data_1RRU
# 
_entry.id   1RRU 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    4.008 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
PDB  1RRU       
NDB  UP0004     
RCSB RCSB020994 
# 
loop_
_database_PDB_rev.num 
_database_PDB_rev.date 
_database_PDB_rev.date_original 
_database_PDB_rev.status 
_database_PDB_rev.replaces 
_database_PDB_rev.mod_type 
1 2004-01-13 2003-12-09 ? 1RRU 0 
2 2009-02-24 ?          ? 1RRU 1 
3 2011-07-13 ?          ? 1RRU 1 
# 
loop_
_database_PDB_rev_record.rev_num 
_database_PDB_rev_record.type 
_database_PDB_rev_record.details 
2 VERSN ? 
3 VERSN ? 
# 
loop_
_pdbx_database_related.db_name 
_pdbx_database_related.db_id 
_pdbx_database_related.details 
_pdbx_database_related.content_type 
PDB 1PUP 'Peptide nucleic acid duplex hexamer at 1.7 A resolution'                             unspecified 
PDB 1QPY 'Crystal Structure Of a Backbone Modified Pna Hexamer'                                unspecified 
PDB 1HZS 'Crystal structure of Peptide nucleic acid containing a bicyclic analogue of Thymine' unspecified 
# 
_pdbx_database_status.status_code    REL 
_pdbx_database_status.entry_id       1RRU 
_pdbx_database_status.deposit_site   RCSB 
_pdbx_database_status.process_site   RCSB 
_pdbx_database_status.SG_entry       . 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Rasmussen, H.' 1 
'Liljefors, T.' 2 
'Petersson, B.' 3 
'Nielsen, P.E.' 4 
'Kastrup, J.S.' 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 'The Influence of a Chiral Amino Acid on the Helical Handedness of PNA in Solution and in Crystals' J.Biomol.Struct.Dyn. 
21 495  502  2004 JBSDD6 US 0739-1102 0646 ? 14692794 ?                                                               
1       'Crystal structure of a peptide nucleic acid (PNA) duplex at 1.7 A resolution' Nat.Struct.Biol.     4  98   101  1997 
NSBIEW US 1072-8368 2024 ? ?        ?                                                               
2       
'Peptide nucleic acids (PNA) derived from N-(N-methylaminoethyl) glycine. Synthesis, hybridization and structural properties' 
'New J.Chem.'        23 833  840  1999 ?      FR 1144-0546 ?    ? ?        10.1039/a902091h 
3       '1,8-Naphthyridin-2(1H)-ones. Novel bi- and tricyclic analogues of Thymine in Peptide nucleic acids (PNA)' Eur.J.Org.Chem. 
?  1781 1790 2001 ?      GE 1434-193X ?    ? ?        '10.1002/1099-0690(200105)2001:9<1781::AID-EJOC1781>3.0.CO;2-K' 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
primary 'Rasmussen, H.'   1  
primary 'Liljefors, T.'   2  
primary 'Petersson, B.'   3  
primary 'Nielsen, P.E.'   4  
primary 'Kastrup, J.S.'   5  
1       'Rasmussen, H.'   6  
1       'Kastrup, J.S.'   7  
1       'Nielsen, J.N.'   8  
1       'Nielsen, J.M.'   9  
1       'Nielsen, P.E.'   10 
2       'Haiima, G.'      11 
2       'Rasmussen, H.'   12 
2       'Schmidt, G.'     13 
2       'Jensen, D.K.'    14 
2       'Kastrup, J.S.'   15 
2       'Stafshede, P.W.' 16 
2       'Norden, B.'      17 
2       'Buckhardt, O.'   18 
2       'Nielsen, P.E.'   19 
3       'Eldrup, A.B.'    20 
3       'Nielsen, B.B.'   21 
3       'Haiima, G.'      22 
3       'Rasmussen, H.'   23 
3       'Kastrup, J.S.'   24 
3       'Christensen, C.' 25 
3       'Nielsen, P.E.'   26 
# 
_cell.entry_id           1RRU 
_cell.length_a           36.75 
_cell.length_b           44.07 
_cell.length_c           31.22 
_cell.angle_alpha        90.00 
_cell.angle_beta         91.51 
_cell.angle_gamma        90.00 
_cell.pdbx_unique_axis   ? 
_cell.Z_PDB              8 
# 
_symmetry.entry_id                         1RRU 
_symmetry.space_group_name_H-M             'C 1 2 1' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.Int_Tables_number                ? 
_symmetry.cell_setting                     ? 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.details 
1 polymer syn 'Peptide Nucleic Acid, (H-P(*CPN*GPN*TPN*APN*CPN*GPN)-LYS-NH2)' 1777.803 2  ? 
2 water   nat water                                                           18.015   28 ? 
# 
loop_
_entity_name_com.entity_id 
_entity_name_com.name 
1 PNA 
2 ?   
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           polydeoxyribonucleotide 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   yes 
_entity_poly.pdbx_seq_one_letter_code       '(CPN)(GPN)(TPN)(APN)(CPN)(GPN)K(NH2)' 
_entity_poly.pdbx_seq_one_letter_code_can   XXXXXXKX 
_entity_poly.pdbx_strand_id                 A,B 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1 CPN n 
1 2 GPN n 
1 3 TPN n 
1 4 APN n 
1 5 CPN n 
1 6 GPN n 
1 7 LYS n 
1 8 NH2 n 
# 
_struct_ref.id                  1 
_struct_ref.entity_id           1 
_struct_ref.db_name             PDB 
_struct_ref.db_code             1RRU 
_struct_ref.pdbx_db_accession   1RRU 
_struct_ref.biol_id             . 
# 
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.db_align_end 
_struct_ref_seq.pdbx_auth_seq_align_beg 
_struct_ref_seq.pdbx_auth_seq_align_end 
1 1 1RRU A 1 ? 8 ? 1RRU 1 8  1 8  
2 1 1RRU B 1 ? 8 ? 1RRU 9 16 9 16 
# 
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 
CPN PEPTIDE-LIKE        . 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-CYTOSINE ? 'C10 H16 N5 O4 1' 270.267 
GPN PEPTIDE-LIKE        . 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE  ? 'C11 H16 N7 O4 1' 310.292 
TPN PEPTIDE-LIKE        . 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-THYMINE  ? 'C11 H17 N4 O5 1' 285.279 
APN PEPTIDE-LIKE        . 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE  ? 'C11 H16 N7 O3 1' 294.293 
LYS 'L-peptide linking' y LYSINE                                         ? 'C6 H15 N2 O2 1'  147.197 
NH2 NON-POLYMER         . 'AMINO GROUP'                                  ? 'H2 N'            16.022  
HOH NON-POLYMER         . WATER                                          ? 'H2 O'            18.015  
# 
_exptl.entry_id          1RRU 
_exptl.method            'X-RAY DIFFRACTION' 
_exptl.crystals_number   1 
# 
_exptl_crystal.id                    1 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_percent_sol   66.62 
_exptl_crystal.description           ? 
_exptl_crystal.density_Matthews      3.68 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.temp            293 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pdbx_details    'glycerol, magnesium formate, VAPOR DIFFUSION, HANGING DROP, temperature 293K' 
_exptl_crystal_grow.pdbx_pH_range   . 
# 
loop_
_exptl_crystal_grow_comp.crystal_id 
_exptl_crystal_grow_comp.id 
_exptl_crystal_grow_comp.sol_id 
_exptl_crystal_grow_comp.name 
_exptl_crystal_grow_comp.volume 
_exptl_crystal_grow_comp.conc 
_exptl_crystal_grow_comp.details 
1 1 1 glycerol            ? ? ? 
1 2 1 'magnesium formate' ? ? ? 
1 3 1 H2O                 ? ? ? 
1 4 2 'magnesium formate' ? ? ? 
1 5 2 H2O                 ? ? ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           293 
_diffrn.ambient_temp_details   ? 
_diffrn.crystal_id             1 
# 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.detector               'IMAGE PLATE' 
_diffrn_detector.type                   'RIGAKU RAXIS II' 
_diffrn_detector.pdbx_collection_date   1997-04-16 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.5418 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      'ROTATING ANODE' 
_diffrn_source.type                        'RIGAKU RU200' 
_diffrn_source.pdbx_synchrotron_site       ? 
_diffrn_source.pdbx_synchrotron_beamline   ? 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_wavelength_list        1.5418 
# 
_reflns.entry_id                     1RRU 
_reflns.observed_criterion_sigma_F   0.00 
_reflns.observed_criterion_sigma_I   0.00 
_reflns.d_resolution_high            2.35 
_reflns.d_resolution_low             25.0 
_reflns.number_all                   2069 
_reflns.number_obs                   2069 
_reflns.percent_possible_obs         98.8 
_reflns.pdbx_Rmerge_I_obs            0.06 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        15.9 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              3.4 
_reflns.R_free_details               ? 
_reflns.pdbx_ordinal                 1 
_reflns.pdbx_diffrn_id               1 
# 
_reflns_shell.d_res_high             2.35 
_reflns_shell.d_res_low              2.39 
_reflns_shell.percent_possible_all   95.8 
_reflns_shell.Rmerge_I_obs           0.316 
_reflns_shell.pdbx_Rsym_value        ? 
_reflns_shell.meanI_over_sigI_obs    3.2 
_reflns_shell.pdbx_redundancy        3.0 
_reflns_shell.percent_possible_obs   ? 
_reflns_shell.number_unique_all      92 
_reflns_shell.pdbx_ordinal           1 
_reflns_shell.pdbx_diffrn_id         1 
# 
_computing.entry_id                           1RRU 
_computing.pdbx_data_reduction_ii             DENZO 
_computing.pdbx_data_reduction_ds             'CCP4 (TRUNCATE)' 
_computing.data_collection                    ? 
_computing.structure_solution                 AMORE 
_computing.structure_refinement               'X-PLOR 3.851' 
_computing.pdbx_structure_refinement_method   ? 
# 
_refine.entry_id                               1RRU 
_refine.ls_d_res_high                          2.35 
_refine.ls_d_res_low                           6.00 
_refine.pdbx_ls_sigma_F                        3.0 
_refine.pdbx_ls_sigma_I                        ? 
_refine.ls_number_reflns_all                   1955 
_refine.ls_number_reflns_obs                   1453 
_refine.ls_number_reflns_R_free                129 
_refine.ls_percent_reflns_obs                  74 
_refine.ls_R_factor_all                        ? 
_refine.ls_R_factor_obs                        ? 
_refine.ls_R_factor_R_work                     0.219 
_refine.ls_R_factor_R_free                     0.292 
_refine.ls_redundancy_reflns_obs               ? 
_refine.pdbx_data_cutoff_high_absF             ? 
_refine.pdbx_data_cutoff_low_absF              ? 
_refine.ls_number_parameters                   ? 
_refine.ls_number_restraints                   ? 
_refine.ls_percent_reflns_R_free               ? 
_refine.ls_R_factor_R_free_error               ? 
_refine.ls_R_factor_R_free_error_details       ? 
_refine.pdbx_method_to_determine_struct        'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                    'PDB entry 1PUP' 
_refine.pdbx_ls_cross_valid_method             troughout 
_refine.pdbx_R_Free_selection_details          random 
_refine.pdbx_stereochem_target_val_spec_case   ? 
_refine.pdbx_stereochemistry_target_values     'Engh & Huber' 
_refine.solvent_model_details                  ? 
_refine.solvent_model_param_bsol               ? 
_refine.solvent_model_param_ksol               ? 
_refine.occupancy_max                          ? 
_refine.occupancy_min                          ? 
_refine.pdbx_isotropic_thermal_model           isotropic 
_refine.B_iso_mean                             38.4 
_refine.aniso_B[1][1]                          ? 
_refine.aniso_B[1][2]                          ? 
_refine.aniso_B[1][3]                          ? 
_refine.aniso_B[2][2]                          ? 
_refine.aniso_B[2][3]                          ? 
_refine.aniso_B[3][3]                          ? 
_refine.details                                'Own parameter and topology file created' 
_refine.correlation_coeff_Fo_to_Fc             ? 
_refine.correlation_coeff_Fo_to_Fc_free        ? 
_refine.pdbx_solvent_vdw_probe_radii           ? 
_refine.pdbx_solvent_ion_probe_radii           ? 
_refine.pdbx_solvent_shrinkage_radii           ? 
_refine.overall_SU_R_Cruickshank_DPI           ? 
_refine.overall_SU_R_free                      ? 
_refine.overall_SU_B                           ? 
_refine.overall_SU_ML                          ? 
_refine.pdbx_overall_ESU_R                     ? 
_refine.pdbx_overall_ESU_R_Free                ? 
_refine.pdbx_data_cutoff_high_rms_absF         ? 
_refine.pdbx_refine_id                         'X-RAY DIFFRACTION' 
_refine.pdbx_diffrn_id                         1 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        254 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         0 
_refine_hist.number_atoms_solvent             28 
_refine_hist.number_atoms_total               282 
_refine_hist.d_res_high                       2.35 
_refine_hist.d_res_low                        6.00 
# 
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 
x_bond_d    0.021 ? ? ? 'X-RAY DIFFRACTION' 
x_angle_deg 3.5   ? ? ? 'X-RAY DIFFRACTION' 
# 
_refine_ls_shell.pdbx_total_number_of_bins_used   ? 
_refine_ls_shell.d_res_high                       2.35 
_refine_ls_shell.d_res_low                        2.45 
_refine_ls_shell.number_reflns_R_work             ? 
_refine_ls_shell.R_factor_R_work                  0.321 
_refine_ls_shell.percent_reflns_obs               ? 
_refine_ls_shell.R_factor_R_free                  0.366 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             15 
_refine_ls_shell.redundancy_reflns_obs            ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  1RRU 
_struct.title                     
'The influence of a chiral amino acid on the helical handedness of PNA in solution and in crystals' 
_struct.pdbx_descriptor           "5'-D(*(CPN)*(GPN)*(TPN)*(APN)*(CPN)*(GPN)*(LYS)*(NH2))-3'" 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        1RRU 
_struct_keywords.pdbx_keywords   'PEPTIDE NUCLEIC ACID' 
_struct_keywords.text            'PNA, peptide nucleic acid, L-Lysine, helical handedness, P-form, molecular mechanics' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 1 ? 
C N N 2 ? 
D N N 2 ? 
# 
loop_
_struct_biol.id 
_struct_biol.details 
_struct_biol.pdbx_parent_biol_id 
1 
;This entry contains the crystallographic asymmetric unit which consist of two chains.  
See remark 350 for information on generating the biological molecules. Chain A builds a right-handed PNA double helix and chain B builds a left-handed double helix.  
Biomolecule: 1  
Apply the following to chain: A  
Biomt1 1  1 0 0  0  
Biomt2 1  0 1 0  0  
Biomt3 1  0 0 1  0  
  
Biomt1 2 -1 0 0   0  
Biomt2 2  0 1 0   0 
Biomt3 2  0 0 -1  0 
  
Biomolecule: 2  
Apply the following to chain: B  
Biomt1 3  1 0 0  0  
Biomt2 3  0 1 0  0  
Biomt3 3  0 0 1  0  
  
Biomt1 4 -1 0 0   36.75  
Biomt2 4  0 1 0    0  
Biomt3 4  0 0 -1  31.22
;
? 
2 ? ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_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 
covale1  covale ? A CPN 1 "C'" ? ? ? 1_555 A GPN 2 "N1'" ? ? A CPN 1  A GPN 2  1_555 ? ? ? ? ? ? ?            1.322 ? 
covale2  covale ? A GPN 2 "C'" ? ? ? 1_555 A TPN 3 "N1'" ? ? A GPN 2  A TPN 3  1_555 ? ? ? ? ? ? ?            1.358 ? 
covale3  covale ? A TPN 3 "C'" A ? ? 1_555 A APN 4 "N1'" B ? A TPN 3  A APN 4  1_555 ? ? ? ? ? ? ?            0.811 ? 
covale4  covale ? A TPN 3 "C'" B ? ? 1_555 A APN 4 "N1'" A ? A TPN 3  A APN 4  1_555 ? ? ? ? ? ? ?            1.225 ? 
covale5  covale ? A APN 4 "C'" ? ? ? 1_555 A CPN 5 "N1'" ? ? A APN 4  A CPN 5  1_555 ? ? ? ? ? ? ?            1.298 ? 
covale6  covale ? A CPN 5 "C'" ? ? ? 1_555 A GPN 6 "N1'" ? ? A CPN 5  A GPN 6  1_555 ? ? ? ? ? ? ?            1.320 ? 
covale7  covale ? A GPN 6 "C'" ? ? ? 1_555 A LYS 7 N     ? ? A GPN 6  A LYS 7  1_555 ? ? ? ? ? ? ?            1.351 ? 
covale8  covale ? A LYS 7 C    ? ? ? 1_555 A NH2 8 N     ? ? A LYS 7  A NH2 8  1_555 ? ? ? ? ? ? ?            1.346 ? 
covale9  covale ? B CPN 1 "C'" ? ? ? 1_555 B GPN 2 "N1'" ? ? B CPN 9  B GPN 10 1_555 ? ? ? ? ? ? ?            1.337 ? 
covale10 covale ? B GPN 2 "C'" ? ? ? 1_555 B TPN 3 "N1'" ? ? B GPN 10 B TPN 11 1_555 ? ? ? ? ? ? ?            1.338 ? 
covale11 covale ? B TPN 3 "C'" A ? ? 1_555 B APN 4 "N1'" B ? B TPN 11 B APN 12 1_555 ? ? ? ? ? ? ?            0.740 ? 
covale12 covale ? B TPN 3 "C'" B ? ? 1_555 B APN 4 "N1'" A ? B TPN 11 B APN 12 1_555 ? ? ? ? ? ? ?            1.314 ? 
covale13 covale ? B APN 4 "C'" ? ? ? 1_555 B CPN 5 "N1'" ? ? B APN 12 B CPN 13 1_555 ? ? ? ? ? ? ?            1.320 ? 
covale14 covale ? B CPN 5 "C'" ? ? ? 1_555 B GPN 6 "N1'" ? ? B CPN 13 B GPN 14 1_555 ? ? ? ? ? ? ?            1.317 ? 
covale15 covale ? B GPN 6 "C'" ? ? ? 1_555 B LYS 7 N     ? ? B GPN 14 B LYS 15 1_555 ? ? ? ? ? ? ?            1.397 ? 
covale16 covale ? B LYS 7 C    ? ? ? 1_555 B NH2 8 N     ? ? B LYS 15 B NH2 16 1_555 ? ? ? ? ? ? ?            1.312 ? 
covale17 covale ? A TPN 3 "C'" A ? ? 1_555 A APN 4 "N1'" A ? A TPN 3  A APN 4  1_555 ? ? ? ? ? ? ?            1.372 ? 
covale18 covale ? A TPN 3 "C'" B ? ? 1_555 A APN 4 "N1'" B ? A TPN 3  A APN 4  1_555 ? ? ? ? ? ? ?            1.363 ? 
covale19 covale ? B TPN 3 "C'" B ? ? 1_555 B APN 4 "N1'" B ? B TPN 11 B APN 12 1_555 ? ? ? ? ? ? ?            1.359 ? 
covale20 covale ? B TPN 3 "C'" A ? ? 1_555 B APN 4 "N1'" A ? B TPN 11 B APN 12 1_555 ? ? ? ? ? ? ?            1.365 ? 
hydrog1  hydrog ? A CPN 1 N3   ? ? ? 1_555 A GPN 6 N1    ? ? A CPN 1  A GPN 6  2_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog2  hydrog ? A CPN 1 N4   ? ? ? 1_555 A GPN 6 O6    ? ? A CPN 1  A GPN 6  2_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog3  hydrog ? A CPN 1 O2   ? ? ? 1_555 A GPN 6 N2    ? ? A CPN 1  A GPN 6  2_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog4  hydrog ? A GPN 2 N1   ? ? ? 1_555 A CPN 5 N3    ? ? A GPN 2  A CPN 5  2_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog5  hydrog ? A GPN 2 N2   ? ? ? 1_555 A CPN 5 O2    ? ? A GPN 2  A CPN 5  2_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog6  hydrog ? A GPN 2 O6   ? ? ? 1_555 A CPN 5 N4    ? ? A GPN 2  A CPN 5  2_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog7  hydrog ? A TPN 3 N3   ? ? ? 1_555 A APN 4 N1    ? ? A TPN 3  A APN 4  2_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog8  hydrog ? A TPN 3 O4   ? ? ? 1_555 A APN 4 N6    ? ? A TPN 3  A APN 4  2_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog9  hydrog ? A APN 4 N1   ? ? ? 1_555 A TPN 3 N3    ? ? A APN 4  A TPN 3  2_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog10 hydrog ? A APN 4 N6   ? ? ? 1_555 A TPN 3 O4    ? ? A APN 4  A TPN 3  2_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog11 hydrog ? A CPN 5 N3   ? ? ? 1_555 A GPN 2 N1    ? ? A CPN 5  A GPN 2  2_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog12 hydrog ? A CPN 5 N4   ? ? ? 1_555 A GPN 2 O6    ? ? A CPN 5  A GPN 2  2_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog13 hydrog ? A CPN 5 O2   ? ? ? 1_555 A GPN 2 N2    ? ? A CPN 5  A GPN 2  2_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog14 hydrog ? A GPN 6 N1   ? ? ? 1_555 A CPN 1 N3    ? ? A GPN 6  A CPN 1  2_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog15 hydrog ? A GPN 6 N2   ? ? ? 1_555 A CPN 1 O2    ? ? A GPN 6  A CPN 1  2_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog16 hydrog ? A GPN 6 O6   ? ? ? 1_555 A CPN 1 N4    ? ? A GPN 6  A CPN 1  2_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
covale ?                                                                                                             ? 
hydrog 'For hydrogen bonding between nucleic acid bases, donor to acceptor distance of 2.2 -3.5 Angstroms was used.' ? 
# 
loop_
_struct_site.id 
_struct_site.details 
_struct_site.pdbx_evidence_code 
AC1 'BINDING SITE FOR RESIDUE NH2 A 8'  SOFTWARE 
AC2 'BINDING SITE FOR RESIDUE NH2 B 16' SOFTWARE 
# 
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 1 LYS A 7 ? LYS A 7  . . 1_555 ? 
2 AC2 2 GPN B 6 ? GPN B 14 . . 2_656 ? 
3 AC2 2 LYS B 7 ? LYS B 15 . . 2_656 ? 
# 
_database_PDB_matrix.entry_id          1RRU 
_database_PDB_matrix.origx[1][1]       1.000000 
_database_PDB_matrix.origx[1][2]       0.000000 
_database_PDB_matrix.origx[1][3]       0.000000 
_database_PDB_matrix.origx[2][1]       0.000000 
_database_PDB_matrix.origx[2][2]       1.000000 
_database_PDB_matrix.origx[2][3]       0.000000 
_database_PDB_matrix.origx[3][1]       0.000000 
_database_PDB_matrix.origx[3][2]       0.000000 
_database_PDB_matrix.origx[3][3]       1.000000 
_database_PDB_matrix.origx_vector[1]   0.00000 
_database_PDB_matrix.origx_vector[2]   0.00000 
_database_PDB_matrix.origx_vector[3]   0.00000 
# 
_atom_sites.entry_id                    1RRU 
_atom_sites.Cartn_transform_axes        ? 
_atom_sites.fract_transf_matrix[1][1]   0.027211 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000717 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.022691 
_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]   0.032042 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
# 
loop_
_atom_type.symbol 
C 
O 
N 
# 
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.Cartn_x_esd 
_atom_site.Cartn_y_esd 
_atom_site.Cartn_z_esd 
_atom_site.occupancy_esd 
_atom_site.B_iso_or_equiv_esd 
_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   C "C8'" . CPN A 1 1 ? -12.534 5.434  -4.955 1.00 37.90 ? ? ? ? ? ? 1  CPN A "C8'" 1 
ATOM   2   C "C7'" . CPN A 1 1 ? -12.678 5.082  -3.511 1.00 44.98 ? ? ? ? ? ? 1  CPN A "C7'" 1 
ATOM   3   O "O7'" . CPN A 1 1 ? -11.683 5.062  -2.804 1.00 52.10 ? ? ? ? ? ? 1  CPN A "O7'" 1 
ATOM   4   C "C5'" . CPN A 1 1 ? -13.783 4.591  -1.508 1.00 56.45 ? ? ? ? ? ? 1  CPN A "C5'" 1 
ATOM   5   C "C'"  . CPN A 1 1 ? -13.868 3.127  -1.215 1.00 61.08 ? ? ? ? ? ? 1  CPN A "C'"  1 
ATOM   6   O "O1'" . CPN A 1 1 ? -14.273 2.723  -0.114 1.00 68.44 ? ? ? ? ? ? 1  CPN A "O1'" 1 
ATOM   7   N "N4'" . CPN A 1 1 ? -13.822 4.848  -2.929 1.00 52.49 ? ? ? ? ? ? 1  CPN A "N4'" 1 
ATOM   8   C "C3'" . CPN A 1 1 ? -15.189 4.994  -3.519 1.00 60.36 ? ? ? ? ? ? 1  CPN A "C3'" 1 
ATOM   9   C "C2'" . CPN A 1 1 ? -15.593 3.982  -4.672 1.00 62.90 ? ? ? ? ? ? 1  CPN A "C2'" 1 
ATOM   10  N "N1'" . CPN A 1 1 ? -15.876 4.588  -6.005 1.00 61.47 ? ? ? ? ? ? 1  CPN A "N1'" 1 
ATOM   11  N N1    . CPN A 1 1 ? -11.091 5.555  -5.312 1.00 31.50 ? ? ? ? ? ? 1  CPN A N1    1 
ATOM   12  C C2    . CPN A 1 1 ? -10.493 4.362  -5.637 1.00 26.59 ? ? ? ? ? ? 1  CPN A C2    1 
ATOM   13  N N3    . CPN A 1 1 ? -9.189  4.386  -5.997 1.00 18.69 ? ? ? ? ? ? 1  CPN A N3    1 
ATOM   14  C C4    . CPN A 1 1 ? -8.520  5.560  -6.018 1.00 22.35 ? ? ? ? ? ? 1  CPN A C4    1 
ATOM   15  C C5    . CPN A 1 1 ? -9.109  6.786  -5.696 1.00 20.51 ? ? ? ? ? ? 1  CPN A C5    1 
ATOM   16  C C6    . CPN A 1 1 ? -10.397 6.726  -5.344 1.00 26.94 ? ? ? ? ? ? 1  CPN A C6    1 
ATOM   17  O O2    . CPN A 1 1 ? -11.185 3.341  -5.600 1.00 23.82 ? ? ? ? ? ? 1  CPN A O2    1 
ATOM   18  N N4    . CPN A 1 1 ? -7.227  5.604  -6.329 1.00 22.35 ? ? ? ? ? ? 1  CPN A N4    1 
ATOM   19  C "C8'" . GPN A 1 2 ? -10.111 1.801  -2.509 1.00 31.01 ? ? ? ? ? ? 2  GPN A "C8'" 1 
ATOM   20  C "C7'" . GPN A 1 2 ? -10.413 1.563  -1.058 1.00 39.76 ? ? ? ? ? ? 2  GPN A "C7'" 1 
ATOM   21  O "O7'" . GPN A 1 2 ? -9.716  1.958  -0.149 1.00 42.97 ? ? ? ? ? ? 2  GPN A "O7'" 1 
ATOM   22  C "C5'" . GPN A 1 2 ? -11.593 0.339  0.630  1.00 51.22 ? ? ? ? ? ? 2  GPN A "C5'" 1 
ATOM   23  C "C'"  . GPN A 1 2 ? -10.936 -1.046 0.948  1.00 54.09 ? ? ? ? ? ? 2  GPN A "C'"  1 
ATOM   24  O "O1'" . GPN A 1 2 ? -10.886 -1.429 2.135  1.00 55.96 ? ? ? ? ? ? 2  GPN A "O1'" 1 
ATOM   25  N "N4'" . GPN A 1 2 ? -11.412 0.804  -0.746 1.00 46.64 ? ? ? ? ? ? 2  GPN A "N4'" 1 
ATOM   26  C "C3'" . GPN A 1 2 ? -12.253 0.186  -1.766 1.00 53.41 ? ? ? ? ? ? 2  GPN A "C3'" 1 
ATOM   27  C "C2'" . GPN A 1 2 ? -13.626 0.884  -1.928 1.00 60.07 ? ? ? ? ? ? 2  GPN A "C2'" 1 
ATOM   28  N "N1'" . GPN A 1 2 ? -13.539 2.307  -2.198 1.00 58.66 ? ? ? ? ? ? 2  GPN A "N1'" 1 
ATOM   29  N N9    . GPN A 1 2 ? -8.825  2.493  -2.710 1.00 31.29 ? ? ? ? ? ? 2  GPN A N9    1 
ATOM   30  C C8    . GPN A 1 2 ? -8.567  3.829  -2.584 1.00 33.99 ? ? ? ? ? ? 2  GPN A C8    1 
ATOM   31  N N7    . GPN A 1 2 ? -7.328  4.179  -2.841 1.00 37.09 ? ? ? ? ? ? 2  GPN A N7    1 
ATOM   32  C C5    . GPN A 1 2 ? -6.715  3.001  -3.159 1.00 29.70 ? ? ? ? ? ? 2  GPN A C5    1 
ATOM   33  C C6    . GPN A 1 2 ? -5.417  2.818  -3.490 1.00 31.58 ? ? ? ? ? ? 2  GPN A C6    1 
ATOM   34  O O6    . GPN A 1 2 ? -4.560  3.668  -3.522 1.00 29.41 ? ? ? ? ? ? 2  GPN A O6    1 
ATOM   35  N N1    . GPN A 1 2 ? -5.143  1.512  -3.736 1.00 33.22 ? ? ? ? ? ? 2  GPN A N1    1 
ATOM   36  C C2    . GPN A 1 2 ? -6.056  0.481  -3.656 1.00 34.35 ? ? ? ? ? ? 2  GPN A C2    1 
ATOM   37  N N2    . GPN A 1 2 ? -5.608  -0.750 -3.967 1.00 37.31 ? ? ? ? ? ? 2  GPN A N2    1 
ATOM   38  N N3    . GPN A 1 2 ? -7.339  0.642  -3.320 1.00 32.44 ? ? ? ? ? ? 2  GPN A N3    1 
ATOM   39  C C4    . GPN A 1 2 ? -7.590  1.952  -3.089 1.00 34.48 ? ? ? ? ? ? 2  GPN A C4    1 
ATOM   40  C "C8'" . TPN A 1 3 ? -6.384  -1.663 -0.201 1.00 33.63 ? ? ? ? ? ? 3  TPN A "C8'" 1 
ATOM   41  C "C7'" . TPN A 1 3 ? -6.733  -1.983 1.201  1.00 37.10 ? ? ? ? ? ? 3  TPN A "C7'" 1 
ATOM   42  O "O7'" . TPN A 1 3 ? -6.050  -1.513 2.090  1.00 43.10 ? ? ? ? ? ? 3  TPN A "O7'" 1 
ATOM   43  C "C5'" A TPN A 1 3 ? -7.859  -3.572 2.652  0.50 35.87 ? ? ? ? ? ? 3  TPN A "C5'" 1 
ATOM   44  C "C5'" B TPN A 1 3 ? -8.078  -3.339 2.745  0.50 43.24 ? ? ? ? ? ? 3  TPN A "C5'" 1 
ATOM   45  C "C'"  A TPN A 1 3 ? -6.737  -4.667 2.735  0.50 32.31 ? ? ? ? ? ? 3  TPN A "C'"  1 
ATOM   46  C "C'"  B TPN A 1 3 ? -6.999  -4.067 3.631  0.50 47.24 ? ? ? ? ? ? 3  TPN A "C'"  1 
ATOM   47  O "O1'" A TPN A 1 3 ? -6.264  -5.185 1.694  0.50 27.48 ? ? ? ? ? ? 3  TPN A "O1'" 1 
ATOM   48  O "O1'" B TPN A 1 3 ? -6.814  -3.670 4.799  0.50 50.39 ? ? ? ? ? ? 3  TPN A "O1'" 1 
ATOM   49  N "N4'" . TPN A 1 3 ? -7.711  -2.847 1.403  1.00 39.47 ? ? ? ? ? ? 3  TPN A "N4'" 1 
ATOM   50  C "C3'" . TPN A 1 3 ? -8.474  -3.404 0.283  1.00 41.92 ? ? ? ? ? ? 3  TPN A "C3'" 1 
ATOM   51  C "C2'" . TPN A 1 3 ? -9.957  -3.153 0.375  1.00 44.15 ? ? ? ? ? ? 3  TPN A "C2'" 1 
ATOM   52  N "N1'" . TPN A 1 3 ? -10.405 -1.838 -0.019 1.00 47.28 ? ? ? ? ? ? 3  TPN A "N1'" 1 
ATOM   53  N N1    . TPN A 1 3 ? -5.403  -0.572 -0.325 1.00 32.25 ? ? ? ? ? ? 3  TPN A N1    1 
ATOM   54  C C6    . TPN A 1 3 ? -5.681  0.740  -0.058 1.00 33.32 ? ? ? ? ? ? 3  TPN A C6    1 
ATOM   55  C C2    . TPN A 1 3 ? -4.145  -0.938 -0.824 1.00 33.67 ? ? ? ? ? ? 3  TPN A C2    1 
ATOM   56  O O2    . TPN A 1 3 ? -3.852  -2.103 -1.086 1.00 41.32 ? ? ? ? ? ? 3  TPN A O2    1 
ATOM   57  N N3    . TPN A 1 3 ? -3.222  0.069  -1.026 1.00 32.36 ? ? ? ? ? ? 3  TPN A N3    1 
ATOM   58  C C4    . TPN A 1 3 ? -3.436  1.393  -0.774 1.00 32.45 ? ? ? ? ? ? 3  TPN A C4    1 
ATOM   59  O O4    . TPN A 1 3 ? -2.548  2.194  -0.948 1.00 32.49 ? ? ? ? ? ? 3  TPN A O4    1 
ATOM   60  C C5    . TPN A 1 3 ? -4.743  1.690  -0.269 1.00 33.60 ? ? ? ? ? ? 3  TPN A C5    1 
ATOM   61  C C5M   . TPN A 1 3 ? -5.095  3.115  0.034  1.00 36.11 ? ? ? ? ? ? 3  TPN A C5M   1 
ATOM   62  C "C8'" . APN A 1 4 ? -3.196  -3.059 2.788  1.00 32.58 ? ? ? ? ? ? 4  APN A "C8'" 1 
ATOM   63  C "C7'" . APN A 1 4 ? -3.090  -3.432 4.283  1.00 40.19 ? ? ? ? ? ? 4  APN A "C7'" 1 
ATOM   64  O "O7'" . APN A 1 4 ? -2.737  -2.541 5.087  1.00 45.52 ? ? ? ? ? ? 4  APN A "O7'" 1 
ATOM   65  C "C5'" . APN A 1 4 ? -3.305  -5.078 6.122  1.00 28.61 ? ? ? ? ? ? 4  APN A "C5'" 1 
ATOM   66  C "C'"  . APN A 1 4 ? -1.918  -5.610 6.451  1.00 21.28 ? ? ? ? ? ? 4  APN A "C'"  1 
ATOM   67  O "O1'" . APN A 1 4 ? -1.485  -5.638 7.589  1.00 26.57 ? ? ? ? ? ? 4  APN A "O1'" 1 
ATOM   68  N "N4'" . APN A 1 4 ? -3.400  -4.683 4.718  1.00 32.60 ? ? ? ? ? ? 4  APN A "N4'" 1 
ATOM   69  C "C3'" A APN A 1 4 ? -3.849  -5.753 3.834  0.50 29.27 ? ? ? ? ? ? 4  APN A "C3'" 1 
ATOM   70  C "C3'" B APN A 1 4 ? -3.837  -5.746 3.815  0.50 35.13 ? ? ? ? ? ? 4  APN A "C3'" 1 
ATOM   71  C "C2'" A APN A 1 4 ? -5.287  -6.042 4.262  0.50 26.29 ? ? ? ? ? ? 4  APN A "C2'" 1 
ATOM   72  C "C2'" B APN A 1 4 ? -5.335  -5.891 4.069  0.50 38.57 ? ? ? ? ? ? 4  APN A "C2'" 1 
ATOM   73  N "N1'" A APN A 1 4 ? -6.242  -4.964 3.980  0.50 31.66 ? ? ? ? ? ? 4  APN A "N1'" 1 
ATOM   74  N "N1'" B APN A 1 4 ? -6.221  -5.096 3.190  0.50 46.40 ? ? ? ? ? ? 4  APN A "N1'" 1 
ATOM   75  N N9    . APN A 1 4 ? -2.702  -1.744 2.632  1.00 26.25 ? ? ? ? ? ? 4  APN A N9    1 
ATOM   76  C C8    . APN A 1 4 ? -3.291  -0.522 2.862  1.00 22.89 ? ? ? ? ? ? 4  APN A C8    1 
ATOM   77  N N7    . APN A 1 4 ? -2.465  0.477  2.575  1.00 26.77 ? ? ? ? ? ? 4  APN A N7    1 
ATOM   78  C C5    . APN A 1 4 ? -1.325  -0.158 2.145  1.00 27.04 ? ? ? ? ? ? 4  APN A C5    1 
ATOM   79  C C6    . APN A 1 4 ? -0.100  0.291  1.693  1.00 33.55 ? ? ? ? ? ? 4  APN A C6    1 
ATOM   80  N N6    . APN A 1 4 ? 0.162   1.566  1.566  1.00 36.67 ? ? ? ? ? ? 4  APN A N6    1 
ATOM   81  N N1    . APN A 1 4 ? 0.849   -0.601 1.342  1.00 34.49 ? ? ? ? ? ? 4  APN A N1    1 
ATOM   82  C C2    . APN A 1 4 ? 0.532   -1.875 1.447  1.00 33.75 ? ? ? ? ? ? 4  APN A C2    1 
ATOM   83  N N3    . APN A 1 4 ? -0.616  -2.412 1.865  1.00 33.13 ? ? ? ? ? ? 4  APN A N3    1 
ATOM   84  C C4    . APN A 1 4 ? -1.490  -1.495 2.195  1.00 26.65 ? ? ? ? ? ? 4  APN A C4    1 
ATOM   85  C "C8'" . CPN A 1 5 ? 1.059   -2.930 4.995  1.00 40.55 ? ? ? ? ? ? 5  CPN A "C8'" 1 
ATOM   86  C "C7'" . CPN A 1 5 ? 1.601   -3.524 6.318  1.00 40.44 ? ? ? ? ? ? 5  CPN A "C7'" 1 
ATOM   87  O "O7'" . CPN A 1 5 ? 2.129   -2.807 7.161  1.00 42.16 ? ? ? ? ? ? 5  CPN A "O7'" 1 
ATOM   88  C "C5'" . CPN A 1 5 ? 1.746   -5.313 7.927  1.00 31.49 ? ? ? ? ? ? 5  CPN A "C5'" 1 
ATOM   89  C "C'"  . CPN A 1 5 ? 3.173   -5.682 8.193  1.00 29.67 ? ? ? ? ? ? 5  CPN A "C'"  1 
ATOM   90  O "O1'" . CPN A 1 5 ? 3.496   -6.038 9.323  1.00 32.98 ? ? ? ? ? ? 5  CPN A "O1'" 1 
ATOM   91  N "N4'" . CPN A 1 5 ? 1.538   -4.822 6.590  1.00 36.45 ? ? ? ? ? ? 5  CPN A "N4'" 1 
ATOM   92  C "C3'" . CPN A 1 5 ? 1.371   -5.839 5.544  1.00 34.20 ? ? ? ? ? ? 5  CPN A "C3'" 1 
ATOM   93  C "C2'" . CPN A 1 5 ? 0.125   -6.597 5.847  1.00 26.08 ? ? ? ? ? ? 5  CPN A "C2'" 1 
ATOM   94  N "N1'" . CPN A 1 5 ? -1.094  -5.912 5.494  1.00 19.59 ? ? ? ? ? ? 5  CPN A "N1'" 1 
ATOM   95  N N1    . CPN A 1 5 ? 1.338   -1.488 4.839  1.00 37.80 ? ? ? ? ? ? 5  CPN A N1    1 
ATOM   96  C C2    . CPN A 1 5 ? 2.590   -1.189 4.365  1.00 38.04 ? ? ? ? ? ? 5  CPN A C2    1 
ATOM   97  N N3    . CPN A 1 5 ? 2.930   0.099  4.218  1.00 38.66 ? ? ? ? ? ? 5  CPN A N3    1 
ATOM   98  C C4    . CPN A 1 5 ? 2.114   1.089  4.513  1.00 37.82 ? ? ? ? ? ? 5  CPN A C4    1 
ATOM   99  C C5    . CPN A 1 5 ? 0.813   0.797  5.014  1.00 36.31 ? ? ? ? ? ? 5  CPN A C5    1 
ATOM   100 C C6    . CPN A 1 5 ? 0.462   -0.497 5.156  1.00 38.93 ? ? ? ? ? ? 5  CPN A C6    1 
ATOM   101 O O2    . CPN A 1 5 ? 3.408   -2.070 4.113  1.00 37.64 ? ? ? ? ? ? 5  CPN A O2    1 
ATOM   102 N N4    . CPN A 1 5 ? 2.547   2.339  4.316  1.00 35.26 ? ? ? ? ? ? 5  CPN A N4    1 
ATOM   103 C "C8'" . GPN A 1 6 ? 5.483   -1.996 7.250  1.00 35.56 ? ? ? ? ? ? 6  GPN A "C8'" 1 
ATOM   104 C "C7'" . GPN A 1 6 ? 5.522   -2.592 8.668  1.00 38.94 ? ? ? ? ? ? 6  GPN A "C7'" 1 
ATOM   105 O "O7'" . GPN A 1 6 ? 5.072   -1.950 9.630  1.00 38.84 ? ? ? ? ? ? 6  GPN A "O7'" 1 
ATOM   106 C "C5'" . GPN A 1 6 ? 6.220   -4.350 10.176 0.50 37.68 ? ? ? ? ? ? 6  GPN A "C5'" 1 
ATOM   107 C "C'"  . GPN A 1 6 ? 7.539   -3.784 10.694 0.50 41.03 ? ? ? ? ? ? 6  GPN A "C'"  1 
ATOM   108 O "O1'" . GPN A 1 6 ? 8.461   -3.627 9.900  0.50 31.19 ? ? ? ? ? ? 6  GPN A "O1'" 1 
ATOM   109 N "N4'" . GPN A 1 6 ? 6.017   -3.822 8.851  1.00 35.82 ? ? ? ? ? ? 6  GPN A "N4'" 1 
ATOM   110 C "C3'" . GPN A 1 6 ? 6.417   -4.662 7.718  1.00 37.74 ? ? ? ? ? ? 6  GPN A "C3'" 1 
ATOM   111 C "C2'" . GPN A 1 6 ? 5.406   -5.904 7.385  1.00 33.41 ? ? ? ? ? ? 6  GPN A "C2'" 1 
ATOM   112 N "N1'" . GPN A 1 6 ? 4.015   -5.605 7.179  1.00 27.75 ? ? ? ? ? ? 6  GPN A "N1'" 1 
ATOM   113 N N9    . GPN A 1 6 ? 5.143   -0.581 7.297  1.00 32.79 ? ? ? ? ? ? 6  GPN A N9    1 
ATOM   114 C C8    . GPN A 1 6 ? 3.930   -0.039 7.543  1.00 37.08 ? ? ? ? ? ? 6  GPN A C8    1 
ATOM   115 N N7    . GPN A 1 6 ? 3.874   1.256  7.470  1.00 40.40 ? ? ? ? ? ? 6  GPN A N7    1 
ATOM   116 C C5    . GPN A 1 6 ? 5.205   1.575  7.150  1.00 39.14 ? ? ? ? ? ? 6  GPN A C5    1 
ATOM   117 C C6    . GPN A 1 6 ? 5.804   2.845  6.925  1.00 40.85 ? ? ? ? ? ? 6  GPN A C6    1 
ATOM   118 O O6    . GPN A 1 6 ? 5.218   3.929  6.994  1.00 44.52 ? ? ? ? ? ? 6  GPN A O6    1 
ATOM   119 N N1    . GPN A 1 6 ? 7.177   2.764  6.632  1.00 37.83 ? ? ? ? ? ? 6  GPN A N1    1 
ATOM   120 C C2    . GPN A 1 6 ? 7.860   1.588  6.571  1.00 36.00 ? ? ? ? ? ? 6  GPN A C2    1 
ATOM   121 N N2    . GPN A 1 6 ? 9.149   1.655  6.290  1.00 30.89 ? ? ? ? ? ? 6  GPN A N2    1 
ATOM   122 N N3    . GPN A 1 6 ? 7.278   0.411  6.779  1.00 34.21 ? ? ? ? ? ? 6  GPN A N3    1 
ATOM   123 C C4    . GPN A 1 6 ? 5.971   0.461  7.057  1.00 32.41 ? ? ? ? ? ? 6  GPN A C4    1 
ATOM   124 N N     . LYS A 1 7 ? 7.533   -3.332 11.967 1.00 50.29 ? ? ? ? ? ? 7  LYS A N     1 
ATOM   125 C CA    . LYS A 1 7 ? 8.648   -3.008 12.899 1.00 62.19 ? ? ? ? ? ? 7  LYS A CA    1 
ATOM   126 C C     . LYS A 1 7 ? 8.581   -1.769 13.794 1.00 65.82 ? ? ? ? ? ? 7  LYS A C     1 
ATOM   127 O O     . LYS A 1 7 ? 9.572   -1.046 14.039 1.00 70.13 ? ? ? ? ? ? 7  LYS A O     1 
ATOM   128 C CB    . LYS A 1 7 ? 10.016  -2.919 12.201 1.00 63.82 ? ? ? ? ? ? 7  LYS A CB    1 
ATOM   129 C CG    . LYS A 1 7 ? 10.601  -4.307 12.079 1.00 63.27 ? ? ? ? ? ? 7  LYS A CG    1 
ATOM   130 C CD    . LYS A 1 7 ? 11.659  -4.312 10.969 1.00 69.26 ? ? ? ? ? ? 7  LYS A CD    1 
ATOM   131 C CE    . LYS A 1 7 ? 12.168  -5.746 10.686 1.00 72.61 ? ? ? ? ? ? 7  LYS A CE    1 
ATOM   132 N NZ    . LYS A 1 7 ? 13.462  -5.776 10.007 1.00 70.68 ? ? ? ? ? ? 7  LYS A NZ    1 
ATOM   133 N N     . NH2 A 1 8 ? 7.369   -1.585 14.350 1.00 63.89 ? ? ? ? ? ? 8  NH2 A N     1 
ATOM   134 C "C8'" . CPN B 1 1 ? 6.104   1.524  10.548 1.00 45.76 ? ? ? ? ? ? 9  CPN B "C8'" 1 
ATOM   135 C "C7'" . CPN B 1 1 ? 5.648   1.938  11.916 1.00 54.29 ? ? ? ? ? ? 9  CPN B "C7'" 1 
ATOM   136 O "O7'" . CPN B 1 1 ? 6.370   1.921  12.912 1.00 55.76 ? ? ? ? ? ? 9  CPN B "O7'" 1 
ATOM   137 C "C5'" . CPN B 1 1 ? 3.778   2.627  13.232 1.00 61.77 ? ? ? ? ? ? 9  CPN B "C5'" 1 
ATOM   138 C "C'"  . CPN B 1 1 ? 3.794   4.104  13.537 1.00 62.81 ? ? ? ? ? ? 9  CPN B "C'"  1 
ATOM   139 O "O1'" . CPN B 1 1 ? 2.938   4.849  13.034 1.00 66.80 ? ? ? ? ? ? 9  CPN B "O1'" 1 
ATOM   140 N "N4'" . CPN B 1 1 ? 4.379   2.300  11.967 1.00 60.06 ? ? ? ? ? ? 9  CPN B "N4'" 1 
ATOM   141 C "C3'" . CPN B 1 1 ? 3.471   2.350  10.796 1.00 66.67 ? ? ? ? ? ? 9  CPN B "C3'" 1 
ATOM   142 C "C2'" . CPN B 1 1 ? 3.475   3.774  10.090 1.00 73.27 ? ? ? ? ? ? 9  CPN B "C2'" 1 
ATOM   143 N "N1'" . CPN B 1 1 ? 4.799   4.364  9.827  1.00 70.44 ? ? ? ? ? ? 9  CPN B "N1'" 1 
ATOM   144 N N1    . CPN B 1 1 ? 7.499   1.432  10.304 1.00 37.55 ? ? ? ? ? ? 9  CPN B N1    1 
ATOM   145 C C2    . CPN B 1 1 ? 8.149   2.538  9.786  1.00 36.57 ? ? ? ? ? ? 9  CPN B C2    1 
ATOM   146 N N3    . CPN B 1 1 ? 9.418   2.382  9.433  1.00 37.37 ? ? ? ? ? ? 9  CPN B N3    1 
ATOM   147 C C4    . CPN B 1 1 ? 10.025  1.199  9.578  1.00 40.26 ? ? ? ? ? ? 9  CPN B C4    1 
ATOM   148 C C5    . CPN B 1 1 ? 9.363   0.097  10.097 1.00 40.22 ? ? ? ? ? ? 9  CPN B C5    1 
ATOM   149 C C6    . CPN B 1 1 ? 8.094   0.278  10.446 1.00 40.10 ? ? ? ? ? ? 9  CPN B C6    1 
ATOM   150 O O2    . CPN B 1 1 ? 7.612   3.633  9.636  1.00 32.69 ? ? ? ? ? ? 9  CPN B O2    1 
ATOM   151 N N4    . CPN B 1 1 ? 11.312  0.986  9.276  1.00 46.42 ? ? ? ? ? ? 9  CPN B N4    1 
ATOM   152 C "C8'" . GPN B 1 2 ? 7.943   5.198  13.186 1.00 35.49 ? ? ? ? ? ? 10 GPN B "C8'" 1 
ATOM   153 C "C7'" . GPN B 1 2 ? 7.979   6.002  14.473 1.00 41.34 ? ? ? ? ? ? 10 GPN B "C7'" 1 
ATOM   154 O "O7'" . GPN B 1 2 ? 8.957   5.940  15.198 1.00 45.74 ? ? ? ? ? ? 10 GPN B "O7'" 1 
ATOM   155 C "C5'" . GPN B 1 2 ? 6.950   7.437  16.177 1.00 50.02 ? ? ? ? ? ? 10 GPN B "C5'" 1 
ATOM   156 C "C'"  . GPN B 1 2 ? 7.219   8.956  16.324 1.00 50.50 ? ? ? ? ? ? 10 GPN B "C'"  1 
ATOM   157 O "O1'" . GPN B 1 2 ? 6.904   9.569  17.372 1.00 49.28 ? ? ? ? ? ? 10 GPN B "O1'" 1 
ATOM   158 N "N4'" . GPN B 1 2 ? 6.984   6.763  14.877 1.00 45.77 ? ? ? ? ? ? 10 GPN B "N4'" 1 
ATOM   159 C "C3'" . GPN B 1 2 ? 5.759   6.932  14.142 1.00 53.84 ? ? ? ? ? ? 10 GPN B "C3'" 1 
ATOM   160 C "C2'" . GPN B 1 2 ? 4.730   5.944  14.793 1.00 61.13 ? ? ? ? ? ? 10 GPN B "C2'" 1 
ATOM   161 N "N1'" . GPN B 1 2 ? 4.767   4.538  14.344 1.00 61.86 ? ? ? ? ? ? 10 GPN B "N1'" 1 
ATOM   162 N N9    . GPN B 1 2 ? 9.297   4.711  12.871 1.00 31.28 ? ? ? ? ? ? 10 GPN B N9    1 
ATOM   163 C C8    . GPN B 1 2 ? 9.853   3.446  12.775 1.00 33.40 ? ? ? ? ? ? 10 GPN B C8    1 
ATOM   164 N N7    . GPN B 1 2 ? 11.162  3.420  12.451 1.00 31.59 ? ? ? ? ? ? 10 GPN B N7    1 
ATOM   165 C C5    . GPN B 1 2 ? 11.479  4.755  12.335 1.00 25.96 ? ? ? ? ? ? 10 GPN B C5    1 
ATOM   166 C C6    . GPN B 1 2 ? 12.681  5.329  12.020 1.00 28.82 ? ? ? ? ? ? 10 GPN B C6    1 
ATOM   167 O O6    . GPN B 1 2 ? 13.772  4.822  11.818 1.00 19.27 ? ? ? ? ? ? 10 GPN B O6    1 
ATOM   168 N N1    . GPN B 1 2 ? 12.557  6.691  12.001 1.00 32.91 ? ? ? ? ? ? 10 GPN B N1    1 
ATOM   169 C C2    . GPN B 1 2 ? 11.415  7.450  12.259 1.00 33.29 ? ? ? ? ? ? 10 GPN B C2    1 
ATOM   170 N N2    . GPN B 1 2 ? 11.484  8.793  12.156 1.00 33.35 ? ? ? ? ? ? 10 GPN B N2    1 
ATOM   171 N N3    . GPN B 1 2 ? 10.246  6.921  12.580 1.00 29.74 ? ? ? ? ? ? 10 GPN B N3    1 
ATOM   172 C C4    . GPN B 1 2 ? 10.375  5.558  12.587 1.00 33.90 ? ? ? ? ? ? 10 GPN B C4    1 
ATOM   173 C "C8'" . TPN B 1 3 ? 11.318  8.849  15.340 1.00 26.55 ? ? ? ? ? ? 11 TPN B "C8'" 1 
ATOM   174 C "C7'" . TPN B 1 3 ? 10.918  9.347  16.672 1.00 28.81 ? ? ? ? ? ? 11 TPN B "C7'" 1 
ATOM   175 O "O7'" . TPN B 1 3 ? 11.250  8.755  17.654 1.00 35.74 ? ? ? ? ? ? 11 TPN B "O7'" 1 
ATOM   176 C "C5'" A TPN B 1 3 ? 10.064  11.178 18.020 0.50 25.95 ? ? ? ? ? ? 11 TPN B "C5'" 1 
ATOM   177 C "C5'" B TPN B 1 3 ? 9.700   10.930 18.071 0.50 34.72 ? ? ? ? ? ? 11 TPN B "C5'" 1 
ATOM   178 C "C'"  A TPN B 1 3 ? 11.276  12.160 18.179 0.50 22.99 ? ? ? ? ? ? 11 TPN B "C'"  1 
ATOM   179 C "C'"  B TPN B 1 3 ? 10.711  11.493 19.094 0.50 41.19 ? ? ? ? ? ? 11 TPN B "C'"  1 
ATOM   180 O "O1'" A TPN B 1 3 ? 11.978  12.567 17.215 0.50 11.27 ? ? ? ? ? ? 11 TPN B "O1'" 1 
ATOM   181 O "O1'" B TPN B 1 3 ? 10.716  11.011 20.247 0.50 43.50 ? ? ? ? ? ? 11 TPN B "O1'" 1 
ATOM   182 N "N4'" . TPN B 1 3 ? 10.197  10.445 16.774 1.00 32.90 ? ? ? ? ? ? 11 TPN B "N4'" 1 
ATOM   183 C "C3'" . TPN B 1 3 ? 9.700   11.195 15.600 1.00 35.04 ? ? ? ? ? ? 11 TPN B "C3'" 1 
ATOM   184 C "C2'" . TPN B 1 3 ? 8.164   11.030 15.507 1.00 41.71 ? ? ? ? ? ? 11 TPN B "C2'" 1 
ATOM   185 N "N1'" . TPN B 1 3 ? 7.778   9.621  15.307 1.00 47.96 ? ? ? ? ? ? 11 TPN B "N1'" 1 
ATOM   186 N N1    . TPN B 1 3 ? 12.269  7.755  15.249 1.00 24.80 ? ? ? ? ? ? 11 TPN B N1    1 
ATOM   187 C C6    . TPN B 1 3 ? 11.970  6.468  15.581 1.00 25.21 ? ? ? ? ? ? 11 TPN B C6    1 
ATOM   188 C C2    . TPN B 1 3 ? 13.588  8.052  14.758 1.00 29.63 ? ? ? ? ? ? 11 TPN B C2    1 
ATOM   189 O O2    . TPN B 1 3 ? 14.024  9.145  14.432 1.00 34.19 ? ? ? ? ? ? 11 TPN B O2    1 
ATOM   190 N N3    . TPN B 1 3 ? 14.496  7.027  14.643 1.00 26.93 ? ? ? ? ? ? 11 TPN B N3    1 
ATOM   191 C C4    . TPN B 1 3 ? 14.228  5.748  14.973 1.00 19.97 ? ? ? ? ? ? 11 TPN B C4    1 
ATOM   192 O O4    . TPN B 1 3 ? 15.121  4.966  14.837 1.00 23.29 ? ? ? ? ? ? 11 TPN B O4    1 
ATOM   193 C C5    . TPN B 1 3 ? 12.900  5.511  15.451 1.00 22.33 ? ? ? ? ? ? 11 TPN B C5    1 
ATOM   194 C C5M   . TPN B 1 3 ? 12.466  4.177  15.823 1.00 23.35 ? ? ? ? ? ? 11 TPN B C5M   1 
ATOM   195 C "C8'" . APN B 1 4 ? 14.948  10.465 18.329 1.00 27.06 ? ? ? ? ? ? 12 APN B "C8'" 1 
ATOM   196 C "C7'" . APN B 1 4 ? 15.016  10.887 19.796 1.00 33.66 ? ? ? ? ? ? 12 APN B "C7'" 1 
ATOM   197 O "O7'" . APN B 1 4 ? 15.554  10.125 20.574 1.00 33.53 ? ? ? ? ? ? 12 APN B "O7'" 1 
ATOM   198 C "C5'" . APN B 1 4 ? 14.779  12.427 21.721 1.00 32.25 ? ? ? ? ? ? 12 APN B "C5'" 1 
ATOM   199 C "C'"  . APN B 1 4 ? 16.143  13.140 21.877 1.00 23.47 ? ? ? ? ? ? 12 APN B "C'"  1 
ATOM   200 O "O1'" . APN B 1 4 ? 16.442  13.550 22.967 1.00 28.29 ? ? ? ? ? ? 12 APN B "O1'" 1 
ATOM   201 N "N4'" . APN B 1 4 ? 14.542  12.041 20.304 1.00 32.74 ? ? ? ? ? ? 12 APN B "N4'" 1 
ATOM   202 C "C3'" A APN B 1 4 ? 13.947  13.088 19.478 0.50 28.84 ? ? ? ? ? ? 12 APN B "C3'" 1 
ATOM   203 C "C3'" B APN B 1 4 ? 13.915  13.063 19.461 0.50 33.65 ? ? ? ? ? ? 12 APN B "C3'" 1 
ATOM   204 C "C2'" A APN B 1 4 ? 12.547  13.351 19.996 0.50 24.08 ? ? ? ? ? ? 12 APN B "C2'" 1 
ATOM   205 C "C2'" B APN B 1 4 ? 12.440  13.086 19.802 0.50 35.64 ? ? ? ? ? ? 12 APN B "C2'" 1 
ATOM   206 N "N1'" A APN B 1 4 ? 11.537  12.435 19.490 0.50 25.93 ? ? ? ? ? ? 12 APN B "N1'" 1 
ATOM   207 N "N1'" B APN B 1 4 ? 11.581  12.485 18.770 0.50 40.66 ? ? ? ? ? ? 12 APN B "N1'" 1 
ATOM   208 N N9    . APN B 1 4 ? 15.439  9.126  18.121 1.00 17.87 ? ? ? ? ? ? 12 APN B N9    1 
ATOM   209 C C8    . APN B 1 4 ? 14.825  7.884  18.272 1.00 10.05 ? ? ? ? ? ? 12 APN B C8    1 
ATOM   210 N N7    . APN B 1 4 ? 15.715  6.917  17.952 1.00 16.15 ? ? ? ? ? ? 12 APN B N7    1 
ATOM   211 C C5    . APN B 1 4 ? 16.866  7.561  17.606 1.00 16.81 ? ? ? ? ? ? 12 APN B C5    1 
ATOM   212 C C6    . APN B 1 4 ? 18.122  7.149  17.208 1.00 28.35 ? ? ? ? ? ? 12 APN B C6    1 
ATOM   213 N N6    . APN B 1 4 ? 18.399  5.853  17.107 1.00 31.45 ? ? ? ? ? ? 12 APN B N6    1 
ATOM   214 N N1    . APN B 1 4 ? 19.102  8.064  16.947 1.00 26.60 ? ? ? ? ? ? 12 APN B N1    1 
ATOM   215 C C2    . APN B 1 4 ? 18.739  9.287  17.101 1.00 24.34 ? ? ? ? ? ? 12 APN B C2    1 
ATOM   216 N N3    . APN B 1 4 ? 17.587  9.772  17.483 1.00 18.28 ? ? ? ? ? ? 12 APN B N3    1 
ATOM   217 C C4    . APN B 1 4 ? 16.702  8.883  17.722 1.00 16.77 ? ? ? ? ? ? 12 APN B C4    1 
ATOM   218 C "C8'" . CPN B 1 5 ? 19.674  10.613 20.386 1.00 29.41 ? ? ? ? ? ? 13 CPN B "C8'" 1 
ATOM   219 C "C7'" . CPN B 1 5 ? 19.465  11.097 21.861 1.00 32.78 ? ? ? ? ? ? 13 CPN B "C7'" 1 
ATOM   220 O "O7'" . CPN B 1 5 ? 19.191  10.357 22.810 1.00 34.54 ? ? ? ? ? ? 13 CPN B "O7'" 1 
ATOM   221 C "C5'" . CPN B 1 5 ? 19.735  12.908 23.492 1.00 26.71 ? ? ? ? ? ? 13 CPN B "C5'" 1 
ATOM   222 C "C'"  . CPN B 1 5 ? 21.183  13.267 23.860 1.00 21.84 ? ? ? ? ? ? 13 CPN B "C'"  1 
ATOM   223 O "O1'" . CPN B 1 5 ? 21.463  13.547 25.009 1.00 19.08 ? ? ? ? ? ? 13 CPN B "O1'" 1 
ATOM   224 N "N4'" . CPN B 1 5 ? 19.573  12.400 22.114 1.00 32.14 ? ? ? ? ? ? 13 CPN B "N4'" 1 
ATOM   225 C "C3'" . CPN B 1 5 ? 19.581  13.377 21.002 1.00 31.22 ? ? ? ? ? ? 13 CPN B "C3'" 1 
ATOM   226 C "C2'" . CPN B 1 5 ? 18.221  14.105 21.092 1.00 21.49 ? ? ? ? ? ? 13 CPN B "C2'" 1 
ATOM   227 N "N1'" . CPN B 1 5 ? 17.044  13.297 20.925 1.00 21.86 ? ? ? ? ? ? 13 CPN B "N1'" 1 
ATOM   228 N N1    . CPN B 1 5 ? 19.594  9.179  20.219 1.00 16.78 ? ? ? ? ? ? 13 CPN B N1    1 
ATOM   229 C C2    . CPN B 1 5 ? 20.735  8.538  19.884 1.00 23.15 ? ? ? ? ? ? 13 CPN B C2    1 
ATOM   230 N N3    . CPN B 1 5 ? 20.769  7.208  19.929 1.00 24.89 ? ? ? ? ? ? 13 CPN B N3    1 
ATOM   231 C C4    . CPN B 1 5 ? 19.716  6.500  20.308 1.00 22.93 ? ? ? ? ? ? 13 CPN B C4    1 
ATOM   232 C C5    . CPN B 1 5 ? 18.512  7.148  20.667 1.00 23.16 ? ? ? ? ? ? 13 CPN B C5    1 
ATOM   233 C C6    . CPN B 1 5 ? 18.509  8.491  20.599 1.00 23.03 ? ? ? ? ? ? 13 CPN B C6    1 
ATOM   234 O O2    . CPN B 1 5 ? 21.785  9.090  19.608 1.00 23.13 ? ? ? ? ? ? 13 CPN B O2    1 
ATOM   235 N N4    . CPN B 1 5 ? 19.788  5.172  20.319 1.00 24.86 ? ? ? ? ? ? 13 CPN B N4    1 
ATOM   236 C "C8'" . GPN B 1 6 ? 23.467  9.794  22.767 1.00 24.78 ? ? ? ? ? ? 14 GPN B "C8'" 1 
ATOM   237 C "C7'" . GPN B 1 6 ? 23.517  10.249 24.271 1.00 37.20 ? ? ? ? ? ? 14 GPN B "C7'" 1 
ATOM   238 O "O7'" . GPN B 1 6 ? 22.988  9.513  25.142 1.00 37.64 ? ? ? ? ? ? 14 GPN B "O7'" 1 
ATOM   239 C "C5'" . GPN B 1 6 ? 24.430  11.665 26.094 0.50 43.33 ? ? ? ? ? ? 14 GPN B "C5'" 1 
ATOM   240 C "C'"  . GPN B 1 6 ? 25.832  11.463 26.734 0.50 51.40 ? ? ? ? ? ? 14 GPN B "C'"  1 
ATOM   241 O "O1'" . GPN B 1 6 ? 26.800  11.156 25.999 0.50 47.63 ? ? ? ? ? ? 14 GPN B "O1'" 1 
ATOM   242 N "N4'" . GPN B 1 6 ? 24.137  11.390 24.657 1.00 37.24 ? ? ? ? ? ? 14 GPN B "N4'" 1 
ATOM   243 C "C3'" . GPN B 1 6 ? 24.510  12.353 23.624 1.00 31.75 ? ? ? ? ? ? 14 GPN B "C3'" 1 
ATOM   244 C "C2'" . GPN B 1 6 ? 23.475  13.577 23.376 1.00 20.80 ? ? ? ? ? ? 14 GPN B "C2'" 1 
ATOM   245 N "N1'" . GPN B 1 6 ? 22.154  13.284 22.970 1.00 15.61 ? ? ? ? ? ? 14 GPN B "N1'" 1 
ATOM   246 N N9    . GPN B 1 6 ? 23.142  8.358  22.858 1.00 19.14 ? ? ? ? ? ? 14 GPN B N9    1 
ATOM   247 C C8    . GPN B 1 6 ? 21.973  7.775  23.190 1.00 16.65 ? ? ? ? ? ? 14 GPN B C8    1 
ATOM   248 N N7    . GPN B 1 6 ? 21.990  6.483  23.169 1.00 16.98 ? ? ? ? ? ? 14 GPN B N7    1 
ATOM   249 C C5    . GPN B 1 6 ? 23.313  6.212  22.793 1.00 13.56 ? ? ? ? ? ? 14 GPN B C5    1 
ATOM   250 C C6    . GPN B 1 6 ? 24.003  4.997  22.583 1.00 14.38 ? ? ? ? ? ? 14 GPN B C6    1 
ATOM   251 O O6    . GPN B 1 6 ? 23.543  3.887  22.676 1.00 21.53 ? ? ? ? ? ? 14 GPN B O6    1 
ATOM   252 N N1    . GPN B 1 6 ? 25.317  5.105  22.233 1.00 13.59 ? ? ? ? ? ? 14 GPN B N1    1 
ATOM   253 C C2    . GPN B 1 6 ? 25.944  6.327  22.103 1.00 14.51 ? ? ? ? ? ? 14 GPN B C2    1 
ATOM   254 N N2    . GPN B 1 6 ? 27.248  6.420  21.778 1.00 10.85 ? ? ? ? ? ? 14 GPN B N2    1 
ATOM   255 N N3    . GPN B 1 6 ? 25.270  7.474  22.284 1.00 18.86 ? ? ? ? ? ? 14 GPN B N3    1 
ATOM   256 C C4    . GPN B 1 6 ? 23.984  7.353  22.622 1.00 13.36 ? ? ? ? ? ? 14 GPN B C4    1 
ATOM   257 N N     . LYS B 1 7 ? 25.887  11.625 28.120 1.00 65.90 ? ? ? ? ? ? 15 LYS B N     1 
ATOM   258 C CA    . LYS B 1 7 ? 27.082  11.657 29.065 1.00 74.82 ? ? ? ? ? ? 15 LYS B CA    1 
ATOM   259 C C     . LYS B 1 7 ? 28.105  10.559 28.898 1.00 78.49 ? ? ? ? ? ? 15 LYS B C     1 
ATOM   260 O O     . LYS B 1 7 ? 28.308  9.768  29.809 1.00 84.26 ? ? ? ? ? ? 15 LYS B O     1 
ATOM   261 C CB    . LYS B 1 7 ? 26.721  11.590 30.599 1.00 75.49 ? ? ? ? ? ? 15 LYS B CB    1 
ATOM   262 C CG    . LYS B 1 7 ? 25.822  12.722 31.242 1.00 79.16 ? ? ? ? ? ? 15 LYS B CG    1 
ATOM   263 C CD    . LYS B 1 7 ? 24.618  11.972 31.759 1.00 78.68 ? ? ? ? ? ? 15 LYS B CD    1 
ATOM   264 C CE    . LYS B 1 7 ? 23.365  12.790 31.823 1.00 77.79 ? ? ? ? ? ? 15 LYS B CE    1 
ATOM   265 N NZ    . LYS B 1 7 ? 22.667  12.129 32.890 1.00 80.44 ? ? ? ? ? ? 15 LYS B NZ    1 
ATOM   266 N N     . NH2 B 1 8 ? 28.757  10.335 27.782 1.00 81.37 ? ? ? ? ? ? 16 NH2 B N     1 
HETATM 267 O O     . HOH C 2 . ? -2.575  -5.123 9.819  1.00 26.46 ? ? ? ? ? ? 17 HOH A O     1 
HETATM 268 O O     . HOH C 2 . ? 8.940   -2.310 7.500  1.00 72.08 ? ? ? ? ? ? 20 HOH A O     1 
HETATM 269 O O     . HOH C 2 . ? -4.935  -5.989 10.170 1.00 44.44 ? ? ? ? ? ? 21 HOH A O     1 
HETATM 270 O O     . HOH C 2 . ? 2.002   -6.061 0.061  1.00 59.17 ? ? ? ? ? ? 22 HOH A O     1 
HETATM 271 O O     . HOH C 2 . ? -8.177  -3.951 -4.358 1.00 70.01 ? ? ? ? ? ? 23 HOH A O     1 
HETATM 272 O O     . HOH C 2 . ? -9.737  5.255  0.014  1.00 52.24 ? ? ? ? ? ? 25 HOH A O     1 
HETATM 273 O O     . HOH C 2 . ? -3.331  -0.576 7.112  1.00 50.85 ? ? ? ? ? ? 27 HOH A O     1 
HETATM 274 O O     . HOH C 2 . ? -13.610 1.634  -5.355 1.00 36.52 ? ? ? ? ? ? 28 HOH A O     1 
HETATM 275 O O     . HOH C 2 . ? -1.541  -4.887 3.494  1.00 10.88 ? ? ? ? ? ? 29 HOH A O     1 
HETATM 276 O O     . HOH C 2 . ? 3.949   -3.928 5.360  1.00 61.55 ? ? ? ? ? ? 30 HOH A O     1 
HETATM 277 O O     . HOH C 2 . ? 2.308   -5.405 11.440 1.00 16.75 ? ? ? ? ? ? 33 HOH A O     1 
HETATM 278 O O     . HOH C 2 . ? 11.514  0.768  13.657 1.00 26.01 ? ? ? ? ? ? 36 HOH A O     1 
HETATM 279 O O     . HOH C 2 . ? -3.582  3.106  3.651  1.00 29.13 ? ? ? ? ? ? 38 HOH A O     1 
HETATM 280 O O     . HOH C 2 . ? -17.632 1.191  -5.136 1.00 65.41 ? ? ? ? ? ? 39 HOH A O     1 
HETATM 281 O O     . HOH C 2 . ? -8.131  1.147  3.365  1.00 43.55 ? ? ? ? ? ? 43 HOH A O     1 
HETATM 282 O O     . HOH D 2 . ? 21.293  2.318  22.034 1.00 48.09 ? ? ? ? ? ? 18 HOH B O     1 
HETATM 283 O O     . HOH D 2 . ? 21.181  1.953  18.165 1.00 43.57 ? ? ? ? ? ? 19 HOH B O     1 
HETATM 284 O O     . HOH D 2 . ? 3.476   -0.722 12.668 1.00 62.87 ? ? ? ? ? ? 24 HOH B O     1 
HETATM 285 O O     . HOH D 2 . ? 18.455  2.431  19.396 1.00 53.83 ? ? ? ? ? ? 26 HOH B O     1 
HETATM 286 O O     . HOH D 2 . ? 22.623  12.254 20.460 1.00 24.00 ? ? ? ? ? ? 31 HOH B O     1 
HETATM 287 O O     . HOH D 2 . ? 8.415   9.117  12.712 1.00 34.76 ? ? ? ? ? ? 32 HOH B O     1 
HETATM 288 O O     . HOH D 2 . ? 22.309  12.523 28.834 1.00 47.44 ? ? ? ? ? ? 34 HOH B O     1 
HETATM 289 O O     . HOH D 2 . ? 14.366  12.410 14.130 1.00 41.29 ? ? ? ? ? ? 35 HOH B O     1 
HETATM 290 O O     . HOH D 2 . ? 21.294  8.479  26.399 1.00 43.84 ? ? ? ? ? ? 37 HOH B O     1 
HETATM 291 O O     . HOH D 2 . ? 9.373   3.929  18.038 1.00 73.26 ? ? ? ? ? ? 40 HOH B O     1 
HETATM 292 O O     . HOH D 2 . ? 17.236  12.832 17.826 1.00 22.10 ? ? ? ? ? ? 41 HOH B O     1 
HETATM 293 O O     . HOH D 2 . ? 5.175   3.313  17.287 1.00 75.03 ? ? ? ? ? ? 42 HOH B O     1 
HETATM 294 O O     . HOH D 2 . ? 26.703  9.956  22.670 1.00 61.55 ? ? ? ? ? ? 44 HOH B O     1 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1 CPN 1 1  1  CPN CPN A . n 
A 1 2 GPN 2 2  2  GPN GPN A . n 
A 1 3 TPN 3 3  3  TPN TPN A . n 
A 1 4 APN 4 4  4  APN APN A . n 
A 1 5 CPN 5 5  5  CPN CPN A . n 
A 1 6 GPN 6 6  6  GPN GPN A . n 
A 1 7 LYS 7 7  7  LYS LYS A . n 
A 1 8 NH2 8 8  8  NH2 NH2 A . n 
B 1 1 CPN 1 9  9  CPN CPN B . n 
B 1 2 GPN 2 10 10 GPN GPN B . n 
B 1 3 TPN 3 11 11 TPN TPN B . n 
B 1 4 APN 4 12 12 APN APN B . n 
B 1 5 CPN 5 13 13 CPN CPN B . n 
B 1 6 GPN 6 14 14 GPN GPN B . n 
B 1 7 LYS 7 15 15 LYS LYS B . n 
B 1 8 NH2 8 16 16 NH2 NH2 B . n 
# 
loop_
_software.name 
_software.classification 
_software.version 
_software.citation_id 
_software.pdbx_ordinal 
DENZO    'data collection' .     ? 1 
TRUNCATE 'data reduction'  .     ? 2 
AMoRE    'model building'  .     ? 3 
X-PLOR   refinement        3.851 ? 4 
# 
loop_
_pdbx_version.entry_id 
_pdbx_version.revision_date 
_pdbx_version.major_version 
_pdbx_version.minor_version 
_pdbx_version.revision_type 
_pdbx_version.details 
1RRU 2008-04-29 3 2    'Version format compliance' 'compliance with PDB format V.3.15'          
1RRU 2011-07-13 4 0000 'Version format compliance' 'compliance with PDB Exchange Dictionary V4' 
1RRU 2011-07-13 4 0000 'Non-polymer description'   'chemical name/synonym update'               
# 
_ndb_struct_conf_na.entry_id   1RRU 
_ndb_struct_conf_na.feature    '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.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 CPN 1 1_555 A GPN 6 2_555 -0.972 -0.412 -0.093 4.721  -3.324 1 A_CPN1:GPN6_A A 1 ? A 6 ? 19 1 
1 A GPN 2 1_555 A CPN 5 2_555 0.770  -0.473 -0.278 -3.942 -3.170 2 A_GPN2:CPN5_A A 2 ? A 5 ? 19 1 
1 A TPN 3 1_555 A APN 4 2_555 -0.148 -0.519 -0.498 0.640  -1.452 3 A_TPN3:APN4_A A 3 ? A 4 ? 20 1 
1 A APN 4 1_555 A TPN 3 2_555 0.148  -0.519 -0.498 -0.640 -1.452 4 A_APN4:TPN3_A A 4 ? A 3 ? 20 1 
1 A CPN 5 1_555 A GPN 2 2_555 -0.770 -0.473 -0.278 3.942  -3.170 5 A_CPN5:GPN2_A A 5 ? A 2 ? 19 1 
1 A GPN 6 1_555 A CPN 1 2_555 0.972  -0.412 -0.093 -4.721 -3.324 6 A_GPN6:CPN1_A A 6 ? A 1 ? 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 CPN 1 1_555 A GPN 6 2_555 A GPN 2 1_555 A CPN 5 2_555 -0.026 -2.279 3.698 1.750  3.132 28.762 -5.310  0.475  3.428 6.273  
-3.506  28.981 1 AA_CPN1GPN2:CPN5GPN6_AA A 1 ? A 6 ? A 2 ? A 5 ? 
1 A GPN 2 1_555 A CPN 5 2_555 A TPN 3 1_555 A APN 4 2_555 -0.572 -2.843 3.244 2.423  1.575 13.095 -13.689 4.778  2.733 6.798  
-10.458 13.408 2 AA_GPN2TPN3:APN4CPN5_AA A 2 ? A 5 ? A 3 ? A 4 ? 
1 A TPN 3 1_555 A APN 4 2_555 A APN 4 1_555 A TPN 3 2_555 -0.000 -1.064 3.621 -0.000 6.477 17.169 -7.108  0.000  3.018 20.760 
0.000   18.342 3 AA_TPN3APN4:TPN3APN4_AA A 3 ? A 4 ? A 4 ? A 3 ? 
1 A APN 4 1_555 A TPN 3 2_555 A CPN 5 1_555 A GPN 2 2_555 0.572  -2.843 3.244 -2.423 1.575 13.095 -13.689 -4.778 2.733 6.797  
10.458  13.408 4 AA_APN4CPN5:GPN2TPN3_AA A 4 ? A 3 ? A 5 ? A 2 ? 
1 A CPN 5 1_555 A GPN 2 2_555 A GPN 6 1_555 A CPN 1 2_555 0.026  -2.279 3.698 -1.750 3.132 28.762 -5.310  -0.475 3.428 6.273  
3.506   28.981 5 AA_CPN5GPN6:CPN1GPN2_AA A 5 ? A 2 ? A 6 ? A 1 ? 
# 
loop_
_pdbx_struct_assembly.id 
_pdbx_struct_assembly.details 
_pdbx_struct_assembly.method_details 
_pdbx_struct_assembly.oligomeric_details 
_pdbx_struct_assembly.oligomeric_count 
1 author_defined_assembly ? dimeric 2 
2 author_defined_assembly ? dimeric 2 
# 
loop_
_pdbx_struct_assembly_gen.assembly_id 
_pdbx_struct_assembly_gen.oper_expression 
_pdbx_struct_assembly_gen.asym_id_list 
1 1,2 A,C 
2 1,3 B,D 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1 'identity operation'         1_555 x,y,z       1.0000000000  0.0000000000 0.0000000000 0.0000000000  0.0000000000 1.0000000000 
0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000  0.0000000000  
2 'crystal symmetry operation' 2_555 -x,y,-z     -1.0000000000 0.0000000000 0.0000000000 0.0000000000  0.0000000000 1.0000000000 
0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000  
3 'crystal symmetry operation' 2_656 -x+1,y,-z+1 -1.0000000000 0.0000000000 0.0000000000 35.9273086356 0.0000000000 1.0000000000 
0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 31.2091585743 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
C 2 HOH 1  17 17 HOH HOH A . 
C 2 HOH 2  20 20 HOH HOH A . 
C 2 HOH 3  21 21 HOH HOH A . 
C 2 HOH 4  22 22 HOH HOH A . 
C 2 HOH 5  23 23 HOH HOH A . 
C 2 HOH 6  25 25 HOH HOH A . 
C 2 HOH 7  27 27 HOH HOH A . 
C 2 HOH 8  28 28 HOH HOH A . 
C 2 HOH 9  29 29 HOH HOH A . 
C 2 HOH 10 30 30 HOH HOH A . 
C 2 HOH 11 33 33 HOH HOH A . 
C 2 HOH 12 36 36 HOH HOH A . 
C 2 HOH 13 38 38 HOH HOH A . 
C 2 HOH 14 39 39 HOH HOH A . 
C 2 HOH 15 43 43 HOH HOH A . 
D 2 HOH 1  18 18 HOH HOH B . 
D 2 HOH 2  19 19 HOH HOH B . 
D 2 HOH 3  24 24 HOH HOH B . 
D 2 HOH 4  26 26 HOH HOH B . 
D 2 HOH 5  31 31 HOH HOH B . 
D 2 HOH 6  32 32 HOH HOH B . 
D 2 HOH 7  34 34 HOH HOH B . 
D 2 HOH 8  35 35 HOH HOH B . 
D 2 HOH 9  37 37 HOH HOH B . 
D 2 HOH 10 40 40 HOH HOH B . 
D 2 HOH 11 41 41 HOH HOH B . 
D 2 HOH 12 42 42 HOH HOH B . 
D 2 HOH 13 44 44 HOH HOH B . 
# 
loop_
_pdbx_struct_mod_residue.id 
_pdbx_struct_mod_residue.label_asym_id 
_pdbx_struct_mod_residue.label_seq_id 
_pdbx_struct_mod_residue.label_comp_id 
_pdbx_struct_mod_residue.auth_asym_id 
_pdbx_struct_mod_residue.auth_seq_id 
_pdbx_struct_mod_residue.auth_comp_id 
_pdbx_struct_mod_residue.PDB_ins_code 
_pdbx_struct_mod_residue.parent_comp_id 
_pdbx_struct_mod_residue.details 
1  A 1 CPN A 1  CPN ? DC ? 
2  A 2 GPN A 2  GPN ? DG ? 
3  A 3 TPN A 3  TPN ? DT ? 
4  A 4 APN A 4  APN ? DA ? 
5  A 5 CPN A 5  CPN ? DC ? 
6  A 6 GPN A 6  GPN ? DG ? 
7  B 1 CPN B 9  CPN ? DC ? 
8  B 2 GPN B 10 GPN ? DG ? 
9  B 3 TPN B 11 TPN ? DT ? 
10 B 4 APN B 12 APN ? DA ? 
11 B 5 CPN B 13 CPN ? DC ? 
12 B 6 GPN B 14 GPN ? DG ? 
# 
_pdbx_entity_nonpoly.entity_id   2 
_pdbx_entity_nonpoly.name        water 
_pdbx_entity_nonpoly.comp_id     HOH 
# 
