Skip to content
Snippets Groups Projects
Commit 1b7f0e0f authored by Michal Malý's avatar Michal Malý
Browse files

Add example mmCIF to allow testing of Confal pyramids

parent 18cb3360
No related branches found
No related tags found
No related merge requests found
Show whitespace changes
Inline Side-by-side
CHANGELOG.md
+ 1
− 0
View file @ 1b7f0e0f
......@@ -7,6 +7,7 @@ Note that since we don't clearly distinguish between a public and private interf
## [Unreleased]
- Add custom labels to Confal pyramids
- Improve naming of some internal types in Confal pyramids extension coordinate
- Add example mmCIF file with categories necessary to display Confal pyramids
## [v3.13.0] - 2022-07-24
......
examples/1bna_confal_pyramids.cif 0 → 100644
+ 1694
− 0
View file @ 1b7f0e0f
data_1BNA
#
_entry.id 1BNA
##
_audit_conform.dict_name mmcif_pdbx.dic
_audit_conform.dict_version 5.279
_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic
##
loop_
_database_2.database_id
_database_2.database_code
PDB 1BNA
RCSB BDL001
WWPDB D_1000171933
##
_pdbx_database_status.status_code REL
_pdbx_database_status.entry_id 1BNA
_pdbx_database_status.recvd_initial_deposition_date 1981-01-26
_pdbx_database_status.deposit_site BNL
_pdbx_database_status.process_site BNL
_pdbx_database_status.status_code_sf REL
_pdbx_database_status.status_code_mr ?
_pdbx_database_status.SG_entry ?
_pdbx_database_status.pdb_format_compatible Y
_pdbx_database_status.status_code_cs ?
##
loop_
_audit_author.name
_audit_author.pdbx_ordinal
'Drew, H.R.' 1
'Wing, R.M.' 2
'Takano, T.' 3
'Broka, C.' 4
'Tanaka, S.' 5
'Itakura, K.' 6
'Dickerson, R.E.' 7
##
loop_
_citation.id
_citation.title
_citation.journal_abbrev
_citation.journal_volume
_citation.page_first
_citation.page_last
_citation.year
_citation.journal_id_ASTM
_citation.country
_citation.journal_id_ISSN
_citation.journal_id_CSD
_citation.book_publisher
_citation.pdbx_database_id_PubMed
_citation.pdbx_database_id_DOI
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
1 'Kinematic Model for B-DNA' Proc.Natl.Acad.Sci.USA 78 7318 7322 1981 PNASA6 US 0027-8424 0040 ? ? ?
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 ? ? ?
3 'Structure of a B-DNA Dodecamer. III. Geometry of Hydration' J.Mol.Biol. 151 535 556 1981 JMOBAK UK 0022-2836 0070 ? ? ?
4 'Crystal Structure Analysis of a Complete Turn of B-DNA' Nature 287 755 758 1980 NATUAS UK 0028-0836 0006 ? ? ?
##
loop_
_citation_author.citation_id
_citation_author.name
_citation_author.ordinal
primary 'Drew, H.R.' 1
primary 'Wing, R.M.' 2
primary 'Takano, T.' 3
primary 'Broka, C.' 4
primary 'Tanaka, S.' 5
primary 'Itakura, K.' 6
primary 'Dickerson, R.E.' 7
1 'Dickerson, R.E.' 8
1 'Drew, H.R.' 9
2 'Dickerson, R.E.' 10
2 'Drew, H.R.' 11
3 'Drew, H.R.' 12
3 'Dickerson, R.E.' 13
4 'Wing, R.' 14
4 'Drew, H.R.' 15
4 'Takano, T.' 16
4 'Broka, C.' 17
4 'Tanaka, S.' 18
4 'Itakura, K.' 19
4 'Dickerson, R.E.' 20
##
_cell.entry_id 1BNA
_cell.length_a 24.870
_cell.length_b 40.390
_cell.length_c 66.200
_cell.angle_alpha 90.00
_cell.angle_beta 90.00
_cell.angle_gamma 90.00
_cell.Z_PDB 8
_cell.pdbx_unique_axis ?
##
_symmetry.entry_id 1BNA
_symmetry.space_group_name_H-M 'P 21 21 21'
_symmetry.pdbx_full_space_group_name_H-M ?
_symmetry.cell_setting ?
_symmetry.Int_Tables_number 19
##
loop_
_entity.id
_entity.type
_entity.src_method
_entity.pdbx_description
_entity.formula_weight
_entity.pdbx_number_of_molecules
_entity.pdbx_ec
_entity.pdbx_mutation
_entity.pdbx_fragment
_entity.details
1 polymer syn "DNA(5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')" 3663.392 2 ? ? ? ?
2 water nat water 18.015 80 ? ? ? ?
##
_entity_poly.entity_id 1
_entity_poly.type polydeoxyribonucleotide
_entity_poly.nstd_linkage no
_entity_poly.nstd_monomer no
_entity_poly.pdbx_seq_one_letter_code '(DC)(DG)(DC)(DG)(DA)(DA)(DT)(DT)(DC)(DG)(DC)(DG)'
_entity_poly.pdbx_seq_one_letter_code_can CGCGAATTCGCG
_entity_poly.pdbx_strand_id A,B
_entity_poly.pdbx_target_identifier ?
##
loop_
_entity_poly_seq.entity_id
_entity_poly_seq.num
_entity_poly_seq.mon_id
_entity_poly_seq.hetero
1 1 DC n
1 2 DG n
1 3 DC n
1 4 DG n
1 5 DA n
1 6 DA n
1 7 DT n
1 8 DT n
1 9 DC n
1 10 DG n
1 11 DC n
1 12 DG n
##
_struct_ref.id 1
_struct_ref.entity_id 1
_struct_ref.db_name PDB
_struct_ref.db_code 1BNA
_struct_ref.pdbx_db_accession 1BNA
_struct_ref.pdbx_db_isoform ?
_struct_ref.pdbx_seq_one_letter_code ?
_struct_ref.pdbx_align_begin ?
##
loop_
_struct_ref_seq.align_id
_struct_ref_seq.ref_id
_struct_ref_seq.pdbx_PDB_id_code
_struct_ref_seq.pdbx_strand_id
_struct_ref_seq.seq_align_beg
_struct_ref_seq.pdbx_seq_align_beg_ins_code
_struct_ref_seq.seq_align_end
_struct_ref_seq.pdbx_seq_align_end_ins_code
_struct_ref_seq.pdbx_db_accession
_struct_ref_seq.db_align_beg
_struct_ref_seq.pdbx_db_align_beg_ins_code
_struct_ref_seq.db_align_end
_struct_ref_seq.pdbx_db_align_end_ins_code
_struct_ref_seq.pdbx_auth_seq_align_beg
_struct_ref_seq.pdbx_auth_seq_align_end
1 1 1BNA A 1 ? 12 ? 1BNA 1 ? 12 ? 1 12
2 1 1BNA B 1 ? 12 ? 1BNA 13 ? 24 ? 13 24
##
loop_
_chem_comp.id
_chem_comp.type
_chem_comp.mon_nstd_flag
_chem_comp.name
_chem_comp.pdbx_synonyms
_chem_comp.formula
_chem_comp.formula_weight
DA 'DNA linking' y "2'-DEOXYADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O6 P' 331.222
DC 'DNA linking' y "2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O7 P' 307.197
DG 'DNA linking' y "2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
DT 'DNA linking' y "THYMIDINE-5'-MONOPHOSPHATE" ? 'C10 H15 N2 O8 P' 322.208
HOH non-polymer . WATER ? 'H2 O' 18.015
##
_exptl.entry_id 1BNA
_exptl.method 'X-RAY DIFFRACTION'
_exptl.crystals_number ?
##
_exptl_crystal.id 1
_exptl_crystal.density_meas ?
_exptl_crystal.density_Matthews 2.27
_exptl_crystal.density_percent_sol 45.79
_exptl_crystal.description ?
##
_exptl_crystal_grow.crystal_id 1
_exptl_crystal_grow.method 'VAPOR DIFFUSION'
_exptl_crystal_grow.temp 290.00
_exptl_crystal_grow.temp_details ?
_exptl_crystal_grow.pH ?
_exptl_crystal_grow.pdbx_details 'VAPOR DIFFUSION, temperature 290.00K'
_exptl_crystal_grow.pdbx_pH_range ?
##
loop_
_exptl_crystal_grow_comp.crystal_id
_exptl_crystal_grow_comp.id
_exptl_crystal_grow_comp.sol_id
_exptl_crystal_grow_comp.name
_exptl_crystal_grow_comp.volume
_exptl_crystal_grow_comp.conc
_exptl_crystal_grow_comp.details
1 1 1 WATER ? ? ?
1 2 1 'MG ACETATE' ? ? ?
1 3 1 SPERMINE_HCL ? ? ?
1 4 2 WATER ? ? ?
1 5 2 MPD ? ? ?
##
_diffrn.id 1
_diffrn.crystal_id 1
_diffrn.ambient_temp ?
_diffrn.ambient_temp_details ?
##
_diffrn_detector.diffrn_id 1
_diffrn_detector.detector DIFFRACTOMETER
_diffrn_detector.type ?
_diffrn_detector.pdbx_collection_date ?
_diffrn_detector.details ?
##
_diffrn_radiation.diffrn_id 1
_diffrn_radiation.wavelength_id 1
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l ?
_diffrn_radiation.monochromator ?
_diffrn_radiation.pdbx_diffrn_protocol ?
_diffrn_radiation.pdbx_scattering_type x-ray
##
_diffrn_radiation_wavelength.id 1
_diffrn_radiation_wavelength.wavelength .
_diffrn_radiation_wavelength.wt 1.0
##
_diffrn_source.diffrn_id 1
_diffrn_source.source ?
_diffrn_source.type ?
_diffrn_source.pdbx_synchrotron_site ?
_diffrn_source.pdbx_synchrotron_beamline ?
_diffrn_source.pdbx_wavelength ?
_diffrn_source.pdbx_wavelength_list ?
##
_reflns.entry_id 1BNA
_reflns.observed_criterion_sigma_I ?
_reflns.observed_criterion_sigma_F ?
_reflns.d_resolution_low 8.0
_reflns.d_resolution_high 1.900
_reflns.number_obs 5534
_reflns.number_all ?
_reflns.percent_possible_obs ?
_reflns.pdbx_Rmerge_I_obs ?
_reflns.pdbx_Rsym_value ?
_reflns.pdbx_netI_over_sigmaI ?
_reflns.B_iso_Wilson_estimate ?
_reflns.pdbx_redundancy ?
_reflns.pdbx_diffrn_id 1
_reflns.pdbx_ordinal 1
##
_refine.entry_id 1BNA
_refine.ls_number_reflns_obs 2725
_refine.ls_number_reflns_all ?
_refine.pdbx_ls_sigma_I 2.000
_refine.pdbx_ls_sigma_F ?
_refine.pdbx_data_cutoff_high_absF ?
_refine.pdbx_data_cutoff_low_absF ?
_refine.pdbx_data_cutoff_high_rms_absF ?
_refine.ls_d_res_low 8.000
_refine.ls_d_res_high 1.900
_refine.ls_percent_reflns_obs ?
_refine.ls_R_factor_obs 0.1780000
_refine.ls_R_factor_all ?
_refine.ls_R_factor_R_work ?
_refine.ls_R_factor_R_free ?
_refine.ls_R_factor_R_free_error ?
_refine.ls_R_factor_R_free_error_details ?
_refine.ls_percent_reflns_R_free ?
_refine.ls_number_reflns_R_free ?
_refine.ls_number_parameters ?
_refine.ls_number_restraints ?
_refine.occupancy_min ?
_refine.occupancy_max ?
_refine.B_iso_mean ?
_refine.aniso_B[1][1] ?
_refine.aniso_B[2][2] ?
_refine.aniso_B[3][3] ?
_refine.aniso_B[1][2] ?
_refine.aniso_B[1][3] ?
_refine.aniso_B[2][3] ?
_refine.solvent_model_details ?
_refine.solvent_model_param_ksol ?
_refine.solvent_model_param_bsol ?
_refine.pdbx_ls_cross_valid_method ?
_refine.details ?
_refine.pdbx_starting_model ?
_refine.pdbx_method_to_determine_struct ?
_refine.pdbx_isotropic_thermal_model ?
_refine.pdbx_stereochemistry_target_values ?
_refine.pdbx_stereochem_target_val_spec_case ?
_refine.pdbx_R_Free_selection_details ?
_refine.pdbx_overall_ESU_R ?
_refine.pdbx_overall_ESU_R_Free ?
_refine.overall_SU_ML ?
_refine.overall_SU_B ?
_refine.pdbx_refine_id 'X-RAY DIFFRACTION'
_refine.pdbx_diffrn_id 1
_refine.pdbx_TLS_residual_ADP_flag ?
_refine.correlation_coeff_Fo_to_Fc ?
_refine.correlation_coeff_Fo_to_Fc_free ?
_refine.pdbx_solvent_vdw_probe_radii ?
_refine.pdbx_solvent_ion_probe_radii ?
_refine.pdbx_solvent_shrinkage_radii ?
_refine.pdbx_overall_phase_error ?
_refine.overall_SU_R_Cruickshank_DPI ?
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ?
_refine.pdbx_overall_SU_R_Blow_DPI ?
_refine.pdbx_overall_SU_R_free_Blow_DPI ?
##
_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION'
_refine_hist.cycle_id LAST
_refine_hist.pdbx_number_atoms_protein 0
_refine_hist.pdbx_number_atoms_nucleic_acid 486
_refine_hist.pdbx_number_atoms_ligand 0
_refine_hist.number_atoms_solvent 80
_refine_hist.number_atoms_total 566
_refine_hist.d_res_high 1.900
_refine_hist.d_res_low 8.000
##
_struct.entry_id 1BNA
_struct.title 'STRUCTURE OF A B-DNA DODECAMER. CONFORMATION AND DYNAMICS'
_struct.pdbx_descriptor "5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3',290 K"
_struct.pdbx_model_details ?
_struct.pdbx_CASP_flag ?
_struct.pdbx_model_type_details ?
##
_struct_keywords.entry_id 1BNA
_struct_keywords.pdbx_keywords DNA
_struct_keywords.text 'B-DNA, DOUBLE HELIX, DNA'
##
loop_
_struct_asym.id
_struct_asym.pdbx_blank_PDB_chainid_flag
_struct_asym.pdbx_modified
_struct_asym.entity_id
_struct_asym.details
A N N 1 ?
B N N 1 ?
C N N 2 ?
D N N 2 ?
##
_struct_biol.id 1
##
loop_
_struct_conn.id
_struct_conn.conn_type_id
_struct_conn.pdbx_leaving_atom_flag
_struct_conn.pdbx_PDB_id
_struct_conn.ptnr1_label_asym_id
_struct_conn.ptnr1_label_comp_id
_struct_conn.ptnr1_label_seq_id
_struct_conn.ptnr1_label_atom_id
_struct_conn.pdbx_ptnr1_label_alt_id
_struct_conn.pdbx_ptnr1_PDB_ins_code
_struct_conn.pdbx_ptnr1_standard_comp_id
_struct_conn.ptnr1_symmetry
_struct_conn.ptnr2_label_asym_id
_struct_conn.ptnr2_label_comp_id
_struct_conn.ptnr2_label_seq_id
_struct_conn.ptnr2_label_atom_id
_struct_conn.pdbx_ptnr2_label_alt_id
_struct_conn.pdbx_ptnr2_PDB_ins_code
_struct_conn.ptnr1_auth_asym_id
_struct_conn.ptnr1_auth_comp_id
_struct_conn.ptnr1_auth_seq_id
_struct_conn.ptnr2_auth_asym_id
_struct_conn.ptnr2_auth_comp_id
_struct_conn.ptnr2_auth_seq_id
_struct_conn.ptnr2_symmetry
_struct_conn.pdbx_ptnr3_label_atom_id
_struct_conn.pdbx_ptnr3_label_seq_id
_struct_conn.pdbx_ptnr3_label_comp_id
_struct_conn.pdbx_ptnr3_label_asym_id
_struct_conn.pdbx_ptnr3_label_alt_id
_struct_conn.pdbx_ptnr3_PDB_ins_code
_struct_conn.details
_struct_conn.pdbx_dist_value
_struct_conn.pdbx_value_order
hydrog1 hydrog ? ? A DC 1 N3 ? ? ? 1_555 B DG 12 N1 ? ? A DC 1 B DG 24 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
hydrog2 hydrog ? ? A DC 1 N4 ? ? ? 1_555 B DG 12 O6 ? ? A DC 1 B DG 24 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
hydrog3 hydrog ? ? A DC 1 O2 ? ? ? 1_555 B DG 12 N2 ? ? A DC 1 B DG 24 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
hydrog4 hydrog ? ? A DG 2 N1 ? ? ? 1_555 B DC 11 N3 ? ? A DG 2 B DC 23 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
hydrog5 hydrog ? ? A DG 2 N2 ? ? ? 1_555 B DC 11 O2 ? ? A DG 2 B DC 23 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
hydrog6 hydrog ? ? A DG 2 O6 ? ? ? 1_555 B DC 11 N4 ? ? A DG 2 B DC 23 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
hydrog7 hydrog ? ? A DC 3 N3 ? ? ? 1_555 B DG 10 N1 ? ? A DC 3 B DG 22 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
hydrog8 hydrog ? ? A DC 3 N4 ? ? ? 1_555 B DG 10 O6 ? ? A DC 3 B DG 22 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
hydrog9 hydrog ? ? A DC 3 O2 ? ? ? 1_555 B DG 10 N2 ? ? A DC 3 B DG 22 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
hydrog10 hydrog ? ? A DG 4 N1 ? ? ? 1_555 B DC 9 N3 ? ? A DG 4 B DC 21 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
hydrog11 hydrog ? ? A DG 4 N2 ? ? ? 1_555 B DC 9 O2 ? ? A DG 4 B DC 21 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
hydrog12 hydrog ? ? A DG 4 O6 ? ? ? 1_555 B DC 9 N4 ? ? A DG 4 B DC 21 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
hydrog13 hydrog ? ? A DA 5 N1 ? ? ? 1_555 B DT 8 N3 ? ? A DA 5 B DT 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
hydrog14 hydrog ? ? A DA 5 N6 ? ? ? 1_555 B DT 8 O4 ? ? A DA 5 B DT 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
hydrog15 hydrog ? ? A DA 6 N1 ? ? ? 1_555 B DT 7 N3 ? ? A DA 6 B DT 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
hydrog16 hydrog ? ? A DA 6 N6 ? ? ? 1_555 B DT 7 O4 ? ? A DA 6 B DT 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
hydrog17 hydrog ? ? A DT 7 N3 ? ? ? 1_555 B DA 6 N1 ? ? A DT 7 B DA 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
hydrog18 hydrog ? ? A DT 7 O4 ? ? ? 1_555 B DA 6 N6 ? ? A DT 7 B DA 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
hydrog19 hydrog ? ? A DT 8 N3 ? ? ? 1_555 B DA 5 N1 ? ? A DT 8 B DA 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
hydrog20 hydrog ? ? A DT 8 O4 ? ? ? 1_555 B DA 5 N6 ? ? A DT 8 B DA 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
hydrog21 hydrog ? ? A DC 9 N3 ? ? ? 1_555 B DG 4 N1 ? ? A DC 9 B DG 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
hydrog22 hydrog ? ? A DC 9 N4 ? ? ? 1_555 B DG 4 O6 ? ? A DC 9 B DG 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
hydrog23 hydrog ? ? A DC 9 O2 ? ? ? 1_555 B DG 4 N2 ? ? A DC 9 B DG 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
hydrog24 hydrog ? ? A DG 10 N1 ? ? ? 1_555 B DC 3 N3 ? ? A DG 10 B DC 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
hydrog25 hydrog ? ? A DG 10 N2 ? ? ? 1_555 B DC 3 O2 ? ? A DG 10 B DC 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
hydrog26 hydrog ? ? A DG 10 O6 ? ? ? 1_555 B DC 3 N4 ? ? A DG 10 B DC 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
hydrog27 hydrog ? ? A DC 11 N3 ? ? ? 1_555 B DG 2 N1 ? ? A DC 11 B DG 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
hydrog28 hydrog ? ? A DC 11 N4 ? ? ? 1_555 B DG 2 O6 ? ? A DC 11 B DG 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
hydrog29 hydrog ? ? A DC 11 O2 ? ? ? 1_555 B DG 2 N2 ? ? A DC 11 B DG 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
hydrog30 hydrog ? ? A DG 12 N1 ? ? ? 1_555 B DC 1 N3 ? ? A DG 12 B DC 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
hydrog31 hydrog ? ? A DG 12 N2 ? ? ? 1_555 B DC 1 O2 ? ? A DG 12 B DC 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
hydrog32 hydrog ? ? A DG 12 O6 ? ? ? 1_555 B DC 1 N4 ? ? A DG 12 B DC 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
##
_struct_conn_type.id hydrog
_struct_conn_type.criteria ?
_struct_conn_type.reference ?
##
_database_PDB_matrix.entry_id 1BNA
_database_PDB_matrix.origx[1][1] 1.000000
_database_PDB_matrix.origx[1][2] 0.000000
_database_PDB_matrix.origx[1][3] 0.000000
_database_PDB_matrix.origx[2][1] 0.000000
_database_PDB_matrix.origx[2][2] 1.000000
_database_PDB_matrix.origx[2][3] 0.000000
_database_PDB_matrix.origx[3][1] 0.000000
_database_PDB_matrix.origx[3][2] 0.000000
_database_PDB_matrix.origx[3][3] 1.000000
_database_PDB_matrix.origx_vector[1] 0.00000
_database_PDB_matrix.origx_vector[2] 0.00000
_database_PDB_matrix.origx_vector[3] 0.00000
##
_atom_sites.entry_id 1BNA
_atom_sites.fract_transf_matrix[1][1] 0.040209
_atom_sites.fract_transf_matrix[1][2] 0.000000
_atom_sites.fract_transf_matrix[1][3] 0.000000
_atom_sites.fract_transf_matrix[2][1] 0.000000
_atom_sites.fract_transf_matrix[2][2] 0.024759
_atom_sites.fract_transf_matrix[2][3] 0.000000
_atom_sites.fract_transf_matrix[3][1] 0.000000
_atom_sites.fract_transf_matrix[3][2] 0.000000
_atom_sites.fract_transf_matrix[3][3] 0.015106
_atom_sites.fract_transf_vector[1] 0.00000
_atom_sites.fract_transf_vector[2] 0.00000
_atom_sites.fract_transf_vector[3] 0.00000
##
loop_
_atom_type.symbol
C
N
O
P
##
loop_
_atom_site.group_PDB
_atom_site.id
_atom_site.type_symbol
_atom_site.label_atom_id
_atom_site.label_alt_id
_atom_site.label_comp_id
_atom_site.label_asym_id
_atom_site.label_entity_id
_atom_site.label_seq_id
_atom_site.pdbx_PDB_ins_code
_atom_site.Cartn_x
_atom_site.Cartn_y
_atom_site.Cartn_z
_atom_site.occupancy
_atom_site.B_iso_or_equiv
_atom_site.pdbx_formal_charge
_atom_site.auth_seq_id
_atom_site.auth_comp_id
_atom_site.auth_asym_id
_atom_site.auth_atom_id
_atom_site.pdbx_PDB_model_num
ATOM 1 O "O5'" . DC A 1 1 ? 18.935 34.195 25.617 1.00 64.35 ? 1 DC A "O5'" 1
ATOM 2 C "C5'" . DC A 1 1 ? 19.130 33.921 24.219 1.00 44.69 ? 1 DC A "C5'" 1
ATOM 3 C "C4'" . DC A 1 1 ? 19.961 32.668 24.100 1.00 31.28 ? 1 DC A "C4'" 1
ATOM 4 O "O4'" . DC A 1 1 ? 19.360 31.583 24.852 1.00 37.45 ? 1 DC A "O4'" 1
ATOM 5 C "C3'" . DC A 1 1 ? 20.172 32.122 22.694 1.00 46.72 ? 1 DC A "C3'" 1
ATOM 6 O "O3'" . DC A 1 1 ? 21.350 31.325 22.681 1.00 48.89 ? 1 DC A "O3'" 1
ATOM 7 C "C2'" . DC A 1 1 ? 18.948 31.223 22.647 1.00 30.88 ? 1 DC A "C2'" 1
ATOM 8 C "C1'" . DC A 1 1 ? 19.231 30.482 23.944 1.00 36.58 ? 1 DC A "C1'" 1
ATOM 9 N N1 . DC A 1 1 ? 18.070 29.661 24.380 1.00 40.51 ? 1 DC A N1 1
ATOM 10 C C2 . DC A 1 1 ? 18.224 28.454 25.015 1.00 16.62 ? 1 DC A C2 1
ATOM 11 O O2 . DC A 1 1 ? 19.360 28.014 25.214 1.00 27.75 ? 1 DC A O2 1
ATOM 12 N N3 . DC A 1 1 ? 17.143 27.761 25.377 1.00 20.55 ? 1 DC A N3 1
ATOM 13 C C4 . DC A 1 1 ? 15.917 28.226 25.120 1.00 34.72 ? 1 DC A C4 1
ATOM 14 N N4 . DC A 1 1 ? 14.828 27.477 25.444 1.00 40.31 ? 1 DC A N4 1
ATOM 15 C C5 . DC A 1 1 ? 15.719 29.442 24.471 1.00 30.78 ? 1 DC A C5 1
ATOM 16 C C6 . DC A 1 1 ? 16.843 30.171 24.101 1.00 25.90 ? 1 DC A C6 1
ATOM 17 P P . DG A 1 2 ? 22.409 31.286 21.483 1.00 58.85 ? 2 DG A P 1
ATOM 18 O OP1 . DG A 1 2 ? 23.536 32.157 21.851 1.00 57.82 ? 2 DG A OP1 1
ATOM 19 O OP2 . DG A 1 2 ? 21.822 31.459 20.139 1.00 78.33 ? 2 DG A OP2 1
ATOM 20 O "O5'" . DG A 1 2 ? 22.840 29.751 21.498 1.00 40.36 ? 2 DG A "O5'" 1
ATOM 21 C "C5'" . DG A 1 2 ? 23.543 29.175 22.594 1.00 47.19 ? 2 DG A "C5'" 1
ATOM 22 C "C4'" . DG A 1 2 ? 23.494 27.709 22.279 1.00 47.81 ? 2 DG A "C4'" 1
ATOM 23 O "O4'" . DG A 1 2 ? 22.193 27.252 22.674 1.00 38.76 ? 2 DG A "O4'" 1
ATOM 24 C "C3'" . DG A 1 2 ? 23.693 27.325 20.807 1.00 28.58 ? 2 DG A "C3'" 1
ATOM 25 O "O3'" . DG A 1 2 ? 24.723 26.320 20.653 1.00 40.44 ? 2 DG A "O3'" 1
ATOM 26 C "C2'" . DG A 1 2 ? 22.273 26.885 20.416 1.00 21.14 ? 2 DG A "C2'" 1
ATOM 27 C "C1'" . DG A 1 2 ? 21.721 26.304 21.716 1.00 33.95 ? 2 DG A "C1'" 1
ATOM 28 N N9 . DG A 1 2 ? 20.237 26.470 21.780 1.00 34.00 ? 2 DG A N9 1
ATOM 29 C C8 . DG A 1 2 ? 19.526 27.584 21.429 1.00 36.47 ? 2 DG A C8 1
ATOM 30 N N7 . DG A 1 2 ? 18.207 27.455 21.636 1.00 32.37 ? 2 DG A N7 1
ATOM 31 C C5 . DG A 1 2 ? 18.083 26.212 22.142 1.00 15.06 ? 2 DG A C5 1
ATOM 32 C C6 . DG A 1 2 ? 16.904 25.525 22.545 1.00 11.88 ? 2 DG A C6 1
ATOM 33 O O6 . DG A 1 2 ? 15.739 25.916 22.518 1.00 21.30 ? 2 DG A O6 1
ATOM 34 N N1 . DG A 1 2 ? 17.197 24.279 23.037 1.00 15.44 ? 2 DG A N1 1
ATOM 35 C C2 . DG A 1 2 ? 18.434 23.717 23.155 1.00 9.63 ? 2 DG A C2 1
ATOM 36 N N2 . DG A 1 2 ? 18.508 22.456 23.668 1.00 16.69 ? 2 DG A N2 1
ATOM 37 N N3 . DG A 1 2 ? 19.537 24.360 22.770 1.00 30.98 ? 2 DG A N3 1
ATOM 38 C C4 . DG A 1 2 ? 19.290 25.594 22.274 1.00 18.56 ? 2 DG A C4 1
ATOM 39 P P . DC A 1 3 ? 25.064 25.621 19.252 1.00 44.67 ? 3 DC A P 1
ATOM 40 O OP1 . DC A 1 3 ? 26.506 25.316 19.220 1.00 53.89 ? 3 DC A OP1 1
ATOM 41 O OP2 . DC A 1 3 ? 24.559 26.412 18.115 1.00 57.79 ? 3 DC A OP2 1
ATOM 42 O "O5'" . DC A 1 3 ? 24.260 24.246 19.327 1.00 35.42 ? 3 DC A "O5'" 1
ATOM 43 C "C5'" . DC A 1 3 ? 24.584 23.285 20.335 1.00 45.75 ? 3 DC A "C5'" 1
ATOM 44 C "C4'" . DC A 1 3 ? 23.523 22.233 20.245 1.00 43.02 ? 3 DC A "C4'" 1
ATOM 45 O "O4'" . DC A 1 3 ? 22.256 22.844 20.453 1.00 36.85 ? 3 DC A "O4'" 1
ATOM 46 C "C3'" . DC A 1 3 ? 23.424 21.557 18.903 1.00 40.14 ? 3 DC A "C3'" 1
ATOM 47 O "O3'" . DC A 1 3 ? 24.121 20.309 18.928 1.00 49.62 ? 3 DC A "O3'" 1
ATOM 48 C "C2'" . DC A 1 3 ? 21.930 21.406 18.661 1.00 53.79 ? 3 DC A "C2'" 1
ATOM 49 C "C1'" . DC A 1 3 ? 21.278 21.966 19.909 1.00 22.18 ? 3 DC A "C1'" 1
ATOM 50 N N1 . DC A 1 3 ? 20.196 22.889 19.521 1.00 25.44 ? 3 DC A N1 1
ATOM 51 C C2 . DC A 1 3 ? 18.909 22.584 19.816 1.00 19.81 ? 3 DC A C2 1
ATOM 52 O O2 . DC A 1 3 ? 18.685 21.512 20.382 1.00 29.92 ? 3 DC A O2 1
ATOM 53 N N3 . DC A 1 3 ? 17.935 23.447 19.502 1.00 21.59 ? 3 DC A N3 1
ATOM 54 C C4 . DC A 1 3 ? 18.217 24.603 18.897 1.00 14.01 ? 3 DC A C4 1
ATOM 55 N N4 . DC A 1 3 ? 17.221 25.499 18.629 1.00 26.88 ? 3 DC A N4 1
ATOM 56 C C5 . DC A 1 3 ? 19.526 24.945 18.571 1.00 27.59 ? 3 DC A C5 1
ATOM 57 C C6 . DC A 1 3 ? 20.537 24.048 18.899 1.00 27.05 ? 3 DC A C6 1
ATOM 58 P P . DG A 1 4 ? 24.249 19.412 17.617 1.00 44.54 ? 4 DG A P 1
ATOM 59 O OP1 . DG A 1 4 ? 25.420 18.535 17.765 1.00 61.90 ? 4 DG A OP1 1
ATOM 60 O OP2 . DG A 1 4 ? 24.208 20.296 16.440 1.00 37.36 ? 4 DG A OP2 1
ATOM 61 O "O5'" . DG A 1 4 ? 22.931 18.537 17.670 1.00 32.01 ? 4 DG A "O5'" 1
ATOM 62 C "C5'" . DG A 1 4 ? 22.714 17.625 18.753 1.00 37.89 ? 4 DG A "C5'" 1
ATOM 63 C "C4'" . DG A 1 4 ? 21.393 16.960 18.505 1.00 53.00 ? 4 DG A "C4'" 1
ATOM 64 O "O4'" . DG A 1 4 ? 20.353 17.952 18.496 1.00 38.79 ? 4 DG A "O4'" 1
ATOM 65 C "C3'" . DG A 1 4 ? 21.264 16.229 17.176 1.00 56.72 ? 4 DG A "C3'" 1
ATOM 66 O "O3'" . DG A 1 4 ? 20.284 15.214 17.238 1.00 64.12 ? 4 DG A "O3'" 1
ATOM 67 C "C2'" . DG A 1 4 ? 20.793 17.368 16.288 1.00 40.81 ? 4 DG A "C2'" 1
ATOM 68 C "C1'" . DG A 1 4 ? 19.716 17.901 17.218 1.00 30.52 ? 4 DG A "C1'" 1
ATOM 69 N N9 . DG A 1 4 ? 19.305 19.281 16.869 1.00 28.53 ? 4 DG A N9 1
ATOM 70 C C8 . DG A 1 4 ? 20.017 20.263 16.232 1.00 27.82 ? 4 DG A C8 1
ATOM 71 N N7 . DG A 1 4 ? 19.313 21.394 16.077 1.00 28.01 ? 4 DG A N7 1
ATOM 72 C C5 . DG A 1 4 ? 18.121 21.100 16.635 1.00 23.22 ? 4 DG A C5 1
ATOM 73 C C6 . DG A 1 4 ? 16.952 21.904 16.749 1.00 29.21 ? 4 DG A C6 1
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
ATOM 244 O "O5'" . DC B 1 1 ? 7.458 11.884 -9.070 1.00 66.23 ? 13 DC B "O5'" 1
ATOM 245 C "C5'" . DC B 1 1 ? 8.252 10.968 -9.854 1.00 71.49 ? 13 DC B "C5'" 1
ATOM 246 C "C4'" . DC B 1 1 ? 9.714 11.141 -9.512 1.00 56.82 ? 13 DC B "C4'" 1
ATOM 247 O "O4'" . DC B 1 1 ? 10.144 12.455 -9.908 1.00 57.92 ? 13 DC B "O4'" 1
ATOM 248 C "C3'" . DC B 1 1 ? 10.103 10.989 -8.055 1.00 34.34 ? 13 DC B "C3'" 1
ATOM 249 O "O3'" . DC B 1 1 ? 11.293 10.221 -7.904 1.00 42.11 ? 13 DC B "O3'" 1
ATOM 250 C "C2'" . DC B 1 1 ? 10.254 12.437 -7.607 1.00 29.08 ? 13 DC B "C2'" 1
ATOM 251 C "C1'" . DC B 1 1 ? 10.896 13.044 -8.837 1.00 38.40 ? 13 DC B "C1'" 1
ATOM 252 N N1 . DC B 1 1 ? 10.575 14.487 -8.944 1.00 34.33 ? 13 DC B N1 1
ATOM 253 C C2 . DC B 1 1 ? 11.559 15.430 -9.006 1.00 22.98 ? 13 DC B C2 1
ATOM 254 O O2 . DC B 1 1 ? 12.725 15.066 -8.932 1.00 50.83 ? 13 DC B O2 1
ATOM 255 N N3 . DC B 1 1 ? 11.246 16.714 -9.193 1.00 37.14 ? 13 DC B N3 1
ATOM 256 C C4 . DC B 1 1 ? 9.980 17.088 -9.334 1.00 42.60 ? 13 DC B C4 1
ATOM 257 N N4 . DC B 1 1 ? 9.698 18.395 -9.589 1.00 54.91 ? 13 DC B N4 1
ATOM 258 C C5 . DC B 1 1 ? 8.939 16.162 -9.274 1.00 56.67 ? 13 DC B C5 1
ATOM 259 C C6 . DC B 1 1 ? 9.265 14.824 -9.080 1.00 49.21 ? 13 DC B C6 1
ATOM 260 P P . DG B 1 2 ? 11.602 9.510 -6.502 1.00 60.42 ? 14 DG B P 1
ATOM 261 O OP1 . DG B 1 2 ? 11.666 8.032 -6.664 1.00 57.44 ? 14 DG B OP1 1
ATOM 262 O OP2 . DG B 1 2 ? 10.644 10.010 -5.494 1.00 46.07 ? 14 DG B OP2 1
ATOM 263 O "O5'" . DG B 1 2 ? 13.051 10.094 -6.177 1.00 50.94 ? 14 DG B "O5'" 1
ATOM 264 C "C5'" . DG B 1 2 ? 14.100 10.021 -7.156 1.00 34.84 ? 14 DG B "C5'" 1
ATOM 265 C "C4'" . DG B 1 2 ? 15.113 10.992 -6.657 1.00 48.06 ? 14 DG B "C4'" 1
ATOM 266 O "O4'" . DG B 1 2 ? 14.556 12.300 -6.755 1.00 37.01 ? 14 DG B "O4'" 1
ATOM 267 C "C3'" . DG B 1 2 ? 15.445 10.806 -5.189 1.00 50.58 ? 14 DG B "C3'" 1
ATOM 268 O "O3'" . DG B 1 2 ? 16.836 10.560 -5.013 1.00 51.98 ? 14 DG B "O3'" 1
ATOM 269 C "C2'" . DG B 1 2 ? 14.937 12.100 -4.529 1.00 40.32 ? 14 DG B "C2'" 1
ATOM 270 C "C1'" . DG B 1 2 ? 15.058 13.086 -5.671 1.00 46.69 ? 14 DG B "C1'" 1
ATOM 271 N N9 . DG B 1 2 ? 14.036 14.140 -5.536 1.00 29.17 ? 14 DG B N9 1
ATOM 272 C C8 . DG B 1 2 ? 12.710 13.957 -5.259 1.00 23.48 ? 14 DG B C8 1
ATOM 273 N N7 . DG B 1 2 ? 12.016 15.103 -5.269 1.00 37.54 ? 14 DG B N7 1
ATOM 274 C C5 . DG B 1 2 ? 12.937 16.041 -5.558 1.00 26.27 ? 14 DG B C5 1
ATOM 275 C C6 . DG B 1 2 ? 12.761 17.451 -5.710 1.00 40.82 ? 14 DG B C6 1
ATOM 276 O O6 . DG B 1 2 ? 11.723 18.111 -5.630 1.00 44.39 ? 14 DG B O6 1
ATOM 277 N N1 . DG B 1 2 ? 13.952 18.079 -5.973 1.00 19.52 ? 14 DG B N1 1
ATOM 278 C C2 . DG B 1 2 ? 15.171 17.485 -6.107 1.00 18.48 ? 14 DG B C2 1
ATOM 279 N N2 . DG B 1 2 ? 16.244 18.292 -6.325 1.00 36.58 ? 14 DG B N2 1
ATOM 280 N N3 . DG B 1 2 ? 15.329 16.161 -5.986 1.00 46.96 ? 14 DG B N3 1
ATOM 281 C C4 . DG B 1 2 ? 14.179 15.499 -5.721 1.00 35.70 ? 14 DG B C4 1
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
ATOM 285 O "O5'" . DC B 1 3 ? 17.957 11.865 -3.208 1.00 40.97 ? 15 DC B "O5'" 1
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
ATOM 289 C "C3'" . DC B 1 3 ? 19.253 14.139 -2.066 1.00 43.98 ? 15 DC B "C3'" 1
ATOM 290 O "O3'" . DC B 1 3 ? 20.659 14.219 -1.858 1.00 40.90 ? 15 DC B "O3'" 1
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
ATOM 293 N N1 . DC B 1 3 ? 16.145 15.696 -2.428 1.00 23.10 ? 15 DC B N1 1
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
ATOM 296 N N3 . DC B 1 3 ? 14.209 16.983 -2.264 1.00 32.94 ? 15 DC B N3 1
ATOM 297 C C4 . DC B 1 3 ? 13.536 15.919 -1.825 1.00 16.43 ? 15 DC B C4 1
ATOM 298 N N4 . DC B 1 3 ? 12.205 16.017 -1.553 1.00 34.91 ? 15 DC B N4 1
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
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
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
ATOM 322 C C4 . DG B 1 4 ? 17.236 18.794 0.384 1.00 31.72 ? 16 DG B C4 1
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
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
ATOM 328 C "C4'" . DA B 1 5 ? 20.101 23.788 0.484 1.00 35.43 ? 17 DA B "C4'" 1
ATOM 329 O "O4'" . DA B 1 5 ? 18.913 23.054 0.816 1.00 43.05 ? 17 DA B "O4'" 1
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
_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
_ndb_struct_ntc_step_parameters.diff_dist_CC
_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
##
#
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Please register or to comment