data_4HIF
# 
_entry.id   4HIF 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.286 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
PDB   4HIF         
NDB   NA2073       
RCSB  RCSB075505   
WWPDB D_1000075505 
# 
loop_
_pdbx_database_related.db_name 
_pdbx_database_related.db_id 
_pdbx_database_related.details 
_pdbx_database_related.content_type 
PDB 1ICK . unspecified 
PDB 211D . unspecified 
PDB 3P4J . unspecified 
PDB 1D39 . unspecified 
PDB 4HID . unspecified 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.entry_id                        4HIF 
_pdbx_database_status.recvd_initial_deposition_date   2012-10-11 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.SG_entry                        ? 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Drozdzal, P.'  1 
'Gilski, M.'    2 
'Kierzek, R.'   3 
'Lomozik, L.'   4 
'Jaskolski, M.' 5 
# 
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 'Ultrahigh-resolution crystal structures of Z-DNA in complex with Mn(2+) and Zn(2+) ions.'    'Acta Crystallogr.,Sect.D' 
69 1180 1190 2013 ABCRE6 DK 0907-4449 0766 ? 23695262 10.1107/S0907444913007798 
1       'High regularity of Z-DNA revealed by ultra high-resolution crystal structure at 0.55 A'      'Nucleic Acids Res.'       
39 6238 6248 2011 NARHAD UK 0305-1048 0389 ? ?        ?                         
2       'Anomalous signal of phosphorus used for phasing DNA oligomer: importance of data redundancy' 'Acta Crystallogr.,Sect.D' 
57 990  995  2001 ABCRE6 DK 0907-4449 0766 ? ?        ?                         
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
primary 'Drozdzal, P.'      1  
primary 'Gilski, M.'        2  
primary 'Kierzek, R.'       3  
primary 'Lomozik, L.'       4  
primary 'Jaskolski, M.'     5  
1       'Brzezinski, K.'    6  
1       'Brzuszkiewicz, A.' 7  
1       'Dauter, M.'        8  
1       'Kubicki, M.'       9  
1       'Jaskolski, M.'     10 
1       'Dauter, Z.'        11 
2       'Dauter, Z.'        12 
2       'Adamiak, D.A.'     13 
# 
_cell.entry_id           4HIF 
_cell.length_a           17.791 
_cell.length_b           30.907 
_cell.length_c           44.196 
_cell.angle_alpha        90.00 
_cell.angle_beta         90.00 
_cell.angle_gamma        90.00 
_cell.Z_PDB              8 
_cell.pdbx_unique_axis   ? 
_cell.length_a_esd       ? 
_cell.length_b_esd       ? 
_cell.length_c_esd       ? 
_cell.angle_alpha_esd    ? 
_cell.angle_beta_esd     ? 
_cell.angle_gamma_esd    ? 
# 
_symmetry.entry_id                         4HIF 
_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 
_symmetry.space_group_name_Hall            ? 
# 
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*CP*G)-3')
;
1810.205 2  ? ? ? ? 
2 non-polymer syn 'ZINC ION'                         65.409   2  ? ? ? ? 
3 non-polymer syn 'CHLORIDE ION'                     35.453   1  ? ? ? ? 
4 non-polymer syn 'SPERMINE (FULLY PROTONATED FORM)' 206.372  1  ? ? ? ? 
5 water       nat water                              18.015   75 ? ? ? ? 
# 
_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)(DC)(DG)' 
_entity_poly.pdbx_seq_one_letter_code_can   CGCGCG 
_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 DC n 
1 6 DG n 
# 
_pdbx_entity_src_syn.entity_id              1 
_pdbx_entity_src_syn.pdbx_src_id            1 
_pdbx_entity_src_syn.pdbx_alt_source_flag   sample 
_pdbx_entity_src_syn.pdbx_beg_seq_num       ? 
_pdbx_entity_src_syn.pdbx_end_seq_num       ? 
_pdbx_entity_src_syn.organism_scientific    'synthetic construct' 
_pdbx_entity_src_syn.organism_common_name   ? 
_pdbx_entity_src_syn.ncbi_taxonomy_id       32630 
_pdbx_entity_src_syn.details                'Synthetic construct' 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    PDB 
_struct_ref.db_code                    4HIF 
_struct_ref.pdbx_db_accession          4HIF 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_align_begin           ? 
_struct_ref.pdbx_seq_one_letter_code   ? 
_struct_ref.pdbx_db_isoform            ? 
# 
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 4HIF A 1 ? 6 ? 4HIF 1 ? 6  ? 1 6  
2 1 4HIF B 1 ? 6 ? 4HIF 7 ? 12 ? 7 12 
# 
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 
CL  non-polymer   . 'CHLORIDE ION'                       ? 'Cl -1'           35.453  
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 
HOH non-polymer   . WATER                                ? 'H2 O'            18.015  
SPK non-polymer   . 'SPERMINE (FULLY PROTONATED FORM)'   ? 'C10 H30 N4 4'    206.372 
ZN  non-polymer   . 'ZINC ION'                           ? 'Zn 2'            65.409  
# 
_exptl.entry_id          4HIF 
_exptl.method            'X-RAY DIFFRACTION' 
_exptl.crystals_number   1 
# 
_exptl_crystal.id                    1 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_Matthews      1.53 
_exptl_crystal.density_percent_sol   19.80 
_exptl_crystal.description           ? 
_exptl_crystal.F_000                 ? 
_exptl_crystal.preparation           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          ? 
_exptl_crystal_grow.temp            292 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pH              6 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.pdbx_details    
;A 1.5 MM DNA WATER SOLUTION MIXED 1:1 V/V WITH 10% MPD, 12 MM SPERMINE TETRA-HCL,12 MM NACL, 80 MM KCL AND EQUILIBRATED AGAINST 35% MPD, PH 6. VAPOR DIFFUSION, HANGING DROP METHOD, TEMPERATURE 292K. FOR ZN2+ SOAKING A CRYSTAL WAS PLACED IN 0.002 ML OF THE RESERVOIR SOLUTION MIXED WITH 0.002 ML OF 5 MM ZNCL2 FOR ONE WEEK.
;
# 
_diffrn.id                     1 
_diffrn.ambient_temp           100 
_diffrn.ambient_temp_details   ? 
_diffrn.crystal_id             1 
# 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.detector               'IMAGE PLATE' 
_diffrn_detector.type                   'MAR555 FLAT PANEL' 
_diffrn_detector.pdbx_collection_date   2010-12-02 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.monochromator                    'SI 111 CHANNEL' 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.8174 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'EMBL/DESY, HAMBURG BEAMLINE X11' 
_diffrn_source.pdbx_synchrotron_site       'EMBL/DESY, Hamburg' 
_diffrn_source.pdbx_synchrotron_beamline   X11 
_diffrn_source.pdbx_wavelength             0.8174 
_diffrn_source.pdbx_wavelength_list        ? 
# 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.entry_id                     4HIF 
_reflns.observed_criterion_sigma_I   -3.000 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             17.976 
_reflns.d_resolution_high            0.849 
_reflns.number_obs                   36512 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         87.9 
_reflns.pdbx_Rmerge_I_obs            0.03600 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        20.0200 
_reflns.B_iso_Wilson_estimate        8.109 
_reflns.pdbx_redundancy              3.020 
_reflns.R_free_details               ? 
_reflns.pdbx_chi_squared             ? 
_reflns.pdbx_scaling_rejects         ? 
# 
_reflns_shell.pdbx_diffrn_id         1 
_reflns_shell.pdbx_ordinal           1 
_reflns_shell.d_res_high             0.85 
_reflns_shell.d_res_low              0.90 
_reflns_shell.percent_possible_all   63.8 
_reflns_shell.Rmerge_I_obs           0.22200 
_reflns_shell.pdbx_Rsym_value        ? 
_reflns_shell.meanI_over_sigI_obs    3.110 
_reflns_shell.pdbx_redundancy        1.77 
_reflns_shell.percent_possible_obs   ? 
_reflns_shell.number_unique_all      ? 
_reflns_shell.number_measured_all    ? 
_reflns_shell.number_measured_obs    ? 
_reflns_shell.number_unique_obs      ? 
_reflns_shell.pdbx_chi_squared       ? 
# 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.entry_id                                 4HIF 
_refine.pdbx_diffrn_id                           1 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.ls_number_reflns_obs                     ? 
_refine.ls_number_reflns_all                     36512 
_refine.pdbx_ls_sigma_I                          ? 
_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                             17.976 
_refine.ls_d_res_high                            0.85 
_refine.ls_percent_reflns_obs                    87.9 
_refine.ls_R_factor_obs                          0.092 
_refine.ls_R_factor_all                          0.092 
_refine.ls_R_factor_R_work                       ? 
_refine.ls_R_factor_R_free                       0.113 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_percent_reflns_R_free                 2.75 
_refine.ls_number_reflns_R_free                  1004 
_refine.ls_number_parameters                     3228 
_refine.ls_number_restraints                     709 
_refine.occupancy_min                            ? 
_refine.occupancy_max                            ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_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                    'MOEWS & KRETSINGER, J.MOL.BIOL.(1975) 91, 201' 
_refine.solvent_model_param_ksol                 ? 
_refine.solvent_model_param_bsol                 ? 
_refine.pdbx_solvent_vdw_probe_radii             ? 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R' 
_refine.details                                  
;THE REFINEMENT WAS CARRIED OUT AGAINST SEPARATE BIJVOET PAIRS. ANISOTROPIC ADPS. ANISOTROPIC REFINEMENT REDUCED FREE R-FACTOR FROM 0.1562 TO 0.1235. HYDROGEN ATOMS WERE ADDED AT RIDING POSITIONS. THE FINAL REFINEMENT WAS CALCULATED USING WEIGHTED FULL MATRIX LEAST-SQUARES PROCEDURE.
;
_refine.pdbx_starting_model                      1I0T 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_stereochemistry_target_values       'CLOWNEY, GELBIN & PARKINSON' 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_R_Free_selection_details            RANDOM 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.overall_SU_ML                            ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.overall_SU_B                             ? 
_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.ls_redundancy_reflns_obs                 ? 
_refine.overall_SU_R_free                        ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
# 
_refine_analyze.pdbx_refine_id                  'X-RAY DIFFRACTION' 
_refine_analyze.entry_id                        4HIF 
_refine_analyze.Luzzati_coordinate_error_obs    ? 
_refine_analyze.Luzzati_sigma_a_obs             ? 
_refine_analyze.Luzzati_d_res_low_obs           ? 
_refine_analyze.Luzzati_coordinate_error_free   ? 
_refine_analyze.Luzzati_sigma_a_free            ? 
_refine_analyze.Luzzati_d_res_low_free          ? 
_refine_analyze.number_disordered_residues      6 
_refine_analyze.occupancy_sum_hydrogen          144.60 
_refine_analyze.occupancy_sum_non_hydrogen      313.39 
# 
_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   240 
_refine_hist.pdbx_number_atoms_ligand         17 
_refine_hist.number_atoms_solvent             75 
_refine_hist.number_atoms_total               332 
_refine_hist.d_res_high                       0.85 
_refine_hist.d_res_low                        17.976 
# 
loop_
_refine_ls_restr.type 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.weight 
_refine_ls_restr.number 
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.pdbx_restraint_function 
s_bond_d               0.027 ? ? ? 'X-RAY DIFFRACTION' ? 
s_angle_d              0.059 ? ? ? 'X-RAY DIFFRACTION' ? 
s_similar_dist         0.000 ? ? ? 'X-RAY DIFFRACTION' ? 
s_from_restr_planes    0.000 ? ? ? 'X-RAY DIFFRACTION' ? 
s_zero_chiral_vol      0.000 ? ? ? 'X-RAY DIFFRACTION' ? 
s_non_zero_chiral_vol  0.000 ? ? ? 'X-RAY DIFFRACTION' ? 
s_anti_bump_dis_restr  0.123 ? ? ? 'X-RAY DIFFRACTION' ? 
s_rigid_bond_adp_cmpnt 0.025 ? ? ? 'X-RAY DIFFRACTION' ? 
s_similar_adp_cmpnt    0.033 ? ? ? 'X-RAY DIFFRACTION' ? 
s_approx_iso_adps      0.076 ? ? ? 'X-RAY DIFFRACTION' ? 
# 
_pdbx_refine.pdbx_refine_id                              'X-RAY DIFFRACTION' 
_pdbx_refine.entry_id                                    4HIF 
_pdbx_refine.R_factor_all_no_cutoff                      0.092 
_pdbx_refine.R_factor_obs_no_cutoff                      0.092 
_pdbx_refine.free_R_factor_no_cutoff                     0.113 
_pdbx_refine.free_R_error_no_cutoff                      ? 
_pdbx_refine.free_R_val_test_set_size_perc_no_cutoff     2.75 
_pdbx_refine.free_R_val_test_set_ct_no_cutoff            1004 
_pdbx_refine.R_factor_all_4sig_cutoff                    0.083 
_pdbx_refine.R_factor_obs_4sig_cutoff                    0.083 
_pdbx_refine.free_R_factor_4sig_cutoff                   0.104 
_pdbx_refine.free_R_val_test_set_size_perc_4sig_cutoff   2.73 
_pdbx_refine.free_R_val_test_set_ct_4sig_cutoff          850 
_pdbx_refine.number_reflns_obs_4sig_cutoff               31130 
# 
_struct.entry_id                  4HIF 
_struct.title                     'Ultrahigh-resolution crystal structure of Z-DNA in complex with Zn2+ ions' 
_struct.pdbx_descriptor           "5'-D(*CP*GP*CP*GP*CP*G)-3'" 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        4HIF 
_struct_keywords.pdbx_keywords   DNA 
_struct_keywords.text            'self-complementary DNA, DNA, Z-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 ? 
E N N 3 ? 
F N N 4 ? 
G N N 5 ? 
H N N 5 ? 
# 
_struct_biol.id        1 
_struct_biol.details   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
metalc1  metalc ? ? B DG 4 N7 ? ? ? 1_555 D ZN  . ZN ? ? B DG 10  B ZN  101 1_555 ? ? ? ? ? ? ?            1.991 ? 
metalc2  metalc ? ? A DG 6 N7 ? ? ? 1_555 C ZN  . ZN ? ? A DG 6   A ZN  101 1_555 ? ? ? ? ? ? ?            2.112 ? 
metalc3  metalc ? ? D ZN . ZN ? ? ? 1_555 H HOH . O  ? ? B ZN 101 B HOH 233 1_555 ? ? ? ? ? ? ?            1.944 ? 
metalc4  metalc ? ? C ZN . ZN ? ? ? 1_555 G HOH . O  ? ? A ZN 101 A HOH 205 1_555 ? ? ? ? ? ? ?            2.097 ? 
metalc5  metalc ? ? C ZN . ZN ? ? ? 1_555 G HOH . O  ? ? A ZN 101 A HOH 234 1_555 ? ? ? ? ? ? ?            2.110 ? 
metalc6  metalc ? ? C ZN . ZN ? ? ? 1_555 G HOH . O  ? ? A ZN 101 A HOH 235 1_555 ? ? ? ? ? ? ?            2.114 ? 
metalc7  metalc ? ? C ZN . ZN ? ? ? 1_555 G HOH . O  ? ? A ZN 101 A HOH 201 1_555 ? ? ? ? ? ? ?            2.117 ? 
metalc8  metalc ? ? C ZN . ZN ? ? ? 1_555 G HOH . O  ? ? A ZN 101 A HOH 210 1_555 ? ? ? ? ? ? ?            2.140 ? 
hydrog1  hydrog ? ? A DC 1 N3 ? ? ? 1_555 B DG  6 N1 ? ? A DC 1   B DG  12  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog2  hydrog ? ? A DC 1 N4 ? ? ? 1_555 B DG  6 O6 ? ? A DC 1   B DG  12  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog3  hydrog ? ? A DC 1 O2 ? ? ? 1_555 B DG  6 N2 ? ? A DC 1   B DG  12  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog4  hydrog ? ? A DG 2 N1 ? ? ? 1_555 B DC  5 N3 ? ? A DG 2   B DC  11  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog5  hydrog ? ? A DG 2 N2 ? ? ? 1_555 B DC  5 O2 ? ? A DG 2   B DC  11  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog6  hydrog ? ? A DG 2 O6 ? ? ? 1_555 B DC  5 N4 ? ? A DG 2   B DC  11  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog7  hydrog ? ? A DC 3 N3 ? ? ? 1_555 B DG  4 N1 ? ? A DC 3   B DG  10  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog8  hydrog ? ? A DC 3 N4 ? ? ? 1_555 B DG  4 O6 ? ? A DC 3   B DG  10  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog9  hydrog ? ? A DC 3 O2 ? ? ? 1_555 B DG  4 N2 ? ? A DC 3   B DG  10  1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog10 hydrog ? ? A DG 4 N1 ? ? ? 1_555 B DC  3 N3 ? ? A DG 4   B DC  9   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog11 hydrog ? ? A DG 4 N2 ? ? ? 1_555 B DC  3 O2 ? ? A DG 4   B DC  9   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog12 hydrog ? ? A DG 4 O6 ? ? ? 1_555 B DC  3 N4 ? ? A DG 4   B DC  9   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog13 hydrog ? ? A DC 5 N3 ? ? ? 1_555 B DG  2 N1 ? ? A DC 5   B DG  8   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog14 hydrog ? ? A DC 5 N4 ? ? ? 1_555 B DG  2 O6 ? ? A DC 5   B DG  8   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog15 hydrog ? ? A DC 5 O2 ? ? ? 1_555 B DG  2 N2 ? ? A DC 5   B DG  8   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog16 hydrog ? ? A DG 6 N1 ? ? ? 1_555 B DC  1 N3 ? ? A DG 6   B DC  7   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog17 hydrog ? ? A DG 6 N2 ? ? ? 1_555 B DC  1 O2 ? ? A DG 6   B DC  7   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog18 hydrog ? ? A DG 6 O6 ? ? ? 1_555 B DC  1 N4 ? ? A DG 6   B DC  7   1_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
metalc ? ? 
hydrog ? ? 
# 
loop_
_struct_site.id 
_struct_site.pdbx_evidence_code 
_struct_site.pdbx_auth_asym_id 
_struct_site.pdbx_auth_comp_id 
_struct_site.pdbx_auth_seq_id 
_struct_site.pdbx_auth_ins_code 
_struct_site.pdbx_num_residues 
_struct_site.details 
AC1 Software ? ? ? ? 6  'BINDING SITE FOR RESIDUE ZN A 101'  
AC2 Software ? ? ? ? 4  'BINDING SITE FOR RESIDUE ZN B 101'  
AC3 Software ? ? ? ? 4  'BINDING SITE FOR RESIDUE CL B 102'  
AC4 Software ? ? ? ? 12 'BINDING SITE FOR RESIDUE SPK B 103' 
# 
loop_
_struct_site_gen.id 
_struct_site_gen.site_id 
_struct_site_gen.pdbx_num_res 
_struct_site_gen.label_comp_id 
_struct_site_gen.label_asym_id 
_struct_site_gen.label_seq_id 
_struct_site_gen.pdbx_auth_ins_code 
_struct_site_gen.auth_comp_id 
_struct_site_gen.auth_asym_id 
_struct_site_gen.auth_seq_id 
_struct_site_gen.label_atom_id 
_struct_site_gen.label_alt_id 
_struct_site_gen.symmetry 
_struct_site_gen.details 
1  AC1 6  DG  A 6 ? DG  A 6   . ? 1_555 ? 
2  AC1 6  HOH G . ? HOH A 201 . ? 1_555 ? 
3  AC1 6  HOH G . ? HOH A 205 . ? 1_555 ? 
4  AC1 6  HOH G . ? HOH A 210 . ? 1_555 ? 
5  AC1 6  HOH G . ? HOH A 234 . ? 1_555 ? 
6  AC1 6  HOH G . ? HOH A 235 . ? 1_555 ? 
7  AC2 4  DG  B 4 ? DG  B 10  . ? 1_555 ? 
8  AC2 4  DG  B 6 ? DG  B 12  . ? 4_566 ? 
9  AC2 4  CL  E . ? CL  B 102 . ? 1_555 ? 
10 AC2 4  HOH H . ? HOH B 233 . ? 1_555 ? 
11 AC3 4  DG  B 2 ? DG  B 8   . ? 1_555 ? 
12 AC3 4  DG  B 4 ? DG  B 10  . ? 1_555 ? 
13 AC3 4  DG  B 6 ? DG  B 12  . ? 4_566 ? 
14 AC3 4  ZN  D . ? ZN  B 101 . ? 1_555 ? 
15 AC4 12 DG  A 2 ? DG  A 2   . ? 2_665 ? 
16 AC4 12 DC  A 3 ? DC  A 3   . ? 2_665 ? 
17 AC4 12 DG  A 4 ? DG  A 4   . ? 3_656 ? 
18 AC4 12 DC  A 5 ? DC  A 5   . ? 3_656 ? 
19 AC4 12 DG  A 6 ? DG  A 6   . ? 3_656 ? 
20 AC4 12 HOH G . ? HOH A 219 . ? 3_656 ? 
21 AC4 12 HOH G . ? HOH A 229 . ? 2_665 ? 
22 AC4 12 HOH G . ? HOH A 231 . ? 2_665 ? 
23 AC4 12 DC  B 3 ? DC  B 9   . ? 1_555 ? 
24 AC4 12 HOH H . ? HOH B 214 . ? 1_555 ? 
25 AC4 12 HOH H . ? HOH B 237 . ? 1_555 ? 
26 AC4 12 HOH H . ? HOH B 238 . ? 1_555 ? 
# 
_database_PDB_matrix.entry_id          4HIF 
_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]   0.000000 
_database_PDB_matrix.origx_vector[2]   0.000000 
_database_PDB_matrix.origx_vector[3]   0.000000 
# 
_atom_sites.entry_id                    4HIF 
_atom_sites.fract_transf_matrix[1][1]   0.056208 
_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]   0.032355 
_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]   0.022626 
_atom_sites.fract_transf_vector[1]      0.000000 
_atom_sites.fract_transf_vector[2]      0.000000 
_atom_sites.fract_transf_vector[3]      0.000000 
# 
loop_
_atom_type.symbol 
C  
CL 
N  
O  
P  
ZN 
# 
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 ? 19.452 17.562 17.880 1.00 12.49 ? 1   DC  A "O5'" 1 
ATOM   2   C  "C5'" . DC  A 1 1 ? 19.562 16.580 18.863 1.00 10.43 ? 1   DC  A "C5'" 1 
ATOM   3   C  "C4'" . DC  A 1 1 ? 18.302 15.846 18.949 1.00 6.36  ? 1   DC  A "C4'" 1 
ATOM   4   O  "O4'" . DC  A 1 1 ? 17.246 16.678 19.481 1.00 5.63  ? 1   DC  A "O4'" 1 
ATOM   5   C  "C3'" . DC  A 1 1 ? 17.755 15.179 17.685 1.00 7.77  ? 1   DC  A "C3'" 1 
ATOM   6   O  "O3'" A DC  A 1 1 ? 17.146 13.873 17.859 0.61 7.25  ? 1   DC  A "O3'" 1 
ATOM   7   O  "O3'" B DC  A 1 1 ? 17.479 13.842 18.129 0.39 9.42  ? 1   DC  A "O3'" 1 
ATOM   8   C  "C2'" . DC  A 1 1 ? 16.556 16.063 17.336 1.00 6.24  ? 1   DC  A "C2'" 1 
ATOM   9   C  "C1'" . DC  A 1 1 ? 16.088 16.503 18.701 1.00 5.25  ? 1   DC  A "C1'" 1 
ATOM   10  N  N1    . DC  A 1 1 ? 15.357 17.764 18.712 1.00 4.96  ? 1   DC  A N1    1 
ATOM   11  C  C2    . DC  A 1 1 ? 13.967 17.700 18.452 1.00 5.15  ? 1   DC  A C2    1 
ATOM   12  O  O2    . DC  A 1 1 ? 13.450 16.594 18.271 1.00 5.73  ? 1   DC  A O2    1 
ATOM   13  N  N3    . DC  A 1 1 ? 13.258 18.840 18.415 1.00 5.14  ? 1   DC  A N3    1 
ATOM   14  C  C4    . DC  A 1 1 ? 13.858 20.042 18.591 1.00 5.00  ? 1   DC  A C4    1 
ATOM   15  N  N4    . DC  A 1 1 ? 13.123 21.126 18.528 1.00 5.44  ? 1   DC  A N4    1 
ATOM   16  C  C5    . DC  A 1 1 ? 15.273 20.107 18.808 1.00 5.18  ? 1   DC  A C5    1 
ATOM   17  C  C6    . DC  A 1 1 ? 15.964 18.978 18.868 1.00 5.26  ? 1   DC  A C6    1 
ATOM   18  P  P     A DG  A 1 2 ? 17.948 12.462 17.777 0.61 6.60  ? 2   DG  A P     1 
ATOM   19  P  P     B DG  A 1 2 ? 18.701 12.862 17.762 0.39 5.91  ? 2   DG  A P     1 
ATOM   20  O  OP1   A DG  A 1 2 ? 18.650 12.514 16.456 0.61 7.56  ? 2   DG  A OP1   1 
ATOM   21  O  OP1   B DG  A 1 2 ? 19.732 13.092 16.707 0.39 6.45  ? 2   DG  A OP1   1 
ATOM   22  O  OP2   A DG  A 1 2 ? 17.015 11.355 18.023 0.61 8.04  ? 2   DG  A OP2   1 
ATOM   23  O  OP2   B DG  A 1 2 ? 17.831 11.652 17.651 0.39 7.38  ? 2   DG  A OP2   1 
ATOM   24  O  "O5'" A DG  A 1 2 ? 19.081 12.534 18.946 0.61 7.79  ? 2   DG  A "O5'" 1 
ATOM   25  O  "O5'" B DG  A 1 2 ? 19.477 12.822 19.192 0.39 8.23  ? 2   DG  A "O5'" 1 
ATOM   26  C  "C5'" . DG  A 1 2 ? 18.617 12.471 20.302 1.00 7.32  ? 2   DG  A "C5'" 1 
ATOM   27  C  "C4'" . DG  A 1 2 ? 19.707 12.708 21.371 1.00 7.44  ? 2   DG  A "C4'" 1 
ATOM   28  O  "O4'" . DG  A 1 2 ? 20.226 14.003 21.231 1.00 7.07  ? 2   DG  A "O4'" 1 
ATOM   29  C  "C3'" . DG  A 1 2 ? 19.095 12.607 22.720 1.00 7.64  ? 2   DG  A "C3'" 1 
ATOM   30  O  "O3'" . DG  A 1 2 ? 19.197 11.256 23.222 1.00 9.34  ? 2   DG  A "O3'" 1 
ATOM   31  C  "C2'" . DG  A 1 2 ? 19.948 13.504 23.541 1.00 7.74  ? 2   DG  A "C2'" 1 
ATOM   32  C  "C1'" . DG  A 1 2 ? 20.570 14.528 22.517 1.00 7.48  ? 2   DG  A "C1'" 1 
ATOM   33  N  N9    . DG  A 1 2 ? 20.047 15.868 22.588 1.00 7.10  ? 2   DG  A N9    1 
ATOM   34  C  C8    . DG  A 1 2 ? 20.790 17.016 22.593 1.00 8.24  ? 2   DG  A C8    1 
ATOM   35  N  N7    . DG  A 1 2 ? 20.108 18.080 22.531 1.00 8.40  ? 2   DG  A N7    1 
ATOM   36  C  C5    . DG  A 1 2 ? 18.776 17.650 22.508 1.00 6.37  ? 2   DG  A C5    1 
ATOM   37  C  C6    . DG  A 1 2 ? 17.573 18.372 22.346 1.00 6.55  ? 2   DG  A C6    1 
ATOM   38  O  O6    . DG  A 1 2 ? 17.435 19.627 22.240 1.00 7.68  ? 2   DG  A O6    1 
ATOM   39  N  N1    . DG  A 1 2 ? 16.464 17.550 22.326 1.00 5.47  ? 2   DG  A N1    1 
ATOM   40  C  C2    . DG  A 1 2 ? 16.490 16.190 22.334 1.00 5.51  ? 2   DG  A C2    1 
ATOM   41  N  N2    . DG  A 1 2 ? 15.343 15.553 22.227 1.00 6.04  ? 2   DG  A N2    1 
ATOM   42  N  N3    . DG  A 1 2 ? 17.643 15.481 22.436 1.00 5.85  ? 2   DG  A N3    1 
ATOM   43  C  C4    . DG  A 1 2 ? 18.721 16.263 22.512 1.00 6.06  ? 2   DG  A C4    1 
ATOM   44  P  P     . DC  A 1 3 ? 17.855 10.444 23.586 1.00 9.63  ? 3   DC  A P     1 
ATOM   45  O  OP1   . DC  A 1 3 ? 18.305 9.103  24.019 1.00 11.82 ? 3   DC  A OP1   1 
ATOM   46  O  OP2   . DC  A 1 3 ? 16.886 10.530 22.467 1.00 10.97 ? 3   DC  A OP2   1 
ATOM   47  O  "O5'" . DC  A 1 3 ? 17.391 11.279 24.819 1.00 13.15 ? 3   DC  A "O5'" 1 
ATOM   48  C  "C5'" . DC  A 1 3 ? 16.855 10.710 26.032 1.00 9.35  ? 3   DC  A "C5'" 1 
ATOM   49  C  "C4'" . DC  A 1 3 ? 15.573 11.411 26.507 1.00 7.52  ? 3   DC  A "C4'" 1 
ATOM   50  O  "O4'" . DC  A 1 3 ? 15.911 12.729 26.923 1.00 6.92  ? 3   DC  A "O4'" 1 
ATOM   51  C  "C3'" A DC  A 1 3 ? 14.721 11.465 25.270 0.47 5.72  ? 3   DC  A "C3'" 1 
ATOM   52  C  "C3'" B DC  A 1 3 ? 14.261 11.649 25.686 0.53 6.78  ? 3   DC  A "C3'" 1 
ATOM   53  O  "O3'" A DC  A 1 3 ? 13.462 11.250 25.866 0.47 6.98  ? 3   DC  A "O3'" 1 
ATOM   54  O  "O3'" B DC  A 1 3 ? 12.971 11.576 26.302 0.53 7.20  ? 3   DC  A "O3'" 1 
ATOM   55  C  "C2'" . DC  A 1 3 ? 14.636 12.961 25.006 1.00 9.24  ? 3   DC  A "C2'" 1 
ATOM   56  C  "C1'" . DC  A 1 3 ? 15.080 13.644 26.285 1.00 6.51  ? 3   DC  A "C1'" 1 
ATOM   57  N  N1    . DC  A 1 3 ? 15.846 14.893 26.074 1.00 5.50  ? 3   DC  A N1    1 
ATOM   58  C  C2    . DC  A 1 3 ? 15.160 16.078 25.868 1.00 5.71  ? 3   DC  A C2    1 
ATOM   59  O  O2    . DC  A 1 3 ? 13.900 16.022 25.791 1.00 6.38  ? 3   DC  A O2    1 
ATOM   60  N  N3    . DC  A 1 3 ? 15.830 17.219 25.734 1.00 5.32  ? 3   DC  A N3    1 
ATOM   61  C  C4    . DC  A 1 3 ? 17.166 17.232 25.803 1.00 5.49  ? 3   DC  A C4    1 
ATOM   62  N  N4    . DC  A 1 3 ? 17.797 18.382 25.731 1.00 6.03  ? 3   DC  A N4    1 
ATOM   63  C  C5    . DC  A 1 3 ? 17.888 15.996 25.972 1.00 6.02  ? 3   DC  A C5    1 
ATOM   64  C  C6    . DC  A 1 3 ? 17.226 14.866 26.102 1.00 5.98  ? 3   DC  A C6    1 
ATOM   65  P  P     A DG  A 1 4 ? 12.744 9.816  25.843 0.47 7.80  ? 4   DG  A P     1 
ATOM   66  P  P     B DG  A 1 4 ? 12.062 10.242 26.431 0.53 8.06  ? 4   DG  A P     1 
ATOM   67  O  OP1   A DG  A 1 4 ? 12.900 9.214  24.599 0.47 11.36 ? 4   DG  A OP1   1 
ATOM   68  O  OP1   B DG  A 1 4 ? 11.708 9.694  25.197 0.53 10.41 ? 4   DG  A OP1   1 
ATOM   69  O  OP2   A DG  A 1 4 ? 11.347 10.218 26.361 0.47 9.98  ? 4   DG  A OP2   1 
ATOM   70  O  OP2   B DG  A 1 4 ? 10.849 10.671 27.299 0.53 8.70  ? 4   DG  A OP2   1 
ATOM   71  O  "O5'" A DG  A 1 4 ? 13.489 9.062  27.047 0.47 7.58  ? 4   DG  A "O5'" 1 
ATOM   72  O  "O5'" B DG  A 1 4 ? 12.937 9.062  27.093 0.53 8.88  ? 4   DG  A "O5'" 1 
ATOM   73  C  "C5'" . DG  A 1 4 ? 13.277 9.311  28.441 1.00 7.81  ? 4   DG  A "C5'" 1 
ATOM   74  C  "C4'" . DG  A 1 4 ? 14.305 8.419  29.081 1.00 6.12  ? 4   DG  A "C4'" 1 
ATOM   75  O  "O4'" . DG  A 1 4 ? 15.612 8.772  28.584 1.00 6.33  ? 4   DG  A "O4'" 1 
ATOM   76  C  "C3'" . DG  A 1 4 ? 14.391 8.580  30.623 1.00 5.41  ? 4   DG  A "C3'" 1 
ATOM   77  O  "O3'" . DG  A 1 4 ? 13.536 7.590  31.181 1.00 5.90  ? 4   DG  A "O3'" 1 
ATOM   78  C  "C2'" . DG  A 1 4 ? 15.854 8.333  30.898 1.00 6.22  ? 4   DG  A "C2'" 1 
ATOM   79  C  "C1'" . DG  A 1 4 ? 16.578 8.688  29.615 1.00 5.58  ? 4   DG  A "C1'" 1 
ATOM   80  N  N9    . DG  A 1 4 ? 17.338 9.924  29.645 1.00 5.93  ? 4   DG  A N9    1 
ATOM   81  C  C8    . DG  A 1 4 ? 18.732 10.006 29.481 1.00 6.87  ? 4   DG  A C8    1 
ATOM   82  N  N7    . DG  A 1 4 ? 19.146 11.212 29.493 1.00 6.86  ? 4   DG  A N7    1 
ATOM   83  C  C5    . DG  A 1 4 ? 18.023 12.014 29.644 1.00 5.89  ? 4   DG  A C5    1 
ATOM   84  C  C6    . DG  A 1 4 ? 17.885 13.397 29.638 1.00 5.98  ? 4   DG  A C6    1 
ATOM   85  O  O6    . DG  A 1 4 ? 18.819 14.258 29.515 1.00 7.15  ? 4   DG  A O6    1 
ATOM   86  N  N1    . DG  A 1 4 ? 16.590 13.797 29.751 1.00 5.51  ? 4   DG  A N1    1 
ATOM   87  C  C2    . DG  A 1 4 ? 15.524 12.962 29.833 1.00 5.27  ? 4   DG  A C2    1 
ATOM   88  N  N2    . DG  A 1 4 ? 14.310 13.537 29.887 1.00 5.59  ? 4   DG  A N2    1 
ATOM   89  N  N3    . DG  A 1 4 ? 15.608 11.636 29.841 1.00 5.27  ? 4   DG  A N3    1 
ATOM   90  C  C4    . DG  A 1 4 ? 16.908 11.232 29.732 1.00 5.80  ? 4   DG  A C4    1 
ATOM   91  P  P     . DC  A 1 5 ? 13.165 7.674  32.739 1.00 6.08  ? 5   DC  A P     1 
ATOM   92  O  OP1   . DC  A 1 5 ? 14.337 8.155  33.524 1.00 7.27  ? 5   DC  A OP1   1 
ATOM   93  O  OP2   . DC  A 1 5 ? 12.531 6.385  33.124 1.00 8.10  ? 5   DC  A OP2   1 
ATOM   94  O  "O5'" . DC  A 1 5 ? 12.069 8.842  32.676 1.00 5.82  ? 5   DC  A "O5'" 1 
ATOM   95  C  "C5'" . DC  A 1 5 ? 11.344 9.154  33.875 1.00 5.65  ? 5   DC  A "C5'" 1 
ATOM   96  C  "C4'" . DC  A 1 5 ? 11.060 10.634 33.891 1.00 5.07  ? 5   DC  A "C4'" 1 
ATOM   97  O  "O4'" . DC  A 1 5 ? 12.268 11.311 34.318 1.00 5.18  ? 5   DC  A "O4'" 1 
ATOM   98  C  "C3'" . DC  A 1 5 ? 10.677 11.224 32.541 1.00 5.64  ? 5   DC  A "C3'" 1 
ATOM   99  O  "O3'" . DC  A 1 5 ? 9.579  12.118 32.674 1.00 6.10  ? 5   DC  A "O3'" 1 
ATOM   100 C  "C2'" . DC  A 1 5 ? 11.904 12.022 32.122 1.00 5.21  ? 5   DC  A "C2'" 1 
ATOM   101 C  "C1'" . DC  A 1 5 ? 12.534 12.410 33.446 1.00 5.02  ? 5   DC  A "C1'" 1 
ATOM   102 N  N1    . DC  A 1 5 ? 14.009 12.553 33.379 1.00 4.95  ? 5   DC  A N1    1 
ATOM   103 C  C2    . DC  A 1 5 ? 14.548 13.825 33.225 1.00 4.84  ? 5   DC  A C2    1 
ATOM   104 O  O2    . DC  A 1 5 ? 13.821 14.809 33.205 1.00 5.38  ? 5   DC  A O2    1 
ATOM   105 N  N3    . DC  A 1 5 ? 15.919 13.937 33.113 1.00 4.68  ? 5   DC  A N3    1 
ATOM   106 C  C4    . DC  A 1 5 ? 16.664 12.845 33.141 1.00 4.61  ? 5   DC  A C4    1 
ATOM   107 N  N4    . DC  A 1 5 ? 17.995 12.978 32.978 1.00 5.41  ? 5   DC  A N4    1 
ATOM   108 C  C5    . DC  A 1 5 ? 16.128 11.529 33.300 1.00 5.29  ? 5   DC  A C5    1 
ATOM   109 C  C6    . DC  A 1 5 ? 14.784 11.422 33.409 1.00 5.16  ? 5   DC  A C6    1 
ATOM   110 P  P     . DG  A 1 6 ? 8.074  11.576 32.502 1.00 6.56  ? 6   DG  A P     1 
ATOM   111 O  OP1   . DG  A 1 6 ? 7.974  10.549 31.397 1.00 8.17  ? 6   DG  A OP1   1 
ATOM   112 O  OP2   . DG  A 1 6 ? 7.259  12.803 32.435 1.00 8.10  ? 6   DG  A OP2   1 
ATOM   113 O  "O5'" . DG  A 1 6 ? 7.761  10.786 33.821 1.00 6.21  ? 6   DG  A "O5'" 1 
ATOM   114 C  "C5'" . DG  A 1 6 ? 7.585  11.485 35.119 1.00 6.06  ? 6   DG  A "C5'" 1 
ATOM   115 C  "C4'" . DG  A 1 6 ? 7.355  10.398 36.141 1.00 5.80  ? 6   DG  A "C4'" 1 
ATOM   116 O  "O4'" . DG  A 1 6 ? 8.577  9.603  36.210 1.00 5.58  ? 6   DG  A "O4'" 1 
ATOM   117 C  "C3'" . DG  A 1 6 ? 7.071  10.882 37.584 1.00 6.01  ? 6   DG  A "C3'" 1 
ATOM   118 O  "O3'" . DG  A 1 6 ? 6.092  10.074 38.208 1.00 6.51  ? 6   DG  A "O3'" 1 
ATOM   119 C  "C2'" . DG  A 1 6 ? 8.401  10.671 38.295 1.00 5.76  ? 6   DG  A "C2'" 1 
ATOM   120 C  "C1'" . DG  A 1 6 ? 9.003  9.488  37.569 1.00 5.45  ? 6   DG  A "C1'" 1 
ATOM   121 N  N9    . DG  A 1 6 ? 10.438 9.410  37.538 1.00 5.19  ? 6   DG  A N9    1 
ATOM   122 C  C8    . DG  A 1 6 ? 11.144 8.240  37.600 1.00 5.51  ? 6   DG  A C8    1 
ATOM   123 N  N7    . DG  A 1 6 ? 12.468 8.409  37.469 1.00 5.42  ? 6   DG  A N7    1 
ATOM   124 C  C5    . DG  A 1 6 ? 12.603 9.770  37.334 1.00 5.16  ? 6   DG  A C5    1 
ATOM   125 C  C6    . DG  A 1 6 ? 13.761 10.586 37.222 1.00 5.52  ? 6   DG  A C6    1 
ATOM   126 O  O6    . DG  A 1 6 ? 14.940 10.191 37.184 1.00 6.00  ? 6   DG  A O6    1 
ATOM   127 N  N1    . DG  A 1 6 ? 13.472 11.920 37.071 1.00 5.12  ? 6   DG  A N1    1 
ATOM   128 C  C2    . DG  A 1 6 ? 12.186 12.454 37.004 1.00 5.25  ? 6   DG  A C2    1 
ATOM   129 N  N2    . DG  A 1 6 ? 12.093 13.744 36.754 1.00 5.47  ? 6   DG  A N2    1 
ATOM   130 N  N3    . DG  A 1 6 ? 11.111 11.724 37.191 1.00 4.96  ? 6   DG  A N3    1 
ATOM   131 C  C4    . DG  A 1 6 ? 11.367 10.416 37.358 1.00 5.09  ? 6   DG  A C4    1 
ATOM   132 O  "O5'" A DC  B 1 1 ? 19.759 18.294 37.225 0.55 9.17  ? 7   DC  B "O5'" 1 
ATOM   133 O  "O5'" B DC  B 1 1 ? 19.882 20.256 36.750 0.45 9.44  ? 7   DC  B "O5'" 1 
ATOM   134 C  "C5'" . DC  B 1 1 ? 19.241 19.125 36.407 1.00 8.29  ? 7   DC  B "C5'" 1 
ATOM   135 C  "C4'" . DC  B 1 1 ? 17.754 19.141 36.242 1.00 6.27  ? 7   DC  B "C4'" 1 
ATOM   136 O  "O4'" . DC  B 1 1 ? 17.358 17.902 35.645 1.00 6.25  ? 7   DC  B "O4'" 1 
ATOM   137 C  "C3'" . DC  B 1 1 ? 16.948 19.234 37.576 1.00 6.36  ? 7   DC  B "C3'" 1 
ATOM   138 O  "O3'" . DC  B 1 1 ? 15.718 19.959 37.366 1.00 6.33  ? 7   DC  B "O3'" 1 
ATOM   139 C  "C2'" . DC  B 1 1 ? 16.596 17.779 37.860 1.00 6.20  ? 7   DC  B "C2'" 1 
ATOM   140 C  "C1'" . DC  B 1 1 ? 16.372 17.259 36.463 1.00 5.76  ? 7   DC  B "C1'" 1 
ATOM   141 N  N1    . DC  B 1 1 ? 16.627 15.826 36.346 1.00 5.80  ? 7   DC  B N1    1 
ATOM   142 C  C2    . DC  B 1 1 ? 15.518 14.937 36.569 1.00 5.33  ? 7   DC  B C2    1 
ATOM   143 O  O2    . DC  B 1 1 ? 14.410 15.436 36.715 1.00 6.20  ? 7   DC  B O2    1 
ATOM   144 N  N3    . DC  B 1 1 ? 15.749 13.628 36.630 1.00 5.34  ? 7   DC  B N3    1 
ATOM   145 C  C4    . DC  B 1 1 ? 16.987 13.120 36.480 1.00 5.36  ? 7   DC  B C4    1 
ATOM   146 N  N4    . DC  B 1 1 ? 17.171 11.826 36.574 1.00 6.23  ? 7   DC  B N4    1 
ATOM   147 C  C5    . DC  B 1 1 ? 18.119 13.992 36.233 1.00 5.96  ? 7   DC  B C5    1 
ATOM   148 C  C6    . DC  B 1 1 ? 17.875 15.284 36.217 1.00 6.12  ? 7   DC  B C6    1 
ATOM   149 P  P     . DG  B 1 2 ? 15.624 21.538 37.565 1.00 6.59  ? 8   DG  B P     1 
ATOM   150 O  OP1   . DG  B 1 2 ? 16.506 22.006 38.666 1.00 7.75  ? 8   DG  B OP1   1 
ATOM   151 O  OP2   . DG  B 1 2 ? 14.165 21.835 37.610 1.00 8.05  ? 8   DG  B OP2   1 
ATOM   152 O  "O5'" . DG  B 1 2 ? 16.258 22.146 36.254 1.00 6.07  ? 8   DG  B "O5'" 1 
ATOM   153 C  "C5'" . DG  B 1 2 ? 15.626 21.828 34.973 1.00 5.88  ? 8   DG  B "C5'" 1 
ATOM   154 C  "C4'" . DG  B 1 2 ? 16.513 22.360 33.885 1.00 5.68  ? 8   DG  B "C4'" 1 
ATOM   155 O  "O4'" . DG  B 1 2 ? 17.776 21.713 33.954 1.00 5.44  ? 8   DG  B "O4'" 1 
ATOM   156 C  "C3'" . DG  B 1 2 ? 15.980 22.060 32.492 1.00 5.50  ? 8   DG  B "C3'" 1 
ATOM   157 O  "O3'" . DG  B 1 2 ? 15.140 23.120 32.035 1.00 6.16  ? 8   DG  B "O3'" 1 
ATOM   158 C  "C2'" . DG  B 1 2 ? 17.272 21.975 31.680 1.00 5.88  ? 8   DG  B "C2'" 1 
ATOM   159 C  "C1'" . DG  B 1 2 ? 18.333 21.551 32.671 1.00 5.52  ? 8   DG  B "C1'" 1 
ATOM   160 N  N9    . DG  B 1 2 ? 18.774 20.153 32.530 1.00 5.17  ? 8   DG  B N9    1 
ATOM   161 C  C8    . DG  B 1 2 ? 20.097 19.758 32.504 1.00 6.10  ? 8   DG  B C8    1 
ATOM   162 N  N7    . DG  B 1 2 ? 20.236 18.458 32.530 1.00 6.04  ? 8   DG  B N7    1 
ATOM   163 C  C5    . DG  B 1 2 ? 18.906 17.981 32.621 1.00 4.97  ? 8   DG  B C5    1 
ATOM   164 C  C6    . DG  B 1 2 ? 18.445 16.637 32.736 1.00 5.02  ? 8   DG  B C6    1 
ATOM   165 O  O6    . DG  B 1 2 ? 19.095 15.608 32.733 1.00 5.91  ? 8   DG  B O6    1 
ATOM   166 N  N1    . DG  B 1 2 ? 17.054 16.601 32.791 1.00 4.74  ? 8   DG  B N1    1 
ATOM   167 C  C2    . DG  B 1 2 ? 16.259 17.700 32.828 1.00 4.67  ? 8   DG  B C2    1 
ATOM   168 N  N2    . DG  B 1 2 ? 14.926 17.474 32.993 1.00 5.42  ? 8   DG  B N2    1 
ATOM   169 N  N3    . DG  B 1 2 ? 16.684 18.956 32.734 1.00 4.91  ? 8   DG  B N3    1 
ATOM   170 C  C4    . DG  B 1 2 ? 18.037 19.001 32.623 1.00 4.84  ? 8   DG  B C4    1 
ATOM   171 P  P     . DC  B 1 3 ? 13.575 22.901 31.855 1.00 5.93  ? 9   DC  B P     1 
ATOM   172 O  OP1   . DC  B 1 3 ? 13.001 24.234 31.582 1.00 6.79  ? 9   DC  B OP1   1 
ATOM   173 O  OP2   . DC  B 1 3 ? 13.043 22.164 33.037 1.00 7.20  ? 9   DC  B OP2   1 
ATOM   174 O  "O5'" . DC  B 1 3 ? 13.490 21.958 30.574 1.00 7.08  ? 9   DC  B "O5'" 1 
ATOM   175 C  "C5'" . DC  B 1 3 ? 12.730 22.240 29.410 1.00 5.99  ? 9   DC  B "C5'" 1 
ATOM   176 C  "C4'" . DC  B 1 3 ? 12.153 20.972 28.850 1.00 5.69  ? 9   DC  B "C4'" 1 
ATOM   177 O  "O4'" . DC  B 1 3 ? 13.226 20.171 28.295 1.00 6.35  ? 9   DC  B "O4'" 1 
ATOM   178 C  "C3'" . DC  B 1 3 ? 11.470 20.093 29.853 1.00 6.00  ? 9   DC  B "C3'" 1 
ATOM   179 O  "O3'" . DC  B 1 3 ? 10.379 19.375 29.238 1.00 6.69  ? 9   DC  B "O3'" 1 
ATOM   180 C  "C2'" . DC  B 1 3 ? 12.497 19.051 30.242 1.00 6.20  ? 9   DC  B "C2'" 1 
ATOM   181 C  "C1'" . DC  B 1 3 ? 13.249 18.899 28.933 1.00 5.82  ? 9   DC  B "C1'" 1 
ATOM   182 N  N1    . DC  B 1 3 ? 14.648 18.480 29.071 1.00 5.72  ? 9   DC  B N1    1 
ATOM   183 C  C2    . DC  B 1 3 ? 14.900 17.124 29.239 1.00 5.76  ? 9   DC  B C2    1 
ATOM   184 O  O2    . DC  B 1 3 ? 13.944 16.339 29.340 1.00 6.28  ? 9   DC  B O2    1 
ATOM   185 N  N3    . DC  B 1 3 ? 16.199 16.698 29.371 1.00 5.58  ? 9   DC  B N3    1 
ATOM   186 C  C4    . DC  B 1 3 ? 17.187 17.599 29.272 1.00 5.73  ? 9   DC  B C4    1 
ATOM   187 N  N4    . DC  B 1 3 ? 18.439 17.102 29.315 1.00 6.85  ? 9   DC  B N4    1 
ATOM   188 C  C5    . DC  B 1 3 ? 16.939 18.964 29.103 1.00 6.29  ? 9   DC  B C5    1 
ATOM   189 C  C6    . DC  B 1 3 ? 15.682 19.393 28.997 1.00 5.98  ? 9   DC  B C6    1 
ATOM   190 P  P     . DG  B 1 4 ? 8.859  19.850 29.221 1.00 6.56  ? 10  DG  B P     1 
ATOM   191 O  OP1   . DG  B 1 4 ? 8.461  20.440 30.542 1.00 8.81  ? 10  DG  B OP1   1 
ATOM   192 O  OP2   . DG  B 1 4 ? 8.124  18.686 28.673 1.00 8.38  ? 10  DG  B OP2   1 
ATOM   193 O  "O5'" . DG  B 1 4 ? 8.780  21.057 28.208 1.00 5.61  ? 10  DG  B "O5'" 1 
ATOM   194 C  "C5'" . DG  B 1 4 ? 8.962  20.818 26.803 1.00 5.53  ? 10  DG  B "C5'" 1 
ATOM   195 C  "C4'" . DG  B 1 4 ? 9.036  22.148 26.087 1.00 5.28  ? 10  DG  B "C4'" 1 
ATOM   196 O  "O4'" . DG  B 1 4 ? 10.195 22.852 26.591 1.00 5.29  ? 10  DG  B "O4'" 1 
ATOM   197 C  "C3'" . DG  B 1 4 ? 9.194  22.054 24.600 1.00 5.36  ? 10  DG  B "C3'" 1 
ATOM   198 O  "O3'" . DG  B 1 4 ? 7.892  22.218 24.009 1.00 5.94  ? 10  DG  B "O3'" 1 
ATOM   199 C  "C2'" . DG  B 1 4 ? 10.162 23.175 24.237 1.00 5.61  ? 10  DG  B "C2'" 1 
ATOM   200 C  "C1'" . DG  B 1 4 ? 10.875 23.496 25.541 1.00 5.36  ? 10  DG  B "C1'" 1 
ATOM   201 N  N9    . DG  B 1 4 ? 12.278 23.072 25.567 1.00 5.09  ? 10  DG  B N9    1 
ATOM   202 C  C8    . DG  B 1 4 ? 13.312 23.924 25.767 1.00 5.27  ? 10  DG  B C8    1 
ATOM   203 N  N7    . DG  B 1 4 ? 14.484 23.305 25.797 1.00 5.23  ? 10  DG  B N7    1 
ATOM   204 C  C5    . DG  B 1 4 ? 14.162 21.962 25.633 1.00 4.84  ? 10  DG  B C5    1 
ATOM   205 C  C6    . DG  B 1 4 ? 14.995 20.809 25.591 1.00 4.75  ? 10  DG  B C6    1 
ATOM   206 O  O6    . DG  B 1 4 ? 16.243 20.800 25.680 1.00 5.61  ? 10  DG  B O6    1 
ATOM   207 N  N1    . DG  B 1 4 ? 14.282 19.649 25.441 1.00 4.72  ? 10  DG  B N1    1 
ATOM   208 C  C2    . DG  B 1 4 ? 12.882 19.601 25.334 1.00 4.77  ? 10  DG  B C2    1 
ATOM   209 N  N2    . DG  B 1 4 ? 12.357 18.368 25.275 1.00 5.18  ? 10  DG  B N2    1 
ATOM   210 N  N3    . DG  B 1 4 ? 12.113 20.659 25.329 1.00 4.81  ? 10  DG  B N3    1 
ATOM   211 C  C4    . DG  B 1 4 ? 12.803 21.803 25.486 1.00 4.83  ? 10  DG  B C4    1 
ATOM   212 P  P     . DC  B 1 5 ? 7.589  21.910 22.494 1.00 5.70  ? 11  DC  B P     1 
ATOM   213 O  OP1   . DC  B 1 5 ? 8.650  22.500 21.627 1.00 6.19  ? 11  DC  B OP1   1 
ATOM   214 O  OP2   . DC  B 1 5 ? 6.175  22.345 22.272 1.00 6.57  ? 11  DC  B OP2   1 
ATOM   215 O  "O5'" . DC  B 1 5 ? 7.712  20.330 22.479 1.00 6.23  ? 11  DC  B "O5'" 1 
ATOM   216 C  "C5'" . DC  B 1 5 ? 7.278  19.575 21.341 1.00 5.95  ? 11  DC  B "C5'" 1 
ATOM   217 C  "C4'" . DC  B 1 5 ? 8.094  18.329 21.209 1.00 6.22  ? 11  DC  B "C4'" 1 
ATOM   218 O  "O4'" . DC  B 1 5 ? 9.418  18.708 20.756 1.00 6.23  ? 11  DC  B "O4'" 1 
ATOM   219 C  "C3'" . DC  B 1 5 ? 8.273  17.541 22.501 1.00 6.46  ? 11  DC  B "C3'" 1 
ATOM   220 O  "O3'" . DC  B 1 5 ? 8.191  16.127 22.258 1.00 8.18  ? 11  DC  B "O3'" 1 
ATOM   221 C  "C2'" . DC  B 1 5 ? 9.694  17.832 22.899 1.00 5.99  ? 11  DC  B "C2'" 1 
ATOM   222 C  "C1'" . DC  B 1 5 ? 10.410 18.051 21.562 1.00 5.72  ? 11  DC  B "C1'" 1 
ATOM   223 N  N1    . DC  B 1 5 ? 11.579 18.909 21.640 1.00 5.20  ? 11  DC  B N1    1 
ATOM   224 C  C2    . DC  B 1 5 ? 12.834 18.279 21.799 1.00 5.23  ? 11  DC  B C2    1 
ATOM   225 O  O2    . DC  B 1 5 ? 12.899 17.048 21.798 1.00 6.00  ? 11  DC  B O2    1 
ATOM   226 N  N3    . DC  B 1 5 ? 13.926 19.039 21.971 1.00 5.18  ? 11  DC  B N3    1 
ATOM   227 C  C4    . DC  B 1 5 ? 13.818 20.387 22.012 1.00 4.82  ? 11  DC  B C4    1 
ATOM   228 N  N4    . DC  B 1 5 ? 14.917 21.099 22.196 1.00 5.47  ? 11  DC  B N4    1 
ATOM   229 C  C5    . DC  B 1 5 ? 12.571 21.026 21.853 1.00 5.20  ? 11  DC  B C5    1 
ATOM   230 C  C6    . DC  B 1 5 ? 11.472 20.248 21.681 1.00 5.38  ? 11  DC  B C6    1 
ATOM   231 P  P     . DG  B 1 6 ? 6.827  15.320 22.507 1.00 9.47  ? 12  DG  B P     1 
ATOM   232 O  OP1   . DG  B 1 6 ? 6.022  15.935 23.674 1.00 10.37 ? 12  DG  B OP1   1 
ATOM   233 O  OP2   . DG  B 1 6 ? 7.220  13.899 22.505 1.00 15.17 ? 12  DG  B OP2   1 
ATOM   234 O  "O5'" . DG  B 1 6 ? 5.970  15.601 21.205 1.00 7.42  ? 12  DG  B "O5'" 1 
ATOM   235 C  "C5'" . DG  B 1 6 ? 6.320  15.062 19.974 1.00 9.08  ? 12  DG  B "C5'" 1 
ATOM   236 C  "C4'" . DG  B 1 6 ? 5.338  15.447 18.896 1.00 7.95  ? 12  DG  B "C4'" 1 
ATOM   237 O  "O4'" . DG  B 1 6 ? 5.272  16.863 18.778 1.00 7.23  ? 12  DG  B "O4'" 1 
ATOM   238 C  "C3'" A DG  B 1 6 ? 5.037  14.922 17.508 0.38 6.56  ? 12  DG  B "C3'" 1 
ATOM   239 C  "C3'" B DG  B 1 6 ? 6.001  14.921 17.606 0.62 7.54  ? 12  DG  B "C3'" 1 
ATOM   240 O  "O3'" A DG  B 1 6 ? 3.764  15.000 16.836 0.38 6.94  ? 12  DG  B "O3'" 1 
ATOM   241 O  "O3'" B DG  B 1 6 ? 5.496  13.658 17.230 0.62 9.41  ? 12  DG  B "O3'" 1 
ATOM   242 C  "C2'" . DG  B 1 6 ? 5.781  15.980 16.639 1.00 6.36  ? 12  DG  B "C2'" 1 
ATOM   243 C  "C1'" . DG  B 1 6 ? 5.488  17.227 17.387 1.00 6.20  ? 12  DG  B "C1'" 1 
ATOM   244 N  N9    . DG  B 1 6 ? 6.490  18.287 17.362 1.00 5.46  ? 12  DG  B N9    1 
ATOM   245 C  C8    . DG  B 1 6 ? 6.211  19.633 17.330 1.00 5.58  ? 12  DG  B C8    1 
ATOM   246 N  N7    . DG  B 1 6 ? 7.279  20.385 17.490 1.00 5.18  ? 12  DG  B N7    1 
ATOM   247 C  C5    . DG  B 1 6 ? 8.329  19.474 17.673 1.00 4.99  ? 12  DG  B C5    1 
ATOM   248 C  C6    . DG  B 1 6 ? 9.722  19.675 17.832 1.00 4.73  ? 12  DG  B C6    1 
ATOM   249 O  O6    . DG  B 1 6 ? 10.323 20.770 17.940 1.00 5.37  ? 12  DG  B O6    1 
ATOM   250 N  N1    . DG  B 1 6 ? 10.423 18.492 17.903 1.00 4.94  ? 12  DG  B N1    1 
ATOM   251 C  C2    . DG  B 1 6 ? 9.848  17.252 17.902 1.00 5.02  ? 12  DG  B C2    1 
ATOM   252 N  N2    . DG  B 1 6 ? 10.663 16.208 18.091 1.00 6.01  ? 12  DG  B N2    1 
ATOM   253 N  N3    . DG  B 1 6 ? 8.528  17.032 17.756 1.00 5.05  ? 12  DG  B N3    1 
ATOM   254 C  C4    . DG  B 1 6 ? 7.861  18.174 17.600 1.00 5.13  ? 12  DG  B C4    1 
HETATM 255 ZN ZN    . ZN  C 2 . ? 13.795 6.769  37.368 1.00 6.69  ? 101 ZN  A ZN    1 
HETATM 256 ZN ZN    . ZN  D 2 . ? 16.232 23.955 26.493 1.00 5.17  ? 101 ZN  B ZN    1 
HETATM 257 CL CL    . CL  E 3 . ? 16.838 22.953 28.367 1.00 7.00  ? 102 CL  B CL    1 
HETATM 258 N  N1    . SPK F 4 . ? 10.672 23.301 34.004 0.83 6.39  ? 103 SPK B N1    1 
HETATM 259 C  C2    . SPK F 4 . ? 9.970  22.358 34.937 1.00 8.93  ? 103 SPK B C2    1 
HETATM 260 C  C3    . SPK F 4 . ? 8.471  22.631 34.848 0.82 12.47 ? 103 SPK B C3    1 
HETATM 261 C  C4    . SPK F 4 . ? 7.614  21.512 35.544 0.89 17.14 ? 103 SPK B C4    1 
HETATM 262 N  N5    . SPK F 4 . ? 7.812  21.952 36.921 0.60 10.59 ? 103 SPK B N5    1 
HETATM 263 C  C6    . SPK F 4 . ? 6.713  21.319 37.704 0.40 8.24  ? 103 SPK B C6    1 
HETATM 264 C  C7    . SPK F 4 . ? 6.772  21.657 39.176 0.22 5.58  ? 103 SPK B C7    1 
HETATM 265 C  C8    . SPK F 4 . ? 8.146  21.338 39.756 0.00 15.38 ? 103 SPK B C8    1 
HETATM 266 C  C9    . SPK F 4 . ? 8.341  22.131 41.041 0.34 20.69 ? 103 SPK B C9    1 
HETATM 267 N  N10   . SPK F 4 . ? 9.497  21.693 41.828 0.51 18.56 ? 103 SPK B N10   1 
HETATM 268 C  C11   . SPK F 4 . ? 9.910  22.636 42.872 0.79 26.40 ? 103 SPK B C11   1 
HETATM 269 C  C12   . SPK F 4 . ? 8.704  23.158 43.693 0.19 34.25 ? 103 SPK B C12   1 
HETATM 270 C  C13   . SPK F 4 . ? 9.020  24.364 44.579 1.00 39.56 ? 103 SPK B C13   1 
HETATM 271 N  N14   . SPK F 4 . ? 9.162  25.522 43.675 0.76 17.53 ? 103 SPK B N14   1 
HETATM 272 O  O     . HOH G 5 . ? 15.010 7.649  38.861 1.00 6.78  ? 201 HOH A O     1 
HETATM 273 O  O     . HOH G 5 . ? 20.137 13.511 27.042 1.00 15.15 ? 202 HOH A O     1 
HETATM 274 O  O     . HOH G 5 . ? 10.784 18.005 33.639 0.75 8.79  ? 203 HOH A O     1 
HETATM 275 O  O     . HOH G 5 . ? 15.244 12.543 21.586 0.87 8.68  ? 204 HOH A O     1 
HETATM 276 O  O     . HOH G 5 . ? 15.027 7.715  35.959 1.00 7.14  ? 205 HOH A O     1 
HETATM 277 O  O     . HOH G 5 . ? 8.660  15.001 33.374 0.61 7.19  ? 206 HOH A O     1 
HETATM 278 O  O     . HOH G 5 . ? 4.038  10.579 36.488 1.00 7.88  ? 207 HOH A O     1 
HETATM 279 O  O     A HOH G 5 . ? 11.286 15.662 32.460 0.71 9.71  ? 208 HOH A O     1 
HETATM 280 O  O     B HOH G 5 . ? 12.091 15.755 31.532 0.29 11.05 ? 208 HOH A O     1 
HETATM 281 O  O     . HOH G 5 . ? 13.519 13.859 17.871 0.75 8.28  ? 209 HOH A O     1 
HETATM 282 O  O     . HOH G 5 . ? 12.615 5.800  35.868 1.00 9.50  ? 210 HOH A O     1 
HETATM 283 O  O     . HOH G 5 . ? 12.547 12.539 21.977 1.00 21.18 ? 211 HOH A O     1 
HETATM 284 O  O     . HOH G 5 . ? 4.650  12.829 32.864 0.64 9.97  ? 212 HOH A O     1 
HETATM 285 O  O     . HOH G 5 . ? 11.572 12.690 28.863 1.00 13.47 ? 213 HOH A O     1 
HETATM 286 O  O     . HOH G 5 . ? 20.676 18.162 26.168 1.00 17.36 ? 214 HOH A O     1 
HETATM 287 O  O     . HOH G 5 . ? 19.878 8.700  26.106 1.00 17.99 ? 215 HOH A O     1 
HETATM 288 O  O     . HOH G 5 . ? 14.979 11.872 18.928 0.88 14.77 ? 216 HOH A O     1 
HETATM 289 O  O     . HOH G 5 . ? 21.111 10.930 26.668 0.57 13.99 ? 217 HOH A O     1 
HETATM 290 O  O     . HOH G 5 . ? 11.652 15.322 27.649 1.00 19.08 ? 218 HOH A O     1 
HETATM 291 O  O     . HOH G 5 . ? 9.693  9.299  29.316 0.50 9.20  ? 219 HOH A O     1 
HETATM 292 O  O     . HOH G 5 . ? 21.508 20.039 24.495 1.00 35.79 ? 220 HOH A O     1 
HETATM 293 O  O     . HOH G 5 . ? 13.367 4.583  30.987 0.20 4.94  ? 221 HOH A O     1 
HETATM 294 O  O     . HOH G 5 . ? 16.554 13.594 14.273 1.00 16.04 ? 222 HOH A O     1 
HETATM 295 O  O     . HOH G 5 . ? 15.190 7.485  25.202 0.38 12.81 ? 223 HOH A O     1 
HETATM 296 O  O     . HOH G 5 . ? 20.883 13.833 15.851 0.44 6.49  ? 224 HOH A O     1 
HETATM 297 O  O     . HOH G 5 . ? 19.063 19.716 19.515 0.45 6.87  ? 225 HOH A O     1 
HETATM 298 O  O     . HOH G 5 . ? 22.353 17.661 13.726 1.00 11.87 ? 226 HOH A O     1 
HETATM 299 O  O     . HOH G 5 . ? 21.841 13.494 13.326 0.64 18.96 ? 227 HOH A O     1 
HETATM 300 O  O     . HOH G 5 . ? 23.561 15.402 12.742 0.64 12.70 ? 228 HOH A O     1 
HETATM 301 O  O     . HOH G 5 . ? 16.453 9.974  15.731 0.55 9.25  ? 229 HOH A O     1 
HETATM 302 O  O     . HOH G 5 . ? 6.918  17.084 33.157 1.00 30.24 ? 230 HOH A O     1 
HETATM 303 O  O     . HOH G 5 . ? 16.978 11.252 15.008 0.33 9.27  ? 231 HOH A O     1 
HETATM 304 O  O     . HOH G 5 . ? 21.191 11.707 29.013 1.00 11.71 ? 232 HOH A O     1 
HETATM 305 O  O     . HOH G 5 . ? 21.396 14.536 30.802 1.00 38.06 ? 233 HOH A O     1 
HETATM 306 O  O     . HOH G 5 . ? 12.569 5.868  38.830 1.00 7.37  ? 234 HOH A O     1 
HETATM 307 O  O     . HOH G 5 . ? 15.088 5.097  37.396 1.00 11.89 ? 235 HOH A O     1 
HETATM 308 O  O     . HOH G 5 . ? 10.490 15.163 25.419 0.57 23.53 ? 236 HOH A O     1 
HETATM 309 O  O     . HOH H 5 . ? 12.942 19.594 33.840 1.00 6.47  ? 201 HOH B O     1 
HETATM 310 O  O     . HOH H 5 . ? 12.483 19.970 36.549 1.00 7.43  ? 202 HOH B O     1 
HETATM 311 O  O     . HOH H 5 . ? 19.230 10.017 36.067 0.80 5.96  ? 203 HOH B O     1 
HETATM 312 O  O     . HOH H 5 . ? 16.375 25.865 33.088 1.00 7.43  ? 204 HOH B O     1 
HETATM 313 O  O     . HOH H 5 . ? 10.324 24.818 21.206 1.00 8.68  ? 205 HOH B O     1 
HETATM 314 O  O     . HOH H 5 . ? 19.064 21.211 26.247 1.00 13.25 ? 206 HOH B O     1 
HETATM 315 O  O     . HOH H 5 . ? 5.787  18.673 27.467 1.00 10.87 ? 207 HOH B O     1 
HETATM 316 O  O     . HOH H 5 . ? 12.687 17.394 37.422 1.00 8.51  ? 208 HOH B O     1 
HETATM 317 O  O     . HOH H 5 . ? 19.188 21.629 39.244 0.78 14.02 ? 209 HOH B O     1 
HETATM 318 O  O     . HOH H 5 . ? 2.347  16.485 15.089 1.00 10.96 ? 210 HOH B O     1 
HETATM 319 O  O     . HOH H 5 . ? 3.772  21.366 21.311 0.79 6.58  ? 211 HOH B O     1 
HETATM 320 O  O     . HOH H 5 . ? 3.443  18.085 28.951 1.00 16.71 ? 212 HOH B O     1 
HETATM 321 O  O     . HOH H 5 . ? 13.691 25.557 33.924 1.00 11.64 ? 213 HOH B O     1 
HETATM 322 O  O     . HOH H 5 . ? 9.494  22.754 31.557 0.82 6.88  ? 214 HOH B O     1 
HETATM 323 O  O     . HOH H 5 . ? 4.926  22.419 24.966 1.00 9.30  ? 215 HOH B O     1 
HETATM 324 O  O     . HOH H 5 . ? -0.235 16.101 14.027 0.76 7.27  ? 216 HOH B O     1 
HETATM 325 O  O     . HOH H 5 . ? 9.603  17.425 26.251 1.00 13.33 ? 217 HOH B O     1 
HETATM 326 O  O     . HOH H 5 . ? 8.502  19.374 33.034 0.76 12.75 ? 218 HOH B O     1 
HETATM 327 O  O     . HOH H 5 . ? 11.736 12.477 19.210 0.51 11.44 ? 219 HOH B O     1 
HETATM 328 O  O     . HOH H 5 . ? 9.553  13.266 21.709 0.55 9.94  ? 220 HOH B O     1 
HETATM 329 O  O     A HOH H 5 . ? 9.375  13.522 19.040 0.70 10.22 ? 221 HOH B O     1 
HETATM 330 O  O     B HOH H 5 . ? 10.741 13.467 19.039 0.30 12.15 ? 221 HOH B O     1 
HETATM 331 O  O     A HOH H 5 . ? 3.898  15.421 25.752 0.69 17.26 ? 222 HOH B O     1 
HETATM 332 O  O     B HOH H 5 . ? 3.644  15.833 26.942 0.31 12.34 ? 222 HOH B O     1 
HETATM 333 O  O     . HOH H 5 . ? 6.201  18.001 25.067 1.00 43.36 ? 223 HOH B O     1 
HETATM 334 O  O     . HOH H 5 . ? 7.582  14.018 27.542 1.00 39.13 ? 224 HOH B O     1 
HETATM 335 O  O     . HOH H 5 . ? 7.261  11.929 18.243 1.00 17.36 ? 225 HOH B O     1 
HETATM 336 O  O     . HOH H 5 . ? 4.513  16.849 31.707 1.00 33.48 ? 226 HOH B O     1 
HETATM 337 O  O     . HOH H 5 . ? 12.861 26.964 24.749 1.00 9.46  ? 227 HOH B O     1 
HETATM 338 O  O     . HOH H 5 . ? 12.801 23.985 36.239 0.62 10.04 ? 228 HOH B O     1 
HETATM 339 O  O     . HOH H 5 . ? 5.366  11.965 22.048 0.59 15.73 ? 229 HOH B O     1 
HETATM 340 O  O     . HOH H 5 . ? 11.828 14.908 23.160 0.95 20.07 ? 230 HOH B O     1 
HETATM 341 O  O     . HOH H 5 . ? 12.700 21.578 39.936 1.00 29.57 ? 231 HOH B O     1 
HETATM 342 O  O     . HOH H 5 . ? 11.069 15.290 29.852 0.57 18.72 ? 232 HOH B O     1 
HETATM 343 O  O     . HOH H 5 . ? 17.628 23.773 25.152 1.00 6.14  ? 233 HOH B O     1 
HETATM 344 O  O     . HOH H 5 . ? 10.746 10.151 19.131 0.45 19.98 ? 234 HOH B O     1 
HETATM 345 O  O     . HOH H 5 . ? 8.975  16.198 28.847 0.67 28.73 ? 235 HOH B O     1 
HETATM 346 O  O     . HOH H 5 . ? 5.641  14.288 25.544 0.35 15.30 ? 236 HOH B O     1 
HETATM 347 O  O     A HOH H 5 . ? 5.565  21.353 41.571 0.81 37.75 ? 237 HOH B O     1 
HETATM 348 O  O     B HOH H 5 . ? 5.087  22.595 41.820 0.19 7.78  ? 237 HOH B O     1 
HETATM 349 O  O     . HOH H 5 . ? 7.082  26.383 43.264 0.31 14.93 ? 238 HOH B O     1 
HETATM 350 O  O     . HOH H 5 . ? 5.630  18.711 30.121 1.00 30.00 ? 239 HOH B O     1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1   O  "O5'" . DC  A 1 ? 0.1111 0.2248 0.1387 -0.0695 -0.0441 0.0929  1   DC  A "O5'" 
2   C  "C5'" . DC  A 1 ? 0.0716 0.2157 0.1090 -0.0046 -0.0046 0.0717  1   DC  A "C5'" 
3   C  "C4'" . DC  A 1 ? 0.0742 0.0997 0.0679 0.0295  0.0019  0.0079  1   DC  A "C4'" 
4   O  "O4'" . DC  A 1 ? 0.0662 0.0796 0.0680 0.0122  -0.0086 -0.0056 1   DC  A "O4'" 
5   C  "C3'" . DC  A 1 ? 0.1129 0.1261 0.0561 0.0529  0.0106  0.0158  1   DC  A "C3'" 
6   O  "O3'" A DC  A 1 ? 0.1515 0.0612 0.0626 0.0453  -0.0515 0.0023  1   DC  A "O3'" 
7   O  "O3'" B DC  A 1 ? 0.1631 0.1588 0.0359 0.0897  -0.0652 -0.0125 1   DC  A "O3'" 
8   C  "C2'" . DC  A 1 ? 0.0916 0.0885 0.0572 0.0254  -0.0086 -0.0005 1   DC  A "C2'" 
9   C  "C1'" . DC  A 1 ? 0.0564 0.0757 0.0672 0.0053  -0.0041 0.0016  1   DC  A "C1'" 
10  N  N1    . DC  A 1 ? 0.0519 0.0728 0.0639 0.0077  -0.0009 0.0059  1   DC  A N1    
11  C  C2    . DC  A 1 ? 0.0628 0.0740 0.0590 -0.0030 0.0004  -0.0027 1   DC  A C2    
12  O  O2    . DC  A 1 ? 0.0586 0.0690 0.0902 0.0067  -0.0048 -0.0070 1   DC  A O2    
13  N  N3    . DC  A 1 ? 0.0665 0.0750 0.0537 0.0113  0.0041  -0.0012 1   DC  A N3    
14  C  C4    . DC  A 1 ? 0.0637 0.0669 0.0593 -0.0027 0.0019  0.0002  1   DC  A C4    
15  N  N4    . DC  A 1 ? 0.0645 0.0686 0.0738 -0.0009 0.0026  -0.0006 1   DC  A N4    
16  C  C5    . DC  A 1 ? 0.0595 0.0744 0.0630 -0.0057 0.0015  0.0045  1   DC  A C5    
17  C  C6    . DC  A 1 ? 0.0605 0.0739 0.0654 -0.0001 0.0023  0.0086  1   DC  A C6    
18  P  P     A DG  A 2 ? 0.1025 0.0636 0.0846 0.0062  -0.0132 -0.0121 2   DG  A P     
19  P  P     B DG  A 2 ? 0.0751 0.0650 0.0845 0.0023  -0.0115 -0.0036 2   DG  A P     
20  O  OP1   A DG  A 2 ? 0.1237 0.0842 0.0794 0.0013  0.0231  -0.0202 2   DG  A OP1   
21  O  OP1   B DG  A 2 ? 0.0791 0.0651 0.1008 -0.0035 -0.0010 -0.0116 2   DG  A OP1   
22  O  OP2   A DG  A 2 ? 0.1432 0.0672 0.0953 -0.0088 -0.0404 0.0028  2   DG  A OP2   
23  O  OP2   B DG  A 2 ? 0.0926 0.0583 0.1295 0.0003  0.0136  -0.0357 2   DG  A OP2   
24  O  "O5'" A DG  A 2 ? 0.1232 0.0715 0.1014 0.0325  -0.0189 -0.0053 2   DG  A "O5'" 
25  O  "O5'" B DG  A 2 ? 0.1283 0.1239 0.0605 -0.0045 0.0395  -0.0098 2   DG  A "O5'" 
26  C  "C5'" . DG  A 2 ? 0.1013 0.0896 0.0873 0.0252  0.0068  0.0088  2   DG  A "C5'" 
27  C  "C4'" . DG  A 2 ? 0.1064 0.0902 0.0862 0.0326  -0.0115 0.0010  2   DG  A "C4'" 
28  O  "O4'" . DG  A 2 ? 0.0863 0.0864 0.0959 0.0138  0.0063  -0.0083 2   DG  A "O4'" 
29  C  "C3'" . DG  A 2 ? 0.1171 0.0811 0.0922 0.0229  -0.0105 0.0097  2   DG  A "C3'" 
30  O  "O3'" . DG  A 2 ? 0.1438 0.0894 0.1218 0.0116  -0.0263 0.0341  2   DG  A "O3'" 
31  C  "C2'" . DG  A 2 ? 0.1090 0.0913 0.0940 0.0293  -0.0257 0.0010  2   DG  A "C2'" 
32  C  "C1'" . DG  A 2 ? 0.0792 0.1003 0.1046 0.0200  -0.0060 -0.0088 2   DG  A "C1'" 
33  N  N9    . DG  A 2 ? 0.0822 0.0863 0.1011 0.0248  -0.0130 -0.0065 2   DG  A N9    
34  C  C8    . DG  A 2 ? 0.0797 0.0910 0.1425 0.0002  -0.0093 -0.0169 2   DG  A C8    
35  N  N7    . DG  A 2 ? 0.0704 0.0945 0.1543 0.0130  -0.0117 -0.0155 2   DG  A N7    
36  C  C5    . DG  A 2 ? 0.0716 0.0794 0.0910 0.0027  -0.0032 -0.0060 2   DG  A C5    
37  C  C6    . DG  A 2 ? 0.0717 0.0745 0.1028 0.0139  -0.0041 -0.0026 2   DG  A C6    
38  O  O6    . DG  A 2 ? 0.0755 0.0798 0.1366 0.0027  -0.0054 -0.0065 2   DG  A O6    
39  N  N1    . DG  A 2 ? 0.0655 0.0730 0.0693 0.0107  0.0084  -0.0042 2   DG  A N1    
40  C  C2    . DG  A 2 ? 0.0767 0.0771 0.0557 0.0139  0.0087  0.0115  2   DG  A C2    
41  N  N2    . DG  A 2 ? 0.0706 0.0688 0.0900 0.0065  0.0098  0.0110  2   DG  A N2    
42  N  N3    . DG  A 2 ? 0.0827 0.0798 0.0599 0.0268  -0.0008 0.0032  2   DG  A N3    
43  C  C4    . DG  A 2 ? 0.0706 0.0893 0.0703 0.0130  -0.0029 -0.0001 2   DG  A C4    
44  P  P     . DC  A 3 ? 0.1938 0.0842 0.0879 0.0192  0.0010  0.0164  3   DC  A P     
45  O  OP1   . DC  A 3 ? 0.2582 0.0811 0.1099 0.0232  -0.0056 0.0122  3   DC  A OP1   
46  O  OP2   . DC  A 3 ? 0.1607 0.1282 0.1277 -0.0111 -0.0322 0.0354  3   DC  A OP2   
47  O  "O5'" . DC  A 3 ? 0.3140 0.0758 0.1098 0.0168  0.0736  0.0249  3   DC  A "O5'" 
48  C  "C5'" . DC  A 3 ? 0.2113 0.0638 0.0799 -0.0029 0.0205  0.0198  3   DC  A "C5'" 
49  C  "C4'" . DC  A 3 ? 0.1540 0.0606 0.0710 -0.0102 -0.0213 0.0130  3   DC  A "C4'" 
50  O  "O4'" . DC  A 3 ? 0.1234 0.0647 0.0749 -0.0067 -0.0163 0.0188  3   DC  A "O4'" 
51  C  "C3'" A DC  A 3 ? 0.1241 0.0653 0.0281 -0.0192 0.0224  -0.0073 3   DC  A "C3'" 
52  C  "C3'" B DC  A 3 ? 0.1506 0.0831 0.0240 0.0084  0.0090  0.0022  3   DC  A "C3'" 
53  O  "O3'" A DC  A 3 ? 0.0922 0.0783 0.0948 -0.0002 -0.0184 0.0153  3   DC  A "O3'" 
54  O  "O3'" B DC  A 3 ? 0.1113 0.0721 0.0901 -0.0143 -0.0284 0.0005  3   DC  A "O3'" 
55  C  "C2'" . DC  A 3 ? 0.1922 0.0638 0.0950 -0.0336 -0.0553 0.0112  3   DC  A "C2'" 
56  C  "C1'" . DC  A 3 ? 0.1217 0.0559 0.0698 -0.0161 -0.0054 0.0142  3   DC  A "C1'" 
57  N  N1    . DC  A 3 ? 0.0875 0.0645 0.0569 -0.0059 -0.0005 -0.0005 3   DC  A N1    
58  C  C2    . DC  A 3 ? 0.0928 0.0621 0.0620 -0.0127 0.0044  0.0037  3   DC  A C2    
59  O  O2    . DC  A 3 ? 0.0858 0.0596 0.0969 -0.0081 0.0079  0.0042  3   DC  A O2    
60  N  N3    . DC  A 3 ? 0.0779 0.0582 0.0661 0.0053  0.0061  -0.0022 3   DC  A N3    
61  C  C4    . DC  A 3 ? 0.0831 0.0666 0.0589 -0.0004 0.0037  -0.0048 3   DC  A C4    
62  N  N4    . DC  A 3 ? 0.0648 0.0666 0.0976 0.0006  0.0024  -0.0068 3   DC  A N4    
63  C  C5    . DC  A 3 ? 0.0822 0.0763 0.0701 0.0017  -0.0053 -0.0042 3   DC  A C5    
64  C  C6    . DC  A 3 ? 0.0992 0.0541 0.0739 0.0012  -0.0043 -0.0030 3   DC  A C6    
65  P  P     A DG  A 4 ? 0.0965 0.0965 0.1035 -0.0242 -0.0259 0.0242  4   DG  A P     
66  P  P     B DG  A 4 ? 0.1220 0.0646 0.1196 -0.0087 -0.0565 0.0137  4   DG  A P     
67  O  OP1   A DG  A 4 ? 0.2072 0.1226 0.1017 -0.0884 -0.0741 0.0411  4   DG  A OP1   
68  O  OP1   B DG  A 4 ? 0.1510 0.1140 0.1304 -0.0444 -0.0758 0.0187  4   DG  A OP1   
69  O  OP2   A DG  A 4 ? 0.0997 0.1834 0.0962 -0.0137 -0.0456 0.0375  4   DG  A OP2   
70  O  OP2   B DG  A 4 ? 0.0938 0.0818 0.1549 0.0021  -0.0270 0.0040  4   DG  A OP2   
71  O  "O5'" A DG  A 4 ? 0.1072 0.0844 0.0962 -0.0569 -0.0693 0.0428  4   DG  A "O5'" 
72  O  "O5'" B DG  A 4 ? 0.1085 0.0998 0.1291 -0.0513 -0.0687 0.0295  4   DG  A "O5'" 
73  C  "C5'" . DG  A 4 ? 0.0977 0.0676 0.1313 -0.0077 -0.0255 0.0270  4   DG  A "C5'" 
74  C  "C4'" . DG  A 4 ? 0.0868 0.0605 0.0852 -0.0068 0.0018  0.0052  4   DG  A "C4'" 
75  O  "O4'" . DG  A 4 ? 0.0914 0.0784 0.0706 -0.0006 0.0106  0.0105  4   DG  A "O4'" 
76  C  "C3'" . DG  A 4 ? 0.0853 0.0510 0.0692 0.0057  0.0094  0.0090  4   DG  A "C3'" 
77  O  "O3'" . DG  A 4 ? 0.0887 0.0619 0.0737 -0.0019 0.0208  -0.0019 4   DG  A "O3'" 
78  C  "C2'" . DG  A 4 ? 0.0847 0.0724 0.0793 0.0083  0.0090  0.0174  4   DG  A "C2'" 
79  C  "C1'" . DG  A 4 ? 0.0749 0.0619 0.0753 0.0115  0.0071  0.0076  4   DG  A "C1'" 
80  N  N9    . DG  A 4 ? 0.0812 0.0656 0.0784 0.0085  0.0164  0.0058  4   DG  A N9    
81  C  C8    . DG  A 4 ? 0.0878 0.0764 0.0966 0.0157  -0.0045 0.0168  4   DG  A C8    
82  N  N7    . DG  A 4 ? 0.0784 0.0756 0.1066 0.0110  0.0025  0.0161  4   DG  A N7    
83  C  C5    . DG  A 4 ? 0.0780 0.0695 0.0765 0.0027  -0.0090 0.0067  4   DG  A C5    
84  C  C6    . DG  A 4 ? 0.0902 0.0700 0.0671 0.0036  -0.0108 0.0052  4   DG  A C6    
85  O  O6    . DG  A 4 ? 0.0813 0.0688 0.1217 -0.0015 -0.0186 0.0054  4   DG  A O6    
86  N  N1    . DG  A 4 ? 0.0796 0.0650 0.0649 0.0016  -0.0085 0.0004  4   DG  A N1    
87  C  C2    . DG  A 4 ? 0.0897 0.0597 0.0510 0.0034  -0.0026 0.0084  4   DG  A C2    
88  N  N2    . DG  A 4 ? 0.0719 0.0557 0.0847 0.0028  0.0032  0.0057  4   DG  A N2    
89  N  N3    . DG  A 4 ? 0.0767 0.0657 0.0578 0.0103  0.0040  0.0072  4   DG  A N3    
90  C  C4    . DG  A 4 ? 0.0923 0.0641 0.0640 0.0068  0.0047  0.0094  4   DG  A C4    
91  P  P     . DC  A 5 ? 0.0874 0.0645 0.0794 0.0019  0.0147  0.0038  5   DC  A P     
92  O  OP1   . DC  A 5 ? 0.0805 0.1178 0.0780 0.0015  -0.0054 0.0156  5   DC  A OP1   
93  O  OP2   . DC  A 5 ? 0.1314 0.0704 0.1061 -0.0151 0.0464  0.0030  5   DC  A OP2   
94  O  "O5'" . DC  A 5 ? 0.0767 0.0734 0.0710 0.0020  0.0062  -0.0079 5   DC  A "O5'" 
95  C  "C5'" . DC  A 5 ? 0.0777 0.0674 0.0695 -0.0056 0.0056  -0.0042 5   DC  A "C5'" 
96  C  "C4'" . DC  A 5 ? 0.0648 0.0605 0.0672 -0.0077 0.0035  0.0018  5   DC  A "C4'" 
97  O  "O4'" . DC  A 5 ? 0.0742 0.0654 0.0571 -0.0139 0.0035  -0.0057 5   DC  A "O4'" 
98  C  "C3'" . DC  A 5 ? 0.0681 0.0802 0.0660 -0.0038 0.0050  -0.0007 5   DC  A "C3'" 
99  O  "O3'" . DC  A 5 ? 0.0646 0.0901 0.0769 0.0069  0.0047  0.0181  5   DC  A "O3'" 
100 C  "C2'" . DC  A 5 ? 0.0637 0.0764 0.0577 0.0025  0.0082  0.0079  5   DC  A "C2'" 
101 C  "C1'" . DC  A 5 ? 0.0637 0.0616 0.0654 -0.0026 0.0075  0.0014  5   DC  A "C1'" 
102 N  N1    . DC  A 5 ? 0.0676 0.0583 0.0621 -0.0100 0.0066  -0.0035 5   DC  A N1    
103 C  C2    . DC  A 5 ? 0.0693 0.0531 0.0617 -0.0034 0.0041  -0.0010 5   DC  A C2    
104 O  O2    . DC  A 5 ? 0.0647 0.0534 0.0863 -0.0037 0.0096  -0.0078 5   DC  A O2    
105 N  N3    . DC  A 5 ? 0.0635 0.0501 0.0643 -0.0038 0.0073  -0.0026 5   DC  A N3    
106 C  C4    . DC  A 5 ? 0.0641 0.0590 0.0521 -0.0039 0.0057  -0.0027 5   DC  A C4    
107 N  N4    . DC  A 5 ? 0.0692 0.0498 0.0867 0.0003  -0.0009 -0.0023 5   DC  A N4    
108 C  C5    . DC  A 5 ? 0.0756 0.0563 0.0691 0.0046  -0.0004 -0.0049 5   DC  A C5    
109 C  C6    . DC  A 5 ? 0.0697 0.0590 0.0673 -0.0080 0.0000  0.0015  5   DC  A C6    
110 P  P     . DG  A 6 ? 0.0733 0.0977 0.0782 -0.0040 -0.0025 0.0078  6   DG  A P     
111 O  OP1   . DG  A 6 ? 0.0954 0.1364 0.0788 -0.0192 -0.0069 -0.0124 6   DG  A OP1   
112 O  OP2   . DG  A 6 ? 0.1011 0.1034 0.1033 -0.0079 -0.0087 0.0300  6   DG  A OP2   
113 O  "O5'" . DG  A 6 ? 0.0758 0.0915 0.0685 -0.0032 0.0118  0.0044  6   DG  A "O5'" 
114 C  "C5'" . DG  A 6 ? 0.0794 0.0684 0.0824 0.0115  0.0071  0.0115  6   DG  A "C5'" 
115 C  "C4'" . DG  A 6 ? 0.0742 0.0624 0.0837 0.0060  0.0153  -0.0026 6   DG  A "C4'" 
116 O  "O4'" . DG  A 6 ? 0.0724 0.0612 0.0782 0.0011  0.0007  -0.0002 6   DG  A "O4'" 
117 C  "C3'" . DG  A 6 ? 0.0924 0.0630 0.0731 0.0000  0.0176  0.0069  6   DG  A "C3'" 
118 O  "O3'" . DG  A 6 ? 0.0791 0.0934 0.0747 -0.0047 0.0120  0.0126  6   DG  A "O3'" 
119 C  "C2'" . DG  A 6 ? 0.0770 0.0788 0.0630 -0.0069 0.0054  -0.0105 6   DG  A "C2'" 
120 C  "C1'" . DG  A 6 ? 0.0766 0.0639 0.0665 -0.0100 0.0006  0.0111  6   DG  A "C1'" 
121 N  N9    . DG  A 6 ? 0.0716 0.0560 0.0696 -0.0034 0.0046  0.0055  6   DG  A N9    
122 C  C8    . DG  A 6 ? 0.0843 0.0563 0.0688 -0.0041 -0.0018 0.0003  6   DG  A C8    
123 N  N7    . DG  A 6 ? 0.0747 0.0673 0.0639 -0.0100 0.0017  0.0096  6   DG  A N7    
124 C  C5    . DG  A 6 ? 0.0780 0.0641 0.0540 -0.0036 0.0048  0.0041  6   DG  A C5    
125 C  C6    . DG  A 6 ? 0.0816 0.0674 0.0607 -0.0081 0.0009  0.0002  6   DG  A C6    
126 O  O6    . DG  A 6 ? 0.0740 0.0739 0.0802 -0.0059 -0.0055 0.0077  6   DG  A O6    
127 N  N1    . DG  A 6 ? 0.0720 0.0585 0.0642 -0.0122 0.0014  0.0011  6   DG  A N1    
128 C  C2    . DG  A 6 ? 0.0859 0.0647 0.0487 -0.0063 0.0109  -0.0120 6   DG  A C2    
129 N  N2    . DG  A 6 ? 0.0854 0.0559 0.0667 -0.0049 0.0154  -0.0077 6   DG  A N2    
130 N  N3    . DG  A 6 ? 0.0724 0.0557 0.0605 -0.0051 0.0120  -0.0035 6   DG  A N3    
131 C  C4    . DG  A 6 ? 0.0736 0.0703 0.0494 -0.0119 0.0031  0.0023  6   DG  A C4    
132 O  "O5'" A DC  B 1 ? 0.0928 0.1238 0.1320 -0.0082 -0.0257 0.0231  7   DC  B "O5'" 
133 O  "O5'" B DC  B 1 ? 0.1189 0.1032 0.1365 -0.0342 -0.0127 0.0399  7   DC  B "O5'" 
134 C  "C5'" . DC  B 1 ? 0.0830 0.1093 0.1226 -0.0241 -0.0003 0.0019  7   DC  B "C5'" 
135 C  "C4'" . DC  B 1 ? 0.0819 0.0617 0.0945 -0.0136 -0.0049 0.0120  7   DC  B "C4'" 
136 O  "O4'" . DC  B 1 ? 0.1039 0.0698 0.0637 -0.0216 0.0092  0.0033  7   DC  B "O4'" 
137 C  "C3'" . DC  B 1 ? 0.1033 0.0752 0.0632 -0.0191 -0.0055 -0.0001 7   DC  B "C3'" 
138 O  "O3'" . DC  B 1 ? 0.0881 0.0750 0.0776 -0.0111 0.0019  -0.0052 7   DC  B "O3'" 
139 C  "C2'" . DC  B 1 ? 0.1108 0.0651 0.0598 -0.0096 0.0115  0.0012  7   DC  B "C2'" 
140 C  "C1'" . DC  B 1 ? 0.0923 0.0642 0.0626 -0.0199 -0.0008 -0.0010 7   DC  B "C1'" 
141 N  N1    . DC  B 1 ? 0.0800 0.0775 0.0627 -0.0139 0.0044  0.0039  7   DC  B N1    
142 C  C2    . DC  B 1 ? 0.0858 0.0626 0.0543 -0.0167 -0.0003 -0.0026 7   DC  B C2    
143 O  O2    . DC  B 1 ? 0.0845 0.0577 0.0932 -0.0077 -0.0019 0.0030  7   DC  B O2    
144 N  N3    . DC  B 1 ? 0.0796 0.0587 0.0645 -0.0047 0.0037  0.0006  7   DC  B N3    
145 C  C4    . DC  B 1 ? 0.0915 0.0619 0.0502 -0.0126 0.0016  -0.0082 7   DC  B C4    
146 N  N4    . DC  B 1 ? 0.0805 0.0709 0.0852 -0.0018 -0.0060 0.0007  7   DC  B N4    
147 C  C5    . DC  B 1 ? 0.0694 0.0804 0.0766 -0.0088 0.0090  0.0017  7   DC  B C5    
148 C  C6    . DC  B 1 ? 0.0841 0.0812 0.0674 -0.0214 0.0011  -0.0045 7   DC  B C6    
149 P  P     . DG  B 2 ? 0.0960 0.0748 0.0795 -0.0044 -0.0018 -0.0164 8   DG  B P     
150 O  OP1   . DG  B 2 ? 0.1230 0.0937 0.0778 -0.0091 -0.0189 -0.0252 8   DG  B OP1   
151 O  OP2   . DG  B 2 ? 0.1005 0.0980 0.1075 0.0119  0.0022  -0.0287 8   DG  B OP2   
152 O  "O5'" . DG  B 2 ? 0.0896 0.0648 0.0764 -0.0111 -0.0166 -0.0074 8   DG  B "O5'" 
153 C  "C5'" . DG  B 2 ? 0.0770 0.0633 0.0832 -0.0057 -0.0088 -0.0018 8   DG  B "C5'" 
154 C  "C4'" . DG  B 2 ? 0.0807 0.0440 0.0912 -0.0082 -0.0125 0.0072  8   DG  B "C4'" 
155 O  "O4'" . DG  B 2 ? 0.0628 0.0648 0.0791 -0.0085 -0.0054 0.0032  8   DG  B "O4'" 
156 C  "C3'" . DG  B 2 ? 0.0758 0.0516 0.0815 -0.0068 -0.0168 0.0141  8   DG  B "C3'" 
157 O  "O3'" . DG  B 2 ? 0.0669 0.0594 0.1078 -0.0022 -0.0180 0.0154  8   DG  B "O3'" 
158 C  "C2'" . DG  B 2 ? 0.0789 0.0656 0.0789 -0.0075 -0.0073 0.0148  8   DG  B "C2'" 
159 C  "C1'" . DG  B 2 ? 0.0674 0.0595 0.0829 -0.0044 -0.0062 0.0156  8   DG  B "C1'" 
160 N  N9    . DG  B 2 ? 0.0653 0.0572 0.0740 -0.0063 -0.0011 0.0141  8   DG  B N9    
161 C  C8    . DG  B 2 ? 0.0669 0.0772 0.0876 0.0021  0.0038  0.0121  8   DG  B C8    
162 N  N7    . DG  B 2 ? 0.0601 0.0706 0.0986 -0.0070 0.0013  0.0082  8   DG  B N7    
163 C  C5    . DG  B 2 ? 0.0573 0.0646 0.0671 -0.0139 0.0066  -0.0006 8   DG  B C5    
164 C  C6    . DG  B 2 ? 0.0625 0.0636 0.0647 -0.0030 0.0007  -0.0011 8   DG  B C6    
165 O  O6    . DG  B 2 ? 0.0685 0.0551 0.1010 -0.0023 0.0106  0.0002  8   DG  B O6    
166 N  N1    . DG  B 2 ? 0.0623 0.0541 0.0636 -0.0122 -0.0026 -0.0022 8   DG  B N1    
167 C  C2    . DG  B 2 ? 0.0571 0.0566 0.0636 -0.0048 -0.0006 0.0036  8   DG  B C2    
168 N  N2    . DG  B 2 ? 0.0567 0.0505 0.0989 -0.0046 -0.0047 -0.0047 8   DG  B N2    
169 N  N3    . DG  B 2 ? 0.0588 0.0591 0.0688 -0.0048 -0.0070 0.0093  8   DG  B N3    
170 C  C4    . DG  B 2 ? 0.0624 0.0608 0.0606 -0.0078 -0.0043 0.0066  8   DG  B C4    
171 P  P     . DC  B 3 ? 0.0748 0.0612 0.0894 -0.0020 -0.0123 0.0064  9   DC  B P     
172 O  OP1   . DC  B 3 ? 0.0875 0.0726 0.0979 0.0031  -0.0144 0.0033  9   DC  B OP1   
173 O  OP2   . DC  B 3 ? 0.0922 0.0807 0.1005 -0.0025 0.0101  0.0185  9   DC  B OP2   
174 O  "O5'" . DC  B 3 ? 0.0916 0.0661 0.1114 0.0123  -0.0369 -0.0039 9   DC  B "O5'" 
175 C  "C5'" . DC  B 3 ? 0.0878 0.0553 0.0844 -0.0027 -0.0076 0.0049  9   DC  B "C5'" 
176 C  "C4'" . DC  B 3 ? 0.0871 0.0598 0.0692 0.0045  -0.0048 0.0082  9   DC  B "C4'" 
177 O  "O4'" . DC  B 3 ? 0.1249 0.0617 0.0545 0.0058  0.0009  0.0070  9   DC  B "O4'" 
178 C  "C3'" . DC  B 3 ? 0.0897 0.0581 0.0800 -0.0018 -0.0050 0.0013  9   DC  B "C3'" 
179 O  "O3'" . DC  B 3 ? 0.1074 0.0564 0.0903 -0.0036 -0.0147 -0.0023 9   DC  B "O3'" 
180 C  "C2'" . DC  B 3 ? 0.0907 0.0619 0.0827 0.0036  0.0024  0.0085  9   DC  B "C2'" 
181 C  "C1'" . DC  B 3 ? 0.1034 0.0560 0.0617 0.0070  -0.0089 -0.0067 9   DC  B "C1'" 
182 N  N1    . DC  B 3 ? 0.0984 0.0596 0.0593 0.0035  -0.0051 -0.0002 9   DC  B N1    
183 C  C2    . DC  B 3 ? 0.0980 0.0698 0.0510 0.0046  -0.0013 -0.0014 9   DC  B C2    
184 O  O2    . DC  B 3 ? 0.0812 0.0581 0.0994 0.0024  -0.0163 0.0022  9   DC  B O2    
185 N  N3    . DC  B 3 ? 0.0890 0.0643 0.0589 0.0013  -0.0052 0.0030  9   DC  B N3    
186 C  C4    . DC  B 3 ? 0.0861 0.0714 0.0603 0.0040  -0.0056 -0.0056 9   DC  B C4    
187 N  N4    . DC  B 3 ? 0.1087 0.0726 0.0790 -0.0173 -0.0024 -0.0025 9   DC  B N4    
188 C  C5    . DC  B 3 ? 0.0944 0.0666 0.0780 -0.0080 0.0080  -0.0109 9   DC  B C5    
189 C  C6    . DC  B 3 ? 0.1060 0.0599 0.0611 -0.0058 0.0062  0.0017  9   DC  B C6    
190 P  P     . DG  B 4 ? 0.0911 0.0666 0.0914 -0.0115 0.0109  0.0050  10  DG  B P     
191 O  OP1   . DG  B 4 ? 0.1438 0.0927 0.0982 -0.0236 0.0466  -0.0007 10  DG  B OP1   
192 O  OP2   . DG  B 4 ? 0.1150 0.0774 0.1259 -0.0246 -0.0092 0.0090  10  DG  B OP2   
193 O  "O5'" . DG  B 4 ? 0.0780 0.0665 0.0685 -0.0009 0.0094  -0.0073 10  DG  B "O5'" 
194 C  "C5'" . DG  B 4 ? 0.0682 0.0674 0.0745 -0.0052 0.0116  -0.0051 10  DG  B "C5'" 
195 C  "C4'" . DG  B 4 ? 0.0706 0.0616 0.0683 0.0030  0.0044  -0.0123 10  DG  B "C4'" 
196 O  "O4'" . DG  B 4 ? 0.0741 0.0652 0.0618 -0.0053 0.0050  -0.0078 10  DG  B "O4'" 
197 C  "C3'" . DG  B 4 ? 0.0597 0.0720 0.0718 0.0109  -0.0008 -0.0080 10  DG  B "C3'" 
198 O  "O3'" . DG  B 4 ? 0.0621 0.0823 0.0816 0.0132  -0.0043 -0.0166 10  DG  B "O3'" 
199 C  "C2'" . DG  B 4 ? 0.0744 0.0729 0.0660 -0.0006 0.0022  -0.0048 10  DG  B "C2'" 
200 C  "C1'" . DG  B 4 ? 0.0672 0.0574 0.0791 0.0058  0.0084  -0.0043 10  DG  B "C1'" 
201 N  N9    . DG  B 4 ? 0.0635 0.0523 0.0777 -0.0019 -0.0010 -0.0026 10  DG  B N9    
202 C  C8    . DG  B 4 ? 0.0744 0.0510 0.0746 -0.0025 0.0046  0.0018  10  DG  B C8    
203 N  N7    . DG  B 4 ? 0.0758 0.0541 0.0688 -0.0018 0.0046  0.0023  10  DG  B N7    
204 C  C5    . DG  B 4 ? 0.0700 0.0555 0.0585 -0.0059 0.0080  -0.0052 10  DG  B C5    
205 C  C6    . DG  B 4 ? 0.0679 0.0618 0.0508 -0.0040 0.0079  -0.0040 10  DG  B C6    
206 O  O6    . DG  B 4 ? 0.0742 0.0568 0.0824 -0.0001 0.0063  -0.0026 10  DG  B O6    
207 N  N1    . DG  B 4 ? 0.0667 0.0517 0.0608 -0.0056 0.0028  -0.0019 10  DG  B N1    
208 C  C2    . DG  B 4 ? 0.0745 0.0536 0.0532 -0.0056 0.0009  -0.0135 10  DG  B C2    
209 N  N2    . DG  B 4 ? 0.0686 0.0614 0.0669 -0.0027 0.0042  -0.0093 10  DG  B N2    
210 N  N3    . DG  B 4 ? 0.0665 0.0615 0.0548 -0.0039 0.0079  -0.0048 10  DG  B N3    
211 C  C4    . DG  B 4 ? 0.0683 0.0676 0.0477 -0.0061 0.0031  -0.0076 10  DG  B C4    
212 P  P     . DC  B 5 ? 0.0669 0.0663 0.0835 0.0097  -0.0052 -0.0086 11  DC  B P     
213 O  OP1   . DC  B 5 ? 0.0706 0.0932 0.0716 -0.0061 -0.0023 0.0019  11  DC  B OP1   
214 O  OP2   . DC  B 5 ? 0.0650 0.0721 0.1125 0.0135  -0.0161 -0.0057 11  DC  B OP2   
215 O  "O5'" . DC  B 5 ? 0.0769 0.0749 0.0851 0.0091  -0.0064 -0.0040 11  DC  B "O5'" 
216 C  "C5'" . DC  B 5 ? 0.0696 0.0730 0.0833 0.0041  -0.0138 -0.0137 11  DC  B "C5'" 
217 C  "C4'" . DC  B 5 ? 0.0577 0.0761 0.1024 -0.0048 -0.0102 -0.0166 11  DC  B "C4'" 
218 O  "O4'" . DC  B 5 ? 0.0592 0.0978 0.0797 0.0079  -0.0072 -0.0106 11  DC  B "O4'" 
219 C  "C3'" . DC  B 5 ? 0.0703 0.0657 0.1094 0.0040  -0.0073 -0.0019 11  DC  B "C3'" 
220 O  "O3'" . DC  B 5 ? 0.0671 0.0725 0.1711 -0.0003 -0.0260 -0.0070 11  DC  B "O3'" 
221 C  "C2'" . DC  B 5 ? 0.0686 0.0646 0.0946 -0.0049 -0.0029 -0.0008 11  DC  B "C2'" 
222 C  "C1'" . DC  B 5 ? 0.0650 0.0692 0.0830 0.0054  -0.0039 -0.0158 11  DC  B "C1'" 
223 N  N1    . DC  B 5 ? 0.0603 0.0732 0.0640 0.0110  0.0013  -0.0074 11  DC  B N1    
224 C  C2    . DC  B 5 ? 0.0630 0.0713 0.0644 0.0011  0.0002  -0.0103 11  DC  B C2    
225 O  O2    . DC  B 5 ? 0.0655 0.0658 0.0965 0.0064  0.0014  -0.0113 11  DC  B O2    
226 N  N3    . DC  B 5 ? 0.0644 0.0661 0.0661 0.0001  0.0028  -0.0035 11  DC  B N3    
227 C  C4    . DC  B 5 ? 0.0674 0.0741 0.0416 -0.0005 0.0112  -0.0026 11  DC  B C4    
228 N  N4    . DC  B 5 ? 0.0698 0.0666 0.0714 -0.0033 0.0092  -0.0052 11  DC  B N4    
229 C  C5    . DC  B 5 ? 0.0781 0.0615 0.0580 0.0037  0.0062  -0.0031 11  DC  B C5    
230 C  C6    . DC  B 5 ? 0.0682 0.0772 0.0592 0.0087  0.0041  -0.0083 11  DC  B C6    
231 P  P     . DG  B 6 ? 0.0929 0.0812 0.1859 -0.0211 -0.0501 0.0289  12  DG  B P     
232 O  OP1   . DG  B 6 ? 0.1059 0.1575 0.1304 -0.0353 -0.0120 0.0050  12  DG  B OP1   
233 O  OP2   . DG  B 6 ? 0.1457 0.0870 0.3439 -0.0300 -0.1010 0.0478  12  DG  B OP2   
234 O  "O5'" . DG  B 6 ? 0.0673 0.0820 0.1325 0.0046  -0.0183 -0.0090 12  DG  B "O5'" 
235 C  "C5'" . DG  B 6 ? 0.1069 0.0776 0.1604 0.0097  0.0404  -0.0117 12  DG  B "C5'" 
236 C  "C4'" . DG  B 6 ? 0.1191 0.0726 0.1104 -0.0260 0.0169  -0.0041 12  DG  B "C4'" 
237 O  "O4'" . DG  B 6 ? 0.0821 0.0652 0.1276 -0.0099 0.0141  -0.0178 12  DG  B "O4'" 
238 C  "C3'" A DG  B 6 ? 0.0549 0.0665 0.1280 -0.0007 -0.0055 -0.0103 12  DG  B "C3'" 
239 C  "C3'" B DG  B 6 ? 0.0960 0.0782 0.1125 -0.0023 0.0008  -0.0206 12  DG  B "C3'" 
240 O  "O3'" A DG  B 6 ? 0.0703 0.1009 0.0924 -0.0292 -0.0099 -0.0112 12  DG  B "O3'" 
241 O  "O3'" B DG  B 6 ? 0.1473 0.0868 0.1233 -0.0098 -0.0311 -0.0125 12  DG  B "O3'" 
242 C  "C2'" . DG  B 6 ? 0.0906 0.0688 0.0822 -0.0004 -0.0152 -0.0109 12  DG  B "C2'" 
243 C  "C1'" . DG  B 6 ? 0.0652 0.0601 0.1103 0.0000  -0.0171 0.0004  12  DG  B "C1'" 
244 N  N9    . DG  B 6 ? 0.0648 0.0623 0.0805 0.0025  -0.0163 -0.0016 12  DG  B N9    
245 C  C8    . DG  B 6 ? 0.0746 0.0561 0.0813 0.0019  -0.0101 -0.0062 12  DG  B C8    
246 N  N7    . DG  B 6 ? 0.0721 0.0421 0.0828 0.0049  -0.0162 -0.0063 12  DG  B N7    
247 C  C5    . DG  B 6 ? 0.0604 0.0600 0.0693 0.0016  -0.0112 0.0001  12  DG  B C5    
248 C  C6    . DG  B 6 ? 0.0610 0.0558 0.0630 0.0047  -0.0017 -0.0041 12  DG  B C6    
249 O  O6    . DG  B 6 ? 0.0604 0.0627 0.0809 0.0008  -0.0009 -0.0040 12  DG  B O6    
250 N  N1    . DG  B 6 ? 0.0600 0.0579 0.0698 0.0064  0.0008  0.0000  12  DG  B N1    
251 C  C2    . DG  B 6 ? 0.0644 0.0614 0.0651 0.0081  -0.0031 -0.0140 12  DG  B C2    
252 N  N2    . DG  B 6 ? 0.0705 0.0596 0.0983 0.0064  0.0023  -0.0058 12  DG  B N2    
253 N  N3    . DG  B 6 ? 0.0575 0.0554 0.0788 0.0033  -0.0084 -0.0059 12  DG  B N3    
254 C  C4    . DG  B 6 ? 0.0635 0.0602 0.0713 0.0007  -0.0091 -0.0028 12  DG  B C4    
255 ZN ZN    . ZN  C . ? 0.0938 0.0737 0.0866 0.0071  0.0124  0.0021  101 ZN  A ZN    
256 ZN ZN    . ZN  D . ? 0.0692 0.0547 0.0725 -0.0038 0.0072  0.0018  101 ZN  B ZN    
257 CL CL    . CL  E . ? 0.1268 0.0677 0.0713 0.0031  0.0004  0.0067  102 CL  B CL    
258 N  N1    . SPK F . ? 0.0786 0.0940 0.0702 0.0104  0.0069  0.0220  103 SPK B N1    
259 C  C2    . SPK F . ? 0.0881 0.1245 0.1265 0.0021  0.0053  0.0401  103 SPK B C2    
260 C  C3    . SPK F . ? 0.0760 0.1991 0.1987 -0.0074 0.0082  0.1287  103 SPK B C3    
261 C  C4    . SPK F . ? 0.1222 0.3355 0.1936 0.0609  0.0234  0.1539  103 SPK B C4    
262 N  N5    . SPK F . ? 0.0947 0.1256 0.1820 0.0254  0.0383  0.0416  103 SPK B N5    
263 C  C6    . SPK F . ? 0.1179 0.0595 0.1357 0.0131  0.0703  0.0165  103 SPK B C6    
264 C  C7    . SPK F . ? 0.1051 0.0538 0.0530 0.0245  0.0187  0.0269  103 SPK B C7    
265 C  C8    . SPK F . ? 0.2032 0.1384 0.2427 -0.0388 0.0238  0.1149  103 SPK B C8    
266 C  C9    . SPK F . ? 0.3723 0.1162 0.2977 0.0158  -0.0158 0.0914  103 SPK B C9    
267 N  N10   . SPK F . ? 0.3450 0.0785 0.2817 -0.0369 0.1111  -0.0201 103 SPK B N10   
268 C  C11   . SPK F . ? 0.5845 0.2023 0.2162 -0.0296 0.1369  -0.0647 103 SPK B C11   
269 C  C12   . SPK F . ? 0.6596 0.2049 0.4367 0.0115  0.1648  -0.1050 103 SPK B C12   
270 C  C13   . SPK F . ? 0.7588 0.2004 0.5440 0.0429  0.0356  -0.0440 103 SPK B C13   
271 N  N14   . SPK F . ? 0.3708 0.1086 0.1868 -0.0921 0.0817  -0.0005 103 SPK B N14   
272 O  O     . HOH G . ? 0.0917 0.0792 0.0868 0.0029  0.0048  0.0055  201 HOH A O     
273 O  O     . HOH G . ? 0.2155 0.2088 0.1516 0.0035  -0.0147 0.0019  202 HOH A O     
274 O  O     . HOH G . ? 0.0920 0.0901 0.1520 -0.0103 -0.0168 0.0267  203 HOH A O     
275 O  O     . HOH G . ? 0.1313 0.0936 0.1049 0.0060  -0.0252 -0.0076 204 HOH A O     
276 O  O     . HOH G . ? 0.0969 0.0895 0.0850 0.0029  0.0079  -0.0094 205 HOH A O     
277 O  O     . HOH G . ? 0.0936 0.0743 0.1054 0.0066  0.0137  -0.0090 206 HOH A O     
278 O  O     . HOH G . ? 0.0905 0.0988 0.1100 0.0051  -0.0008 -0.0128 207 HOH A O     
279 O  O     A HOH G . ? 0.0768 0.0728 0.2192 -0.0043 -0.0028 0.0128  208 HOH A O     
280 O  O     B HOH G . ? 0.1225 0.1183 0.1789 0.0055  0.0428  -0.0154 208 HOH A O     
281 O  O     . HOH G . ? 0.1180 0.0764 0.1202 -0.0004 -0.0289 -0.0081 209 HOH A O     
282 O  O     . HOH G . ? 0.1626 0.0926 0.1056 -0.0258 0.0133  -0.0060 210 HOH A O     
283 O  O     . HOH G . ? 0.1531 0.3795 0.2723 -0.0318 -0.0339 -0.0308 211 HOH A O     
284 O  O     . HOH G . ? 0.0747 0.1595 0.1447 0.0164  -0.0064 0.0127  212 HOH A O     
285 O  O     . HOH G . ? 0.1511 0.2085 0.1524 -0.0227 -0.0465 0.0097  213 HOH A O     
286 O  O     . HOH G . ? 0.0991 0.3114 0.2492 -0.0671 -0.0346 0.0699  214 HOH A O     
287 O  O     . HOH G . ? 0.3063 0.1770 0.2002 -0.0741 -0.0810 0.0759  215 HOH A O     
288 O  O     . HOH G . ? 0.3116 0.1068 0.1428 0.0179  -0.0750 0.0081  216 HOH A O     
289 O  O     . HOH G . ? 0.1493 0.1295 0.2528 -0.0152 0.0154  -0.0282 217 HOH A O     
290 O  O     . HOH G . ? 0.1206 0.2202 0.3842 -0.0465 -0.0057 0.0454  218 HOH A O     
291 O  O     . HOH G . ? 0.1089 0.1163 0.1245 0.0045  0.0146  -0.0260 219 HOH A O     
292 O  O     . HOH G . ? 0.6927 0.4202 0.2468 -0.4101 -0.2283 0.1951  220 HOH A O     
293 O  O     . HOH G . ? 0.0895 0.0297 0.0687 0.0115  0.0141  -0.0136 221 HOH A O     
294 O  O     . HOH G . ? 0.1756 0.2169 0.2168 -0.0832 0.0810  -0.1038 222 HOH A O     
295 O  O     . HOH G . ? 0.1646 0.1100 0.2122 -0.0432 -0.0782 0.0485  223 HOH A O     
296 O  O     . HOH G . ? 0.0841 0.0721 0.0903 -0.0078 -0.0089 -0.0054 224 HOH A O     
297 O  O     . HOH G . ? 0.0839 0.0875 0.0896 -0.0332 -0.0192 0.0276  225 HOH A O     
298 O  O     . HOH G . ? 0.1245 0.1183 0.2081 0.0314  -0.0257 0.0078  226 HOH A O     
299 O  O     . HOH G . ? 0.3214 0.1156 0.2834 -0.0355 0.1883  -0.0560 227 HOH A O     
300 O  O     . HOH G . ? 0.1220 0.1633 0.1974 -0.0439 0.0784  -0.0877 228 HOH A O     
301 O  O     . HOH G . ? 0.1115 0.1168 0.1230 0.0426  -0.0409 -0.0350 229 HOH A O     
302 O  O     . HOH G . ? 0.2357 0.2280 0.6852 0.0559  -0.1317 0.0424  230 HOH A O     
303 O  O     . HOH G . ? 0.1032 0.1463 0.1028 0.0033  -0.0343 -0.0294 231 HOH A O     
304 O  O     . HOH G . ? 0.1148 0.0892 0.2411 -0.0199 0.0145  -0.0358 232 HOH A O     
305 O  O     . HOH G . ? 0.1586 0.8398 0.4478 0.0875  -0.0180 0.2665  233 HOH A O     
306 O  O     . HOH G . ? 0.0988 0.0774 0.1037 0.0069  0.0089  0.0210  234 HOH A O     
307 O  O     . HOH G . ? 0.1541 0.1346 0.1630 0.0452  0.0199  -0.0253 235 HOH A O     
308 O  O     . HOH G . ? 0.4419 0.1100 0.3422 -0.0891 -0.1395 0.0705  236 HOH A O     
309 O  O     . HOH H . ? 0.0854 0.0747 0.0858 -0.0030 0.0071  -0.0093 201 HOH B O     
310 O  O     . HOH H . ? 0.1050 0.0867 0.0905 -0.0020 0.0074  0.0025  202 HOH B O     
311 O  O     . HOH H . ? 0.0792 0.0591 0.0883 0.0061  0.0071  -0.0026 203 HOH B O     
312 O  O     . HOH H . ? 0.0865 0.0677 0.1281 -0.0130 -0.0009 -0.0088 204 HOH B O     
313 O  O     . HOH H . ? 0.0938 0.0837 0.1526 -0.0035 -0.0016 0.0002  205 HOH B O     
314 O  O     . HOH H . ? 0.0788 0.0801 0.3444 -0.0021 -0.0342 -0.0330 206 HOH B O     
315 O  O     . HOH H . ? 0.1265 0.0953 0.1913 -0.0059 -0.0097 -0.0186 207 HOH B O     
316 O  O     . HOH H . ? 0.0990 0.0788 0.1454 -0.0035 0.0034  0.0187  208 HOH B O     
317 O  O     . HOH H . ? 0.1210 0.2300 0.1817 -0.0379 -0.0421 0.0616  209 HOH B O     
318 O  O     . HOH H . ? 0.1625 0.1074 0.1465 0.0143  -0.0387 -0.0131 210 HOH B O     
319 O  O     . HOH H . ? 0.0703 0.1028 0.0771 0.0005  -0.0052 -0.0079 211 HOH B O     
320 O  O     . HOH H . ? 0.1903 0.1551 0.2895 -0.0675 0.0780  -0.0505 212 HOH B O     
321 O  O     . HOH H . ? 0.0994 0.1733 0.1696 -0.0163 0.0073  -0.0588 213 HOH B O     
322 O  O     . HOH H . ? 0.1039 0.0643 0.0932 -0.0044 -0.0086 0.0174  214 HOH B O     
323 O  O     . HOH H . ? 0.1366 0.0883 0.1284 0.0160  0.0548  0.0112  215 HOH B O     
324 O  O     . HOH H . ? 0.1000 0.0783 0.0980 -0.0032 -0.0114 -0.0022 216 HOH B O     
325 O  O     . HOH H . ? 0.1918 0.1402 0.1744 -0.0710 0.0860  -0.0237 217 HOH B O     
326 O  O     . HOH H . ? 0.1689 0.1443 0.1714 0.0537  0.0687  0.0635  218 HOH B O     
327 O  O     . HOH H . ? 0.1184 0.1706 0.1455 -0.0345 -0.0241 0.0462  219 HOH B O     
328 O  O     . HOH H . ? 0.1355 0.1222 0.1199 0.0048  -0.0033 -0.0296 220 HOH B O     
329 O  O     A HOH H . ? 0.1611 0.0969 0.1304 -0.0007 -0.0258 0.0160  221 HOH B O     
330 O  O     B HOH H . ? 0.2242 0.1161 0.1215 0.0199  -0.0307 0.0036  221 HOH B O     
331 O  O     A HOH H . ? 0.1941 0.2047 0.2568 -0.0058 0.0328  -0.0526 222 HOH B O     
332 O  O     B HOH H . ? 0.1720 0.1452 0.1516 0.0106  0.0254  0.0379  222 HOH B O     
333 O  O     . HOH H . ? 0.6301 0.6063 0.4110 -0.3776 0.3588  -0.2792 223 HOH B O     
334 O  O     . HOH H . ? 0.4781 0.5604 0.4484 -0.2459 -0.1143 0.1613  224 HOH B O     
335 O  O     . HOH H . ? 0.2358 0.1679 0.2559 0.0352  0.0458  -0.0483 225 HOH B O     
336 O  O     . HOH H . ? 0.2796 0.2712 0.7211 0.0409  0.1785  0.1926  226 HOH B O     
337 O  O     . HOH H . ? 0.1234 0.0833 0.1528 0.0164  -0.0299 -0.0043 227 HOH B O     
338 O  O     . HOH H . ? 0.1192 0.1231 0.1391 0.0289  -0.0323 -0.0338 228 HOH B O     
339 O  O     . HOH H . ? 0.1531 0.1188 0.3258 -0.0571 -0.0967 0.0564  229 HOH B O     
340 O  O     . HOH H . ? 0.2086 0.1794 0.3747 0.1018  0.1277  0.1510  230 HOH B O     
341 O  O     . HOH H . ? 0.4633 0.3434 0.3169 -0.1181 0.1753  -0.0918 231 HOH B O     
342 O  O     . HOH H . ? 0.2938 0.2543 0.1630 0.1110  -0.0141 -0.0136 232 HOH B O     
343 O  O     . HOH H . ? 0.0755 0.0691 0.0889 -0.0062 0.0068  -0.0015 233 HOH B O     
344 O  O     . HOH H . ? 0.4388 0.1670 0.1533 -0.0877 0.0398  -0.0498 234 HOH B O     
345 O  O     . HOH H . ? 0.5212 0.1029 0.4677 0.0829  0.0287  -0.0309 235 HOH B O     
346 O  O     . HOH H . ? 0.1582 0.2085 0.2145 0.0161  0.0394  0.1075  236 HOH B O     
347 O  O     A HOH H . ? 0.4805 0.4312 0.5227 0.2811  0.0834  0.2998  237 HOH B O     
348 O  O     B HOH H . ? 0.1375 0.1072 0.0510 0.0789  0.0383  -0.0007 237 HOH B O     
349 O  O     . HOH H . ? 0.2068 0.1541 0.2063 0.0340  -0.0357 -0.0755 238 HOH B O     
350 O  O     . HOH H . ? 0.3800 0.3800 0.3800 0.0000  0.0000  0.0000  239 HOH B O     
# 
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 DC A . n 
A 1 2 DG 2 2  2  DG DG A . n 
A 1 3 DC 3 3  3  DC DC A . n 
A 1 4 DG 4 4  4  DG DG A . n 
A 1 5 DC 5 5  5  DC DC A . n 
A 1 6 DG 6 6  6  DG DG A . n 
B 1 1 DC 1 7  7  DC DC B . n 
B 1 2 DG 2 8  8  DG DG B . n 
B 1 3 DC 3 9  9  DC DC B . n 
B 1 4 DG 4 10 10 DG DG B . n 
B 1 5 DC 5 11 11 DC DC B . n 
B 1 6 DG 6 12 12 DG DG 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 ZN  1  101 14 ZN  ZN  A . 
D 2 ZN  1  101 13 ZN  ZN  B . 
E 3 CL  1  102 15 CL  CL  B . 
F 4 SPK 1  103 16 SPK SPK B . 
G 5 HOH 1  201 21 HOH HOH A . 
G 5 HOH 2  202 24 HOH HOH A . 
G 5 HOH 3  203 25 HOH HOH A . 
G 5 HOH 4  204 27 HOH HOH A . 
G 5 HOH 5  205 28 HOH HOH A . 
G 5 HOH 6  206 30 HOH HOH A . 
G 5 HOH 7  207 32 HOH HOH A . 
G 5 HOH 8  208 33 HOH HOH A . 
G 5 HOH 9  209 35 HOH HOH A . 
G 5 HOH 10 210 42 HOH HOH A . 
G 5 HOH 11 211 44 HOH HOH A . 
G 5 HOH 12 212 45 HOH HOH A . 
G 5 HOH 13 213 46 HOH HOH A . 
G 5 HOH 14 214 47 HOH HOH A . 
G 5 HOH 15 215 48 HOH HOH A . 
G 5 HOH 16 216 50 HOH HOH A . 
G 5 HOH 17 217 52 HOH HOH A . 
G 5 HOH 18 218 53 HOH HOH A . 
G 5 HOH 19 219 54 HOH HOH A . 
G 5 HOH 20 220 59 HOH HOH A . 
G 5 HOH 21 221 60 HOH HOH A . 
G 5 HOH 22 222 61 HOH HOH A . 
G 5 HOH 23 223 68 HOH HOH A . 
G 5 HOH 24 224 69 HOH HOH A . 
G 5 HOH 25 225 70 HOH HOH A . 
G 5 HOH 26 226 71 HOH HOH A . 
G 5 HOH 27 227 72 HOH HOH A . 
G 5 HOH 28 228 73 HOH HOH A . 
G 5 HOH 29 229 74 HOH HOH A . 
G 5 HOH 30 230 76 HOH HOH A . 
G 5 HOH 31 231 79 HOH HOH A . 
G 5 HOH 32 232 80 HOH HOH A . 
G 5 HOH 33 233 81 HOH HOH A . 
G 5 HOH 34 234 82 HOH HOH A . 
G 5 HOH 35 235 83 HOH HOH A . 
G 5 HOH 36 236 87 HOH HOH A . 
H 5 HOH 1  201 17 HOH HOH B . 
H 5 HOH 2  202 18 HOH HOH B . 
H 5 HOH 3  203 19 HOH HOH B . 
H 5 HOH 4  204 20 HOH HOH B . 
H 5 HOH 5  205 22 HOH HOH B . 
H 5 HOH 6  206 23 HOH HOH B . 
H 5 HOH 7  207 26 HOH HOH B . 
H 5 HOH 8  208 29 HOH HOH B . 
H 5 HOH 9  209 31 HOH HOH B . 
H 5 HOH 10 210 34 HOH HOH B . 
H 5 HOH 11 211 36 HOH HOH B . 
H 5 HOH 12 212 37 HOH HOH B . 
H 5 HOH 13 213 38 HOH HOH B . 
H 5 HOH 14 214 39 HOH HOH B . 
H 5 HOH 15 215 40 HOH HOH B . 
H 5 HOH 16 216 41 HOH HOH B . 
H 5 HOH 17 217 43 HOH HOH B . 
H 5 HOH 18 218 49 HOH HOH B . 
H 5 HOH 19 219 51 HOH HOH B . 
H 5 HOH 20 220 55 HOH HOH B . 
H 5 HOH 21 221 56 HOH HOH B . 
H 5 HOH 22 222 57 HOH HOH B . 
H 5 HOH 23 223 58 HOH HOH B . 
H 5 HOH 24 224 62 HOH HOH B . 
H 5 HOH 25 225 63 HOH HOH B . 
H 5 HOH 26 226 64 HOH HOH B . 
H 5 HOH 27 227 65 HOH HOH B . 
H 5 HOH 28 228 66 HOH HOH B . 
H 5 HOH 29 229 67 HOH HOH B . 
H 5 HOH 30 230 75 HOH HOH B . 
H 5 HOH 31 231 77 HOH HOH B . 
H 5 HOH 32 232 78 HOH HOH B . 
H 5 HOH 33 233 84 HOH HOH B . 
H 5 HOH 34 234 85 HOH HOH B . 
H 5 HOH 35 235 86 HOH HOH B . 
H 5 HOH 36 236 88 HOH HOH B . 
H 5 HOH 37 237 89 HOH HOH B . 
H 5 HOH 38 238 90 HOH HOH B . 
H 5 HOH 39 239 91 HOH HOH B . 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G,H 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 630  ? 
1 MORE         -5   ? 
1 'SSA (A^2)'  2340 ? 
# 
_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_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1  N7 ? B DG  4 ? B DG  10  ? 1_555 ZN ? D ZN . ? B ZN 101 ? 1_555 O ? H HOH . ? B HOH 233 ? 1_555 111.0 ? 
2  N7 ? A DG  6 ? A DG  6   ? 1_555 ZN ? C ZN . ? A ZN 101 ? 1_555 O ? G HOH . ? A HOH 205 ? 1_555 92.9  ? 
3  N7 ? A DG  6 ? A DG  6   ? 1_555 ZN ? C ZN . ? A ZN 101 ? 1_555 O ? G HOH . ? A HOH 234 ? 1_555 86.2  ? 
4  O  ? G HOH . ? A HOH 205 ? 1_555 ZN ? C ZN . ? A ZN 101 ? 1_555 O ? G HOH . ? A HOH 234 ? 1_555 178.1 ? 
5  N7 ? A DG  6 ? A DG  6   ? 1_555 ZN ? C ZN . ? A ZN 101 ? 1_555 O ? G HOH . ? A HOH 235 ? 1_555 176.3 ? 
6  O  ? G HOH . ? A HOH 205 ? 1_555 ZN ? C ZN . ? A ZN 101 ? 1_555 O ? G HOH . ? A HOH 235 ? 1_555 90.4  ? 
7  O  ? G HOH . ? A HOH 234 ? 1_555 ZN ? C ZN . ? A ZN 101 ? 1_555 O ? G HOH . ? A HOH 235 ? 1_555 90.5  ? 
8  N7 ? A DG  6 ? A DG  6   ? 1_555 ZN ? C ZN . ? A ZN 101 ? 1_555 O ? G HOH . ? A HOH 201 ? 1_555 90.2  ? 
9  O  ? G HOH . ? A HOH 205 ? 1_555 ZN ? C ZN . ? A ZN 101 ? 1_555 O ? G HOH . ? A HOH 201 ? 1_555 87.1  ? 
10 O  ? G HOH . ? A HOH 234 ? 1_555 ZN ? C ZN . ? A ZN 101 ? 1_555 O ? G HOH . ? A HOH 201 ? 1_555 91.3  ? 
11 O  ? G HOH . ? A HOH 235 ? 1_555 ZN ? C ZN . ? A ZN 101 ? 1_555 O ? G HOH . ? A HOH 201 ? 1_555 88.2  ? 
12 N7 ? A DG  6 ? A DG  6   ? 1_555 ZN ? C ZN . ? A ZN 101 ? 1_555 O ? G HOH . ? A HOH 210 ? 1_555 92.2  ? 
13 O  ? G HOH . ? A HOH 205 ? 1_555 ZN ? C ZN . ? A ZN 101 ? 1_555 O ? G HOH . ? A HOH 210 ? 1_555 93.3  ? 
14 O  ? G HOH . ? A HOH 234 ? 1_555 ZN ? C ZN . ? A ZN 101 ? 1_555 O ? G HOH . ? A HOH 210 ? 1_555 88.4  ? 
15 O  ? G HOH . ? A HOH 235 ? 1_555 ZN ? C ZN . ? A ZN 101 ? 1_555 O ? G HOH . ? A HOH 210 ? 1_555 89.3  ? 
16 O  ? G HOH . ? A HOH 201 ? 1_555 ZN ? C ZN . ? A ZN 101 ? 1_555 O ? G HOH . ? A HOH 210 ? 1_555 177.5 ? 
# 
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 2013-06-05 
2 'Structure model' 1 1 2017-09-27 
# 
_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' Advisory          
2 2 'Structure model' 'Data collection' 
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1 2 'Structure model' diffrn_detector              
2 2 'Structure model' pdbx_unobs_or_zero_occ_atoms 
# 
_pdbx_audit_revision_item.ordinal             1 
_pdbx_audit_revision_item.revision_ordinal    2 
_pdbx_audit_revision_item.data_content_type   'Structure model' 
_pdbx_audit_revision_item.item                '_diffrn_detector.detector' 
# 
loop_
_software.name 
_software.classification 
_software.version 
_software.citation_id 
_software.pdbx_ordinal 
MAR345dtb 'data collection' . ? 1 
PHASER    phasing           . ? 2 
SHELXL-97 refinement        . ? 3 
XDS       'data reduction'  . ? 4 
XDS       'data scaling'    . ? 5 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   N7 
_pdbx_validate_close_contact.auth_asym_id_1   A 
_pdbx_validate_close_contact.auth_comp_id_1   DG 
_pdbx_validate_close_contact.auth_seq_id_1    4 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   O 
_pdbx_validate_close_contact.auth_asym_id_2   A 
_pdbx_validate_close_contact.auth_comp_id_2   HOH 
_pdbx_validate_close_contact.auth_seq_id_2    232 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             2.16 
# 
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 N7    A DG 2  ? ? C8    A DG 2  ? ? 1.265 1.305 -0.040 0.006 N 
2 1 N7    A DG 6  ? ? C8    A DG 6  ? ? 1.341 1.305 0.036  0.006 N 
3 1 "C3'" B DG 12 ? B "C2'" B DG 12 ? ? 1.451 1.516 -0.065 0.008 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 "C3'" A DC 1  ? ? "O3'" A DC 1  ? B P     A DG 2  ? B 110.53 119.70 -9.17  1.20 Y 
2 1 "O3'" A DC 1  ? B P     A DG 2  ? B OP1   A DG 2  ? B 126.29 110.50 15.79  1.10 Y 
3 1 "O5'" A DG 2  ? B "C5'" A DG 2  ? ? "C4'" A DG 2  ? ? 94.26  109.40 -15.14 0.80 N 
4 1 "O4'" A DC 3  ? ? "C4'" A DC 3  ? ? "C3'" A DC 3  ? A 110.00 106.00 4.00   0.60 N 
5 1 "C5'" A DC 3  ? ? "C4'" A DC 3  ? ? "C3'" A DC 3  ? B 127.33 115.70 11.63  1.20 N 
6 1 "C3'" A DC 3  ? B "C2'" A DC 3  ? ? "C1'" A DC 3  ? ? 94.79  102.40 -7.61  0.80 N 
7 1 "O5'" A DG 4  ? A "C5'" A DG 4  ? ? "C4'" A DG 4  ? ? 102.12 109.40 -7.28  0.80 N 
8 1 "C5'" B DG 12 ? ? "C4'" B DG 12 ? ? "C3'" B DG 12 ? A 134.12 115.70 18.42  1.20 N 
9 1 "C4'" B DG 12 ? ? "C3'" B DG 12 ? A "O3'" B DG 12 ? A 125.74 112.30 13.44  2.00 N 
# 
_ndb_struct_conf_na.entry_id   4HIF 
_ndb_struct_conf_na.feature    'z-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 6 1_555 -0.306 -0.151 0.049  1.014  4.461  0.616 1 A_DC1:DG12_B A 1 ? B 12 ? 19 1 
1 A DG 2 1_555 B DC 5 1_555 0.319  -0.112 0.007  -2.983 -4.493 1.804 2 A_DG2:DC11_B A 2 ? B 11 ? 19 1 
1 A DC 3 1_555 B DG 4 1_555 -0.225 -0.137 -0.074 10.879 -7.718 1.299 3 A_DC3:DG10_B A 3 ? B 10 ? 19 1 
1 A DG 4 1_555 B DC 3 1_555 0.268  -0.113 0.068  -9.983 -4.674 1.505 4 A_DG4:DC9_B  A 4 ? B 9  ? 19 1 
1 A DC 5 1_555 B DG 2 1_555 -0.142 -0.123 0.018  2.410  0.399  2.510 5 A_DC5:DG8_B  A 5 ? B 8  ? 19 1 
1 A DG 6 1_555 B DC 1 1_555 0.188  -0.179 0.067  -1.486 5.948  2.242 6 A_DG6:DC7_B  A 6 ? B 7  ? 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 6 1_555 A DG 2 1_555 B DC 5 1_555 -0.422 5.629  3.555 -2.672 -1.257 -12.298 -23.850 -5.538 3.926 5.759  
-12.241 -12.646 1 AA_DC1DG2:DC11DG12_BB A 1 ? B 12 ? A 2 ? B 11 ? 
1 A DG 2 1_555 B DC 5 1_555 A DC 3 1_555 B DG 4 1_555 -0.176 -1.070 3.241 -0.628 -2.719 -50.333 1.446   -0.251 3.181 3.194  -0.738 
-50.405 2 AA_DG2DC3:DG10DC11_BB A 2 ? B 11 ? A 3 ? B 10 ? 
1 A DC 3 1_555 B DG 4 1_555 A DG 4 1_555 B DC 3 1_555 -0.133 5.329  4.029 0.101  -5.434 -2.678  11.885  -0.104 6.563 63.773 1.186 
-6.058  3 AA_DC3DG4:DC9DG10_BB  A 3 ? B 10 ? A 4 ? B 9  ? 
1 A DG 4 1_555 B DC 3 1_555 A DC 5 1_555 B DG 2 1_555 0.045  -0.863 3.204 0.749  -2.362 -52.314 1.129   0.099  3.164 2.678  0.849 
-52.369 4 AA_DG4DC5:DG8DC9_BB   A 4 ? B 9  ? A 5 ? B 8  ? 
1 A DC 5 1_555 B DG 2 1_555 A DG 6 1_555 B DC 1 1_555 0.009  5.320  3.555 2.276  -0.478 -9.639  -29.758 4.936  3.710 2.792  13.290 
-9.914  5 AA_DC5DG6:DC7DG8_BB   A 5 ? B 8  ? A 6 ? B 7  ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'ZINC ION'                         ZN  
3 'CHLORIDE ION'                     CL  
4 'SPERMINE (FULLY PROTONATED FORM)' SPK 
5 water                              HOH 
# 
