data_4HIG
# 
_entry.id   4HIG 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.281 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
PDB   4HIG         
NDB   NA2072       
RCSB  RCSB075506   
WWPDB D_1000075506 
# 
loop_
_pdbx_database_related.db_name 
_pdbx_database_related.db_id 
_pdbx_database_related.details 
_pdbx_database_related.content_type 
PDB 3G2R . unspecified 
PDB 3FQ5 . unspecified 
PDB 1ICK . unspecified 
PDB 1D39 . unspecified 
PDB 3P4J . unspecified 
PDB 4HIF . unspecified 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.entry_id                        4HIG 
_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           4HIG 
_cell.length_a           17.732 
_cell.length_b           31.436 
_cell.length_c           43.935 
_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                         4HIG 
_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 'SPERMINE (FULLY PROTONATED FORM)' 206.372  1  ? ? ? ? 
3 non-polymer syn 'MANGANESE (II) ION'               54.938   1  ? ? ? ? 
4 water       nat water                              18.015   92 ? ? ? ? 
# 
_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                    4HIG 
_struct_ref.pdbx_db_accession          4HIG 
_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 4HIG A 1 ? 6 ? 4HIG 1 ? 6  ? 1 6  
2 1 4HIG B 1 ? 6 ? 4HIG 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 
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  
MN  non-polymer   . 'MANGANESE (II) ION'                 ? 'Mn 2'            54.938  
SPK non-polymer   . 'SPERMINE (FULLY PROTONATED FORM)'   ? 'C10 H30 N4 4'    206.372 
# 
_exptl.entry_id          4HIG 
_exptl.method            'X-RAY DIFFRACTION' 
_exptl.crystals_number   2 
# 
_exptl_crystal.id                    1 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_Matthews      1.59 
_exptl_crystal.density_percent_sol   22.70 
_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    
;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 MN2+ SOAKING, A CRYSTAL WAS PLACED IN 0.002 ML OF THE RESERVOIR SOLUTION MIXED WITH 0.002 ML OF 5 MM MNCL2 FOR ONE WEEK.
;
# 
loop_
_diffrn.id 
_diffrn.ambient_temp 
_diffrn.ambient_temp_details 
_diffrn.crystal_id 
1 100 ? 1 
2 100 ? 1 
# 
loop_
_diffrn_detector.diffrn_id 
_diffrn_detector.detector 
_diffrn_detector.type 
_diffrn_detector.pdbx_collection_date 
_diffrn_detector.details 
1 CCD 'MAR CCD 165 mm' 2009-12-04 ? 
2 CCD 'RAYONIX MX-225' 2012-03-16 ? 
# 
loop_
_diffrn_radiation.diffrn_id 
_diffrn_radiation.wavelength_id 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l 
_diffrn_radiation.monochromator 
_diffrn_radiation.pdbx_diffrn_protocol 
_diffrn_radiation.pdbx_scattering_type 
1 1 M 'SI 111 CHANNEL' 'SINGLE WAVELENGTH' x-ray 
2 1 M 'SI 111 CHANNEL' 'SINGLE WAVELENGTH' x-ray 
# 
loop_
_diffrn_radiation_wavelength.id 
_diffrn_radiation_wavelength.wavelength 
_diffrn_radiation_wavelength.wt 
1 0.8010 1.0 
2 0.9184 1.0 
# 
loop_
_diffrn_source.diffrn_id 
_diffrn_source.source 
_diffrn_source.type 
_diffrn_source.pdbx_synchrotron_site 
_diffrn_source.pdbx_synchrotron_beamline 
_diffrn_source.pdbx_wavelength 
_diffrn_source.pdbx_wavelength_list 
1 SYNCHROTRON 'EMBL/DESY, HAMBURG BEAMLINE X12' 'EMBL/DESY, Hamburg' X12  0.8010 ? 
2 SYNCHROTRON 'BESSY BEAMLINE 14.2'             BESSY                14.2 0.9184 ? 
# 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.entry_id                     4HIG 
_reflns.observed_criterion_sigma_I   -3.000 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             25.57 
_reflns.d_resolution_high            0.75 
_reflns.number_obs                   47730 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         79.9 
_reflns.pdbx_Rmerge_I_obs            0.05300 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        19.2800 
_reflns.B_iso_Wilson_estimate        4.756 
_reflns.pdbx_redundancy              3.280 
_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             0.75 
_reflns_shell.d_res_low              0.77 
_reflns_shell.percent_possible_all   10.6 
_reflns_shell.Rmerge_I_obs           0.03800 
_reflns_shell.pdbx_Rsym_value        ? 
_reflns_shell.meanI_over_sigI_obs    11.390 
_reflns_shell.pdbx_redundancy        1.15 
_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                                 4HIG 
_refine.pdbx_diffrn_id                           1 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.ls_number_reflns_obs                     ? 
_refine.ls_number_reflns_all                     47730 
_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                             25.57 
_refine.ls_d_res_high                            0.75 
_refine.ls_percent_reflns_obs                    79.9 
_refine.ls_R_factor_obs                          0.071 
_refine.ls_R_factor_all                          0.071 
_refine.ls_R_factor_R_work                       ? 
_refine.ls_R_factor_R_free                       0.081 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_percent_reflns_R_free                 2.11 
_refine.ls_number_reflns_R_free                  1009 
_refine.ls_number_parameters                     3409 
_refine.ls_number_restraints                     1139 
_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 0.1295 TO 0.0903. 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       ? 
_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                        4HIG 
_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      1 
_refine_analyze.occupancy_sum_hydrogen          164.00 
_refine_analyze.occupancy_sum_non_hydrogen      332.97 
# 
_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         15 
_refine_hist.number_atoms_solvent             92 
_refine_hist.number_atoms_total               347 
_refine_hist.d_res_high                       0.75 
_refine_hist.d_res_low                        25.57 
# 
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               0.012 ? ? ? 'X-RAY DIFFRACTION' ? 
s_angle_d              0.029 ? ? ? '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  0.028 ? ? ? 'X-RAY DIFFRACTION' ? 
s_rigid_bond_adp_cmpnt 0.004 ? ? ? 'X-RAY DIFFRACTION' ? 
s_similar_adp_cmpnt    0.037 ? ? ? 'X-RAY DIFFRACTION' ? 
s_approx_iso_adps      0.069 ? ? ? 'X-RAY DIFFRACTION' ? 
# 
_pdbx_refine.pdbx_refine_id                              'X-RAY DIFFRACTION' 
_pdbx_refine.entry_id                                    4HIG 
_pdbx_refine.R_factor_all_no_cutoff                      0.071 
_pdbx_refine.R_factor_obs_no_cutoff                      0.071 
_pdbx_refine.free_R_factor_no_cutoff                     0.081 
_pdbx_refine.free_R_error_no_cutoff                      ? 
_pdbx_refine.free_R_val_test_set_size_perc_no_cutoff     2.11 
_pdbx_refine.free_R_val_test_set_ct_no_cutoff            1009 
_pdbx_refine.R_factor_all_4sig_cutoff                    0.071 
_pdbx_refine.R_factor_obs_4sig_cutoff                    0.071 
_pdbx_refine.free_R_factor_4sig_cutoff                   0.079 
_pdbx_refine.free_R_val_test_set_size_perc_4sig_cutoff   2.11 
_pdbx_refine.free_R_val_test_set_ct_4sig_cutoff          1005 
_pdbx_refine.number_reflns_obs_4sig_cutoff               47641 
# 
_struct.entry_id                  4HIG 
_struct.title                     'Ultrahigh-resolution crystal structure of Z-DNA in complex with Mn2+ ion.' 
_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        4HIG 
_struct_keywords.pdbx_keywords   DNA 
_struct_keywords.text            'self-complementary DNA, Z-DNA, 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 3 ? 
E N N 4 ? 
F N N 4 ? 
# 
_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 ? ? D MN . MN ? ? ? 1_555 E HOH . O  B ? A MN 102 A HOH 250 1_555 ? ? ? ? ? ? ?            1.947 ? 
metalc2  metalc ? ? D MN . MN ? ? ? 1_555 E HOH . O  A ? A MN 102 A HOH 203 1_555 ? ? ? ? ? ? ?            2.076 ? 
metalc3  metalc ? ? D MN . MN ? ? ? 1_555 E HOH . O  ? ? A MN 102 A HOH 252 1_555 ? ? ? ? ? ? ?            2.138 ? 
metalc4  metalc ? ? D MN . MN ? ? ? 1_555 E HOH . O  ? ? A MN 102 A HOH 251 1_555 ? ? ? ? ? ? ?            2.159 ? 
metalc5  metalc ? ? D MN . MN ? ? ? 1_555 E HOH . O  A ? A MN 102 A HOH 216 1_555 ? ? ? ? ? ? ?            2.186 ? 
metalc6  metalc ? ? D MN . MN ? ? ? 1_555 E HOH . O  A ? A MN 102 A HOH 250 1_555 ? ? ? ? ? ? ?            2.207 ? 
metalc7  metalc ? ? D MN . MN ? ? ? 1_555 E HOH . O  B ? A MN 102 A HOH 216 1_555 ? ? ? ? ? ? ?            2.256 ? 
metalc8  metalc ? ? A DG 6 N7 ? ? ? 1_555 D MN  . MN ? ? A DG 6   A MN  102 1_555 ? ? ? ? ? ? ?            2.258 ? 
metalc9  metalc ? ? D MN . MN ? ? ? 1_555 E HOH . O  B ? A MN 102 A HOH 203 1_555 ? ? ? ? ? ? ?            2.310 ? 
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 ? ? ? ? 17 'BINDING SITE FOR RESIDUE SPK A 101' 
AC2 Software ? ? ? ? 6  'BINDING SITE FOR RESIDUE MN A 102'  
# 
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 17 DG  A 2 ? DG  A 2   . ? 4_456 ? 
2  AC1 17 DG  A 4 ? DG  A 4   . ? 1_555 ? 
3  AC1 17 DG  A 4 ? DG  A 4   . ? 3_746 ? 
4  AC1 17 DC  A 5 ? DC  A 5   . ? 1_555 ? 
5  AC1 17 DG  A 6 ? DG  A 6   . ? 1_555 ? 
6  AC1 17 DG  A 6 ? DG  A 6   . ? 3_646 ? 
7  AC1 17 HOH E . ? HOH A 207 . ? 1_555 ? 
8  AC1 17 HOH E . ? HOH A 214 . ? 3_646 ? 
9  AC1 17 HOH E . ? HOH A 233 . ? 3_746 ? 
10 AC1 17 DC  B 1 ? DC  B 7   . ? 3_746 ? 
11 AC1 17 DG  B 2 ? DG  B 8   . ? 3_746 ? 
12 AC1 17 DC  B 3 ? DC  B 9   . ? 3_646 ? 
13 AC1 17 HOH F . ? HOH B 111 . ? 3_646 ? 
14 AC1 17 HOH F . ? HOH B 112 . ? 3_646 ? 
15 AC1 17 HOH F . ? HOH B 113 . ? 3_746 ? 
16 AC1 17 HOH F . ? HOH B 123 . ? 3_646 ? 
17 AC1 17 HOH F . ? HOH B 126 . ? 3_646 ? 
18 AC2 6  DG  A 6 ? DG  A 6   . ? 1_555 ? 
19 AC2 6  HOH E . ? HOH A 203 . ? 1_555 ? 
20 AC2 6  HOH E . ? HOH A 216 . ? 1_555 ? 
21 AC2 6  HOH E . ? HOH A 250 . ? 1_555 ? 
22 AC2 6  HOH E . ? HOH A 251 . ? 1_555 ? 
23 AC2 6  HOH E . ? HOH A 252 . ? 1_555 ? 
# 
_database_PDB_matrix.entry_id          4HIG 
_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                    4HIG 
_atom_sites.fract_transf_matrix[1][1]   0.056395 
_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]   0.031811 
_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]   0.022761 
_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  
MN 
N  
O  
P  
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1   O  "O5'" . DC  A 1 1 ? 19.115 17.916 17.836 1.00 2.27  ? 1   DC  A "O5'" 1 
ATOM   2   C  "C5'" . DC  A 1 1 ? 19.410 16.927 18.815 1.00 1.96  ? 1   DC  A "C5'" 1 
ATOM   3   C  "C4'" . DC  A 1 1 ? 18.323 15.896 18.976 1.00 1.86  ? 1   DC  A "C4'" 1 
ATOM   4   O  "O4'" . DC  A 1 1 ? 17.143 16.516 19.502 1.00 2.43  ? 1   DC  A "O4'" 1 
ATOM   5   C  "C3'" . DC  A 1 1 ? 17.887 15.186 17.683 1.00 2.22  ? 1   DC  A "C3'" 1 
ATOM   6   O  "O3'" . DC  A 1 1 ? 17.524 13.837 17.942 1.00 2.61  ? 1   DC  A "O3'" 1 
ATOM   7   C  "C2'" . DC  A 1 1 ? 16.620 15.931 17.302 1.00 2.40  ? 1   DC  A "C2'" 1 
ATOM   8   C  "C1'" . DC  A 1 1 ? 16.032 16.280 18.670 1.00 2.26  ? 1   DC  A "C1'" 1 
ATOM   9   N  N1    . DC  A 1 1 ? 15.230 17.493 18.640 1.00 2.20  ? 1   DC  A N1    1 
ATOM   10  C  C2    . DC  A 1 1 ? 13.847 17.393 18.479 1.00 2.23  ? 1   DC  A C2    1 
ATOM   11  O  O2    . DC  A 1 1 ? 13.342 16.266 18.366 1.00 3.02  ? 1   DC  A O2    1 
ATOM   12  N  N3    . DC  A 1 1 ? 13.108 18.521 18.454 1.00 2.16  ? 1   DC  A N3    1 
ATOM   13  C  C4    . DC  A 1 1 ? 13.695 19.714 18.563 1.00 2.32  ? 1   DC  A C4    1 
ATOM   14  N  N4    . DC  A 1 1 ? 12.927 20.802 18.557 1.00 2.51  ? 1   DC  A N4    1 
ATOM   15  C  C5    . DC  A 1 1 ? 15.114 19.830 18.671 1.00 2.98  ? 1   DC  A C5    1 
ATOM   16  C  C6    . DC  A 1 1 ? 15.825 18.700 18.708 1.00 2.78  ? 1   DC  A C6    1 
ATOM   17  P  P     . DG  A 1 2 ? 18.583 12.639 17.852 1.00 2.81  ? 2   DG  A P     1 
ATOM   18  O  OP1   . DG  A 1 2 ? 19.549 12.833 16.748 1.00 3.53  ? 2   DG  A OP1   1 
ATOM   19  O  OP2   . DG  A 1 2 ? 17.748 11.408 17.834 1.00 4.75  ? 2   DG  A OP2   1 
ATOM   20  O  "O5'" . DG  A 1 2 ? 19.462 12.746 19.167 1.00 2.76  ? 2   DG  A "O5'" 1 
ATOM   21  C  "C5'" . DG  A 1 2 ? 18.882 12.585 20.454 1.00 2.98  ? 2   DG  A "C5'" 1 
ATOM   22  C  "C4'" . DG  A 1 2 ? 19.917 12.999 21.463 1.00 2.95  ? 2   DG  A "C4'" 1 
ATOM   23  O  "O4'" . DG  A 1 2 ? 20.291 14.358 21.238 1.00 2.56  ? 2   DG  A "O4'" 1 
ATOM   24  C  "C3'" . DG  A 1 2 ? 19.433 12.956 22.903 1.00 3.36  ? 2   DG  A "C3'" 1 
ATOM   25  O  "O3'" . DG  A 1 2 ? 19.660 11.640 23.450 1.00 4.82  ? 2   DG  A "O3'" 1 
ATOM   26  C  "C2'" . DG  A 1 2 ? 20.248 14.020 23.570 1.00 3.59  ? 2   DG  A "C2'" 1 
ATOM   27  C  "C1'" . DG  A 1 2 ? 20.609 15.002 22.460 1.00 2.95  ? 2   DG  A "C1'" 1 
ATOM   28  N  N9    . DG  A 1 2 ? 19.921 16.274 22.499 1.00 2.67  ? 2   DG  A N9    1 
ATOM   29  C  C8    . DG  A 1 2 ? 20.500 17.512 22.416 1.00 3.27  ? 2   DG  A C8    1 
ATOM   30  N  N7    . DG  A 1 2 ? 19.648 18.493 22.332 1.00 3.14  ? 2   DG  A N7    1 
ATOM   31  C  C5    . DG  A 1 2 ? 18.406 17.861 22.343 1.00 2.31  ? 2   DG  A C5    1 
ATOM   32  C  C6    . DG  A 1 2 ? 17.105 18.403 22.280 1.00 2.18  ? 2   DG  A C6    1 
ATOM   33  O  O6    . DG  A 1 2 ? 16.803 19.600 22.235 1.00 2.64  ? 2   DG  A O6    1 
ATOM   34  N  N1    . DG  A 1 2 ? 16.143 17.406 22.289 1.00 1.81  ? 2   DG  A N1    1 
ATOM   35  C  C2    . DG  A 1 2 ? 16.391 16.070 22.331 1.00 1.83  ? 2   DG  A C2    1 
ATOM   36  N  N2    . DG  A 1 2 ? 15.334 15.259 22.283 1.00 2.13  ? 2   DG  A N2    1 
ATOM   37  N  N3    . DG  A 1 2 ? 17.600 15.540 22.434 1.00 2.01  ? 2   DG  A N3    1 
ATOM   38  C  C4    . DG  A 1 2 ? 18.557 16.493 22.429 1.00 2.09  ? 2   DG  A C4    1 
ATOM   39  P  P     . DC  A 1 3 ? 18.439 10.694 23.858 1.00 4.65  ? 3   DC  A P     1 
ATOM   40  O  OP1   . DC  A 1 3 ? 19.051 9.375  24.206 1.00 7.66  ? 3   DC  A OP1   1 
ATOM   41  O  OP2   . DC  A 1 3 ? 17.409 10.698 22.830 1.00 5.76  ? 3   DC  A OP2   1 
ATOM   42  O  "O5'" . DC  A 1 3 ? 17.951 11.426 25.171 1.00 4.09  ? 3   DC  A "O5'" 1 
ATOM   43  C  "C5'" . DC  A 1 3 ? 17.347 10.698 26.281 1.00 3.31  ? 3   DC  A "C5'" 1 
ATOM   44  C  "C4'" . DC  A 1 3 ? 15.960 11.189 26.549 1.00 2.97  ? 3   DC  A "C4'" 1 
ATOM   45  O  "O4'" . DC  A 1 3 ? 15.996 12.538 26.989 1.00 3.15  ? 3   DC  A "O4'" 1 
ATOM   46  C  "C3'" . DC  A 1 3 ? 15.001 11.160 25.343 1.00 3.36  ? 3   DC  A "C3'" 1 
ATOM   47  O  "O3'" . DC  A 1 3 ? 13.671 10.859 25.804 1.00 4.14  ? 3   DC  A "O3'" 1 
ATOM   48  C  "C2'" . DC  A 1 3 ? 14.993 12.601 24.895 1.00 3.58  ? 3   DC  A "C2'" 1 
ATOM   49  C  "C1'" . DC  A 1 3 ? 15.142 13.340 26.229 1.00 2.99  ? 3   DC  A "C1'" 1 
ATOM   50  N  N1    . DC  A 1 3 ? 15.753 14.657 26.074 1.00 2.74  ? 3   DC  A N1    1 
ATOM   51  C  C2    . DC  A 1 3 ? 14.914 15.756 25.848 1.00 2.51  ? 3   DC  A C2    1 
ATOM   52  O  O2    . DC  A 1 3 ? 13.699 15.582 25.773 1.00 3.00  ? 3   DC  A O2    1 
ATOM   53  N  N3    . DC  A 1 3 ? 15.483 16.965 25.711 1.00 2.35  ? 3   DC  A N3    1 
ATOM   54  C  C4    . DC  A 1 3 ? 16.821 17.105 25.746 1.00 2.49  ? 3   DC  A C4    1 
ATOM   55  N  N4    . DC  A 1 3 ? 17.323 18.308 25.588 1.00 3.04  ? 3   DC  A N4    1 
ATOM   56  C  C5    . DC  A 1 3 ? 17.672 15.989 25.935 1.00 3.08  ? 3   DC  A C5    1 
ATOM   57  C  C6    . DC  A 1 3 ? 17.080 14.791 26.107 1.00 3.21  ? 3   DC  A C6    1 
ATOM   58  P  P     . DG  A 1 4 ? 13.081 9.378  25.742 1.00 4.94  ? 4   DG  A P     1 
ATOM   59  O  OP1   . DG  A 1 4 ? 13.495 8.692  24.489 1.00 7.54  ? 4   DG  A OP1   1 
ATOM   60  O  OP2   . DG  A 1 4 ? 11.651 9.595  26.104 1.00 9.78  ? 4   DG  A OP2   1 
ATOM   61  O  "O5'" . DG  A 1 4 ? 13.838 8.591  26.894 1.00 3.56  ? 4   DG  A "O5'" 1 
ATOM   62  C  "C5'" . DG  A 1 4 ? 13.560 8.921  28.263 1.00 3.01  ? 4   DG  A "C5'" 1 
ATOM   63  C  "C4'" . DG  A 1 4 ? 14.540 8.198  29.122 1.00 2.17  ? 4   DG  A "C4'" 1 
ATOM   64  O  "O4'" . DG  A 1 4 ? 15.864 8.604  28.784 1.00 2.13  ? 4   DG  A "O4'" 1 
ATOM   65  C  "C3'" . DG  A 1 4 ? 14.383 8.479  30.602 1.00 1.77  ? 4   DG  A "C3'" 1 
ATOM   66  O  "O3'" . DG  A 1 4 ? 13.480 7.499  31.112 1.00 2.01  ? 4   DG  A "O3'" 1 
ATOM   67  C  "C2'" . DG  A 1 4 ? 15.800 8.361  31.147 1.00 2.35  ? 4   DG  A "C2'" 1 
ATOM   68  C  "C1'" . DG  A 1 4 ? 16.693 8.638  29.938 1.00 2.21  ? 4   DG  A "C1'" 1 
ATOM   69  N  N9    . DG  A 1 4 ? 17.384 9.916  29.952 1.00 2.06  ? 4   DG  A N9    1 
ATOM   70  C  C8    . DG  A 1 4 ? 18.753 10.062 29.905 1.00 2.69  ? 4   DG  A C8    1 
ATOM   71  N  N7    . DG  A 1 4 ? 19.140 11.304 29.859 1.00 2.76  ? 4   DG  A N7    1 
ATOM   72  C  C5    . DG  A 1 4 ? 17.947 12.026 29.861 1.00 2.01  ? 4   DG  A C5    1 
ATOM   73  C  C6    . DG  A 1 4 ? 17.734 13.422 29.771 1.00 2.14  ? 4   DG  A C6    1 
ATOM   74  O  O6    . DG  A 1 4 ? 18.609 14.305 29.657 1.00 2.82  ? 4   DG  A O6    1 
ATOM   75  N  N1    . DG  A 1 4 ? 16.399 13.735 29.777 1.00 1.89  ? 4   DG  A N1    1 
ATOM   76  C  C2    . DG  A 1 4 ? 15.376 12.822 29.815 1.00 1.79  ? 4   DG  A C2    1 
ATOM   77  N  N2    . DG  A 1 4 ? 14.140 13.338 29.770 1.00 2.04  ? 4   DG  A N2    1 
ATOM   78  N  N3    . DG  A 1 4 ? 15.548 11.516 29.918 1.00 1.77  ? 4   DG  A N3    1 
ATOM   79  C  C4    . DG  A 1 4 ? 16.866 11.187 29.923 1.00 1.70  ? 4   DG  A C4    1 
ATOM   80  P  P     . DC  A 1 5 ? 13.040 7.445  32.639 1.00 1.82  ? 5   DC  A P     1 
ATOM   81  O  OP1   . DC  A 1 5 ? 14.211 7.390  33.535 1.00 2.91  ? 5   DC  A OP1   1 
ATOM   82  O  OP2   . DC  A 1 5 ? 12.045 6.336  32.726 1.00 2.61  ? 5   DC  A OP2   1 
ATOM   83  O  "O5'" . DC  A 1 5 ? 12.301 8.859  32.767 1.00 1.77  ? 5   DC  A "O5'" 1 
ATOM   84  C  "C5'" . DC  A 1 5 ? 11.517 9.107  33.940 1.00 1.66  ? 5   DC  A "C5'" 1 
ATOM   85  C  "C4'" . DC  A 1 5 ? 11.123 10.568 33.959 1.00 1.33  ? 5   DC  A "C4'" 1 
ATOM   86  O  "O4'" . DC  A 1 5 ? 12.266 11.350 34.341 1.00 1.43  ? 5   DC  A "O4'" 1 
ATOM   87  C  "C3'" . DC  A 1 5 ? 10.651 11.109 32.617 1.00 1.47  ? 5   DC  A "C3'" 1 
ATOM   88  O  "O3'" . DC  A 1 5 ? 9.560  12.045 32.808 1.00 1.66  ? 5   DC  A "O3'" 1 
ATOM   89  C  "C2'" . DC  A 1 5 ? 11.847 11.914 32.119 1.00 1.36  ? 5   DC  A "C2'" 1 
ATOM   90  C  "C1'" . DC  A 1 5 ? 12.495 12.382 33.411 1.00 1.28  ? 5   DC  A "C1'" 1 
ATOM   91  N  N1    . DC  A 1 5 ? 13.949 12.567 33.330 1.00 1.25  ? 5   DC  A N1    1 
ATOM   92  C  C2    . DC  A 1 5 ? 14.473 13.836 33.130 1.00 1.20  ? 5   DC  A C2    1 
ATOM   93  O  O2    . DC  A 1 5 ? 13.708 14.807 33.015 1.00 1.66  ? 5   DC  A O2    1 
ATOM   94  N  N3    . DC  A 1 5 ? 15.823 13.987 33.070 1.00 1.29  ? 5   DC  A N3    1 
ATOM   95  C  C4    . DC  A 1 5 ? 16.624 12.922 33.196 1.00 1.32  ? 5   DC  A C4    1 
ATOM   96  N  N4    . DC  A 1 5 ? 17.932 13.116 33.126 1.00 1.69  ? 5   DC  A N4    1 
ATOM   97  C  C5    . DC  A 1 5 ? 16.107 11.618 33.387 1.00 1.70  ? 5   DC  A C5    1 
ATOM   98  C  C6    . DC  A 1 5 ? 14.776 11.478 33.447 1.00 1.50  ? 5   DC  A C6    1 
ATOM   99  P  P     . DG  A 1 6 ? 8.046  11.543 32.710 1.00 1.60  ? 6   DG  A P     1 
ATOM   100 O  OP1   . DG  A 1 6 ? 7.866  10.583 31.593 1.00 2.30  ? 6   DG  A OP1   1 
ATOM   101 O  OP2   . DG  A 1 6 ? 7.242  12.800 32.729 1.00 2.27  ? 6   DG  A OP2   1 
ATOM   102 O  "O5'" . DG  A 1 6 ? 7.791  10.689 34.020 1.00 1.84  ? 6   DG  A "O5'" 1 
ATOM   103 C  "C5'" . DG  A 1 6 ? 7.611  11.309 35.288 1.00 1.78  ? 6   DG  A "C5'" 1 
ATOM   104 C  "C4'" . DG  A 1 6 ? 7.455  10.219 36.325 1.00 1.49  ? 6   DG  A "C4'" 1 
ATOM   105 O  "O4'" . DG  A 1 6 ? 8.685  9.467  36.390 1.00 1.74  ? 6   DG  A "O4'" 1 
ATOM   106 C  "C3'" . DG  A 1 6 ? 7.191  10.734 37.728 1.00 1.65  ? 6   DG  A "C3'" 1 
ATOM   107 O  "O3'" . DG  A 1 6 ? 6.309  9.831  38.401 1.00 2.05  ? 6   DG  A "O3'" 1 
ATOM   108 C  "C2'" . DG  A 1 6 ? 8.562  10.702 38.380 1.00 1.76  ? 6   DG  A "C2'" 1 
ATOM   109 C  "C1'" . DG  A 1 6 ? 9.195  9.495  37.717 1.00 1.62  ? 6   DG  A "C1'" 1 
ATOM   110 N  N9    . DG  A 1 6 ? 10.639 9.531  37.635 1.00 1.48  ? 6   DG  A N9    1 
ATOM   111 C  C8    . DG  A 1 6 ? 11.450 8.432  37.773 1.00 1.75  ? 6   DG  A C8    1 
ATOM   112 N  N7    . DG  A 1 6 ? 12.717 8.701  37.657 1.00 1.56  ? 6   DG  A N7    1 
ATOM   113 C  C5    . DG  A 1 6 ? 12.762 10.074 37.405 1.00 1.45  ? 6   DG  A C5    1 
ATOM   114 C  C6    . DG  A 1 6 ? 13.857 10.955 37.230 1.00 1.63  ? 6   DG  A C6    1 
ATOM   115 O  O6    . DG  A 1 6 ? 15.060 10.662 37.288 1.00 2.74  ? 6   DG  A O6    1 
ATOM   116 N  N1    . DG  A 1 6 ? 13.468 12.252 36.999 1.00 1.36  ? 6   DG  A N1    1 
ATOM   117 C  C2    . DG  A 1 6 ? 12.159 12.664 36.905 1.00 1.28  ? 6   DG  A C2    1 
ATOM   118 N  N2    . DG  A 1 6 ? 11.954 13.942 36.592 1.00 1.72  ? 6   DG  A N2    1 
ATOM   119 N  N3    . DG  A 1 6 ? 11.116 11.872 37.126 1.00 1.40  ? 6   DG  A N3    1 
ATOM   120 C  C4    . DG  A 1 6 ? 11.492 10.601 37.378 1.00 1.31  ? 6   DG  A C4    1 
ATOM   121 O  "O5'" . DC  B 1 1 ? 19.499 18.652 36.946 1.00 3.52  ? 7   DC  B "O5'" 1 
ATOM   122 C  "C5'" . DC  B 1 1 ? 18.994 19.573 36.002 1.00 2.74  ? 7   DC  B "C5'" 1 
ATOM   123 C  "C4'" . DC  B 1 1 ? 17.477 19.566 35.911 1.00 1.97  ? 7   DC  B "C4'" 1 
ATOM   124 O  "O4'" . DC  B 1 1 ? 17.041 18.294 35.388 1.00 1.90  ? 7   DC  B "O4'" 1 
ATOM   125 C  "C3'" . DC  B 1 1 ? 16.735 19.756 37.215 1.00 2.09  ? 7   DC  B "C3'" 1 
ATOM   126 O  "O3'" . DC  B 1 1 ? 15.484 20.443 37.009 1.00 1.95  ? 7   DC  B "O3'" 1 
ATOM   127 C  "C2'" . DC  B 1 1 ? 16.401 18.348 37.645 1.00 1.97  ? 7   DC  B "C2'" 1 
ATOM   128 C  "C1'" . DC  B 1 1 ? 16.155 17.671 36.299 1.00 1.68  ? 7   DC  B "C1'" 1 
ATOM   129 N  N1    . DC  B 1 1 ? 16.454 16.238 36.290 1.00 1.44  ? 7   DC  B N1    1 
ATOM   130 C  C2    . DC  B 1 1 ? 15.429 15.313 36.416 1.00 1.48  ? 7   DC  B C2    1 
ATOM   131 O  O2    . DC  B 1 1 ? 14.253 15.704 36.485 1.00 1.77  ? 7   DC  B O2    1 
ATOM   132 N  N3    . DC  B 1 1 ? 15.728 14.001 36.494 1.00 1.35  ? 7   DC  B N3    1 
ATOM   133 C  C4    . DC  B 1 1 ? 17.003 13.594 36.438 1.00 1.40  ? 7   DC  B C4    1 
ATOM   134 N  N4    . DC  B 1 1 ? 17.270 12.310 36.540 1.00 1.67  ? 7   DC  B N4    1 
ATOM   135 C  C5    . DC  B 1 1 ? 18.080 14.537 36.258 1.00 1.70  ? 7   DC  B C5    1 
ATOM   136 C  C6    . DC  B 1 1 ? 17.755 15.819 36.213 1.00 1.63  ? 7   DC  B C6    1 
ATOM   137 P  P     . DG  B 1 2 ? 15.355 22.026 37.018 1.00 2.05  ? 8   DG  B P     1 
ATOM   138 O  OP1   . DG  B 1 2 ? 16.158 22.634 38.096 1.00 3.21  ? 8   DG  B OP1   1 
ATOM   139 O  OP2   . DG  B 1 2 ? 13.889 22.305 36.992 1.00 2.58  ? 8   DG  B OP2   1 
ATOM   140 O  "O5'" . DG  B 1 2 ? 16.008 22.506 35.656 1.00 1.91  ? 8   DG  B "O5'" 1 
ATOM   141 C  "C5'" . DG  B 1 2 ? 15.418 22.072 34.409 1.00 1.70  ? 8   DG  B "C5'" 1 
ATOM   142 C  "C4'" . DG  B 1 2 ? 16.284 22.505 33.274 1.00 1.67  ? 8   DG  B "C4'" 1 
ATOM   143 O  "O4'" . DG  B 1 2 ? 17.580 21.919 33.419 1.00 1.83  ? 8   DG  B "O4'" 1 
ATOM   144 C  "C3'" . DG  B 1 2 ? 15.762 22.034 31.933 1.00 1.61  ? 8   DG  B "C3'" 1 
ATOM   145 O  "O3'" . DG  B 1 2 ? 14.929 23.046 31.348 1.00 1.91  ? 8   DG  B "O3'" 1 
ATOM   146 C  "C2'" . DG  B 1 2 ? 17.025 21.834 31.105 1.00 1.96  ? 8   DG  B "C2'" 1 
ATOM   147 C  "C1'" . DG  B 1 2 ? 18.118 21.598 32.139 1.00 1.80  ? 8   DG  B "C1'" 1 
ATOM   148 N  N9    . DG  B 1 2 ? 18.594 20.225 32.196 1.00 1.79  ? 8   DG  B N9    1 
ATOM   149 C  C8    . DG  B 1 2 ? 19.910 19.853 32.234 1.00 2.21  ? 8   DG  B C8    1 
ATOM   150 N  N7    . DG  B 1 2 ? 20.070 18.565 32.392 1.00 2.23  ? 8   DG  B N7    1 
ATOM   151 C  C5    . DG  B 1 2 ? 18.783 18.056 32.473 1.00 1.60  ? 8   DG  B C5    1 
ATOM   152 C  C6    . DG  B 1 2 ? 18.324 16.732 32.656 1.00 1.61  ? 8   DG  B C6    1 
ATOM   153 O  O6    . DG  B 1 2 ? 19.015 15.708 32.776 1.00 2.41  ? 8   DG  B O6    1 
ATOM   154 N  N1    . DG  B 1 2 ? 16.937 16.669 32.685 1.00 1.45  ? 8   DG  B N1    1 
ATOM   155 C  C2    . DG  B 1 2 ? 16.099 17.749 32.618 1.00 1.24  ? 8   DG  B C2    1 
ATOM   156 N  N2    . DG  B 1 2 ? 14.791 17.506 32.740 1.00 1.77  ? 8   DG  B N2    1 
ATOM   157 N  N3    . DG  B 1 2 ? 16.515 18.992 32.421 1.00 1.57  ? 8   DG  B N3    1 
ATOM   158 C  C4    . DG  B 1 2 ? 17.859 19.080 32.367 1.00 1.52  ? 8   DG  B C4    1 
ATOM   159 P  P     . DC  B 1 3 ? 13.354 22.847 31.238 1.00 1.48  ? 9   DC  B P     1 
ATOM   160 O  OP1   . DC  B 1 3 ? 12.805 24.191 30.925 1.00 1.84  ? 9   DC  B OP1   1 
ATOM   161 O  OP2   . DC  B 1 3 ? 12.810 22.162 32.431 1.00 2.25  ? 9   DC  B OP2   1 
ATOM   162 O  "O5'" . DC  B 1 3 ? 13.260 21.897 29.973 1.00 2.43  ? 9   DC  B "O5'" 1 
ATOM   163 C  "C5'" . DC  B 1 3 ? 12.246 22.033 28.974 1.00 1.83  ? 9   DC  B "C5'" 1 
ATOM   164 C  "C4'" . DC  B 1 3 ? 11.665 20.674 28.659 1.00 1.58  ? 9   DC  B "C4'" 1 
ATOM   165 O  "O4'" . DC  B 1 3 ? 12.681 19.827 28.095 1.00 1.90  ? 9   DC  B "O4'" 1 
ATOM   166 C  "C3'" . DC  B 1 3 ? 11.091 19.933 29.865 1.00 1.63  ? 9   DC  B "C3'" 1 
ATOM   167 O  "O3'" . DC  B 1 3 ? 9.953  19.150 29.472 1.00 1.96  ? 9   DC  B "O3'" 1 
ATOM   168 C  "C2'" . DC  B 1 3 ? 12.206 18.949 30.210 1.00 1.91  ? 9   DC  B "C2'" 1 
ATOM   169 C  "C1'" . DC  B 1 3 ? 12.785 18.622 28.841 1.00 1.77  ? 9   DC  B "C1'" 1 
ATOM   170 N  N1    . DC  B 1 3 ? 14.209 18.254 28.890 1.00 1.74  ? 9   DC  B N1    1 
ATOM   171 C  C2    . DC  B 1 3 ? 14.520 16.919 29.160 1.00 1.85  ? 9   DC  B C2    1 
ATOM   172 O  O2    . DC  B 1 3 ? 13.593 16.109 29.286 1.00 2.32  ? 9   DC  B O2    1 
ATOM   173 N  N3    . DC  B 1 3 ? 15.811 16.559 29.258 1.00 1.80  ? 9   DC  B N3    1 
ATOM   174 C  C4    . DC  B 1 3 ? 16.784 17.466 29.121 1.00 1.86  ? 9   DC  B C4    1 
ATOM   175 N  N4    . DC  B 1 3 ? 18.047 17.073 29.253 1.00 2.28  ? 9   DC  B N4    1 
ATOM   176 C  C5    . DC  B 1 3 ? 16.484 18.841 28.837 1.00 2.24  ? 9   DC  B C5    1 
ATOM   177 C  C6    . DC  B 1 3 ? 15.196 19.181 28.752 1.00 2.12  ? 9   DC  B C6    1 
ATOM   178 P  P     . DG  B 1 4 ? 8.471  19.726 29.551 1.00 2.04  ? 10  DG  B P     1 
ATOM   179 O  OP1   . DG  B 1 4 ? 8.274  20.549 30.774 1.00 2.30  ? 10  DG  B OP1   1 
ATOM   180 O  OP2   . DG  B 1 4 ? 7.598  18.535 29.359 1.00 3.31  ? 10  DG  B OP2   1 
ATOM   181 O  "O5'" . DG  B 1 4 ? 8.339  20.737 28.329 1.00 2.15  ? 10  DG  B "O5'" 1 
ATOM   182 C  "C5'" . DG  B 1 4 ? 8.441  20.210 26.996 1.00 2.33  ? 10  DG  B "C5'" 1 
ATOM   183 C  "C4'" . DG  B 1 4 ? 8.294  21.331 26.020 1.00 1.82  ? 10  DG  B "C4'" 1 
ATOM   184 O  "O4'" . DG  B 1 4 ? 9.352  22.285 26.227 1.00 2.26  ? 10  DG  B "O4'" 1 
ATOM   185 C  "C3'" . DG  B 1 4 ? 8.421  20.856 24.570 1.00 1.99  ? 10  DG  B "C3'" 1 
ATOM   186 O  "O3'" . DG  B 1 4 ? 7.117  20.706 23.992 1.00 2.62  ? 10  DG  B "O3'" 1 
ATOM   187 C  "C2'" . DG  B 1 4 ? 9.173  22.000 23.886 1.00 2.24  ? 10  DG  B "C2'" 1 
ATOM   188 C  "C1'" . DG  B 1 4 ? 9.930  22.691 25.011 1.00 2.12  ? 10  DG  B "C1'" 1 
ATOM   189 N  N9    . DG  B 1 4 ? 11.370 22.422 25.048 1.00 2.00  ? 10  DG  B N9    1 
ATOM   190 C  C8    . DG  B 1 4 ? 12.344 23.381 25.085 1.00 2.22  ? 10  DG  B C8    1 
ATOM   191 N  N7    . DG  B 1 4 ? 13.558 22.881 25.186 1.00 2.45  ? 10  DG  B N7    1 
ATOM   192 C  C5    . DG  B 1 4 ? 13.354 21.500 25.224 1.00 2.07  ? 10  DG  B C5    1 
ATOM   193 C  C6    . DG  B 1 4 ? 14.268 20.445 25.323 1.00 2.15  ? 10  DG  B C6    1 
ATOM   194 O  O6    . DG  B 1 4 ? 15.521 20.524 25.409 1.00 2.61  ? 10  DG  B O6    1 
ATOM   195 N  N1    . DG  B 1 4 ? 13.656 19.210 25.296 1.00 1.86  ? 10  DG  B N1    1 
ATOM   196 C  C2    . DG  B 1 4 ? 12.294 19.013 25.253 1.00 1.80  ? 10  DG  B C2    1 
ATOM   197 N  N2    . DG  B 1 4 ? 11.870 17.748 25.315 1.00 2.21  ? 10  DG  B N2    1 
ATOM   198 N  N3    . DG  B 1 4 ? 11.410 19.994 25.155 1.00 1.79  ? 10  DG  B N3    1 
ATOM   199 C  C4    . DG  B 1 4 ? 12.011 21.207 25.144 1.00 1.91  ? 10  DG  B C4    1 
ATOM   200 P  P     . DC  B 1 5 ? 6.540  19.300 23.609 1.00 2.44  ? 11  DC  B P     1 
ATOM   201 O  OP1   . DC  B 1 5 ? 5.172  19.535 23.080 1.00 2.97  ? 11  DC  B OP1   1 
ATOM   202 O  OP2   . DC  B 1 5 ? 6.727  18.365 24.722 1.00 5.56  ? 11  DC  B OP2   1 
ATOM   203 O  "O5'" . DC  B 1 5 ? 7.473  18.893 22.404 1.00 4.67  ? 11  DC  B "O5'" 1 
ATOM   204 C  "C5'" . DC  B 1 5 ? 6.980  18.211 21.245 1.00 2.79  ? 11  DC  B "C5'" 1 
ATOM   205 C  "C4'" . DC  B 1 5 ? 7.837  17.024 20.939 1.00 2.41  ? 11  DC  B "C4'" 1 
ATOM   206 O  "O4'" . DC  B 1 5 ? 9.128  17.490 20.518 1.00 2.65  ? 11  DC  B "O4'" 1 
ATOM   207 C  "C3'" . DC  B 1 5 ? 8.099  16.092 22.111 1.00 2.84  ? 11  DC  B "C3'" 1 
ATOM   208 O  "O3'" . DC  B 1 5 ? 8.101  14.710 21.672 1.00 3.41  ? 11  DC  B "O3'" 1 
ATOM   209 C  "C2'" . DC  B 1 5 ? 9.500  16.455 22.556 1.00 3.42  ? 11  DC  B "C2'" 1 
ATOM   210 C  "C1'" . DC  B 1 5 ? 10.154 16.901 21.275 1.00 2.51  ? 11  DC  B "C1'" 1 
ATOM   211 N  N1    . DC  B 1 5 ? 11.181 17.930 21.483 1.00 2.08  ? 11  DC  B N1    1 
ATOM   212 C  C2    . DC  B 1 5 ? 12.477 17.505 21.738 1.00 1.91  ? 11  DC  B C2    1 
ATOM   213 O  O2    . DC  B 1 5 ? 12.707 16.284 21.804 1.00 2.87  ? 11  DC  B O2    1 
ATOM   214 N  N3    . DC  B 1 5 ? 13.442 18.424 21.925 1.00 1.93  ? 11  DC  B N3    1 
ATOM   215 C  C4    . DC  B 1 5 ? 13.150 19.727 21.878 1.00 2.07  ? 11  DC  B C4    1 
ATOM   216 N  N4    . DC  B 1 5 ? 14.137 20.603 22.036 1.00 2.48  ? 11  DC  B N4    1 
ATOM   217 C  C5    . DC  B 1 5 ? 11.816 20.176 21.674 1.00 2.53  ? 11  DC  B C5    1 
ATOM   218 C  C6    . DC  B 1 5 ? 10.879 19.255 21.484 1.00 2.50  ? 11  DC  B C6    1 
ATOM   219 P  P     . DG  B 1 6 ? 6.758  13.851 21.813 1.00 3.56  ? 12  DG  B P     1 
ATOM   220 O  OP1   . DG  B 1 6 ? 6.121  14.082 23.126 1.00 4.77  ? 12  DG  B OP1   1 
ATOM   221 O  OP2   . DG  B 1 6 ? 7.163  12.479 21.444 1.00 6.17  ? 12  DG  B OP2   1 
ATOM   222 O  "O5'" . DG  B 1 6 ? 5.768  14.440 20.734 1.00 3.01  ? 12  DG  B "O5'" 1 
ATOM   223 C  "C5'" . DG  B 1 6 ? 5.922  14.130 19.330 1.00 2.80  ? 12  DG  B "C5'" 1 
ATOM   224 C  "C4'" . DG  B 1 6 ? 4.852  14.894 18.600 1.00 2.15  ? 12  DG  B "C4'" 1 
ATOM   225 O  "O4'" . DG  B 1 6 ? 5.108  16.312 18.711 1.00 2.16  ? 12  DG  B "O4'" 1 
ATOM   226 C  "C3'" . DG  B 1 6 ? 4.833  14.606 17.087 1.00 2.26  ? 12  DG  B "C3'" 1 
ATOM   227 O  "O3'" . DG  B 1 6 ? 3.523  14.816 16.550 1.00 2.52  ? 12  DG  B "O3'" 1 
ATOM   228 C  "C2'" . DG  B 1 6 ? 5.712  15.701 16.535 1.00 2.38  ? 12  DG  B "C2'" 1 
ATOM   229 C  "C1'" . DG  B 1 6 ? 5.353  16.875 17.427 1.00 2.10  ? 12  DG  B "C1'" 1 
ATOM   230 N  N9    . DG  B 1 6 ? 6.341  17.909 17.538 1.00 2.05  ? 12  DG  B N9    1 
ATOM   231 C  C8    . DG  B 1 6 ? 6.046  19.253 17.629 1.00 2.38  ? 12  DG  B C8    1 
ATOM   232 N  N7    . DG  B 1 6 ? 7.100  20.023 17.786 1.00 2.53  ? 12  DG  B N7    1 
ATOM   233 C  C5    . DG  B 1 6 ? 8.145  19.120 17.786 1.00 2.02  ? 12  DG  B C5    1 
ATOM   234 C  C6    . DG  B 1 6 ? 9.537  19.348 17.944 1.00 2.11  ? 12  DG  B C6    1 
ATOM   235 O  O6    . DG  B 1 6 ? 10.100 20.438 18.144 1.00 2.92  ? 12  DG  B O6    1 
ATOM   236 N  N1    . DG  B 1 6 ? 10.277 18.176 17.871 1.00 1.96  ? 12  DG  B N1    1 
ATOM   237 C  C2    . DG  B 1 6 ? 9.737  16.932 17.783 1.00 1.88  ? 12  DG  B C2    1 
ATOM   238 N  N2    . DG  B 1 6 ? 10.587 15.901 17.830 1.00 2.46  ? 12  DG  B N2    1 
ATOM   239 N  N3    . DG  B 1 6 ? 8.432  16.689 17.654 1.00 1.86  ? 12  DG  B N3    1 
ATOM   240 C  C4    . DG  B 1 6 ? 7.719  17.821 17.652 1.00 1.80  ? 12  DG  B C4    1 
HETATM 241 N  N1    . SPK C 2 . ? 7.130  7.848  32.331 1.00 2.28  ? 101 SPK A N1    1 
HETATM 242 C  C2    . SPK C 2 . ? 7.791  7.053  31.273 1.00 2.73  ? 101 SPK A C2    1 
HETATM 243 C  C3    . SPK C 2 . ? 9.223  7.573  31.073 1.00 3.13  ? 101 SPK A C3    1 
HETATM 244 C  C4    . SPK C 2 . ? 10.049 6.782  30.086 1.00 3.07  ? 101 SPK A C4    1 
HETATM 245 N  N5    . SPK C 2 . ? 10.502 5.508  30.632 1.00 3.05  ? 101 SPK A N5    1 
HETATM 246 C  C6    . SPK C 2 . ? 11.405 4.761  29.745 1.00 4.70  ? 101 SPK A C6    1 
HETATM 247 C  C7    . SPK C 2 . ? 11.615 3.386  30.174 1.00 7.46  ? 101 SPK A C7    1 
HETATM 248 C  C8    A SPK C 2 . ? 12.349 3.149  31.411 0.52 2.76  ? 101 SPK A C8    1 
HETATM 249 C  C8    B SPK C 2 . ? 12.893 2.845  30.792 0.48 8.88  ? 101 SPK A C8    1 
HETATM 250 C  C9    . SPK C 2 . ? 12.726 1.597  31.511 1.00 11.34 ? 101 SPK A C9    1 
HETATM 251 N  N10   . SPK C 2 . ? 13.030 1.446  32.871 1.00 5.89  ? 101 SPK A N10   1 
HETATM 252 C  C11   . SPK C 2 . ? 13.217 0.066  33.354 1.00 5.50  ? 101 SPK A C11   1 
HETATM 253 C  C12   . SPK C 2 . ? 13.529 0.039  34.828 1.00 6.79  ? 101 SPK A C12   1 
HETATM 254 C  C13   A SPK C 2 . ? 13.464 -1.192 35.551 0.78 18.19 ? 101 SPK A C13   1 
HETATM 255 C  C13   B SPK C 2 . ? 13.759 -1.446 35.236 0.22 5.88  ? 101 SPK A C13   1 
HETATM 256 N  N14   A SPK C 2 . ? 14.400 -2.208 35.096 0.78 19.47 ? 101 SPK A N14   1 
HETATM 257 N  N14   B SPK C 2 . ? 12.462 -2.191 35.345 0.22 4.54  ? 101 SPK A N14   1 
HETATM 258 MN MN    . MN  D 3 . ? 14.355 7.151  37.769 1.00 1.89  ? 102 MN  A MN    1 
HETATM 259 O  O     . HOH E 4 . ? 11.181 15.547 32.258 1.00 2.16  ? 201 HOH A O     1 
HETATM 260 O  O     . HOH E 4 . ? 20.027 16.994 15.374 1.00 2.41  ? 202 HOH A O     1 
HETATM 261 O  O     A HOH E 4 . ? 15.152 7.776  35.957 0.48 1.81  ? 203 HOH A O     1 
HETATM 262 O  O     B HOH E 4 . ? 15.256 8.154  35.893 0.52 6.03  ? 203 HOH A O     1 
HETATM 263 O  O     . HOH E 4 . ? 20.668 20.063 18.575 1.00 3.57  ? 204 HOH A O     1 
HETATM 264 O  O     . HOH E 4 . ? 15.283 11.700 18.999 1.00 5.56  ? 205 HOH A O     1 
HETATM 265 O  O     . HOH E 4 . ? 16.826 6.904  26.741 1.00 4.35  ? 206 HOH A O     1 
HETATM 266 O  O     . HOH E 4 . ? 8.532  7.314  34.626 1.00 3.04  ? 207 HOH A O     1 
HETATM 267 O  O     . HOH E 4 . ? 8.619  15.102 33.292 1.00 2.43  ? 208 HOH A O     1 
HETATM 268 O  O     . HOH E 4 . ? 15.507 12.279 21.684 1.00 5.08  ? 209 HOH A O     1 
HETATM 269 O  O     . HOH E 4 . ? 18.322 21.178 24.050 1.00 4.00  ? 210 HOH A O     1 
HETATM 270 O  O     . HOH E 4 . ? 8.928  15.029 36.048 1.00 2.51  ? 211 HOH A O     1 
HETATM 271 O  O     A HOH E 4 . ? 17.295 21.689 20.171 0.48 2.12  ? 212 HOH A O     1 
HETATM 272 O  O     B HOH E 4 . ? 17.697 21.497 20.561 0.52 14.19 ? 212 HOH A O     1 
HETATM 273 O  O     A HOH E 4 . ? 20.350 17.865 25.615 0.32 1.63  ? 213 HOH A O     1 
HETATM 274 O  O     B HOH E 4 . ? 20.365 18.344 25.948 0.68 15.96 ? 213 HOH A O     1 
HETATM 275 O  O     . HOH E 4 . ? 9.578  20.099 36.878 0.66 2.49  ? 214 HOH A O     1 
HETATM 276 O  O     . HOH E 4 . ? 22.525 8.737  30.487 1.00 4.20  ? 215 HOH A O     1 
HETATM 277 O  O     A HOH E 4 . ? 13.051 5.595  36.958 0.77 2.69  ? 216 HOH A O     1 
HETATM 278 O  O     B HOH E 4 . ? 13.321 6.108  36.057 0.23 5.50  ? 216 HOH A O     1 
HETATM 279 O  O     A HOH E 4 . ? 20.954 20.398 24.714 0.68 2.00  ? 217 HOH A O     1 
HETATM 280 O  O     B HOH E 4 . ? 20.846 20.085 23.827 0.32 11.25 ? 217 HOH A O     1 
HETATM 281 O  O     A HOH E 4 . ? 13.547 13.634 18.002 0.47 3.14  ? 218 HOH A O     1 
HETATM 282 O  O     B HOH E 4 . ? 13.550 13.348 17.992 0.53 13.84 ? 218 HOH A O     1 
HETATM 283 O  O     . HOH E 4 . ? 20.113 13.977 27.244 0.89 6.37  ? 219 HOH A O     1 
HETATM 284 O  O     . HOH E 4 . ? 20.435 9.080  26.461 0.68 6.60  ? 220 HOH A O     1 
HETATM 285 O  O     A HOH E 4 . ? 14.941 23.081 19.095 0.72 3.25  ? 221 HOH A O     1 
HETATM 286 O  O     B HOH E 4 . ? 14.362 23.528 19.435 0.28 18.76 ? 221 HOH A O     1 
HETATM 287 O  O     A HOH E 4 . ? 19.929 21.020 21.005 0.23 0.98  ? 222 HOH A O     1 
HETATM 288 O  O     B HOH E 4 . ? 20.108 20.939 21.069 0.77 15.78 ? 222 HOH A O     1 
HETATM 289 O  O     A HOH E 4 . ? 11.438 12.579 28.724 0.71 4.89  ? 223 HOH A O     1 
HETATM 290 O  O     B HOH E 4 . ? 11.636 11.848 28.458 0.29 5.36  ? 223 HOH A O     1 
HETATM 291 O  O     A HOH E 4 . ? 12.834 4.821  26.510 0.72 7.69  ? 224 HOH A O     1 
HETATM 292 O  O     B HOH E 4 . ? 13.469 4.907  25.496 0.28 19.16 ? 224 HOH A O     1 
HETATM 293 O  O     . HOH E 4 . ? 21.430 11.607 26.705 0.81 7.97  ? 225 HOH A O     1 
HETATM 294 O  O     . HOH E 4 . ? 9.348  10.793 29.259 0.61 13.29 ? 226 HOH A O     1 
HETATM 295 O  O     . HOH E 4 . ? 21.143 9.489  19.889 0.88 15.38 ? 227 HOH A O     1 
HETATM 296 O  O     . HOH E 4 . ? 15.525 4.496  26.749 1.00 8.09  ? 228 HOH A O     1 
HETATM 297 O  O     . HOH E 4 . ? 19.288 10.651 33.934 1.00 2.92  ? 229 HOH A O     1 
HETATM 298 O  O     . HOH E 4 . ? 10.163 17.462 36.188 1.00 2.91  ? 230 HOH A O     1 
HETATM 299 O  O     . HOH E 4 . ? 15.798 7.322  24.219 0.50 7.48  ? 231 HOH A O     1 
HETATM 300 O  O     . HOH E 4 . ? 9.738  8.768  27.633 0.40 9.96  ? 232 HOH A O     1 
HETATM 301 O  O     . HOH E 4 . ? 22.004 11.265 29.291 0.50 4.70  ? 233 HOH A O     1 
HETATM 302 O  O     . HOH E 4 . ? 7.718  12.515 27.211 0.62 14.26 ? 234 HOH A O     1 
HETATM 303 O  O     . HOH E 4 . ? 5.215  7.451  26.802 1.00 26.81 ? 235 HOH A O     1 
HETATM 304 O  O     . HOH E 4 . ? 21.855 15.799 26.917 1.00 31.85 ? 236 HOH A O     1 
HETATM 305 O  O     . HOH E 4 . ? 11.590 14.312 27.301 0.26 7.00  ? 237 HOH A O     1 
HETATM 306 O  O     . HOH E 4 . ? 7.820  10.436 27.473 0.34 1.60  ? 238 HOH A O     1 
HETATM 307 O  O     . HOH E 4 . ? 13.259 9.888  22.181 0.99 32.40 ? 239 HOH A O     1 
HETATM 308 O  O     . HOH E 4 . ? 12.803 12.105 22.021 0.66 14.46 ? 240 HOH A O     1 
HETATM 309 O  O     . HOH E 4 . ? 8.486  12.146 25.454 0.20 1.61  ? 241 HOH A O     1 
HETATM 310 O  O     . HOH E 4 . ? 18.124 9.166  19.000 0.66 23.20 ? 242 HOH A O     1 
HETATM 311 O  O     . HOH E 4 . ? 10.593 12.000 26.257 0.26 5.88  ? 243 HOH A O     1 
HETATM 312 O  O     . HOH E 4 . ? 12.068 10.056 20.259 0.26 3.71  ? 244 HOH A O     1 
HETATM 313 O  O     A HOH E 4 . ? 18.582 6.886  23.105 0.56 18.48 ? 245 HOH A O     1 
HETATM 314 O  O     B HOH E 4 . ? 17.531 6.830  24.334 0.44 15.15 ? 245 HOH A O     1 
HETATM 315 O  O     . HOH E 4 . ? 6.878  11.108 29.198 0.71 33.79 ? 246 HOH A O     1 
HETATM 316 O  O     . HOH E 4 . ? 16.744 7.744  19.789 0.20 0.76  ? 247 HOH A O     1 
HETATM 317 O  O     . HOH E 4 . ? 9.866  22.666 38.492 1.00 50.36 ? 248 HOH A O     1 
HETATM 318 O  O     . HOH E 4 . ? 14.008 9.456  19.202 1.00 61.20 ? 249 HOH A O     1 
HETATM 319 O  O     A HOH E 4 . ? 13.313 6.484  39.597 0.78 2.31  ? 250 HOH A O     1 
HETATM 320 O  O     B HOH E 4 . ? 13.220 5.897  38.733 0.22 7.02  ? 250 HOH A O     1 
HETATM 321 O  O     . HOH E 4 . ? 15.886 5.651  38.027 0.98 4.27  ? 251 HOH A O     1 
HETATM 322 O  O     . HOH E 4 . ? 15.673 8.417  38.879 0.95 3.21  ? 252 HOH A O     1 
HETATM 323 O  O     . HOH E 4 . ? 21.983 8.787  22.670 1.00 68.69 ? 253 HOH A O     1 
HETATM 324 O  O     . HOH F 4 . ? 13.856 25.317 28.714 1.00 2.41  ? 101 HOH B O     1 
HETATM 325 O  O     . HOH F 4 . ? 12.874 19.682 33.534 1.00 2.17  ? 102 HOH B O     1 
HETATM 326 O  O     . HOH F 4 . ? 12.671 17.725 37.321 1.00 2.75  ? 103 HOH B O     1 
HETATM 327 O  O     . HOH F 4 . ? 12.318 20.226 36.208 1.00 2.67  ? 104 HOH B O     1 
HETATM 328 O  O     . HOH F 4 . ? 8.729  16.290 28.389 0.84 3.64  ? 105 HOH B O     1 
HETATM 329 O  O     . HOH F 4 . ? 10.791 17.930 33.546 1.00 2.36  ? 106 HOH B O     1 
HETATM 330 O  O     . HOH F 4 . ? 20.190 11.771 36.302 1.00 2.84  ? 107 HOH B O     1 
HETATM 331 O  O     A HOH F 4 . ? 4.982  16.285 24.695 0.45 2.61  ? 108 HOH B O     1 
HETATM 332 O  O     B HOH F 4 . ? 5.544  15.831 24.870 0.55 11.47 ? 108 HOH B O     1 
HETATM 333 O  O     . HOH F 4 . ? 8.950  16.936 25.714 1.00 3.86  ? 109 HOH B O     1 
HETATM 334 O  O     . HOH F 4 . ? 17.562 9.240  35.793 0.78 2.68  ? 110 HOH B O     1 
HETATM 335 O  O     . HOH F 4 . ? 8.735  19.779 33.368 1.00 4.89  ? 111 HOH B O     1 
HETATM 336 O  O     A HOH F 4 . ? 5.464  20.172 31.278 0.61 2.22  ? 112 HOH B O     1 
HETATM 337 O  O     B HOH F 4 . ? 5.515  19.913 31.687 0.39 13.17 ? 112 HOH B O     1 
HETATM 338 O  O     . HOH F 4 . ? 22.322 12.639 33.226 0.85 3.07  ? 113 HOH B O     1 
HETATM 339 O  O     . HOH F 4 . ? 9.008  21.638 20.386 0.61 3.10  ? 114 HOH B O     1 
HETATM 340 O  O     . HOH F 4 . ? 16.358 24.616 27.750 1.00 3.67  ? 115 HOH B O     1 
HETATM 341 O  O     . HOH F 4 . ? 20.182 18.750 28.344 0.91 6.86  ? 116 HOH B O     1 
HETATM 342 O  O     A HOH F 4 . ? 13.196 23.254 21.165 0.51 2.51  ? 117 HOH B O     1 
HETATM 343 O  O     B HOH F 4 . ? 13.650 23.538 21.767 0.49 12.82 ? 117 HOH B O     1 
HETATM 344 O  O     A HOH F 4 . ? 5.396  18.954 27.587 0.47 3.03  ? 118 HOH B O     1 
HETATM 345 O  O     B HOH F 4 . ? 5.116  18.464 28.329 0.52 8.78  ? 118 HOH B O     1 
HETATM 346 O  O     A HOH F 4 . ? 15.413 24.831 24.467 0.60 2.39  ? 119 HOH B O     1 
HETATM 347 O  O     B HOH F 4 . ? 15.047 24.361 23.681 0.40 11.92 ? 119 HOH B O     1 
HETATM 348 O  O     A HOH F 4 . ? 5.344  11.587 24.325 0.56 12.83 ? 120 HOH B O     1 
HETATM 349 O  O     B HOH F 4 . ? 5.789  11.993 24.957 0.44 7.41  ? 120 HOH B O     1 
HETATM 350 O  O     A HOH F 4 . ? 4.819  21.604 21.440 0.47 1.64  ? 121 HOH B O     1 
HETATM 351 O  O     B HOH F 4 . ? 4.622  20.913 20.655 0.53 12.97 ? 121 HOH B O     1 
HETATM 352 O  O     . HOH F 4 . ? 10.786 23.528 19.787 0.36 1.08  ? 122 HOH B O     1 
HETATM 353 O  O     . HOH F 4 . ? 7.276  17.207 31.985 0.83 8.77  ? 123 HOH B O     1 
HETATM 354 O  O     . HOH F 4 . ? 17.124 22.028 26.990 1.00 11.74 ? 124 HOH B O     1 
HETATM 355 O  O     . HOH F 4 . ? 8.270  11.502 19.412 0.68 24.63 ? 125 HOH B O     1 
HETATM 356 O  O     . HOH F 4 . ? 6.799  14.401 28.326 1.00 27.16 ? 126 HOH B O     1 
HETATM 357 O  O     . HOH F 4 . ? 9.026  14.276 25.260 0.90 21.33 ? 127 HOH B O     1 
HETATM 358 O  O     . HOH F 4 . ? 5.623  10.389 21.093 0.69 24.27 ? 128 HOH B O     1 
HETATM 359 O  O     . HOH F 4 . ? 12.030 13.853 20.754 0.67 26.23 ? 129 HOH B O     1 
HETATM 360 O  O     A HOH F 4 . ? 12.173 14.466 23.757 0.51 7.46  ? 130 HOH B O     1 
HETATM 361 O  O     B HOH F 4 . ? 11.654 13.899 24.794 0.49 17.51 ? 130 HOH B O     1 
HETATM 362 O  O     . HOH F 4 . ? 9.428  22.800 19.227 0.35 5.81  ? 131 HOH B O     1 
HETATM 363 O  O     . HOH F 4 . ? 9.197  11.902 23.191 0.45 15.38 ? 132 HOH B O     1 
HETATM 364 O  O     A HOH F 4 . ? 9.683  13.225 19.131 0.78 14.19 ? 133 HOH B O     1 
HETATM 365 O  O     B HOH F 4 . ? 10.968 13.196 19.222 0.22 4.75  ? 133 HOH B O     1 
HETATM 366 O  O     . HOH F 4 . ? 11.689 12.127 19.231 0.36 10.85 ? 134 HOH B O     1 
HETATM 367 O  O     . HOH F 4 . ? 21.996 13.741 35.748 1.00 3.68  ? 135 HOH B O     1 
HETATM 368 O  O     . HOH F 4 . ? 11.036 15.282 29.524 0.78 3.03  ? 136 HOH B O     1 
HETATM 369 O  O     . HOH F 4 . ? 11.008 23.708 21.632 0.65 15.65 ? 137 HOH B O     1 
HETATM 370 O  O     . HOH F 4 . ? 13.691 25.720 33.060 1.00 2.70  ? 138 HOH B O     1 
HETATM 371 O  O     . HOH F 4 . ? 7.120  16.135 29.972 0.81 39.35 ? 139 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 ? 0.0256 0.0322 0.0283 0.0031  0.0050  0.0005  1   DC  A "O5'" 
2   C  "C5'" . DC  A 1 ? 0.0130 0.0321 0.0293 0.0040  0.0022  -0.0021 1   DC  A "C5'" 
3   C  "C4'" . DC  A 1 ? 0.0134 0.0299 0.0272 0.0021  0.0008  0.0038  1   DC  A "C4'" 
4   O  "O4'" . DC  A 1 ? 0.0133 0.0597 0.0194 0.0055  0.0012  0.0004  1   DC  A "O4'" 
5   C  "C3'" . DC  A 1 ? 0.0189 0.0401 0.0255 -0.0015 0.0019  -0.0027 1   DC  A "C3'" 
6   O  "O3'" . DC  A 1 ? 0.0215 0.0419 0.0359 -0.0060 -0.0038 -0.0021 1   DC  A "O3'" 
7   C  "C2'" . DC  A 1 ? 0.0199 0.0479 0.0235 0.0013  -0.0007 -0.0002 1   DC  A "C2'" 
8   C  "C1'" . DC  A 1 ? 0.0115 0.0526 0.0220 0.0027  -0.0012 0.0067  1   DC  A "C1'" 
9   N  N1    . DC  A 1 ? 0.0122 0.0487 0.0228 0.0020  0.0017  0.0029  1   DC  A N1    
10  C  C2    . DC  A 1 ? 0.0114 0.0507 0.0225 0.0022  -0.0018 0.0052  1   DC  A C2    
11  O  O2    . DC  A 1 ? 0.0167 0.0452 0.0530 0.0044  -0.0101 -0.0059 1   DC  A O2    
12  N  N3    . DC  A 1 ? 0.0129 0.0417 0.0275 0.0026  0.0013  0.0017  1   DC  A N3    
13  C  C4    . DC  A 1 ? 0.0203 0.0505 0.0174 0.0014  0.0029  0.0055  1   DC  A C4    
14  N  N4    . DC  A 1 ? 0.0215 0.0399 0.0339 -0.0011 0.0017  0.0100  1   DC  A N4    
15  C  C5    . DC  A 1 ? 0.0209 0.0491 0.0432 -0.0052 0.0055  0.0122  1   DC  A C5    
16  C  C6    . DC  A 1 ? 0.0156 0.0551 0.0348 0.0009  0.0050  0.0133  1   DC  A C6    
17  P  P     . DG  A 2 ? 0.0260 0.0341 0.0468 -0.0066 -0.0014 -0.0133 2   DG  A P     
18  O  OP1   . DG  A 2 ? 0.0424 0.0481 0.0435 -0.0019 0.0005  -0.0222 2   DG  A OP1   
19  O  OP2   . DG  A 2 ? 0.0460 0.0406 0.0939 -0.0139 0.0040  -0.0209 2   DG  A OP2   
20  O  "O5'" . DG  A 2 ? 0.0269 0.0374 0.0405 0.0019  0.0015  0.0001  2   DG  A "O5'" 
21  C  "C5'" . DG  A 2 ? 0.0323 0.0348 0.0463 0.0011  0.0048  0.0066  2   DG  A "C5'" 
22  C  "C4'" . DG  A 2 ? 0.0328 0.0456 0.0337 0.0139  0.0062  0.0087  2   DG  A "C4'" 
23  O  "O4'" . DG  A 2 ? 0.0222 0.0479 0.0270 -0.0005 0.0043  0.0002  2   DG  A "O4'" 
24  C  "C3'" . DG  A 2 ? 0.0270 0.0625 0.0381 0.0129  0.0075  0.0205  2   DG  A "C3'" 
25  O  "O3'" . DG  A 2 ? 0.0511 0.0791 0.0530 0.0330  0.0174  0.0369  2   DG  A "O3'" 
26  C  "C2'" . DG  A 2 ? 0.0305 0.0789 0.0269 0.0170  0.0007  0.0000  2   DG  A "C2'" 
27  C  "C1'" . DG  A 2 ? 0.0151 0.0666 0.0304 0.0033  0.0000  -0.0057 2   DG  A "C1'" 
28  N  N9    . DG  A 2 ? 0.0109 0.0599 0.0307 -0.0008 0.0020  -0.0098 2   DG  A N9    
29  C  C8    . DG  A 2 ? 0.0126 0.0672 0.0445 -0.0101 0.0042  -0.0203 2   DG  A C8    
30  N  N7    . DG  A 2 ? 0.0178 0.0556 0.0458 -0.0126 0.0065  -0.0149 2   DG  A N7    
31  C  C5    . DG  A 2 ? 0.0146 0.0456 0.0274 -0.0051 0.0025  -0.0100 2   DG  A C5    
32  C  C6    . DG  A 2 ? 0.0164 0.0400 0.0263 -0.0062 0.0023  -0.0068 2   DG  A C6    
33  O  O6    . DG  A 2 ? 0.0245 0.0329 0.0430 -0.0069 0.0000  0.0002  2   DG  A O6    
34  N  N1    . DG  A 2 ? 0.0109 0.0320 0.0258 -0.0036 -0.0009 -0.0021 2   DG  A N1    
35  C  C2    . DG  A 2 ? 0.0121 0.0368 0.0208 0.0007  0.0018  0.0029  2   DG  A C2    
36  N  N2    . DG  A 2 ? 0.0097 0.0277 0.0437 -0.0007 0.0022  0.0077  2   DG  A N2    
37  N  N3    . DG  A 2 ? 0.0129 0.0458 0.0177 0.0014  0.0001  0.0036  2   DG  A N3    
38  C  C4    . DG  A 2 ? 0.0096 0.0486 0.0214 0.0008  -0.0002 -0.0038 2   DG  A C4    
39  P  P     . DC  A 3 ? 0.0760 0.0506 0.0501 0.0234  0.0188  0.0203  3   DC  A P     
40  O  OP1   . DC  A 3 ? 0.1578 0.0705 0.0628 0.0654  0.0489  0.0278  3   DC  A OP1   
41  O  OP2   . DC  A 3 ? 0.0917 0.0685 0.0587 -0.0080 0.0034  0.0161  3   DC  A OP2   
42  O  "O5'" . DC  A 3 ? 0.0674 0.0341 0.0537 0.0096  0.0244  0.0188  3   DC  A "O5'" 
43  C  "C5'" . DC  A 3 ? 0.0500 0.0348 0.0410 0.0084  0.0098  0.0161  3   DC  A "C5'" 
44  C  "C4'" . DC  A 3 ? 0.0553 0.0350 0.0224 0.0155  0.0049  0.0069  3   DC  A "C4'" 
45  O  "O4'" . DC  A 3 ? 0.0589 0.0385 0.0221 0.0132  -0.0012 0.0017  3   DC  A "O4'" 
46  C  "C3'" . DC  A 3 ? 0.0653 0.0353 0.0271 0.0092  -0.0014 0.0077  3   DC  A "C3'" 
47  O  "O3'" . DC  A 3 ? 0.0502 0.0662 0.0410 0.0167  -0.0018 0.0143  3   DC  A "O3'" 
48  C  "C2'" . DC  A 3 ? 0.0717 0.0348 0.0294 0.0116  -0.0036 0.0135  3   DC  A "C2'" 
49  C  "C1'" . DC  A 3 ? 0.0565 0.0278 0.0292 0.0133  0.0082  0.0118  3   DC  A "C1'" 
50  N  N1    . DC  A 3 ? 0.0380 0.0372 0.0289 0.0119  0.0076  0.0034  3   DC  A N1    
51  C  C2    . DC  A 3 ? 0.0436 0.0290 0.0228 0.0078  0.0109  0.0047  3   DC  A C2    
52  O  O2    . DC  A 3 ? 0.0340 0.0334 0.0466 0.0079  0.0090  0.0085  3   DC  A O2    
53  N  N3    . DC  A 3 ? 0.0315 0.0355 0.0223 0.0066  0.0048  0.0022  3   DC  A N3    
54  C  C4    . DC  A 3 ? 0.0387 0.0373 0.0186 0.0071  0.0053  0.0009  3   DC  A C4    
55  N  N4    . DC  A 3 ? 0.0273 0.0472 0.0409 0.0071  0.0041  0.0004  3   DC  A N4    
56  C  C5    . DC  A 3 ? 0.0345 0.0523 0.0301 0.0142  0.0028  0.0007  3   DC  A C5    
57  C  C6    . DC  A 3 ? 0.0474 0.0442 0.0306 0.0163  0.0063  0.0033  3   DC  A C6    
58  P  P     . DG  A 4 ? 0.0573 0.0843 0.0459 -0.0175 -0.0223 0.0204  4   DG  A P     
59  O  OP1   . DG  A 4 ? 0.1517 0.0952 0.0395 -0.0576 -0.0353 0.0097  4   DG  A OP1   
60  O  OP2   . DG  A 4 ? 0.0444 0.2016 0.1258 -0.0072 -0.0252 0.0769  4   DG  A OP2   
61  O  "O5'" . DG  A 4 ? 0.0500 0.0530 0.0321 -0.0144 -0.0047 0.0029  4   DG  A "O5'" 
62  C  "C5'" . DG  A 4 ? 0.0264 0.0539 0.0341 -0.0020 -0.0014 0.0069  4   DG  A "C5'" 
63  C  "C4'" . DG  A 4 ? 0.0277 0.0248 0.0299 0.0011  0.0045  -0.0003 4   DG  A "C4'" 
64  O  "O4'" . DG  A 4 ? 0.0238 0.0279 0.0292 0.0061  0.0057  -0.0001 4   DG  A "O4'" 
65  C  "C3'" . DG  A 4 ? 0.0238 0.0163 0.0269 0.0036  0.0016  0.0066  4   DG  A "C3'" 
66  O  "O3'" . DG  A 4 ? 0.0244 0.0215 0.0305 -0.0030 0.0047  -0.0011 4   DG  A "O3'" 
67  C  "C2'" . DG  A 4 ? 0.0258 0.0309 0.0327 0.0023  -0.0021 0.0093  4   DG  A "C2'" 
68  C  "C1'" . DG  A 4 ? 0.0214 0.0217 0.0409 0.0063  -0.0009 -0.0011 4   DG  A "C1'" 
69  N  N9    . DG  A 4 ? 0.0200 0.0227 0.0354 0.0074  0.0019  0.0030  4   DG  A N9    
70  C  C8    . DG  A 4 ? 0.0220 0.0312 0.0492 0.0081  0.0023  0.0085  4   DG  A C8    
71  N  N7    . DG  A 4 ? 0.0158 0.0401 0.0489 0.0017  -0.0004 0.0113  4   DG  A N7    
72  C  C5    . DG  A 4 ? 0.0181 0.0263 0.0319 0.0026  -0.0009 0.0076  4   DG  A C5    
73  C  C6    . DG  A 4 ? 0.0267 0.0263 0.0282 -0.0011 0.0009  0.0080  4   DG  A C6    
74  O  O6    . DG  A 4 ? 0.0278 0.0280 0.0514 -0.0045 -0.0034 0.0106  4   DG  A O6    
75  N  N1    . DG  A 4 ? 0.0263 0.0177 0.0277 0.0015  0.0021  0.0031  4   DG  A N1    
76  C  C2    . DG  A 4 ? 0.0226 0.0223 0.0232 0.0036  0.0047  0.0016  4   DG  A C2    
77  N  N2    . DG  A 4 ? 0.0235 0.0160 0.0381 0.0068  0.0094  0.0056  4   DG  A N2    
78  N  N3    . DG  A 4 ? 0.0224 0.0186 0.0261 0.0057  0.0052  0.0052  4   DG  A N3    
79  C  C4    . DG  A 4 ? 0.0209 0.0206 0.0233 0.0049  0.0031  0.0046  4   DG  A C4    
80  P  P     . DC  A 5 ? 0.0230 0.0203 0.0260 0.0024  -0.0011 0.0026  5   DC  A P     
81  O  OP1   . DC  A 5 ? 0.0311 0.0477 0.0319 0.0067  -0.0048 0.0014  5   DC  A OP1   
82  O  OP2   . DC  A 5 ? 0.0401 0.0237 0.0355 -0.0082 0.0004  -0.0001 5   DC  A OP2   
83  O  "O5'" . DC  A 5 ? 0.0253 0.0174 0.0246 0.0014  0.0055  0.0023  5   DC  A "O5'" 
84  C  "C5'" . DC  A 5 ? 0.0211 0.0182 0.0237 -0.0058 0.0019  0.0023  5   DC  A "C5'" 
85  C  "C4'" . DC  A 5 ? 0.0124 0.0164 0.0218 -0.0049 0.0027  0.0004  5   DC  A "C4'" 
86  O  "O4'" . DC  A 5 ? 0.0152 0.0186 0.0204 -0.0080 -0.0014 0.0001  5   DC  A "O4'" 
87  C  "C3'" . DC  A 5 ? 0.0114 0.0191 0.0255 -0.0034 0.0017  0.0005  5   DC  A "C3'" 
88  O  "O3'" . DC  A 5 ? 0.0110 0.0197 0.0323 -0.0016 -0.0005 0.0014  5   DC  A "O3'" 
89  C  "C2'" . DC  A 5 ? 0.0126 0.0175 0.0216 -0.0027 0.0020  0.0020  5   DC  A "C2'" 
90  C  "C1'" . DC  A 5 ? 0.0104 0.0172 0.0210 -0.0035 0.0033  0.0019  5   DC  A "C1'" 
91  N  N1    . DC  A 5 ? 0.0118 0.0140 0.0217 -0.0020 0.0006  -0.0005 5   DC  A N1    
92  C  C2    . DC  A 5 ? 0.0116 0.0150 0.0191 -0.0040 -0.0017 -0.0004 5   DC  A C2    
93  O  O2    . DC  A 5 ? 0.0135 0.0138 0.0360 -0.0023 -0.0004 0.0028  5   DC  A O2    
94  N  N3    . DC  A 5 ? 0.0105 0.0163 0.0222 -0.0016 0.0012  0.0015  5   DC  A N3    
95  C  C4    . DC  A 5 ? 0.0108 0.0210 0.0184 -0.0019 0.0002  -0.0018 5   DC  A C4    
96  N  N4    . DC  A 5 ? 0.0114 0.0164 0.0363 0.0003  0.0014  -0.0024 5   DC  A N4    
97  C  C5    . DC  A 5 ? 0.0165 0.0156 0.0325 0.0013  -0.0024 -0.0004 5   DC  A C5    
98  C  C6    . DC  A 5 ? 0.0171 0.0154 0.0243 -0.0035 -0.0021 0.0020  5   DC  A C6    
99  P  P     . DG  A 6 ? 0.0117 0.0200 0.0289 -0.0032 -0.0029 0.0025  6   DG  A P     
100 O  OP1   . DG  A 6 ? 0.0239 0.0316 0.0319 -0.0088 -0.0055 -0.0015 6   DG  A OP1   
101 O  OP2   . DG  A 6 ? 0.0149 0.0225 0.0488 -0.0025 -0.0066 0.0072  6   DG  A OP2   
102 O  "O5'" . DG  A 6 ? 0.0149 0.0207 0.0344 -0.0014 0.0016  -0.0009 6   DG  A "O5'" 
103 C  "C5'" . DG  A 6 ? 0.0160 0.0217 0.0300 0.0014  0.0013  -0.0007 6   DG  A "C5'" 
104 C  "C4'" . DG  A 6 ? 0.0060 0.0208 0.0299 -0.0021 -0.0012 -0.0006 6   DG  A "C4'" 
105 O  "O4'" . DG  A 6 ? 0.0165 0.0203 0.0294 0.0036  -0.0032 -0.0035 6   DG  A "O4'" 
106 C  "C3'" . DG  A 6 ? 0.0099 0.0204 0.0323 -0.0006 0.0004  0.0019  6   DG  A "C3'" 
107 O  "O3'" . DG  A 6 ? 0.0129 0.0359 0.0289 -0.0078 0.0043  -0.0003 6   DG  A "O3'" 
108 C  "C2'" . DG  A 6 ? 0.0093 0.0312 0.0265 -0.0046 -0.0011 -0.0029 6   DG  A "C2'" 
109 C  "C1'" . DG  A 6 ? 0.0110 0.0229 0.0274 -0.0023 0.0010  0.0009  6   DG  A "C1'" 
110 N  N9    . DG  A 6 ? 0.0091 0.0225 0.0246 -0.0014 0.0014  0.0043  6   DG  A N9    
111 C  C8    . DG  A 6 ? 0.0160 0.0204 0.0300 -0.0019 0.0023  0.0103  6   DG  A C8    
112 N  N7    . DG  A 6 ? 0.0127 0.0224 0.0243 0.0011  0.0022  0.0047  6   DG  A N7    
113 C  C5    . DG  A 6 ? 0.0125 0.0231 0.0196 0.0008  0.0017  0.0043  6   DG  A C5    
114 C  C6    . DG  A 6 ? 0.0150 0.0222 0.0248 0.0002  0.0032  0.0031  6   DG  A C6    
115 O  O6    . DG  A 6 ? 0.0085 0.0285 0.0673 0.0021  0.0042  0.0142  6   DG  A O6    
116 N  N1    . DG  A 6 ? 0.0097 0.0203 0.0215 -0.0020 -0.0013 0.0014  6   DG  A N1    
117 C  C2    . DG  A 6 ? 0.0133 0.0192 0.0160 0.0002  0.0012  -0.0022 6   DG  A C2    
118 N  N2    . DG  A 6 ? 0.0112 0.0194 0.0347 0.0009  0.0038  -0.0005 6   DG  A N2    
119 N  N3    . DG  A 6 ? 0.0119 0.0198 0.0215 0.0009  0.0020  0.0038  6   DG  A N3    
120 C  C4    . DG  A 6 ? 0.0111 0.0210 0.0177 -0.0012 0.0024  0.0020  6   DG  A C4    
121 O  "O5'" . DC  B 1 ? 0.0327 0.0329 0.0682 0.0053  -0.0190 0.0056  7   DC  B "O5'" 
122 C  "C5'" . DC  B 1 ? 0.0211 0.0260 0.0572 -0.0041 -0.0119 0.0047  7   DC  B "C5'" 
123 C  "C4'" . DC  B 1 ? 0.0190 0.0167 0.0392 -0.0006 -0.0070 0.0059  7   DC  B "C4'" 
124 O  "O4'" . DC  B 1 ? 0.0227 0.0221 0.0273 -0.0035 -0.0004 0.0050  7   DC  B "O4'" 
125 C  "C3'" . DC  B 1 ? 0.0252 0.0194 0.0349 0.0005  -0.0119 -0.0006 7   DC  B "C3'" 
126 O  "O3'" . DC  B 1 ? 0.0243 0.0174 0.0324 0.0003  -0.0041 0.0005  7   DC  B "O3'" 
127 C  "C2'" . DC  B 1 ? 0.0311 0.0187 0.0251 0.0023  -0.0010 0.0011  7   DC  B "C2'" 
128 C  "C1'" . DC  B 1 ? 0.0180 0.0185 0.0272 -0.0004 -0.0039 0.0063  7   DC  B "C1'" 
129 N  N1    . DC  B 1 ? 0.0140 0.0184 0.0223 -0.0005 0.0000  0.0017  7   DC  B N1    
130 C  C2    . DC  B 1 ? 0.0129 0.0231 0.0202 -0.0016 -0.0040 0.0025  7   DC  B C2    
131 O  O2    . DC  B 1 ? 0.0126 0.0193 0.0355 0.0026  -0.0016 0.0009  7   DC  B O2    
132 N  N3    . DC  B 1 ? 0.0124 0.0174 0.0214 0.0012  -0.0016 0.0003  7   DC  B N3    
133 C  C4    . DC  B 1 ? 0.0128 0.0213 0.0190 -0.0005 -0.0010 0.0005  7   DC  B C4    
134 N  N4    . DC  B 1 ? 0.0113 0.0207 0.0315 0.0029  0.0003  0.0006  7   DC  B N4    
135 C  C5    . DC  B 1 ? 0.0116 0.0239 0.0290 -0.0015 -0.0032 -0.0016 7   DC  B C5    
136 C  C6    . DC  B 1 ? 0.0142 0.0220 0.0258 -0.0021 -0.0013 0.0001  7   DC  B C6    
137 P  P     . DG  B 2 ? 0.0253 0.0177 0.0348 0.0024  -0.0057 -0.0046 8   DG  B P     
138 O  OP1   . DG  B 2 ? 0.0457 0.0321 0.0441 0.0049  -0.0134 -0.0152 8   DG  B OP1   
139 O  OP2   . DG  B 2 ? 0.0300 0.0252 0.0430 0.0032  -0.0003 -0.0042 8   DG  B OP2   
140 O  "O5'" . DG  B 2 ? 0.0210 0.0139 0.0376 -0.0037 -0.0109 -0.0027 8   DG  B "O5'" 
141 C  "C5'" . DG  B 2 ? 0.0126 0.0178 0.0343 -0.0017 -0.0038 -0.0006 8   DG  B "C5'" 
142 C  "C4'" . DG  B 2 ? 0.0124 0.0132 0.0380 -0.0024 -0.0037 0.0012  8   DG  B "C4'" 
143 O  "O4'" . DG  B 2 ? 0.0100 0.0210 0.0386 -0.0014 -0.0058 0.0024  8   DG  B "O4'" 
144 C  "C3'" . DG  B 2 ? 0.0113 0.0153 0.0347 -0.0004 -0.0034 0.0076  8   DG  B "C3'" 
145 O  "O3'" . DG  B 2 ? 0.0122 0.0204 0.0401 -0.0020 -0.0080 0.0078  8   DG  B "O3'" 
146 C  "C2'" . DG  B 2 ? 0.0151 0.0227 0.0368 0.0004  -0.0022 0.0089  8   DG  B "C2'" 
147 C  "C1'" . DG  B 2 ? 0.0099 0.0181 0.0402 -0.0055 -0.0023 0.0082  8   DG  B "C1'" 
148 N  N9    . DG  B 2 ? 0.0095 0.0168 0.0417 -0.0035 0.0006  0.0073  8   DG  B N9    
149 C  C8    . DG  B 2 ? 0.0099 0.0244 0.0497 -0.0067 -0.0016 0.0098  8   DG  B C8    
150 N  N7    . DG  B 2 ? 0.0094 0.0215 0.0538 -0.0050 -0.0009 0.0069  8   DG  B N7    
151 C  C5    . DG  B 2 ? 0.0087 0.0194 0.0326 -0.0016 0.0025  0.0062  8   DG  B C5    
152 C  C6    . DG  B 2 ? 0.0095 0.0184 0.0333 -0.0033 0.0006  0.0016  8   DG  B C6    
153 O  O6    . DG  B 2 ? 0.0139 0.0198 0.0581 0.0005  0.0003  0.0070  8   DG  B O6    
154 N  N1    . DG  B 2 ? 0.0096 0.0174 0.0280 -0.0033 -0.0004 0.0036  8   DG  B N1    
155 C  C2    . DG  B 2 ? 0.0107 0.0169 0.0196 -0.0023 -0.0020 0.0051  8   DG  B C2    
156 N  N2    . DG  B 2 ? 0.0113 0.0148 0.0412 -0.0034 0.0000  0.0034  8   DG  B N2    
157 N  N3    . DG  B 2 ? 0.0108 0.0180 0.0310 -0.0026 -0.0032 0.0028  8   DG  B N3    
158 C  C4    . DG  B 2 ? 0.0118 0.0188 0.0273 -0.0062 -0.0021 0.0052  8   DG  B C4    
159 P  P     . DC  B 3 ? 0.0107 0.0149 0.0307 -0.0005 -0.0047 0.0033  9   DC  B P     
160 O  OP1   . DC  B 3 ? 0.0164 0.0188 0.0348 0.0013  -0.0074 0.0029  9   DC  B OP1   
161 O  OP2   . DC  B 3 ? 0.0171 0.0239 0.0445 0.0014  -0.0013 0.0132  9   DC  B OP2   
162 O  "O5'" . DC  B 3 ? 0.0205 0.0264 0.0454 0.0096  -0.0151 -0.0078 9   DC  B "O5'" 
163 C  "C5'" . DC  B 3 ? 0.0191 0.0205 0.0298 0.0007  -0.0042 -0.0019 9   DC  B "C5'" 
164 C  "C4'" . DC  B 3 ? 0.0189 0.0205 0.0206 0.0032  -0.0025 -0.0006 9   DC  B "C4'" 
165 O  "O4'" . DC  B 3 ? 0.0347 0.0176 0.0200 0.0064  0.0035  0.0036  9   DC  B "O4'" 
166 C  "C3'" . DC  B 3 ? 0.0208 0.0191 0.0221 0.0015  -0.0017 0.0012  9   DC  B "C3'" 
167 O  "O3'" . DC  B 3 ? 0.0244 0.0210 0.0290 -0.0049 -0.0017 0.0006  9   DC  B "O3'" 
168 C  "C2'" . DC  B 3 ? 0.0262 0.0271 0.0193 0.0055  -0.0011 0.0022  9   DC  B "C2'" 
169 C  "C1'" . DC  B 3 ? 0.0276 0.0179 0.0220 0.0039  0.0015  0.0013  9   DC  B "C1'" 
170 N  N1    . DC  B 3 ? 0.0266 0.0151 0.0244 0.0021  0.0038  -0.0011 9   DC  B N1    
171 C  C2    . DC  B 3 ? 0.0263 0.0221 0.0217 0.0044  0.0021  0.0029  9   DC  B C2    
172 O  O2    . DC  B 3 ? 0.0263 0.0177 0.0440 0.0017  0.0009  0.0051  9   DC  B O2    
173 N  N3    . DC  B 3 ? 0.0252 0.0188 0.0245 0.0045  0.0019  -0.0020 9   DC  B N3    
174 C  C4    . DC  B 3 ? 0.0277 0.0220 0.0210 0.0005  0.0024  -0.0040 9   DC  B C4    
175 N  N4    . DC  B 3 ? 0.0270 0.0245 0.0350 0.0002  0.0033  -0.0010 9   DC  B N4    
176 C  C5    . DC  B 3 ? 0.0312 0.0217 0.0321 -0.0019 0.0068  -0.0023 9   DC  B C5    
177 C  C6    . DC  B 3 ? 0.0337 0.0156 0.0314 0.0016  0.0065  -0.0033 9   DC  B C6    
178 P  P     . DG  B 4 ? 0.0195 0.0276 0.0305 -0.0058 -0.0022 0.0036  10  DG  B P     
179 O  OP1   . DG  B 4 ? 0.0232 0.0349 0.0292 0.0016  0.0014  0.0068  10  DG  B OP1   
180 O  OP2   . DG  B 4 ? 0.0297 0.0401 0.0561 -0.0150 -0.0001 0.0037  10  DG  B OP2   
181 O  "O5'" . DG  B 4 ? 0.0262 0.0305 0.0251 -0.0008 -0.0057 -0.0039 10  DG  B "O5'" 
182 C  "C5'" . DG  B 4 ? 0.0307 0.0287 0.0292 -0.0039 -0.0080 -0.0003 10  DG  B "C5'" 
183 C  "C4'" . DG  B 4 ? 0.0201 0.0282 0.0208 0.0010  -0.0065 -0.0027 10  DG  B "C4'" 
184 O  "O4'" . DG  B 4 ? 0.0282 0.0325 0.0252 -0.0075 0.0011  -0.0082 10  DG  B "O4'" 
185 C  "C3'" . DG  B 4 ? 0.0196 0.0306 0.0255 0.0007  -0.0065 -0.0044 10  DG  B "C3'" 
186 O  "O3'" . DG  B 4 ? 0.0220 0.0415 0.0360 0.0034  -0.0109 -0.0059 10  DG  B "O3'" 
187 C  "C2'" . DG  B 4 ? 0.0257 0.0372 0.0221 0.0015  -0.0046 -0.0013 10  DG  B "C2'" 
188 C  "C1'" . DG  B 4 ? 0.0265 0.0252 0.0288 0.0010  -0.0009 -0.0072 10  DG  B "C1'" 
189 N  N9    . DG  B 4 ? 0.0255 0.0206 0.0301 -0.0004 -0.0025 -0.0007 10  DG  B N9    
190 C  C8    . DG  B 4 ? 0.0314 0.0226 0.0304 -0.0033 0.0008  -0.0026 10  DG  B C8    
191 N  N7    . DG  B 4 ? 0.0288 0.0270 0.0373 -0.0044 0.0020  -0.0048 10  DG  B N7    
192 C  C5    . DG  B 4 ? 0.0289 0.0267 0.0229 -0.0033 -0.0034 -0.0019 10  DG  B C5    
193 C  C6    . DG  B 4 ? 0.0216 0.0354 0.0249 -0.0046 -0.0007 -0.0063 10  DG  B C6    
194 O  O6    . DG  B 4 ? 0.0222 0.0370 0.0399 0.0010  -0.0031 -0.0029 10  DG  B O6    
195 N  N1    . DG  B 4 ? 0.0235 0.0235 0.0236 0.0057  0.0004  -0.0035 10  DG  B N1    
196 C  C2    . DG  B 4 ? 0.0241 0.0255 0.0187 -0.0007 -0.0026 -0.0026 10  DG  B C2    
197 N  N2    . DG  B 4 ? 0.0252 0.0213 0.0375 0.0015  -0.0045 -0.0012 10  DG  B N2    
198 N  N3    . DG  B 4 ? 0.0243 0.0210 0.0227 0.0021  -0.0044 -0.0038 10  DG  B N3    
199 C  C4    . DG  B 4 ? 0.0250 0.0228 0.0249 0.0003  -0.0015 -0.0031 10  DG  B C4    
200 P  P     . DC  B 5 ? 0.0193 0.0439 0.0294 -0.0041 -0.0052 -0.0057 11  DC  B P     
201 O  OP1   . DC  B 5 ? 0.0176 0.0616 0.0335 -0.0016 -0.0014 -0.0117 11  DC  B OP1   
202 O  OP2   . DC  B 5 ? 0.0568 0.0732 0.0814 -0.0413 -0.0358 0.0294  11  DC  B OP2   
203 O  "O5'" . DC  B 5 ? 0.0182 0.0969 0.0622 -0.0041 -0.0064 -0.0479 11  DC  B "O5'" 
204 C  "C5'" . DC  B 5 ? 0.0131 0.0550 0.0378 0.0016  -0.0006 -0.0149 11  DC  B "C5'" 
205 C  "C4'" . DC  B 5 ? 0.0105 0.0573 0.0239 -0.0026 -0.0017 -0.0070 11  DC  B "C4'" 
206 O  "O4'" . DC  B 5 ? 0.0103 0.0689 0.0215 0.0018  -0.0017 0.0008  11  DC  B "O4'" 
207 C  "C3'" . DC  B 5 ? 0.0215 0.0587 0.0277 -0.0054 -0.0030 -0.0056 11  DC  B "C3'" 
208 O  "O3'" . DC  B 5 ? 0.0244 0.0631 0.0422 0.0047  -0.0075 0.0024  11  DC  B "O3'" 
209 C  "C2'" . DC  B 5 ? 0.0260 0.0751 0.0289 -0.0112 -0.0070 0.0139  11  DC  B "C2'" 
210 C  "C1'" . DC  B 5 ? 0.0163 0.0461 0.0328 0.0017  -0.0032 -0.0020 11  DC  B "C1'" 
211 N  N1    . DC  B 5 ? 0.0132 0.0435 0.0225 0.0018  -0.0033 -0.0028 11  DC  B N1    
212 C  C2    . DC  B 5 ? 0.0156 0.0333 0.0236 0.0040  0.0020  -0.0070 11  DC  B C2    
213 O  O2    . DC  B 5 ? 0.0148 0.0366 0.0575 0.0046  -0.0107 -0.0101 11  DC  B O2    
214 N  N3    . DC  B 5 ? 0.0158 0.0344 0.0232 -0.0001 0.0032  -0.0039 11  DC  B N3    
215 C  C4    . DC  B 5 ? 0.0218 0.0384 0.0183 0.0025  0.0061  -0.0026 11  DC  B C4    
216 N  N4    . DC  B 5 ? 0.0281 0.0340 0.0322 -0.0012 0.0039  -0.0025 11  DC  B N4    
217 C  C5    . DC  B 5 ? 0.0224 0.0429 0.0307 0.0084  0.0042  0.0054  11  DC  B C5    
218 C  C6    . DC  B 5 ? 0.0190 0.0488 0.0273 0.0121  0.0031  0.0037  11  DC  B C6    
219 P  P     . DG  B 6 ? 0.0425 0.0462 0.0465 -0.0033 -0.0165 0.0074  12  DG  B P     
220 O  OP1   . DG  B 6 ? 0.0570 0.0834 0.0410 -0.0302 -0.0063 0.0165  12  DG  B OP1   
221 O  OP2   . DG  B 6 ? 0.0903 0.0585 0.0858 0.0116  -0.0503 0.0053  12  DG  B OP2   
222 O  "O5'" . DG  B 6 ? 0.0261 0.0520 0.0364 0.0016  -0.0078 -0.0022 12  DG  B "O5'" 
223 C  "C5'" . DG  B 6 ? 0.0279 0.0408 0.0377 0.0081  -0.0093 -0.0061 12  DG  B "C5'" 
224 C  "C4'" . DG  B 6 ? 0.0160 0.0300 0.0358 0.0037  -0.0016 -0.0068 12  DG  B "C4'" 
225 O  "O4'" . DG  B 6 ? 0.0196 0.0346 0.0280 -0.0006 0.0050  -0.0055 12  DG  B "O4'" 
226 C  "C3'" . DG  B 6 ? 0.0124 0.0386 0.0348 0.0067  -0.0036 -0.0067 12  DG  B "C3'" 
227 O  "O3'" . DG  B 6 ? 0.0127 0.0407 0.0423 0.0016  -0.0074 -0.0051 12  DG  B "O3'" 
228 C  "C2'" . DG  B 6 ? 0.0147 0.0454 0.0305 0.0037  -0.0010 -0.0068 12  DG  B "C2'" 
229 C  "C1'" . DG  B 6 ? 0.0106 0.0381 0.0313 0.0033  -0.0027 -0.0039 12  DG  B "C1'" 
230 N  N9    . DG  B 6 ? 0.0105 0.0397 0.0278 0.0048  -0.0020 0.0006  12  DG  B N9    
231 C  C8    . DG  B 6 ? 0.0184 0.0319 0.0401 0.0071  -0.0054 0.0022  12  DG  B C8    
232 N  N7    . DG  B 6 ? 0.0180 0.0345 0.0435 0.0068  -0.0071 0.0053  12  DG  B N7    
233 C  C5    . DG  B 6 ? 0.0148 0.0334 0.0285 0.0028  0.0007  0.0046  12  DG  B C5    
234 C  C6    . DG  B 6 ? 0.0175 0.0296 0.0331 0.0012  -0.0020 0.0034  12  DG  B C6    
235 O  O6    . DG  B 6 ? 0.0225 0.0365 0.0519 -0.0017 -0.0007 0.0097  12  DG  B O6    
236 N  N1    . DG  B 6 ? 0.0108 0.0377 0.0261 0.0028  0.0033  0.0008  12  DG  B N1    
237 C  C2    . DG  B 6 ? 0.0138 0.0356 0.0221 0.0072  0.0008  -0.0029 12  DG  B C2    
238 N  N2    . DG  B 6 ? 0.0126 0.0369 0.0441 0.0058  -0.0027 -0.0076 12  DG  B N2    
239 N  N3    . DG  B 6 ? 0.0134 0.0334 0.0237 0.0042  0.0001  -0.0032 12  DG  B N3    
240 C  C4    . DG  B 6 ? 0.0098 0.0359 0.0227 0.0041  -0.0031 -0.0004 12  DG  B C4    
241 N  N1    . SPK C . ? 0.0208 0.0280 0.0379 -0.0056 -0.0029 -0.0007 101 SPK A N1    
242 C  C2    . SPK C . ? 0.0268 0.0363 0.0409 -0.0085 0.0014  -0.0116 101 SPK A C2    
243 C  C3    . SPK C . ? 0.0295 0.0333 0.0561 -0.0100 0.0025  -0.0129 101 SPK A C3    
244 C  C4    . SPK C . ? 0.0305 0.0339 0.0522 -0.0052 -0.0007 0.0075  101 SPK A C4    
245 N  N5    . SPK C . ? 0.0437 0.0330 0.0391 -0.0115 -0.0073 -0.0047 101 SPK A N5    
246 C  C6    . SPK C . ? 0.0507 0.0496 0.0785 0.0100  -0.0109 -0.0182 101 SPK A C6    
247 C  C7    . SPK C . ? 0.0729 0.0478 0.1628 0.0101  -0.0507 -0.0049 101 SPK A C7    
248 C  C8    A SPK C . ? 0.0288 0.0334 0.0425 0.0082  0.0002  -0.0260 101 SPK A C8    
249 C  C8    B SPK C . ? 0.0475 0.1232 0.1668 0.0111  -0.0175 0.0472  101 SPK A C8    
250 C  C9    . SPK C . ? 0.1795 0.0713 0.1799 -0.0020 -0.1161 0.0223  101 SPK A C9    
251 N  N10   . SPK C . ? 0.0377 0.0384 0.1477 -0.0087 -0.0115 0.0053  101 SPK A N10   
252 C  C11   . SPK C . ? 0.0486 0.0435 0.1170 0.0002  -0.0126 -0.0005 101 SPK A C11   
253 C  C12   . SPK C . ? 0.0728 0.0855 0.0996 -0.0171 0.0005  -0.0015 101 SPK A C12   
254 C  C13   A SPK C . ? 0.3479 0.1439 0.1993 -0.0091 -0.0970 0.0758  101 SPK A C13   
255 C  C13   B SPK C . ? 0.0902 0.0803 0.0529 0.0566  -0.0936 -0.0566 101 SPK A C13   
256 N  N14   A SPK C . ? 0.2531 0.1179 0.3689 0.0011  -0.2639 0.0062  101 SPK A N14   
257 N  N14   B SPK C . ? 0.1194 0.0196 0.0337 0.0378  -0.0454 -0.0289 101 SPK A N14   
258 MN MN    . MN  D . ? 0.0138 0.0257 0.0322 0.0027  -0.0040 -0.0004 102 MN  A MN    
259 O  O     . HOH E . ? 0.0162 0.0248 0.0409 0.0002  0.0003  0.0003  201 HOH A O     
260 O  O     . HOH E . ? 0.0208 0.0423 0.0284 -0.0023 0.0005  -0.0028 202 HOH A O     
261 O  O     A HOH E . ? 0.0060 0.0469 0.0160 -0.0139 -0.0012 -0.0022 203 HOH A O     
262 O  O     B HOH E . ? 0.0949 0.0822 0.0521 0.0232  0.0211  0.0187  203 HOH A O     
263 O  O     . HOH E . ? 0.0334 0.0509 0.0515 -0.0061 -0.0114 0.0096  204 HOH A O     
264 O  O     . HOH E . ? 0.0497 0.0826 0.0791 -0.0079 0.0064  0.0199  205 HOH A O     
265 O  O     . HOH E . ? 0.0441 0.0509 0.0704 0.0077  0.0000  -0.0160 206 HOH A O     
266 O  O     . HOH E . ? 0.0489 0.0253 0.0412 0.0045  -0.0132 -0.0087 207 HOH A O     
267 O  O     . HOH E . ? 0.0220 0.0266 0.0437 -0.0034 0.0039  -0.0038 208 HOH A O     
268 O  O     . HOH E . ? 0.0653 0.0547 0.0730 0.0011  0.0082  -0.0053 209 HOH A O     
269 O  O     . HOH E . ? 0.0533 0.0435 0.0552 -0.0036 0.0111  -0.0088 210 HOH A O     
270 O  O     . HOH E . ? 0.0280 0.0326 0.0348 -0.0054 0.0058  0.0025  211 HOH A O     
271 O  O     A HOH E . ? 0.0135 0.0320 0.0352 -0.0119 -0.0061 0.0222  212 HOH A O     
272 O  O     B HOH E . ? 0.2941 0.1180 0.1271 -0.0831 -0.0640 0.0573  212 HOH A O     
273 O  O     A HOH E . ? 0.0044 0.0189 0.0386 -0.0068 -0.0034 0.0102  213 HOH A O     
274 O  O     B HOH E . ? 0.1566 0.1775 0.2724 -0.0865 -0.1450 0.0469  213 HOH A O     
275 O  O     . HOH E . ? 0.0182 0.0248 0.0519 0.0025  -0.0017 0.0098  214 HOH A O     
276 O  O     . HOH E . ? 0.0563 0.0519 0.0515 -0.0087 -0.0084 -0.0018 215 HOH A O     
277 O  O     A HOH E . ? 0.0252 0.0335 0.0433 -0.0126 -0.0096 0.0007  216 HOH A O     
278 O  O     B HOH E . ? 0.0524 0.0492 0.1073 -0.0219 -0.0096 0.0224  216 HOH A O     
279 O  O     A HOH E . ? 0.0183 0.0346 0.0230 -0.0012 0.0037  -0.0127 217 HOH A O     
280 O  O     B HOH E . ? 0.1269 0.1271 0.1734 -0.0117 0.0031  0.0168  217 HOH A O     
281 O  O     A HOH E . ? 0.0345 0.0169 0.0678 -0.0049 -0.0187 0.0065  218 HOH A O     
282 O  O     B HOH E . ? 0.0854 0.3929 0.0476 0.0665  -0.0034 0.0106  218 HOH A O     
283 O  O     . HOH E . ? 0.0619 0.1219 0.0583 0.0180  0.0161  0.0302  219 HOH A O     
284 O  O     . HOH E . ? 0.0648 0.0810 0.1049 -0.0052 -0.0028 0.0675  220 HOH A O     
285 O  O     A HOH E . ? 0.0498 0.0282 0.0454 0.0050  -0.0014 0.0016  221 HOH A O     
286 O  O     B HOH E . ? 0.4177 0.1152 0.1799 -0.0003 -0.1150 -0.0010 221 HOH A O     
287 O  O     A HOH E . ? 0.0000 0.0134 0.0240 -0.0106 -0.0067 0.0011  222 HOH A O     
288 O  O     B HOH E . ? 0.3777 0.1228 0.0992 -0.0864 0.1046  -0.0256 222 HOH A O     
289 O  O     A HOH E . ? 0.0499 0.0589 0.0769 -0.0006 -0.0159 -0.0087 223 HOH A O     
290 O  O     B HOH E . ? 0.0591 0.0472 0.0972 0.0017  0.0065  0.0111  223 HOH A O     
291 O  O     A HOH E . ? 0.0627 0.0925 0.1367 -0.0427 -0.0168 0.0390  224 HOH A O     
292 O  O     B HOH E . ? 0.2002 0.2802 0.2478 0.1199  0.0248  -0.0454 224 HOH A O     
293 O  O     . HOH E . ? 0.1092 0.1009 0.0927 0.0073  -0.0012 0.0136  225 HOH A O     
294 O  O     . HOH E . ? 0.1736 0.2582 0.0733 -0.1375 0.0251  0.0119  226 HOH A O     
295 O  O     . HOH E . ? 0.2634 0.1116 0.2094 0.0791  -0.0128 -0.0434 227 HOH A O     
296 O  O     . HOH E . ? 0.1253 0.0666 0.1156 -0.0404 -0.0644 0.0136  228 HOH A O     
297 O  O     . HOH E . ? 0.0174 0.0270 0.0664 0.0047  -0.0050 0.0006  229 HOH A O     
298 O  O     . HOH E . ? 0.0383 0.0329 0.0393 -0.0072 0.0007  0.0058  230 HOH A O     
299 O  O     . HOH E . ? 0.1352 0.0706 0.0785 0.0167  -0.0085 0.0061  231 HOH A O     
300 O  O     . HOH E . ? 0.1140 0.1239 0.1406 0.0055  0.0444  0.0842  232 HOH A O     
301 O  O     . HOH E . ? 0.0811 0.0359 0.0615 0.0032  0.0008  0.0007  233 HOH A O     
302 O  O     . HOH E . ? 0.1775 0.1291 0.2354 -0.0198 -0.0309 0.0370  234 HOH A O     
303 O  O     . HOH E . ? 0.2853 0.5901 0.1432 -0.1825 0.0108  0.0945  235 HOH A O     
304 O  O     . HOH E . ? 0.5539 0.3430 0.3132 -0.2191 0.3248  -0.1574 236 HOH A O     
305 O  O     . HOH E . ? 0.0406 0.0956 0.1300 0.0044  0.0210  0.0402  237 HOH A O     
306 O  O     . HOH E . ? 0.0469 0.0091 0.0048 -0.0058 -0.0076 0.0053  238 HOH A O     
307 O  O     . HOH E . ? 0.3849 0.6854 0.1606 0.1151  0.0385  0.1596  239 HOH A O     
308 O  O     . HOH E . ? 0.1087 0.2812 0.1596 -0.0461 -0.0106 0.0908  240 HOH A O     
309 O  O     . HOH E . ? 0.0101 0.0294 0.0216 -0.0037 -0.0166 0.0181  241 HOH A O     
310 O  O     . HOH E . ? 0.3291 0.0501 0.5021 -0.0045 0.0682  0.0674  242 HOH A O     
311 O  O     . HOH E . ? 0.0651 0.0911 0.0672 0.0176  -0.0217 -0.0070 243 HOH A O     
312 O  O     . HOH E . ? 0.0490 0.0468 0.0453 -0.0135 0.0073  0.0185  244 HOH A O     
313 O  O     A HOH E . ? 0.4086 0.1378 0.1558 0.0003  -0.0156 -0.0579 245 HOH A O     
314 O  O     B HOH E . ? 0.2899 0.1427 0.1430 -0.0774 -0.0485 -0.0087 245 HOH A O     
315 O  O     . HOH E . ? 0.7239 0.4252 0.1350 0.1864  -0.0111 0.0830  246 HOH A O     
316 O  O     . HOH E . ? 0.0074 0.0131 0.0082 -0.0072 -0.0024 0.0083  247 HOH A O     
317 O  O     . HOH E . ? 0.5951 0.8869 0.4316 0.1963  0.0486  -0.1172 248 HOH A O     
318 O  O     . HOH E . ? 0.8621 0.4621 1.0010 -0.5312 0.2068  -0.1586 249 HOH A O     
319 O  O     A HOH E . ? 0.0244 0.0306 0.0327 0.0026  0.0055  0.0130  250 HOH A O     
320 O  O     B HOH E . ? 0.0894 0.0518 0.1256 0.0005  0.0209  -0.0063 250 HOH A O     
321 O  O     . HOH E . ? 0.0221 0.0345 0.1055 0.0112  -0.0215 -0.0159 251 HOH A O     
322 O  O     . HOH E . ? 0.0362 0.0239 0.0617 0.0009  -0.0307 0.0003  252 HOH A O     
323 O  O     . HOH E . ? 0.9090 0.9260 0.7748 -0.0631 0.1781  -0.0705 253 HOH A O     
324 O  O     . HOH F . ? 0.0192 0.0312 0.0411 -0.0075 -0.0027 0.0098  101 HOH B O     
325 O  O     . HOH F . ? 0.0244 0.0227 0.0355 -0.0010 0.0017  0.0027  102 HOH B O     
326 O  O     . HOH F . ? 0.0250 0.0288 0.0508 0.0042  0.0063  0.0009  103 HOH B O     
327 O  O     . HOH F . ? 0.0292 0.0307 0.0416 -0.0036 -0.0050 0.0082  104 HOH B O     
328 O  O     . HOH F . ? 0.0546 0.0385 0.0452 -0.0048 -0.0112 -0.0051 105 HOH B O     
329 O  O     . HOH F . ? 0.0267 0.0245 0.0384 -0.0028 0.0005  -0.0010 106 HOH B O     
330 O  O     . HOH F . ? 0.0177 0.0364 0.0537 0.0059  0.0004  0.0022  107 HOH B O     
331 O  O     A HOH F . ? 0.0212 0.0325 0.0456 -0.0078 -0.0080 0.0053  108 HOH B O     
332 O  O     B HOH F . ? 0.1144 0.0870 0.2346 -0.0281 0.0933  0.0011  108 HOH B O     
333 O  O     . HOH F . ? 0.0462 0.0584 0.0420 -0.0044 -0.0013 -0.0032 109 HOH B O     
334 O  O     . HOH F . ? 0.0328 0.0228 0.0461 0.0044  0.0005  -0.0024 110 HOH B O     
335 O  O     . HOH F . ? 0.0707 0.0755 0.0397 0.0455  0.0043  0.0063  111 HOH B O     
336 O  O     A HOH F . ? 0.0320 0.0363 0.0161 0.0234  -0.0077 -0.0110 112 HOH B O     
337 O  O     B HOH F . ? 0.0448 0.2886 0.1672 0.0067  0.0635  -0.0342 112 HOH B O     
338 O  O     . HOH F . ? 0.0175 0.0246 0.0746 0.0004  -0.0012 -0.0055 113 HOH B O     
339 O  O     . HOH F . ? 0.0274 0.0398 0.0508 0.0067  0.0029  0.0026  114 HOH B O     
340 O  O     . HOH F . ? 0.0383 0.0362 0.0650 0.0012  0.0042  0.0010  115 HOH B O     
341 O  O     . HOH F . ? 0.0427 0.0538 0.1641 -0.0233 -0.0417 0.0548  116 HOH B O     
342 O  O     A HOH F . ? 0.0341 0.0230 0.0384 0.0059  -0.0055 -0.0043 117 HOH B O     
343 O  O     B HOH F . ? 0.2357 0.0955 0.1558 0.0369  0.0284  0.0184  117 HOH B O     
344 O  O     A HOH F . ? 0.0204 0.0399 0.0550 0.0048  -0.0144 -0.0053 118 HOH B O     
345 O  O     B HOH F . ? 0.0559 0.2018 0.0758 -0.0148 -0.0052 0.0016  118 HOH B O     
346 O  O     A HOH F . ? 0.0247 0.0306 0.0356 -0.0150 -0.0011 0.0061  119 HOH B O     
347 O  O     B HOH F . ? 0.2354 0.0529 0.1644 -0.0035 0.0638  -0.0175 119 HOH B O     
348 O  O     A HOH F . ? 0.1164 0.1532 0.2180 -0.0129 0.0038  0.0382  120 HOH B O     
349 O  O     B HOH F . ? 0.1140 0.0848 0.0826 -0.0273 -0.0020 0.0397  120 HOH B O     
350 O  O     A HOH F . ? 0.0206 0.0218 0.0199 0.0043  0.0048  0.0037  121 HOH B O     
351 O  O     B HOH F . ? 0.1596 0.1120 0.2213 -0.0145 -0.0113 -0.0081 121 HOH B O     
352 O  O     . HOH F . ? 0.0115 0.0106 0.0189 -0.0031 0.0046  -0.0014 122 HOH B O     
353 O  O     . HOH F . ? 0.0400 0.0815 0.2118 0.0208  0.0255  0.0742  123 HOH B O     
354 O  O     . HOH F . ? 0.0479 0.0373 0.3607 0.0197  -0.1008 -0.0713 124 HOH B O     
355 O  O     . HOH F . ? 0.2072 0.4157 0.3128 0.2259  -0.1895 -0.2046 125 HOH B O     
356 O  O     . HOH F . ? 0.2426 0.1962 0.5931 -0.1465 0.0940  -0.0100 126 HOH B O     
357 O  O     . HOH F . ? 0.5658 0.1069 0.1380 -0.0310 0.0666  0.0037  127 HOH B O     
358 O  O     . HOH F . ? 0.4146 0.0955 0.4121 -0.1254 0.2010  -0.1148 128 HOH B O     
359 O  O     . HOH F . ? 0.1778 0.0651 0.7539 0.0174  -0.2509 -0.0890 129 HOH B O     
360 O  O     A HOH F . ? 0.0443 0.0719 0.1671 0.0022  0.0224  0.0329  130 HOH B O     
361 O  O     B HOH F . ? 0.0690 0.1413 0.4551 -0.0300 -0.0082 -0.0340 130 HOH B O     
362 O  O     . HOH F . ? 0.0758 0.0632 0.0816 0.0110  0.0364  -0.0007 131 HOH B O     
363 O  O     . HOH F . ? 0.1335 0.1343 0.3166 0.0057  -0.1277 0.0938  132 HOH B O     
364 O  O     A HOH F . ? 0.2785 0.1561 0.1045 0.0792  0.0423  0.0416  133 HOH B O     
365 O  O     B HOH F . ? 0.0280 0.0585 0.0941 -0.0130 0.0219  -0.0025 133 HOH B O     
366 O  O     . HOH F . ? 0.0701 0.1996 0.1426 0.0092  0.0360  0.1022  134 HOH B O     
367 O  O     . HOH F . ? 0.0307 0.0471 0.0622 -0.0049 -0.0048 -0.0012 135 HOH B O     
368 O  O     . HOH F . ? 0.0279 0.0388 0.0485 -0.0033 -0.0034 0.0050  136 HOH B O     
369 O  O     . HOH F . ? 0.2818 0.1153 0.1977 -0.0356 0.0160  0.0547  137 HOH B O     
370 O  O     . HOH F . ? 0.0264 0.0237 0.0526 -0.0054 -0.0036 -0.0038 138 HOH B O     
371 O  O     . HOH F . ? 0.7920 0.1064 0.5969 0.1466  -0.1672 -0.0272 139 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 
# 
_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 
# 
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)' 940  ? 
1 MORE         -13  ? 
1 'SSA (A^2)'  2620 ? 
# 
_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  O  B E HOH . ? A HOH 250 ? 1_555 MN ? D MN . ? A MN 102 ? 1_555 O  A E HOH . ? A HOH 203 ? 1_555 148.2 ? 
2  O  B E HOH . ? A HOH 250 ? 1_555 MN ? D MN . ? A MN 102 ? 1_555 O  ? E HOH . ? A HOH 252 ? 1_555 118.9 ? 
3  O  A E HOH . ? A HOH 203 ? 1_555 MN ? D MN . ? A MN 102 ? 1_555 O  ? E HOH . ? A HOH 252 ? 1_555 92.2  ? 
4  O  B E HOH . ? A HOH 250 ? 1_555 MN ? D MN . ? A MN 102 ? 1_555 O  ? E HOH . ? A HOH 251 ? 1_555 84.6  ? 
5  O  A E HOH . ? A HOH 203 ? 1_555 MN ? D MN . ? A MN 102 ? 1_555 O  ? E HOH . ? A HOH 251 ? 1_555 92.4  ? 
6  O  ? E HOH . ? A HOH 252 ? 1_555 MN ? D MN . ? A MN 102 ? 1_555 O  ? E HOH . ? A HOH 251 ? 1_555 85.0  ? 
7  O  B E HOH . ? A HOH 250 ? 1_555 MN ? D MN . ? A MN 102 ? 1_555 O  A E HOH . ? A HOH 216 ? 1_555 51.5  ? 
8  O  A E HOH . ? A HOH 203 ? 1_555 MN ? D MN . ? A MN 102 ? 1_555 O  A E HOH . ? A HOH 216 ? 1_555 96.9  ? 
9  O  ? E HOH . ? A HOH 252 ? 1_555 MN ? D MN . ? A MN 102 ? 1_555 O  A E HOH . ? A HOH 216 ? 1_555 169.0 ? 
10 O  ? E HOH . ? A HOH 251 ? 1_555 MN ? D MN . ? A MN 102 ? 1_555 O  A E HOH . ? A HOH 216 ? 1_555 88.4  ? 
11 O  B E HOH . ? A HOH 250 ? 1_555 MN ? D MN . ? A MN 102 ? 1_555 O  A E HOH . ? A HOH 250 ? 1_555 28.4  ? 
12 O  A E HOH . ? A HOH 203 ? 1_555 MN ? D MN . ? A MN 102 ? 1_555 O  A E HOH . ? A HOH 250 ? 1_555 174.3 ? 
13 O  ? E HOH . ? A HOH 252 ? 1_555 MN ? D MN . ? A MN 102 ? 1_555 O  A E HOH . ? A HOH 250 ? 1_555 92.3  ? 
14 O  ? E HOH . ? A HOH 251 ? 1_555 MN ? D MN . ? A MN 102 ? 1_555 O  A E HOH . ? A HOH 250 ? 1_555 91.5  ? 
15 O  A E HOH . ? A HOH 216 ? 1_555 MN ? D MN . ? A MN 102 ? 1_555 O  A E HOH . ? A HOH 250 ? 1_555 79.1  ? 
16 O  B E HOH . ? A HOH 250 ? 1_555 MN ? D MN . ? A MN 102 ? 1_555 O  B E HOH . ? A HOH 216 ? 1_555 79.1  ? 
17 O  A E HOH . ? A HOH 203 ? 1_555 MN ? D MN . ? A MN 102 ? 1_555 O  B E HOH . ? A HOH 216 ? 1_555 69.7  ? 
18 O  ? E HOH . ? A HOH 252 ? 1_555 MN ? D MN . ? A MN 102 ? 1_555 O  B E HOH . ? A HOH 216 ? 1_555 161.9 ? 
19 O  ? E HOH . ? A HOH 251 ? 1_555 MN ? D MN . ? A MN 102 ? 1_555 O  B E HOH . ? A HOH 216 ? 1_555 95.4  ? 
20 O  A E HOH . ? A HOH 216 ? 1_555 MN ? D MN . ? A MN 102 ? 1_555 O  B E HOH . ? A HOH 216 ? 1_555 27.9  ? 
21 O  A E HOH . ? A HOH 250 ? 1_555 MN ? D MN . ? A MN 102 ? 1_555 O  B E HOH . ? A HOH 216 ? 1_555 105.8 ? 
22 O  B E HOH . ? A HOH 250 ? 1_555 MN ? D MN . ? A MN 102 ? 1_555 N7 ? A DG  6 ? A DG  6   ? 1_555 92.5  ? 
23 O  A E HOH . ? A HOH 203 ? 1_555 MN ? D MN . ? A MN 102 ? 1_555 N7 ? A DG  6 ? A DG  6   ? 1_555 91.6  ? 
24 O  ? E HOH . ? A HOH 252 ? 1_555 MN ? D MN . ? A MN 102 ? 1_555 N7 ? A DG  6 ? A DG  6   ? 1_555 93.8  ? 
25 O  ? E HOH . ? A HOH 251 ? 1_555 MN ? D MN . ? A MN 102 ? 1_555 N7 ? A DG  6 ? A DG  6   ? 1_555 175.9 ? 
26 O  A E HOH . ? A HOH 216 ? 1_555 MN ? D MN . ? A MN 102 ? 1_555 N7 ? A DG  6 ? A DG  6   ? 1_555 92.1  ? 
27 O  A E HOH . ? A HOH 250 ? 1_555 MN ? D MN . ? A MN 102 ? 1_555 N7 ? A DG  6 ? A DG  6   ? 1_555 84.6  ? 
28 O  B E HOH . ? A HOH 216 ? 1_555 MN ? D MN . ? A MN 102 ? 1_555 N7 ? A DG  6 ? A DG  6   ? 1_555 87.0  ? 
29 O  B E HOH . ? A HOH 250 ? 1_555 MN ? D MN . ? A MN 102 ? 1_555 O  B E HOH . ? A HOH 203 ? 1_555 155.4 ? 
30 O  A E HOH . ? A HOH 203 ? 1_555 MN ? D MN . ? A MN 102 ? 1_555 O  B E HOH . ? A HOH 203 ? 1_555 8.4   ? 
31 O  ? E HOH . ? A HOH 252 ? 1_555 MN ? D MN . ? A MN 102 ? 1_555 O  B E HOH . ? A HOH 203 ? 1_555 85.6  ? 
32 O  ? E HOH . ? A HOH 251 ? 1_555 MN ? D MN . ? A MN 102 ? 1_555 O  B E HOH . ? A HOH 203 ? 1_555 97.0  ? 
33 O  A E HOH . ? A HOH 216 ? 1_555 MN ? D MN . ? A MN 102 ? 1_555 O  B E HOH . ? A HOH 203 ? 1_555 103.9 ? 
34 O  A E HOH . ? A HOH 250 ? 1_555 MN ? D MN . ? A MN 102 ? 1_555 O  B E HOH . ? A HOH 203 ? 1_555 171.0 ? 
35 O  B E HOH . ? A HOH 216 ? 1_555 MN ? D MN . ? A MN 102 ? 1_555 O  B E HOH . ? A HOH 203 ? 1_555 76.3  ? 
36 N7 ? A DG  6 ? A DG  6   ? 1_555 MN ? D MN . ? A MN 102 ? 1_555 O  B E HOH . ? A HOH 203 ? 1_555 86.8  ? 
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2013-06-05 
# 
_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_
_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 
XSCALE    'data scaling'    . ? 5 
# 
_ndb_struct_conf_na.entry_id   4HIG 
_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 -0.251 -0.165 0.253  0.652  -2.477 1.004 1 A_DC1:DG12_B A 1 ? B 12 ? 19 1 
1 A DG 2 1_555 B DC 5 1_555 0.241  -0.168 -0.103 -7.376 -5.475 1.952 2 A_DG2:DC11_B A 2 ? B 11 ? 19 1 
1 A DC 3 1_555 B DG 4 1_555 -0.252 -0.151 -0.040 5.260  -4.092 1.825 3 A_DC3:DG10_B A 3 ? B 10 ? 19 1 
1 A DG 4 1_555 B DC 3 1_555 0.199  -0.136 0.058  -8.235 0.677  2.372 4 A_DG4:DC9_B  A 4 ? B 9  ? 19 1 
1 A DC 5 1_555 B DG 2 1_555 -0.119 -0.128 -0.027 0.716  0.159  3.118 5 A_DC5:DG8_B  A 5 ? B 8  ? 19 1 
1 A DG 6 1_555 B DC 1 1_555 0.321  -0.185 0.230  3.877  6.111  2.825 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 -0.026 5.226  3.669 1.533 -3.730 -4.646  -17.767 12.471 5.945 37.900 15.580 
-6.152  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 -0.022 -1.004 3.191 0.082 -5.373 -53.052 1.447   -0.020 3.083 5.998  0.092  
-53.304 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 -0.082 5.473  3.774 0.217 -3.119 -5.484  -26.287 0.879  5.984 29.638 2.058  
-6.312  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 -0.252 -0.831 3.219 0.825 -1.893 -53.736 1.035   -0.228 3.193 2.093  0.912  
-53.773 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 0.037  5.065  3.406 0.888 -1.376 -6.660  -35.777 4.545  4.318 11.616 7.495  
-6.858  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 'SPERMINE (FULLY PROTONATED FORM)' SPK 
3 'MANGANESE (II) ION'               MN  
4 water                              HOH 
# 
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 SPK 1  101 13  SPK SPK A . 
D 3 MN  1  102 14  MN  MN  A . 
E 4 HOH 1  201 16  HOH HOH A . 
E 4 HOH 2  202 17  HOH HOH A . 
E 4 HOH 3  203 19  HOH HOH A . 
E 4 HOH 4  204 20  HOH HOH A . 
E 4 HOH 5  205 23  HOH HOH A . 
E 4 HOH 6  206 27  HOH HOH A . 
E 4 HOH 7  207 28  HOH HOH A . 
E 4 HOH 8  208 29  HOH HOH A . 
E 4 HOH 9  209 31  HOH HOH A . 
E 4 HOH 10 210 33  HOH HOH A . 
E 4 HOH 11 211 36  HOH HOH A . 
E 4 HOH 12 212 39  HOH HOH A . 
E 4 HOH 13 213 40  HOH HOH A . 
E 4 HOH 14 214 41  HOH HOH A . 
E 4 HOH 15 215 45  HOH HOH A . 
E 4 HOH 16 216 47  HOH HOH A . 
E 4 HOH 17 217 49  HOH HOH A . 
E 4 HOH 18 218 50  HOH HOH A . 
E 4 HOH 19 219 52  HOH HOH A . 
E 4 HOH 20 220 53  HOH HOH A . 
E 4 HOH 21 221 54  HOH HOH A . 
E 4 HOH 22 222 55  HOH HOH A . 
E 4 HOH 23 223 56  HOH HOH A . 
E 4 HOH 24 224 62  HOH HOH A . 
E 4 HOH 25 225 64  HOH HOH A . 
E 4 HOH 26 226 65  HOH HOH A . 
E 4 HOH 27 227 66  HOH HOH A . 
E 4 HOH 28 228 68  HOH HOH A . 
E 4 HOH 29 229 69  HOH HOH A . 
E 4 HOH 30 230 70  HOH HOH A . 
E 4 HOH 31 231 73  HOH HOH A . 
E 4 HOH 32 232 74  HOH HOH A . 
E 4 HOH 33 233 75  HOH HOH A . 
E 4 HOH 34 234 76  HOH HOH A . 
E 4 HOH 35 235 79  HOH HOH A . 
E 4 HOH 36 236 80  HOH HOH A . 
E 4 HOH 37 237 84  HOH HOH A . 
E 4 HOH 38 238 86  HOH HOH A . 
E 4 HOH 39 239 87  HOH HOH A . 
E 4 HOH 40 240 89  HOH HOH A . 
E 4 HOH 41 241 90  HOH HOH A . 
E 4 HOH 42 242 91  HOH HOH A . 
E 4 HOH 43 243 93  HOH HOH A . 
E 4 HOH 44 244 94  HOH HOH A . 
E 4 HOH 45 245 99  HOH HOH A . 
E 4 HOH 46 246 102 HOH HOH A . 
E 4 HOH 47 247 103 HOH HOH A . 
E 4 HOH 48 248 104 HOH HOH A . 
E 4 HOH 49 249 105 HOH HOH A . 
E 4 HOH 50 250 106 HOH HOH A . 
E 4 HOH 51 251 107 HOH HOH A . 
E 4 HOH 52 252 108 HOH HOH A . 
E 4 HOH 53 253 109 HOH HOH A . 
F 4 HOH 1  101 15  HOH HOH B . 
F 4 HOH 2  102 18  HOH HOH B . 
F 4 HOH 3  103 21  HOH HOH B . 
F 4 HOH 4  104 22  HOH HOH B . 
F 4 HOH 5  105 24  HOH HOH B . 
F 4 HOH 6  106 26  HOH HOH B . 
F 4 HOH 7  107 32  HOH HOH B . 
F 4 HOH 8  108 34  HOH HOH B . 
F 4 HOH 9  109 35  HOH HOH B . 
F 4 HOH 10 110 37  HOH HOH B . 
F 4 HOH 11 111 38  HOH HOH B . 
F 4 HOH 12 112 42  HOH HOH B . 
F 4 HOH 13 113 43  HOH HOH B . 
F 4 HOH 14 114 46  HOH HOH B . 
F 4 HOH 15 115 48  HOH HOH B . 
F 4 HOH 16 116 51  HOH HOH B . 
F 4 HOH 17 117 57  HOH HOH B . 
F 4 HOH 18 118 58  HOH HOH B . 
F 4 HOH 19 119 59  HOH HOH B . 
F 4 HOH 20 120 60  HOH HOH B . 
F 4 HOH 21 121 61  HOH HOH B . 
F 4 HOH 22 122 63  HOH HOH B . 
F 4 HOH 23 123 67  HOH HOH B . 
F 4 HOH 24 124 71  HOH HOH B . 
F 4 HOH 25 125 72  HOH HOH B . 
F 4 HOH 26 126 77  HOH HOH B . 
F 4 HOH 27 127 78  HOH HOH B . 
F 4 HOH 28 128 81  HOH HOH B . 
F 4 HOH 29 129 82  HOH HOH B . 
F 4 HOH 30 130 83  HOH HOH B . 
F 4 HOH 31 131 85  HOH HOH B . 
F 4 HOH 32 132 88  HOH HOH B . 
F 4 HOH 33 133 92  HOH HOH B . 
F 4 HOH 34 134 95  HOH HOH B . 
F 4 HOH 35 135 96  HOH HOH B . 
F 4 HOH 36 136 97  HOH HOH B . 
F 4 HOH 37 137 98  HOH HOH B . 
F 4 HOH 38 138 100 HOH HOH B . 
F 4 HOH 39 139 101 HOH HOH B . 
# 
