
+_pdbx_validate_rmsd_bond.auth_atom_id_1
|
|
|
+_pdbx_validate_rmsd_bond.auth_asym_id_1
|
|
|
+_pdbx_validate_rmsd_bond.auth_comp_id_1
|
|
|
+_pdbx_validate_rmsd_bond.auth_seq_id_1
|
|
|
+_pdbx_validate_rmsd_bond.PDB_ins_code_1
|
|
|
+_pdbx_validate_rmsd_bond.label_alt_id_1
|
|
|
+_pdbx_validate_rmsd_bond.auth_atom_id_2
|
|
|
+_pdbx_validate_rmsd_bond.auth_asym_id_2
|
|
|
+_pdbx_validate_rmsd_bond.auth_comp_id_2
|
|
|
+_pdbx_validate_rmsd_bond.auth_seq_id_2
|
|
|
+_pdbx_validate_rmsd_bond.PDB_ins_code_2
|
|
|
+_pdbx_validate_rmsd_bond.label_alt_id_2
|
|
|
+_pdbx_validate_rmsd_bond.bond_value
|
|
|
+_pdbx_validate_rmsd_bond.bond_target_value
|
|
|
+_pdbx_validate_rmsd_bond.bond_deviation
|
|
|
+_pdbx_validate_rmsd_bond.bond_standard_deviation
|
|
|
+_pdbx_validate_rmsd_bond.linker_flag
|
|
|
+ 1 1 C5 A DC 1 ? ? C6 A DC 1 ? ? 1.390 1.339 0.051 0.008 N
|
|
|
+ 2 1 C5 A DG 2 ? ? N7 A DG 2 ? ? 1.348 1.388 -0.040 0.006 N
|
|
|
+ 3 1 N7 A DG 2 ? ? C8 A DG 2 ? ? 1.341 1.305 0.036 0.006 N
|
|
|
+ 4 1 C5 A DC 3 ? ? C6 A DC 3 ? ? 1.391 1.339 0.052 0.008 N
|
|
|
+ 5 1 C5 A DG 4 ? ? N7 A DG 4 ? ? 1.349 1.388 -0.039 0.006 N
|
|
|
+ 6 1 N7 A DG 4 ? ? C8 A DG 4 ? ? 1.341 1.305 0.036 0.006 N
|
|
|
+ 7 1 C5 A DA 5 ? ? N7 A DA 5 ? ? 1.349 1.388 -0.039 0.006 N
|
|
|
+ 8 1 C5 A DA 6 ? ? N7 A DA 6 ? ? 1.350 1.388 -0.038 0.006 N
|
|
|
+ 9 1 C5 A DT 7 ? ? C6 A DT 7 ? ? 1.395 1.339 0.056 0.007 N
|
|
|
+10 1 C5 A DT 8 ? ? C6 A DT 8 ? ? 1.395 1.339 0.056 0.007 N
|
|
|
+11 1 C5 A DC 9 ? ? C6 A DC 9 ? ? 1.392 1.339 0.053 0.008 N
|
|
|
+12 1 C5 A DG 10 ? ? N7 A DG 10 ? ? 1.349 1.388 -0.039 0.006 N
|
|
|
+13 1 N7 A DG 10 ? ? C8 A DG 10 ? ? 1.341 1.305 0.036 0.006 N
|
|
|
+14 1 C5 A DC 11 ? ? C6 A DC 11 ? ? 1.390 1.339 0.051 0.008 N
|
|
|
+15 1 C5 A DG 12 ? ? N7 A DG 12 ? ? 1.349 1.388 -0.039 0.006 N
|
|
|
+16 1 C5 B DC 13 ? ? C6 B DC 13 ? ? 1.391 1.339 0.052 0.008 N
|
|
|
+17 1 C5 B DG 14 ? ? N7 B DG 14 ? ? 1.346 1.388 -0.042 0.006 N
|
|
|
+18 1 C5 B DC 15 ? ? C6 B DC 15 ? ? 1.388 1.339 0.049 0.008 N
|
|
|
+19 1 C5 B DG 16 ? ? N7 B DG 16 ? ? 1.348 1.388 -0.040 0.006 N
|
|
|
+20 1 N7 B DG 16 ? ? C8 B DG 16 ? ? 1.344 1.305 0.039 0.006 N
|
|
|
+21 1 C5 B DA 17 ? ? N7 B DA 17 ? ? 1.349 1.388 -0.039 0.006 N
|
|
|
+22 1 C5 B DA 18 ? ? N7 B DA 18 ? ? 1.349 1.388 -0.039 0.006 N
|
|
|
+23 1 C5 B DT 19 ? ? C6 B DT 19 ? ? 1.395 1.339 0.056 0.007 N
|
|
|
+24 1 C5 B DT 20 ? ? C6 B DT 20 ? ? 1.390 1.339 0.051 0.007 N
|
|
|
+25 1 C5 B DC 21 ? ? C6 B DC 21 ? ? 1.391 1.339 0.052 0.008 N
|
|
|
+26 1 C5 B DG 22 ? ? N7 B DG 22 ? ? 1.352 1.388 -0.036 0.006 N
|
|
|
+27 1 N7 B DG 22 ? ? C8 B DG 22 ? ? 1.342 1.305 0.037 0.006 N
|
|
|
+28 1 C5 B DC 23 ? ? C6 B DC 23 ? ? 1.390 1.339 0.051 0.008 N
|
|
|
+29 1 C5 B DG 24 ? ? N7 B DG 24 ? ? 1.349 1.388 -0.039 0.006 N
|
|
|
+##
|
|
|
+loop_
|
|
|
+_pdbx_validate_rmsd_angle.id
|
|
|
+_pdbx_validate_rmsd_angle.PDB_model_num
|
|
|
+_pdbx_validate_rmsd_angle.auth_atom_id_1
|
|
|
+_pdbx_validate_rmsd_angle.auth_asym_id_1
|
|
|
+_pdbx_validate_rmsd_angle.auth_comp_id_1
|
|
|
+_pdbx_validate_rmsd_angle.auth_seq_id_1
|
|
|
+_pdbx_validate_rmsd_angle.PDB_ins_code_1
|
|
|
+_pdbx_validate_rmsd_angle.label_alt_id_1
|
|
|
+_pdbx_validate_rmsd_angle.auth_atom_id_2
|
|
|
+_pdbx_validate_rmsd_angle.auth_asym_id_2
|
|
|
+_pdbx_validate_rmsd_angle.auth_comp_id_2
|
|
|
+_pdbx_validate_rmsd_angle.auth_seq_id_2
|
|
|
+_pdbx_validate_rmsd_angle.PDB_ins_code_2
|
|
|
+_pdbx_validate_rmsd_angle.label_alt_id_2
|
|
|
+_pdbx_validate_rmsd_angle.auth_atom_id_3
|
|
|
+_pdbx_validate_rmsd_angle.auth_asym_id_3
|
|
|
+_pdbx_validate_rmsd_angle.auth_comp_id_3
|
|
|
+_pdbx_validate_rmsd_angle.auth_seq_id_3
|
|
|
+_pdbx_validate_rmsd_angle.PDB_ins_code_3
|
|
|
+_pdbx_validate_rmsd_angle.label_alt_id_3
|
|
|
+_pdbx_validate_rmsd_angle.angle_value
|
|
|
+_pdbx_validate_rmsd_angle.angle_target_value
|
|
|
+_pdbx_validate_rmsd_angle.angle_deviation
|
|
|
+_pdbx_validate_rmsd_angle.angle_standard_deviation
|
|
|
+_pdbx_validate_rmsd_angle.linker_flag
|
|
|
+ 1 1 "C4'" A DC 1 ? ? "C3'" A DC 1 ? ? "C2'" A DC 1 ? ? 97.42 102.20 -4.78 0.70 N
|
|
|
+ 2 1 "C3'" A DC 1 ? ? "C2'" A DC 1 ? ? "C1'" A DC 1 ? ? 96.43 102.40 -5.97 0.80 N
|
|
|
+ 3 1 "O4'" A DC 1 ? ? "C1'" A DC 1 ? ? "C2'" A DC 1 ? ? 100.54 105.90 -5.36 0.80 N
|
|
|
+ 4 1 "O5'" A DG 2 ? ? "C5'" A DG 2 ? ? "C4'" A DG 2 ? ? 102.57 109.40 -6.83 0.80 N
|
|
|
+ 5 1 "O4'" A DG 2 ? ? "C1'" A DG 2 ? ? N9 A DG 2 ? ? 103.05 108.00 -4.95 0.70 N
|
|
|
+ 6 1 "O4'" A DC 3 ? ? "C1'" A DC 3 ? ? N1 A DC 3 ? ? 102.64 108.00 -5.36 0.70 N
|
|
|
+ 7 1 "C3'" A DG 4 ? ? "C2'" A DG 4 ? ? "C1'" A DG 4 ? ? 97.18 102.40 -5.22 0.80 N
|
|
|
+ 8 1 "O4'" A DA 5 ? ? "C1'" A DA 5 ? ? "C2'" A DA 5 ? ? 101.02 105.90 -4.88 0.80 N
|
|
|
+ 9 1 "O4'" A DA 5 ? ? "C1'" A DA 5 ? ? N9 A DA 5 ? ? 103.63 108.00 -4.37 0.70 N
|
|
|
+10 1 "O4'" A DA 6 ? ? "C1'" A DA 6 ? ? "C2'" A DA 6 ? ? 99.84 105.90 -6.06 0.80 N
|
|
|
+11 1 "O5'" A DT 7 ? ? "C5'" A DT 7 ? ? "C4'" A DT 7 ? ? 103.29 109.40 -6.11 0.80 N
|
|
|
+12 1 N1 A DT 7 ? ? C2 A DT 7 ? ? N3 A DT 7 ? ? 118.31 114.60 3.71 0.60 N
|
|
|
+13 1 C2 A DT 7 ? ? N3 A DT 7 ? ? C4 A DT 7 ? ? 122.84 127.20 -4.36 0.60 N
|
|
|
+14 1 C5 A DT 7 ? ? C6 A DT 7 ? ? N1 A DT 7 ? ? 119.96 123.70 -3.74 0.60 N
|
|
|
+15 1 "O4'" A DT 8 ? ? "C1'" A DT 8 ? ? "C2'" A DT 8 ? ? 100.50 105.90 -5.40 0.80 N
|
|
|
+16 1 N1 A DT 8 ? ? C2 A DT 8 ? ? N3 A DT 8 ? ? 118.74 114.60 4.14 0.60 N
|
|
|
+17 1 C2 A DT 8 ? ? N3 A DT 8 ? ? C4 A DT 8 ? ? 122.27 127.20 -4.93 0.60 N
|
|
|
+18 1 C5 A DT 8 ? ? C6 A DT 8 ? ? N1 A DT 8 ? ? 119.58 123.70 -4.12 0.60 N
|
|
|
+19 1 "C3'" A DG 10 ? ? "C2'" A DG 10 ? ? "C1'" A DG 10 ? ? 95.28 102.40 -7.12 0.80 N
|
|
|
+20 1 "O4'" A DG 12 ? ? "C1'" A DG 12 ? ? "C2'" A DG 12 ? ? 100.00 105.90 -5.90 0.80 N
|
|
|
+21 1 "O4'" B DC 13 ? ? "C1'" B DC 13 ? ? N1 B DC 13 ? ? 103.43 108.00 -4.57 0.70 N
|
|
|
+22 1 "O5'" B DG 14 ? ? "C5'" B DG 14 ? ? "C4'" B DG 14 ? ? 103.60 109.40 -5.80 0.80 N
|
|
|
+23 1 "O4'" B DG 14 ? ? "C1'" B DG 14 ? ? "C2'" B DG 14 ? ? 100.71 105.90 -5.19 0.80 N
|
|
|
+24 1 "O4'" B DG 14 ? ? "C1'" B DG 14 ? ? N9 B DG 14 ? ? 102.65 108.00 -5.35 0.70 N
|
|
|
+25 1 "O5'" B DG 16 ? ? "C5'" B DG 16 ? ? "C4'" B DG 16 ? ? 104.35 109.40 -5.05 0.80 N
|
|
|
+26 1 "O4'" B DA 18 ? ? "C1'" B DA 18 ? ? N9 B DA 18 ? ? 103.63 108.00 -4.37 0.70 N
|
|
|
+27 1 N1 B DT 19 ? ? C2 B DT 19 ? ? N3 B DT 19 ? ? 118.52 114.60 3.92 0.60 N
|
|
|
+28 1 C2 B DT 19 ? ? N3 B DT 19 ? ? C4 B DT 19 ? ? 122.33 127.20 -4.87 0.60 N
|
|
|
+29 1 C5 B DT 19 ? ? C6 B DT 19 ? ? N1 B DT 19 ? ? 119.05 123.70 -4.65 0.60 N
|
|
|
+30 1 "O4'" B DT 20 ? ? "C1'" B DT 20 ? ? "C2'" B DT 20 ? ? 99.84 105.90 -6.06 0.80 N
|
|
|
+31 1 "O4'" B DT 20 ? ? "C1'" B DT 20 ? ? N1 B DT 20 ? ? 102.84 108.00 -5.16 0.70 N
|
|
|
+32 1 N1 B DT 20 ? ? C2 B DT 20 ? ? N3 B DT 20 ? ? 118.22 114.60 3.62 0.60 N
|
|
|
+33 1 C2 B DT 20 ? ? N3 B DT 20 ? ? C4 B DT 20 ? ? 122.77 127.20 -4.43 0.60 N
|
|
|
+34 1 C5 B DT 20 ? ? C6 B DT 20 ? ? N1 B DT 20 ? ? 119.69 123.70 -4.01 0.60 N
|
|
|
+35 1 C6 B DT 20 ? ? C5 B DT 20 ? ? C7 B DT 20 ? ? 119.28 122.90 -3.62 0.60 N
|
|
|
+36 1 "O4'" B DC 21 ? ? "C1'" B DC 21 ? ? N1 B DC 21 ? ? 100.91 108.00 -7.09 0.70 N
|
|
|
+37 1 "C3'" B DG 22 ? ? "C2'" B DG 22 ? ? "C1'" B DG 22 ? ? 95.55 102.40 -6.85 0.80 N
|
|
|
+38 1 "O4'" B DG 22 ? ? "C1'" B DG 22 ? ? N9 B DG 22 ? ? 110.17 108.30 1.87 0.30 N
|
|
|
+39 1 "O5'" B DG 24 ? ? "C5'" B DG 24 ? ? "C4'" B DG 24 ? ? 103.92 109.40 -5.48 0.80 N
|
|
|
+##
|
|
|
+_ndb_struct_conf_na.entry_id 1BNA
|
|
|
+_ndb_struct_conf_na.feature 'b-form double helix'
|
|
|
+##
|
|
|
+loop_
|
|
|
+_ndb_struct_na_base_pair.model_number
|
|
|
+_ndb_struct_na_base_pair.i_label_asym_id
|
|
|
+_ndb_struct_na_base_pair.i_label_comp_id
|
|
|
+_ndb_struct_na_base_pair.i_label_seq_id
|
|
|
+_ndb_struct_na_base_pair.i_symmetry
|
|
|
+_ndb_struct_na_base_pair.j_label_asym_id
|
|
|
+_ndb_struct_na_base_pair.j_label_comp_id
|
|
|
+_ndb_struct_na_base_pair.j_label_seq_id
|
|
|
+_ndb_struct_na_base_pair.j_symmetry
|
|
|
+_ndb_struct_na_base_pair.shear
|
|
|
+_ndb_struct_na_base_pair.stretch
|
|
|
+_ndb_struct_na_base_pair.stagger
|
|
|
+_ndb_struct_na_base_pair.buckle
|
|
|
+_ndb_struct_na_base_pair.propeller
|
|
|
+_ndb_struct_na_base_pair.opening
|
|
|
+_ndb_struct_na_base_pair.pair_number
|
|
|
+_ndb_struct_na_base_pair.pair_name
|
|
|
+_ndb_struct_na_base_pair.i_auth_asym_id
|
|
|
+_ndb_struct_na_base_pair.i_auth_seq_id
|
|
|
+_ndb_struct_na_base_pair.i_PDB_ins_code
|
|
|
+_ndb_struct_na_base_pair.j_auth_asym_id
|
|
|
+_ndb_struct_na_base_pair.j_auth_seq_id
|
|
|
+_ndb_struct_na_base_pair.j_PDB_ins_code
|
|
|
+_ndb_struct_na_base_pair.hbond_type_28
|
|
|
+_ndb_struct_na_base_pair.hbond_type_12
|
|
|
+1 A DC 1 1_555 B DG 12 1_555 -0.422 -0.268 0.060 2.762 -14.200 -3.666 1 A_DC1:DG24_B A 1 ? B 24 ? 19 1
|
|
|
+1 A DG 2 1_555 B DC 11 1_555 -0.024 -0.266 0.249 -4.455 -10.846 -4.022 2 A_DG2:DC23_B A 2 ? B 23 ? 19 1
|
|
|
+1 A DC 3 1_555 B DG 10 1_555 0.003 -0.248 0.213 -6.940 -3.928 -2.346 3 A_DC3:DG22_B A 3 ? B 22 ? 19 1
|
|
|
+1 A DG 4 1_555 B DC 9 1_555 -0.371 -0.442 -0.180 9.308 -10.394 -1.297 4 A_DG4:DC21_B A 4 ? B 21 ? 19 1
|
|
|
+1 A DA 5 1_555 B DT 8 1_555 0.272 -0.222 0.035 5.035 -16.362 1.835 5 A_DA5:DT20_B A 5 ? B 20 ? 20 1
|
|
|
+1 A DA 6 1_555 B DT 7 1_555 -0.092 -0.042 0.166 3.544 -18.130 5.558 6 A_DA6:DT19_B A 6 ? B 19 ? 20 1
|
|
|
+1 A DT 7 1_555 B DA 6 1_555 0.317 -0.117 0.133 0.829 -17.701 7.931 7 A_DT7:DA18_B A 7 ? B 18 ? 20 1
|
|
|
+1 A DT 8 1_555 B DA 5 1_555 0.249 -0.215 -0.099 -1.329 -17.674 0.828 8 A_DT8:DA17_B A 8 ? B 17 ? 20 1
|
|
|
+1 A DC 9 1_555 B DG 4 1_555 -0.019 -0.251 -0.060 -10.176 -17.254 -0.867 9 A_DC9:DG16_B A 9 ? B 16 ? 19 1
|
|
|
+1 A DG 10 1_555 B DC 3 1_555 0.087 -0.278 0.272 1.665 -5.307 -1.129 10 A_DG10:DC15_B A 10 ? B 15 ? 19 1
|
|
|
+1 A DC 11 1_555 B DG 2 1_555 0.069 -0.284 0.586 -3.958 -18.046 -5.616 11 A_DC11:DG14_B A 11 ? B 14 ? 19 1
|
|
|
+1 A DG 12 1_555 B DC 1 1_555 -0.529 -0.109 0.261 6.598 1.957 -3.864 12 A_DG12:DC13_B A 12 ? B 13 ? 19 1
|
|
|
+##
|
|
|
+loop_
|
|
|
+_ndb_struct_na_base_pair_step.model_number
|
|
|
+_ndb_struct_na_base_pair_step.i_label_asym_id_1
|
|
|
+_ndb_struct_na_base_pair_step.i_label_comp_id_1
|
|
|
+_ndb_struct_na_base_pair_step.i_label_seq_id_1
|
|
|
+_ndb_struct_na_base_pair_step.i_symmetry_1
|
|
|
+_ndb_struct_na_base_pair_step.j_label_asym_id_1
|
|
|
+_ndb_struct_na_base_pair_step.j_label_comp_id_1
|
|
|
+_ndb_struct_na_base_pair_step.j_label_seq_id_1
|
|
|
+_ndb_struct_na_base_pair_step.j_symmetry_1
|
|
|
+_ndb_struct_na_base_pair_step.i_label_asym_id_2
|
|
|
+_ndb_struct_na_base_pair_step.i_label_comp_id_2
|
|
|
+_ndb_struct_na_base_pair_step.i_label_seq_id_2
|
|
|
+_ndb_struct_na_base_pair_step.i_symmetry_2
|
|
|
+_ndb_struct_na_base_pair_step.j_label_asym_id_2
|
|
|
+_ndb_struct_na_base_pair_step.j_label_comp_id_2
|
|
|
+_ndb_struct_na_base_pair_step.j_label_seq_id_2
|
|
|
+_ndb_struct_na_base_pair_step.j_symmetry_2
|
|
|
+_ndb_struct_na_base_pair_step.shift
|
|
|
+_ndb_struct_na_base_pair_step.slide
|
|
|
+_ndb_struct_na_base_pair_step.rise
|
|
|
+_ndb_struct_na_base_pair_step.tilt
|
|
|
+_ndb_struct_na_base_pair_step.roll
|
|
|
+_ndb_struct_na_base_pair_step.twist
|
|
|
+_ndb_struct_na_base_pair_step.x_displacement
|
|
|
+_ndb_struct_na_base_pair_step.y_displacement
|
|
|
+_ndb_struct_na_base_pair_step.helical_rise
|
|
|
+_ndb_struct_na_base_pair_step.inclination
|
|
|
+_ndb_struct_na_base_pair_step.tip
|
|
|
+_ndb_struct_na_base_pair_step.helical_twist
|
|
|
+_ndb_struct_na_base_pair_step.step_number
|
|
|
+_ndb_struct_na_base_pair_step.step_name
|
|
|
+_ndb_struct_na_base_pair_step.i_auth_asym_id_1
|
|
|
+_ndb_struct_na_base_pair_step.i_auth_seq_id_1
|
|
|
+_ndb_struct_na_base_pair_step.i_PDB_ins_code_1
|
|
|
+_ndb_struct_na_base_pair_step.j_auth_asym_id_1
|
|
|
+_ndb_struct_na_base_pair_step.j_auth_seq_id_1
|
|
|
+_ndb_struct_na_base_pair_step.j_PDB_ins_code_1
|
|
|
+_ndb_struct_na_base_pair_step.i_auth_asym_id_2
|
|
|
+_ndb_struct_na_base_pair_step.i_auth_seq_id_2
|
|
|
+_ndb_struct_na_base_pair_step.i_PDB_ins_code_2
|
|
|
+_ndb_struct_na_base_pair_step.j_auth_asym_id_2
|
|
|
+_ndb_struct_na_base_pair_step.j_auth_seq_id_2
|
|
|
+_ndb_struct_na_base_pair_step.j_PDB_ins_code_2
|
|
|
+1 A DC 1 1_555 B DG 12 1_555 A DG 2 1_555 B DC 11 1_555 -0.362 0.149 3.524 -3.397 6.425 40.311 -0.551 0.114 3.524 9.231 4.881 40.934 1 AA_DC1DG2:DC23DG24_BB A 1 ? B 24 ? A 2 ? B 23 ?
|
|
|
+1 A DG 2 1_555 B DC 11 1_555 A DC 3 1_555 B DG 10 1_555 0.498 0.227 3.523 0.805 -4.734 38.147 0.977 -0.648 3.480 -7.209 -1.225 38.437 2 AA_DG2DC3:DG22DC23_BB A 2 ? B 23 ? A 3 ? B 22 ?
|
|
|
+1 A DC 3 1_555 B DG 10 1_555 A DG 4 1_555 B DC 9 1_555 -0.324 0.689 3.041 3.631 7.947 24.466 -0.563 1.680 3.033 18.033 -8.240 25.957 3 AA_DC3DG4:DC21DG22_BB A 3 ? B 22 ? A 4 ? B 21 ?
|
|
|
+1 A DG 4 1_555 B DC 9 1_555 A DA 5 1_555 B DT 8 1_555 0.008 0.071 3.360 -2.678 3.162 40.897 -0.252 -0.310 3.349 4.511 3.821 41.097 4 AA_DG4DA5:DT20DC21_BB A 4 ? B 21 ? A 5 ? B 20 ?
|
|
|
+1 A DA 5 1_555 B DT 8 1_555 A DA 6 1_555 B DT 7 1_555 0.101 -0.312 3.318 -0.705 0.950 35.351 -0.655 -0.272 3.306 1.564 1.160 35.370 5 AA_DA5DA6:DT19DT20_BB A 5 ? B 20 ? A 6 ? B 19 ?
|
|
|
+1 A DA 6 1_555 B DT 7 1_555 A DT 7 1_555 B DA 6 1_555 0.329 -0.603 3.341 1.827 -2.755 34.760 -0.576 -0.264 3.390 -4.598 -3.049 34.912 6 AA_DA6DT7:DA18DT19_BB A 6 ? B 19 ? A 7 ? B 18 ?
|
|
|
+1 A DT 7 1_555 B DA 6 1_555 A DT 8 1_555 B DA 5 1_555 -0.306 -0.175 3.318 2.964 0.725 35.393 -0.395 0.939 3.279 1.190 -4.864 35.520 7 AA_DT7DT8:DA17DA18_BB A 7 ? B 18 ? A 8 ? B 17 ?
|
|
|
+1 A DT 8 1_555 B DA 5 1_555 A DC 9 1_555 B DG 4 1_555 0.020 -0.033 3.394 0.331 -0.053 39.272 -0.042 0.011 3.394 -0.079 -0.493 39.273 8 AA_DT8DC9:DG16DA17_BB A 8 ? B 17 ? A 9 ? B 16 ?
|
|
|
+1 A DC 9 1_555 B DG 4 1_555 A DG 10 1_555 B DC 3 1_555 0.381 0.864 3.239 -3.294 3.860 29.397 0.874 -1.427 3.262 7.535 6.431 29.823 9 AA_DC9DG10:DC15DG16_BB A 9 ? B 16 ? A 10 ? B 15 ?
|
|
|
+1 A DG 10 1_555 B DC 3 1_555 A DC 11 1_555 B DG 2 1_555 -1.303 0.418 3.682 -4.681 -12.201 40.779 1.959 1.257 3.543 -16.990 6.519 42.737 10 AA_DG10DC11:DG14DC15_BB A 10 ? B 15 ? A 11 ? B 14 ?
|
|
|
+1 A DC 11 1_555 B DG 2 1_555 A DG 12 1_555 B DC 1 1_555 0.773 0.057 3.226 3.143 -3.090 32.624 0.626 -0.830 3.265 -5.469 -5.562 32.912 11 AA_DC11DG12:DC13DG14_BB A 11 ? B 14 ? A 12 ? B 13 ?
|
|
|
+##
|
|
|
+_pdbx_entity_nonpoly.entity_id 2
|
|
|
+_pdbx_entity_nonpoly.name water
|
|
|
+_pdbx_entity_nonpoly.comp_id HOH
|
|
|
+##
|
|
|
+_ndb_struct_ntc_overall.entry_id 1BNA
|
|
|
+_ndb_struct_ntc_overall.confal_score 0
|
|
|
+_ndb_struct_ntc_overall.confal_percentile 0
|
|
|
+_ndb_struct_ntc_overall.ntc_version 6.6.6
|
|
|
+_ndb_struct_ntc_overall.cana_version 6.6.6
|
|
|
+_ndb_struct_ntc_overall.num_steps 22
|
|
|
+_ndb_struct_ntc_overall.num_classified 22
|
|
|
+_ndb_struct_ntc_overall.num_unclassified 0
|
|
|
+_ndb_struct_ntc_overall.num_unclassified_rmsd_close 0
|
|
|
+##
|
|
|
+loop_
|
|
|
+_ndb_struct_ntc_step.id
|
|
|
+_ndb_struct_ntc_step.name
|
|
|
+_ndb_struct_ntc_step.PDB_model_number
|
|
|
+_ndb_struct_ntc_step.label_entity_id_1
|
|
|
+_ndb_struct_ntc_step.label_asym_id_1
|
|
|
+_ndb_struct_ntc_step.label_seq_id_1
|
|
|
+_ndb_struct_ntc_step.label_comp_id_1
|
|
|
+_ndb_struct_ntc_step.label_alt_id_1
|
|
|
+_ndb_struct_ntc_step.label_entity_id_2
|
|
|
+_ndb_struct_ntc_step.label_asym_id_2
|
|
|
+_ndb_struct_ntc_step.label_seq_id_2
|
|
|
+_ndb_struct_ntc_step.label_comp_id_2
|
|
|
+_ndb_struct_ntc_step.label_alt_id_2
|
|
|
+_ndb_struct_ntc_step.auth_asym_id_1
|
|
|
+_ndb_struct_ntc_step.auth_seq_id_1
|
|
|
+_ndb_struct_ntc_step.auth_asym_id_2
|
|
|
+_ndb_struct_ntc_step.auth_seq_id_2
|
|
|
+_ndb_struct_ntc_step.PDB_ins_code_1
|
|
|
+_ndb_struct_ntc_step.PDB_ins_code_2
|
|
|
+ 1 1bna_A_DC_1_DG_2 1 1 A 1 DC . 1 A 2 DG . A 1 A 2 . .
|
|
|
+ 2 1bna_A_DG_2_DC_3 1 1 A 2 DG . 1 A 3 DC . A 2 A 3 . .
|
|
|
+ 3 1bna_A_DC_3_DG_4 1 1 A 3 DC . 1 A 4 DG . A 3 A 4 . .
|
|
|
+ 4 1bna_A_DG_4_DA_5 1 1 A 4 DG . 1 A 5 DA . A 4 A 5 . .
|
|
|
+ 5 1bna_A_DA_5_DA_6 1 1 A 5 DA . 1 A 6 DA . A 5 A 6 . .
|
|
|
+ 6 1bna_A_DA_6_DT_7 1 1 A 6 DA . 1 A 7 DT . A 6 A 7 . .
|
|
|
+ 7 1bna_A_DT_7_DT_8 1 1 A 7 DT . 1 A 8 DT . A 7 A 8 . .
|
|
|
+ 8 1bna_A_DT_8_DC_9 1 1 A 8 DT . 1 A 9 DC . A 8 A 9 . .
|
|
|
+ 9 1bna_A_DC_9_DG_10 1 1 A 9 DC . 1 A 10 DG . A 9 A 10 . .
|
|
|
+10 1bna_A_DG_10_DC_11 1 1 A 10 DG . 1 A 11 DC . A 10 A 11 . .
|
|
|
+11 1bna_A_DC_11_DG_12 1 1 A 11 DC . 1 A 12 DG . A 11 A 12 . .
|
|
|
+12 1bna_B_DC_13_DG_14 1 1 B 1 DC . 1 B 2 DG . B 13 B 14 . .
|
|
|
+13 1bna_B_DG_14_DC_15 1 1 B 2 DG . 1 B 3 DC . B 14 B 15 . .
|
|
|
+14 1bna_B_DC_15_DG_16 1 1 B 3 DC . 1 B 4 DG . B 15 B 16 . .
|
|
|
+15 1bna_B_DG_16_DA_17 1 1 B 4 DG . 1 B 5 DA . B 16 B 17 . .
|
|
|
+16 1bna_B_DA_17_DA_18 1 1 B 5 DA . 1 B 6 DA . B 17 B 18 . .
|
|
|
+17 1bna_B_DA_18_DT_19 1 1 B 6 DA . 1 B 7 DT . B 18 B 19 . .
|
|
|
+18 1bna_B_DT_19_DT_20 1 1 B 7 DT . 1 B 8 DT . B 19 B 20 . .
|
|
|
+19 1bna_B_DT_20_DC_21 1 1 B 8 DT . 1 B 9 DC . B 20 B 21 . .
|
|
|
+20 1bna_B_DC_21_DG_22 1 1 B 9 DC . 1 B 10 DG . B 21 B 22 . .
|
|
|
+21 1bna_B_DG_22_DC_23 1 1 B 10 DG . 1 B 11 DC . B 22 B 23 . .
|
|
|
+22 1bna_B_DC_23_DG_24 1 1 B 11 DC . 1 B 12 DG . B 23 B 24 . .
|
|
|
+##
|
|
|
+loop_
|
|
|
+_ndb_struct_ntc_step_summary.step_id
|
|
|
+_ndb_struct_ntc_step_summary.assigned_CANA
|
|
|
+_ndb_struct_ntc_step_summary.assigned_NtC
|
|
|
+_ndb_struct_ntc_step_summary.confal_score
|
|
|
+_ndb_struct_ntc_step_summary.euclidean_distance_NtC_ideal
|
|
|
+_ndb_struct_ntc_step_summary.cartesian_rmsd_closest_NtC_representative
|
|
|
+_ndb_struct_ntc_step_summary.closest_CANA
|
|
|
+_ndb_struct_ntc_step_summary.closest_NtC
|
|
|
+_ndb_struct_ntc_step_summary.closest_step_golden
|
|
|
+ 1 B12 BB04 33 40.0 0.367 B12 BB04 1mjo_F_DG_10_DA_11
|
|
|
+ 2 B-A BA05 80 21.0 0.310 B-A BA05 4i2o_W_DA_11_DT_12
|
|
|
+ 3 A-B AB01 36 25.1 0.177 A-B AB01 1n1o_B_DC_115_DG_116
|
|
|
+ 4 B12 BB04 16 39.9 0.216 B12 BB04 1kx5_J_DG_-56_DA_-55
|
|
|
+ 5 BBB BB01 68 30.9 0.190 BBB BB01 3opi_B_DT_219_DT_220
|
|
|
+ 6 B-A BA05 69 25.9 0.274 B-A BA05 1g8n_A_DA_6_DT_7
|
|
|
+ 7 BBB BB01 41 43.1 0.284 BBB BB01 3opi_A_DT_107_DT_108
|
|
|
+ 8 BBB BB01 67 32.4 0.248 BBB BB01 4f3u_B_DT_19_DT_20
|
|
|
+ 9 BBB BB00 77 33.4 0.373 BBB BB00 1edr_A_DC_9_DG_10
|
|
|
+10 BB2 BB07 70 37.3 0.387 BB2 BB07 1s32_J_DC_193_DT_194
|
|
|
+11 BBB BB01 54 36.1 0.382 BBB BB01 1aay_B_DG_4_DT_5
|
|
|
+12 BBB BB00 48 49.0 0.277 BBB BB00 1eo4_C_DC_9_DT_10
|
|
|
+13 B-A BA05 59 29.7 0.288 B-A BA05 1g8n_B_DG_14_DC_15
|
|
|
+14 A-B AB01 63 32.0 0.260 A-B AB01 1dsz_D_DC_1543_DT_1544
|
|
|
+15 BBB BB00 84 23.0 0.229 BBB BB00 1p3l_J_DT_237_DT_238
|
|
|
+16 BBB BB00 88 18.5 0.133 BBB BB00 1mus_B_DA_15_DG_16
|
|
|
+17 BBB BB01 64 24.6 0.197 BBB BB01 463d_A_DA_6_DT_7
|
|
|
+18 BBB BB01 67 32.2 0.183 BBB BB01 4mkw_A_DT_7_DT_8
|
|
|
+19 BBB BB01 78 19.4 0.144 BBB BB01 1g75_A_DA_5_DA_6
|
|
|
+20 BBB BB00 16 39.3 0.271 BBB BB00 1dpn_B_DC_21_DG_22
|
|
|
+21 B-A BA17 91 21.2 0.185 B-A BA17 3utb_J_DC_-5_DT_-4
|
|
|
+22 B-A BA05 38 40.9 0.373 B-A BA05 1qna_F_DC_218_DC_219
|
|
|
+##
|
|
|
+loop_
|
|
|
+_ndb_struct_ntc_step_parameters.step_id
|
|
|
+_ndb_struct_ntc_step_parameters.tor_delta_1
|
|
|
+_ndb_struct_ntc_step_parameters.tor_epsilon_1
|
|
|
+_ndb_struct_ntc_step_parameters.tor_zeta_1
|
|
|
+_ndb_struct_ntc_step_parameters.tor_alpha_2
|
|
|
+_ndb_struct_ntc_step_parameters.tor_beta_2
|
|
|
+_ndb_struct_ntc_step_parameters.tor_gamma_2
|
|
|
+_ndb_struct_ntc_step_parameters.tor_delta_2
|
|
|
+_ndb_struct_ntc_step_parameters.tor_chi_1
|
|
|
+_ndb_struct_ntc_step_parameters.tor_chi_2
|
|
|
+_ndb_struct_ntc_step_parameters.dist_NN
|
|
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+_ndb_struct_ntc_step_parameters.dist_CC
|
|
|
+_ndb_struct_ntc_step_parameters.tor_NCCN
|
|
|
+_ndb_struct_ntc_step_parameters.diff_tor_delta_1
|
|
|
+_ndb_struct_ntc_step_parameters.diff_tor_epsilon_1
|
|
|
+_ndb_struct_ntc_step_parameters.diff_tor_zeta_1
|
|
|
+_ndb_struct_ntc_step_parameters.diff_tor_alpha_2
|
|
|
+_ndb_struct_ntc_step_parameters.diff_tor_beta_2
|
|
|
+_ndb_struct_ntc_step_parameters.diff_tor_gamma_2
|
|
|
+_ndb_struct_ntc_step_parameters.diff_tor_delta_2
|
|
|
+_ndb_struct_ntc_step_parameters.diff_tor_chi_1
|
|
|
+_ndb_struct_ntc_step_parameters.diff_tor_chi_2
|
|
|
+_ndb_struct_ntc_step_parameters.diff_dist_NN
|
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|
+_ndb_struct_ntc_step_parameters.diff_dist_CC
|
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|
+_ndb_struct_ntc_step_parameters.diff_tor_NCCN
|
|
|
+_ndb_struct_ntc_step_parameters.confal_tor_delta_1
|
|
|
+_ndb_struct_ntc_step_parameters.confal_tor_epsilon_1
|
|
|
+_ndb_struct_ntc_step_parameters.confal_tor_zeta_1
|
|
|
+_ndb_struct_ntc_step_parameters.confal_tor_alpha_2
|
|
|
+_ndb_struct_ntc_step_parameters.confal_tor_beta_2
|
|
|
+_ndb_struct_ntc_step_parameters.confal_tor_gamma_2
|
|
|
+_ndb_struct_ntc_step_parameters.confal_tor_delta_2
|
|
|
+_ndb_struct_ntc_step_parameters.confal_tor_chi_1
|
|
|
+_ndb_struct_ntc_step_parameters.confal_tor_chi_2
|
|
|
+_ndb_struct_ntc_step_parameters.confal_dist_NN
|
|
|
+_ndb_struct_ntc_step_parameters.confal_dist_CC
|
|
|
+_ndb_struct_ntc_step_parameters.confal_tor_NCCN
|
|
|
+_ndb_struct_ntc_step_parameters.details
|
|
|
+ 1 156.8 218.7 216.1 294.4 169.8 40.1 128.1 255.0 249.5 4.65 5.35 32.3 16.7 17.4 1.9 -20.4 17.2 -6.0 -11.9 -7.5 -3.1 0.00 0.23 3.7 5.5 54.2 99.2 31.0 47.8 85.4 26.1 87.5 97.7 100.0 80.6 94.5 .
|
|
|
+ 2 128.1 174.2 262.2 297.4 171.8 58.8 98.3 249.5 224.9 4.23 4.72 31.8 -3.3 -10.2 -6.5 1.5 3.0 6.5 -5.9 -1.4 -10.5 0.13 0.08 7.6 97.9 55.2 75.3 99.4 92.9 84.2 87.5 99.4 74.3 74.0 88.4 58.9 .
|
|
|
+ 3 98.3 183.3 272.4 297.1 180.1 57.2 155.7 224.9 266.6 4.57 5.12 22.2 12.1 -2.9 -8.8 -3.9 1.6 2.8 13.8 2.1 10.6 -0.12 -0.16 4.5 8.9 96.9 77.0 94.8 99.1 96.7 8.7 98.8 70.1 93.1 90.4 89.4 .
|
|
|
+ 4 155.7 204.7 207.5 317.0 142.8 52.4 119.6 266.6 233.7 4.25 4.73 35.8 15.6 3.4 -6.7 2.2 -9.9 6.3 -20.4 4.1 -18.8 -0.39 -0.39 7.2 8.0 97.7 90.4 98.6 78.3 83.7 1.9 96.2 42.1 58.4 53.1 80.6 .
|
|
|
+ 5 119.6 179.9 267.8 286.7 179.7 66.0 121.1 233.7 237.8 4.47 5.04 27.7 -11.1 -1.0 2.2 -14.7 3.5 17.4 1.0 -13.8 -6.0 0.17 0.19 2.2 74.5 99.6 97.0 50.5 92.8 27.4 99.0 51.5 81.9 83.0 74.6 94.1 .
|
|
|
+ 6 121.1 173.7 271.5 303.4 180.8 52.2 98.9 237.8 232.7 4.22 4.79 25.8 -10.3 -10.7 2.8 7.5 12.0 -0.1 -5.3 -13.0 -2.7 0.12 0.14 1.7 81.1 51.8 95.1 85.3 30.2 100.0 89.7 57.2 98.0 77.7 65.4 97.5 .
|
|
|
+ 7 98.9 173.6 274.1 300.8 173.4 64.1 108.9 232.7 234.3 4.45 4.87 23.8 -31.8 -7.4 8.6 -0.6 -2.9 15.5 -11.3 -14.9 -9.6 0.15 0.02 -1.8 9.0 82.7 64.4 99.9 95.1 36.0 23.4 46.2 60.3 86.5 99.8 96.0 .
|
|
|
+ 8 108.9 170.6 270.7 301.5 180.5 60.5 128.7 234.3 240.5 4.37 4.92 29.0 -21.9 -10.3 5.1 0.1 4.3 11.9 8.5 -13.2 -3.4 0.07 0.07 3.4 32.2 68.8 85.6 100.0 89.4 54.7 43.4 54.2 93.9 96.9 96.4 85.6 .
|
|
|
+ 9 128.7 203.1 266.0 292.7 169.1 47.2 142.9 240.5 270.4 4.29 4.92 28.2 -9.1 20.0 7.8 -11.0 -10.5 3.0 4.7 -12.1 12.2 -0.09 -0.03 2.6 63.3 40.2 89.6 76.0 80.5 95.6 84.8 71.2 75.4 97.6 99.8 96.3 .
|
|
|
+10 142.9 256.7 150.2 286.1 139.3 56.3 135.7 270.4 234.9 5.12 5.26 44.3 -0.8 9.4 -19.3 -10.4 -1.7 10.2 -5.5 -0.3 -25.5 0.16 0.05 -1.7 99.4 83.3 39.6 74.7 99.0 58.0 83.5 100.0 31.7 90.7 98.5 99.5 .
|
|
|
+11 135.7 198.2 270.4 278.5 175.7 57.2 110.7 234.9 248.0 4.42 5.12 24.0 4.9 17.2 4.9 -22.9 -0.6 8.5 -9.5 -12.6 4.1 0.12 0.27 -1.6 94.4 35.4 86.8 18.9 99.8 73.3 35.6 57.3 91.2 91.0 54.7 96.7 .
|
|
|
+12 136.7 201.4 235.1 308.7 163.9 49.0 121.9 232.4 243.6 4.87 5.23 30.1 -1.1 18.2 -23.1 5.0 -15.7 4.8 -16.3 -20.2 -14.7 0.50 0.28 4.6 99.3 46.8 38.2 94.6 61.4 88.8 14.3 38.7 66.3 45.3 77.2 89.4 .
|
|
|
+13 121.9 177.7 267.0 297.0 168.8 60.4 85.7 243.6 226.2 4.07 4.51 37.5 -9.5 -6.7 -1.8 1.1 0.0 8.1 -18.6 -7.3 -9.2 -0.04 -0.13 13.3 83.6 77.5 97.9 99.6 100.0 76.6 26.6 84.0 79.9 97.0 69.8 19.9 .
|
|
|
+14 85.7 174.8 274.5 290.8 171.1 73.2 135.9 226.2 245.2 4.56 4.99 26.2 -0.6 -11.4 -6.7 -10.2 -7.5 18.8 -5.9 3.5 -10.7 -0.13 -0.29 8.4 99.4 61.8 85.9 68.6 81.8 21.3 64.1 96.7 69.8 92.2 72.2 67.5 .
|
|
|
+15 135.9 174.1 261.6 303.4 190.5 53.8 146.6 245.2 253.6 4.45 5.04 33.3 -1.9 -9.0 3.4 -0.3 10.9 9.6 8.5 -7.3 -4.7 0.08 0.10 7.7 98.0 83.2 97.9 100.0 79.2 61.9 59.1 88.2 95.9 97.9 97.0 72.5 .
|
|
|
+16 146.6 176.9 262.9 302.9 186.4 47.7 130.2 253.6 251.7 4.25 4.83 28.9 8.8 -6.2 4.7 -0.8 6.8 3.5 -7.9 1.0 -6.5 -0.12 -0.12 3.3 65.6 91.7 96.1 99.9 91.3 93.9 63.0 99.8 92.1 95.3 95.7 94.2 .
|
|
|
+17 130.2 174.4 258.7 301.7 173.6 60.0 109.2 251.7 228.7 4.28 4.74 25.3 -0.5 -6.5 -6.8 0.3 -2.6 11.4 -10.9 4.2 -15.2 -0.02 -0.11 -0.3 99.9 86.1 75.6 100.0 95.9 57.3 25.3 94.1 28.3 99.8 90.2 99.9 .
|
|
|
+18 109.2 178.8 271.7 301.4 179.5 55.3 122.4 228.7 239.5 4.52 5.06 23.1 -21.5 -2.2 6.2 -0.0 3.3 6.7 2.2 -18.8 -4.3 0.21 0.21 -2.4 33.2 98.4 79.7 100.0 93.7 82.5 94.4 29.1 90.2 73.9 69.4 92.6 .
|
|
|
+19 122.4 178.5 265.5 300.9 184.6 45.0 110.3 239.5 245.7 4.41 5.04 27.7 -8.4 -2.4 -0.1 -0.5 8.4 -3.7 -9.8 -8.0 1.8 0.10 0.19 2.2 84.7 98.0 100.0 99.9 65.3 94.4 33.2 80.1 98.2 93.1 73.9 94.1 .
|
|
|
+20 110.3 183.3 273.5 293.2 179.1 50.2 149.7 245.7 271.6 4.23 4.84 22.1 -27.5 0.2 15.4 -10.5 -0.4 6.0 11.6 -6.8 13.4 -0.15 -0.11 -3.4 1.6 100.0 65.3 78.1 100.0 83.1 37.3 89.7 71.1 93.2 96.5 93.9 .
|
|
|
+21 149.7 259.9 171.6 287.8 138.5 44.6 112.8 271.6 234.7 4.65 5.00 34.3 0.4 6.6 -5.0 -7.1 7.8 0.4 15.0 0.4 2.1 0.11 0.10 -3.9 100.0 91.2 94.0 89.3 86.2 99.9 57.4 100.0 98.9 96.4 96.2 96.2 .
|
|
|
+22 112.8 185.6 263.2 295.0 170.6 46.6 78.7 234.7 224.8 4.30 4.90 35.4 -18.6 1.3 -5.5 -0.9 1.8 -5.7 -25.5 -16.2 -10.6 0.19 0.25 11.2 50.3 99.1 81.7 99.8 97.5 87.7 8.2 42.1 74.2 51.2 26.3 31.8 .
|
|
|
+##
|
|
|
+loop_
|
|
|
+_ndb_struct_sugar_step_parameters.step_id
|
|
|
+_ndb_struct_sugar_step_parameters.P_1
|
|
|
+_ndb_struct_sugar_step_parameters.tau_1
|
|
|
+_ndb_struct_sugar_step_parameters.Pn_1
|
|
|
+_ndb_struct_sugar_step_parameters.P_2
|
|
|
+_ndb_struct_sugar_step_parameters.tau_2
|
|
|
+_ndb_struct_sugar_step_parameters.Pn_2
|
|
|
+_ndb_struct_sugar_step_parameters.nu_1_1
|
|
|
+_ndb_struct_sugar_step_parameters.nu_1_2
|
|
|
+_ndb_struct_sugar_step_parameters.nu_1_3
|
|
|
+_ndb_struct_sugar_step_parameters.nu_1_4
|
|
|
+_ndb_struct_sugar_step_parameters.nu_1_5
|
|
|
+_ndb_struct_sugar_step_parameters.nu_2_1
|
|
|
+_ndb_struct_sugar_step_parameters.nu_2_2
|
|
|
+_ndb_struct_sugar_step_parameters.nu_2_3
|
|
|
+_ndb_struct_sugar_step_parameters.nu_2_4
|
|
|
+_ndb_struct_sugar_step_parameters.nu_2_5
|
|
|
+_ndb_struct_sugar_step_parameters.diff_nu_1_1
|
|
|
+_ndb_struct_sugar_step_parameters.diff_nu_1_2
|
|
|
+_ndb_struct_sugar_step_parameters.diff_nu_1_3
|
|
|
+_ndb_struct_sugar_step_parameters.diff_nu_1_4
|
|
|
+_ndb_struct_sugar_step_parameters.diff_nu_1_5
|
|
|
+_ndb_struct_sugar_step_parameters.diff_nu_2_1
|
|
|
+_ndb_struct_sugar_step_parameters.diff_nu_2_2
|
|
|
+_ndb_struct_sugar_step_parameters.diff_nu_2_3
|
|
|
+_ndb_struct_sugar_step_parameters.diff_nu_2_4
|
|
|
+_ndb_struct_sugar_step_parameters.diff_nu_2_5
|
|
|
+ 1 161.2 55.3 C2end 139.5 41.7 C1exo 326.0 54.5 307.6 33.7 0.0 323.9 41.9 328.3 10.8 16.1 -6.6 16.4 -18.5 14.8 -5.1 -12.8 6.9 1.1 -9.2 14.2
|
|
|
+ 2 139.5 41.7 C1exo 92.8 38.3 O4end 323.9 41.9 328.3 10.8 16.1 322.4 23.3 358.1 339.7 36.6 -10.4 9.2 -4.3 -2.2 8.3 2.1 -5.3 5.9 -5.1 2.4
|
|
|
+ 3 92.8 38.3 O4end 166.3 48.5 C2end 322.4 23.3 358.1 339.7 36.6 333.3 46.3 312.9 33.4 355.6 -17.8 25.5 -23.5 13.6 3.0 -5.9 12.9 -14.3 12.0 -3.9
|
|
|
+ 4 166.3 48.5 C2end 128.6 46.3 C1exo 333.3 46.3 312.9 33.4 355.6 315.3 44.3 331.1 3.4 25.8 0.6 8.2 -13.3 14.5 -9.5 -21.4 9.3 3.9 -16.6 23.9
|
|
|
+ 5 128.6 46.3 C1exo 126.9 49.8 C1exo 315.3 44.3 331.1 3.4 25.8 311.9 47.5 330.1 2.2 29.0 -19.6 12.1 -1.8 -9.6 18.4 -14.7 14.1 -8.5 -0.1 9.5
|
|
|
+ 6 126.9 49.8 C1exo 101.3 47.3 O4end 311.9 47.5 330.1 2.2 29.0 311.9 34.1 350.7 341.5 42.1 -22.4 14.9 -2.5 -10.8 21.1 -8.4 5.5 -1.5 -3.4 7.8
|
|
|
+ 7 101.3 47.3 O4end 115.6 49.2 C1exo 311.9 34.1 350.7 341.5 42.1 309.9 42.8 338.7 352.6 36.2 -23.0 2.0 17.8 -31.5 34.6 -16.7 9.4 0.1 -9.7 16.8
|
|
|
+ 8 115.6 49.2 C1exo 140.4 46.4 C1exo 309.9 42.8 338.7 352.6 36.2 319.6 46.3 324.3 12.9 17.1 -25.0 10.7 5.8 -20.4 28.8 -6.9 12.8 -14.4 10.6 -2.4
|
|
|
+ 9 140.4 46.4 C1exo 145.8 53.4 C2end 319.6 46.3 324.3 12.9 17.1 315.9 54.5 315.9 20.4 14.1 -17.9 13.0 -4.7 -5.7 14.8 -17.3 17.5 -11.5 2.5 8.7
|
|
|
+10 145.8 53.4 C2end 147.5 47.0 C2end 315.9 54.5 315.9 20.4 14.1 322.3 47.0 320.3 18.6 11.7 -13.3 12.3 -7.0 0.0 7.8 -18.6 14.7 -6.8 -3.8 14.0
|
|
|
+11 147.5 47.0 C2end 113.8 51.7 C1exo 322.3 47.0 320.3 18.6 11.7 307.1 44.2 339.1 350.6 39.1 -12.6 14.9 -12.6 5.6 4.3 -19.5 10.7 0.5 -11.7 19.6
|
|
|
+12 153.2 43.1 C2end 128.5 45.0 C1exo 328.7 42.9 321.5 20.8 6.4 316.6 42.7 332.0 3.1 25.4 -8.8 9.7 -7.5 2.3 4.1 -16.6 5.7 4.6 -14.8 19.9
|
|
|
+13 128.5 45.0 C1exo 67.7 43.8 C4exo 316.6 42.7 332.0 3.1 25.4 326.1 9.4 16.6 323.0 44.6 -17.8 10.0 -0.7 -9.9 17.6 5.7 -19.2 24.4 -21.8 10.4
|
|
|
+14 67.7 43.8 C4exo 149.3 41.0 C2end 326.1 9.4 16.6 323.0 44.6 328.2 40.8 324.7 17.3 9.0 -14.2 11.6 -5.1 -3.1 11.0 -11.0 7.5 -2.5 -4.2 9.5
|
|
|
+15 149.3 41.0 C2end 169.3 42.3 C2end 328.2 40.8 324.7 17.3 9.0 338.9 39.2 318.4 30.1 354.0 -9.3 7.6 -4.3 -1.3 6.6 5.8 2.2 -8.9 12.2 -11.5
|
|
|
+16 169.3 42.3 C2end 147.0 42.3 C2end 338.9 39.2 318.4 30.1 354.0 326.3 43.1 324.5 16.5 10.6 1.4 6.0 -10.6 11.5 -8.3 -6.8 6.1 -2.8 -1.4 5.1
|
|
|
+17 147.0 42.3 C2end 116.3 47.5 C1exo 326.3 43.1 324.5 16.5 10.6 312.0 42.0 339.0 353.4 34.5 -8.6 11.0 -8.4 3.5 3.1 -14.6 8.5 0.3 -8.9 15.0
|
|
|
+18 116.3 47.5 C1exo 129.6 49.9 C1exo 312.0 42.0 339.0 353.4 34.5 312.2 48.2 328.2 4.7 27.1 -22.9 9.9 6.0 -19.6 27.0 -14.4 14.7 -10.5 2.5 7.6
|
|
|
+19 129.6 49.9 C1exo 113.6 42.9 C1exo 312.2 48.2 328.2 4.7 27.1 316.4 36.8 342.8 352.0 32.7 -22.7 16.0 -4.7 -8.3 19.6 -10.1 3.3 4.2 -10.3 13.2
|
|
|
+20 113.6 42.9 C1exo 156.3 51.0 C2end 316.4 36.8 342.8 352.0 32.7 324.4 50.9 313.3 27.9 4.3 -21.0 3.6 13.8 -26.6 30.3 -8.8 14.0 -14.0 10.0 -1.2
|
|
|
+21 156.3 51.0 C2end 116.9 44.2 C1exo 324.4 50.9 313.3 27.9 4.3 315.3 39.3 340.0 354.3 31.7 -5.1 6.9 -6.2 3.4 0.8 -16.4 25.5 -24.9 15.8 0.5
|
|
|
+22 116.9 44.2 C1exo 34.7 45.5 C3end 315.3 39.3 340.0 354.3 31.7 347.2 343.3 37.4 313.7 37.4 -19.0 6.6 7.3 -18.7 23.9 26.9 -45.3 45.2 -31.2 3.2
|
|
|
+##
|
|
|
+#
|
|
|
+
|
Michal Malý