data_4LB6
# 
_entry.id   4LB6 
# 
_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   4LB6         
NDB   NA2567       
RCSB  RCSB080410   
WWPDB D_1000080410 
# 
_pdbx_database_related.db_name        PDB 
_pdbx_database_related.db_id          4LB5 
_pdbx_database_related.details        . 
_pdbx_database_related.content_type   unspecified 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.entry_id                        4LB6 
_pdbx_database_status.recvd_initial_deposition_date   2013-06-20 
_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 
'De Rosa, M.'      1 
'Zacarias, S.'     2 
'Athanasiadis, A.' 3 
# 
_citation.id                        primary 
_citation.title                     
'Structural basis for Z-DNA binding and stabilization by the zebrafish Z-DNA dependent protein kinase PKZ.' 
_citation.journal_abbrev            'Nucleic Acids Res.' 
_citation.journal_volume            41 
_citation.page_first                9924 
_citation.page_last                 9933 
_citation.year                      2013 
_citation.journal_id_ASTM           NARHAD 
_citation.country                   UK 
_citation.journal_id_ISSN           0305-1048 
_citation.journal_id_CSD            0389 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   23975196 
_citation.pdbx_database_id_DOI      10.1093/nar/gkt743 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
primary 'de Rosa, M.'      1 
primary 'Zacarias, S.'     2 
primary 'Athanasiadis, A.' 3 
# 
_cell.entry_id           4LB6 
_cell.length_a           110.910 
_cell.length_b           110.910 
_cell.length_c           43.140 
_cell.angle_alpha        90.00 
_cell.angle_beta         90.00 
_cell.angle_gamma        90.00 
_cell.Z_PDB              16 
_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                         4LB6 
_symmetry.space_group_name_H-M             'I 4 2 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                97 
_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 man 'Protein kinase containing Z-DNA binding domains' 8450.583 1  2.7.11.1 ? 'Zalpha domain, UNP residues 5-70' ? 
2 polymer syn "5'-D(*TP*CP*GP*CP*GP*CP*GP*CP*GP*CP*GP*CP*G)-3'" 3969.561 1  ?        ? ?                                  ? 
3 water   nat water                                             18.015   73 ?        ? ?                                  ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Uncharacterized protein, Z-DNA binding protein kinase' 
# 
loop_
_entity_poly.entity_id 
_entity_poly.type 
_entity_poly.nstd_linkage 
_entity_poly.nstd_monomer 
_entity_poly.pdbx_seq_one_letter_code 
_entity_poly.pdbx_seq_one_letter_code_can 
_entity_poly.pdbx_strand_id 
_entity_poly.pdbx_target_identifier 
1 'polypeptide(L)'        no no GSHMASSAENEIEMRICDYLRRHGRSTVQDIFKELKLEKSTVNRHLYSLQASKQVFKTVEDNKRPVWNLVES 
GSHMASSAENEIEMRICDYLRRHGRSTVQDIFKELKLEKSTVNRHLYSLQASKQVFKTVEDNKRPVWNLVES B ? 
2 polydeoxyribonucleotide no no '(DT)(DC)(DG)(DC)(DG)(DC)(DG)(DC)(DG)(DC)(DG)(DC)(DG)'                   TCGCGCGCGCGCG C ? 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1  GLY n 
1 2  SER n 
1 3  HIS n 
1 4  MET n 
1 5  ALA n 
1 6  SER n 
1 7  SER n 
1 8  ALA n 
1 9  GLU n 
1 10 ASN n 
1 11 GLU n 
1 12 ILE n 
1 13 GLU n 
1 14 MET n 
1 15 ARG n 
1 16 ILE n 
1 17 CYS n 
1 18 ASP n 
1 19 TYR n 
1 20 LEU n 
1 21 ARG n 
1 22 ARG n 
1 23 HIS n 
1 24 GLY n 
1 25 ARG n 
1 26 SER n 
1 27 THR n 
1 28 VAL n 
1 29 GLN n 
1 30 ASP n 
1 31 ILE n 
1 32 PHE n 
1 33 LYS n 
1 34 GLU n 
1 35 LEU n 
1 36 LYS n 
1 37 LEU n 
1 38 GLU n 
1 39 LYS n 
1 40 SER n 
1 41 THR n 
1 42 VAL n 
1 43 ASN n 
1 44 ARG n 
1 45 HIS n 
1 46 LEU n 
1 47 TYR n 
1 48 SER n 
1 49 LEU n 
1 50 GLN n 
1 51 ALA n 
1 52 SER n 
1 53 LYS n 
1 54 GLN n 
1 55 VAL n 
1 56 PHE n 
1 57 LYS n 
1 58 THR n 
1 59 VAL n 
1 60 GLU n 
1 61 ASP n 
1 62 ASN n 
1 63 LYS n 
1 64 ARG n 
1 65 PRO n 
1 66 VAL n 
1 67 TRP n 
1 68 ASN n 
1 69 LEU n 
1 70 VAL n 
1 71 GLU n 
1 72 SER n 
2 1  DT  n 
2 2  DC  n 
2 3  DG  n 
2 4  DC  n 
2 5  DG  n 
2 6  DC  n 
2 7  DG  n 
2 8  DC  n 
2 9  DG  n 
2 10 DC  n 
2 11 DG  n 
2 12 DC  n 
2 13 DG  n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      ? 
_entity_src_gen.pdbx_beg_seq_num                   ? 
_entity_src_gen.pdbx_end_seq_num                   ? 
_entity_src_gen.gene_src_common_name               'leopard danio,zebra danio,zebra fish' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 pkz 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Danio rerio' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     7955 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     469008 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               'BL21 (DE3)' 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       pET28b 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
_pdbx_entity_src_syn.entity_id              2 
_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    ? 
_pdbx_entity_src_syn.organism_common_name   ? 
_pdbx_entity_src_syn.ncbi_taxonomy_id       ? 
_pdbx_entity_src_syn.details                'Synthetic oligonucleotide' 
# 
loop_
_struct_ref.id 
_struct_ref.db_name 
_struct_ref.db_code 
_struct_ref.pdbx_db_accession 
_struct_ref.entity_id 
_struct_ref.pdbx_seq_one_letter_code 
_struct_ref.pdbx_align_begin 
_struct_ref.pdbx_db_isoform 
1 UNP Q5NE14_DANRE Q5NE14 1 SAENEIEMRICDYLRRHGRSTVQDIFKELKLEKSTVNRHLYSLQASKQVFKTVEDNKRPVWNLVES 5 ? 
2 PDB 4LB6         4LB6   2 TCGCGCGCGCGCG                                                      ? ? 
# 
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 4LB6 B 7 ? 72 ? Q5NE14 5 ? 70 ? 5 70 
2 2 4LB6 C 1 ? 13 ? 4LB6   7 ? 19 ? 7 19 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 4LB6 GLY B 1 ? UNP Q5NE14 ? ? 'EXPRESSION TAG' -1 1 
1 4LB6 SER B 2 ? UNP Q5NE14 ? ? 'EXPRESSION TAG' 0  2 
1 4LB6 HIS B 3 ? UNP Q5NE14 ? ? 'EXPRESSION TAG' 1  3 
1 4LB6 MET B 4 ? UNP Q5NE14 ? ? 'EXPRESSION TAG' 2  4 
1 4LB6 ALA B 5 ? UNP Q5NE14 ? ? 'EXPRESSION TAG' 3  5 
1 4LB6 SER B 6 ? UNP Q5NE14 ? ? 'EXPRESSION TAG' 4  6 
# 
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 
ALA 'L-peptide linking' y ALANINE                              ? 'C3 H7 N O2'      89.093  
ARG 'L-peptide linking' y ARGININE                             ? 'C6 H15 N4 O2 1'  175.209 
ASN 'L-peptide linking' y ASPARAGINE                           ? 'C4 H8 N2 O3'     132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'                      ? 'C4 H7 N O4'      133.103 
CYS 'L-peptide linking' y CYSTEINE                             ? 'C3 H7 N O2 S'    121.158 
DC  'DNA linking'       y "2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE"  ? 'C9 H14 N3 O7 P'  307.197 
DG  'DNA linking'       y "2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221 
DT  'DNA linking'       y "THYMIDINE-5'-MONOPHOSPHATE"         ? 'C10 H15 N2 O8 P' 322.208 
GLN 'L-peptide linking' y GLUTAMINE                            ? 'C5 H10 N2 O3'    146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'                      ? 'C5 H9 N O4'      147.129 
GLY 'peptide linking'   y GLYCINE                              ? 'C2 H5 N O2'      75.067  
HIS 'L-peptide linking' y HISTIDINE                            ? 'C6 H10 N3 O2 1'  156.162 
HOH non-polymer         . WATER                                ? 'H2 O'            18.015  
ILE 'L-peptide linking' y ISOLEUCINE                           ? 'C6 H13 N O2'     131.173 
LEU 'L-peptide linking' y LEUCINE                              ? 'C6 H13 N O2'     131.173 
LYS 'L-peptide linking' y LYSINE                               ? 'C6 H15 N2 O2 1'  147.195 
MET 'L-peptide linking' y METHIONINE                           ? 'C5 H11 N O2 S'   149.211 
PHE 'L-peptide linking' y PHENYLALANINE                        ? 'C9 H11 N O2'     165.189 
PRO 'L-peptide linking' y PROLINE                              ? 'C5 H9 N O2'      115.130 
SER 'L-peptide linking' y SERINE                               ? 'C3 H7 N O3'      105.093 
THR 'L-peptide linking' y THREONINE                            ? 'C4 H9 N O3'      119.119 
TRP 'L-peptide linking' y TRYPTOPHAN                           ? 'C11 H12 N2 O2'   204.225 
TYR 'L-peptide linking' y TYROSINE                             ? 'C9 H11 N O3'     181.189 
VAL 'L-peptide linking' y VALINE                               ? 'C5 H11 N O2'     117.146 
# 
_exptl.entry_id          4LB6 
_exptl.method            'X-RAY DIFFRACTION' 
_exptl.crystals_number   1 
# 
_exptl_crystal.id                    1 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_Matthews      2.67 
_exptl_crystal.density_percent_sol   53.94 
_exptl_crystal.description           ? 
_exptl_crystal.F_000                 ? 
_exptl_crystal.preparation           ? 
# 
_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              5.4 
_exptl_crystal_grow.pdbx_details    
'2.0 M ammonium sulfate, 0.1 M sodium acetate, 7.5 % glycerol, pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K' 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           70 
_diffrn.ambient_temp_details   ? 
_diffrn.crystal_id             1 
# 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.detector               PIXEL 
_diffrn_detector.type                   'PILATUS 6M-F' 
_diffrn_detector.pdbx_collection_date   2012-09-29 
_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   0.97 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'ESRF BEAMLINE ID23-1' 
_diffrn_source.pdbx_synchrotron_site       ESRF 
_diffrn_source.pdbx_synchrotron_beamline   ID23-1 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_wavelength_list        0.97 
# 
_reflns.entry_id                     4LB6 
_reflns.observed_criterion_sigma_I   2.0 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             32.55 
_reflns.d_resolution_high            1.8 
_reflns.number_obs                   12161 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         96.4 
_reflns.pdbx_Rmerge_I_obs            0.074 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        11.3 
_reflns.B_iso_Wilson_estimate        27.1 
_reflns.pdbx_redundancy              4.6 
_reflns.R_free_details               ? 
_reflns.limit_h_max                  ? 
_reflns.limit_h_min                  ? 
_reflns.limit_k_max                  ? 
_reflns.limit_k_min                  ? 
_reflns.limit_l_max                  ? 
_reflns.limit_l_min                  ? 
_reflns.observed_criterion_F_max     ? 
_reflns.observed_criterion_F_min     ? 
_reflns.pdbx_chi_squared             ? 
_reflns.pdbx_scaling_rejects         ? 
_reflns.pdbx_ordinal                 1 
_reflns.pdbx_diffrn_id               1 
# 
_reflns_shell.d_res_high             1.8 
_reflns_shell.d_res_low              1.9 
_reflns_shell.percent_possible_all   96.0 
_reflns_shell.Rmerge_I_obs           0.679 
_reflns_shell.pdbx_Rsym_value        ? 
_reflns_shell.meanI_over_sigI_obs    2.2 
_reflns_shell.pdbx_redundancy        4.7 
_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       ? 
_reflns_shell.pdbx_ordinal           1 
_reflns_shell.pdbx_diffrn_id         1 
# 
_refine.entry_id                                 4LB6 
_refine.ls_number_reflns_obs                     12155 
_refine.ls_number_reflns_all                     ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.35 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.ls_d_res_low                             28.072 
_refine.ls_d_res_high                            1.800 
_refine.ls_percent_reflns_obs                    94.99 
_refine.ls_R_factor_obs                          0.1841 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_R_work                       0.1809 
_refine.ls_R_factor_R_free                       0.2116 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_percent_reflns_R_free                 10.00 
_refine.ls_number_reflns_R_free                  1216 
_refine.ls_number_parameters                     ? 
_refine.ls_number_restraints                     ? 
_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                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_ksol                 ? 
_refine.solvent_model_param_bsol                 ? 
_refine.pdbx_solvent_vdw_probe_radii             1.11 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.90 
_refine.pdbx_ls_cross_valid_method               ? 
_refine.details                                  ? 
_refine.pdbx_starting_model                      'PDB ENTRY 4LB5' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_stereochemistry_target_values       ML 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_R_Free_selection_details            'lattice symmetry 10%' 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.overall_SU_ML                            0.17 
_refine.pdbx_overall_phase_error                 21.00 
_refine.overall_SU_B                             ? 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.B_iso_min                                ? 
_refine.B_iso_max                                ? 
_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.pdbx_diffrn_id                           1 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        535 
_refine_hist.pdbx_number_atoms_nucleic_acid   123 
_refine_hist.pdbx_number_atoms_ligand         0 
_refine_hist.number_atoms_solvent             73 
_refine_hist.number_atoms_total               731 
_refine_hist.d_res_high                       1.800 
_refine_hist.d_res_low                        28.072 
# 
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_restraint_function 
_refine_ls_restr.pdbx_refine_id 
f_bond_d           0.019  ? ? 684 ? 'X-RAY DIFFRACTION' 
f_angle_d          2.062  ? ? 944 ? 'X-RAY DIFFRACTION' 
f_dihedral_angle_d 19.133 ? ? 274 ? 'X-RAY DIFFRACTION' 
f_chiral_restr     0.138  ? ? 105 ? 'X-RAY DIFFRACTION' 
f_plane_restr      0.009  ? ? 100 ? 'X-RAY DIFFRACTION' 
# 
loop_
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.R_factor_R_free 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.pdbx_refine_id 
. 1.8000 1.8721  1188 0.2328 95.00 0.2574 . . 131 . . . . 'X-RAY DIFFRACTION' 
. 1.8721 1.9573  1188 0.2237 95.00 0.2510 . . 133 . . . . 'X-RAY DIFFRACTION' 
. 1.9573 2.0604  1178 0.2019 95.00 0.2436 . . 131 . . . . 'X-RAY DIFFRACTION' 
. 2.0604 2.1895  1213 0.1877 96.00 0.2300 . . 135 . . . . 'X-RAY DIFFRACTION' 
. 2.1895 2.3584  1211 0.1793 96.00 0.2112 . . 135 . . . . 'X-RAY DIFFRACTION' 
. 2.3584 2.5956  1231 0.1893 97.00 0.2229 . . 136 . . . . 'X-RAY DIFFRACTION' 
. 2.5956 2.9709  1241 0.1948 97.00 0.2175 . . 138 . . . . 'X-RAY DIFFRACTION' 
. 2.9709 3.7416  1244 0.1662 96.00 0.2000 . . 139 . . . . 'X-RAY DIFFRACTION' 
. 3.7416 28.0754 1245 0.1667 90.00 0.1939 . . 138 . . . . 'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  4LB6 
_struct.title                     'Crystal structure of PKZ Zalpha in complex with ds(CG)6 (tetragonal form)' 
_struct.pdbx_descriptor           'Protein kinase containing Z-DNA binding domains (E.C.2.7.11.1)' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        4LB6 
_struct_keywords.pdbx_keywords   TRANSFERASE/DNA 
_struct_keywords.text            'wHTH, Zalpha, ZBD, Kinase, innate immunity, Z-DNA, Z-RNA, eIF2a, TRANSFERASE-DNA complex' 
# 
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 2 ? 
C N N 3 ? 
D N N 3 ? 
# 
_struct_biol.id        1 
_struct_biol.details   ? 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 1 GLU A 9  ? GLY A 24 ? GLU B 7  GLY B 22 1 ? 16 
HELX_P HELX_P2 2 THR A 27 ? LYS A 36 ? THR B 25 LYS B 34 1 ? 10 
HELX_P HELX_P3 3 GLU A 38 ? SER A 52 ? GLU B 36 SER B 50 1 ? 15 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
hydrog1  hydrog ? ? B DC 2 N3 ? ? ? 1_555 B DG 5 N1 ? ? C DC 8  C DG 11 8_556 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog2  hydrog ? ? B DC 2 N4 ? ? ? 1_555 B DG 5 O6 ? ? C DC 8  C DG 11 8_556 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog3  hydrog ? ? B DC 2 O2 ? ? ? 1_555 B DG 5 N2 ? ? C DC 8  C DG 11 8_556 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog4  hydrog ? ? B DG 3 N1 ? ? ? 1_555 B DC 4 N3 ? ? C DG 9  C DC 10 8_556 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog5  hydrog ? ? B DG 3 N2 ? ? ? 1_555 B DC 4 O2 ? ? C DG 9  C DC 10 8_556 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog6  hydrog ? ? B DG 3 O6 ? ? ? 1_555 B DC 4 N4 ? ? C DG 9  C DC 10 8_556 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog7  hydrog ? ? B DC 4 N3 ? ? ? 1_555 B DG 3 N1 ? ? C DC 10 C DG 9  8_556 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog8  hydrog ? ? B DC 4 N4 ? ? ? 1_555 B DG 3 O6 ? ? C DC 10 C DG 9  8_556 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog9  hydrog ? ? B DC 4 O2 ? ? ? 1_555 B DG 3 N2 ? ? C DC 10 C DG 9  8_556 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog10 hydrog ? ? B DG 5 N1 ? ? ? 1_555 B DC 2 N3 ? ? C DG 11 C DC 8  8_556 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog11 hydrog ? ? B DG 5 N2 ? ? ? 1_555 B DC 2 O2 ? ? C DG 11 C DC 8  8_556 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog12 hydrog ? ? B DG 5 O6 ? ? ? 1_555 B DC 2 N4 ? ? C DG 11 C DC 8  8_556 ? ? ? ? ? ? WATSON-CRICK ? ? 
# 
_struct_conn_type.id          hydrog 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
_struct_sheet.id               A 
_struct_sheet.type             ? 
_struct_sheet.number_strands   2 
_struct_sheet.details          ? 
# 
_struct_sheet_order.sheet_id     A 
_struct_sheet_order.range_id_1   1 
_struct_sheet_order.range_id_2   2 
_struct_sheet_order.offset       ? 
_struct_sheet_order.sense        anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
A 1 VAL A 55 ? THR A 58 ? VAL B 53 THR B 56 
A 2 VAL A 66 ? LEU A 69 ? VAL B 64 LEU B 67 
# 
_pdbx_struct_sheet_hbond.sheet_id                A 
_pdbx_struct_sheet_hbond.range_id_1              1 
_pdbx_struct_sheet_hbond.range_id_2              2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id   N 
_pdbx_struct_sheet_hbond.range_1_label_comp_id   PHE 
_pdbx_struct_sheet_hbond.range_1_label_asym_id   A 
_pdbx_struct_sheet_hbond.range_1_label_seq_id    56 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code    ? 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id    N 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id    PHE 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id    B 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id     54 
_pdbx_struct_sheet_hbond.range_2_label_atom_id   O 
_pdbx_struct_sheet_hbond.range_2_label_comp_id   ASN 
_pdbx_struct_sheet_hbond.range_2_label_asym_id   A 
_pdbx_struct_sheet_hbond.range_2_label_seq_id    68 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code    ? 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id    O 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id    ASN 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id    B 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id     66 
# 
_database_PDB_matrix.entry_id          4LB6 
_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                    4LB6 
_atom_sites.fract_transf_matrix[1][1]   0.009016 
_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]   0.009016 
_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]   0.023180 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
# 
loop_
_atom_type.symbol 
C 
N 
O 
P 
S 
# 
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   N N     . GLU A 1 9  ? -8.712  20.794 28.724 1.00 55.75 ? 7   GLU B N     1 
ATOM   2   C CA    . GLU A 1 9  ? -7.316  20.716 28.314 1.00 48.62 ? 7   GLU B CA    1 
ATOM   3   C C     . GLU A 1 9  ? -6.620  22.063 28.173 1.00 45.72 ? 7   GLU B C     1 
ATOM   4   O O     . GLU A 1 9  ? -7.074  23.015 27.485 1.00 40.30 ? 7   GLU B O     1 
ATOM   5   C CB    . GLU A 1 9  ? -7.123  19.933 27.000 1.00 45.74 ? 7   GLU B CB    1 
ATOM   6   C CG    . GLU A 1 9  ? -6.578  18.505 27.189 1.00 50.68 ? 7   GLU B CG    1 
ATOM   7   C CD    . GLU A 1 9  ? -5.295  18.402 28.054 1.00 61.97 ? 7   GLU B CD    1 
ATOM   8   O OE1   . GLU A 1 9  ? -4.210  18.902 27.645 1.00 59.38 ? 7   GLU B OE1   1 
ATOM   9   O OE2   . GLU A 1 9  ? -5.370  17.797 29.149 1.00 64.28 ? 7   GLU B OE2   1 
ATOM   10  N N     . ASN A 1 10 ? -5.438  22.087 28.757 1.00 47.02 ? 8   ASN B N     1 
ATOM   11  C CA    . ASN A 1 10 ? -4.464  23.116 28.476 1.00 45.66 ? 8   ASN B CA    1 
ATOM   12  C C     . ASN A 1 10 ? -4.098  23.053 27.009 1.00 41.20 ? 8   ASN B C     1 
ATOM   13  O O     . ASN A 1 10 ? -3.828  24.080 26.404 1.00 38.28 ? 8   ASN B O     1 
ATOM   14  C CB    . ASN A 1 10 ? -3.266  22.940 29.407 1.00 47.60 ? 8   ASN B CB    1 
ATOM   15  C CG    . ASN A 1 10 ? -3.692  22.985 30.852 1.00 58.24 ? 8   ASN B CG    1 
ATOM   16  O OD1   . ASN A 1 10 ? -4.751  23.551 31.159 1.00 60.97 ? 8   ASN B OD1   1 
ATOM   17  N ND2   . ASN A 1 10 ? -2.902  22.385 31.750 1.00 60.98 ? 8   ASN B ND2   1 
ATOM   18  N N     . GLU A 1 11 ? -4.146  21.861 26.414 1.00 41.66 ? 9   GLU B N     1 
ATOM   19  C CA    . GLU A 1 11 ? -3.819  21.751 24.994 1.00 41.41 ? 9   GLU B CA    1 
ATOM   20  C C     . GLU A 1 11 ? -4.852  22.465 24.109 1.00 36.62 ? 9   GLU B C     1 
ATOM   21  O O     . GLU A 1 11 ? -4.506  23.124 23.133 1.00 38.44 ? 9   GLU B O     1 
ATOM   22  C CB    . GLU A 1 11 ? -3.676  20.298 24.539 1.00 44.59 ? 9   GLU B CB    1 
ATOM   23  C CG    . GLU A 1 11 ? -3.301  20.175 23.054 1.00 44.10 ? 9   GLU B CG    1 
ATOM   24  C CD    . GLU A 1 11 ? -1.778  20.306 22.804 1.00 53.69 ? 9   GLU B CD    1 
ATOM   25  O OE1   . GLU A 1 11 ? -0.973  20.084 23.735 1.00 52.43 ? 9   GLU B OE1   1 
ATOM   26  O OE2   . GLU A 1 11 ? -1.385  20.631 21.667 1.00 58.97 ? 9   GLU B OE2   1 
ATOM   27  N N     . ILE A 1 12 ? -6.125  22.269 24.417 1.00 29.03 ? 10  ILE B N     1 
ATOM   28  C CA    . ILE A 1 12 ? -7.191  22.972 23.678 1.00 28.30 ? 10  ILE B CA    1 
ATOM   29  C C     . ILE A 1 12 ? -6.989  24.457 23.824 1.00 30.93 ? 10  ILE B C     1 
ATOM   30  O O     . ILE A 1 12 ? -7.071  25.205 22.857 1.00 27.79 ? 10  ILE B O     1 
ATOM   31  C CB    . ILE A 1 12 ? -8.608  22.632 24.247 1.00 30.42 ? 10  ILE B CB    1 
ATOM   32  C CG1   . ILE A 1 12 ? -8.913  21.165 24.057 1.00 36.17 ? 10  ILE B CG1   1 
ATOM   33  C CG2   . ILE A 1 12 ? -9.724  23.536 23.644 1.00 28.24 ? 10  ILE B CG2   1 
ATOM   34  C CD1   . ILE A 1 12 ? -8.862  20.751 22.637 1.00 44.81 ? 10  ILE B CD1   1 
ATOM   35  N N     . GLU A 1 13 ? -6.735  24.898 25.057 1.00 30.66 ? 11  GLU B N     1 
ATOM   36  C CA    . GLU A 1 13 ? -6.671  26.328 25.280 1.00 33.39 ? 11  GLU B CA    1 
ATOM   37  C C     . GLU A 1 13 ? -5.448  26.879 24.582 1.00 27.59 ? 11  GLU B C     1 
ATOM   38  O O     . GLU A 1 13 ? -5.529  27.942 24.013 1.00 28.91 ? 11  GLU B O     1 
ATOM   39  C CB    . GLU A 1 13 ? -6.736  26.708 26.776 1.00 33.24 ? 11  GLU B CB    1 
ATOM   40  C CG    . GLU A 1 13 ? -8.167  26.756 27.255 1.00 32.30 ? 11  GLU B CG    1 
ATOM   41  C CD    . GLU A 1 13 ? -8.396  27.011 28.738 1.00 41.21 ? 11  GLU B CD    1 
ATOM   42  O OE1   . GLU A 1 13 ? -7.511  27.512 29.449 1.00 42.85 ? 11  GLU B OE1   1 
ATOM   43  O OE2   . GLU A 1 13 ? -9.530  26.725 29.184 1.00 45.80 ? 11  GLU B OE2   1 
ATOM   44  N N     . MET A 1 14 ? -4.327  26.162 24.619 1.00 30.89 ? 12  MET B N     1 
ATOM   45  C CA    . MET A 1 14 ? -3.141  26.607 23.882 1.00 33.60 ? 12  MET B CA    1 
ATOM   46  C C     . MET A 1 14 ? -3.443  26.720 22.390 1.00 37.44 ? 12  MET B C     1 
ATOM   47  O O     . MET A 1 14 ? -3.034  27.693 21.718 1.00 31.40 ? 12  MET B O     1 
ATOM   48  C CB    . MET A 1 14 ? -1.963  25.643 24.125 1.00 33.79 ? 12  MET B CB    1 
ATOM   49  C CG    . MET A 1 14 ? -0.802  25.872 23.166 1.00 35.98 ? 12  MET B CG    1 
ATOM   50  S SD    . MET A 1 14 ? 0.560   24.755 23.535 1.00 45.83 ? 12  MET B SD    1 
ATOM   51  C CE    . MET A 1 14 ? 0.685   24.966 25.305 1.00 53.16 ? 12  MET B CE    1 
ATOM   52  N N     . ARG A 1 15 ? -4.150  25.723 21.864 1.00 30.39 ? 13  ARG B N     1 
ATOM   53  C CA    . ARG A 1 15 ? -4.456  25.703 20.430 1.00 31.05 ? 13  ARG B CA    1 
ATOM   54  C C     . ARG A 1 15 ? -5.409  26.855 20.011 1.00 28.93 ? 13  ARG B C     1 
ATOM   55  O O     . ARG A 1 15 ? -5.257  27.463 18.953 1.00 29.63 ? 13  ARG B O     1 
ATOM   56  C CB    . ARG A 1 15 ? -5.011  24.330 20.010 1.00 30.66 ? 13  ARG B CB    1 
ATOM   57  C CG    . ARG A 1 15 ? -3.888  23.225 19.867 1.00 33.20 ? 13  ARG B CG    1 
ATOM   58  C CD    . ARG A 1 15 ? -4.525  21.842 19.500 1.00 45.67 ? 13  ARG B CD    1 
ATOM   59  N NE    . ARG A 1 15 ? -5.065  21.861 18.133 1.00 46.72 ? 13  ARG B NE    1 
ATOM   60  C CZ    . ARG A 1 15 ? -6.184  21.252 17.701 1.00 44.61 ? 13  ARG B CZ    1 
ATOM   61  N NH1   . ARG A 1 15 ? -6.971  20.536 18.515 1.00 41.31 ? 13  ARG B NH1   1 
ATOM   62  N NH2   . ARG A 1 15 ? -6.510  21.378 16.420 1.00 42.51 ? 13  ARG B NH2   1 
ATOM   63  N N     . ILE A 1 16 ? -6.347  27.184 20.879 1.00 27.13 ? 14  ILE B N     1 
ATOM   64  C CA    . ILE A 1 16 ? -7.226  28.314 20.627 1.00 25.95 ? 14  ILE B CA    1 
ATOM   65  C C     . ILE A 1 16 ? -6.448  29.625 20.641 1.00 27.03 ? 14  ILE B C     1 
ATOM   66  O O     . ILE A 1 16 ? -6.605  30.468 19.744 1.00 26.88 ? 14  ILE B O     1 
ATOM   67  C CB    . ILE A 1 16 ? -8.341  28.388 21.684 1.00 24.34 ? 14  ILE B CB    1 
ATOM   68  C CG1   . ILE A 1 16 ? -9.289  27.195 21.441 1.00 23.80 ? 14  ILE B CG1   1 
ATOM   69  C CG2   . ILE A 1 16 ? -9.167  29.734 21.516 1.00 23.55 ? 14  ILE B CG2   1 
ATOM   70  C CD1   . ILE A 1 16 ? -10.354 26.906 22.579 1.00 22.70 ? 14  ILE B CD1   1 
ATOM   71  N N     . CYS A 1 17 ? -5.587  29.778 21.640 1.00 27.18 ? 15  CYS B N     1 
ATOM   72  C CA    . CYS A 1 17 ? -4.871  31.024 21.776 1.00 27.93 ? 15  CYS B CA    1 
ATOM   73  C C     . CYS A 1 17 ? -3.886  31.150 20.627 1.00 34.39 ? 15  CYS B C     1 
ATOM   74  O O     . CYS A 1 17 ? -3.589  32.247 20.147 1.00 34.16 ? 15  CYS B O     1 
ATOM   75  C CB    . CYS A 1 17 ? -4.122  31.080 23.101 1.00 28.62 ? 15  CYS B CB    1 
ATOM   76  S SG    . CYS A 1 17 ? -5.281  31.389 24.489 1.00 36.32 ? 15  CYS B SG    1 
ATOM   77  N N     . ASP A 1 18 ? -3.368  30.019 20.196 1.00 30.91 ? 16  ASP B N     1 
ATOM   78  C CA    . ASP A 1 18 ? -2.400  30.058 19.098 1.00 33.13 ? 16  ASP B CA    1 
ATOM   79  C C     . ASP A 1 18 ? -3.092  30.453 17.780 1.00 33.05 ? 16  ASP B C     1 
ATOM   80  O O     . ASP A 1 18 ? -2.544  31.176 16.958 1.00 34.52 ? 16  ASP B O     1 
ATOM   81  C CB    . ASP A 1 18 ? -1.738  28.701 18.980 1.00 34.71 ? 16  ASP B CB    1 
ATOM   82  C CG    . ASP A 1 18 ? -0.713  28.648 17.876 1.00 42.44 ? 16  ASP B CG    1 
ATOM   83  O OD1   . ASP A 1 18 ? 0.429   29.116 18.058 1.00 39.40 ? 16  ASP B OD1   1 
ATOM   84  O OD2   . ASP A 1 18 ? -1.083  28.112 16.818 1.00 42.55 ? 16  ASP B OD2   1 
ATOM   85  N N     . TYR A 1 19 ? -4.310  29.957 17.594 1.00 31.46 ? 17  TYR B N     1 
ATOM   86  C CA    . TYR A 1 19 ? -5.121  30.396 16.464 1.00 31.44 ? 17  TYR B CA    1 
ATOM   87  C C     . TYR A 1 19 ? -5.332  31.933 16.461 1.00 31.12 ? 17  TYR B C     1 
ATOM   88  O O     . TYR A 1 19 ? -5.104  32.634 15.429 1.00 32.60 ? 17  TYR B O     1 
ATOM   89  C CB    . TYR A 1 19 ? -6.464  29.622 16.432 1.00 29.96 ? 17  TYR B CB    1 
ATOM   90  C CG    . TYR A 1 19 ? -7.278  29.978 15.208 1.00 30.50 ? 17  TYR B CG    1 
ATOM   91  C CD1   . TYR A 1 19 ? -8.052  31.111 15.191 1.00 29.78 ? 17  TYR B CD1   1 
ATOM   92  C CD2   . TYR A 1 19 ? -7.198  29.225 14.054 1.00 35.93 ? 17  TYR B CD2   1 
ATOM   93  C CE1   . TYR A 1 19 ? -8.746  31.479 14.061 1.00 31.19 ? 17  TYR B CE1   1 
ATOM   94  C CE2   . TYR A 1 19 ? -7.940  29.586 12.912 1.00 34.15 ? 17  TYR B CE2   1 
ATOM   95  C CZ    . TYR A 1 19 ? -8.672  30.716 12.936 1.00 32.47 ? 17  TYR B CZ    1 
ATOM   96  O OH    . TYR A 1 19 ? -9.400  31.133 11.814 1.00 37.71 ? 17  TYR B OH    1 
ATOM   97  N N     . LEU A 1 20 ? -5.747  32.452 17.610 1.00 30.50 ? 18  LEU B N     1 
ATOM   98  C CA    . LEU A 1 20 ? -5.923  33.888 17.752 1.00 34.09 ? 18  LEU B CA    1 
ATOM   99  C C     . LEU A 1 20 ? -4.588  34.656 17.571 1.00 33.16 ? 18  LEU B C     1 
ATOM   100 O O     . LEU A 1 20 ? -4.577  35.730 16.990 1.00 38.02 ? 18  LEU B O     1 
ATOM   101 C CB    . LEU A 1 20 ? -6.564  34.227 19.080 1.00 32.83 ? 18  LEU B CB    1 
ATOM   102 C CG    . LEU A 1 20 ? -8.019  33.718 19.254 1.00 28.43 ? 18  LEU B CG    1 
ATOM   103 C CD1   . LEU A 1 20 ? -8.480  33.985 20.663 1.00 32.78 ? 18  LEU B CD1   1 
ATOM   104 C CD2   . LEU A 1 20 ? -9.034  34.303 18.253 1.00 29.05 ? 18  LEU B CD2   1 
ATOM   105 N N     . ARG A 1 21 ? -3.487  34.118 18.070 1.00 32.35 ? 19  ARG B N     1 
ATOM   106 C CA    . ARG A 1 21 ? -2.187  34.789 17.848 1.00 34.28 ? 19  ARG B CA    1 
ATOM   107 C C     . ARG A 1 21 ? -1.898  34.973 16.371 1.00 36.18 ? 19  ARG B C     1 
ATOM   108 O O     . ARG A 1 21 ? -1.436  36.039 15.945 1.00 44.25 ? 19  ARG B O     1 
ATOM   109 C CB    . ARG A 1 21 ? -1.023  34.033 18.493 1.00 35.56 ? 19  ARG B CB    1 
ATOM   110 C CG    . ARG A 1 21 ? 0.322   34.728 18.277 1.00 39.11 ? 19  ARG B CG    1 
ATOM   111 C CD    . ARG A 1 21 ? 1.393   33.882 18.898 1.00 41.12 ? 19  ARG B CD    1 
ATOM   112 N NE    . ARG A 1 21 ? 1.459   32.575 18.254 1.00 40.49 ? 19  ARG B NE    1 
ATOM   113 C CZ    . ARG A 1 21 ? 2.066   32.335 17.102 1.00 42.81 ? 19  ARG B CZ    1 
ATOM   114 N NH1   . ARG A 1 21 ? 2.699   33.323 16.446 1.00 44.69 ? 19  ARG B NH1   1 
ATOM   115 N NH2   . ARG A 1 21 ? 2.059   31.099 16.603 1.00 45.95 ? 19  ARG B NH2   1 
ATOM   116 N N     . ARG A 1 22 ? -2.157  33.932 15.581 1.00 36.56 ? 20  ARG B N     1 
ATOM   117 C CA    . ARG A 1 22 ? -1.860  33.981 14.147 1.00 38.86 ? 20  ARG B CA    1 
ATOM   118 C C     . ARG A 1 22 ? -2.917  34.710 13.332 1.00 43.05 ? 20  ARG B C     1 
ATOM   119 O O     . ARG A 1 22 ? -2.617  35.277 12.271 1.00 41.03 ? 20  ARG B O     1 
ATOM   120 C CB    . ARG A 1 22 ? -1.699  32.574 13.573 1.00 40.54 ? 20  ARG B CB    1 
ATOM   121 C CG    . ARG A 1 22 ? -0.621  31.732 14.264 1.00 48.67 ? 20  ARG B CG    1 
ATOM   122 C CD    . ARG A 1 22 ? -0.449  30.366 13.590 1.00 57.46 ? 20  ARG B CD    1 
ATOM   123 N NE    . ARG A 1 22 ? -1.727  29.811 13.123 1.00 65.77 ? 20  ARG B NE    1 
ATOM   124 C CZ    . ARG A 1 22 ? -2.484  28.970 13.828 1.00 67.97 ? 20  ARG B CZ    1 
ATOM   125 N NH1   . ARG A 1 22 ? -2.094  28.588 15.028 1.00 70.53 ? 20  ARG B NH1   1 
ATOM   126 N NH2   . ARG A 1 22 ? -3.633  28.509 13.343 1.00 65.53 ? 20  ARG B NH2   1 
ATOM   127 N N     . HIS A 1 23 ? -4.166  34.678 13.786 1.00 40.12 ? 21  HIS B N     1 
ATOM   128 C CA    . HIS A 1 23 ? -5.232  35.212 12.949 1.00 38.17 ? 21  HIS B CA    1 
ATOM   129 C C     . HIS A 1 23 ? -5.831  36.522 13.394 1.00 38.51 ? 21  HIS B C     1 
ATOM   130 O O     . HIS A 1 23 ? -6.568  37.119 12.623 1.00 38.89 ? 21  HIS B O     1 
ATOM   131 C CB    . HIS A 1 23 ? -6.382  34.234 12.809 1.00 43.00 ? 21  HIS B CB    1 
ATOM   132 C CG    . HIS A 1 23 ? -6.131  33.138 11.840 1.00 46.57 ? 21  HIS B CG    1 
ATOM   133 N ND1   . HIS A 1 23 ? -5.440  31.997 12.170 1.00 46.10 ? 21  HIS B ND1   1 
ATOM   134 C CD2   . HIS A 1 23 ? -6.525  32.987 10.556 1.00 53.30 ? 21  HIS B CD2   1 
ATOM   135 C CE1   . HIS A 1 23 ? -5.403  31.189 11.125 1.00 52.46 ? 21  HIS B CE1   1 
ATOM   136 N NE2   . HIS A 1 23 ? -6.050  31.768 10.132 1.00 57.29 ? 21  HIS B NE2   1 
ATOM   137 N N     . GLY A 1 24 ? -5.546  36.959 14.612 1.00 45.88 ? 22  GLY B N     1 
ATOM   138 C CA    . GLY A 1 24 ? -6.253  38.083 15.185 1.00 46.72 ? 22  GLY B CA    1 
ATOM   139 C C     . GLY A 1 24 ? -7.745  37.797 15.355 1.00 46.85 ? 22  GLY B C     1 
ATOM   140 O O     . GLY A 1 24 ? -8.166  36.636 15.512 1.00 40.72 ? 22  GLY B O     1 
ATOM   141 N N     . ARG A 1 25 ? -8.532  38.873 15.309 1.00 47.50 ? 23  ARG B N     1 
ATOM   142 C CA    . ARG A 1 25 ? -9.972  38.840 15.561 1.00 40.46 ? 23  ARG B CA    1 
ATOM   143 C C     . ARG A 1 25 ? -10.619 37.688 14.819 1.00 38.87 ? 23  ARG B C     1 
ATOM   144 O O     . ARG A 1 25 ? -10.493 37.599 13.603 1.00 44.30 ? 23  ARG B O     1 
ATOM   145 C CB    . ARG A 1 25 ? -10.609 40.184 15.134 1.00 44.18 ? 23  ARG B CB    1 
ATOM   146 C CG    . ARG A 1 25 ? -10.463 41.305 16.170 1.00 55.72 ? 23  ARG B CG    1 
ATOM   147 C CD    . ARG A 1 25 ? -10.707 42.705 15.626 1.00 64.55 ? 23  ARG B CD    1 
ATOM   148 N NE    . ARG A 1 25 ? -12.126 43.007 15.447 1.00 72.23 ? 23  ARG B NE    1 
ATOM   149 C CZ    . ARG A 1 25 ? -13.005 43.131 16.444 1.00 74.68 ? 23  ARG B CZ    1 
ATOM   150 N NH1   . ARG A 1 25 ? -12.629 42.973 17.718 1.00 74.67 ? 23  ARG B NH1   1 
ATOM   151 N NH2   . ARG A 1 25 ? -14.274 43.406 16.163 1.00 76.87 ? 23  ARG B NH2   1 
ATOM   152 N N     . SER A 1 26 ? -11.318 36.811 15.560 1.00 34.92 ? 24  SER B N     1 
ATOM   153 C CA    . SER A 1 26 ? -11.949 35.635 14.984 1.00 38.25 ? 24  SER B CA    1 
ATOM   154 C C     . SER A 1 26 ? -13.242 35.286 15.706 1.00 34.77 ? 24  SER B C     1 
ATOM   155 O O     . SER A 1 26 ? -13.410 35.604 16.909 1.00 33.32 ? 24  SER B O     1 
ATOM   156 C CB    . SER A 1 26 ? -11.002 34.452 15.113 1.00 37.66 ? 24  SER B CB    1 
ATOM   157 O OG    . SER A 1 26 ? -9.760  34.756 14.548 1.00 36.16 ? 24  SER B OG    1 
ATOM   158 N N     . THR A 1 27 ? -14.160 34.639 14.987 1.00 38.66 ? 25  THR B N     1 
ATOM   159 C CA    . THR A 1 27 ? -15.368 34.093 15.606 1.00 32.66 ? 25  THR B CA    1 
ATOM   160 C C     . THR A 1 27 ? -15.110 32.638 16.007 1.00 30.92 ? 25  THR B C     1 
ATOM   161 O O     . THR A 1 27 ? -14.115 32.013 15.581 1.00 31.66 ? 25  THR B O     1 
ATOM   162 C CB    . THR A 1 27 ? -16.557 34.111 14.628 1.00 31.61 ? 25  THR B CB    1 
ATOM   163 O OG1   . THR A 1 27 ? -16.232 33.249 13.528 1.00 32.05 ? 25  THR B OG1   1 
ATOM   164 C CG2   . THR A 1 27 ? -16.800 35.567 14.113 1.00 36.17 ? 25  THR B CG2   1 
ATOM   165 N N     . VAL A 1 28 ? -15.974 32.104 16.859 1.00 24.92 ? 26  VAL B N     1 
ATOM   166 C CA    . VAL A 1 28 ? -15.830 30.698 17.247 1.00 25.47 ? 26  VAL B CA    1 
ATOM   167 C C     . VAL A 1 28 ? -15.897 29.785 16.004 1.00 21.89 ? 26  VAL B C     1 
ATOM   168 O O     . VAL A 1 28 ? -15.280 28.717 15.958 1.00 23.18 ? 26  VAL B O     1 
ATOM   169 C CB    . VAL A 1 28 ? -16.877 30.268 18.317 1.00 18.54 ? 26  VAL B CB    1 
ATOM   170 C CG1   . VAL A 1 28 ? -18.377 30.408 17.804 1.00 19.95 ? 26  VAL B CG1   1 
ATOM   171 C CG2   . VAL A 1 28 ? -16.537 28.836 18.893 1.00 17.77 ? 26  VAL B CG2   1 
ATOM   172 N N     . GLN A 1 29 ? -16.665 30.196 15.006 1.00 24.34 ? 27  GLN B N     1 
ATOM   173 C CA    . GLN A 1 29 ? -16.823 29.364 13.840 1.00 30.39 ? 27  GLN B CA    1 
ATOM   174 C C     . GLN A 1 29 ? -15.480 29.205 13.092 1.00 38.38 ? 27  GLN B C     1 
ATOM   175 O O     . GLN A 1 29 ? -15.080 28.074 12.729 1.00 33.20 ? 27  GLN B O     1 
ATOM   176 C CB    . GLN A 1 29 ? -17.919 29.950 12.928 1.00 36.50 ? 27  GLN B CB    1 
ATOM   177 C CG    . GLN A 1 29 ? -19.375 29.725 13.461 1.00 28.42 ? 27  GLN B CG    1 
ATOM   178 C CD    . GLN A 1 29 ? -19.830 30.725 14.535 1.00 34.52 ? 27  GLN B CD    1 
ATOM   179 O OE1   . GLN A 1 29 ? -19.155 31.710 14.820 1.00 35.33 ? 27  GLN B OE1   1 
ATOM   180 N NE2   . GLN A 1 29 ? -21.010 30.487 15.115 1.00 36.37 ? 27  GLN B NE2   1 
ATOM   181 N N     . ASP A 1 30 ? -14.757 30.330 12.953 1.00 35.74 ? 28  ASP B N     1 
ATOM   182 C CA    . ASP A 1 30 ? -13.370 30.349 12.456 1.00 38.63 ? 28  ASP B CA    1 
ATOM   183 C C     . ASP A 1 30 ? -12.499 29.306 13.138 1.00 37.01 ? 28  ASP B C     1 
ATOM   184 O O     . ASP A 1 30 ? -11.793 28.522 12.501 1.00 38.61 ? 28  ASP B O     1 
ATOM   185 C CB    . ASP A 1 30 ? -12.735 31.744 12.672 1.00 37.46 ? 28  ASP B CB    1 
ATOM   186 C CG    . ASP A 1 30 ? -13.326 32.803 11.751 1.00 49.85 ? 28  ASP B CG    1 
ATOM   187 O OD1   . ASP A 1 30 ? -13.745 32.398 10.640 1.00 53.95 ? 28  ASP B OD1   1 
ATOM   188 O OD2   . ASP A 1 30 ? -13.393 34.012 12.132 1.00 48.30 ? 28  ASP B OD2   1 
ATOM   189 N N     . ILE A 1 31 ? -12.551 29.321 14.461 1.00 32.90 ? 29  ILE B N     1 
ATOM   190 C CA    . ILE A 1 31 ? -11.624 28.545 15.299 1.00 24.69 ? 29  ILE B CA    1 
ATOM   191 C C     . ILE A 1 31 ? -12.003 27.046 15.293 1.00 26.60 ? 29  ILE B C     1 
ATOM   192 O O     . ILE A 1 31 ? -11.156 26.175 15.034 1.00 29.02 ? 29  ILE B O     1 
ATOM   193 C CB    . ILE A 1 31 ? -11.678 29.044 16.737 1.00 22.09 ? 29  ILE B CB    1 
ATOM   194 C CG1   . ILE A 1 31 ? -11.270 30.515 16.806 1.00 25.14 ? 29  ILE B CG1   1 
ATOM   195 C CG2   . ILE A 1 31 ? -10.714 28.229 17.594 1.00 21.22 ? 29  ILE B CG2   1 
ATOM   196 C CD1   . ILE A 1 31 ? -11.691 31.206 18.157 1.00 26.33 ? 29  ILE B CD1   1 
ATOM   197 N N     . PHE A 1 32 ? -13.280 26.711 15.504 1.00 23.92 ? 30  PHE B N     1 
ATOM   198 C CA    . PHE A 1 32 ? -13.593 25.261 15.616 1.00 23.57 ? 30  PHE B CA    1 
ATOM   199 C C     . PHE A 1 32 ? -13.397 24.479 14.320 1.00 28.17 ? 30  PHE B C     1 
ATOM   200 O O     . PHE A 1 32 ? -13.088 23.287 14.339 1.00 27.61 ? 30  PHE B O     1 
ATOM   201 C CB    . PHE A 1 32 ? -15.000 24.999 16.299 1.00 19.37 ? 30  PHE B CB    1 
ATOM   202 C CG    . PHE A 1 32 ? -16.198 24.940 15.358 1.00 26.60 ? 30  PHE B CG    1 
ATOM   203 C CD1   . PHE A 1 32 ? -16.487 23.816 14.599 1.00 29.84 ? 30  PHE B CD1   1 
ATOM   204 C CD2   . PHE A 1 32 ? -17.083 26.001 15.303 1.00 24.28 ? 30  PHE B CD2   1 
ATOM   205 C CE1   . PHE A 1 32 ? -17.596 23.758 13.757 1.00 30.96 ? 30  PHE B CE1   1 
ATOM   206 C CE2   . PHE A 1 32 ? -18.183 25.968 14.450 1.00 23.04 ? 30  PHE B CE2   1 
ATOM   207 C CZ    . PHE A 1 32 ? -18.458 24.845 13.666 1.00 29.27 ? 30  PHE B CZ    1 
ATOM   208 N N     . LYS A 1 33 ? -13.609 25.112 13.174 1.00 30.51 ? 31  LYS B N     1 
ATOM   209 C CA    . LYS A 1 33 ? -13.430 24.369 11.943 1.00 32.32 ? 31  LYS B CA    1 
ATOM   210 C C     . LYS A 1 33 ? -11.950 24.101 11.692 1.00 42.03 ? 31  LYS B C     1 
ATOM   211 O O     . LYS A 1 33 ? -11.605 23.041 11.183 1.00 44.09 ? 31  LYS B O     1 
ATOM   212 C CB    . LYS A 1 33 ? -14.041 25.096 10.730 1.00 40.18 ? 31  LYS B CB    1 
ATOM   213 C CG    . LYS A 1 33 ? -15.536 25.328 10.864 1.00 43.02 ? 31  LYS B CG    1 
ATOM   214 C CD    . LYS A 1 33 ? -16.122 26.143 9.644  1.00 42.67 ? 31  LYS B CD    1 
ATOM   215 C CE    . LYS A 1 33 ? -17.559 26.531 9.957  1.00 43.90 ? 31  LYS B CE    1 
ATOM   216 N NZ    . LYS A 1 33 ? -18.174 27.303 8.824  1.00 51.81 ? 31  LYS B NZ    1 
ATOM   217 N N     . GLU A 1 34 ? -11.079 25.056 12.019 1.00 35.97 ? 32  GLU B N     1 
ATOM   218 C CA    . GLU A 1 34 ? -9.649  24.866 11.769 1.00 42.83 ? 32  GLU B CA    1 
ATOM   219 C C     . GLU A 1 34 ? -9.105  23.838 12.744 1.00 43.24 ? 32  GLU B C     1 
ATOM   220 O O     . GLU A 1 34 ? -8.358  22.948 12.360 1.00 48.25 ? 32  GLU B O     1 
ATOM   221 C CB    . GLU A 1 34 ? -8.888  26.181 11.903 1.00 44.00 ? 32  GLU B CB    1 
ATOM   222 C CG    . GLU A 1 34 ? -7.354  26.038 11.913 1.00 54.35 ? 32  GLU B CG    1 
ATOM   223 C CD    . GLU A 1 34 ? -6.697  26.838 10.821 1.00 67.12 ? 32  GLU B CD    1 
ATOM   224 O OE1   . GLU A 1 34 ? -7.416  27.283 9.889  1.00 69.94 ? 32  GLU B OE1   1 
ATOM   225 O OE2   . GLU A 1 34 ? -5.454  27.018 10.883 1.00 78.18 ? 32  GLU B OE2   1 
ATOM   226 N N     . LEU A 1 35 ? -9.522  23.935 13.997 1.00 36.08 ? 33  LEU B N     1 
ATOM   227 C CA    . LEU A 1 35 ? -9.008  23.065 15.053 1.00 35.87 ? 33  LEU B CA    1 
ATOM   228 C C     . LEU A 1 35 ? -9.683  21.689 15.079 1.00 39.06 ? 33  LEU B C     1 
ATOM   229 O O     . LEU A 1 35 ? -9.255  20.794 15.814 1.00 40.41 ? 33  LEU B O     1 
ATOM   230 C CB    . LEU A 1 35 ? -9.161  23.746 16.416 1.00 32.62 ? 33  LEU B CB    1 
ATOM   231 C CG    . LEU A 1 35 ? -8.430  25.083 16.586 1.00 36.67 ? 33  LEU B CG    1 
ATOM   232 C CD1   . LEU A 1 35 ? -8.548  25.532 18.025 1.00 31.60 ? 33  LEU B CD1   1 
ATOM   233 C CD2   . LEU A 1 35 ? -6.965  24.985 16.140 1.00 45.00 ? 33  LEU B CD2   1 
ATOM   234 N N     . LYS A 1 36 ? -10.763 21.539 14.306 1.00 38.11 ? 34  LYS B N     1 
ATOM   235 C CA    . LYS A 1 36 ? -11.571 20.323 14.326 1.00 36.36 ? 34  LYS B CA    1 
ATOM   236 C C     . LYS A 1 36 ? -12.014 19.940 15.728 1.00 37.37 ? 34  LYS B C     1 
ATOM   237 O O     . LYS A 1 36 ? -11.784 18.822 16.162 1.00 39.62 ? 34  LYS B O     1 
ATOM   238 C CB    . LYS A 1 36 ? -10.848 19.164 13.598 1.00 36.88 ? 34  LYS B CB    1 
ATOM   239 C CG    . LYS A 1 36 ? -10.412 19.502 12.192 1.00 42.83 ? 34  LYS B CG    1 
ATOM   240 C CD    . LYS A 1 36 ? -9.645  18.330 11.574 1.00 52.15 ? 34  LYS B CD    1 
ATOM   241 C CE    . LYS A 1 36 ? -8.489  18.759 10.662 1.00 60.43 ? 34  LYS B CE    1 
ATOM   242 N NZ    . LYS A 1 36 ? -7.916  17.572 9.944  1.00 67.00 ? 34  LYS B NZ    1 
ATOM   243 N N     . LEU A 1 37 ? -12.636 20.887 16.442 1.00 29.30 ? 35  LEU B N     1 
ATOM   244 C CA    . LEU A 1 37 ? -13.225 20.651 17.759 1.00 26.10 ? 35  LEU B CA    1 
ATOM   245 C C     . LEU A 1 37 ? -14.741 21.004 17.670 1.00 24.14 ? 35  LEU B C     1 
ATOM   246 O O     . LEU A 1 37 ? -15.180 21.609 16.694 1.00 28.75 ? 35  LEU B O     1 
ATOM   247 C CB    . LEU A 1 37 ? -12.588 21.550 18.807 1.00 24.06 ? 35  LEU B CB    1 
ATOM   248 C CG    . LEU A 1 37 ? -11.055 21.320 18.930 1.00 31.42 ? 35  LEU B CG    1 
ATOM   249 C CD1   . LEU A 1 37 ? -10.482 22.557 19.668 1.00 26.41 ? 35  LEU B CD1   1 
ATOM   250 C CD2   . LEU A 1 37 ? -10.788 20.020 19.682 1.00 33.70 ? 35  LEU B CD2   1 
ATOM   251 N N     . GLU A 1 38 ? -15.542 20.614 18.662 1.00 26.61 ? 36  GLU B N     1 
ATOM   252 C CA    . GLU A 1 38 ? -16.945 21.064 18.669 1.00 26.50 ? 36  GLU B CA    1 
ATOM   253 C C     . GLU A 1 38 ? -16.939 22.561 18.951 1.00 21.78 ? 36  GLU B C     1 
ATOM   254 O O     . GLU A 1 38 ? -16.159 23.035 19.760 1.00 21.37 ? 36  GLU B O     1 
ATOM   255 C CB    . GLU A 1 38 ? -17.749 20.339 19.791 1.00 25.89 ? 36  GLU B CB    1 
ATOM   256 C CG    . GLU A 1 38 ? -17.935 18.813 19.562 1.00 41.70 ? 36  GLU B CG    1 
ATOM   257 C CD    . GLU A 1 38 ? -19.131 18.485 18.635 1.00 49.72 ? 36  GLU B CD    1 
ATOM   258 O OE1   . GLU A 1 38 ? -20.037 19.329 18.448 1.00 51.67 ? 36  GLU B OE1   1 
ATOM   259 O OE2   . GLU A 1 38 ? -19.167 17.377 18.076 1.00 58.11 ? 36  GLU B OE2   1 
ATOM   260 N N     . LYS A 1 39 ? -17.890 23.258 18.384 1.00 17.58 ? 37  LYS B N     1 
ATOM   261 C CA    . LYS A 1 39 ? -18.115 24.692 18.646 1.00 18.38 ? 37  LYS B CA    1 
ATOM   262 C C     . LYS A 1 39 ? -18.327 24.909 20.135 1.00 18.95 ? 37  LYS B C     1 
ATOM   263 O O     . LYS A 1 39 ? -17.715 25.809 20.708 1.00 18.70 ? 37  LYS B O     1 
ATOM   264 C CB    . LYS A 1 39 ? -19.324 25.199 17.875 1.00 17.79 ? 37  LYS B CB    1 
ATOM   265 C CG    . LYS A 1 39 ? -19.650 26.702 18.104 1.00 21.93 ? 37  LYS B CG    1 
ATOM   266 C CD    . LYS A 1 39 ? -20.825 27.221 17.259 1.00 21.38 ? 37  LYS B CD    1 
ATOM   267 C CE    . LYS A 1 39 ? -22.210 26.845 17.767 1.00 32.70 ? 37  LYS B CE    1 
ATOM   268 N NZ    . LYS A 1 39 ? -22.640 27.811 18.876 1.00 34.70 ? 37  LYS B NZ    1 
ATOM   269 N N     . SER A 1 40 ? -19.125 24.062 20.782 1.00 18.75 ? 38  SER B N     1 
ATOM   270 C CA    A SER A 1 40 ? -19.400 24.280 22.196 0.56 18.98 ? 38  SER B CA    1 
ATOM   271 C CA    B SER A 1 40 ? -19.382 24.218 22.221 0.44 19.61 ? 38  SER B CA    1 
ATOM   272 C C     . SER A 1 40 ? -18.102 24.130 23.029 1.00 18.66 ? 38  SER B C     1 
ATOM   273 O O     . SER A 1 40 ? -17.910 24.849 24.052 1.00 18.44 ? 38  SER B O     1 
ATOM   274 C CB    A SER A 1 40 ? -20.461 23.289 22.667 0.56 21.73 ? 38  SER B CB    1 
ATOM   275 C CB    B SER A 1 40 ? -20.301 23.112 22.743 0.44 22.45 ? 38  SER B CB    1 
ATOM   276 O OG    A SER A 1 40 ? -19.928 21.990 22.496 0.56 21.25 ? 38  SER B OG    1 
ATOM   277 O OG    B SER A 1 40 ? -21.600 23.280 22.274 0.44 20.62 ? 38  SER B OG    1 
ATOM   278 N N     . THR A 1 41 ? -17.206 23.205 22.640 1.00 19.44 ? 39  THR B N     1 
ATOM   279 C CA    . THR A 1 41 ? -15.951 23.067 23.378 1.00 17.66 ? 39  THR B CA    1 
ATOM   280 C C     . THR A 1 41 ? -15.092 24.309 23.195 1.00 18.73 ? 39  THR B C     1 
ATOM   281 O O     . THR A 1 41 ? -14.450 24.786 24.123 1.00 20.55 ? 39  THR B O     1 
ATOM   282 C CB    . THR A 1 41 ? -15.177 21.861 22.839 1.00 23.56 ? 39  THR B CB    1 
ATOM   283 O OG1   . THR A 1 41 ? -16.001 20.689 23.039 1.00 24.79 ? 39  THR B OG1   1 
ATOM   284 C CG2   . THR A 1 41 ? -13.807 21.733 23.516 1.00 26.42 ? 39  THR B CG2   1 
ATOM   285 N N     . VAL A 1 42 ? -15.015 24.829 21.972 1.00 14.90 ? 40  VAL B N     1 
ATOM   286 C CA    . VAL A 1 42 ? -14.221 26.031 21.810 1.00 16.62 ? 40  VAL B CA    1 
ATOM   287 C C     . VAL A 1 42 ? -14.873 27.205 22.588 1.00 20.81 ? 40  VAL B C     1 
ATOM   288 O O     . VAL A 1 42 ? -14.171 27.986 23.255 1.00 17.93 ? 40  VAL B O     1 
ATOM   289 C CB    . VAL A 1 42 ? -14.057 26.370 20.311 1.00 18.86 ? 40  VAL B CB    1 
ATOM   290 C CG1   . VAL A 1 42 ? -13.325 27.693 20.125 1.00 17.20 ? 40  VAL B CG1   1 
ATOM   291 C CG2   . VAL A 1 42 ? -13.303 25.217 19.587 1.00 17.77 ? 40  VAL B CG2   1 
ATOM   292 N N     . ASN A 1 43 ? -16.190 27.346 22.503 1.00 15.96 ? 41  ASN B N     1 
ATOM   293 C CA    . ASN A 1 43 ? -16.805 28.438 23.263 1.00 17.52 ? 41  ASN B CA    1 
ATOM   294 C C     . ASN A 1 43 ? -16.589 28.280 24.773 1.00 20.39 ? 41  ASN B C     1 
ATOM   295 O O     . ASN A 1 43 ? -16.378 29.294 25.450 1.00 19.78 ? 41  ASN B O     1 
ATOM   296 C CB    . ASN A 1 43 ? -18.330 28.607 22.977 1.00 17.55 ? 41  ASN B CB    1 
ATOM   297 C CG    . ASN A 1 43 ? -18.618 29.697 21.978 1.00 21.84 ? 41  ASN B CG    1 
ATOM   298 O OD1   . ASN A 1 43 ? -17.871 30.664 21.846 1.00 19.90 ? 41  ASN B OD1   1 
ATOM   299 N ND2   . ASN A 1 43 ? -19.767 29.560 21.262 1.00 18.85 ? 41  ASN B ND2   1 
ATOM   300 N N     . ARG A 1 44 ? -16.706 27.061 25.319 1.00 17.65 ? 42  ARG B N     1 
ATOM   301 C CA    . ARG A 1 44 ? -16.496 26.867 26.774 1.00 21.35 ? 42  ARG B CA    1 
ATOM   302 C C     . ARG A 1 44 ? -15.121 27.452 27.128 1.00 24.46 ? 42  ARG B C     1 
ATOM   303 O O     . ARG A 1 44 ? -14.968 28.218 28.117 1.00 21.18 ? 42  ARG B O     1 
ATOM   304 C CB    . ARG A 1 44 ? -16.548 25.347 27.149 1.00 17.87 ? 42  ARG B CB    1 
ATOM   305 C CG    . ARG A 1 44 ? -16.074 24.930 28.568 1.00 23.12 ? 42  ARG B CG    1 
ATOM   306 C CD    . ARG A 1 44 ? -16.173 23.379 28.715 1.00 29.80 ? 42  ARG B CD    1 
ATOM   307 N NE    . ARG A 1 44 ? -17.426 22.946 28.109 1.00 38.89 ? 42  ARG B NE    1 
ATOM   308 C CZ    . ARG A 1 44 ? -17.548 22.018 27.159 1.00 41.98 ? 42  ARG B CZ    1 
ATOM   309 N NH1   . ARG A 1 44 ? -16.502 21.324 26.755 1.00 36.70 ? 42  ARG B NH1   1 
ATOM   310 N NH2   . ARG A 1 44 ? -18.738 21.765 26.634 1.00 42.69 ? 42  ARG B NH2   1 
ATOM   311 N N     . HIS A 1 45 ? -14.126 27.080 26.328 1.00 20.10 ? 43  HIS B N     1 
ATOM   312 C CA    . HIS A 1 45 ? -12.762 27.556 26.623 1.00 21.89 ? 43  HIS B CA    1 
ATOM   313 C C     . HIS A 1 45 ? -12.554 29.041 26.364 1.00 22.81 ? 43  HIS B C     1 
ATOM   314 O O     . HIS A 1 45 ? -11.785 29.663 27.092 1.00 22.42 ? 43  HIS B O     1 
ATOM   315 C CB    . HIS A 1 45 ? -11.719 26.666 25.917 1.00 22.76 ? 43  HIS B CB    1 
ATOM   316 C CG    . HIS A 1 45 ? -11.626 25.308 26.543 1.00 26.04 ? 43  HIS B CG    1 
ATOM   317 N ND1   . HIS A 1 45 ? -11.019 25.095 27.771 1.00 29.54 ? 43  HIS B ND1   1 
ATOM   318 C CD2   . HIS A 1 45 ? -12.127 24.113 26.159 1.00 33.89 ? 43  HIS B CD2   1 
ATOM   319 C CE1   . HIS A 1 45 ? -11.111 23.814 28.085 1.00 35.60 ? 43  HIS B CE1   1 
ATOM   320 N NE2   . HIS A 1 45 ? -11.773 23.194 27.121 1.00 38.49 ? 43  HIS B NE2   1 
ATOM   321 N N     . LEU A 1 46 ? -13.207 29.616 25.340 1.00 17.63 ? 44  LEU B N     1 
ATOM   322 C CA    . LEU A 1 46 ? -13.071 31.059 25.112 1.00 19.06 ? 44  LEU B CA    1 
ATOM   323 C C     . LEU A 1 46 ? -13.614 31.844 26.306 1.00 26.07 ? 44  LEU B C     1 
ATOM   324 O O     . LEU A 1 46 ? -12.969 32.804 26.792 1.00 25.25 ? 44  LEU B O     1 
ATOM   325 C CB    . LEU A 1 46 ? -13.869 31.464 23.856 1.00 18.16 ? 44  LEU B CB    1 
ATOM   326 C CG    . LEU A 1 46 ? -13.096 31.154 22.564 1.00 19.28 ? 44  LEU B CG    1 
ATOM   327 C CD1   . LEU A 1 46 ? -14.069 31.312 21.353 1.00 21.85 ? 44  LEU B CD1   1 
ATOM   328 C CD2   . LEU A 1 46 ? -11.913 32.071 22.358 1.00 23.79 ? 44  LEU B CD2   1 
ATOM   329 N N     . TYR A 1 47 ? -14.791 31.429 26.789 1.00 22.04 ? 45  TYR B N     1 
ATOM   330 C CA    . TYR A 1 47 ? -15.412 32.128 27.942 1.00 22.49 ? 45  TYR B CA    1 
ATOM   331 C C     . TYR A 1 47 ? -14.537 31.967 29.177 1.00 27.18 ? 45  TYR B C     1 
ATOM   332 O O     . TYR A 1 47 ? -14.304 32.934 29.937 1.00 29.92 ? 45  TYR B O     1 
ATOM   333 C CB    . TYR A 1 47 ? -16.881 31.699 28.191 1.00 22.45 ? 45  TYR B CB    1 
ATOM   334 C CG    . TYR A 1 47 ? -17.797 32.435 27.224 1.00 22.79 ? 45  TYR B CG    1 
ATOM   335 C CD1   . TYR A 1 47 ? -18.098 31.894 25.957 1.00 21.32 ? 45  TYR B CD1   1 
ATOM   336 C CD2   . TYR A 1 47 ? -18.232 33.744 27.513 1.00 26.97 ? 45  TYR B CD2   1 
ATOM   337 C CE1   . TYR A 1 47 ? -18.889 32.607 25.040 1.00 16.98 ? 45  TYR B CE1   1 
ATOM   338 C CE2   . TYR A 1 47 ? -19.031 34.462 26.618 1.00 27.69 ? 45  TYR B CE2   1 
ATOM   339 C CZ    . TYR A 1 47 ? -19.338 33.917 25.369 1.00 19.70 ? 45  TYR B CZ    1 
ATOM   340 O OH    . TYR A 1 47 ? -20.161 34.637 24.500 1.00 27.25 ? 45  TYR B OH    1 
ATOM   341 N N     . SER A 1 48 ? -14.021 30.764 29.385 1.00 23.64 ? 46  SER B N     1 
ATOM   342 C CA    . SER A 1 48 ? -13.033 30.548 30.475 1.00 27.64 ? 46  SER B CA    1 
ATOM   343 C C     . SER A 1 48 ? -11.750 31.387 30.356 1.00 30.67 ? 46  SER B C     1 
ATOM   344 O O     . SER A 1 48 ? -11.228 31.909 31.368 1.00 30.41 ? 46  SER B O     1 
ATOM   345 C CB    . SER A 1 48 ? -12.649 29.069 30.572 1.00 26.54 ? 46  SER B CB    1 
ATOM   346 O OG    . SER A 1 48 ? -11.580 28.937 31.497 1.00 39.27 ? 46  SER B OG    1 
ATOM   347 N N     . LEU A 1 49 ? -11.209 31.476 29.145 1.00 29.02 ? 47  LEU B N     1 
ATOM   348 C CA    . LEU A 1 49 ? -10.025 32.312 28.923 1.00 26.05 ? 47  LEU B CA    1 
ATOM   349 C C     . LEU A 1 49 ? -10.348 33.795 29.075 1.00 29.83 ? 47  LEU B C     1 
ATOM   350 O O     . LEU A 1 49 ? -9.481  34.593 29.407 1.00 34.01 ? 47  LEU B O     1 
ATOM   351 C CB    . LEU A 1 49 ? -9.449  32.085 27.532 1.00 25.82 ? 47  LEU B CB    1 
ATOM   352 C CG    . LEU A 1 49 ? -8.780  30.758 27.296 1.00 25.74 ? 47  LEU B CG    1 
ATOM   353 C CD1   . LEU A 1 49 ? -8.726  30.370 25.809 1.00 24.64 ? 47  LEU B CD1   1 
ATOM   354 C CD2   . LEU A 1 49 ? -7.374  30.843 27.918 1.00 30.06 ? 47  LEU B CD2   1 
ATOM   355 N N     . GLN A 1 50 ? -11.573 34.179 28.760 1.00 28.98 ? 48  GLN B N     1 
ATOM   356 C CA    . GLN A 1 50 ? -11.962 35.564 28.940 1.00 32.60 ? 48  GLN B CA    1 
ATOM   357 C C     . GLN A 1 50 ? -11.976 35.884 30.460 1.00 36.96 ? 48  GLN B C     1 
ATOM   358 O O     . GLN A 1 50 ? -11.551 36.981 30.929 1.00 42.11 ? 48  GLN B O     1 
ATOM   359 C CB    . GLN A 1 50 ? -13.338 35.780 28.303 1.00 32.56 ? 48  GLN B CB    1 
ATOM   360 C CG    . GLN A 1 50 ? -14.029 37.072 28.712 1.00 40.45 ? 48  GLN B CG    1 
ATOM   361 C CD    . GLN A 1 50 ? -15.531 37.041 28.440 1.00 44.22 ? 48  GLN B CD    1 
ATOM   362 O OE1   . GLN A 1 50 ? -16.003 37.775 27.587 1.00 49.47 ? 48  GLN B OE1   1 
ATOM   363 N NE2   . GLN A 1 50 ? -16.288 36.199 29.183 1.00 39.36 ? 48  GLN B NE2   1 
ATOM   364 N N     . ALA A 1 51 ? -12.445 34.913 31.242 1.00 34.94 ? 49  ALA B N     1 
ATOM   365 C CA    . ALA A 1 51 ? -12.594 35.127 32.680 1.00 39.89 ? 49  ALA B CA    1 
ATOM   366 C C     . ALA A 1 51 ? -11.206 35.266 33.250 1.00 39.75 ? 49  ALA B C     1 
ATOM   367 O O     . ALA A 1 51 ? -11.020 35.981 34.224 1.00 47.16 ? 49  ALA B O     1 
ATOM   368 C CB    . ALA A 1 51 ? -13.347 33.979 33.346 1.00 42.63 ? 49  ALA B CB    1 
ATOM   369 N N     . SER A 1 52 ? -10.228 34.622 32.618 1.00 43.87 ? 50  SER B N     1 
ATOM   370 C CA    . SER A 1 52 ? -8.840  34.652 33.101 1.00 43.01 ? 50  SER B CA    1 
ATOM   371 C C     . SER A 1 52 ? -7.966  35.704 32.427 1.00 43.31 ? 50  SER B C     1 
ATOM   372 O O     . SER A 1 52 ? -6.733  35.664 32.525 1.00 44.05 ? 50  SER B O     1 
ATOM   373 C CB    . SER A 1 52 ? -8.197  33.271 33.056 1.00 43.78 ? 50  SER B CB    1 
ATOM   374 O OG    . SER A 1 52 ? -7.996  32.832 31.718 1.00 47.96 ? 50  SER B OG    1 
ATOM   375 N N     . LYS A 1 53 ? -8.626  36.661 31.790 1.00 43.39 ? 51  LYS B N     1 
ATOM   376 C CA    . LYS A 1 53 ? -8.010  37.813 31.140 1.00 47.92 ? 51  LYS B CA    1 
ATOM   377 C C     . LYS A 1 53 ? -6.974  37.466 30.098 1.00 45.65 ? 51  LYS B C     1 
ATOM   378 O O     . LYS A 1 53 ? -6.048  38.243 29.864 1.00 45.39 ? 51  LYS B O     1 
ATOM   379 C CB    . LYS A 1 53 ? -7.386  38.779 32.169 1.00 52.03 ? 51  LYS B CB    1 
ATOM   380 C CG    . LYS A 1 53 ? -8.375  39.455 33.094 1.00 57.07 ? 51  LYS B CG    1 
ATOM   381 C CD    . LYS A 1 53 ? -9.356  40.406 32.377 1.00 61.34 ? 51  LYS B CD    1 
ATOM   382 C CE    . LYS A 1 53 ? -10.074 41.335 33.378 1.00 68.06 ? 51  LYS B CE    1 
ATOM   383 N NZ    . LYS A 1 53 ? -11.472 41.722 32.922 1.00 69.31 ? 51  LYS B NZ    1 
ATOM   384 N N     . GLN A 1 54 ? -7.130  36.316 29.445 1.00 40.13 ? 52  GLN B N     1 
ATOM   385 C CA    . GLN A 1 54 ? -6.228  35.932 28.367 1.00 40.87 ? 52  GLN B CA    1 
ATOM   386 C C     . GLN A 1 54 ? -6.763  36.278 26.951 1.00 38.18 ? 52  GLN B C     1 
ATOM   387 O O     . GLN A 1 54 ? -5.990  36.485 26.044 1.00 38.99 ? 52  GLN B O     1 
ATOM   388 C CB    . GLN A 1 54 ? -5.892  34.445 28.478 1.00 40.99 ? 52  GLN B CB    1 
ATOM   389 C CG    . GLN A 1 54 ? -4.983  34.135 29.654 1.00 55.80 ? 52  GLN B CG    1 
ATOM   390 C CD    . GLN A 1 54 ? -4.825  32.643 29.894 1.00 62.80 ? 52  GLN B CD    1 
ATOM   391 O OE1   . GLN A 1 54 ? -5.511  32.071 30.751 1.00 68.05 ? 52  GLN B OE1   1 
ATOM   392 N NE2   . GLN A 1 54 ? -3.917  31.999 29.143 1.00 60.87 ? 52  GLN B NE2   1 
ATOM   393 N N     . VAL A 1 55 ? -8.083  36.339 26.776 1.00 37.71 ? 53  VAL B N     1 
ATOM   394 C CA    . VAL A 1 55 ? -8.689  36.773 25.526 1.00 36.98 ? 53  VAL B CA    1 
ATOM   395 C C     . VAL A 1 55 ? -9.841  37.717 25.871 1.00 38.02 ? 53  VAL B C     1 
ATOM   396 O O     . VAL A 1 55 ? -10.293 37.787 27.023 1.00 38.66 ? 53  VAL B O     1 
ATOM   397 C CB    . VAL A 1 55 ? -9.302  35.584 24.692 1.00 34.93 ? 53  VAL B CB    1 
ATOM   398 C CG1   . VAL A 1 55 ? -8.232  34.466 24.445 1.00 34.16 ? 53  VAL B CG1   1 
ATOM   399 C CG2   . VAL A 1 55 ? -10.539 35.035 25.405 1.00 34.21 ? 53  VAL B CG2   1 
ATOM   400 N N     . PHE A 1 56 ? -10.355 38.419 24.881 1.00 38.65 ? 54  PHE B N     1 
ATOM   401 C CA    . PHE A 1 56 ? -11.554 39.238 25.146 1.00 39.74 ? 54  PHE B CA    1 
ATOM   402 C C     . PHE A 1 56 ? -12.459 39.212 23.960 1.00 41.35 ? 54  PHE B C     1 
ATOM   403 O O     . PHE A 1 56 ? -12.043 38.921 22.844 1.00 40.92 ? 54  PHE B O     1 
ATOM   404 C CB    . PHE A 1 56 ? -11.202 40.687 25.499 1.00 50.88 ? 54  PHE B CB    1 
ATOM   405 C CG    . PHE A 1 56 ? -10.543 41.443 24.375 1.00 48.77 ? 54  PHE B CG    1 
ATOM   406 C CD1   . PHE A 1 56 ? -9.241  41.200 24.046 1.00 46.13 ? 54  PHE B CD1   1 
ATOM   407 C CD2   . PHE A 1 56 ? -11.256 42.373 23.631 1.00 49.81 ? 54  PHE B CD2   1 
ATOM   408 C CE1   . PHE A 1 56 ? -8.612  41.898 23.018 1.00 50.26 ? 54  PHE B CE1   1 
ATOM   409 C CE2   . PHE A 1 56 ? -10.654 43.064 22.598 1.00 52.81 ? 54  PHE B CE2   1 
ATOM   410 C CZ    . PHE A 1 56 ? -9.319  42.828 22.296 1.00 54.56 ? 54  PHE B CZ    1 
ATOM   411 N N     . LYS A 1 57 ? -13.737 39.456 24.203 1.00 44.77 ? 55  LYS B N     1 
ATOM   412 C CA    . LYS A 1 57 ? -14.643 39.500 23.086 1.00 46.54 ? 55  LYS B CA    1 
ATOM   413 C C     . LYS A 1 57 ? -15.238 40.887 23.000 1.00 50.48 ? 55  LYS B C     1 
ATOM   414 O O     . LYS A 1 57 ? -15.311 41.607 24.000 1.00 51.96 ? 55  LYS B O     1 
ATOM   415 C CB    . LYS A 1 57 ? -15.742 38.450 23.215 1.00 50.24 ? 55  LYS B CB    1 
ATOM   416 C CG    . LYS A 1 57 ? -16.918 38.865 24.039 1.00 54.75 ? 55  LYS B CG    1 
ATOM   417 C CD    . LYS A 1 57 ? -17.922 37.749 24.153 1.00 53.80 ? 55  LYS B CD    1 
ATOM   418 C CE    . LYS A 1 57 ? -19.049 38.164 25.092 1.00 60.80 ? 55  LYS B CE    1 
ATOM   419 N NZ    . LYS A 1 57 ? -18.492 38.569 26.426 1.00 61.47 ? 55  LYS B NZ    1 
ATOM   420 N N     . THR A 1 58 ? -15.634 41.243 21.785 1.00 49.55 ? 56  THR B N     1 
ATOM   421 C CA    . THR A 1 58 ? -16.423 42.423 21.511 1.00 50.09 ? 56  THR B CA    1 
ATOM   422 C C     . THR A 1 58 ? -17.680 41.940 20.833 1.00 51.69 ? 56  THR B C     1 
ATOM   423 O O     . THR A 1 58 ? -17.668 40.973 20.056 1.00 48.75 ? 56  THR B O     1 
ATOM   424 C CB    . THR A 1 58 ? -15.717 43.350 20.549 1.00 49.60 ? 56  THR B CB    1 
ATOM   425 O OG1   . THR A 1 58 ? -15.594 42.679 19.291 1.00 50.50 ? 56  THR B OG1   1 
ATOM   426 C CG2   . THR A 1 58 ? -14.324 43.688 21.075 1.00 51.26 ? 56  THR B CG2   1 
ATOM   427 N N     . VAL A 1 59 ? -18.777 42.601 21.168 1.00 56.47 ? 57  VAL B N     1 
ATOM   428 C CA    . VAL A 1 59 ? -20.087 42.183 20.710 1.00 57.44 ? 57  VAL B CA    1 
ATOM   429 C C     . VAL A 1 59 ? -20.863 43.406 20.230 1.00 51.93 ? 57  VAL B C     1 
ATOM   430 O O     . VAL A 1 59 ? -20.715 44.525 20.735 1.00 58.27 ? 57  VAL B O     1 
ATOM   431 C CB    . VAL A 1 59 ? -20.881 41.484 21.825 1.00 55.39 ? 57  VAL B CB    1 
ATOM   432 C CG1   . VAL A 1 59 ? -20.146 40.282 22.334 1.00 53.06 ? 57  VAL B CG1   1 
ATOM   433 C CG2   . VAL A 1 59 ? -21.136 42.467 22.970 1.00 64.46 ? 57  VAL B CG2   1 
ATOM   434 N N     . GLU A 1 60 ? -21.700 43.176 19.238 1.00 52.36 ? 58  GLU B N     1 
ATOM   435 C CA    . GLU A 1 60 ? -22.530 44.213 18.674 1.00 60.51 ? 58  GLU B CA    1 
ATOM   436 C C     . GLU A 1 60 ? -23.864 43.557 18.342 1.00 60.53 ? 58  GLU B C     1 
ATOM   437 O O     . GLU A 1 60 ? -23.902 42.574 17.599 1.00 53.64 ? 58  GLU B O     1 
ATOM   438 C CB    . GLU A 1 60 ? -21.814 44.762 17.444 1.00 63.06 ? 58  GLU B CB    1 
ATOM   439 C CG    . GLU A 1 60 ? -22.629 45.566 16.489 1.00 68.15 ? 58  GLU B CG    1 
ATOM   440 C CD    . GLU A 1 60 ? -21.749 46.076 15.370 1.00 73.98 ? 58  GLU B CD    1 
ATOM   441 O OE1   . GLU A 1 60 ? -20.547 45.680 15.370 1.00 71.88 ? 58  GLU B OE1   1 
ATOM   442 O OE2   . GLU A 1 60 ? -22.243 46.862 14.518 1.00 78.15 ? 58  GLU B OE2   1 
ATOM   443 N N     . ASP A 1 61 ? -24.943 44.052 18.948 1.00 63.30 ? 59  ASP B N     1 
ATOM   444 C CA    . ASP A 1 61 ? -26.269 43.485 18.736 1.00 66.02 ? 59  ASP B CA    1 
ATOM   445 C C     . ASP A 1 61 ? -26.316 41.950 18.886 1.00 70.69 ? 59  ASP B C     1 
ATOM   446 O O     . ASP A 1 61 ? -25.797 41.393 19.872 1.00 66.48 ? 59  ASP B O     1 
ATOM   447 C CB    . ASP A 1 61 ? -26.775 43.933 17.374 1.00 69.95 ? 59  ASP B CB    1 
ATOM   448 C CG    . ASP A 1 61 ? -26.752 45.461 17.224 1.00 79.76 ? 59  ASP B CG    1 
ATOM   449 O OD1   . ASP A 1 61 ? -27.677 46.130 17.735 1.00 85.32 ? 59  ASP B OD1   1 
ATOM   450 O OD2   . ASP A 1 61 ? -25.806 45.993 16.600 1.00 82.05 ? 59  ASP B OD2   1 
ATOM   451 N N     . ASN A 1 62 ? -26.919 41.260 17.913 1.00 75.37 ? 60  ASN B N     1 
ATOM   452 C CA    . ASN A 1 62 ? -26.951 39.782 17.938 1.00 68.28 ? 60  ASN B CA    1 
ATOM   453 C C     . ASN A 1 62 ? -25.834 39.121 17.123 1.00 67.19 ? 60  ASN B C     1 
ATOM   454 O O     . ASN A 1 62 ? -25.901 37.912 16.815 1.00 60.40 ? 60  ASN B O     1 
ATOM   455 C CB    . ASN A 1 62 ? -28.327 39.232 17.514 1.00 65.66 ? 60  ASN B CB    1 
ATOM   456 C CG    . ASN A 1 62 ? -29.328 39.212 18.667 1.00 67.43 ? 60  ASN B CG    1 
ATOM   457 O OD1   . ASN A 1 62 ? -28.945 39.354 19.833 1.00 69.65 ? 60  ASN B OD1   1 
ATOM   458 N ND2   . ASN A 1 62 ? -30.609 39.014 18.347 1.00 69.34 ? 60  ASN B ND2   1 
ATOM   459 N N     . LYS A 1 63 ? -24.803 39.904 16.791 1.00 65.20 ? 61  LYS B N     1 
ATOM   460 C CA    . LYS A 1 63 ? -23.724 39.408 15.941 1.00 56.65 ? 61  LYS B CA    1 
ATOM   461 C C     . LYS A 1 63 ? -22.882 38.369 16.618 1.00 51.80 ? 61  LYS B C     1 
ATOM   462 O O     . LYS A 1 63 ? -22.906 38.215 17.842 1.00 50.84 ? 61  LYS B O     1 
ATOM   463 C CB    . LYS A 1 63 ? -22.829 40.550 15.474 1.00 59.46 ? 61  LYS B CB    1 
ATOM   464 C CG    . LYS A 1 63 ? -23.469 41.472 14.487 1.00 62.16 ? 61  LYS B CG    1 
ATOM   465 C CD    . LYS A 1 63 ? -22.420 42.439 13.938 1.00 66.20 ? 61  LYS B CD    1 
ATOM   466 C CE    . LYS A 1 63 ? -21.210 41.629 13.451 1.00 65.34 ? 61  LYS B CE    1 
ATOM   467 N NZ    . LYS A 1 63 ? -20.044 42.424 12.975 1.00 72.30 ? 61  LYS B NZ    1 
ATOM   468 N N     . ARG A 1 64 ? -22.130 37.629 15.819 1.00 49.02 ? 62  ARG B N     1 
ATOM   469 C CA    . ARG A 1 64 ? -21.165 36.724 16.389 1.00 45.85 ? 62  ARG B CA    1 
ATOM   470 C C     . ARG A 1 64 ? -20.190 37.509 17.201 1.00 43.27 ? 62  ARG B C     1 
ATOM   471 O O     . ARG A 1 64 ? -19.611 38.447 16.690 1.00 43.23 ? 62  ARG B O     1 
ATOM   472 C CB    . ARG A 1 64 ? -20.395 36.021 15.280 1.00 49.15 ? 62  ARG B CB    1 
ATOM   473 C CG    . ARG A 1 64 ? -21.288 35.482 14.212 1.00 45.17 ? 62  ARG B CG    1 
ATOM   474 C CD    . ARG A 1 64 ? -20.571 34.370 13.482 1.00 32.43 ? 62  ARG B CD    1 
ATOM   475 N NE    . ARG A 1 64 ? -21.572 33.352 13.227 1.00 28.46 ? 62  ARG B NE    1 
ATOM   476 C CZ    . ARG A 1 64 ? -21.488 32.463 12.258 1.00 27.07 ? 62  ARG B CZ    1 
ATOM   477 N NH1   . ARG A 1 64 ? -20.456 32.497 11.437 1.00 26.59 ? 62  ARG B NH1   1 
ATOM   478 N NH2   . ARG A 1 64 ? -22.455 31.563 12.141 1.00 26.42 ? 62  ARG B NH2   1 
ATOM   479 N N     . PRO A 1 65 ? -19.975 37.103 18.456 1.00 40.27 ? 63  PRO B N     1 
ATOM   480 C CA    . PRO A 1 65 ? -18.900 37.741 19.205 1.00 37.75 ? 63  PRO B CA    1 
ATOM   481 C C     . PRO A 1 65 ? -17.611 37.511 18.437 1.00 39.89 ? 63  PRO B C     1 
ATOM   482 O O     . PRO A 1 65 ? -17.505 36.528 17.682 1.00 38.72 ? 63  PRO B O     1 
ATOM   483 C CB    . PRO A 1 65 ? -18.879 36.980 20.531 1.00 31.79 ? 63  PRO B CB    1 
ATOM   484 C CG    . PRO A 1 65 ? -20.325 36.422 20.667 1.00 39.29 ? 63  PRO B CG    1 
ATOM   485 C CD    . PRO A 1 65 ? -20.705 36.099 19.248 1.00 35.44 ? 63  PRO B CD    1 
ATOM   486 N N     . VAL A 1 66 ? -16.697 38.458 18.569 1.00 34.97 ? 64  VAL B N     1 
ATOM   487 C CA    . VAL A 1 66 ? -15.402 38.344 17.937 1.00 34.43 ? 64  VAL B CA    1 
ATOM   488 C C     . VAL A 1 66 ? -14.350 38.350 19.002 1.00 33.93 ? 64  VAL B C     1 
ATOM   489 O O     . VAL A 1 66 ? -14.323 39.222 19.878 1.00 44.02 ? 64  VAL B O     1 
ATOM   490 C CB    . VAL A 1 66 ? -15.184 39.509 16.931 1.00 43.52 ? 64  VAL B CB    1 
ATOM   491 C CG1   . VAL A 1 66 ? -13.760 39.580 16.536 1.00 45.48 ? 64  VAL B CG1   1 
ATOM   492 C CG2   . VAL A 1 66 ? -16.096 39.310 15.678 1.00 38.16 ? 64  VAL B CG2   1 
ATOM   493 N N     . TRP A 1 67 ? -13.436 37.388 18.911 1.00 34.82 ? 65  TRP B N     1 
ATOM   494 C CA    . TRP A 1 67 ? -12.500 37.126 19.985 1.00 33.22 ? 65  TRP B CA    1 
ATOM   495 C C     . TRP A 1 67 ? -11.099 37.566 19.578 1.00 36.73 ? 65  TRP B C     1 
ATOM   496 O O     . TRP A 1 67 ? -10.769 37.485 18.414 1.00 35.81 ? 65  TRP B O     1 
ATOM   497 C CB    . TRP A 1 67 ? -12.503 35.628 20.296 1.00 27.12 ? 65  TRP B CB    1 
ATOM   498 C CG    . TRP A 1 67 ? -13.842 35.185 20.826 1.00 26.03 ? 65  TRP B CG    1 
ATOM   499 C CD1   . TRP A 1 67 ? -14.896 34.717 20.113 1.00 29.12 ? 65  TRP B CD1   1 
ATOM   500 C CD2   . TRP A 1 67 ? -14.247 35.202 22.186 1.00 33.91 ? 65  TRP B CD2   1 
ATOM   501 N NE1   . TRP A 1 67 ? -15.970 34.404 20.974 1.00 29.21 ? 65  TRP B NE1   1 
ATOM   502 C CE2   . TRP A 1 67 ? -15.592 34.734 22.248 1.00 31.46 ? 65  TRP B CE2   1 
ATOM   503 C CE3   . TRP A 1 67 ? -13.608 35.587 23.367 1.00 32.48 ? 65  TRP B CE3   1 
ATOM   504 C CZ2   . TRP A 1 67 ? -16.292 34.611 23.462 1.00 28.34 ? 65  TRP B CZ2   1 
ATOM   505 C CZ3   . TRP A 1 67 ? -14.300 35.483 24.550 1.00 33.56 ? 65  TRP B CZ3   1 
ATOM   506 C CH2   . TRP A 1 67 ? -15.624 35.002 24.588 1.00 29.11 ? 65  TRP B CH2   1 
ATOM   507 N N     . ASN A 1 68 ? -10.301 38.011 20.539 1.00 33.22 ? 66  ASN B N     1 
ATOM   508 C CA    . ASN A 1 68 ? -8.882  38.232 20.284 1.00 35.72 ? 66  ASN B CA    1 
ATOM   509 C C     . ASN A 1 68 ? -8.071  38.075 21.563 1.00 38.80 ? 66  ASN B C     1 
ATOM   510 O O     . ASN A 1 68 ? -8.611  38.005 22.657 1.00 33.82 ? 66  ASN B O     1 
ATOM   511 C CB    . ASN A 1 68 ? -8.678  39.623 19.682 1.00 39.82 ? 66  ASN B CB    1 
ATOM   512 C CG    . ASN A 1 68 ? -7.397  39.721 18.866 1.00 42.25 ? 66  ASN B CG    1 
ATOM   513 O OD1   . ASN A 1 68 ? -6.602  38.778 18.826 1.00 37.44 ? 66  ASN B OD1   1 
ATOM   514 N ND2   . ASN A 1 68 ? -7.180  40.871 18.235 1.00 44.21 ? 66  ASN B ND2   1 
ATOM   515 N N     . LEU A 1 69 ? -6.752  38.014 21.432 1.00 37.06 ? 67  LEU B N     1 
ATOM   516 C CA    . LEU A 1 69 ? -5.885  38.006 22.591 1.00 36.70 ? 67  LEU B CA    1 
ATOM   517 C C     . LEU A 1 69 ? -5.879  39.358 23.303 1.00 40.96 ? 67  LEU B C     1 
ATOM   518 O O     . LEU A 1 69 ? -5.880  40.402 22.684 1.00 45.35 ? 67  LEU B O     1 
ATOM   519 C CB    . LEU A 1 69 ? -4.431  37.674 22.156 1.00 36.41 ? 67  LEU B CB    1 
ATOM   520 C CG    . LEU A 1 69 ? -4.241  36.267 21.582 1.00 35.37 ? 67  LEU B CG    1 
ATOM   521 C CD1   . LEU A 1 69 ? -2.794  36.009 21.286 1.00 36.27 ? 67  LEU B CD1   1 
ATOM   522 C CD2   . LEU A 1 69 ? -4.755  35.199 22.556 1.00 33.99 ? 67  LEU B CD2   1 
ATOM   523 N N     . VAL A 1 70 ? -5.869  39.318 24.618 1.00 43.78 ? 68  VAL B N     1 
ATOM   524 C CA    . VAL A 1 70 ? -5.619  40.500 25.413 1.00 47.75 ? 68  VAL B CA    1 
ATOM   525 C C     . VAL A 1 70 ? -4.199  41.011 25.062 1.00 56.56 ? 68  VAL B C     1 
ATOM   526 O O     . VAL A 1 70 ? -3.283  40.209 24.910 1.00 51.73 ? 68  VAL B O     1 
ATOM   527 C CB    . VAL A 1 70 ? -5.745  40.123 26.911 1.00 45.63 ? 68  VAL B CB    1 
ATOM   528 C CG1   . VAL A 1 70 ? -5.204  41.208 27.802 1.00 57.54 ? 68  VAL B CG1   1 
ATOM   529 C CG2   . VAL A 1 70 ? -7.213  39.772 27.256 1.00 43.20 ? 68  VAL B CG2   1 
ATOM   530 N N     . GLU A 1 71 ? -4.038  42.318 24.853 1.00 67.11 ? 69  GLU B N     1 
ATOM   531 C CA    . GLU A 1 71 ? -2.703  42.952 24.762 1.00 77.14 ? 69  GLU B CA    1 
ATOM   532 C C     . GLU A 1 71 ? -1.655  42.349 23.811 1.00 84.30 ? 69  GLU B C     1 
ATOM   533 O O     . GLU A 1 71 ? -1.960  41.494 22.971 1.00 87.63 ? 69  GLU B O     1 
ATOM   534 C CB    . GLU A 1 71 ? -2.101  43.067 26.155 1.00 76.12 ? 69  GLU B CB    1 
ATOM   535 C CG    . GLU A 1 71 ? -2.658  44.235 26.884 1.00 82.59 ? 69  GLU B CG    1 
ATOM   536 C CD    . GLU A 1 71 ? -2.361  45.527 26.145 1.00 92.34 ? 69  GLU B CD    1 
ATOM   537 O OE1   . GLU A 1 71 ? -1.176  45.953 26.129 1.00 96.79 ? 69  GLU B OE1   1 
ATOM   538 O OE2   . GLU A 1 71 ? -3.309  46.106 25.567 1.00 95.21 ? 69  GLU B OE2   1 
ATOM   539 P P     . DC  B 2 2  ? -30.433 35.889 15.371 1.00 37.87 ? 8   DC  C P     1 
ATOM   540 O OP1   . DC  B 2 2  ? -31.617 35.732 16.304 1.00 34.30 ? 8   DC  C OP1   1 
ATOM   541 O OP2   . DC  B 2 2  ? -29.625 37.137 15.077 1.00 34.86 ? 8   DC  C OP2   1 
ATOM   542 O "O5'" . DC  B 2 2  ? -29.403 34.632 15.536 1.00 25.34 ? 8   DC  C "O5'" 1 
ATOM   543 C "C5'" . DC  B 2 2  ? -28.513 34.799 16.666 1.00 22.57 ? 8   DC  C "C5'" 1 
ATOM   544 C "C4'" . DC  B 2 2  ? -27.769 33.486 16.818 1.00 20.69 ? 8   DC  C "C4'" 1 
ATOM   545 O "O4'" . DC  B 2 2  ? -28.720 32.460 17.234 1.00 17.83 ? 8   DC  C "O4'" 1 
ATOM   546 C "C3'" . DC  B 2 2  ? -27.145 33.018 15.480 1.00 22.08 ? 8   DC  C "C3'" 1 
ATOM   547 O "O3'" . DC  B 2 2  ? -25.840 32.476 15.765 1.00 23.07 ? 8   DC  C "O3'" 1 
ATOM   548 C "C2'" . DC  B 2 2  ? -28.070 31.863 15.089 1.00 19.42 ? 8   DC  C "C2'" 1 
ATOM   549 C "C1'" . DC  B 2 2  ? -28.554 31.292 16.434 1.00 18.09 ? 8   DC  C "C1'" 1 
ATOM   550 N N1    . DC  B 2 2  ? -29.854 30.561 16.358 1.00 20.26 ? 8   DC  C N1    1 
ATOM   551 C C2    . DC  B 2 2  ? -29.768 29.166 16.310 1.00 17.29 ? 8   DC  C C2    1 
ATOM   552 O O2    . DC  B 2 2  ? -28.637 28.632 16.247 1.00 18.13 ? 8   DC  C O2    1 
ATOM   553 N N3    . DC  B 2 2  ? -30.888 28.445 16.220 1.00 19.61 ? 8   DC  C N3    1 
ATOM   554 C C4    . DC  B 2 2  ? -32.045 29.099 16.268 1.00 16.40 ? 8   DC  C C4    1 
ATOM   555 N N4    . DC  B 2 2  ? -33.175 28.401 16.153 1.00 18.35 ? 8   DC  C N4    1 
ATOM   556 C C5    . DC  B 2 2  ? -32.169 30.529 16.289 1.00 16.79 ? 8   DC  C C5    1 
ATOM   557 C C6    . DC  B 2 2  ? -31.033 31.235 16.390 1.00 18.78 ? 8   DC  C C6    1 
ATOM   558 P P     . DG  B 2 3  ? -24.516 33.324 15.449 1.00 26.95 ? 9   DG  C P     1 
ATOM   559 O OP1   . DG  B 2 3  ? -24.709 34.399 14.412 1.00 28.98 ? 9   DG  C OP1   1 
ATOM   560 O OP2   . DG  B 2 3  ? -23.429 32.339 15.432 1.00 37.37 ? 9   DG  C OP2   1 
ATOM   561 O "O5'" . DG  B 2 3  ? -24.369 34.277 16.742 1.00 25.66 ? 9   DG  C "O5'" 1 
ATOM   562 C "C5'" . DG  B 2 3  ? -24.234 33.648 18.049 1.00 22.70 ? 9   DG  C "C5'" 1 
ATOM   563 C "C4'" . DG  B 2 3  ? -24.440 34.661 19.143 1.00 23.26 ? 9   DG  C "C4'" 1 
ATOM   564 O "O4'" . DG  B 2 3  ? -25.741 35.384 19.024 1.00 22.98 ? 9   DG  C "O4'" 1 
ATOM   565 C "C3'" . DG  B 2 3  ? -24.321 34.014 20.547 1.00 21.20 ? 9   DG  C "C3'" 1 
ATOM   566 O "O3'" . DG  B 2 3  ? -22.915 34.136 20.989 1.00 22.77 ? 9   DG  C "O3'" 1 
ATOM   567 C "C2'" . DG  B 2 3  ? -25.183 35.004 21.383 1.00 21.56 ? 9   DG  C "C2'" 1 
ATOM   568 C "C1'" . DG  B 2 3  ? -26.211 35.623 20.368 1.00 19.91 ? 9   DG  C "C1'" 1 
ATOM   569 N N9    . DG  B 2 3  ? -27.600 35.107 20.360 1.00 21.32 ? 9   DG  C N9    1 
ATOM   570 C C8    . DG  B 2 3  ? -28.749 35.855 20.358 1.00 22.78 ? 9   DG  C C8    1 
ATOM   571 N N7    . DG  B 2 3  ? -29.840 35.147 20.314 1.00 25.16 ? 9   DG  C N7    1 
ATOM   572 C C5    . DG  B 2 3  ? -29.395 33.819 20.206 1.00 21.69 ? 9   DG  C C5    1 
ATOM   573 C C6    . DG  B 2 3  ? -30.155 32.654 20.099 1.00 22.00 ? 9   DG  C C6    1 
ATOM   574 O O6    . DG  B 2 3  ? -31.370 32.586 20.031 1.00 20.77 ? 9   DG  C O6    1 
ATOM   575 N N1    . DG  B 2 3  ? -29.379 31.494 20.022 1.00 16.66 ? 9   DG  C N1    1 
ATOM   576 C C2    . DG  B 2 3  ? -28.011 31.572 19.997 1.00 15.91 ? 9   DG  C C2    1 
ATOM   577 N N2    . DG  B 2 3  ? -27.444 30.384 19.847 1.00 16.22 ? 9   DG  C N2    1 
ATOM   578 N N3    . DG  B 2 3  ? -27.252 32.699 20.085 1.00 20.01 ? 9   DG  C N3    1 
ATOM   579 C C4    . DG  B 2 3  ? -28.028 33.766 20.250 1.00 18.51 ? 9   DG  C C4    1 
ATOM   580 P P     . DC  B 2 4  ? -22.087 32.955 21.618 1.00 29.02 ? 10  DC  C P     1 
ATOM   581 O OP1   . DC  B 2 4  ? -20.848 33.467 22.342 1.00 27.48 ? 10  DC  C OP1   1 
ATOM   582 O OP2   . DC  B 2 4  ? -21.885 31.952 20.470 1.00 25.05 ? 10  DC  C OP2   1 
ATOM   583 O "O5'" . DC  B 2 4  ? -22.936 32.293 22.728 1.00 20.00 ? 10  DC  C "O5'" 1 
ATOM   584 C "C5'" . DC  B 2 4  ? -22.362 31.296 23.697 1.00 15.50 ? 10  DC  C "C5'" 1 
ATOM   585 C "C4'" . DC  B 2 4  ? -23.196 30.050 23.871 1.00 15.11 ? 10  DC  C "C4'" 1 
ATOM   586 O "O4'" . DC  B 2 4  ? -24.510 30.487 24.398 1.00 17.54 ? 10  DC  C "O4'" 1 
ATOM   587 C "C3'" . DC  B 2 4  ? -23.495 29.296 22.546 1.00 14.84 ? 10  DC  C "C3'" 1 
ATOM   588 O "O3'" . DC  B 2 4  ? -23.497 27.859 22.736 1.00 19.67 ? 10  DC  C "O3'" 1 
ATOM   589 C "C2'" . DC  B 2 4  ? -24.952 29.793 22.212 1.00 13.89 ? 10  DC  C "C2'" 1 
ATOM   590 C "C1'" . DC  B 2 4  ? -25.493 29.840 23.639 1.00 17.07 ? 10  DC  C "C1'" 1 
ATOM   591 N N1    . DC  B 2 4  ? -26.688 30.705 23.667 1.00 13.21 ? 10  DC  C N1    1 
ATOM   592 C C2    . DC  B 2 4  ? -27.934 30.127 23.514 1.00 15.23 ? 10  DC  C C2    1 
ATOM   593 O O2    . DC  B 2 4  ? -28.026 28.921 23.395 1.00 18.17 ? 10  DC  C O2    1 
ATOM   594 N N3    . DC  B 2 4  ? -29.034 30.929 23.468 1.00 17.00 ? 10  DC  C N3    1 
ATOM   595 C C4    . DC  B 2 4  ? -28.883 32.267 23.555 1.00 17.18 ? 10  DC  C C4    1 
ATOM   596 N N4    . DC  B 2 4  ? -30.073 32.972 23.515 1.00 18.52 ? 10  DC  C N4    1 
ATOM   597 C C5    . DC  B 2 4  ? -27.607 32.893 23.657 1.00 19.55 ? 10  DC  C C5    1 
ATOM   598 C C6    . DC  B 2 4  ? -26.552 32.064 23.695 1.00 14.41 ? 10  DC  C C6    1 
ATOM   599 P P     . DG  B 2 5  ? -22.217 26.941 22.458 1.00 20.94 ? 11  DG  C P     1 
ATOM   600 O OP1   . DG  B 2 5  ? -21.585 27.441 21.225 1.00 19.53 ? 11  DG  C OP1   1 
ATOM   601 O OP2   . DG  B 2 5  ? -22.723 25.530 22.612 1.00 24.43 ? 11  DG  C OP2   1 
ATOM   602 O "O5'" . DG  B 2 5  ? -21.238 27.269 23.656 1.00 19.27 ? 11  DG  C "O5'" 1 
ATOM   603 C "C5'" . DG  B 2 5  ? -21.533 26.819 25.061 1.00 18.86 ? 11  DG  C "C5'" 1 
ATOM   604 C "C4'" . DG  B 2 5  ? -20.574 27.471 26.029 1.00 15.97 ? 11  DG  C "C4'" 1 
ATOM   605 O "O4'" . DG  B 2 5  ? -20.665 28.900 25.987 1.00 20.37 ? 11  DG  C "O4'" 1 
ATOM   606 C "C3'" . DG  B 2 5  ? -20.961 27.127 27.501 1.00 21.51 ? 11  DG  C "C3'" 1 
ATOM   607 O "O3'" . DG  B 2 5  ? -20.138 25.989 27.797 1.00 24.59 ? 11  DG  C "O3'" 1 
ATOM   608 C "C2'" . DG  B 2 5  ? -20.472 28.329 28.260 1.00 20.17 ? 11  DG  C "C2'" 1 
ATOM   609 C "C1'" . DG  B 2 5  ? -20.493 29.500 27.283 1.00 21.22 ? 11  DG  C "C1'" 1 
ATOM   610 N N9    . DG  B 2 5  ? -21.587 30.476 27.387 1.00 20.81 ? 11  DG  C N9    1 
ATOM   611 C C8    . DG  B 2 5  ? -21.403 31.823 27.496 1.00 19.57 ? 11  DG  C C8    1 
ATOM   612 N N7    . DG  B 2 5  ? -22.522 32.529 27.471 1.00 19.39 ? 11  DG  C N7    1 
ATOM   613 C C5    . DG  B 2 5  ? -23.530 31.571 27.404 1.00 17.02 ? 11  DG  C C5    1 
ATOM   614 C C6    . DG  B 2 5  ? -24.939 31.761 27.308 1.00 18.09 ? 11  DG  C C6    1 
ATOM   615 O O6    . DG  B 2 5  ? -25.554 32.825 27.313 1.00 21.67 ? 11  DG  C O6    1 
ATOM   616 N N1    . DG  B 2 5  ? -25.646 30.564 27.165 1.00 17.84 ? 11  DG  C N1    1 
ATOM   617 C C2    . DG  B 2 5  ? -25.018 29.336 27.061 1.00 17.21 ? 11  DG  C C2    1 
ATOM   618 N N2    . DG  B 2 5  ? -25.829 28.257 26.878 1.00 17.99 ? 11  DG  C N2    1 
ATOM   619 N N3    . DG  B 2 5  ? -23.662 29.189 27.133 1.00 14.95 ? 11  DG  C N3    1 
ATOM   620 C C4    . DG  B 2 5  ? -22.982 30.329 27.284 1.00 18.23 ? 11  DG  C C4    1 
ATOM   621 P P     . DC  B 2 6  ? -20.701 24.696 28.583 1.00 29.62 ? 12  DC  C P     1 
ATOM   622 O OP1   . DC  B 2 6  ? -19.609 24.149 29.436 1.00 29.72 ? 12  DC  C OP1   1 
ATOM   623 O OP2   . DC  B 2 6  ? -21.494 23.771 27.799 1.00 32.37 ? 12  DC  C OP2   1 
ATOM   624 O "O5'" . DC  B 2 6  ? -21.704 25.364 29.682 1.00 22.68 ? 12  DC  C "O5'" 1 
ATOM   625 C "C5'" . DC  B 2 6  ? -22.074 24.514 30.792 1.00 18.36 ? 12  DC  C "C5'" 1 
ATOM   626 C "C4'" . DC  B 2 6  ? -23.587 24.800 31.046 1.00 16.30 ? 12  DC  C "C4'" 1 
ATOM   627 O "O4'" . DC  B 2 6  ? -23.766 26.156 31.529 1.00 17.08 ? 12  DC  C "O4'" 1 
ATOM   628 C "C3'" . DC  B 2 6  ? -24.543 24.561 29.858 1.00 14.83 ? 12  DC  C "C3'" 1 
ATOM   629 O "O3'" . DC  B 2 6  ? -25.712 23.903 30.334 1.00 20.27 ? 12  DC  C "O3'" 1 
ATOM   630 C "C2'" . DC  B 2 6  ? -24.890 26.017 29.472 1.00 17.83 ? 12  DC  C "C2'" 1 
ATOM   631 C "C1'" . DC  B 2 6  ? -24.878 26.649 30.860 1.00 17.51 ? 12  DC  C "C1'" 1 
ATOM   632 N N1    . DC  B 2 6  ? -24.725 28.112 30.776 1.00 14.52 ? 12  DC  C N1    1 
ATOM   633 C C2    . DC  B 2 6  ? -25.909 28.849 30.658 1.00 17.94 ? 12  DC  C C2    1 
ATOM   634 O O2    . DC  B 2 6  ? -26.965 28.217 30.587 1.00 17.82 ? 12  DC  C O2    1 
ATOM   635 N N3    . DC  B 2 6  ? -25.843 30.175 30.556 1.00 15.93 ? 12  DC  C N3    1 
ATOM   636 C C4    . DC  B 2 6  ? -24.665 30.762 30.641 1.00 14.40 ? 12  DC  C C4    1 
ATOM   637 N N4    . DC  B 2 6  ? -24.600 32.088 30.566 1.00 16.86 ? 12  DC  C N4    1 
ATOM   638 C C5    . DC  B 2 6  ? -23.443 30.038 30.775 1.00 17.18 ? 12  DC  C C5    1 
ATOM   639 C C6    . DC  B 2 6  ? -23.517 28.691 30.872 1.00 19.31 ? 12  DC  C C6    1 
ATOM   640 P P     . DG  B 2 7  ? -25.910 22.326 30.104 1.00 28.32 ? 13  DG  C P     1 
ATOM   641 O OP1   . DG  B 2 7  ? -25.429 21.985 28.821 1.00 24.94 ? 13  DG  C OP1   1 
ATOM   642 O OP2   . DG  B 2 7  ? -27.254 22.033 30.729 1.00 32.32 ? 13  DG  C OP2   1 
ATOM   643 O "O5'" . DG  B 2 7  ? -24.857 21.667 31.119 1.00 24.72 ? 13  DG  C "O5'" 1 
ATOM   644 C "C5'" . DG  B 2 7  ? -25.061 21.674 32.541 1.00 19.99 ? 13  DG  C "C5'" 1 
ATOM   645 C "C4'" . DG  B 2 7  ? -23.809 21.234 33.236 1.00 18.67 ? 13  DG  C "C4'" 1 
ATOM   646 O "O4'" . DG  B 2 7  ? -22.754 22.118 33.096 1.00 20.03 ? 13  DG  C "O4'" 1 
ATOM   647 C "C3'" . DG  B 2 7  ? -24.134 21.483 34.699 1.00 21.77 ? 13  DG  C "C3'" 1 
ATOM   648 O "O3'" . DG  B 2 7  ? -24.592 20.220 34.879 1.00 32.63 ? 13  DG  C "O3'" 1 
ATOM   649 C "C2'" . DG  B 2 7  ? -22.821 21.609 35.353 1.00 22.01 ? 13  DG  C "C2'" 1 
ATOM   650 C "C1'" . DG  B 2 7  ? -21.987 22.223 34.282 1.00 22.47 ? 13  DG  C "C1'" 1 
ATOM   651 N N9    . DG  B 2 7  ? -21.742 23.662 34.355 1.00 19.94 ? 13  DG  C N9    1 
ATOM   652 C C8    . DG  B 2 7  ? -20.488 24.224 34.366 1.00 18.28 ? 13  DG  C C8    1 
ATOM   653 N N7    . DG  B 2 7  ? -20.516 25.540 34.373 1.00 20.77 ? 13  DG  C N7    1 
ATOM   654 C C5    . DG  B 2 7  ? -21.886 25.856 34.373 1.00 20.38 ? 13  DG  C C5    1 
ATOM   655 C C6    . DG  B 2 7  ? -22.517 27.152 34.417 1.00 19.68 ? 13  DG  C C6    1 
ATOM   656 O O6    . DG  B 2 7  ? -21.989 28.225 34.340 1.00 17.39 ? 13  DG  C O6    1 
ATOM   657 N N1    . DG  B 2 7  ? -23.895 27.084 34.405 1.00 18.05 ? 13  DG  C N1    1 
ATOM   658 C C2    . DG  B 2 7  ? -24.561 25.859 34.421 1.00 17.81 ? 13  DG  C C2    1 
ATOM   659 N N2    . DG  B 2 7  ? -25.902 25.918 34.330 1.00 18.52 ? 13  DG  C N2    1 
ATOM   660 N N3    . DG  B 2 7  ? -24.010 24.626 34.370 1.00 16.95 ? 13  DG  C N3    1 
ATOM   661 C C4    . DG  B 2 7  ? -22.656 24.716 34.422 1.00 18.71 ? 13  DG  C C4    1 
HETATM 662 O O     . HOH C 3 .  ? -18.434 33.111 20.801 1.00 23.37 ? 101 HOH B O     1 
HETATM 663 O O     . HOH C 3 .  ? -22.274 20.967 23.717 1.00 24.31 ? 102 HOH B O     1 
HETATM 664 O O     . HOH C 3 .  ? -19.572 21.748 16.442 1.00 26.92 ? 103 HOH B O     1 
HETATM 665 O O     . HOH C 3 .  ? -17.845 33.018 9.297  1.00 42.53 ? 104 HOH B O     1 
HETATM 666 O O     . HOH C 3 .  ? -24.368 30.145 18.934 1.00 31.42 ? 105 HOH B O     1 
HETATM 667 O O     . HOH C 3 .  ? -18.116 33.879 18.207 1.00 29.78 ? 106 HOH B O     1 
HETATM 668 O O     . HOH C 3 .  ? -14.757 18.998 20.875 1.00 41.57 ? 107 HOH B O     1 
HETATM 669 O O     . HOH C 3 .  ? -16.751 28.629 30.089 1.00 39.18 ? 108 HOH B O     1 
HETATM 670 O O     . HOH C 3 .  ? -3.761  26.590 16.838 1.00 35.56 ? 109 HOH B O     1 
HETATM 671 O O     . HOH C 3 .  ? -13.338 20.728 27.257 1.00 44.78 ? 110 HOH B O     1 
HETATM 672 O O     . HOH C 3 .  ? -3.393  36.151 26.039 1.00 40.63 ? 111 HOH B O     1 
HETATM 673 O O     . HOH C 3 .  ? -19.408 39.274 14.192 1.00 38.11 ? 112 HOH B O     1 
HETATM 674 O O     . HOH C 3 .  ? -8.759  29.659 31.324 1.00 49.04 ? 113 HOH B O     1 
HETATM 675 O O     . HOH C 3 .  ? -10.680 38.994 29.562 1.00 45.50 ? 114 HOH B O     1 
HETATM 676 O O     . HOH C 3 .  ? 0.831   29.937 20.539 1.00 39.12 ? 115 HOH B O     1 
HETATM 677 O O     . HOH C 3 .  ? -19.235 31.081 9.482  1.00 38.15 ? 116 HOH B O     1 
HETATM 678 O O     . HOH C 3 .  ? -18.751 36.704 10.785 0.50 36.41 ? 117 HOH B O     1 
HETATM 679 O O     . HOH C 3 .  ? -11.166 30.758 34.027 1.00 46.36 ? 118 HOH B O     1 
HETATM 680 O O     . HOH C 3 .  ? -20.279 28.044 10.444 1.00 39.81 ? 119 HOH B O     1 
HETATM 681 O O     . HOH C 3 .  ? -12.121 40.798 20.481 1.00 41.10 ? 120 HOH B O     1 
HETATM 682 O O     . HOH C 3 .  ? -16.177 34.735 30.883 1.00 48.50 ? 121 HOH B O     1 
HETATM 683 O O     . HOH C 3 .  ? -16.233 30.075 9.490  1.00 41.30 ? 122 HOH B O     1 
HETATM 684 O O     . HOH C 3 .  ? -14.157 36.728 11.257 1.00 46.76 ? 123 HOH B O     1 
HETATM 685 O O     . HOH C 3 .  ? -8.559  18.689 16.771 1.00 47.50 ? 124 HOH B O     1 
HETATM 686 O O     . HOH C 3 .  ? -3.592  23.948 15.998 1.00 48.81 ? 125 HOH B O     1 
HETATM 687 O O     . HOH C 3 .  ? -17.402 43.073 17.386 1.00 56.40 ? 126 HOH B O     1 
HETATM 688 O O     . HOH C 3 .  ? -24.094 38.000 20.696 1.00 41.90 ? 127 HOH B O     1 
HETATM 689 O O     . HOH C 3 .  ? -15.359 20.422 14.068 1.00 50.65 ? 128 HOH B O     1 
HETATM 690 O O     . HOH C 3 .  ? -1.887  38.188 25.121 1.00 56.67 ? 129 HOH B O     1 
HETATM 691 O O     . HOH C 3 .  ? -24.246 22.993 23.603 1.00 40.94 ? 130 HOH B O     1 
HETATM 692 O O     . HOH C 3 .  ? -13.772 42.936 11.703 1.00 58.92 ? 131 HOH B O     1 
HETATM 693 O O     . HOH C 3 .  ? -26.762 38.842 21.850 1.00 49.29 ? 132 HOH B O     1 
HETATM 694 O O     . HOH C 3 .  ? -18.223 42.644 15.465 1.00 55.65 ? 133 HOH B O     1 
HETATM 695 O O     . HOH C 3 .  ? -14.435 39.823 27.532 1.00 55.94 ? 134 HOH B O     1 
HETATM 696 O O     . HOH C 3 .  ? -15.967 30.044 32.544 1.00 44.66 ? 135 HOH B O     1 
HETATM 697 O O     . HOH C 3 .  ? -17.129 15.547 18.496 1.00 51.85 ? 136 HOH B O     1 
HETATM 698 O O     . HOH C 3 .  ? -27.513 41.431 14.939 1.00 44.35 ? 137 HOH B O     1 
HETATM 699 O O     . HOH C 3 .  ? -12.884 40.744 29.890 1.00 58.61 ? 138 HOH B O     1 
HETATM 700 O O     . HOH C 3 .  ? -19.431 37.120 29.361 1.00 46.00 ? 139 HOH B O     1 
HETATM 701 O O     . HOH C 3 .  ? -6.237  19.017 21.119 1.00 54.67 ? 140 HOH B O     1 
HETATM 702 O O     . HOH C 3 .  ? -22.260 39.278 11.614 1.00 50.79 ? 141 HOH B O     1 
HETATM 703 O O     . HOH C 3 .  ? -7.257  41.635 14.254 1.00 44.29 ? 142 HOH B O     1 
HETATM 704 O O     . HOH D 3 .  ? -20.460 28.545 31.836 1.00 23.25 ? 101 HOH C O     1 
HETATM 705 O O     . HOH D 3 .  ? -27.932 24.074 33.130 1.00 23.21 ? 102 HOH C O     1 
HETATM 706 O O     . HOH D 3 .  ? -25.061 25.638 25.969 1.00 26.35 ? 103 HOH C O     1 
HETATM 707 O O     . HOH D 3 .  ? -32.739 33.749 17.527 1.00 32.14 ? 104 HOH C O     1 
HETATM 708 O O     . HOH D 3 .  ? -22.860 21.349 28.431 1.00 28.43 ? 105 HOH C O     1 
HETATM 709 O O     . HOH D 3 .  ? -35.586 29.840 16.580 1.00 28.17 ? 106 HOH C O     1 
HETATM 710 O O     . HOH D 3 .  ? -23.000 35.190 27.134 1.00 35.36 ? 107 HOH C O     1 
HETATM 711 O O     . HOH D 3 .  ? -28.555 26.900 32.355 0.50 39.51 ? 108 HOH C O     1 
HETATM 712 O O     . HOH D 3 .  ? -18.684 26.593 31.214 1.00 32.13 ? 109 HOH C O     1 
HETATM 713 O O     . HOH D 3 .  ? -22.126 33.447 30.953 1.00 30.23 ? 110 HOH C O     1 
HETATM 714 O O     . HOH D 3 .  ? -29.749 35.709 24.029 1.00 32.57 ? 111 HOH C O     1 
HETATM 715 O O     . HOH D 3 .  ? -25.461 36.329 14.461 1.00 39.43 ? 112 HOH C O     1 
HETATM 716 O O     . HOH D 3 .  ? -21.170 20.418 30.811 1.00 37.45 ? 113 HOH C O     1 
HETATM 717 O O     . HOH D 3 .  ? -19.983 29.566 35.902 1.00 35.26 ? 114 HOH C O     1 
HETATM 718 O O     . HOH D 3 .  ? -19.381 22.431 31.182 1.00 38.93 ? 115 HOH C O     1 
HETATM 719 O O     . HOH D 3 .  ? -20.608 33.011 17.632 1.00 26.84 ? 116 HOH C O     1 
HETATM 720 O O     . HOH D 3 .  ? -28.846 23.357 29.266 1.00 40.12 ? 117 HOH C O     1 
HETATM 721 O O     . HOH D 3 .  ? -27.165 36.601 23.754 1.00 45.99 ? 118 HOH C O     1 
HETATM 722 O O     . HOH D 3 .  ? -25.367 25.367 21.570 0.50 33.83 ? 119 HOH C O     1 
HETATM 723 O O     . HOH D 3 .  ? -33.710 33.710 21.570 0.50 37.69 ? 120 HOH C O     1 
HETATM 724 O O     . HOH D 3 .  ? -27.116 27.116 21.570 0.50 33.43 ? 121 HOH C O     1 
HETATM 725 O O     . HOH D 3 .  ? -25.502 32.930 12.049 1.00 36.82 ? 122 HOH C O     1 
HETATM 726 O O     . HOH D 3 .  ? -27.089 26.078 23.915 1.00 38.07 ? 123 HOH C O     1 
HETATM 727 O O     . HOH D 3 .  ? -28.970 25.554 29.422 1.00 49.91 ? 124 HOH C O     1 
HETATM 728 O O     . HOH D 3 .  ? -34.058 37.119 16.258 1.00 49.65 ? 125 HOH C O     1 
HETATM 729 O O     . HOH D 3 .  ? -34.914 32.958 16.399 1.00 44.05 ? 126 HOH C O     1 
HETATM 730 O O     . HOH D 3 .  ? -23.814 29.952 16.318 1.00 33.68 ? 127 HOH C O     1 
HETATM 731 O O     . HOH D 3 .  ? -36.551 33.686 14.557 1.00 52.48 ? 128 HOH C O     1 
HETATM 732 O O     . HOH D 3 .  ? -18.436 27.316 34.557 1.00 52.43 ? 129 HOH C O     1 
HETATM 733 O O     . HOH D 3 .  ? -24.917 34.698 25.234 1.00 31.03 ? 130 HOH C O     1 
HETATM 734 O O     . HOH D 3 .  ? -25.729 28.663 15.539 1.00 35.51 ? 131 HOH C 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   N N   . GLU A 9  ? 0.6093 0.7672 0.7416 0.0361  -0.0718 0.0396  7  GLU B N   
2   C CA  . GLU A 9  ? 0.4933 0.7003 0.6537 0.0535  -0.0801 0.0614  7  GLU B CA  
3   C C   . GLU A 9  ? 0.4366 0.6876 0.6131 0.0377  -0.0890 0.0697  7  GLU B C   
4   O O   . GLU A 9  ? 0.3654 0.6207 0.5449 0.0281  -0.0830 0.0563  7  GLU B O   
5   C CB  . GLU A 9  ? 0.4472 0.6622 0.6285 0.0851  -0.0661 0.0563  7  GLU B CB  
6   C CG  . GLU A 9  ? 0.5092 0.7166 0.6998 0.1113  -0.0647 0.0688  7  GLU B CG  
7   C CD  . GLU A 9  ? 0.6338 0.8753 0.8455 0.1135  -0.0839 0.0993  7  GLU B CD  
8   O OE1 . GLU A 9  ? 0.5713 0.8652 0.8196 0.1193  -0.0878 0.1130  7  GLU B OE1 
9   O OE2 . GLU A 9  ? 0.6785 0.8932 0.8707 0.1084  -0.0962 0.1107  7  GLU B OE2 
10  N N   . ASN A 10 ? 0.4364 0.7220 0.6280 0.0369  -0.1051 0.0939  8  ASN B N   
11  C CA  . ASN A 10 ? 0.3929 0.7301 0.6119 0.0284  -0.1131 0.1062  8  ASN B CA  
12  C C   . ASN A 10 ? 0.3200 0.6795 0.5660 0.0509  -0.0951 0.1008  8  ASN B C   
13  O O   . ASN A 10 ? 0.2781 0.6495 0.5268 0.0397  -0.0895 0.0957  8  ASN B O   
14  C CB  . ASN A 10 ? 0.4080 0.7645 0.6359 0.0246  -0.1324 0.1295  8  ASN B CB  
15  C CG  . ASN A 10 ? 0.5638 0.8953 0.7539 -0.0015 -0.1530 0.1371  8  ASN B CG  
16  O OD1 . ASN A 10 ? 0.6234 0.9164 0.7768 -0.0236 -0.1441 0.1168  8  ASN B OD1 
17  N ND2 . ASN A 10 ? 0.5995 0.9309 0.7865 -0.0005 -0.1722 0.1579  8  ASN B ND2 
18  N N   . GLU A 11 ? 0.3246 0.6770 0.5811 0.0804  -0.0829 0.0988  9  GLU B N   
19  C CA  . GLU A 11 ? 0.3116 0.6779 0.5839 0.0990  -0.0625 0.0911  9  GLU B CA  
20  C C   . GLU A 11 ? 0.2656 0.6121 0.5139 0.0891  -0.0537 0.0707  9  GLU B C   
21  O O   . GLU A 11 ? 0.2788 0.6475 0.5342 0.0880  -0.0452 0.0700  9  GLU B O   
22  C CB  . GLU A 11 ? 0.3518 0.7066 0.6358 0.1319  -0.0482 0.0897  9  GLU B CB  
23  C CG  . GLU A 11 ? 0.3387 0.7045 0.6323 0.1485  -0.0235 0.0801  9  GLU B CG  
24  C CD  . GLU A 11 ? 0.4353 0.8387 0.7659 0.1518  -0.0172 0.0930  9  GLU B CD  
25  O OE1 . GLU A 11 ? 0.4077 0.8236 0.7610 0.1502  -0.0322 0.1082  9  GLU B OE1 
26  O OE2 . GLU A 11 ? 0.4938 0.9155 0.8313 0.1564  0.0027  0.0882  9  GLU B OE2 
27  N N   . ILE A 12 ? 0.1949 0.4938 0.4141 0.0813  -0.0553 0.0536  10 ILE B N   
28  C CA  . ILE A 12 ? 0.1998 0.4745 0.4009 0.0697  -0.0522 0.0344  10 ILE B CA  
29  C C   . ILE A 12 ? 0.2235 0.5211 0.4305 0.0454  -0.0614 0.0402  10 ILE B C   
30  O O   . ILE A 12 ? 0.1821 0.4861 0.3877 0.0411  -0.0588 0.0367  10 ILE B O   
31  C CB  . ILE A 12 ? 0.2503 0.4742 0.4314 0.0611  -0.0539 0.0160  10 ILE B CB  
32  C CG1 . ILE A 12 ? 0.3352 0.5307 0.5085 0.0831  -0.0444 0.0085  10 ILE B CG1 
33  C CG2 . ILE A 12 ? 0.2314 0.4349 0.4069 0.0463  -0.0562 -0.0013 10 ILE B CG2 
34  C CD1 . ILE A 12 ? 0.4463 0.6400 0.6162 0.1014  -0.0333 0.0001  10 ILE B CD1 
35  N N   . GLU A 13 ? 0.2168 0.5224 0.4259 0.0273  -0.0731 0.0494  11 GLU B N   
36  C CA  . GLU A 13 ? 0.2459 0.5651 0.4577 0.0014  -0.0811 0.0516  11 GLU B CA  
37  C C   . GLU A 13 ? 0.1590 0.5071 0.3822 0.0041  -0.0765 0.0633  11 GLU B C   
38  O O   . GLU A 13 ? 0.1778 0.5235 0.3971 -0.0079 -0.0747 0.0599  11 GLU B O   
39  C CB  . GLU A 13 ? 0.2512 0.5604 0.4512 -0.0229 -0.0923 0.0545  11 GLU B CB  
40  C CG  . GLU A 13 ? 0.2631 0.5214 0.4427 -0.0352 -0.0868 0.0326  11 GLU B CG  
41  C CD  . GLU A 13 ? 0.3911 0.6269 0.5478 -0.0609 -0.0911 0.0306  11 GLU B CD  
42  O OE1 . GLU A 13 ? 0.4059 0.6641 0.5582 -0.0770 -0.1033 0.0454  11 GLU B OE1 
43  O OE2 . GLU A 13 ? 0.4689 0.6611 0.6103 -0.0673 -0.0811 0.0125  11 GLU B OE2 
44  N N   . MET A 14 ? 0.1870 0.5600 0.4267 0.0195  -0.0739 0.0769  12 MET B N   
45  C CA  . MET A 14 ? 0.2050 0.6088 0.4627 0.0221  -0.0658 0.0869  12 MET B CA  
46  C C   . MET A 14 ? 0.2516 0.6629 0.5081 0.0317  -0.0512 0.0810  12 MET B C   
47  O O   . MET A 14 ? 0.1692 0.5964 0.4273 0.0207  -0.0467 0.0853  12 MET B O   
48  C CB  . MET A 14 ? 0.1899 0.6188 0.4754 0.0402  -0.0640 0.1005  12 MET B CB  
49  C CG  . MET A 14 ? 0.1962 0.6613 0.5096 0.0475  -0.0495 0.1085  12 MET B CG  
50  S SD  . MET A 14 ? 0.2972 0.7896 0.6545 0.0686  -0.0485 0.1224  12 MET B SD  
51  C CE  . MET A 14 ? 0.3969 0.8786 0.7444 0.0494  -0.0789 0.1322  12 MET B CE  
52  N N   . ARG A 15 ? 0.1675 0.5685 0.4187 0.0523  -0.0440 0.0720  13 ARG B N   
53  C CA  . ARG A 15 ? 0.1847 0.5766 0.4186 0.0611  -0.0294 0.0626  13 ARG B CA  
54  C C   . ARG A 15 ? 0.1745 0.5407 0.3839 0.0395  -0.0395 0.0540  13 ARG B C   
55  O O   . ARG A 15 ? 0.1870 0.5557 0.3830 0.0345  -0.0333 0.0555  13 ARG B O   
56  C CB  . ARG A 15 ? 0.1972 0.5542 0.4135 0.0844  -0.0184 0.0481  13 ARG B CB  
57  C CG  . ARG A 15 ? 0.2117 0.5948 0.4549 0.1108  -0.0001 0.0564  13 ARG B CG  
58  C CD  . ARG A 15 ? 0.3907 0.7312 0.6135 0.1327  0.0112  0.0397  13 ARG B CD  
59  N NE  . ARG A 15 ? 0.4268 0.7380 0.6105 0.1330  0.0236  0.0231  13 ARG B NE  
60  C CZ  . ARG A 15 ? 0.4283 0.6895 0.5771 0.1361  0.0221  0.0036  13 ARG B CZ  
61  N NH1 . ARG A 15 ? 0.3957 0.6286 0.5453 0.1398  0.0122  -0.0039 13 ARG B NH1 
62  N NH2 . ARG A 15 ? 0.4222 0.6603 0.5325 0.1332  0.0301  -0.0081 13 ARG B NH2 
63  N N   . ILE A 16 ? 0.1614 0.5024 0.3672 0.0259  -0.0545 0.0462  14 ILE B N   
64  C CA  . ILE A 16 ? 0.1571 0.4760 0.3530 0.0064  -0.0651 0.0393  14 ILE B CA  
65  C C   . ILE A 16 ? 0.1565 0.5060 0.3646 -0.0129 -0.0686 0.0538  14 ILE B C   
66  O O   . ILE A 16 ? 0.1600 0.5036 0.3578 -0.0219 -0.0705 0.0556  14 ILE B O   
67  C CB  . ILE A 16 ? 0.1464 0.4337 0.3445 -0.0047 -0.0750 0.0263  14 ILE B CB  
68  C CG1 . ILE A 16 ? 0.1558 0.4070 0.3416 0.0119  -0.0714 0.0100  14 ILE B CG1 
69  C CG2 . ILE A 16 ? 0.1416 0.4101 0.3432 -0.0255 -0.0856 0.0204  14 ILE B CG2 
70  C CD1 . ILE A 16 ? 0.1511 0.3702 0.3411 0.0040  -0.0742 -0.0043 14 ILE B CD1 
71  N N   . CYS A 17 ? 0.1536 0.5105 0.3688 -0.0190 -0.0672 0.0607  15 CYS B N   
72  C CA  . CYS A 17 ? 0.1605 0.5243 0.3766 -0.0370 -0.0679 0.0690  15 CYS B CA  
73  C C   . CYS A 17 ? 0.2251 0.6296 0.4519 -0.0324 -0.0572 0.0832  15 CYS B C   
74  O O   . CYS A 17 ? 0.2204 0.6319 0.4455 -0.0475 -0.0569 0.0902  15 CYS B O   
75  C CB  . CYS A 17 ? 0.1667 0.5337 0.3870 -0.0444 -0.0719 0.0738  15 CYS B CB  
76  S SG  . CYS A 17 ? 0.2843 0.6080 0.4878 -0.0595 -0.0808 0.0582  15 CYS B SG  
77  N N   . ASP A 18 ? 0.1673 0.5999 0.4072 -0.0110 -0.0458 0.0875  16 ASP B N   
78  C CA  . ASP A 18 ? 0.1758 0.6524 0.4305 -0.0051 -0.0279 0.0995  16 ASP B CA  
79  C C   . ASP A 18 ? 0.1968 0.6452 0.4138 -0.0087 -0.0225 0.0930  16 ASP B C   
80  O O   . ASP A 18 ? 0.2137 0.6746 0.4234 -0.0192 -0.0123 0.1018  16 ASP B O   
81  C CB  . ASP A 18 ? 0.1818 0.6801 0.4569 0.0222  -0.0114 0.1009  16 ASP B CB  
82  C CG  . ASP A 18 ? 0.2641 0.7962 0.5522 0.0299  0.0161  0.1083  16 ASP B CG  
83  O OD1 . ASP A 18 ? 0.2063 0.7677 0.5232 0.0220  0.0207  0.1201  16 ASP B OD1 
84  O OD2 . ASP A 18 ? 0.2871 0.7894 0.5401 0.0418  0.0333  0.0965  16 ASP B OD2 
85  N N   . TYR A 19 ? 0.2019 0.6034 0.3899 -0.0013 -0.0304 0.0770  17 TYR B N   
86  C CA  . TYR A 19 ? 0.2284 0.5907 0.3756 -0.0078 -0.0346 0.0707  17 TYR B CA  
87  C C   . TYR A 19 ? 0.2254 0.5837 0.3733 -0.0336 -0.0499 0.0796  17 TYR B C   
88  O O   . TYR A 19 ? 0.2545 0.6067 0.3776 -0.0442 -0.0459 0.0880  17 TYR B O   
89  C CB  . TYR A 19 ? 0.2320 0.5473 0.3590 0.0025  -0.0460 0.0521  17 TYR B CB  
90  C CG  . TYR A 19 ? 0.2663 0.5410 0.3516 -0.0038 -0.0553 0.0473  17 TYR B CG  
91  C CD1 . TYR A 19 ? 0.2636 0.5181 0.3497 -0.0219 -0.0775 0.0499  17 TYR B CD1 
92  C CD2 . TYR A 19 ? 0.3551 0.6108 0.3993 0.0070  -0.0422 0.0415  17 TYR B CD2 
93  C CE1 . TYR A 19 ? 0.3062 0.5235 0.3554 -0.0285 -0.0914 0.0496  17 TYR B CE1 
94  C CE2 . TYR A 19 ? 0.3618 0.5762 0.3594 -0.0024 -0.0558 0.0391  17 TYR B CE2 
95  C CZ  . TYR A 19 ? 0.3446 0.5422 0.3468 -0.0198 -0.0820 0.0450  17 TYR B CZ  
96  O OH  . TYR A 19 ? 0.4396 0.5954 0.3978 -0.0300 -0.1015 0.0466  17 TYR B OH  
97  N N   . LEU A 20 ? 0.2092 0.5672 0.3823 -0.0450 -0.0654 0.0777  18 LEU B N   
98  C CA  . LEU A 20 ? 0.2542 0.6070 0.4341 -0.0689 -0.0781 0.0845  18 LEU B CA  
99  C C   . LEU A 20 ? 0.2246 0.6189 0.4164 -0.0825 -0.0674 0.1030  18 LEU B C   
100 O O   . LEU A 20 ? 0.2928 0.6778 0.4741 -0.0993 -0.0713 0.1117  18 LEU B O   
101 C CB  . LEU A 20 ? 0.2443 0.5672 0.4358 -0.0747 -0.0857 0.0714  18 LEU B CB  
102 C CG  . LEU A 20 ? 0.2024 0.4860 0.3920 -0.0670 -0.0954 0.0530  18 LEU B CG  
103 C CD1 . LEU A 20 ? 0.2643 0.5205 0.4608 -0.0714 -0.0923 0.0379  18 LEU B CD1 
104 C CD2 . LEU A 20 ? 0.2223 0.4769 0.4045 -0.0725 -0.1115 0.0519  18 LEU B CD2 
105 N N   . ARG A 21 ? 0.1935 0.6277 0.4079 -0.0751 -0.0547 0.1089  19 ARG B N   
106 C CA  . ARG A 21 ? 0.2023 0.6701 0.4300 -0.0862 -0.0425 0.1242  19 ARG B CA  
107 C C   . ARG A 21 ? 0.2305 0.7064 0.4378 -0.0888 -0.0262 0.1331  19 ARG B C   
108 O O   . ARG A 21 ? 0.3308 0.8146 0.5360 -0.1090 -0.0231 0.1454  19 ARG B O   
109 C CB  . ARG A 21 ? 0.2014 0.6959 0.4536 -0.0722 -0.0320 0.1266  19 ARG B CB  
110 C CG  . ARG A 21 ? 0.2293 0.7558 0.5011 -0.0831 -0.0210 0.1401  19 ARG B CG  
111 C CD  . ARG A 21 ? 0.2360 0.7871 0.5392 -0.0680 -0.0154 0.1421  19 ARG B CD  
112 N NE  . ARG A 21 ? 0.2172 0.7891 0.5320 -0.0435 0.0026  0.1405  19 ARG B NE  
113 C CZ  . ARG A 21 ? 0.2323 0.8359 0.5583 -0.0368 0.0307  0.1461  19 ARG B CZ  
114 N NH1 . ARG A 21 ? 0.2500 0.8700 0.5779 -0.0552 0.0429  0.1556  19 ARG B NH1 
115 N NH2 . ARG A 21 ? 0.2668 0.8803 0.5986 -0.0117 0.0506  0.1408  19 ARG B NH2 
116 N N   . ARG A 22 ? 0.2508 0.7081 0.4302 -0.0680 -0.0134 0.1241  20 ARG B N   
117 C CA  . ARG A 22 ? 0.2975 0.7421 0.4368 -0.0691 0.0069  0.1278  20 ARG B CA  
118 C C   . ARG A 22 ? 0.3859 0.7755 0.4741 -0.0823 -0.0107 0.1270  20 ARG B C   
119 O O   . ARG A 22 ? 0.3767 0.7536 0.4284 -0.0952 -0.0004 0.1366  20 ARG B O   
120 C CB  . ARG A 22 ? 0.3253 0.7661 0.4488 -0.0437 0.0296  0.1166  20 ARG B CB  
121 C CG  . ARG A 22 ? 0.3920 0.8858 0.5714 -0.0264 0.0474  0.1190  20 ARG B CG  
122 C CD  . ARG A 22 ? 0.5113 0.9961 0.6757 -0.0007 0.0740  0.1069  20 ARG B CD  
123 N NE  . ARG A 22 ? 0.6546 1.0799 0.7646 0.0067  0.0623  0.0902  20 ARG B NE  
124 C CZ  . ARG A 22 ? 0.6858 1.0933 0.8033 0.0219  0.0471  0.0784  20 ARG B CZ  
125 N NH1 . ARG A 22 ? 0.6897 1.1305 0.8595 0.0311  0.0413  0.0827  20 ARG B NH1 
126 N NH2 . ARG A 22 ? 0.6876 1.0427 0.7596 0.0262  0.0363  0.0632  20 ARG B NH2 
127 N N   . HIS A 23 ? 0.3615 0.7161 0.4469 -0.0797 -0.0373 0.1162  21 HIS B N   
128 C CA  . HIS A 23 ? 0.3684 0.6701 0.4116 -0.0885 -0.0576 0.1157  21 HIS B CA  
129 C C   . HIS A 23 ? 0.3718 0.6577 0.4336 -0.1077 -0.0825 0.1223  21 HIS B C   
130 O O   . HIS A 23 ? 0.4003 0.6450 0.4323 -0.1166 -0.1009 0.1271  21 HIS B O   
131 C CB  . HIS A 23 ? 0.4480 0.7127 0.4730 -0.0718 -0.0708 0.0981  21 HIS B CB  
132 C CG  . HIS A 23 ? 0.5115 0.7650 0.4928 -0.0577 -0.0513 0.0910  21 HIS B CG  
133 N ND1 . HIS A 23 ? 0.4904 0.7726 0.4888 -0.0383 -0.0263 0.0831  21 HIS B ND1 
134 C CD2 . HIS A 23 ? 0.6315 0.8433 0.5504 -0.0608 -0.0539 0.0897  21 HIS B CD2 
135 C CE1 . HIS A 23 ? 0.5947 0.8535 0.5451 -0.0294 -0.0103 0.0751  21 HIS B CE1 
136 N NE2 . HIS A 23 ? 0.6882 0.9033 0.5853 -0.0441 -0.0267 0.0786  21 HIS B NE2 
137 N N   . GLY A 24 ? 0.3743 0.7455 0.6235 -0.2391 -0.0089 0.1668  22 GLY B N   
138 C CA  . GLY A 24 ? 0.4100 0.7012 0.6640 -0.2383 -0.0344 0.2024  22 GLY B CA  
139 C C   . GLY A 24 ? 0.4323 0.6804 0.6675 -0.2114 -0.0501 0.2222  22 GLY B C   
140 O O   . GLY A 24 ? 0.3491 0.6209 0.5771 -0.1864 -0.0456 0.1975  22 GLY B O   
141 N N   . ARG A 25 ? 0.4648 0.6469 0.6932 -0.2106 -0.0681 0.2615  23 ARG B N   
142 C CA  . ARG A 25 ? 0.3930 0.5268 0.6175 -0.1788 -0.0839 0.2792  23 ARG B CA  
143 C C   . ARG A 25 ? 0.3666 0.5506 0.5598 -0.1743 -0.0790 0.2789  23 ARG B C   
144 O O   . ARG A 25 ? 0.4330 0.6613 0.5888 -0.1996 -0.0751 0.2914  23 ARG B O   
145 C CB  . ARG A 25 ? 0.4562 0.5425 0.6799 -0.1801 -0.1011 0.3145  23 ARG B CB  
146 C CG  . ARG A 25 ? 0.6165 0.6296 0.8709 -0.1687 -0.1074 0.3074  23 ARG B CG  
147 C CD  . ARG A 25 ? 0.7394 0.7171 0.9961 -0.1808 -0.1187 0.3387  23 ARG B CD  
148 N NE  . ARG A 25 ? 0.8406 0.7967 1.1069 -0.1534 -0.1295 0.3528  23 ARG B NE  
149 C CZ  . ARG A 25 ? 0.8792 0.7912 1.1669 -0.1150 -0.1262 0.3301  23 ARG B CZ  
150 N NH1 . ARG A 25 ? 0.8893 0.7663 1.1815 -0.0982 -0.1155 0.2928  23 ARG B NH1 
151 N NH2 . ARG A 25 ? 0.9042 0.8101 1.2063 -0.0957 -0.1324 0.3428  23 ARG B NH2 
152 N N   . SER A 26 ? 0.3188 0.4889 0.5190 -0.1390 -0.0795 0.2567  24 SER B N   
153 C CA  . SER A 26 ? 0.3579 0.5686 0.5268 -0.1310 -0.0757 0.2465  24 SER B CA  
154 C C   . SER A 26 ? 0.3246 0.4917 0.5049 -0.0910 -0.0863 0.2444  24 SER B C   
155 O O   . SER A 26 ? 0.3160 0.4270 0.5229 -0.0616 -0.0874 0.2295  24 SER B O   
156 C CB  . SER A 26 ? 0.3375 0.5966 0.4969 -0.1252 -0.0552 0.1915  24 SER B CB  
157 O OG  . SER A 26 ? 0.3014 0.6088 0.4637 -0.1595 -0.0401 0.1880  24 SER B OG  
158 N N   . THR A 27 ? 0.3723 0.5659 0.5308 -0.0929 -0.0929 0.2580  25 THR B N   
159 C CA  . THR A 27 ? 0.3015 0.4663 0.4732 -0.0599 -0.0914 0.2365  25 THR B CA  
160 C C   . THR A 27 ? 0.2795 0.4652 0.4301 -0.0425 -0.0840 0.1990  25 THR B C   
161 O O   . THR A 27 ? 0.2841 0.5092 0.4098 -0.0572 -0.0710 0.1705  25 THR B O   
162 C CB  . THR A 27 ? 0.2831 0.4658 0.4520 -0.0730 -0.1002 0.2547  25 THR B CB  
163 O OG1 . THR A 27 ? 0.2855 0.5241 0.4083 -0.1012 -0.1024 0.2573  25 THR B OG1 
164 C CG2 . THR A 27 ? 0.3358 0.5078 0.5306 -0.0866 -0.1144 0.2878  25 THR B CG2 
165 N N   . VAL A 28 ? 0.2160 0.3606 0.3704 -0.0144 -0.0751 0.1728  26 VAL B N   
166 C CA  . VAL A 28 ? 0.2261 0.3804 0.3612 0.0018  -0.0690 0.1356  26 VAL B CA  
167 C C   . VAL A 28 ? 0.1711 0.3852 0.2753 -0.0219 -0.0734 0.1359  26 VAL B C   
168 O O   . VAL A 28 ? 0.1901 0.4194 0.2715 -0.0194 -0.0614 0.0956  26 VAL B O   
169 C CB  . VAL A 28 ? 0.1570 0.2578 0.2896 0.0268  -0.0589 0.1135  26 VAL B CB  
170 C CG1 . VAL A 28 ? 0.1707 0.2743 0.3129 0.0181  -0.0611 0.1345  26 VAL B CG1 
171 C CG2 . VAL A 28 ? 0.1549 0.2526 0.2677 0.0444  -0.0550 0.0767  26 VAL B CG2 
172 N N   . GLN A 29 ? 0.2012 0.4281 0.2955 -0.0460 -0.0816 0.1684  27 GLN B N   
173 C CA  . GLN A 29 ? 0.2770 0.5489 0.3289 -0.0729 -0.0846 0.1642  27 GLN B CA  
174 C C   . GLN A 29 ? 0.3732 0.6955 0.3895 -0.0988 -0.0727 0.1468  27 GLN B C   
175 O O   . GLN A 29 ? 0.3112 0.6552 0.2949 -0.1032 -0.0575 0.1047  27 GLN B O   
176 C CB  . GLN A 29 ? 0.3524 0.6254 0.4089 -0.0949 -0.0974 0.2013  27 GLN B CB  
177 C CG  . GLN A 29 ? 0.2502 0.4910 0.3384 -0.0747 -0.1015 0.2028  27 GLN B CG  
178 C CD  . GLN A 29 ? 0.3252 0.5218 0.4645 -0.0483 -0.0961 0.2097  27 GLN B CD  
179 O OE1 . GLN A 29 ? 0.3351 0.5177 0.4896 -0.0455 -0.0937 0.2176  27 GLN B OE1 
180 N NE2 . GLN A 29 ? 0.3467 0.5243 0.5108 -0.0322 -0.0931 0.2047  27 GLN B NE2 
181 N N   . ASP A 30 ? 0.3339 0.6614 0.3625 -0.1131 -0.0704 0.1704  28 ASP B N   
182 C CA  . ASP A 30 ? 0.3629 0.7299 0.3751 -0.1348 -0.0469 0.1481  28 ASP B CA  
183 C C   . ASP A 30 ? 0.3369 0.7069 0.3626 -0.1075 -0.0254 0.0872  28 ASP B C   
184 O O   . ASP A 30 ? 0.3510 0.7627 0.3532 -0.1191 -0.0035 0.0514  28 ASP B O   
185 C CB  . ASP A 30 ? 0.3417 0.6973 0.3844 -0.1460 -0.0491 0.1794  28 ASP B CB  
186 C CG  . ASP A 30 ? 0.5040 0.8606 0.5296 -0.1792 -0.0695 0.2415  28 ASP B CG  
187 O OD1 . ASP A 30 ? 0.5602 0.9441 0.5457 -0.2003 -0.0757 0.2410  28 ASP B OD1 
188 O OD2 . ASP A 30 ? 0.4856 0.8015 0.5479 -0.1734 -0.0837 0.2701  28 ASP B OD2 
189 N N   . ILE A 31 ? 0.2876 0.6108 0.3516 -0.0706 -0.0320 0.0758  29 ILE B N   
190 C CA  . ILE A 31 ? 0.1781 0.4965 0.2635 -0.0425 -0.0203 0.0273  29 ILE B CA  
191 C C   . ILE A 31 ? 0.2117 0.5240 0.2749 -0.0249 -0.0153 -0.0091 29 ILE B C   
192 O O   . ILE A 31 ? 0.2333 0.5733 0.2961 -0.0200 0.0019  -0.0501 29 ILE B O   
193 C CB  . ILE A 31 ? 0.1530 0.4153 0.2709 -0.0132 -0.0334 0.0304  29 ILE B CB  
194 C CG1 . ILE A 31 ? 0.1857 0.4429 0.3265 -0.0309 -0.0388 0.0613  29 ILE B CG1 
195 C CG2 . ILE A 31 ? 0.1373 0.3951 0.2738 0.0140  -0.0294 -0.0139 29 ILE B CG2 
196 C CD1 . ILE A 31 ? 0.2172 0.4050 0.3781 -0.0063 -0.0525 0.0698  29 ILE B CD1 
197 N N   . PHE A 32 ? 0.1940 0.4722 0.2426 -0.0170 -0.0289 0.0049  30 PHE B N   
198 C CA  . PHE A 32 ? 0.2012 0.4637 0.2308 -0.0019 -0.0251 -0.0306 30 PHE B CA  
199 C C   . PHE A 32 ? 0.2583 0.5630 0.2489 -0.0273 -0.0113 -0.0548 30 PHE B C   
200 O O   . PHE A 32 ? 0.2570 0.5534 0.2386 -0.0138 -0.0004 -0.0979 30 PHE B O   
201 C CB  . PHE A 32 ? 0.1635 0.3792 0.1931 0.0115  -0.0403 -0.0128 30 PHE B CB  
202 C CG  . PHE A 32 ? 0.2560 0.4911 0.2636 -0.0156 -0.0516 0.0129  30 PHE B CG  
203 C CD1 . PHE A 32 ? 0.3052 0.5527 0.2761 -0.0316 -0.0498 -0.0112 30 PHE B CD1 
204 C CD2 . PHE A 32 ? 0.2190 0.4558 0.2475 -0.0235 -0.0672 0.0611  30 PHE B CD2 
205 C CE1 . PHE A 32 ? 0.3197 0.5871 0.2695 -0.0604 -0.0664 0.0130  30 PHE B CE1 
206 C CE2 . PHE A 32 ? 0.2014 0.4560 0.2181 -0.0473 -0.0819 0.0873  30 PHE B CE2 
207 C CZ  . PHE A 32 ? 0.2881 0.5596 0.2643 -0.0677 -0.0831 0.0647  30 PHE B CZ  
208 N N   . LYS A 33 ? 0.2842 0.6289 0.2460 -0.0653 -0.0120 -0.0279 31 LYS B N   
209 C CA  . LYS A 33 ? 0.3117 0.6936 0.2227 -0.0936 0.0035  -0.0547 31 LYS B CA  
210 C C   . LYS A 33 ? 0.4188 0.8376 0.3405 -0.0906 0.0362  -0.0975 31 LYS B C   
211 O O   . LYS A 33 ? 0.4492 0.8689 0.3573 -0.0894 0.0534  -0.1396 31 LYS B O   
212 C CB  . LYS A 33 ? 0.4155 0.8309 0.2804 -0.1406 -0.0087 -0.0117 31 LYS B CB  
213 C CG  . LYS A 33 ? 0.4588 0.8421 0.3335 -0.1409 -0.0406 0.0310  31 LYS B CG  
214 C CD  . LYS A 33 ? 0.4547 0.8547 0.3117 -0.1798 -0.0543 0.0774  31 LYS B CD  
215 C CE  . LYS A 33 ? 0.4695 0.8388 0.3598 -0.1706 -0.0816 0.1182  31 LYS B CE  
216 N NZ  . LYS A 33 ? 0.5672 0.9521 0.4493 -0.2043 -0.0992 0.1604  31 LYS B NZ  
217 N N   . GLU A 34 ? 0.3221 0.7611 0.2834 -0.0888 0.0421  -0.0829 32 GLU B N   
218 C CA  . GLU A 34 ? 0.3847 0.8718 0.3709 -0.0878 0.0742  -0.1214 32 GLU B CA  
219 C C   . GLU A 34 ? 0.3851 0.8400 0.4178 -0.0400 0.0743  -0.1651 32 GLU B C   
220 O O   . GLU A 34 ? 0.4460 0.8990 0.4883 -0.0321 0.0877  -0.1998 32 GLU B O   
221 C CB  . GLU A 34 ? 0.3780 0.8936 0.4001 -0.1028 0.0760  -0.0907 32 GLU B CB  
222 C CG  . GLU A 34 ? 0.4844 1.0289 0.5516 -0.0935 0.0974  -0.1250 32 GLU B CG  
223 C CD  . GLU A 34 ? 0.6392 1.2246 0.6865 -0.1358 0.1149  -0.1079 32 GLU B CD  
224 O OE1 . GLU A 34 ? 0.6936 1.2824 0.6815 -0.1725 0.1100  -0.0760 32 GLU B OE1 
225 O OE2 . GLU A 34 ? 0.7561 1.3674 0.8471 -0.1326 0.1306  -0.1240 32 GLU B OE2 
226 N N   . LEU A 35 ? 0.3017 0.7078 0.3614 -0.0092 0.0499  -0.1518 33 LEU B N   
227 C CA  . LEU A 35 ? 0.3012 0.6642 0.3977 0.0326  0.0406  -0.1798 33 LEU B CA  
228 C C   . LEU A 35 ? 0.3687 0.6768 0.4386 0.0448  0.0335  -0.1953 33 LEU B C   
229 O O   . LEU A 35 ? 0.3944 0.6562 0.4846 0.0691  0.0231  -0.2041 33 LEU B O   
230 C CB  . LEU A 35 ? 0.2634 0.5881 0.3880 0.0547  0.0161  -0.1559 33 LEU B CB  
231 C CG  . LEU A 35 ? 0.2918 0.6500 0.4517 0.0409  0.0146  -0.1338 33 LEU B CG  
232 C CD1 . LEU A 35 ? 0.2463 0.5380 0.4162 0.0617  -0.0118 -0.1158 33 LEU B CD1 
233 C CD2 . LEU A 35 ? 0.3746 0.7728 0.5624 0.0341  0.0320  -0.1559 33 LEU B CD2 
234 N N   . LYS A 36 ? 0.3719 0.6831 0.3930 0.0217  0.0363  -0.1897 34 LYS B N   
235 C CA  . LYS A 36 ? 0.3755 0.6326 0.3733 0.0271  0.0287  -0.1976 34 LYS B CA  
236 C C   . LYS A 36 ? 0.4042 0.5965 0.4191 0.0567  0.0078  -0.1851 34 LYS B C   
237 O O   . LYS A 36 ? 0.4454 0.5926 0.4674 0.0715  0.0051  -0.1929 34 LYS B O   
238 C CB  . LYS A 36 ? 0.3838 0.6363 0.3811 0.0271  0.0464  -0.2291 34 LYS B CB  
239 C CG  . LYS A 36 ? 0.4477 0.7585 0.4211 -0.0055 0.0698  -0.2410 34 LYS B CG  
240 C CD  . LYS A 36 ? 0.5677 0.8696 0.5440 0.0013  0.0902  -0.2778 34 LYS B CD  
241 C CE  . LYS A 36 ? 0.6485 1.0127 0.6347 -0.0150 0.1184  -0.2954 34 LYS B CE  
242 N NZ  . LYS A 36 ? 0.7369 1.0909 0.7179 -0.0092 0.1417  -0.3343 34 LYS B NZ  
243 N N   . LEU A 37 ? 0.3031 0.4904 0.3195 0.0626  -0.0055 -0.1620 35 LEU B N   
244 C CA  . LEU A 37 ? 0.2820 0.4052 0.3043 0.0825  -0.0228 -0.1430 35 LEU B CA  
245 C C   . LEU A 37 ? 0.2676 0.3825 0.2672 0.0692  -0.0308 -0.1193 35 LEU B C   
246 O O   . LEU A 37 ? 0.3160 0.4718 0.3044 0.0400  -0.0307 -0.0990 35 LEU B O   
247 C CB  . LEU A 37 ? 0.2527 0.3632 0.2983 0.0940  -0.0323 -0.1245 35 LEU B CB  
248 C CG  . LEU A 37 ? 0.3335 0.4570 0.4032 0.0979  -0.0304 -0.1383 35 LEU B CG  
249 C CD1 . LEU A 37 ? 0.2649 0.3887 0.3499 0.0987  -0.0375 -0.1233 35 LEU B CD1 
250 C CD2 . LEU A 37 ? 0.3790 0.4574 0.4439 0.1060  -0.0371 -0.1385 35 LEU B CD2 
251 N N   . GLU A 38 ? 0.3175 0.3792 0.3145 0.0829  -0.0393 -0.1094 36 GLU B N   
252 C CA  . GLU A 38 ? 0.3168 0.3767 0.3133 0.0668  -0.0455 -0.0740 36 GLU B CA  
253 C C   . GLU A 38 ? 0.2432 0.3192 0.2653 0.0682  -0.0475 -0.0412 36 GLU B C   
254 O O   . GLU A 38 ? 0.2400 0.2981 0.2738 0.0873  -0.0465 -0.0454 36 GLU B O   
255 C CB  . GLU A 38 ? 0.3306 0.3313 0.3218 0.0805  -0.0474 -0.0718 36 GLU B CB  
256 C CG  . GLU A 38 ? 0.5492 0.5200 0.5152 0.0758  -0.0478 -0.1000 36 GLU B CG  
257 C CD  . GLU A 38 ? 0.6458 0.6404 0.6029 0.0420  -0.0525 -0.0901 36 GLU B CD  
258 O OE1 . GLU A 38 ? 0.6529 0.6798 0.6304 0.0274  -0.0577 -0.0553 36 GLU B OE1 
259 O OE2 . GLU A 38 ? 0.7651 0.7455 0.6975 0.0295  -0.0532 -0.1178 36 GLU B OE2 
260 N N   . LYS A 39 ? 0.1531 0.2745 0.2404 0.0416  0.0004  0.0198  37 LYS B N   
261 C CA  . LYS A 39 ? 0.1795 0.2837 0.2352 0.0353  0.0064  0.0345  37 LYS B CA  
262 C C   . LYS A 39 ? 0.1859 0.2819 0.2522 0.0275  0.0100  0.0431  37 LYS B C   
263 O O   . LYS A 39 ? 0.1877 0.2805 0.2422 0.0200  0.0157  0.0492  37 LYS B O   
264 C CB  . LYS A 39 ? 0.1808 0.2720 0.2232 0.0448  -0.0050 0.0321  37 LYS B CB  
265 C CG  . LYS A 39 ? 0.2467 0.3144 0.2721 0.0410  -0.0071 0.0448  37 LYS B CG  
266 C CD  . LYS A 39 ? 0.2488 0.2968 0.2668 0.0545  -0.0305 0.0414  37 LYS B CD  
267 C CE  . LYS A 39 ? 0.3731 0.4263 0.4431 0.0636  -0.0405 0.0195  37 LYS B CE  
268 N NZ  . LYS A 39 ? 0.3906 0.4383 0.4896 0.0565  -0.0348 0.0153  37 LYS B NZ  
269 N N   . SER A 40 ? 0.1766 0.2713 0.2646 0.0268  0.0085  0.0420  38 SER B N   
270 C CA  A SER A 40 ? 0.1833 0.2732 0.2649 0.0149  0.0173  0.0499  38 SER B CA  
271 C CA  B SER A 40 ? 0.1910 0.2809 0.2730 0.0147  0.0172  0.0504  38 SER B CA  
272 C C   . SER A 40 ? 0.1851 0.2740 0.2498 0.0093  0.0131  0.0610  38 SER B C   
273 O O   . SER A 40 ? 0.1895 0.2787 0.2325 0.0015  0.0174  0.0633  38 SER B O   
274 C CB  A SER A 40 ? 0.2113 0.2985 0.3160 0.0089  0.0229  0.0503  38 SER B CB  
275 C CB  B SER A 40 ? 0.2211 0.3071 0.3248 0.0082  0.0218  0.0532  38 SER B CB  
276 O OG  A SER A 40 ? 0.2012 0.2830 0.3233 0.0112  0.0118  0.0581  38 SER B OG  
277 O OG  B SER A 40 ? 0.1868 0.2777 0.3191 0.0119  0.0260  0.0360  38 SER B OG  
278 N N   . THR A 41 ? 0.1888 0.2796 0.2703 0.0149  0.0005  0.0613  39 THR B N   
279 C CA  . THR A 41 ? 0.1678 0.2571 0.2462 0.0137  -0.0124 0.0656  39 THR B CA  
280 C C   . THR A 41 ? 0.1789 0.2806 0.2522 0.0128  -0.0058 0.0547  39 THR B C   
281 O O   . THR A 41 ? 0.2052 0.3067 0.2690 0.0098  -0.0125 0.0544  39 THR B O   
282 C CB  . THR A 41 ? 0.2274 0.3205 0.3473 0.0226  -0.0305 0.0574  39 THR B CB  
283 O OG1 . THR A 41 ? 0.2436 0.3193 0.3790 0.0219  -0.0385 0.0696  39 THR B OG1 
284 C CG2 . THR A 41 ? 0.2597 0.3521 0.3922 0.0255  -0.0521 0.0543  39 THR B CG2 
285 N N   . VAL A 42 ? 0.1251 0.2366 0.2044 0.0141  0.0064  0.0455  40 VAL B N   
286 C CA  . VAL A 42 ? 0.1454 0.2623 0.2238 0.0077  0.0167  0.0405  40 VAL B CA  
287 C C   . VAL A 42 ? 0.2077 0.3129 0.2701 0.0032  0.0198  0.0458  40 VAL B C   
288 O O   . VAL A 42 ? 0.1668 0.2759 0.2385 -0.0012 0.0188  0.0388  40 VAL B O   
289 C CB  . VAL A 42 ? 0.1739 0.2970 0.2459 0.0044  0.0323  0.0375  40 VAL B CB  
290 C CG1 . VAL A 42 ? 0.1538 0.2741 0.2255 -0.0085 0.0476  0.0398  40 VAL B CG1 
291 C CG2 . VAL A 42 ? 0.1431 0.2912 0.2410 0.0080  0.0326  0.0185  40 VAL B CG2 
292 N N   . ASN A 43 ? 0.1533 0.2487 0.2045 0.0052  0.0217  0.0502  41 ASN B N   
293 C CA  . ASN A 43 ? 0.1739 0.2656 0.2261 0.0018  0.0239  0.0441  41 ASN B CA  
294 C C   . ASN A 43 ? 0.2102 0.3128 0.2516 -0.0029 0.0217  0.0377  41 ASN B C   
295 O O   . ASN A 43 ? 0.1980 0.3074 0.2462 -0.0058 0.0218  0.0239  41 ASN B O   
296 C CB  . ASN A 43 ? 0.1744 0.2590 0.2333 0.0059  0.0242  0.0397  41 ASN B CB  
297 C CG  . ASN A 43 ? 0.2325 0.2981 0.2990 0.0102  0.0170  0.0424  41 ASN B CG  
298 O OD1 . ASN A 43 ? 0.2100 0.2660 0.2801 0.0051  0.0173  0.0472  41 ASN B OD1 
299 N ND2 . ASN A 43 ? 0.1959 0.2515 0.2686 0.0196  0.0068  0.0396  41 ASN B ND2 
300 N N   . ARG A 44 ? 0.1820 0.2838 0.2047 -0.0044 0.0179  0.0476  42 ARG B N   
301 C CA  . ARG A 44 ? 0.2385 0.3440 0.2287 -0.0110 0.0127  0.0487  42 ARG B CA  
302 C C   . ARG A 44 ? 0.2732 0.3856 0.2707 -0.0064 -0.0031 0.0377  42 ARG B C   
303 O O   . ARG A 44 ? 0.2321 0.3565 0.2161 -0.0090 -0.0060 0.0218  42 ARG B O   
304 C CB  . ARG A 44 ? 0.2074 0.2968 0.1749 -0.0142 0.0034  0.0724  42 ARG B CB  
305 C CG  . ARG A 44 ? 0.2944 0.3745 0.2095 -0.0207 -0.0125 0.0857  42 ARG B CG  
306 C CD  . ARG A 44 ? 0.3935 0.4436 0.2953 -0.0247 -0.0262 0.1179  42 ARG B CD  
307 N NE  . ARG A 44 ? 0.5011 0.5504 0.4262 -0.0325 -0.0010 0.1214  42 ARG B NE  
308 C CZ  . ARG A 44 ? 0.5283 0.5675 0.4994 -0.0255 -0.0075 0.1264  42 ARG B CZ  
309 N NH1 . ARG A 44 ? 0.4555 0.4844 0.4544 -0.0124 -0.0367 0.1293  42 ARG B NH1 
310 N NH2 . ARG A 44 ? 0.5267 0.5701 0.5252 -0.0307 0.0136  0.1214  42 ARG B NH2 
311 N N   . HIS A 45 ? 0.2088 0.3195 0.2355 0.0001  -0.0126 0.0388  43 HIS B N   
312 C CA  . HIS A 45 ? 0.2194 0.3407 0.2715 0.0038  -0.0271 0.0217  43 HIS B CA  
313 C C   . HIS A 45 ? 0.2178 0.3486 0.3002 -0.0007 -0.0134 0.0042  43 HIS B C   
314 O O   . HIS A 45 ? 0.2030 0.3452 0.3035 0.0008  -0.0252 -0.0159 43 HIS B O   
315 C CB  . HIS A 45 ? 0.2171 0.3413 0.3062 0.0101  -0.0388 0.0186  43 HIS B CB  
316 C CG  . HIS A 45 ? 0.2693 0.3781 0.3419 0.0171  -0.0674 0.0323  43 HIS B CG  
317 N ND1 . HIS A 45 ? 0.3233 0.4237 0.3754 0.0227  -0.1008 0.0325  43 HIS B ND1 
318 C CD2 . HIS A 45 ? 0.3737 0.4683 0.4456 0.0190  -0.0715 0.0490  43 HIS B CD2 
319 C CE1 . HIS A 45 ? 0.4139 0.4891 0.4498 0.0266  -0.1256 0.0548  43 HIS B CE1 
320 N NE2 . HIS A 45 ? 0.4450 0.5174 0.5002 0.0239  -0.1069 0.0636  43 HIS B NE2 
321 N N   . LEU A 46 ? 0.1520 0.2745 0.2433 -0.0054 0.0063  0.0116  44 LEU B N   
322 C CA  . LEU A 46 ? 0.1605 0.2803 0.2834 -0.0115 0.0149  0.0019  44 LEU B CA  
323 C C   . LEU A 46 ? 0.2460 0.3745 0.3702 -0.0100 0.0080  -0.0182 44 LEU B C   
324 O O   . LEU A 46 ? 0.2199 0.3579 0.3814 -0.0114 0.0026  -0.0406 44 LEU B O   
325 C CB  . LEU A 46 ? 0.1580 0.2561 0.2759 -0.0150 0.0275  0.0206  44 LEU B CB  
326 C CG  . LEU A 46 ? 0.1733 0.2682 0.2912 -0.0220 0.0408  0.0332  44 LEU B CG  
327 C CD1 . LEU A 46 ? 0.2243 0.2947 0.3114 -0.0222 0.0452  0.0552  44 LEU B CD1 
328 C CD2 . LEU A 46 ? 0.2164 0.3134 0.3739 -0.0356 0.0529  0.0263  44 LEU B CD2 
329 N N   . TYR A 47 ? 0.2053 0.3360 0.2962 -0.0087 0.0105  -0.0164 45 TYR B N   
330 C CA  . TYR A 47 ? 0.2048 0.3544 0.2952 -0.0101 0.0106  -0.0442 45 TYR B CA  
331 C C   . TYR A 47 ? 0.2657 0.4347 0.3323 -0.0085 -0.0043 -0.0605 45 TYR B C   
332 O O   . TYR A 47 ? 0.2860 0.4752 0.3755 -0.0073 -0.0108 -0.0942 45 TYR B O   
333 C CB  . TYR A 47 ? 0.2105 0.3653 0.2772 -0.0140 0.0245  -0.0448 45 TYR B CB  
334 C CG  . TYR A 47 ? 0.2043 0.3452 0.3164 -0.0107 0.0278  -0.0482 45 TYR B CG  
335 C CD1 . TYR A 47 ? 0.1949 0.3112 0.3038 -0.0067 0.0269  -0.0212 45 TYR B CD1 
336 C CD2 . TYR A 47 ? 0.2372 0.3866 0.4009 -0.0091 0.0242  -0.0806 45 TYR B CD2 
337 C CE1 . TYR A 47 ? 0.1356 0.2318 0.2778 -0.0009 0.0195  -0.0215 45 TYR B CE1 
338 C CE2 . TYR A 47 ? 0.2382 0.3653 0.4486 -0.0032 0.0159  -0.0815 45 TYR B CE2 
339 C CZ  . TYR A 47 ? 0.1524 0.2495 0.3464 0.0012  0.0113  -0.0488 45 TYR B CZ  
340 O OH  . TYR A 47 ? 0.2447 0.3139 0.4766 0.0096  -0.0064 -0.0482 45 TYR B OH  
341 N N   . SER A 48 ? 0.2372 0.3987 0.2625 -0.0066 -0.0160 -0.0398 46 SER B N   
342 C CA  . SER A 48 ? 0.2928 0.4643 0.2930 -0.0010 -0.0429 -0.0519 46 SER B CA  
343 C C   . SER A 48 ? 0.3058 0.4884 0.3711 0.0062  -0.0583 -0.0793 46 SER B C   
344 O O   . SER A 48 ? 0.2960 0.4980 0.3614 0.0118  -0.0785 -0.1102 46 SER B O   
345 C CB  . SER A 48 ? 0.2998 0.4505 0.2580 0.0022  -0.0621 -0.0211 46 SER B CB  
346 O OG  . SER A 48 ? 0.4650 0.6192 0.4077 0.0118  -0.0989 -0.0336 46 SER B OG  
347 N N   . LEU A 49 ? 0.2700 0.4428 0.3896 0.0045  -0.0482 -0.0709 47 LEU B N   
348 C CA  . LEU A 49 ? 0.2040 0.3879 0.3978 0.0047  -0.0528 -0.0970 47 LEU B CA  
349 C C   . LEU A 49 ? 0.2349 0.4255 0.4729 -0.0004 -0.0431 -0.1205 47 LEU B C   
350 O O   . LEU A 49 ? 0.2628 0.4679 0.5617 0.0007  -0.0532 -0.1523 47 LEU B O   
351 C CB  . LEU A 49 ? 0.1906 0.3653 0.4249 -0.0032 -0.0335 -0.0819 47 LEU B CB  
352 C CG  . LEU A 49 ? 0.1904 0.3672 0.4202 0.0035  -0.0467 -0.0756 47 LEU B CG  
353 C CD1 . LEU A 49 ? 0.1730 0.3453 0.4181 -0.0064 -0.0182 -0.0591 47 LEU B CD1 
354 C CD2 . LEU A 49 ? 0.2191 0.4163 0.5067 0.0118  -0.0742 -0.1122 47 LEU B CD2 
355 N N   . GLN A 50 ? 0.2330 0.4121 0.4560 -0.0054 -0.0261 -0.1083 48 GLN B N   
356 C CA  . GLN A 50 ? 0.2599 0.4425 0.5363 -0.0078 -0.0237 -0.1339 48 GLN B CA  
357 C C   . GLN A 50 ? 0.3059 0.5247 0.5735 0.0003  -0.0418 -0.1795 48 GLN B C   
358 O O   . GLN A 50 ? 0.3434 0.5793 0.6772 0.0027  -0.0523 -0.2202 48 GLN B O   
359 C CB  . GLN A 50 ? 0.2693 0.4317 0.5360 -0.0110 -0.0100 -0.1155 48 GLN B CB  
360 C CG  . GLN A 50 ? 0.3480 0.5170 0.6717 -0.0096 -0.0147 -0.1497 48 GLN B CG  
361 C CD  . GLN A 50 ? 0.4023 0.5633 0.7147 -0.0079 -0.0083 -0.1451 48 GLN B CD  
362 O OE1 . GLN A 50 ? 0.4646 0.5939 0.8210 -0.0082 -0.0128 -0.1337 48 GLN B OE1 
363 N NE2 . GLN A 50 ? 0.3507 0.5381 0.6068 -0.0073 0.0006  -0.1544 48 GLN B NE2 
364 N N   . ALA A 51 ? 0.3043 0.5350 0.4881 0.0030  -0.0455 -0.1736 49 ALA B N   
365 C CA  . ALA A 51 ? 0.3673 0.6334 0.5150 0.0070  -0.0582 -0.2131 49 ALA B CA  
366 C C   . ALA A 51 ? 0.3538 0.6332 0.5232 0.0178  -0.0903 -0.2387 49 ALA B C   
367 O O   . ALA A 51 ? 0.4341 0.7428 0.6150 0.0247  -0.1038 -0.2836 49 ALA B O   
368 C CB  . ALA A 51 ? 0.4371 0.7052 0.4773 0.0012  -0.0513 -0.1907 49 ALA B CB  
369 N N   . SER A 52 ? 0.2791 0.7340 0.6536 0.1094  0.0135  -0.2001 50 SER B N   
370 C CA  . SER A 52 ? 0.2778 0.7569 0.5996 0.1146  0.0031  -0.2503 50 SER B CA  
371 C C   . SER A 52 ? 0.2705 0.7420 0.6330 0.0805  -0.0079 -0.2979 50 SER B C   
372 O O   . SER A 52 ? 0.2794 0.7759 0.6185 0.0759  -0.0198 -0.3344 50 SER B O   
373 C CB  . SER A 52 ? 0.3023 0.7945 0.5666 0.1259  -0.0053 -0.2314 50 SER B CB  
374 O OG  . SER A 52 ? 0.3563 0.8262 0.6395 0.1001  -0.0189 -0.2136 50 SER B OG  
375 N N   . LYS A 53 ? 0.2595 0.6985 0.6907 0.0572  -0.0031 -0.2934 51 LYS B N   
376 C CA  . LYS A 53 ? 0.3036 0.7239 0.7931 0.0216  -0.0081 -0.3248 51 LYS B CA  
377 C C   . LYS A 53 ? 0.2840 0.6940 0.7563 -0.0057 -0.0140 -0.3096 51 LYS B C   
378 O O   . LYS A 53 ? 0.2727 0.6799 0.7720 -0.0262 -0.0143 -0.3338 51 LYS B O   
379 C CB  . LYS A 53 ? 0.3374 0.7887 0.8507 0.0334  -0.0153 -0.3989 51 LYS B CB  
380 C CG  . LYS A 53 ? 0.3987 0.8461 0.9235 0.0648  -0.0107 -0.4175 51 LYS B CG  
381 C CD  . LYS A 53 ? 0.4452 0.8397 1.0457 0.0451  -0.0010 -0.3981 51 LYS B CD  
382 C CE  . LYS A 53 ? 0.5294 0.9175 1.1391 0.0821  -0.0001 -0.4354 51 LYS B CE  
383 N NZ  . LYS A 53 ? 0.5497 0.8928 1.1911 0.0839  0.0162  -0.3884 51 LYS B NZ  
384 N N   . GLN A 54 ? 0.2300 0.6338 0.6608 -0.0020 -0.0186 -0.2661 52 GLN B N   
385 C CA  . GLN A 54 ? 0.2478 0.6483 0.6568 -0.0173 -0.0242 -0.2495 52 GLN B CA  
386 C C   . GLN A 54 ? 0.2187 0.5727 0.6592 -0.0419 -0.0250 -0.2068 52 GLN B C   
387 O O   . GLN A 54 ? 0.2249 0.5850 0.6714 -0.0565 -0.0225 -0.1975 52 GLN B O   
388 C CB  . GLN A 54 ? 0.2632 0.6899 0.6042 0.0097  -0.0360 -0.2401 52 GLN B CB  
389 C CG  . GLN A 54 ? 0.4491 0.9235 0.7474 0.0340  -0.0345 -0.2811 52 GLN B CG  
390 C CD  . GLN A 54 ? 0.5563 1.0457 0.7842 0.0657  -0.0444 -0.2656 52 GLN B CD  
391 O OE1 . GLN A 54 ? 0.6281 1.1215 0.8360 0.0904  -0.0432 -0.2532 52 GLN B OE1 
392 N NE2 . GLN A 54 ? 0.5423 1.0383 0.7320 0.0694  -0.0516 -0.2609 52 GLN B NE2 
393 N N   . VAL A 55 ? 0.2180 0.5330 0.6819 -0.0428 -0.0278 -0.1789 53 VAL B N   
394 C CA  . VAL A 55 ? 0.2206 0.4809 0.7035 -0.0595 -0.0300 -0.1385 53 VAL B CA  
395 C C   . VAL A 55 ? 0.2266 0.4543 0.7635 -0.0655 -0.0207 -0.1334 53 VAL B C   
396 O O   . VAL A 55 ? 0.2238 0.4722 0.7729 -0.0504 -0.0146 -0.1546 53 VAL B O   
397 C CB  . VAL A 55 ? 0.2240 0.4484 0.6546 -0.0447 -0.0548 -0.0969 53 VAL B CB  
398 C CG1 . VAL A 55 ? 0.2280 0.4796 0.5904 -0.0269 -0.0685 -0.1048 53 VAL B CG1 
399 C CG2 . VAL A 55 ? 0.2163 0.4267 0.6567 -0.0331 -0.0630 -0.0805 53 VAL B CG2 
400 N N   . PHE A 56 ? 0.2425 0.4220 0.8040 -0.0792 -0.0187 -0.1026 54 PHE B N   
401 C CA  . PHE A 56 ? 0.2556 0.3991 0.8553 -0.0770 -0.0116 -0.0928 54 PHE B CA  
402 C C   . PHE A 56 ? 0.2909 0.3876 0.8927 -0.0784 -0.0231 -0.0446 54 PHE B C   
403 O O   . PHE A 56 ? 0.2951 0.3813 0.8782 -0.0836 -0.0331 -0.0225 54 PHE B O   
404 C CB  . PHE A 56 ? 0.3874 0.5170 1.0287 -0.0872 0.0054  -0.1218 54 PHE B CB  
405 C CG  . PHE A 56 ? 0.3671 0.4690 1.0172 -0.1063 0.0130  -0.1006 54 PHE B CG  
406 C CD1 . PHE A 56 ? 0.3269 0.4614 0.9642 -0.1183 0.0159  -0.1064 54 PHE B CD1 
407 C CD2 . PHE A 56 ? 0.3877 0.4396 1.0651 -0.1093 0.0193  -0.0697 54 PHE B CD2 
408 C CE1 . PHE A 56 ? 0.3751 0.4975 1.0369 -0.1361 0.0288  -0.0789 54 PHE B CE1 
409 C CE2 . PHE A 56 ? 0.4268 0.4606 1.1192 -0.1241 0.0306  -0.0430 54 PHE B CE2 
410 C CZ  . PHE A 56 ? 0.4378 0.5082 1.1269 -0.1390 0.0372  -0.0454 54 PHE B CZ  
411 N N   . LYS A 57 ? 0.3323 0.4083 0.9606 -0.0691 -0.0241 -0.0278 55 LYS B N   
412 C CA  . LYS A 57 ? 0.3673 0.4019 0.9991 -0.0664 -0.0393 0.0146  55 LYS B CA  
413 C C   . LYS A 57 ? 0.4135 0.4189 1.0856 -0.0653 -0.0224 0.0188  55 LYS B C   
414 O O   . LYS A 57 ? 0.4172 0.4318 1.1251 -0.0637 -0.0050 -0.0101 55 LYS B O   
415 C CB  . LYS A 57 ? 0.4133 0.4502 1.0454 -0.0541 -0.0629 0.0403  55 LYS B CB  
416 C CG  . LYS A 57 ? 0.4519 0.4970 1.1315 -0.0436 -0.0506 0.0482  55 LYS B CG  
417 C CD  . LYS A 57 ? 0.4366 0.4869 1.1208 -0.0347 -0.0717 0.0811  55 LYS B CD  
418 C CE  . LYS A 57 ? 0.5009 0.5736 1.2356 -0.0229 -0.0512 0.0942  55 LYS B CE  
419 N NZ  . LYS A 57 ? 0.4912 0.6128 1.2316 -0.0119 -0.0189 0.0585  55 LYS B NZ  
420 N N   . THR A 58 ? 0.4134 0.3857 1.0835 -0.0633 -0.0306 0.0525  56 THR B N   
421 C CA  . THR A 58 ? 0.4177 0.3638 1.1217 -0.0567 -0.0204 0.0661  56 THR B CA  
422 C C   . THR A 58 ? 0.4392 0.3799 1.1450 -0.0427 -0.0463 0.1009  56 THR B C   
423 O O   . THR A 58 ? 0.4133 0.3513 1.0878 -0.0405 -0.0744 0.1186  56 THR B O   
424 C CB  . THR A 58 ? 0.4213 0.3410 1.1221 -0.0654 -0.0061 0.0799  56 THR B CB  
425 O OG1 . THR A 58 ? 0.4475 0.3560 1.1153 -0.0616 -0.0235 0.1151  56 THR B OG1 
426 C CG2 . THR A 58 ? 0.4361 0.3702 1.1414 -0.0838 0.0129  0.0482  56 THR B CG2 
427 N N   . VAL A 59 ? 0.5298 0.3968 1.2192 0.0056  -0.1232 -0.0094 57 VAL B N   
428 C CA  . VAL A 59 ? 0.5292 0.4220 1.2314 0.0339  -0.1270 -0.0124 57 VAL B CA  
429 C C   . VAL A 59 ? 0.4676 0.3252 1.1804 0.0567  -0.1492 -0.0045 57 VAL B C   
430 O O   . VAL A 59 ? 0.5610 0.3739 1.2793 0.0599  -0.1585 -0.0177 57 VAL B O   
431 C CB  . VAL A 59 ? 0.4846 0.4280 1.1919 0.0487  -0.1115 -0.0651 57 VAL B CB  
432 C CG1 . VAL A 59 ? 0.4545 0.4385 1.1230 0.0237  -0.0848 -0.0733 57 VAL B CG1 
433 C CG2 . VAL A 59 ? 0.6016 0.5256 1.3221 0.0567  -0.1180 -0.1047 57 VAL B CG2 
434 N N   . GLU A 60 ? 0.4670 0.3459 1.1766 0.0738  -0.1560 0.0176  58 GLU B N   
435 C CA  . GLU A 60 ? 0.5786 0.4292 1.2911 0.1007  -0.1752 0.0272  58 GLU B CA  
436 C C   . GLU A 60 ? 0.5571 0.4726 1.2704 0.1266  -0.1730 0.0170  58 GLU B C   
437 O O   . GLU A 60 ? 0.4588 0.4202 1.1593 0.1161  -0.1648 0.0392  58 GLU B O   
438 C CB  . GLU A 60 ? 0.6321 0.4390 1.3248 0.0847  -0.1862 0.0803  58 GLU B CB  
439 C CG  . GLU A 60 ? 0.7065 0.4912 1.3916 0.1120  -0.2034 0.1027  58 GLU B CG  
440 C CD  . GLU A 60 ? 0.8039 0.5457 1.4612 0.0887  -0.2100 0.1508  58 GLU B CD  
441 O OE1 . GLU A 60 ? 0.7808 0.5245 1.4258 0.0510  -0.1999 0.1638  58 GLU B OE1 
442 O OE2 . GLU A 60 ? 0.8715 0.5826 1.5153 0.1089  -0.2237 0.1733  58 GLU B OE2 
443 N N   . ASP A 61 ? 0.5848 0.5116 1.3085 0.1575  -0.1778 -0.0184 59 ASP B N   
444 C CA  . ASP A 61 ? 0.5962 0.5953 1.3168 0.1807  -0.1743 -0.0335 59 ASP B CA  
445 C C   . ASP A 61 ? 0.6367 0.7079 1.3411 0.1578  -0.1508 -0.0462 59 ASP B C   
446 O O   . ASP A 61 ? 0.5841 0.6595 1.2823 0.1375  -0.1339 -0.0736 59 ASP B O   
447 C CB  . ASP A 61 ? 0.6485 0.6458 1.3634 0.2016  -0.1907 0.0071  59 ASP B CB  
448 C CG  . ASP A 61 ? 0.7980 0.7164 1.5159 0.2256  -0.2106 0.0196  59 ASP B CG  
449 O OD1 . ASP A 61 ? 0.8650 0.7852 1.5916 0.2610  -0.2167 -0.0075 59 ASP B OD1 
450 O OD2 . ASP A 61 ? 0.8522 0.7070 1.5585 0.2078  -0.2182 0.0566  59 ASP B OD2 
451 N N   . ASN A 62 ? 0.6818 0.8094 1.3726 0.1594  -0.1479 -0.0263 60 ASN B N   
452 C CA  . ASN A 62 ? 0.5799 0.7713 1.2433 0.1329  -0.1228 -0.0351 60 ASN B CA  
453 C C   . ASN A 62 ? 0.5752 0.7552 1.2224 0.1021  -0.1155 0.0082  60 ASN B C   
454 O O   . ASN A 62 ? 0.4831 0.7132 1.0985 0.0798  -0.0948 0.0110  60 ASN B O   
455 C CB  . ASN A 62 ? 0.5233 0.7975 1.1741 0.1443  -0.1177 -0.0470 60 ASN B CB  
456 C CG  . ASN A 62 ? 0.5356 0.8434 1.1833 0.1563  -0.1090 -0.0991 60 ASN B CG  
457 O OD1 . ASN A 62 ? 0.5750 0.8492 1.2222 0.1504  -0.1025 -0.1289 60 ASN B OD1 
458 N ND2 . ASN A 62 ? 0.5380 0.9150 1.1817 0.1699  -0.1086 -0.1089 60 ASN B ND2 
459 N N   . LYS A 63 ? 0.5677 0.6803 1.2292 0.0974  -0.1303 0.0419  61 LYS B N   
460 C CA  . LYS A 63 ? 0.4705 0.5714 1.1106 0.0678  -0.1249 0.0883  61 LYS B CA  
461 C C   . LYS A 63 ? 0.4184 0.5295 1.0204 0.0375  -0.0963 0.0735  61 LYS B C   
462 O O   . LYS A 63 ? 0.4036 0.5183 1.0099 0.0397  -0.0854 0.0308  61 LYS B O   
463 C CB  . LYS A 63 ? 0.5275 0.5519 1.1798 0.0648  -0.1455 0.1250  61 LYS B CB  
464 C CG  . LYS A 63 ? 0.5690 0.5728 1.2201 0.0840  -0.1661 0.1493  61 LYS B CG  
465 C CD  . LYS A 63 ? 0.6476 0.5803 1.2875 0.0661  -0.1776 0.1842  61 LYS B CD  
466 C CE  . LYS A 63 ? 0.6419 0.5860 1.2546 0.0259  -0.1630 0.2145  61 LYS B CE  
467 N NZ  . LYS A 63 ? 0.7516 0.6510 1.3446 0.0011  -0.1682 0.2384  61 LYS B NZ  
468 N N   . ARG A 64 ? 0.3945 0.5115 0.9563 0.0109  -0.0837 0.1089  62 ARG B N   
469 C CA  . ARG A 64 ? 0.3672 0.4858 0.8890 -0.0130 -0.0583 0.1010  62 ARG B CA  
470 C C   . ARG A 64 ? 0.3425 0.4153 0.8861 -0.0158 -0.0658 0.0930  62 ARG B C   
471 O O   . ARG A 64 ? 0.3491 0.3804 0.9129 -0.0194 -0.0850 0.1225  62 ARG B O   
472 C CB  . ARG A 64 ? 0.4213 0.5460 0.9004 -0.0368 -0.0478 0.1458  62 ARG B CB  
473 C CG  . ARG A 64 ? 0.3634 0.5274 0.8253 -0.0373 -0.0455 0.1630  62 ARG B CG  
474 C CD  . ARG A 64 ? 0.2292 0.3928 0.6103 -0.0567 -0.0236 0.1835  62 ARG B CD  
475 N NE  . ARG A 64 ? 0.1804 0.3818 0.5192 -0.0599 -0.0058 0.1653  62 ARG B NE  
476 C CZ  . ARG A 64 ? 0.1864 0.3870 0.4551 -0.0673 0.0045  0.1743  62 ARG B CZ  
477 N NH1 . ARG A 64 ? 0.1978 0.3739 0.4386 -0.0660 -0.0043 0.1956  62 ARG B NH1 
478 N NH2 . ARG A 64 ? 0.1819 0.4088 0.4132 -0.0734 0.0207  0.1503  62 ARG B NH2 
479 N N   . PRO A 65 ? 0.3049 0.3855 0.8398 -0.0174 -0.0496 0.0535  63 PRO B N   
480 C CA  . PRO A 65 ? 0.2796 0.3255 0.8293 -0.0259 -0.0539 0.0469  63 PRO B CA  
481 C C   . PRO A 65 ? 0.3185 0.3572 0.8401 -0.0504 -0.0499 0.0902  63 PRO B C   
482 O O   . PRO A 65 ? 0.3138 0.3760 0.7814 -0.0556 -0.0348 0.1112  63 PRO B O   
483 C CB  . PRO A 65 ? 0.2024 0.2730 0.7325 -0.0256 -0.0317 0.0022  63 PRO B CB  
484 C CG  . PRO A 65 ? 0.2868 0.3934 0.8128 -0.0102 -0.0241 -0.0260 63 PRO B CG  
485 C CD  . PRO A 65 ? 0.2387 0.3596 0.7485 -0.0138 -0.0270 0.0130  63 PRO B CD  
486 N N   . VAL A 66 ? 0.2641 0.2672 0.7975 -0.0582 -0.0626 0.0990  64 VAL B N   
487 C CA  . VAL A 66 ? 0.2735 0.2794 0.7552 -0.0719 -0.0582 0.1280  64 VAL B CA  
488 C C   . VAL A 66 ? 0.2709 0.2813 0.7372 -0.0808 -0.0481 0.1055  64 VAL B C   
489 O O   . VAL A 66 ? 0.3939 0.3816 0.8969 -0.0813 -0.0570 0.0815  64 VAL B O   
490 C CB  . VAL A 66 ? 0.3941 0.3683 0.8913 -0.0770 -0.0816 0.1596  64 VAL B CB  
491 C CG1 . VAL A 66 ? 0.4312 0.4120 0.8850 -0.0942 -0.0773 0.1753  64 VAL B CG1 
492 C CG2 . VAL A 66 ? 0.3220 0.3059 0.8222 -0.0690 -0.0898 0.1879  64 VAL B CG2 
493 N N   . TRP A 67 ? 0.2912 0.3312 0.7007 -0.0871 -0.0299 0.1122  65 TRP B N   
494 C CA  . TRP A 67 ? 0.2699 0.3284 0.6638 -0.0939 -0.0174 0.0904  65 TRP B CA  
495 C C   . TRP A 67 ? 0.3190 0.3824 0.6943 -0.1117 -0.0212 0.1095  65 TRP B C   
496 O O   . TRP A 67 ? 0.3154 0.3792 0.6661 -0.1143 -0.0247 0.1375  65 TRP B O   
497 C CB  . TRP A 67 ? 0.1987 0.2899 0.5419 -0.0854 0.0071  0.0803  65 TRP B CB  
498 C CG  . TRP A 67 ? 0.1804 0.2719 0.5365 -0.0722 0.0142  0.0547  65 TRP B CG  
499 C CD1 . TRP A 67 ? 0.2226 0.3138 0.5699 -0.0658 0.0168  0.0621  65 TRP B CD1 
500 C CD2 . TRP A 67 ? 0.2719 0.3684 0.6482 -0.0646 0.0200  0.0132  65 TRP B CD2 
501 N NE1 . TRP A 67 ? 0.2164 0.3162 0.5773 -0.0560 0.0252  0.0259  65 TRP B NE1 
502 C CE2 . TRP A 67 ? 0.2395 0.3389 0.6170 -0.0533 0.0263  -0.0053 65 TRP B CE2 
503 C CE3 . TRP A 67 ? 0.2479 0.3493 0.6369 -0.0663 0.0204  -0.0127 65 TRP B CE3 
504 C CZ2 . TRP A 67 ? 0.1964 0.3002 0.5801 -0.0425 0.0332  -0.0500 65 TRP B CZ2 
505 C CZ3 . TRP A 67 ? 0.2583 0.3613 0.6557 -0.0542 0.0266  -0.0552 65 TRP B CZ3 
506 C CH2 . TRP A 67 ? 0.2038 0.3059 0.5965 -0.0422 0.0328  -0.0735 65 TRP B CH2 
507 N N   . ASN A 68 ? 0.2678 0.3399 0.6545 -0.1241 -0.0200 0.0905  66 ASN B N   
508 C CA  . ASN A 68 ? 0.2997 0.3920 0.6655 -0.1438 -0.0183 0.1029  66 ASN B CA  
509 C C   . ASN A 68 ? 0.3257 0.4559 0.6925 -0.1522 -0.0078 0.0753  66 ASN B C   
510 O O   . ASN A 68 ? 0.2559 0.3879 0.6412 -0.1435 -0.0053 0.0466  66 ASN B O   
511 C CB  . ASN A 68 ? 0.3574 0.4104 0.7454 -0.1620 -0.0369 0.1180  66 ASN B CB  
512 C CG  . ASN A 68 ? 0.3910 0.4638 0.7505 -0.1804 -0.0350 0.1396  66 ASN B CG  
513 O OD1 . ASN A 68 ? 0.3254 0.4431 0.6540 -0.1768 -0.0212 0.1414  66 ASN B OD1 
514 N ND2 . ASN A 68 ? 0.4242 0.4619 0.7939 -0.1986 -0.0487 0.1543  66 ASN B ND2 
515 N N   . LEU A 69 ? 0.2981 0.4638 0.6463 -0.1668 -0.0017 0.0819  67 LEU B N   
516 C CA  . LEU A 69 ? 0.2761 0.4872 0.6311 -0.1764 0.0067  0.0555  67 LEU B CA  
517 C C   . LEU A 69 ? 0.3268 0.5141 0.7154 -0.2007 -0.0067 0.0363  67 LEU B C   
518 O O   . LEU A 69 ? 0.3932 0.5363 0.7936 -0.2179 -0.0190 0.0489  67 LEU B O   
519 C CB  . LEU A 69 ? 0.2650 0.5191 0.5991 -0.1812 0.0143  0.0701  67 LEU B CB  
520 C CG  . LEU A 69 ? 0.2618 0.5353 0.5466 -0.1533 0.0256  0.0901  67 LEU B CG  
521 C CD1 . LEU A 69 ? 0.2675 0.5857 0.5249 -0.1554 0.0270  0.1046  67 LEU B CD1 
522 C CD2 . LEU A 69 ? 0.2451 0.5317 0.5148 -0.1268 0.0406  0.0702  67 LEU B CD2 
523 N N   . VAL A 70 ? 0.3510 0.5634 0.7490 -0.1996 -0.0051 0.0082  68 VAL B N   
524 C CA  . VAL A 70 ? 0.3999 0.5938 0.8207 -0.2220 -0.0164 -0.0111 68 VAL B CA  
525 C C   . VAL A 70 ? 0.5027 0.7341 0.9121 -0.2598 -0.0124 -0.0057 68 VAL B C   
526 O O   . VAL A 70 ? 0.4223 0.7007 0.8426 -0.2404 0.0053  -0.0095 68 VAL B O   
527 C CB  . VAL A 70 ? 0.3616 0.5815 0.7907 -0.2037 -0.0119 -0.0423 68 VAL B CB  
528 C CG1 . VAL A 70 ? 0.5089 0.7231 0.9544 -0.2271 -0.0198 -0.0642 68 VAL B CG1 
529 C CG2 . VAL A 70 ? 0.3406 0.5197 0.7812 -0.1703 -0.0081 -0.0642 68 VAL B CG2 
530 N N   . GLU A 71 ? 0.6487 0.8316 1.0697 -0.2889 -0.0217 -0.0071 69 GLU B N   
531 C CA  . GLU A 71 ? 0.7634 0.9728 1.1946 -0.3179 -0.0110 -0.0189 69 GLU B CA  
532 C C   . GLU A 71 ? 0.8361 1.0862 1.2809 -0.3077 -0.0065 0.0107  69 GLU B C   
533 O O   . GLU A 71 ? 0.8876 1.1400 1.3018 -0.2861 -0.0049 0.0370  69 GLU B O   
534 C CB  . GLU A 71 ? 0.7274 0.9630 1.2018 -0.3074 -0.0455 0.0011  69 GLU B CB  
535 C CG  . GLU A 71 ? 0.8369 1.0268 1.2744 -0.3486 -0.0497 -0.0298 69 GLU B CG  
536 C CD  . GLU A 71 ? 0.9867 1.1207 1.4011 -0.3902 -0.0428 -0.0353 69 GLU B CD  
537 O OE1 . GLU A 71 ? 0.9983 1.1471 1.5322 -0.3723 -0.0497 -0.0324 69 GLU B OE1 
538 O OE2 . GLU A 71 ? 1.0461 1.0972 1.4741 -0.3863 -0.0433 -0.0365 69 GLU B OE2 
# 
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  GLY 1  -1 ?  ?   ?   B . n 
A 1 2  SER 2  0  ?  ?   ?   B . n 
A 1 3  HIS 3  1  ?  ?   ?   B . n 
A 1 4  MET 4  2  ?  ?   ?   B . n 
A 1 5  ALA 5  3  ?  ?   ?   B . n 
A 1 6  SER 6  4  ?  ?   ?   B . n 
A 1 7  SER 7  5  ?  ?   ?   B . n 
A 1 8  ALA 8  6  ?  ?   ?   B . n 
A 1 9  GLU 9  7  7  GLU GLU B . n 
A 1 10 ASN 10 8  8  ASN ASN B . n 
A 1 11 GLU 11 9  9  GLU GLU B . n 
A 1 12 ILE 12 10 10 ILE ILE B . n 
A 1 13 GLU 13 11 11 GLU GLU B . n 
A 1 14 MET 14 12 12 MET MET B . n 
A 1 15 ARG 15 13 13 ARG ARG B . n 
A 1 16 ILE 16 14 14 ILE ILE B . n 
A 1 17 CYS 17 15 15 CYS CYS B . n 
A 1 18 ASP 18 16 16 ASP ASP B . n 
A 1 19 TYR 19 17 17 TYR TYR B . n 
A 1 20 LEU 20 18 18 LEU LEU B . n 
A 1 21 ARG 21 19 19 ARG ARG B . n 
A 1 22 ARG 22 20 20 ARG ARG B . n 
A 1 23 HIS 23 21 21 HIS HIS B . n 
A 1 24 GLY 24 22 22 GLY GLY B . n 
A 1 25 ARG 25 23 23 ARG ARG B . n 
A 1 26 SER 26 24 24 SER SER B . n 
A 1 27 THR 27 25 25 THR THR B . n 
A 1 28 VAL 28 26 26 VAL VAL B . n 
A 1 29 GLN 29 27 27 GLN GLN B . n 
A 1 30 ASP 30 28 28 ASP ASP B . n 
A 1 31 ILE 31 29 29 ILE ILE B . n 
A 1 32 PHE 32 30 30 PHE PHE B . n 
A 1 33 LYS 33 31 31 LYS LYS B . n 
A 1 34 GLU 34 32 32 GLU GLU B . n 
A 1 35 LEU 35 33 33 LEU LEU B . n 
A 1 36 LYS 36 34 34 LYS LYS B . n 
A 1 37 LEU 37 35 35 LEU LEU B . n 
A 1 38 GLU 38 36 36 GLU GLU B . n 
A 1 39 LYS 39 37 37 LYS LYS B . n 
A 1 40 SER 40 38 38 SER SER B . n 
A 1 41 THR 41 39 39 THR THR B . n 
A 1 42 VAL 42 40 40 VAL VAL B . n 
A 1 43 ASN 43 41 41 ASN ASN B . n 
A 1 44 ARG 44 42 42 ARG ARG B . n 
A 1 45 HIS 45 43 43 HIS HIS B . n 
A 1 46 LEU 46 44 44 LEU LEU B . n 
A 1 47 TYR 47 45 45 TYR TYR B . n 
A 1 48 SER 48 46 46 SER SER B . n 
A 1 49 LEU 49 47 47 LEU LEU B . n 
A 1 50 GLN 50 48 48 GLN GLN B . n 
A 1 51 ALA 51 49 49 ALA ALA B . n 
A 1 52 SER 52 50 50 SER SER B . n 
A 1 53 LYS 53 51 51 LYS LYS B . n 
A 1 54 GLN 54 52 52 GLN GLN B . n 
A 1 55 VAL 55 53 53 VAL VAL B . n 
A 1 56 PHE 56 54 54 PHE PHE B . n 
A 1 57 LYS 57 55 55 LYS LYS B . n 
A 1 58 THR 58 56 56 THR THR B . n 
A 1 59 VAL 59 57 57 VAL VAL B . n 
A 1 60 GLU 60 58 58 GLU GLU B . n 
A 1 61 ASP 61 59 59 ASP ASP B . n 
A 1 62 ASN 62 60 60 ASN ASN B . n 
A 1 63 LYS 63 61 61 LYS LYS B . n 
A 1 64 ARG 64 62 62 ARG ARG B . n 
A 1 65 PRO 65 63 63 PRO PRO B . n 
A 1 66 VAL 66 64 64 VAL VAL B . n 
A 1 67 TRP 67 65 65 TRP TRP B . n 
A 1 68 ASN 68 66 66 ASN ASN B . n 
A 1 69 LEU 69 67 67 LEU LEU B . n 
A 1 70 VAL 70 68 68 VAL VAL B . n 
A 1 71 GLU 71 69 69 GLU GLU B . n 
A 1 72 SER 72 70 ?  ?   ?   B . n 
B 2 1  DT  1  7  ?  ?   ?   C . n 
B 2 2  DC  2  8  8  DC  DC  C . n 
B 2 3  DG  3  9  9  DG  DG  C . n 
B 2 4  DC  4  10 10 DC  DC  C . n 
B 2 5  DG  5  11 11 DG  DG  C . n 
B 2 6  DC  6  12 12 DC  DC  C . n 
B 2 7  DG  7  13 13 DG  DG  C . n 
B 2 8  DC  8  14 ?  ?   ?   C . n 
B 2 9  DG  9  15 ?  ?   ?   C . n 
B 2 10 DC  10 16 ?  ?   ?   C . n 
B 2 11 DG  11 17 ?  ?   ?   C . n 
B 2 12 DC  12 18 ?  ?   ?   C . n 
B 2 13 DG  13 19 ?  ?   ?   C . n 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   octameric 
_pdbx_struct_assembly.oligomeric_count     8 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2,3,4 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D 
# 
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)' 2800 ? 
1 MORE         -25  ? 
1 'SSA (A^2)'  9050 ? 
# 
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' 8_556  -y,-x,-z+1          0.0000000000  -1.0000000000 0.0000000000 0.0000000000   -1.0000000000 
0.0000000000  0.0000000000 0.0000000000  0.0000000000 0.0000000000 -1.0000000000 43.1400000000  
3 'crystal symmetry operation' 10_454 -x-1/2,-y+1/2,z-1/2 -1.0000000000 0.0000000000  0.0000000000 -55.4550000000 0.0000000000  
-1.0000000000 0.0000000000 55.4550000000 0.0000000000 0.0000000000 1.0000000000  -21.5700000000 
4 'crystal symmetry operation' 15_455 y-1/2,x+1/2,-z+1/2  0.0000000000  1.0000000000  0.0000000000 -55.4550000000 1.0000000000  
0.0000000000  0.0000000000 55.4550000000 0.0000000000 0.0000000000 -1.0000000000 21.5700000000  
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 B HOH 117 ? C HOH . 
2 1 C HOH 108 ? D HOH . 
3 1 C HOH 119 ? D HOH . 
4 1 C HOH 120 ? D HOH . 
5 1 C HOH 121 ? D HOH . 
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
1 'Structure model' 1 0 2013-09-18 
2 'Structure model' 1 1 2013-12-04 
# 
_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         ? 
# 
_pdbx_audit_revision_group.ordinal             1 
_pdbx_audit_revision_group.revision_ordinal    2 
_pdbx_audit_revision_group.data_content_type   'Structure model' 
_pdbx_audit_revision_group.group               'Database references' 
# 
loop_
_pdbx_refine_tls.pdbx_refine_id 
_pdbx_refine_tls.id 
_pdbx_refine_tls.details 
_pdbx_refine_tls.method 
_pdbx_refine_tls.origin_x 
_pdbx_refine_tls.origin_y 
_pdbx_refine_tls.origin_z 
_pdbx_refine_tls.T[1][1] 
_pdbx_refine_tls.T[2][2] 
_pdbx_refine_tls.T[3][3] 
_pdbx_refine_tls.T[1][2] 
_pdbx_refine_tls.T[1][3] 
_pdbx_refine_tls.T[2][3] 
_pdbx_refine_tls.L[1][1] 
_pdbx_refine_tls.L[2][2] 
_pdbx_refine_tls.L[3][3] 
_pdbx_refine_tls.L[1][2] 
_pdbx_refine_tls.L[1][3] 
_pdbx_refine_tls.L[2][3] 
_pdbx_refine_tls.S[1][1] 
_pdbx_refine_tls.S[1][2] 
_pdbx_refine_tls.S[1][3] 
_pdbx_refine_tls.S[2][1] 
_pdbx_refine_tls.S[2][2] 
_pdbx_refine_tls.S[2][3] 
_pdbx_refine_tls.S[3][1] 
_pdbx_refine_tls.S[3][2] 
_pdbx_refine_tls.S[3][3] 
'X-RAY DIFFRACTION' 1 ? refined -4.6410  27.9134 20.4601 0.1615 0.5634 0.3920 0.0215  -0.0458 0.0690  2.6131 5.9651 2.0744 1.8549  
-0.3418 -0.0347 -0.0160 0.2205  -0.1579 -0.3529 -0.3420 -0.5563 0.1730  1.0005  0.2932  
'X-RAY DIFFRACTION' 2 ? refined -13.0537 28.1087 14.8579 0.1870 0.4917 0.2409 -0.0467 -0.0318 0.0455  6.1764 7.4409 5.3858 2.5436  
0.4755  -0.1937 -0.6224 1.7057  0.4543  -0.7020 0.8746  -0.2335 -0.0756 0.5530  -0.1489 
'X-RAY DIFFRACTION' 3 ? refined -15.1365 28.8271 25.6203 0.1332 0.2462 0.1799 -0.0046 0.0120  0.0267  9.7803 9.1128 2.8301 0.8630  
2.2742  4.6871  0.1051  -0.5851 0.3494  0.3995  0.0212  -0.2850 0.0687  0.0973  -0.0938 
'X-RAY DIFFRACTION' 4 ? refined -10.6694 38.2505 26.6675 0.2292 0.4531 0.8008 -0.0585 -0.0125 -0.1431 9.0410 6.0914 5.7413 -6.1577 
2.0030  -1.5014 -0.0751 -0.7726 1.5113  -0.0479 0.6892  0.3140  -0.3547 0.6560  -0.4742 
'X-RAY DIFFRACTION' 5 ? refined -16.2159 39.6957 19.5571 0.2992 0.2587 0.8813 -0.0648 -0.0773 0.0761  1.8823 0.4033 6.6748 0.5101  
-0.9253 0.9697  -0.4020 0.0861  1.9318  -0.2186 -0.1638 0.3378  -1.1181 -0.0405 0.5734  
# 
loop_
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.end_auth_asym_id 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.end_label_asym_id 
_pdbx_refine_tls_group.end_label_seq_id 
_pdbx_refine_tls_group.selection 
_pdbx_refine_tls_group.selection_details 
'X-RAY DIFFRACTION' 1 1 ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 7 through 21 )
;
'X-RAY DIFFRACTION' 2 2 ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 22 through 36 )
;
'X-RAY DIFFRACTION' 3 3 ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 37 through 49 )
;
'X-RAY DIFFRACTION' 4 4 ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 50 through 56 )
;
'X-RAY DIFFRACTION' 5 5 ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 57 through 69 )
;
# 
loop_
_software.name 
_software.classification 
_software.version 
_software.citation_id 
_software.pdbx_ordinal 
DNA    'data collection' .                             ? 1 
PHASER phasing           .                             ? 2 
PHENIX refinement        '(phenix.refine: 1.8.2_1309)' ? 3 
MOSFLM 'data reduction'  .                             ? 4 
SCALA  'data scaling'    .                             ? 5 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 OP1 C DG  9   ? ? O   C HOH 112 ? ? 2.07 
2 1 OD2 B ASP 16  ? ? NH1 B ARG 20  ? ? 2.11 
3 1 O   B HOH 126 ? ? O   B HOH 133 ? ? 2.13 
# 
loop_
_pdbx_validate_symm_contact.id 
_pdbx_validate_symm_contact.PDB_model_num 
_pdbx_validate_symm_contact.auth_atom_id_1 
_pdbx_validate_symm_contact.auth_asym_id_1 
_pdbx_validate_symm_contact.auth_comp_id_1 
_pdbx_validate_symm_contact.auth_seq_id_1 
_pdbx_validate_symm_contact.PDB_ins_code_1 
_pdbx_validate_symm_contact.label_alt_id_1 
_pdbx_validate_symm_contact.site_symmetry_1 
_pdbx_validate_symm_contact.auth_atom_id_2 
_pdbx_validate_symm_contact.auth_asym_id_2 
_pdbx_validate_symm_contact.auth_comp_id_2 
_pdbx_validate_symm_contact.auth_seq_id_2 
_pdbx_validate_symm_contact.PDB_ins_code_2 
_pdbx_validate_symm_contact.label_alt_id_2 
_pdbx_validate_symm_contact.site_symmetry_2 
_pdbx_validate_symm_contact.dist 
1 1 O B HOH 104 ? ? 1_555 O B HOH 141 ? ? 15_455 1.80 
2 1 O C HOH 124 ? ? 1_555 O C HOH 131 ? ? 8_556  1.85 
# 
loop_
_pdbx_validate_rmsd_bond.id 
_pdbx_validate_rmsd_bond.PDB_model_num 
_pdbx_validate_rmsd_bond.auth_atom_id_1 
_pdbx_validate_rmsd_bond.auth_asym_id_1 
_pdbx_validate_rmsd_bond.auth_comp_id_1 
_pdbx_validate_rmsd_bond.auth_seq_id_1 
_pdbx_validate_rmsd_bond.PDB_ins_code_1 
_pdbx_validate_rmsd_bond.label_alt_id_1 
_pdbx_validate_rmsd_bond.auth_atom_id_2 
_pdbx_validate_rmsd_bond.auth_asym_id_2 
_pdbx_validate_rmsd_bond.auth_comp_id_2 
_pdbx_validate_rmsd_bond.auth_seq_id_2 
_pdbx_validate_rmsd_bond.PDB_ins_code_2 
_pdbx_validate_rmsd_bond.label_alt_id_2 
_pdbx_validate_rmsd_bond.bond_value 
_pdbx_validate_rmsd_bond.bond_target_value 
_pdbx_validate_rmsd_bond.bond_deviation 
_pdbx_validate_rmsd_bond.bond_standard_deviation 
_pdbx_validate_rmsd_bond.linker_flag 
1 1 "C5'" C DC 12 ? ? "C4'" C DC 12 ? ? 1.561 1.512 0.049  0.007 N 
2 1 "O4'" C DG 13 ? ? "C4'" C DG 13 ? ? 1.384 1.446 -0.062 0.010 N 
3 1 "O3'" C DG 13 ? ? "C3'" C DG 13 ? ? 1.355 1.419 -0.064 0.006 N 
# 
loop_
_pdbx_validate_rmsd_angle.id 
_pdbx_validate_rmsd_angle.PDB_model_num 
_pdbx_validate_rmsd_angle.auth_atom_id_1 
_pdbx_validate_rmsd_angle.auth_asym_id_1 
_pdbx_validate_rmsd_angle.auth_comp_id_1 
_pdbx_validate_rmsd_angle.auth_seq_id_1 
_pdbx_validate_rmsd_angle.PDB_ins_code_1 
_pdbx_validate_rmsd_angle.label_alt_id_1 
_pdbx_validate_rmsd_angle.auth_atom_id_2 
_pdbx_validate_rmsd_angle.auth_asym_id_2 
_pdbx_validate_rmsd_angle.auth_comp_id_2 
_pdbx_validate_rmsd_angle.auth_seq_id_2 
_pdbx_validate_rmsd_angle.PDB_ins_code_2 
_pdbx_validate_rmsd_angle.label_alt_id_2 
_pdbx_validate_rmsd_angle.auth_atom_id_3 
_pdbx_validate_rmsd_angle.auth_asym_id_3 
_pdbx_validate_rmsd_angle.auth_comp_id_3 
_pdbx_validate_rmsd_angle.auth_seq_id_3 
_pdbx_validate_rmsd_angle.PDB_ins_code_3 
_pdbx_validate_rmsd_angle.label_alt_id_3 
_pdbx_validate_rmsd_angle.angle_value 
_pdbx_validate_rmsd_angle.angle_target_value 
_pdbx_validate_rmsd_angle.angle_deviation 
_pdbx_validate_rmsd_angle.angle_standard_deviation 
_pdbx_validate_rmsd_angle.linker_flag 
1  1 C6    C DC 8  ? ? N1    C DC 8  ? ? C2    C DC 8  ? ? 123.31 120.30 3.01   0.40 N 
2  1 N3    C DC 8  ? ? C4    C DC 8  ? ? C5    C DC 8  ? ? 124.44 121.90 2.54   0.40 N 
3  1 "O5'" C DG 9  ? ? P     C DG 9  ? ? OP1   C DG 9  ? ? 98.16  105.70 -7.54  0.90 N 
4  1 "O4'" C DG 9  ? ? "C4'" C DG 9  ? ? "C3'" C DG 9  ? ? 109.94 106.00 3.94   0.60 N 
5  1 C6    C DG 9  ? ? N1    C DG 9  ? ? C2    C DG 9  ? ? 120.53 125.10 -4.57  0.60 N 
6  1 OP1   C DG 13 ? ? P     C DG 13 ? ? OP2   C DG 13 ? ? 129.20 119.60 9.60   1.50 N 
7  1 "O4'" C DG 13 ? ? "C4'" C DG 13 ? ? "C3'" C DG 13 ? ? 98.97  104.50 -5.53  0.40 N 
8  1 "C5'" C DG 13 ? ? "C4'" C DG 13 ? ? "C3'" C DG 13 ? ? 102.70 114.10 -11.40 1.80 N 
9  1 "C4'" C DG 13 ? ? "C3'" C DG 13 ? ? "O3'" C DG 13 ? ? 92.72  109.70 -16.98 2.50 N 
10 1 "O4'" C DG 13 ? ? "C1'" C DG 13 ? ? N9    C DG 13 ? ? 101.86 108.00 -6.14  0.70 N 
11 1 C6    C DG 13 ? ? N1    C DG 13 ? ? C2    C DG 13 ? ? 121.35 125.10 -3.75  0.60 N 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    ASP 
_pdbx_validate_torsion.auth_asym_id    B 
_pdbx_validate_torsion.auth_seq_id     59 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             49.01 
_pdbx_validate_torsion.psi             -130.94 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 B GLY -1 ? A GLY 1  
2  1 Y 1 B SER 0  ? A SER 2  
3  1 Y 1 B HIS 1  ? A HIS 3  
4  1 Y 1 B MET 2  ? A MET 4  
5  1 Y 1 B ALA 3  ? A ALA 5  
6  1 Y 1 B SER 4  ? A SER 6  
7  1 Y 1 B SER 5  ? A SER 7  
8  1 Y 1 B ALA 6  ? A ALA 8  
9  1 Y 1 B SER 70 ? A SER 72 
10 1 Y 1 C DT  7  ? B DT  1  
11 1 Y 1 C DC  14 ? B DC  8  
12 1 Y 1 C DG  15 ? B DG  9  
13 1 Y 1 C DC  16 ? B DC  10 
14 1 Y 1 C DG  17 ? B DG  11 
15 1 Y 1 C DC  18 ? B DC  12 
16 1 Y 1 C DG  19 ? B DG  13 
# 
_ndb_struct_conf_na.entry_id   4LB6 
_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 B DC 2 1_555 B DG 5 8_556 -0.298 -0.179 0.174 -0.648 3.806 2.371  1 C_DC8:DG11_C C 8  ? C 11 ? 19 1 
1 B DG 3 1_555 B DC 4 8_556 0.487  -0.105 0.121 0.055  2.111 -0.820 2 C_DG9:DC10_C C 9  ? C 10 ? 19 1 
1 B DC 4 1_555 B DG 3 8_556 -0.487 -0.105 0.121 -0.055 2.111 -0.820 3 C_DC10:DG9_C C 10 ? C 9  ? 19 1 
1 B DG 5 1_555 B DC 2 8_556 0.298  -0.179 0.174 0.648  3.806 2.371  4 C_DG11:DC8_C C 11 ? C 8  ? 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 B DC 2 1_555 B DG 5 8_556 B DG 3 1_555 B DC 4 8_556 -0.032 5.364  3.492 1.289  2.282  -10.977 -30.298 1.544  2.320 -11.711 6.614 
-11.285 1 CC_DC8DG9:DC10DG11_CC C 8  ? C 11 ? C 9  ? C 10 ? 
1 B DG 3 1_555 B DC 4 8_556 B DC 4 1_555 B DG 3 8_556 0.000  -0.934 3.396 0.000  -4.819 -55.567 1.285   0.000  3.311 5.158   0.000 
-55.759 2 CC_DG9DC10:DG9DC10_CC C 9  ? C 10 ? C 10 ? C 9  ? 
1 B DC 4 1_555 B DG 3 8_556 B DG 5 1_555 B DC 2 8_556 0.032  5.364  3.492 -1.289 2.282  -10.977 -30.298 -1.544 2.320 -11.711 
-6.614 -11.285 3 CC_DC10DG11:DC8DG9_CC C 10 ? C 9  ? C 11 ? C 8  ? 
# 
_pdbx_entity_nonpoly.entity_id   3 
_pdbx_entity_nonpoly.name        water 
_pdbx_entity_nonpoly.comp_id     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 3 HOH 1  101 1  HOH HOH B . 
C 3 HOH 2  102 2  HOH HOH B . 
C 3 HOH 3  103 5  HOH HOH B . 
C 3 HOH 4  104 7  HOH HOH B . 
C 3 HOH 5  105 10 HOH HOH B . 
C 3 HOH 6  106 11 HOH HOH B . 
C 3 HOH 7  107 16 HOH HOH B . 
C 3 HOH 8  108 17 HOH HOH B . 
C 3 HOH 9  109 18 HOH HOH B . 
C 3 HOH 10 110 20 HOH HOH B . 
C 3 HOH 11 111 23 HOH HOH B . 
C 3 HOH 12 112 24 HOH HOH B . 
C 3 HOH 13 113 26 HOH HOH B . 
C 3 HOH 14 114 27 HOH HOH B . 
C 3 HOH 15 115 31 HOH HOH B . 
C 3 HOH 16 116 35 HOH HOH B . 
C 3 HOH 17 117 39 HOH HOH B . 
C 3 HOH 18 118 41 HOH HOH B . 
C 3 HOH 19 119 42 HOH HOH B . 
C 3 HOH 20 120 43 HOH HOH B . 
C 3 HOH 21 121 45 HOH HOH B . 
C 3 HOH 22 122 46 HOH HOH B . 
C 3 HOH 23 123 47 HOH HOH B . 
C 3 HOH 24 124 48 HOH HOH B . 
C 3 HOH 25 125 49 HOH HOH B . 
C 3 HOH 26 126 50 HOH HOH B . 
C 3 HOH 27 127 53 HOH HOH B . 
C 3 HOH 28 128 54 HOH HOH B . 
C 3 HOH 29 129 55 HOH HOH B . 
C 3 HOH 30 130 56 HOH HOH B . 
C 3 HOH 31 131 59 HOH HOH B . 
C 3 HOH 32 132 61 HOH HOH B . 
C 3 HOH 33 133 63 HOH HOH B . 
C 3 HOH 34 134 64 HOH HOH B . 
C 3 HOH 35 135 67 HOH HOH B . 
C 3 HOH 36 136 68 HOH HOH B . 
C 3 HOH 37 137 70 HOH HOH B . 
C 3 HOH 38 138 71 HOH HOH B . 
C 3 HOH 39 139 72 HOH HOH B . 
C 3 HOH 40 140 73 HOH HOH B . 
C 3 HOH 41 141 74 HOH HOH B . 
C 3 HOH 42 142 76 HOH HOH B . 
D 3 HOH 1  101 3  HOH HOH C . 
D 3 HOH 2  102 4  HOH HOH C . 
D 3 HOH 3  103 6  HOH HOH C . 
D 3 HOH 4  104 8  HOH HOH C . 
D 3 HOH 5  105 9  HOH HOH C . 
D 3 HOH 6  106 12 HOH HOH C . 
D 3 HOH 7  107 13 HOH HOH C . 
D 3 HOH 8  108 14 HOH HOH C . 
D 3 HOH 9  109 15 HOH HOH C . 
D 3 HOH 10 110 19 HOH HOH C . 
D 3 HOH 11 111 21 HOH HOH C . 
D 3 HOH 12 112 22 HOH HOH C . 
D 3 HOH 13 113 25 HOH HOH C . 
D 3 HOH 14 114 28 HOH HOH C . 
D 3 HOH 15 115 29 HOH HOH C . 
D 3 HOH 16 116 30 HOH HOH C . 
D 3 HOH 17 117 32 HOH HOH C . 
D 3 HOH 18 118 33 HOH HOH C . 
D 3 HOH 19 119 34 HOH HOH C . 
D 3 HOH 20 120 36 HOH HOH C . 
D 3 HOH 21 121 37 HOH HOH C . 
D 3 HOH 22 122 38 HOH HOH C . 
D 3 HOH 23 123 40 HOH HOH C . 
D 3 HOH 24 124 44 HOH HOH C . 
D 3 HOH 25 125 51 HOH HOH C . 
D 3 HOH 26 126 52 HOH HOH C . 
D 3 HOH 27 127 57 HOH HOH C . 
D 3 HOH 28 128 60 HOH HOH C . 
D 3 HOH 29 129 62 HOH HOH C . 
D 3 HOH 30 130 69 HOH HOH C . 
D 3 HOH 31 131 75 HOH HOH C . 
# 
