data_4LB5
# 
_entry.id   4LB5 
# 
_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   4LB5         
NDB   NA2566       
RCSB  RCSB080409   
WWPDB D_1000080409 
# 
_pdbx_database_related.db_name        PDB 
_pdbx_database_related.db_id          4LB6 
_pdbx_database_related.details        . 
_pdbx_database_related.content_type   unspecified 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.entry_id                        4LB5 
_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           4LB5 
_cell.length_a           56.860 
_cell.length_b           56.860 
_cell.length_c           218.770 
_cell.angle_alpha        90.00 
_cell.angle_beta         90.00 
_cell.angle_gamma        120.00 
_cell.Z_PDB              24 
_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                         4LB5 
_symmetry.space_group_name_H-M             'P 61 2 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                178 
_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 2   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 non-polymer syn 'ACETATE ION'                                     59.044   3   ?        ? ?                                  ? 
4 water       nat water                                             18.015   110 ?        ? ?                                  ? 
# 
_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 A,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 4LB5         4LB5   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 4LB5 A 7 ? 72 ? Q5NE14 5 ? 70 ? 5 70 
2 1 4LB5 B 7 ? 72 ? Q5NE14 5 ? 70 ? 5 70 
3 2 4LB5 C 1 ? 13 ? 4LB5   0 ? 12 ? 0 12 
# 
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 4LB5 GLY A 1 ? UNP Q5NE14 ? ? 'EXPRESSION TAG' -1 1  
1 4LB5 SER A 2 ? UNP Q5NE14 ? ? 'EXPRESSION TAG' 0  2  
1 4LB5 HIS A 3 ? UNP Q5NE14 ? ? 'EXPRESSION TAG' 1  3  
1 4LB5 MET A 4 ? UNP Q5NE14 ? ? 'EXPRESSION TAG' 2  4  
1 4LB5 ALA A 5 ? UNP Q5NE14 ? ? 'EXPRESSION TAG' 3  5  
1 4LB5 SER A 6 ? UNP Q5NE14 ? ? 'EXPRESSION TAG' 4  6  
2 4LB5 GLY B 1 ? UNP Q5NE14 ? ? 'EXPRESSION TAG' -1 7  
2 4LB5 SER B 2 ? UNP Q5NE14 ? ? 'EXPRESSION TAG' 0  8  
2 4LB5 HIS B 3 ? UNP Q5NE14 ? ? 'EXPRESSION TAG' 1  9  
2 4LB5 MET B 4 ? UNP Q5NE14 ? ? 'EXPRESSION TAG' 2  10 
2 4LB5 ALA B 5 ? UNP Q5NE14 ? ? 'EXPRESSION TAG' 3  11 
2 4LB5 SER B 6 ? UNP Q5NE14 ? ? 'EXPRESSION TAG' 4  12 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ACT non-polymer         . 'ACETATE ION'                        ? 'C2 H3 O2 -1'     59.044  
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          4LB5 
_exptl.method            'X-RAY DIFFRACTION' 
_exptl.crystals_number   1 
# 
_exptl_crystal.id                    1 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_Matthews      2.45 
_exptl_crystal.density_percent_sol   49.71 
_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              5.2 
_exptl_crystal_grow.pdbx_details    
'1.7 M ammonium sulfate, 0.1 M sodium acetate, pH 5.2, 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                     4LB5 
_reflns.observed_criterion_sigma_I   2.0 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             29.3 
_reflns.d_resolution_high            2.0 
_reflns.number_obs                   15007 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         ? 
_reflns.pdbx_Rmerge_I_obs            0.088 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        13.3 
_reflns.B_iso_Wilson_estimate        34.88 
_reflns.pdbx_redundancy              7.3 
_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             2.00 
_reflns_shell.d_res_low              2.11 
_reflns_shell.percent_possible_all   100 
_reflns_shell.Rmerge_I_obs           0.53 
_reflns_shell.pdbx_Rsym_value        ? 
_reflns_shell.meanI_over_sigI_obs    3.7 
_reflns_shell.pdbx_redundancy        7.2 
_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                                 4LB5 
_refine.ls_number_reflns_obs                     15006 
_refine.ls_number_reflns_all                     ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.34 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.ls_d_res_low                             29.3 
_refine.ls_d_res_high                            2.000 
_refine.ls_percent_reflns_obs                    99.46 
_refine.ls_R_factor_obs                          0.1915 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_R_work                       0.1879 
_refine.ls_R_factor_R_free                       0.2243 
_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                  1501 
_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                      ? 
_refine.pdbx_method_to_determine_struct          'PDB ENTRY 1QBJ' 
_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                            0.21 
_refine.pdbx_overall_phase_error                 20.51 
_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        999 
_refine_hist.pdbx_number_atoms_nucleic_acid   247 
_refine_hist.pdbx_number_atoms_ligand         12 
_refine_hist.number_atoms_solvent             110 
_refine_hist.number_atoms_total               1368 
_refine_hist.d_res_high                       2.000 
_refine_hist.d_res_low                        29.3 
# 
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           0.006  ? ? 1299 ? 'X-RAY DIFFRACTION' 
f_angle_d          1.074  ? ? 1796 ? 'X-RAY DIFFRACTION' 
f_dihedral_angle_d 18.351 ? ? 506  ? 'X-RAY DIFFRACTION' 
f_chiral_restr     0.067  ? ? 202  ? 'X-RAY DIFFRACTION' 
f_plane_restr      0.004  ? ? 186  ? '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 
. 2.0000 2.0646  1197 0.2308 100.00 0.2681 . . 133 . . . . 'X-RAY DIFFRACTION' 
. 2.0646 2.1383  1188 0.2126 100.00 0.2806 . . 132 . . . . 'X-RAY DIFFRACTION' 
. 2.1383 2.2239  1192 0.1925 100.00 0.2469 . . 132 . . . . 'X-RAY DIFFRACTION' 
. 2.2239 2.3251  1205 0.1993 100.00 0.2404 . . 134 . . . . 'X-RAY DIFFRACTION' 
. 2.3251 2.4476  1209 0.1872 100.00 0.2571 . . 135 . . . . 'X-RAY DIFFRACTION' 
. 2.4476 2.6009  1224 0.2059 100.00 0.2253 . . 135 . . . . 'X-RAY DIFFRACTION' 
. 2.6009 2.8016  1212 0.2186 100.00 0.2443 . . 136 . . . . 'X-RAY DIFFRACTION' 
. 2.8016 3.0832  1229 0.1989 100.00 0.2554 . . 136 . . . . 'X-RAY DIFFRACTION' 
. 3.0832 3.5287  1251 0.1783 100.00 0.2082 . . 139 . . . . 'X-RAY DIFFRACTION' 
. 3.5287 4.4433  1265 0.1561 100.00 0.1903 . . 141 . . . . 'X-RAY DIFFRACTION' 
. 4.4433 29.3061 1333 0.1953 95.00  0.2194 . . 148 . . . . 'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  4LB5 
_struct.title                     'Crystal structure of PKZ Zalpha in complex with ds(CG)6 (hexagonal 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        4LB5 
_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 1 ? 
C N N 2 ? 
D N N 3 ? 
E N N 3 ? 
F N N 3 ? 
G N N 4 ? 
H N N 4 ? 
I N N 4 ? 
# 
_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 11 ? GLY A 24 ? GLU A 9  GLY A 22 1 ? 14 
HELX_P HELX_P2 2 THR A 27 ? LYS A 36 ? THR A 25 LYS A 34 1 ? 10 
HELX_P HELX_P3 3 GLU A 38 ? SER A 52 ? GLU A 36 SER A 50 1 ? 15 
HELX_P HELX_P4 4 ASN B 10 ? GLY B 24 ? ASN B 8  GLY B 22 1 ? 15 
HELX_P HELX_P5 5 THR B 27 ? LYS B 36 ? THR B 25 LYS B 34 1 ? 10 
HELX_P HELX_P6 6 GLU B 38 ? SER B 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 ? ? C DC 2  N3 ? ? ? 1_555 C DG 13 N1 ? ? C DC 1  C DG 12 10_554 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog2  hydrog ? ? C DC 2  N4 ? ? ? 1_555 C DG 13 O6 ? ? C DC 1  C DG 12 10_554 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog3  hydrog ? ? C DC 2  O2 ? ? ? 1_555 C DG 13 N2 ? ? C DC 1  C DG 12 10_554 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog4  hydrog ? ? C DG 3  N1 ? ? ? 1_555 C DC 12 N3 ? ? C DG 2  C DC 11 10_554 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog5  hydrog ? ? C DG 3  N2 ? ? ? 1_555 C DC 12 O2 ? ? C DG 2  C DC 11 10_554 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog6  hydrog ? ? C DG 3  O6 ? ? ? 1_555 C DC 12 N4 ? ? C DG 2  C DC 11 10_554 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog7  hydrog ? ? C DC 4  N3 ? ? ? 1_555 C DG 11 N1 ? ? C DC 3  C DG 10 10_554 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog8  hydrog ? ? C DC 4  N4 ? ? ? 1_555 C DG 11 O6 ? ? C DC 3  C DG 10 10_554 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog9  hydrog ? ? C DC 4  O2 ? ? ? 1_555 C DG 11 N2 ? ? C DC 3  C DG 10 10_554 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog10 hydrog ? ? C DG 5  N1 ? ? ? 1_555 C DC 10 N3 ? ? C DG 4  C DC 9  10_554 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog11 hydrog ? ? C DG 5  N2 ? ? ? 1_555 C DC 10 O2 ? ? C DG 4  C DC 9  10_554 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog12 hydrog ? ? C DG 5  O6 ? ? ? 1_555 C DC 10 N4 ? ? C DG 4  C DC 9  10_554 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog13 hydrog ? ? C DC 6  N3 ? ? ? 1_555 C DG 9  N1 ? ? C DC 5  C DG 8  10_554 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog14 hydrog ? ? C DC 6  N4 ? ? ? 1_555 C DG 9  O6 ? ? C DC 5  C DG 8  10_554 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog15 hydrog ? ? C DC 6  O2 ? ? ? 1_555 C DG 9  N2 ? ? C DC 5  C DG 8  10_554 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog16 hydrog ? ? C DG 7  N1 ? ? ? 1_555 C DC 8  N3 ? ? C DG 6  C DC 7  10_554 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog17 hydrog ? ? C DG 7  N2 ? ? ? 1_555 C DC 8  O2 ? ? C DG 6  C DC 7  10_554 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog18 hydrog ? ? C DG 7  O6 ? ? ? 1_555 C DC 8  N4 ? ? C DG 6  C DC 7  10_554 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog19 hydrog ? ? C DC 8  N3 ? ? ? 1_555 C DG 7  N1 ? ? C DC 7  C DG 6  10_554 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog20 hydrog ? ? C DC 8  N4 ? ? ? 1_555 C DG 7  O6 ? ? C DC 7  C DG 6  10_554 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog21 hydrog ? ? C DC 8  O2 ? ? ? 1_555 C DG 7  N2 ? ? C DC 7  C DG 6  10_554 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog22 hydrog ? ? C DG 9  N1 ? ? ? 1_555 C DC 6  N3 ? ? C DG 8  C DC 5  10_554 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog23 hydrog ? ? C DG 9  N2 ? ? ? 1_555 C DC 6  O2 ? ? C DG 8  C DC 5  10_554 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog24 hydrog ? ? C DG 9  O6 ? ? ? 1_555 C DC 6  N4 ? ? C DG 8  C DC 5  10_554 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog25 hydrog ? ? C DC 10 N3 ? ? ? 1_555 C DG 5  N1 ? ? C DC 9  C DG 4  10_554 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog26 hydrog ? ? C DC 10 N4 ? ? ? 1_555 C DG 5  O6 ? ? C DC 9  C DG 4  10_554 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog27 hydrog ? ? C DC 10 O2 ? ? ? 1_555 C DG 5  N2 ? ? C DC 9  C DG 4  10_554 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog28 hydrog ? ? C DG 11 N1 ? ? ? 1_555 C DC 4  N3 ? ? C DG 10 C DC 3  10_554 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog29 hydrog ? ? C DG 11 N2 ? ? ? 1_555 C DC 4  O2 ? ? C DG 10 C DC 3  10_554 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog30 hydrog ? ? C DG 11 O6 ? ? ? 1_555 C DC 4  N4 ? ? C DG 10 C DC 3  10_554 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog31 hydrog ? ? C DC 12 N3 ? ? ? 1_555 C DG 3  N1 ? ? C DC 11 C DG 2  10_554 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog32 hydrog ? ? C DC 12 N4 ? ? ? 1_555 C DG 3  O6 ? ? C DC 11 C DG 2  10_554 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog33 hydrog ? ? C DC 12 O2 ? ? ? 1_555 C DG 3  N2 ? ? C DC 11 C DG 2  10_554 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog34 hydrog ? ? C DG 13 N1 ? ? ? 1_555 C DC 2  N3 ? ? C DG 12 C DC 1  10_554 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog35 hydrog ? ? C DG 13 N2 ? ? ? 1_555 C DC 2  O2 ? ? C DG 12 C DC 1  10_554 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog36 hydrog ? ? C DG 13 O6 ? ? ? 1_555 C DC 2  N4 ? ? C DG 12 C DC 1  10_554 ? ? ? ? ? ? WATSON-CRICK ? ? 
# 
_struct_conn_type.id          hydrog 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
A ? 2 ? 
B ? 2 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
A 1 2 ? anti-parallel 
B 1 2 ? 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 A 53 THR A 56 
A 2 VAL A 66 ? LEU A 69 ? VAL A 64 LEU A 67 
B 1 VAL B 55 ? THR B 58 ? VAL B 53 THR B 56 
B 2 VAL B 66 ? LEU B 69 ? VAL B 64 LEU B 67 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
A 1 2 N PHE A 56 ? N PHE A 54 O ASN A 68 ? O ASN A 66 
B 1 2 N THR B 58 ? N THR B 56 O VAL B 66 ? O VAL B 64 
# 
loop_
_struct_site.id 
_struct_site.pdbx_evidence_code 
_struct_site.pdbx_auth_asym_id 
_struct_site.pdbx_auth_comp_id 
_struct_site.pdbx_auth_seq_id 
_struct_site.pdbx_auth_ins_code 
_struct_site.pdbx_num_residues 
_struct_site.details 
AC1 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE ACT A 101' 
AC2 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE ACT A 102' 
AC3 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE ACT B 101' 
# 
loop_
_struct_site_gen.id 
_struct_site_gen.site_id 
_struct_site_gen.pdbx_num_res 
_struct_site_gen.label_comp_id 
_struct_site_gen.label_asym_id 
_struct_site_gen.label_seq_id 
_struct_site_gen.pdbx_auth_ins_code 
_struct_site_gen.auth_comp_id 
_struct_site_gen.auth_asym_id 
_struct_site_gen.auth_seq_id 
_struct_site_gen.label_atom_id 
_struct_site_gen.label_alt_id 
_struct_site_gen.symmetry 
_struct_site_gen.details 
1 AC1 2 GLU A 38 ? GLU A 36 . ? 1_555 ? 
2 AC1 2 THR A 41 ? THR A 39 . ? 1_555 ? 
3 AC2 3 HIS A 23 ? HIS A 21 . ? 1_555 ? 
4 AC2 3 GLY A 24 ? GLY A 22 . ? 1_555 ? 
5 AC2 3 ARG A 25 ? ARG A 23 . ? 1_555 ? 
6 AC3 2 LYS B 63 ? LYS B 61 . ? 1_555 ? 
7 AC3 2 ARG B 64 ? ARG B 62 . ? 1_555 ? 
# 
_database_PDB_matrix.entry_id          4LB5 
_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                    4LB5 
_atom_sites.fract_transf_matrix[1][1]   0.017587 
_atom_sites.fract_transf_matrix[1][2]   0.010154 
_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]   0.020308 
_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]   0.004571 
_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 11 ? -44.711 11.711  -15.473 1.00 58.99  ? 9   GLU A N     1 
ATOM   2    C CA    . GLU A 1 11 ? -45.536 10.777  -14.711 1.00 64.48  ? 9   GLU A CA    1 
ATOM   3    C C     . GLU A 1 11 ? -44.847 10.418  -13.398 1.00 64.99  ? 9   GLU A C     1 
ATOM   4    O O     . GLU A 1 11 ? -45.410 10.582  -12.314 1.00 55.77  ? 9   GLU A O     1 
ATOM   5    C CB    . GLU A 1 11 ? -45.794 9.507   -15.519 1.00 66.41  ? 9   GLU A CB    1 
ATOM   6    C CG    . GLU A 1 11 ? -47.221 8.972   -15.410 1.00 82.46  ? 9   GLU A CG    1 
ATOM   7    C CD    . GLU A 1 11 ? -47.481 8.198   -14.127 1.00 87.75  ? 9   GLU A CD    1 
ATOM   8    O OE1   . GLU A 1 11 ? -46.506 7.833   -13.438 1.00 84.47  ? 9   GLU A OE1   1 
ATOM   9    O OE2   . GLU A 1 11 ? -48.668 7.947   -13.815 1.00 93.38  ? 9   GLU A OE2   1 
ATOM   10   N N     . ILE A 1 12 ? -43.625 9.910   -13.505 1.00 58.49  ? 10  ILE A N     1 
ATOM   11   C CA    . ILE A 1 12 ? -42.825 9.638   -12.322 1.00 52.16  ? 10  ILE A CA    1 
ATOM   12   C C     . ILE A 1 12 ? -42.664 10.919  -11.514 1.00 49.28  ? 10  ILE A C     1 
ATOM   13   O O     . ILE A 1 12 ? -42.754 10.900  -10.292 1.00 48.76  ? 10  ILE A O     1 
ATOM   14   C CB    . ILE A 1 12 ? -41.454 9.025   -12.684 1.00 62.28  ? 10  ILE A CB    1 
ATOM   15   C CG1   . ILE A 1 12 ? -41.640 7.603   -13.225 1.00 54.77  ? 10  ILE A CG1   1 
ATOM   16   C CG2   . ILE A 1 12 ? -40.539 9.000   -11.473 1.00 59.01  ? 10  ILE A CG2   1 
ATOM   17   C CD1   . ILE A 1 12 ? -40.350 6.867   -13.508 1.00 57.99  ? 10  ILE A CD1   1 
ATOM   18   N N     . GLU A 1 13 ? -42.459 12.037  -12.200 1.00 55.82  ? 11  GLU A N     1 
ATOM   19   C CA    . GLU A 1 13 ? -42.293 13.310  -11.506 1.00 53.60  ? 11  GLU A CA    1 
ATOM   20   C C     . GLU A 1 13 ? -43.571 13.714  -10.792 1.00 52.63  ? 11  GLU A C     1 
ATOM   21   O O     . GLU A 1 13 ? -43.530 14.314  -9.719  1.00 52.08  ? 11  GLU A O     1 
ATOM   22   C CB    . GLU A 1 13 ? -41.785 14.404  -12.455 1.00 55.96  ? 11  GLU A CB    1 
ATOM   23   C CG    . GLU A 1 13 ? -40.333 14.160  -12.859 1.00 55.23  ? 11  GLU A CG    1 
ATOM   24   C CD    . GLU A 1 13 ? -39.725 15.249  -13.729 1.00 57.38  ? 11  GLU A CD    1 
ATOM   25   O OE1   . GLU A 1 13 ? -40.423 16.225  -14.063 1.00 60.13  ? 11  GLU A OE1   1 
ATOM   26   O OE2   . GLU A 1 13 ? -38.528 15.116  -14.078 1.00 60.36  ? 11  GLU A OE2   1 
ATOM   27   N N     . MET A 1 14 ? -44.711 13.350  -11.380 1.00 51.99  ? 12  MET A N     1 
ATOM   28   C CA    . MET A 1 14 ? -45.991 13.611  -10.757 1.00 52.29  ? 12  MET A CA    1 
ATOM   29   C C     . MET A 1 14 ? -46.076 12.852  -9.443  1.00 53.06  ? 12  MET A C     1 
ATOM   30   O O     . MET A 1 14 ? -46.450 13.413  -8.416  1.00 53.39  ? 12  MET A O     1 
ATOM   31   C CB    . MET A 1 14 ? -47.125 13.184  -11.691 1.00 55.70  ? 12  MET A CB    1 
ATOM   32   C CG    . MET A 1 14 ? -48.495 13.642  -11.272 1.00 68.82  ? 12  MET A CG    1 
ATOM   33   S SD    . MET A 1 14 ? -49.720 12.804  -12.285 1.00 66.78  ? 12  MET A SD    1 
ATOM   34   C CE    . MET A 1 14 ? -49.056 13.113  -13.923 1.00 66.00  ? 12  MET A CE    1 
ATOM   35   N N     . ARG A 1 15 ? -45.698 11.581  -9.476  1.00 53.84  ? 13  ARG A N     1 
ATOM   36   C CA    . ARG A 1 15 ? -45.796 10.721  -8.302  1.00 55.48  ? 13  ARG A CA    1 
ATOM   37   C C     . ARG A 1 15 ? -44.841 11.165  -7.197  1.00 52.70  ? 13  ARG A C     1 
ATOM   38   O O     . ARG A 1 15 ? -45.159 11.077  -6.010  1.00 54.20  ? 13  ARG A O     1 
ATOM   39   C CB    . ARG A 1 15 ? -45.529 9.260   -8.680  1.00 57.39  ? 13  ARG A CB    1 
ATOM   40   C CG    . ARG A 1 15 ? -46.505 8.677   -9.708  1.00 62.17  ? 13  ARG A CG    1 
ATOM   41   C CD    . ARG A 1 15 ? -46.221 7.195   -9.935  1.00 63.74  ? 13  ARG A CD    1 
ATOM   42   N NE    . ARG A 1 15 ? -46.337 6.445   -8.688  1.00 73.79  ? 13  ARG A NE    1 
ATOM   43   C CZ    . ARG A 1 15 ? -45.659 5.338   -8.404  1.00 73.26  ? 13  ARG A CZ    1 
ATOM   44   N NH1   . ARG A 1 15 ? -44.802 4.829   -9.278  1.00 66.22  ? 13  ARG A NH1   1 
ATOM   45   N NH2   . ARG A 1 15 ? -45.836 4.739   -7.235  1.00 80.15  ? 13  ARG A NH2   1 
ATOM   46   N N     . ILE A 1 16 ? -43.663 11.635  -7.595  1.00 49.22  ? 14  ILE A N     1 
ATOM   47   C CA    . ILE A 1 16 ? -42.686 12.143  -6.637  1.00 46.73  ? 14  ILE A CA    1 
ATOM   48   C C     . ILE A 1 16 ? -43.202 13.408  -5.951  1.00 53.60  ? 14  ILE A C     1 
ATOM   49   O O     . ILE A 1 16 ? -43.206 13.497  -4.722  1.00 53.37  ? 14  ILE A O     1 
ATOM   50   C CB    . ILE A 1 16 ? -41.338 12.425  -7.309  1.00 43.73  ? 14  ILE A CB    1 
ATOM   51   C CG1   . ILE A 1 16 ? -40.721 11.116  -7.804  1.00 44.15  ? 14  ILE A CG1   1 
ATOM   52   C CG2   . ILE A 1 16 ? -40.389 13.108  -6.335  1.00 41.59  ? 14  ILE A CG2   1 
ATOM   53   C CD1   . ILE A 1 16 ? -39.449 11.292  -8.602  1.00 42.11  ? 14  ILE A CD1   1 
ATOM   54   N N     . CYS A 1 17 ? -43.646 14.378  -6.744  1.00 46.57  ? 15  CYS A N     1 
ATOM   55   C CA    . CYS A 1 17 ? -44.184 15.620  -6.187  1.00 48.72  ? 15  CYS A CA    1 
ATOM   56   C C     . CYS A 1 17 ? -45.396 15.345  -5.308  1.00 51.88  ? 15  CYS A C     1 
ATOM   57   O O     . CYS A 1 17 ? -45.611 16.024  -4.308  1.00 53.32  ? 15  CYS A O     1 
ATOM   58   C CB    . CYS A 1 17 ? -44.544 16.609  -7.298  1.00 47.76  ? 15  CYS A CB    1 
ATOM   59   S SG    . CYS A 1 17 ? -43.109 17.263  -8.200  1.00 48.86  ? 15  CYS A SG    1 
ATOM   60   N N     . ASP A 1 18 ? -46.178 14.334  -5.673  1.00 53.04  ? 16  ASP A N     1 
ATOM   61   C CA    . ASP A 1 18 ? -47.348 13.963  -4.880  1.00 58.85  ? 16  ASP A CA    1 
ATOM   62   C C     . ASP A 1 18 ? -46.947 13.363  -3.533  1.00 58.36  ? 16  ASP A C     1 
ATOM   63   O O     . ASP A 1 18 ? -47.604 13.606  -2.521  1.00 65.04  ? 16  ASP A O     1 
ATOM   64   C CB    . ASP A 1 18 ? -48.238 12.988  -5.650  1.00 60.29  ? 16  ASP A CB    1 
ATOM   65   C CG    . ASP A 1 18 ? -49.410 12.489  -4.825  1.00 77.13  ? 16  ASP A CG    1 
ATOM   66   O OD1   . ASP A 1 18 ? -50.475 13.144  -4.840  1.00 83.12  ? 16  ASP A OD1   1 
ATOM   67   O OD2   . ASP A 1 18 ? -49.267 11.440  -4.161  1.00 75.47  ? 16  ASP A OD2   1 
ATOM   68   N N     . TYR A 1 19 ? -45.883 12.566  -3.525  1.00 56.23  ? 17  TYR A N     1 
ATOM   69   C CA    . TYR A 1 19 ? -45.393 11.998  -2.276  1.00 57.23  ? 17  TYR A CA    1 
ATOM   70   C C     . TYR A 1 19 ? -44.933 13.129  -1.375  1.00 55.83  ? 17  TYR A C     1 
ATOM   71   O O     . TYR A 1 19 ? -45.289 13.176  -0.202  1.00 58.75  ? 17  TYR A O     1 
ATOM   72   C CB    . TYR A 1 19 ? -44.243 11.002  -2.498  1.00 55.23  ? 17  TYR A CB    1 
ATOM   73   C CG    . TYR A 1 19 ? -43.779 10.355  -1.208  1.00 65.98  ? 17  TYR A CG    1 
ATOM   74   C CD1   . TYR A 1 19 ? -44.403 9.215   -0.715  1.00 73.33  ? 17  TYR A CD1   1 
ATOM   75   C CD2   . TYR A 1 19 ? -42.734 10.899  -0.468  1.00 58.39  ? 17  TYR A CD2   1 
ATOM   76   C CE1   . TYR A 1 19 ? -43.992 8.625   0.470   1.00 72.74  ? 17  TYR A CE1   1 
ATOM   77   C CE2   . TYR A 1 19 ? -42.317 10.315  0.719   1.00 62.05  ? 17  TYR A CE2   1 
ATOM   78   C CZ    . TYR A 1 19 ? -42.953 9.179   1.182   1.00 67.36  ? 17  TYR A CZ    1 
ATOM   79   O OH    . TYR A 1 19 ? -42.544 8.593   2.359   1.00 65.76  ? 17  TYR A OH    1 
ATOM   80   N N     . LEU A 1 20 ? -44.144 14.037  -1.942  1.00 52.00  ? 18  LEU A N     1 
ATOM   81   C CA    . LEU A 1 20 ? -43.664 15.208  -1.218  1.00 50.96  ? 18  LEU A CA    1 
ATOM   82   C C     . LEU A 1 20 ? -44.805 16.101  -0.732  1.00 54.11  ? 18  LEU A C     1 
ATOM   83   O O     . LEU A 1 20 ? -44.788 16.585  0.400   1.00 56.83  ? 18  LEU A O     1 
ATOM   84   C CB    . LEU A 1 20 ? -42.695 16.012  -2.087  1.00 50.15  ? 18  LEU A CB    1 
ATOM   85   C CG    . LEU A 1 20 ? -41.397 15.264  -2.394  1.00 51.22  ? 18  LEU A CG    1 
ATOM   86   C CD1   . LEU A 1 20 ? -40.446 16.134  -3.200  1.00 43.84  ? 18  LEU A CD1   1 
ATOM   87   C CD2   . LEU A 1 20 ? -40.758 14.805  -1.091  1.00 44.93  ? 18  LEU A CD2   1 
ATOM   88   N N     . ARG A 1 21 ? -45.795 16.311  -1.590  1.00 55.27  ? 19  ARG A N     1 
ATOM   89   C CA    . ARG A 1 21 ? -46.933 17.146  -1.230  1.00 58.64  ? 19  ARG A CA    1 
ATOM   90   C C     . ARG A 1 21 ? -47.677 16.586  -0.015  1.00 67.99  ? 19  ARG A C     1 
ATOM   91   O O     . ARG A 1 21 ? -48.208 17.340  0.793   1.00 67.31  ? 19  ARG A O     1 
ATOM   92   C CB    . ARG A 1 21 ? -47.874 17.306  -2.424  1.00 61.97  ? 19  ARG A CB    1 
ATOM   93   C CG    . ARG A 1 21 ? -48.988 18.318  -2.201  1.00 65.88  ? 19  ARG A CG    1 
ATOM   94   C CD    . ARG A 1 21 ? -49.717 18.612  -3.502  1.00 70.51  ? 19  ARG A CD    1 
ATOM   95   N NE    . ARG A 1 21 ? -48.858 19.283  -4.476  1.00 65.26  ? 19  ARG A NE    1 
ATOM   96   C CZ    . ARG A 1 21 ? -48.446 18.737  -5.614  1.00 64.66  ? 19  ARG A CZ    1 
ATOM   97   N NH1   . ARG A 1 21 ? -48.807 17.497  -5.928  1.00 63.63  ? 19  ARG A NH1   1 
ATOM   98   N NH2   . ARG A 1 21 ? -47.669 19.430  -6.438  1.00 65.43  ? 19  ARG A NH2   1 
ATOM   99   N N     . ARG A 1 22 ? -47.688 15.262  0.122   1.00 68.11  ? 20  ARG A N     1 
ATOM   100  C CA    . ARG A 1 22 ? -48.391 14.607  1.224   1.00 69.93  ? 20  ARG A CA    1 
ATOM   101  C C     . ARG A 1 22 ? -47.536 14.395  2.478   1.00 70.28  ? 20  ARG A C     1 
ATOM   102  O O     . ARG A 1 22 ? -48.011 14.595  3.591   1.00 74.67  ? 20  ARG A O     1 
ATOM   103  C CB    . ARG A 1 22 ? -48.983 13.270  0.766   1.00 76.99  ? 20  ARG A CB    1 
ATOM   104  C CG    . ARG A 1 22 ? -50.167 13.400  -0.189  1.00 82.80  ? 20  ARG A CG    1 
ATOM   105  C CD    . ARG A 1 22 ? -50.764 12.038  -0.552  1.00 89.86  ? 20  ARG A CD    1 
ATOM   106  N NE    . ARG A 1 22 ? -49.830 11.211  -1.315  1.00 94.76  ? 20  ARG A NE    1 
ATOM   107  C CZ    . ARG A 1 22 ? -49.186 10.153  -0.827  1.00 101.67 ? 20  ARG A CZ    1 
ATOM   108  N NH1   . ARG A 1 22 ? -49.382 9.776   0.429   1.00 107.40 ? 20  ARG A NH1   1 
ATOM   109  N NH2   . ARG A 1 22 ? -48.349 9.467   -1.598  1.00 99.71  ? 20  ARG A NH2   1 
ATOM   110  N N     . HIS A 1 23 ? -46.277 13.998  2.301   1.00 66.11  ? 21  HIS A N     1 
ATOM   111  C CA    . HIS A 1 23 ? -45.443 13.603  3.437   1.00 70.28  ? 21  HIS A CA    1 
ATOM   112  C C     . HIS A 1 23 ? -44.411 14.648  3.872   1.00 66.22  ? 21  HIS A C     1 
ATOM   113  O O     . HIS A 1 23 ? -43.822 14.532  4.947   1.00 64.88  ? 21  HIS A O     1 
ATOM   114  C CB    . HIS A 1 23 ? -44.751 12.261  3.157   1.00 72.08  ? 21  HIS A CB    1 
ATOM   115  C CG    . HIS A 1 23 ? -45.701 11.115  3.013   1.00 83.38  ? 21  HIS A CG    1 
ATOM   116  N ND1   . HIS A 1 23 ? -46.096 10.334  4.080   1.00 92.77  ? 21  HIS A ND1   1 
ATOM   117  C CD2   . HIS A 1 23 ? -46.349 10.620  1.931   1.00 83.93  ? 21  HIS A CD2   1 
ATOM   118  C CE1   . HIS A 1 23 ? -46.941 9.411   3.662   1.00 95.21  ? 21  HIS A CE1   1 
ATOM   119  N NE2   . HIS A 1 23 ? -47.111 9.562   2.359   1.00 87.77  ? 21  HIS A NE2   1 
ATOM   120  N N     . GLY A 1 24 ? -44.196 15.665  3.044   1.00 64.41  ? 22  GLY A N     1 
ATOM   121  C CA    . GLY A 1 24 ? -43.213 16.690  3.350   1.00 61.77  ? 22  GLY A CA    1 
ATOM   122  C C     . GLY A 1 24 ? -41.792 16.176  3.221   1.00 59.27  ? 22  GLY A C     1 
ATOM   123  O O     . GLY A 1 24 ? -41.513 15.323  2.376   1.00 54.28  ? 22  GLY A O     1 
ATOM   124  N N     . ARG A 1 25 ? -40.899 16.690  4.065   1.00 53.91  ? 23  ARG A N     1 
ATOM   125  C CA    . ARG A 1 25 ? -39.479 16.331  4.022   1.00 50.79  ? 23  ARG A CA    1 
ATOM   126  C C     . ARG A 1 25 ? -39.248 14.823  3.934   1.00 57.02  ? 23  ARG A C     1 
ATOM   127  O O     . ARG A 1 25 ? -39.704 14.055  4.779   1.00 53.97  ? 23  ARG A O     1 
ATOM   128  C CB    . ARG A 1 25 ? -38.733 16.920  5.221   1.00 59.23  ? 23  ARG A CB    1 
ATOM   129  C CG    . ARG A 1 25 ? -38.507 18.422  5.116   1.00 62.22  ? 23  ARG A CG    1 
ATOM   130  C CD    . ARG A 1 25 ? -37.975 19.017  6.417   1.00 57.33  ? 23  ARG A CD    1 
ATOM   131  N NE    . ARG A 1 25 ? -36.830 18.289  6.957   1.00 56.28  ? 23  ARG A NE    1 
ATOM   132  C CZ    . ARG A 1 25 ? -35.597 18.357  6.462   1.00 49.94  ? 23  ARG A CZ    1 
ATOM   133  N NH1   . ARG A 1 25 ? -35.345 19.103  5.394   1.00 52.18  ? 23  ARG A NH1   1 
ATOM   134  N NH2   . ARG A 1 25 ? -34.617 17.668  7.027   1.00 50.83  ? 23  ARG A NH2   1 
ATOM   135  N N     . SER A 1 26 ? -38.549 14.405  2.887   1.00 47.18  ? 24  SER A N     1 
ATOM   136  C CA    . SER A 1 26 ? -38.350 12.982  2.632   1.00 49.03  ? 24  SER A CA    1 
ATOM   137  C C     . SER A 1 26 ? -36.979 12.708  2.036   1.00 48.76  ? 24  SER A C     1 
ATOM   138  O O     . SER A 1 26 ? -36.488 13.482  1.214   1.00 51.49  ? 24  SER A O     1 
ATOM   139  C CB    . SER A 1 26 ? -39.434 12.461  1.689   1.00 48.20  ? 24  SER A CB    1 
ATOM   140  O OG    . SER A 1 26 ? -40.737 12.725  2.191   1.00 51.80  ? 24  SER A OG    1 
ATOM   141  N N     . THR A 1 27 ? -36.359 11.609  2.454   1.00 50.12  ? 25  THR A N     1 
ATOM   142  C CA    . THR A 1 27 ? -35.119 11.161  1.829   1.00 50.39  ? 25  THR A CA    1 
ATOM   143  C C     . THR A 1 27 ? -35.484 10.421  0.558   1.00 50.53  ? 25  THR A C     1 
ATOM   144  O O     . THR A 1 27 ? -36.627 10.006  0.392   1.00 46.15  ? 25  THR A O     1 
ATOM   145  C CB    . THR A 1 27 ? -34.337 10.191  2.731   1.00 49.63  ? 25  THR A CB    1 
ATOM   146  O OG1   . THR A 1 27 ? -35.145 9.037   2.995   1.00 56.21  ? 25  THR A OG1   1 
ATOM   147  C CG2   . THR A 1 27 ? -33.958 10.861  4.047   1.00 45.69  ? 25  THR A CG2   1 
ATOM   148  N N     . VAL A 1 28 ? -34.522 10.244  -0.340  1.00 42.53  ? 26  VAL A N     1 
ATOM   149  C CA    . VAL A 1 28 ? -34.797 9.482   -1.549  1.00 47.33  ? 26  VAL A CA    1 
ATOM   150  C C     . VAL A 1 28 ? -35.260 8.071   -1.157  1.00 51.00  ? 26  VAL A C     1 
ATOM   151  O O     . VAL A 1 28 ? -36.101 7.475   -1.830  1.00 49.79  ? 26  VAL A O     1 
ATOM   152  C CB    . VAL A 1 28 ? -33.578 9.443   -2.505  1.00 40.78  ? 26  VAL A CB    1 
ATOM   153  C CG1   . VAL A 1 28 ? -32.424 8.666   -1.890  1.00 44.68  ? 26  VAL A CG1   1 
ATOM   154  C CG2   . VAL A 1 28 ? -33.964 8.856   -3.841  1.00 46.09  ? 26  VAL A CG2   1 
ATOM   155  N N     . GLN A 1 29 ? -34.740 7.572   -0.036  1.00 50.70  ? 27  GLN A N     1 
ATOM   156  C CA    . GLN A 1 29 ? -35.104 6.253   0.471   1.00 58.30  ? 27  GLN A CA    1 
ATOM   157  C C     . GLN A 1 29 ? -36.586 6.151   0.807   1.00 56.65  ? 27  GLN A C     1 
ATOM   158  O O     . GLN A 1 29 ? -37.247 5.183   0.418   1.00 57.00  ? 27  GLN A O     1 
ATOM   159  C CB    . GLN A 1 29 ? -34.252 5.872   1.684   1.00 62.24  ? 27  GLN A CB    1 
ATOM   160  C CG    . GLN A 1 29 ? -32.828 5.472   1.340   1.00 62.30  ? 27  GLN A CG    1 
ATOM   161  C CD    . GLN A 1 29 ? -31.949 6.660   1.001   1.00 62.12  ? 27  GLN A CD    1 
ATOM   162  O OE1   . GLN A 1 29 ? -32.280 7.804   1.321   1.00 63.43  ? 27  GLN A OE1   1 
ATOM   163  N NE2   . GLN A 1 29 ? -30.819 6.396   0.354   1.00 62.72  ? 27  GLN A NE2   1 
ATOM   164  N N     . ASP A 1 30 ? -37.102 7.144   1.529   1.00 51.03  ? 28  ASP A N     1 
ATOM   165  C CA    . ASP A 1 30 ? -38.528 7.212   1.814   1.00 58.89  ? 28  ASP A CA    1 
ATOM   166  C C     . ASP A 1 30 ? -39.324 7.093   0.525   1.00 61.18  ? 28  ASP A C     1 
ATOM   167  O O     . ASP A 1 30 ? -40.242 6.278   0.410   1.00 60.95  ? 28  ASP A O     1 
ATOM   168  C CB    . ASP A 1 30 ? -38.887 8.538   2.491   1.00 58.04  ? 28  ASP A CB    1 
ATOM   169  C CG    . ASP A 1 30 ? -38.377 8.627   3.908   1.00 60.80  ? 28  ASP A CG    1 
ATOM   170  O OD1   . ASP A 1 30 ? -38.256 7.573   4.566   1.00 66.27  ? 28  ASP A OD1   1 
ATOM   171  O OD2   . ASP A 1 30 ? -38.105 9.758   4.365   1.00 57.45  ? 28  ASP A OD2   1 
ATOM   172  N N     . ILE A 1 31 ? -38.942 7.910   -0.449  1.00 55.66  ? 29  ILE A N     1 
ATOM   173  C CA    . ILE A 1 31 ? -39.671 8.012   -1.704  1.00 54.62  ? 29  ILE A CA    1 
ATOM   174  C C     . ILE A 1 31 ? -39.642 6.730   -2.529  1.00 55.72  ? 29  ILE A C     1 
ATOM   175  O O     . ILE A 1 31 ? -40.694 6.239   -2.939  1.00 55.16  ? 29  ILE A O     1 
ATOM   176  C CB    . ILE A 1 31 ? -39.138 9.171   -2.561  1.00 52.87  ? 29  ILE A CB    1 
ATOM   177  C CG1   . ILE A 1 31 ? -39.263 10.496  -1.803  1.00 45.21  ? 29  ILE A CG1   1 
ATOM   178  C CG2   . ILE A 1 31 ? -39.869 9.230   -3.893  1.00 46.50  ? 29  ILE A CG2   1 
ATOM   179  C CD1   . ILE A 1 31 ? -38.405 11.605  -2.386  1.00 43.23  ? 29  ILE A CD1   1 
ATOM   180  N N     . PHE A 1 32 ? -38.454 6.183   -2.787  1.00 57.47  ? 30  PHE A N     1 
ATOM   181  C CA    . PHE A 1 32 ? -38.394 5.018   -3.671  1.00 60.07  ? 30  PHE A CA    1 
ATOM   182  C C     . PHE A 1 32 ? -39.033 3.766   -3.054  1.00 57.71  ? 30  PHE A C     1 
ATOM   183  O O     . PHE A 1 32 ? -39.642 2.961   -3.766  1.00 60.90  ? 30  PHE A O     1 
ATOM   184  C CB    . PHE A 1 32 ? -36.986 4.773   -4.269  1.00 50.16  ? 30  PHE A CB    1 
ATOM   185  C CG    . PHE A 1 32 ? -36.016 4.063   -3.355  1.00 55.52  ? 30  PHE A CG    1 
ATOM   186  C CD1   . PHE A 1 32 ? -36.130 2.701   -3.105  1.00 65.31  ? 30  PHE A CD1   1 
ATOM   187  C CD2   . PHE A 1 32 ? -34.939 4.744   -2.810  1.00 51.32  ? 30  PHE A CD2   1 
ATOM   188  C CE1   . PHE A 1 32 ? -35.222 2.049   -2.284  1.00 65.77  ? 30  PHE A CE1   1 
ATOM   189  C CE2   . PHE A 1 32 ? -34.023 4.096   -1.993  1.00 53.73  ? 30  PHE A CE2   1 
ATOM   190  C CZ    . PHE A 1 32 ? -34.168 2.752   -1.727  1.00 58.39  ? 30  PHE A CZ    1 
ATOM   191  N N     . LYS A 1 33 ? -38.916 3.631   -1.733  1.00 59.13  ? 31  LYS A N     1 
ATOM   192  C CA    . LYS A 1 33 ? -39.508 2.507   -1.013  1.00 64.85  ? 31  LYS A CA    1 
ATOM   193  C C     . LYS A 1 33 ? -41.024 2.499   -1.180  1.00 73.44  ? 31  LYS A C     1 
ATOM   194  O O     . LYS A 1 33 ? -41.623 1.460   -1.455  1.00 73.53  ? 31  LYS A O     1 
ATOM   195  C CB    . LYS A 1 33 ? -39.148 2.558   0.476   1.00 65.94  ? 31  LYS A CB    1 
ATOM   196  C CG    . LYS A 1 33 ? -37.746 2.065   0.809   1.00 64.52  ? 31  LYS A CG    1 
ATOM   197  N N     . GLU A 1 34 ? -41.630 3.671   -1.019  1.00 66.91  ? 32  GLU A N     1 
ATOM   198  C CA    . GLU A 1 34 ? -43.075 3.820   -1.120  1.00 72.31  ? 32  GLU A CA    1 
ATOM   199  C C     . GLU A 1 34 ? -43.551 3.695   -2.565  1.00 73.86  ? 32  GLU A C     1 
ATOM   200  O O     . GLU A 1 34 ? -44.530 3.006   -2.845  1.00 75.24  ? 32  GLU A O     1 
ATOM   201  C CB    . GLU A 1 34 ? -43.519 5.162   -0.531  1.00 68.88  ? 32  GLU A CB    1 
ATOM   202  C CG    . GLU A 1 34 ? -45.016 5.425   -0.651  1.00 78.36  ? 32  GLU A CG    1 
ATOM   203  C CD    . GLU A 1 34 ? -45.852 4.490   0.212   1.00 87.20  ? 32  GLU A CD    1 
ATOM   204  O OE1   . GLU A 1 34 ? -45.407 4.159   1.332   1.00 89.98  ? 32  GLU A OE1   1 
ATOM   205  O OE2   . GLU A 1 34 ? -46.951 4.087   -0.228  1.00 84.40  ? 32  GLU A OE2   1 
ATOM   206  N N     . LEU A 1 35 ? -42.845 4.347   -3.483  1.00 65.22  ? 33  LEU A N     1 
ATOM   207  C CA    . LEU A 1 35 ? -43.277 4.380   -4.875  1.00 65.05  ? 33  LEU A CA    1 
ATOM   208  C C     . LEU A 1 35 ? -42.935 3.101   -5.642  1.00 67.51  ? 33  LEU A C     1 
ATOM   209  O O     . LEU A 1 35 ? -43.391 2.916   -6.769  1.00 68.78  ? 33  LEU A O     1 
ATOM   210  C CB    . LEU A 1 35 ? -42.699 5.603   -5.594  1.00 59.62  ? 33  LEU A CB    1 
ATOM   211  C CG    . LEU A 1 35 ? -43.141 6.983   -5.098  1.00 57.63  ? 33  LEU A CG    1 
ATOM   212  C CD1   . LEU A 1 35 ? -42.626 8.061   -6.048  1.00 56.99  ? 33  LEU A CD1   1 
ATOM   213  C CD2   . LEU A 1 35 ? -44.650 7.058   -4.953  1.00 61.62  ? 33  LEU A CD2   1 
ATOM   214  N N     . LYS A 1 36 ? -42.138 2.233   -5.018  1.00 68.60  ? 34  LYS A N     1 
ATOM   215  C CA    . LYS A 1 36 ? -41.647 1.011   -5.654  1.00 71.17  ? 34  LYS A CA    1 
ATOM   216  C C     . LYS A 1 36 ? -40.854 1.351   -6.914  1.00 67.48  ? 34  LYS A C     1 
ATOM   217  O O     . LYS A 1 36 ? -41.181 0.902   -8.011  1.00 69.72  ? 34  LYS A O     1 
ATOM   218  C CB    . LYS A 1 36 ? -42.797 0.041   -5.970  1.00 77.76  ? 34  LYS A CB    1 
ATOM   219  N N     . LEU A 1 37 ? -39.815 2.162   -6.743  1.00 62.90  ? 35  LEU A N     1 
ATOM   220  C CA    . LEU A 1 37 ? -38.979 2.597   -7.858  1.00 64.54  ? 35  LEU A CA    1 
ATOM   221  C C     . LEU A 1 37 ? -37.504 2.470   -7.502  1.00 56.94  ? 35  LEU A C     1 
ATOM   222  O O     . LEU A 1 37 ? -37.149 2.403   -6.323  1.00 56.44  ? 35  LEU A O     1 
ATOM   223  C CB    . LEU A 1 37 ? -39.294 4.050   -8.230  1.00 61.50  ? 35  LEU A CB    1 
ATOM   224  C CG    . LEU A 1 37 ? -40.706 4.380   -8.731  1.00 66.26  ? 35  LEU A CG    1 
ATOM   225  C CD1   . LEU A 1 37 ? -40.892 5.889   -8.840  1.00 62.08  ? 35  LEU A CD1   1 
ATOM   226  C CD2   . LEU A 1 37 ? -40.990 3.711   -10.066 1.00 61.84  ? 35  LEU A CD2   1 
ATOM   227  N N     . GLU A 1 38 ? -36.652 2.437   -8.525  1.00 55.97  ? 36  GLU A N     1 
ATOM   228  C CA    . GLU A 1 38 ? -35.203 2.408   -8.344  1.00 58.02  ? 36  GLU A CA    1 
ATOM   229  C C     . GLU A 1 38 ? -34.717 3.711   -7.722  1.00 53.60  ? 36  GLU A C     1 
ATOM   230  O O     . GLU A 1 38 ? -35.201 4.782   -8.076  1.00 50.76  ? 36  GLU A O     1 
ATOM   231  C CB    . GLU A 1 38 ? -34.509 2.228   -9.696  1.00 70.37  ? 36  GLU A CB    1 
ATOM   232  C CG    . GLU A 1 38 ? -34.858 0.951   -10.424 1.00 86.80  ? 36  GLU A CG    1 
ATOM   233  C CD    . GLU A 1 38 ? -34.053 -0.223  -9.936  1.00 99.18  ? 36  GLU A CD    1 
ATOM   234  O OE1   . GLU A 1 38 ? -32.807 -0.144  -9.978  1.00 103.41 ? 36  GLU A OE1   1 
ATOM   235  O OE2   . GLU A 1 38 ? -34.665 -1.222  -9.506  1.00 107.95 ? 36  GLU A OE2   1 
ATOM   236  N N     . LYS A 1 39 ? -33.755 3.620   -6.808  1.00 46.47  ? 37  LYS A N     1 
ATOM   237  C CA    . LYS A 1 39 ? -33.161 4.812   -6.205  1.00 46.93  ? 37  LYS A CA    1 
ATOM   238  C C     . LYS A 1 39 ? -32.636 5.774   -7.272  1.00 36.48  ? 37  LYS A C     1 
ATOM   239  O O     . LYS A 1 39 ? -32.915 6.974   -7.219  1.00 36.88  ? 37  LYS A O     1 
ATOM   240  C CB    . LYS A 1 39 ? -32.033 4.445   -5.236  1.00 44.73  ? 37  LYS A CB    1 
ATOM   241  C CG    . LYS A 1 39 ? -31.391 5.667   -4.553  1.00 46.97  ? 37  LYS A CG    1 
ATOM   242  C CD    . LYS A 1 39 ? -30.502 5.278   -3.366  1.00 50.88  ? 37  LYS A CD    1 
ATOM   243  C CE    . LYS A 1 39 ? -29.066 5.041   -3.772  1.00 50.89  ? 37  LYS A CE    1 
ATOM   244  N NZ    . LYS A 1 39 ? -28.324 6.289   -4.106  1.00 39.63  ? 37  LYS A NZ    1 
ATOM   245  N N     . SER A 1 40 ? -31.903 5.238   -8.245  1.00 36.85  ? 38  SER A N     1 
ATOM   246  C CA    . SER A 1 40 ? -31.345 6.053   -9.330  1.00 40.64  ? 38  SER A CA    1 
ATOM   247  C C     . SER A 1 40 ? -32.438 6.783   -10.116 1.00 37.48  ? 38  SER A C     1 
ATOM   248  O O     . SER A 1 40 ? -32.300 7.964   -10.453 1.00 38.09  ? 38  SER A O     1 
ATOM   249  C CB    . SER A 1 40 ? -30.479 5.200   -10.268 1.00 36.82  ? 38  SER A CB    1 
ATOM   250  O OG    . SER A 1 40 ? -31.261 4.188   -10.886 1.00 51.94  ? 38  SER A OG    1 
ATOM   251  N N     . THR A 1 41 ? -33.544 6.092   -10.373 1.00 37.07  ? 39  THR A N     1 
ATOM   252  C CA    . THR A 1 41 ? -34.677 6.712   -11.059 1.00 40.89  ? 39  THR A CA    1 
ATOM   253  C C     . THR A 1 41 ? -35.225 7.917   -10.281 1.00 41.71  ? 39  THR A C     1 
ATOM   254  O O     . THR A 1 41 ? -35.397 9.016   -10.830 1.00 36.97  ? 39  THR A O     1 
ATOM   255  C CB    . THR A 1 41 ? -35.812 5.696   -11.274 1.00 40.69  ? 39  THR A CB    1 
ATOM   256  O OG1   . THR A 1 41 ? -35.341 4.623   -12.098 1.00 45.21  ? 39  THR A OG1   1 
ATOM   257  C CG2   . THR A 1 41 ? -37.009 6.362   -11.945 1.00 41.81  ? 39  THR A CG2   1 
ATOM   258  N N     . VAL A 1 42 ? -35.493 7.716   -8.999  1.00 41.71  ? 40  VAL A N     1 
ATOM   259  C CA    . VAL A 1 42 ? -36.011 8.797   -8.176  1.00 35.71  ? 40  VAL A CA    1 
ATOM   260  C C     . VAL A 1 42 ? -35.022 9.959   -8.094  1.00 40.59  ? 40  VAL A C     1 
ATOM   261  O O     . VAL A 1 42 ? -35.405 11.123  -8.233  1.00 33.61  ? 40  VAL A O     1 
ATOM   262  C CB    . VAL A 1 42 ? -36.392 8.303   -6.775  1.00 40.56  ? 40  VAL A CB    1 
ATOM   263  C CG1   . VAL A 1 42 ? -36.844 9.469   -5.907  1.00 37.49  ? 40  VAL A CG1   1 
ATOM   264  C CG2   . VAL A 1 42 ? -37.509 7.267   -6.884  1.00 40.11  ? 40  VAL A CG2   1 
ATOM   265  N N     . ASN A 1 43 ? -33.748 9.647   -7.878  1.00 33.08  ? 41  ASN A N     1 
ATOM   266  C CA    . ASN A 1 43 ? -32.737 10.694  -7.843  1.00 33.79  ? 41  ASN A CA    1 
ATOM   267  C C     . ASN A 1 43 ? -32.605 11.454  -9.161  1.00 34.83  ? 41  ASN A C     1 
ATOM   268  O O     . ASN A 1 43 ? -32.437 12.672  -9.155  1.00 35.89  ? 41  ASN A O     1 
ATOM   269  C CB    . ASN A 1 43 ? -31.376 10.151  -7.389  1.00 31.70  ? 41  ASN A CB    1 
ATOM   270  C CG    . ASN A 1 43 ? -31.120 10.407  -5.914  1.00 32.62  ? 41  ASN A CG    1 
ATOM   271  O OD1   . ASN A 1 43 ? -31.711 11.307  -5.324  1.00 35.18  ? 41  ASN A OD1   1 
ATOM   272  N ND2   . ASN A 1 43 ? -30.232 9.624   -5.316  1.00 33.21  ? 41  ASN A ND2   1 
ATOM   273  N N     . ARG A 1 44 ? -32.680 10.750  -10.287 1.00 34.53  ? 42  ARG A N     1 
ATOM   274  C CA    . ARG A 1 44 ? -32.573 11.441  -11.565 1.00 36.36  ? 42  ARG A CA    1 
ATOM   275  C C     . ARG A 1 44 ? -33.692 12.483  -11.681 1.00 33.90  ? 42  ARG A C     1 
ATOM   276  O O     . ARG A 1 44 ? -33.468 13.614  -12.113 1.00 36.31  ? 42  ARG A O     1 
ATOM   277  C CB    . ARG A 1 44 ? -32.631 10.471  -12.744 1.00 39.92  ? 42  ARG A CB    1 
ATOM   278  C CG    . ARG A 1 44 ? -32.653 11.188  -14.095 1.00 42.89  ? 42  ARG A CG    1 
ATOM   279  C CD    . ARG A 1 44 ? -32.633 10.227  -15.264 1.00 44.71  ? 42  ARG A CD    1 
ATOM   280  N NE    . ARG A 1 44 ? -33.804 9.366   -15.291 1.00 40.46  ? 42  ARG A NE    1 
ATOM   281  C CZ    . ARG A 1 44 ? -33.817 8.090   -14.915 1.00 48.28  ? 42  ARG A CZ    1 
ATOM   282  N NH1   . ARG A 1 44 ? -32.707 7.512   -14.471 1.00 46.35  ? 42  ARG A NH1   1 
ATOM   283  N NH2   . ARG A 1 44 ? -34.949 7.393   -14.980 1.00 47.24  ? 42  ARG A NH2   1 
ATOM   284  N N     . HIS A 1 45 ? -34.894 12.109  -11.266 1.00 33.86  ? 43  HIS A N     1 
ATOM   285  C CA    . HIS A 1 45 ? -36.021 13.034  -11.353 1.00 36.24  ? 43  HIS A CA    1 
ATOM   286  C C     . HIS A 1 45 ? -35.970 14.159  -10.318 1.00 40.81  ? 43  HIS A C     1 
ATOM   287  O O     . HIS A 1 45 ? -36.361 15.290  -10.605 1.00 39.15  ? 43  HIS A O     1 
ATOM   288  C CB    . HIS A 1 45 ? -37.348 12.279  -11.291 1.00 38.70  ? 43  HIS A CB    1 
ATOM   289  C CG    . HIS A 1 45 ? -37.647 11.505  -12.534 1.00 44.34  ? 43  HIS A CG    1 
ATOM   290  N ND1   . HIS A 1 45 ? -37.970 12.116  -13.726 1.00 49.61  ? 43  HIS A ND1   1 
ATOM   291  C CD2   . HIS A 1 45 ? -37.637 10.175  -12.783 1.00 48.24  ? 43  HIS A CD2   1 
ATOM   292  C CE1   . HIS A 1 45 ? -38.167 11.193  -14.652 1.00 52.84  ? 43  HIS A CE1   1 
ATOM   293  N NE2   . HIS A 1 45 ? -37.969 10.007  -14.105 1.00 50.11  ? 43  HIS A NE2   1 
ATOM   294  N N     . LEU A 1 46 ? -35.489 13.858  -9.117  1.00 36.65  ? 44  LEU A N     1 
ATOM   295  C CA    . LEU A 1 46 ? -35.382 14.887  -8.091  1.00 34.10  ? 44  LEU A CA    1 
ATOM   296  C C     . LEU A 1 46 ? -34.415 15.985  -8.545  1.00 34.33  ? 44  LEU A C     1 
ATOM   297  O O     . LEU A 1 46 ? -34.684 17.177  -8.389  1.00 36.47  ? 44  LEU A O     1 
ATOM   298  C CB    . LEU A 1 46 ? -34.897 14.282  -6.774  1.00 33.79  ? 44  LEU A CB    1 
ATOM   299  C CG    . LEU A 1 46 ? -35.894 13.455  -5.962  1.00 39.20  ? 44  LEU A CG    1 
ATOM   300  C CD1   . LEU A 1 46 ? -35.182 12.716  -4.826  1.00 33.60  ? 44  LEU A CD1   1 
ATOM   301  C CD2   . LEU A 1 46 ? -37.002 14.346  -5.421  1.00 40.80  ? 44  LEU A CD2   1 
ATOM   302  N N     . TYR A 1 47 ? -33.285 15.583  -9.106  1.00 31.53  ? 45  TYR A N     1 
ATOM   303  C CA    . TYR A 1 47 ? -32.299 16.572  -9.545  1.00 35.48  ? 45  TYR A CA    1 
ATOM   304  C C     . TYR A 1 47 ? -32.806 17.393  -10.729 1.00 41.49  ? 45  TYR A C     1 
ATOM   305  O O     . TYR A 1 47 ? -32.444 18.555  -10.881 1.00 43.39  ? 45  TYR A O     1 
ATOM   306  C CB    . TYR A 1 47 ? -30.937 15.925  -9.830  1.00 36.20  ? 45  TYR A CB    1 
ATOM   307  C CG    . TYR A 1 47 ? -30.152 15.701  -8.556  1.00 31.47  ? 45  TYR A CG    1 
ATOM   308  C CD1   . TYR A 1 47 ? -30.264 14.513  -7.847  1.00 35.15  ? 45  TYR A CD1   1 
ATOM   309  C CD2   . TYR A 1 47 ? -29.346 16.702  -8.032  1.00 33.52  ? 45  TYR A CD2   1 
ATOM   310  C CE1   . TYR A 1 47 ? -29.565 14.315  -6.659  1.00 29.66  ? 45  TYR A CE1   1 
ATOM   311  C CE2   . TYR A 1 47 ? -28.637 16.511  -6.848  1.00 41.96  ? 45  TYR A CE2   1 
ATOM   312  C CZ    . TYR A 1 47 ? -28.758 15.316  -6.168  1.00 39.17  ? 45  TYR A CZ    1 
ATOM   313  O OH    . TYR A 1 47 ? -28.065 15.116  -4.997  1.00 32.78  ? 45  TYR A OH    1 
ATOM   314  N N     . SER A 1 48 ? -33.654 16.794  -11.557 1.00 39.67  ? 46  SER A N     1 
ATOM   315  C CA    . SER A 1 48 ? -34.259 17.532  -12.660 1.00 43.54  ? 46  SER A CA    1 
ATOM   316  C C     . SER A 1 48 ? -35.314 18.502  -12.146 1.00 43.69  ? 46  SER A C     1 
ATOM   317  O O     . SER A 1 48 ? -35.404 19.642  -12.601 1.00 44.43  ? 46  SER A O     1 
ATOM   318  C CB    . SER A 1 48 ? -34.882 16.585  -13.672 1.00 43.56  ? 46  SER A CB    1 
ATOM   319  O OG    . SER A 1 48 ? -35.578 17.328  -14.653 1.00 49.91  ? 46  SER A OG    1 
ATOM   320  N N     . LEU A 1 49 ? -36.112 18.042  -11.189 1.00 40.66  ? 47  LEU A N     1 
ATOM   321  C CA    . LEU A 1 49 ? -37.070 18.905  -10.517 1.00 43.03  ? 47  LEU A CA    1 
ATOM   322  C C     . LEU A 1 49 ? -36.366 20.022  -9.741  1.00 51.19  ? 47  LEU A C     1 
ATOM   323  O O     . LEU A 1 49 ? -36.896 21.127  -9.621  1.00 52.97  ? 47  LEU A O     1 
ATOM   324  C CB    . LEU A 1 49 ? -37.955 18.083  -9.586  1.00 42.88  ? 47  LEU A CB    1 
ATOM   325  C CG    . LEU A 1 49 ? -38.992 17.203  -10.285 1.00 43.64  ? 47  LEU A CG    1 
ATOM   326  C CD1   . LEU A 1 49 ? -39.533 16.161  -9.323  1.00 42.17  ? 47  LEU A CD1   1 
ATOM   327  C CD2   . LEU A 1 49 ? -40.129 18.067  -10.841 1.00 43.56  ? 47  LEU A CD2   1 
ATOM   328  N N     . GLN A 1 50 ? -35.178 19.736  -9.215  1.00 43.24  ? 48  GLN A N     1 
ATOM   329  C CA    . GLN A 1 50 ? -34.390 20.763  -8.538  1.00 44.98  ? 48  GLN A CA    1 
ATOM   330  C C     . GLN A 1 50 ? -34.032 21.850  -9.536  1.00 48.62  ? 48  GLN A C     1 
ATOM   331  O O     . GLN A 1 50 ? -34.209 23.032  -9.263  1.00 49.95  ? 48  GLN A O     1 
ATOM   332  C CB    . GLN A 1 50 ? -33.109 20.185  -7.917  1.00 40.69  ? 48  GLN A CB    1 
ATOM   333  C CG    . GLN A 1 50 ? -32.321 21.203  -7.065  1.00 43.71  ? 48  GLN A CG    1 
ATOM   334  C CD    . GLN A 1 50 ? -30.979 20.663  -6.572  1.00 40.52  ? 48  GLN A CD    1 
ATOM   335  O OE1   . GLN A 1 50 ? -30.648 20.774  -5.391  1.00 44.10  ? 48  GLN A OE1   1 
ATOM   336  N NE2   . GLN A 1 50 ? -30.203 20.085  -7.479  1.00 38.92  ? 48  GLN A NE2   1 
ATOM   337  N N     . ALA A 1 51 ? -33.538 21.436  -10.700 1.00 48.36  ? 49  ALA A N     1 
ATOM   338  C CA    . ALA A 1 51 ? -33.209 22.366  -11.771 1.00 52.04  ? 49  ALA A CA    1 
ATOM   339  C C     . ALA A 1 51 ? -34.431 23.181  -12.211 1.00 57.33  ? 49  ALA A C     1 
ATOM   340  O O     . ALA A 1 51 ? -34.298 24.334  -12.619 1.00 60.25  ? 49  ALA A O     1 
ATOM   341  C CB    . ALA A 1 51 ? -32.609 21.619  -12.950 1.00 52.43  ? 49  ALA A CB    1 
ATOM   342  N N     . SER A 1 52 ? -35.614 22.580  -12.113 1.00 55.64  ? 50  SER A N     1 
ATOM   343  C CA    . SER A 1 52 ? -36.863 23.248  -12.496 1.00 60.07  ? 50  SER A CA    1 
ATOM   344  C C     . SER A 1 52 ? -37.375 24.200  -11.422 1.00 63.64  ? 50  SER A C     1 
ATOM   345  O O     . SER A 1 52 ? -38.397 24.864  -11.611 1.00 66.42  ? 50  SER A O     1 
ATOM   346  C CB    . SER A 1 52 ? -37.950 22.215  -12.785 1.00 57.86  ? 50  SER A CB    1 
ATOM   347  O OG    . SER A 1 52 ? -37.579 21.373  -13.858 1.00 67.40  ? 50  SER A OG    1 
ATOM   348  N N     . LYS A 1 53 ? -36.663 24.257  -10.299 1.00 60.08  ? 51  LYS A N     1 
ATOM   349  C CA    . LYS A 1 53 ? -37.093 25.017  -9.127  1.00 58.90  ? 51  LYS A CA    1 
ATOM   350  C C     . LYS A 1 53 ? -38.415 24.496  -8.577  1.00 56.70  ? 51  LYS A C     1 
ATOM   351  O O     . LYS A 1 53 ? -39.209 25.259  -8.033  1.00 55.04  ? 51  LYS A O     1 
ATOM   352  C CB    . LYS A 1 53 ? -37.199 26.522  -9.422  1.00 65.22  ? 51  LYS A CB    1 
ATOM   353  C CG    . LYS A 1 53 ? -35.873 27.217  -9.710  1.00 68.20  ? 51  LYS A CG    1 
ATOM   354  C CD    . LYS A 1 53 ? -35.498 27.130  -11.182 1.00 69.09  ? 51  LYS A CD    1 
ATOM   355  N N     . GLN A 1 54 ? -38.651 23.194  -8.714  1.00 52.43  ? 52  GLN A N     1 
ATOM   356  C CA    . GLN A 1 54 ? -39.885 22.602  -8.202  1.00 56.60  ? 52  GLN A CA    1 
ATOM   357  C C     . GLN A 1 54 ? -39.692 21.982  -6.820  1.00 50.74  ? 52  GLN A C     1 
ATOM   358  O O     . GLN A 1 54 ? -40.614 21.939  -6.005  1.00 48.90  ? 52  GLN A O     1 
ATOM   359  C CB    . GLN A 1 54 ? -40.441 21.564  -9.179  1.00 57.54  ? 52  GLN A CB    1 
ATOM   360  C CG    . GLN A 1 54 ? -40.926 22.148  -10.494 1.00 70.15  ? 52  GLN A CG    1 
ATOM   361  C CD    . GLN A 1 54 ? -41.673 21.129  -11.338 1.00 75.67  ? 52  GLN A CD    1 
ATOM   362  O OE1   . GLN A 1 54 ? -41.243 20.784  -12.440 1.00 84.05  ? 52  GLN A OE1   1 
ATOM   363  N NE2   . GLN A 1 54 ? -42.792 20.638  -10.821 1.00 68.26  ? 52  GLN A NE2   1 
ATOM   364  N N     . VAL A 1 55 ? -38.487 21.488  -6.569  1.00 50.36  ? 53  VAL A N     1 
ATOM   365  C CA    . VAL A 1 55 ? -38.158 20.900  -5.281  1.00 49.82  ? 53  VAL A CA    1 
ATOM   366  C C     . VAL A 1 55 ? -36.804 21.418  -4.852  1.00 49.23  ? 53  VAL A C     1 
ATOM   367  O O     . VAL A 1 55 ? -36.067 21.986  -5.657  1.00 46.86  ? 53  VAL A O     1 
ATOM   368  C CB    . VAL A 1 55 ? -38.066 19.361  -5.359  1.00 43.92  ? 53  VAL A CB    1 
ATOM   369  C CG1   . VAL A 1 55 ? -39.371 18.762  -5.900  1.00 48.60  ? 53  VAL A CG1   1 
ATOM   370  C CG2   . VAL A 1 55 ? -36.894 18.954  -6.216  1.00 48.33  ? 53  VAL A CG2   1 
ATOM   371  N N     . PHE A 1 56 ? -36.473 21.225  -3.582  1.00 48.55  ? 54  PHE A N     1 
ATOM   372  C CA    . PHE A 1 56 ? -35.144 21.565  -3.103  1.00 53.01  ? 54  PHE A CA    1 
ATOM   373  C C     . PHE A 1 56 ? -34.680 20.559  -2.056  1.00 49.36  ? 54  PHE A C     1 
ATOM   374  O O     . PHE A 1 56 ? -35.490 19.830  -1.459  1.00 45.24  ? 54  PHE A O     1 
ATOM   375  C CB    . PHE A 1 56 ? -35.102 22.999  -2.555  1.00 53.78  ? 54  PHE A CB    1 
ATOM   376  C CG    . PHE A 1 56 ? -35.775 23.161  -1.224  1.00 47.01  ? 54  PHE A CG    1 
ATOM   377  C CD1   . PHE A 1 56 ? -37.157 23.173  -1.124  1.00 48.89  ? 54  PHE A CD1   1 
ATOM   378  C CD2   . PHE A 1 56 ? -35.024 23.300  -0.067  1.00 48.06  ? 54  PHE A CD2   1 
ATOM   379  C CE1   . PHE A 1 56 ? -37.772 23.315  0.101   1.00 55.04  ? 54  PHE A CE1   1 
ATOM   380  C CE2   . PHE A 1 56 ? -35.637 23.447  1.167   1.00 50.95  ? 54  PHE A CE2   1 
ATOM   381  C CZ    . PHE A 1 56 ? -37.014 23.456  1.249   1.00 54.13  ? 54  PHE A CZ    1 
ATOM   382  N N     . LYS A 1 57 ? -33.370 20.525  -1.846  1.00 42.22  ? 55  LYS A N     1 
ATOM   383  C CA    . LYS A 1 57 ? -32.778 19.610  -0.889  1.00 44.85  ? 55  LYS A CA    1 
ATOM   384  C C     . LYS A 1 57 ? -32.096 20.360  0.247   1.00 46.94  ? 55  LYS A C     1 
ATOM   385  O O     . LYS A 1 57 ? -31.630 21.485  0.072   1.00 45.60  ? 55  LYS A O     1 
ATOM   386  C CB    . LYS A 1 57 ? -31.785 18.671  -1.584  1.00 38.17  ? 55  LYS A CB    1 
ATOM   387  C CG    . LYS A 1 57 ? -30.520 19.347  -2.090  1.00 43.98  ? 55  LYS A CG    1 
ATOM   388  C CD    . LYS A 1 57 ? -29.591 18.321  -2.716  1.00 45.24  ? 55  LYS A CD    1 
ATOM   389  C CE    . LYS A 1 57 ? -28.352 18.973  -3.284  1.00 49.41  ? 55  LYS A CE    1 
ATOM   390  N NZ    . LYS A 1 57 ? -27.358 17.941  -3.701  1.00 52.72  ? 55  LYS A NZ    1 
ATOM   391  N N     . THR A 1 58 ? -32.080 19.738  1.421   1.00 45.40  ? 56  THR A N     1 
ATOM   392  C CA    . THR A 1 58 ? -31.279 20.215  2.542   1.00 44.86  ? 56  THR A CA    1 
ATOM   393  C C     . THR A 1 58 ? -30.262 19.117  2.835   1.00 50.64  ? 56  THR A C     1 
ATOM   394  O O     . THR A 1 58 ? -30.556 17.936  2.670   1.00 43.22  ? 56  THR A O     1 
ATOM   395  C CB    . THR A 1 58 ? -32.123 20.494  3.799   1.00 48.28  ? 56  THR A CB    1 
ATOM   396  O OG1   . THR A 1 58 ? -32.776 19.291  4.225   1.00 57.34  ? 56  THR A OG1   1 
ATOM   397  C CG2   . THR A 1 58 ? -33.169 21.554  3.515   1.00 51.57  ? 56  THR A CG2   1 
ATOM   398  N N     . VAL A 1 59 ? -29.062 19.499  3.249   1.00 56.75  ? 57  VAL A N     1 
ATOM   399  C CA    . VAL A 1 59 ? -28.023 18.516  3.514   1.00 49.75  ? 57  VAL A CA    1 
ATOM   400  C C     . VAL A 1 59 ? -27.417 18.747  4.887   1.00 53.75  ? 57  VAL A C     1 
ATOM   401  O O     . VAL A 1 59 ? -27.345 19.879  5.347   1.00 51.42  ? 57  VAL A O     1 
ATOM   402  C CB    . VAL A 1 59 ? -26.916 18.561  2.441   1.00 54.76  ? 57  VAL A CB    1 
ATOM   403  C CG1   . VAL A 1 59 ? -27.417 17.969  1.128   1.00 53.55  ? 57  VAL A CG1   1 
ATOM   404  C CG2   . VAL A 1 59 ? -26.427 19.990  2.241   1.00 62.87  ? 57  VAL A CG2   1 
ATOM   405  N N     . LYS A 1 63 ? -23.872 13.221  3.307   1.00 72.84  ? 61  LYS A N     1 
ATOM   406  C CA    . LYS A 1 63 ? -25.009 14.139  3.246   1.00 76.18  ? 61  LYS A CA    1 
ATOM   407  C C     . LYS A 1 63 ? -26.306 13.531  3.773   1.00 75.95  ? 61  LYS A C     1 
ATOM   408  O O     . LYS A 1 63 ? -26.817 13.931  4.822   1.00 84.86  ? 61  LYS A O     1 
ATOM   409  C CB    . LYS A 1 63 ? -25.256 14.607  1.807   1.00 67.94  ? 61  LYS A CB    1 
ATOM   410  C CG    . LYS A 1 63 ? -24.101 15.349  1.154   1.00 67.04  ? 61  LYS A CG    1 
ATOM   411  C CD    . LYS A 1 63 ? -24.449 15.716  -0.284  1.00 50.55  ? 61  LYS A CD    1 
ATOM   412  N N     . ARG A 1 64 ? -26.813 12.547  3.037   1.00 70.83  ? 62  ARG A N     1 
ATOM   413  C CA    . ARG A 1 64 ? -28.221 12.160  3.094   1.00 60.93  ? 62  ARG A CA    1 
ATOM   414  C C     . ARG A 1 64 ? -29.063 13.415  2.896   1.00 46.41  ? 62  ARG A C     1 
ATOM   415  O O     . ARG A 1 64 ? -29.516 14.034  3.855   1.00 47.77  ? 62  ARG A O     1 
ATOM   416  C CB    . ARG A 1 64 ? -28.579 11.440  4.399   1.00 69.49  ? 62  ARG A CB    1 
ATOM   417  C CG    . ARG A 1 64 ? -30.029 10.935  4.462   1.00 69.08  ? 62  ARG A CG    1 
ATOM   418  C CD    . ARG A 1 64 ? -30.358 9.958   3.333   1.00 61.18  ? 62  ARG A CD    1 
ATOM   419  N NE    . ARG A 1 64 ? -29.495 8.776   3.353   1.00 65.97  ? 62  ARG A NE    1 
ATOM   420  C CZ    . ARG A 1 64 ? -29.863 7.579   3.802   1.00 63.91  ? 62  ARG A CZ    1 
ATOM   421  N NH1   . ARG A 1 64 ? -31.087 7.389   4.272   1.00 65.22  ? 62  ARG A NH1   1 
ATOM   422  N NH2   . ARG A 1 64 ? -29.006 6.568   3.775   1.00 61.60  ? 62  ARG A NH2   1 
ATOM   423  N N     . PRO A 1 65 ? -29.224 13.825  1.637   1.00 45.72  ? 63  PRO A N     1 
ATOM   424  C CA    . PRO A 1 65 ? -30.087 14.966  1.320   1.00 43.82  ? 63  PRO A CA    1 
ATOM   425  C C     . PRO A 1 65 ? -31.538 14.678  1.678   1.00 45.34  ? 63  PRO A C     1 
ATOM   426  O O     . PRO A 1 65 ? -31.987 13.535  1.600   1.00 44.22  ? 63  PRO A O     1 
ATOM   427  C CB    . PRO A 1 65 ? -29.923 15.127  -0.198  1.00 43.14  ? 63  PRO A CB    1 
ATOM   428  C CG    . PRO A 1 65 ? -29.317 13.863  -0.668  1.00 45.61  ? 63  PRO A CG    1 
ATOM   429  C CD    . PRO A 1 65 ? -28.513 13.316  0.452   1.00 41.81  ? 63  PRO A CD    1 
ATOM   430  N N     . VAL A 1 66 ? -32.257 15.714  2.093   1.00 44.63  ? 64  VAL A N     1 
ATOM   431  C CA    . VAL A 1 66 ? -33.675 15.592  2.386   1.00 43.22  ? 64  VAL A CA    1 
ATOM   432  C C     . VAL A 1 66 ? -34.400 16.524  1.432   1.00 47.92  ? 64  VAL A C     1 
ATOM   433  O O     . VAL A 1 66 ? -33.994 17.673  1.262   1.00 45.08  ? 64  VAL A O     1 
ATOM   434  C CB    . VAL A 1 66 ? -33.991 15.972  3.844   1.00 49.87  ? 64  VAL A CB    1 
ATOM   435  C CG1   . VAL A 1 66 ? -35.492 15.841  4.117   1.00 51.21  ? 64  VAL A CG1   1 
ATOM   436  C CG2   . VAL A 1 66 ? -33.188 15.108  4.808   1.00 47.05  ? 64  VAL A CG2   1 
ATOM   437  N N     . TRP A 1 67 ? -35.459 16.028  0.800   1.00 40.70  ? 65  TRP A N     1 
ATOM   438  C CA    . TRP A 1 67 ? -36.112 16.766  -0.271  1.00 48.06  ? 65  TRP A CA    1 
ATOM   439  C C     . TRP A 1 67 ? -37.488 17.245  0.142   1.00 47.22  ? 65  TRP A C     1 
ATOM   440  O O     . TRP A 1 67 ? -38.116 16.659  1.021   1.00 46.87  ? 65  TRP A O     1 
ATOM   441  C CB    . TRP A 1 67 ? -36.235 15.900  -1.532  1.00 44.57  ? 65  TRP A CB    1 
ATOM   442  C CG    . TRP A 1 67 ? -34.927 15.463  -2.092  1.00 42.48  ? 65  TRP A CG    1 
ATOM   443  C CD1   . TRP A 1 67 ? -34.223 14.353  -1.750  1.00 40.68  ? 65  TRP A CD1   1 
ATOM   444  C CD2   . TRP A 1 67 ? -34.159 16.134  -3.100  1.00 37.45  ? 65  TRP A CD2   1 
ATOM   445  N NE1   . TRP A 1 67 ? -33.063 14.283  -2.485  1.00 35.18  ? 65  TRP A NE1   1 
ATOM   446  C CE2   . TRP A 1 67 ? -33.001 15.371  -3.316  1.00 36.56  ? 65  TRP A CE2   1 
ATOM   447  C CE3   . TRP A 1 67 ? -34.343 17.313  -3.834  1.00 38.56  ? 65  TRP A CE3   1 
ATOM   448  C CZ2   . TRP A 1 67 ? -32.025 15.742  -4.243  1.00 38.42  ? 65  TRP A CZ2   1 
ATOM   449  C CZ3   . TRP A 1 67 ? -33.376 17.679  -4.755  1.00 33.50  ? 65  TRP A CZ3   1 
ATOM   450  C CH2   . TRP A 1 67 ? -32.232 16.895  -4.950  1.00 34.03  ? 65  TRP A CH2   1 
ATOM   451  N N     . ASN A 1 68 ? -37.944 18.314  -0.505  1.00 43.67  ? 66  ASN A N     1 
ATOM   452  C CA    . ASN A 1 68 ? -39.282 18.851  -0.284  1.00 46.93  ? 66  ASN A CA    1 
ATOM   453  C C     . ASN A 1 68 ? -39.672 19.754  -1.453  1.00 47.08  ? 66  ASN A C     1 
ATOM   454  O O     . ASN A 1 68 ? -38.803 20.145  -2.238  1.00 46.18  ? 66  ASN A O     1 
ATOM   455  C CB    . ASN A 1 68 ? -39.342 19.628  1.031   1.00 50.10  ? 66  ASN A CB    1 
ATOM   456  C CG    . ASN A 1 68 ? -40.764 19.747  1.576   1.00 59.16  ? 66  ASN A CG    1 
ATOM   457  O OD1   . ASN A 1 68 ? -41.725 19.337  0.924   1.00 55.96  ? 66  ASN A OD1   1 
ATOM   458  N ND2   . ASN A 1 68 ? -40.899 20.310  2.774   1.00 60.47  ? 66  ASN A ND2   1 
ATOM   459  N N     . LEU A 1 69 ? -40.964 20.075  -1.568  1.00 50.08  ? 67  LEU A N     1 
ATOM   460  C CA    . LEU A 1 69 ? -41.486 20.912  -2.656  1.00 52.05  ? 67  LEU A CA    1 
ATOM   461  C C     . LEU A 1 69 ? -41.096 22.389  -2.565  1.00 56.45  ? 67  LEU A C     1 
ATOM   462  O O     . LEU A 1 69 ? -40.857 22.906  -1.481  1.00 56.13  ? 67  LEU A O     1 
ATOM   463  C CB    . LEU A 1 69 ? -43.028 20.831  -2.721  1.00 54.89  ? 67  LEU A CB    1 
ATOM   464  C CG    . LEU A 1 69 ? -43.650 19.601  -3.389  1.00 54.33  ? 67  LEU A CG    1 
ATOM   465  C CD1   . LEU A 1 69 ? -45.169 19.641  -3.339  1.00 62.39  ? 67  LEU A CD1   1 
ATOM   466  C CD2   . LEU A 1 69 ? -43.173 19.484  -4.822  1.00 59.97  ? 67  LEU A CD2   1 
ATOM   467  N N     . VAL A 1 70 ? -41.080 23.047  -3.725  1.00 65.78  ? 68  VAL A N     1 
ATOM   468  C CA    . VAL A 1 70 ? -40.883 24.498  -3.880  1.00 70.16  ? 68  VAL A CA    1 
ATOM   469  C C     . VAL A 1 70 ? -39.594 25.026  -3.275  1.00 78.14  ? 68  VAL A C     1 
ATOM   470  O O     . VAL A 1 70 ? -38.629 25.274  -3.998  1.00 86.53  ? 68  VAL A O     1 
ATOM   471  C CB    . VAL A 1 70 ? -42.098 25.350  -3.388  1.00 70.55  ? 68  VAL A CB    1 
ATOM   472  C CG1   . VAL A 1 70 ? -43.409 24.632  -3.656  1.00 76.54  ? 68  VAL A CG1   1 
ATOM   473  C CG2   . VAL A 1 70 ? -41.960 25.718  -1.918  1.00 69.49  ? 68  VAL A CG2   1 
ATOM   474  N N     . GLU B 1 9  ? -5.363  -0.565  -28.334 1.00 60.93  ? 7   GLU B N     1 
ATOM   475  C CA    . GLU B 1 9  ? -4.621  -1.808  -28.512 1.00 65.73  ? 7   GLU B CA    1 
ATOM   476  C C     . GLU B 1 9  ? -5.522  -2.981  -28.903 1.00 63.00  ? 7   GLU B C     1 
ATOM   477  O O     . GLU B 1 9  ? -6.645  -3.121  -28.403 1.00 58.59  ? 7   GLU B O     1 
ATOM   478  C CB    . GLU B 1 9  ? -3.826  -2.155  -27.248 1.00 64.65  ? 7   GLU B CB    1 
ATOM   479  C CG    . GLU B 1 9  ? -2.328  -2.295  -27.488 1.00 78.31  ? 7   GLU B CG    1 
ATOM   480  C CD    . GLU B 1 9  ? -2.001  -3.300  -28.580 1.00 87.34  ? 7   GLU B CD    1 
ATOM   481  O OE1   . GLU B 1 9  ? -2.056  -4.517  -28.305 1.00 86.64  ? 7   GLU B OE1   1 
ATOM   482  O OE2   . GLU B 1 9  ? -1.691  -2.877  -29.715 1.00 92.55  ? 7   GLU B OE2   1 
ATOM   483  N N     . ASN B 1 10 ? -5.017  -3.820  -29.801 1.00 67.38  ? 8   ASN B N     1 
ATOM   484  C CA    . ASN B 1 10 ? -5.693  -5.057  -30.166 1.00 66.10  ? 8   ASN B CA    1 
ATOM   485  C C     . ASN B 1 10 ? -5.813  -5.984  -28.969 1.00 54.19  ? 8   ASN B C     1 
ATOM   486  O O     . ASN B 1 10 ? -6.794  -6.712  -28.835 1.00 54.46  ? 8   ASN B O     1 
ATOM   487  C CB    . ASN B 1 10 ? -4.955  -5.776  -31.297 1.00 75.03  ? 8   ASN B CB    1 
ATOM   488  C CG    . ASN B 1 10 ? -5.044  -5.036  -32.612 1.00 77.86  ? 8   ASN B CG    1 
ATOM   489  O OD1   . ASN B 1 10 ? -5.085  -3.807  -32.644 1.00 77.48  ? 8   ASN B OD1   1 
ATOM   490  N ND2   . ASN B 1 10 ? -5.082  -5.784  -33.710 1.00 79.60  ? 8   ASN B ND2   1 
ATOM   491  N N     . GLU B 1 11 ? -4.813  -5.947  -28.096 1.00 53.75  ? 9   GLU B N     1 
ATOM   492  C CA    . GLU B 1 11 ? -4.817  -6.806  -26.921 1.00 59.64  ? 9   GLU B CA    1 
ATOM   493  C C     . GLU B 1 11 ? -6.022  -6.508  -26.032 1.00 53.42  ? 9   GLU B C     1 
ATOM   494  O O     . GLU B 1 11 ? -6.706  -7.425  -25.574 1.00 50.13  ? 9   GLU B O     1 
ATOM   495  C CB    . GLU B 1 11 ? -3.520  -6.662  -26.130 1.00 66.42  ? 9   GLU B CB    1 
ATOM   496  C CG    . GLU B 1 11 ? -3.236  -7.845  -25.229 1.00 82.34  ? 9   GLU B CG    1 
ATOM   497  C CD    . GLU B 1 11 ? -2.886  -7.428  -23.819 1.00 97.91  ? 9   GLU B CD    1 
ATOM   498  O OE1   . GLU B 1 11 ? -3.083  -6.239  -23.483 1.00 101.81 ? 9   GLU B OE1   1 
ATOM   499  O OE2   . GLU B 1 11 ? -2.413  -8.292  -23.049 1.00 103.86 ? 9   GLU B OE2   1 
ATOM   500  N N     . ILE B 1 12 ? -6.292  -5.224  -25.803 1.00 48.51  ? 10  ILE B N     1 
ATOM   501  C CA    . ILE B 1 12 ? -7.464  -4.834  -25.032 1.00 43.51  ? 10  ILE B CA    1 
ATOM   502  C C     . ILE B 1 12 ? -8.740  -5.385  -25.659 1.00 45.97  ? 10  ILE B C     1 
ATOM   503  O O     . ILE B 1 12 ? -9.614  -5.913  -24.972 1.00 40.32  ? 10  ILE B O     1 
ATOM   504  C CB    . ILE B 1 12 ? -7.621  -3.298  -24.936 1.00 48.34  ? 10  ILE B CB    1 
ATOM   505  C CG1   . ILE B 1 12 ? -6.383  -2.649  -24.320 1.00 52.42  ? 10  ILE B CG1   1 
ATOM   506  C CG2   . ILE B 1 12 ? -8.854  -2.955  -24.121 1.00 45.43  ? 10  ILE B CG2   1 
ATOM   507  C CD1   . ILE B 1 12 ? -6.229  -2.900  -22.846 1.00 57.21  ? 10  ILE B CD1   1 
ATOM   508  N N     . GLU B 1 13 ? -8.859  -5.244  -26.970 1.00 41.05  ? 11  GLU B N     1 
ATOM   509  C CA    . GLU B 1 13 ? -10.060 -5.703  -27.647 1.00 39.48  ? 11  GLU B CA    1 
ATOM   510  C C     . GLU B 1 13 ? -10.205 -7.210  -27.560 1.00 41.57  ? 11  GLU B C     1 
ATOM   511  O O     . GLU B 1 13 ? -11.298 -7.729  -27.355 1.00 43.57  ? 11  GLU B O     1 
ATOM   512  C CB    . GLU B 1 13 ? -10.106 -5.202  -29.092 1.00 52.70  ? 11  GLU B CB    1 
ATOM   513  C CG    . GLU B 1 13 ? -10.704 -3.799  -29.176 1.00 50.85  ? 11  GLU B CG    1 
ATOM   514  C CD    . GLU B 1 13 ? -10.709 -3.233  -30.579 1.00 53.34  ? 11  GLU B CD    1 
ATOM   515  O OE1   . GLU B 1 13 ? -10.485 -4.009  -31.532 1.00 54.95  ? 11  GLU B OE1   1 
ATOM   516  O OE2   . GLU B 1 13 ? -10.932 -2.008  -30.724 1.00 54.53  ? 11  GLU B OE2   1 
ATOM   517  N N     . MET B 1 14 ? -9.080  -7.905  -27.681 1.00 45.14  ? 12  MET B N     1 
ATOM   518  C CA    . MET B 1 14 ? -9.060  -9.345  -27.514 1.00 48.67  ? 12  MET B CA    1 
ATOM   519  C C     . MET B 1 14 ? -9.606  -9.727  -26.144 1.00 56.31  ? 12  MET B C     1 
ATOM   520  O O     . MET B 1 14 ? -10.449 -10.618 -26.032 1.00 48.40  ? 12  MET B O     1 
ATOM   521  C CB    . MET B 1 14 ? -7.633  -9.860  -27.665 1.00 52.67  ? 12  MET B CB    1 
ATOM   522  C CG    . MET B 1 14 ? -7.502  -11.349 -27.576 1.00 56.60  ? 12  MET B CG    1 
ATOM   523  S SD    . MET B 1 14 ? -5.759  -11.760 -27.591 1.00 71.82  ? 12  MET B SD    1 
ATOM   524  C CE    . MET B 1 14 ? -5.247  -10.907 -29.087 1.00 69.02  ? 12  MET B CE    1 
ATOM   525  N N     . ARG B 1 15 ? -9.138  -9.038  -25.106 1.00 47.58  ? 13  ARG B N     1 
ATOM   526  C CA    . ARG B 1 15 ? -9.536  -9.377  -23.748 1.00 48.89  ? 13  ARG B CA    1 
ATOM   527  C C     . ARG B 1 15 ? -11.009 -9.062  -23.515 1.00 44.77  ? 13  ARG B C     1 
ATOM   528  O O     . ARG B 1 15 ? -11.701 -9.781  -22.798 1.00 45.98  ? 13  ARG B O     1 
ATOM   529  C CB    . ARG B 1 15 ? -8.662  -8.651  -22.724 1.00 49.02  ? 13  ARG B CB    1 
ATOM   530  C CG    . ARG B 1 15 ? -7.188  -9.007  -22.801 1.00 53.57  ? 13  ARG B CG    1 
ATOM   531  C CD    . ARG B 1 15 ? -6.364  -8.133  -21.872 1.00 60.04  ? 13  ARG B CD    1 
ATOM   532  N NE    . ARG B 1 15 ? -6.719  -8.327  -20.470 1.00 59.70  ? 13  ARG B NE    1 
ATOM   533  C CZ    . ARG B 1 15 ? -6.583  -7.398  -19.529 1.00 62.13  ? 13  ARG B CZ    1 
ATOM   534  N NH1   . ARG B 1 15 ? -6.102  -6.201  -19.837 1.00 52.61  ? 13  ARG B NH1   1 
ATOM   535  N NH2   . ARG B 1 15 ? -6.929  -7.667  -18.279 1.00 55.72  ? 13  ARG B NH2   1 
ATOM   536  N N     . ILE B 1 16 ? -11.488 -7.986  -24.126 1.00 41.53  ? 14  ILE B N     1 
ATOM   537  C CA    . ILE B 1 16 ? -12.894 -7.623  -23.987 1.00 38.82  ? 14  ILE B CA    1 
ATOM   538  C C     . ILE B 1 16 ? -13.782 -8.683  -24.630 1.00 44.83  ? 14  ILE B C     1 
ATOM   539  O O     . ILE B 1 16 ? -14.753 -9.145  -24.027 1.00 46.48  ? 14  ILE B O     1 
ATOM   540  C CB    . ILE B 1 16 ? -13.181 -6.251  -24.592 1.00 35.49  ? 14  ILE B CB    1 
ATOM   541  C CG1   . ILE B 1 16 ? -12.475 -5.176  -23.765 1.00 41.89  ? 14  ILE B CG1   1 
ATOM   542  C CG2   . ILE B 1 16 ? -14.682 -6.001  -24.645 1.00 35.98  ? 14  ILE B CG2   1 
ATOM   543  C CD1   . ILE B 1 16 ? -12.561 -3.781  -24.361 1.00 41.70  ? 14  ILE B CD1   1 
ATOM   544  N N     . CYS B 1 17 ? -13.426 -9.084  -25.846 1.00 43.61  ? 15  CYS B N     1 
ATOM   545  C CA    . CYS B 1 17 ? -14.181 -10.115 -26.541 1.00 46.95  ? 15  CYS B CA    1 
ATOM   546  C C     . CYS B 1 17 ? -14.098 -11.456 -25.812 1.00 45.64  ? 15  CYS B C     1 
ATOM   547  O O     . CYS B 1 17 ? -15.095 -12.159 -25.682 1.00 46.85  ? 15  CYS B O     1 
ATOM   548  C CB    . CYS B 1 17 ? -13.724 -10.228 -27.997 1.00 44.21  ? 15  CYS B CB    1 
ATOM   549  S SG    . CYS B 1 17 ? -14.141 -8.729  -28.936 1.00 51.31  ? 15  CYS B SG    1 
ATOM   550  N N     . ASP B 1 18 ? -12.915 -11.790 -25.306 1.00 48.00  ? 16  ASP B N     1 
ATOM   551  C CA    . ASP B 1 18 ? -12.748 -13.025 -24.545 1.00 52.28  ? 16  ASP B CA    1 
ATOM   552  C C     . ASP B 1 18 ? -13.625 -13.002 -23.289 1.00 52.31  ? 16  ASP B C     1 
ATOM   553  O O     . ASP B 1 18 ? -14.227 -14.013 -22.932 1.00 55.39  ? 16  ASP B O     1 
ATOM   554  C CB    . ASP B 1 18 ? -11.284 -13.231 -24.174 1.00 55.37  ? 16  ASP B CB    1 
ATOM   555  C CG    . ASP B 1 18 ? -11.069 -14.467 -23.331 1.00 68.03  ? 16  ASP B CG    1 
ATOM   556  O OD1   . ASP B 1 18 ? -10.870 -15.553 -23.915 1.00 75.30  ? 16  ASP B OD1   1 
ATOM   557  O OD2   . ASP B 1 18 ? -11.098 -14.352 -22.085 1.00 64.65  ? 16  ASP B OD2   1 
ATOM   558  N N     . TYR B 1 19 ? -13.710 -11.847 -22.627 1.00 49.38  ? 17  TYR B N     1 
ATOM   559  C CA    . TYR B 1 19 ? -14.610 -11.717 -21.482 1.00 49.48  ? 17  TYR B CA    1 
ATOM   560  C C     . TYR B 1 19 ? -16.056 -11.978 -21.894 1.00 53.96  ? 17  TYR B C     1 
ATOM   561  O O     . TYR B 1 19 ? -16.789 -12.685 -21.201 1.00 51.87  ? 17  TYR B O     1 
ATOM   562  C CB    . TYR B 1 19 ? -14.516 -10.334 -20.809 1.00 46.31  ? 17  TYR B CB    1 
ATOM   563  C CG    . TYR B 1 19 ? -15.420 -10.234 -19.593 1.00 51.63  ? 17  TYR B CG    1 
ATOM   564  C CD1   . TYR B 1 19 ? -16.770 -9.905  -19.721 1.00 46.65  ? 17  TYR B CD1   1 
ATOM   565  C CD2   . TYR B 1 19 ? -14.931 -10.498 -18.319 1.00 53.80  ? 17  TYR B CD2   1 
ATOM   566  C CE1   . TYR B 1 19 ? -17.598 -9.836  -18.621 1.00 46.91  ? 17  TYR B CE1   1 
ATOM   567  C CE2   . TYR B 1 19 ? -15.758 -10.428 -17.209 1.00 53.71  ? 17  TYR B CE2   1 
ATOM   568  C CZ    . TYR B 1 19 ? -17.088 -10.101 -17.368 1.00 51.09  ? 17  TYR B CZ    1 
ATOM   569  O OH    . TYR B 1 19 ? -17.909 -10.034 -16.267 1.00 56.65  ? 17  TYR B OH    1 
ATOM   570  N N     . LEU B 1 20 ? -16.465 -11.389 -23.011 1.00 46.02  ? 18  LEU B N     1 
ATOM   571  C CA    . LEU B 1 20 ? -17.835 -11.534 -23.488 1.00 45.97  ? 18  LEU B CA    1 
ATOM   572  C C     . LEU B 1 20 ? -18.115 -12.964 -23.929 1.00 49.77  ? 18  LEU B C     1 
ATOM   573  O O     . LEU B 1 20 ? -19.217 -13.478 -23.738 1.00 55.42  ? 18  LEU B O     1 
ATOM   574  C CB    . LEU B 1 20 ? -18.115 -10.559 -24.637 1.00 42.67  ? 18  LEU B CB    1 
ATOM   575  C CG    . LEU B 1 20 ? -18.118 -9.077  -24.241 1.00 39.36  ? 18  LEU B CG    1 
ATOM   576  C CD1   . LEU B 1 20 ? -18.310 -8.178  -25.465 1.00 37.49  ? 18  LEU B CD1   1 
ATOM   577  C CD2   . LEU B 1 20 ? -19.205 -8.788  -23.204 1.00 39.77  ? 18  LEU B CD2   1 
ATOM   578  N N     . ARG B 1 21 ? -17.107 -13.600 -24.517 1.00 51.14  ? 19  ARG B N     1 
ATOM   579  C CA    . ARG B 1 21 ? -17.233 -14.972 -24.986 1.00 55.10  ? 19  ARG B CA    1 
ATOM   580  C C     . ARG B 1 21 ? -17.451 -15.895 -23.792 1.00 59.46  ? 19  ARG B C     1 
ATOM   581  O O     . ARG B 1 21 ? -18.231 -16.837 -23.861 1.00 62.88  ? 19  ARG B O     1 
ATOM   582  C CB    . ARG B 1 21 ? -15.988 -15.375 -25.779 1.00 56.09  ? 19  ARG B CB    1 
ATOM   583  C CG    . ARG B 1 21 ? -16.173 -16.593 -26.672 1.00 59.50  ? 19  ARG B CG    1 
ATOM   584  C CD    . ARG B 1 21 ? -15.025 -16.738 -27.654 1.00 59.99  ? 19  ARG B CD    1 
ATOM   585  N NE    . ARG B 1 21 ? -15.056 -15.735 -28.720 1.00 68.50  ? 19  ARG B NE    1 
ATOM   586  C CZ    . ARG B 1 21 ? -14.144 -14.780 -28.885 1.00 68.68  ? 19  ARG B CZ    1 
ATOM   587  N NH1   . ARG B 1 21 ? -13.115 -14.683 -28.050 1.00 68.46  ? 19  ARG B NH1   1 
ATOM   588  N NH2   . ARG B 1 21 ? -14.257 -13.917 -29.887 1.00 64.97  ? 19  ARG B NH2   1 
ATOM   589  N N     . ARG B 1 22 ? -16.783 -15.583 -22.685 1.00 61.27  ? 20  ARG B N     1 
ATOM   590  C CA    . ARG B 1 22 ? -16.868 -16.388 -21.467 1.00 69.33  ? 20  ARG B CA    1 
ATOM   591  C C     . ARG B 1 22 ? -18.132 -16.111 -20.651 1.00 69.17  ? 20  ARG B C     1 
ATOM   592  O O     . ARG B 1 22 ? -18.695 -17.023 -20.049 1.00 73.82  ? 20  ARG B O     1 
ATOM   593  C CB    . ARG B 1 22 ? -15.634 -16.154 -20.584 1.00 71.63  ? 20  ARG B CB    1 
ATOM   594  C CG    . ARG B 1 22 ? -14.381 -16.908 -21.011 1.00 72.93  ? 20  ARG B CG    1 
ATOM   595  C CD    . ARG B 1 22 ? -13.117 -16.338 -20.351 1.00 84.46  ? 20  ARG B CD    1 
ATOM   596  N NE    . ARG B 1 22 ? -13.278 -16.069 -18.920 1.00 97.70  ? 20  ARG B NE    1 
ATOM   597  C CZ    . ARG B 1 22 ? -13.066 -14.884 -18.344 1.00 100.38 ? 20  ARG B CZ    1 
ATOM   598  N NH1   . ARG B 1 22 ? -12.678 -13.841 -19.070 1.00 91.67  ? 20  ARG B NH1   1 
ATOM   599  N NH2   . ARG B 1 22 ? -13.237 -14.740 -17.034 1.00 104.69 ? 20  ARG B NH2   1 
ATOM   600  N N     . HIS B 1 23 ? -18.576 -14.856 -20.630 1.00 62.28  ? 21  HIS B N     1 
ATOM   601  C CA    . HIS B 1 23 ? -19.642 -14.442 -19.716 1.00 60.77  ? 21  HIS B CA    1 
ATOM   602  C C     . HIS B 1 23 ? -20.975 -14.074 -20.366 1.00 61.64  ? 21  HIS B C     1 
ATOM   603  O O     . HIS B 1 23 ? -21.992 -14.007 -19.679 1.00 65.08  ? 21  HIS B O     1 
ATOM   604  C CB    . HIS B 1 23 ? -19.176 -13.268 -18.849 1.00 58.26  ? 21  HIS B CB    1 
ATOM   605  C CG    . HIS B 1 23 ? -18.038 -13.602 -17.940 1.00 63.45  ? 21  HIS B CG    1 
ATOM   606  N ND1   . HIS B 1 23 ? -18.220 -14.174 -16.698 1.00 71.57  ? 21  HIS B ND1   1 
ATOM   607  C CD2   . HIS B 1 23 ? -16.703 -13.448 -18.090 1.00 64.68  ? 21  HIS B CD2   1 
ATOM   608  C CE1   . HIS B 1 23 ? -17.045 -14.357 -16.124 1.00 75.18  ? 21  HIS B CE1   1 
ATOM   609  N NE2   . HIS B 1 23 ? -16.107 -13.924 -16.947 1.00 71.71  ? 21  HIS B NE2   1 
ATOM   610  N N     . GLY B 1 24 ? -20.973 -13.818 -21.671 1.00 61.62  ? 22  GLY B N     1 
ATOM   611  C CA    . GLY B 1 24 ? -22.177 -13.361 -22.351 1.00 60.62  ? 22  GLY B CA    1 
ATOM   612  C C     . GLY B 1 24 ? -22.550 -11.925 -22.006 1.00 54.81  ? 22  GLY B C     1 
ATOM   613  O O     . GLY B 1 24 ? -21.668 -11.090 -21.774 1.00 53.67  ? 22  GLY B O     1 
ATOM   614  N N     . ARG B 1 25 ? -23.855 -11.643 -21.977 1.00 53.26  ? 23  ARG B N     1 
ATOM   615  C CA    . ARG B 1 25 ? -24.382 -10.296 -21.712 1.00 56.17  ? 23  ARG B CA    1 
ATOM   616  C C     . ARG B 1 25 ? -23.722 -9.626  -20.503 1.00 50.09  ? 23  ARG B C     1 
ATOM   617  O O     . ARG B 1 25 ? -23.674 -10.201 -19.420 1.00 51.46  ? 23  ARG B O     1 
ATOM   618  C CB    . ARG B 1 25 ? -25.902 -10.348 -21.502 1.00 66.03  ? 23  ARG B CB    1 
ATOM   619  C CG    . ARG B 1 25 ? -26.724 -10.422 -22.784 1.00 70.82  ? 23  ARG B CG    1 
ATOM   620  C CD    . ARG B 1 25 ? -28.190 -10.758 -22.503 1.00 84.66  ? 23  ARG B CD    1 
ATOM   621  N NE    . ARG B 1 25 ? -28.770 -9.961  -21.419 1.00 92.06  ? 23  ARG B NE    1 
ATOM   622  C CZ    . ARG B 1 25 ? -29.427 -8.814  -21.586 1.00 91.39  ? 23  ARG B CZ    1 
ATOM   623  N NH1   . ARG B 1 25 ? -29.590 -8.307  -22.803 1.00 91.28  ? 23  ARG B NH1   1 
ATOM   624  N NH2   . ARG B 1 25 ? -29.919 -8.168  -20.534 1.00 86.99  ? 23  ARG B NH2   1 
ATOM   625  N N     . SER B 1 26 ? -23.223 -8.408  -20.695 1.00 44.47  ? 24  SER B N     1 
ATOM   626  C CA    . SER B 1 26 ? -22.475 -7.705  -19.656 1.00 46.88  ? 24  SER B CA    1 
ATOM   627  C C     . SER B 1 26 ? -22.557 -6.194  -19.834 1.00 42.06  ? 24  SER B C     1 
ATOM   628  O O     . SER B 1 26 ? -22.630 -5.698  -20.959 1.00 37.83  ? 24  SER B O     1 
ATOM   629  C CB    . SER B 1 26 ? -21.003 -8.126  -19.687 1.00 43.97  ? 24  SER B CB    1 
ATOM   630  O OG    . SER B 1 26 ? -20.870 -9.537  -19.643 1.00 48.53  ? 24  SER B OG    1 
ATOM   631  N N     . THR B 1 27 ? -22.545 -5.464  -18.723 1.00 38.88  ? 25  THR B N     1 
ATOM   632  C CA    . THR B 1 27 ? -22.383 -4.015  -18.784 1.00 39.36  ? 25  THR B CA    1 
ATOM   633  C C     . THR B 1 27 ? -20.896 -3.714  -18.743 1.00 38.92  ? 25  THR B C     1 
ATOM   634  O O     . THR B 1 27 ? -20.091 -4.606  -18.463 1.00 33.97  ? 25  THR B O     1 
ATOM   635  C CB    . THR B 1 27 ? -23.026 -3.302  -17.590 1.00 41.82  ? 25  THR B CB    1 
ATOM   636  O OG1   . THR B 1 27 ? -22.382 -3.724  -16.381 1.00 46.23  ? 25  THR B OG1   1 
ATOM   637  C CG2   . THR B 1 27 ? -24.515 -3.591  -17.514 1.00 46.04  ? 25  THR B CG2   1 
ATOM   638  N N     . VAL B 1 28 ? -20.535 -2.459  -18.997 1.00 35.92  ? 26  VAL B N     1 
ATOM   639  C CA    . VAL B 1 28 ? -19.137 -2.036  -18.932 1.00 35.72  ? 26  VAL B CA    1 
ATOM   640  C C     . VAL B 1 28 ? -18.566 -2.309  -17.534 1.00 38.23  ? 26  VAL B C     1 
ATOM   641  O O     . VAL B 1 28 ? -17.389 -2.645  -17.384 1.00 35.84  ? 26  VAL B O     1 
ATOM   642  C CB    . VAL B 1 28 ? -18.986 -0.529  -19.324 1.00 30.75  ? 26  VAL B CB    1 
ATOM   643  C CG1   . VAL B 1 28 ? -19.603 0.382   -18.268 1.00 30.68  ? 26  VAL B CG1   1 
ATOM   644  C CG2   . VAL B 1 28 ? -17.527 -0.178  -19.575 1.00 33.12  ? 26  VAL B CG2   1 
ATOM   645  N N     . GLN B 1 29 ? -19.432 -2.209  -16.524 1.00 30.96  ? 27  GLN B N     1 
ATOM   646  C CA    . GLN B 1 29 ? -19.083 -2.470  -15.130 1.00 44.66  ? 27  GLN B CA    1 
ATOM   647  C C     . GLN B 1 29 ? -18.446 -3.844  -14.910 1.00 45.03  ? 27  GLN B C     1 
ATOM   648  O O     . GLN B 1 29 ? -17.356 -3.954  -14.343 1.00 43.44  ? 27  GLN B O     1 
ATOM   649  C CB    . GLN B 1 29 ? -20.345 -2.355  -14.280 1.00 48.13  ? 27  GLN B CB    1 
ATOM   650  C CG    . GLN B 1 29 ? -21.072 -1.044  -14.507 1.00 48.81  ? 27  GLN B CG    1 
ATOM   651  C CD    . GLN B 1 29 ? -20.315 0.108   -13.901 1.00 49.48  ? 27  GLN B CD    1 
ATOM   652  O OE1   . GLN B 1 29 ? -19.747 -0.024  -12.816 1.00 52.25  ? 27  GLN B OE1   1 
ATOM   653  N NE2   . GLN B 1 29 ? -20.281 1.239   -14.598 1.00 41.23  ? 27  GLN B NE2   1 
ATOM   654  N N     . ASP B 1 30 ? -19.143 -4.885  -15.353 1.00 40.02  ? 28  ASP B N     1 
ATOM   655  C CA    . ASP B 1 30 ? -18.668 -6.251  -15.192 1.00 44.51  ? 28  ASP B CA    1 
ATOM   656  C C     . ASP B 1 30 ? -17.312 -6.391  -15.866 1.00 43.06  ? 28  ASP B C     1 
ATOM   657  O O     . ASP B 1 30 ? -16.379 -6.962  -15.307 1.00 46.47  ? 28  ASP B O     1 
ATOM   658  C CB    . ASP B 1 30 ? -19.659 -7.223  -15.829 1.00 54.85  ? 28  ASP B CB    1 
ATOM   659  C CG    . ASP B 1 30 ? -21.075 -7.028  -15.322 1.00 64.93  ? 28  ASP B CG    1 
ATOM   660  O OD1   . ASP B 1 30 ? -21.260 -6.965  -14.088 1.00 66.01  ? 28  ASP B OD1   1 
ATOM   661  O OD2   . ASP B 1 30 ? -22.000 -6.929  -16.157 1.00 67.07  ? 28  ASP B OD2   1 
ATOM   662  N N     . ILE B 1 31 ? -17.206 -5.833  -17.064 1.00 35.53  ? 29  ILE B N     1 
ATOM   663  C CA    . ILE B 1 31 ? -16.007 -5.992  -17.866 1.00 38.41  ? 29  ILE B CA    1 
ATOM   664  C C     . ILE B 1 31 ? -14.805 -5.294  -17.253 1.00 34.91  ? 29  ILE B C     1 
ATOM   665  O O     . ILE B 1 31 ? -13.767 -5.925  -17.030 1.00 38.36  ? 29  ILE B O     1 
ATOM   666  C CB    . ILE B 1 31 ? -16.202 -5.468  -19.295 1.00 39.77  ? 29  ILE B CB    1 
ATOM   667  C CG1   . ILE B 1 31 ? -17.405 -6.149  -19.954 1.00 44.30  ? 29  ILE B CG1   1 
ATOM   668  C CG2   . ILE B 1 31 ? -14.949 -5.716  -20.112 1.00 35.23  ? 29  ILE B CG2   1 
ATOM   669  C CD1   . ILE B 1 31 ? -17.699 -5.643  -21.368 1.00 39.98  ? 29  ILE B CD1   1 
ATOM   670  N N     . PHE B 1 32 ? -14.939 -4.002  -16.968 1.00 34.84  ? 30  PHE B N     1 
ATOM   671  C CA    . PHE B 1 32 ? -13.765 -3.253  -16.527 1.00 36.94  ? 30  PHE B CA    1 
ATOM   672  C C     . PHE B 1 32 ? -13.281 -3.674  -15.147 1.00 41.32  ? 30  PHE B C     1 
ATOM   673  O O     . PHE B 1 32 ? -12.082 -3.643  -14.871 1.00 46.06  ? 30  PHE B O     1 
ATOM   674  C CB    . PHE B 1 32 ? -13.936 -1.730  -16.700 1.00 27.08  ? 30  PHE B CB    1 
ATOM   675  C CG    . PHE B 1 32 ? -14.550 -1.003  -15.508 1.00 37.25  ? 30  PHE B CG    1 
ATOM   676  C CD1   . PHE B 1 32 ? -13.792 -0.703  -14.384 1.00 35.98  ? 30  PHE B CD1   1 
ATOM   677  C CD2   . PHE B 1 32 ? -15.864 -0.552  -15.558 1.00 32.68  ? 30  PHE B CD2   1 
ATOM   678  C CE1   . PHE B 1 32 ? -14.351 -0.020  -13.303 1.00 41.53  ? 30  PHE B CE1   1 
ATOM   679  C CE2   . PHE B 1 32 ? -16.429 0.140   -14.493 1.00 30.92  ? 30  PHE B CE2   1 
ATOM   680  C CZ    . PHE B 1 32 ? -15.673 0.404   -13.360 1.00 34.47  ? 30  PHE B CZ    1 
ATOM   681  N N     . LYS B 1 33 ? -14.207 -4.108  -14.295 1.00 43.53  ? 31  LYS B N     1 
ATOM   682  C CA    . LYS B 1 33 ? -13.833 -4.551  -12.955 1.00 41.79  ? 31  LYS B CA    1 
ATOM   683  C C     . LYS B 1 33 ? -13.069 -5.867  -13.018 1.00 45.87  ? 31  LYS B C     1 
ATOM   684  O O     . LYS B 1 33 ? -12.127 -6.087  -12.259 1.00 50.15  ? 31  LYS B O     1 
ATOM   685  C CB    . LYS B 1 33 ? -15.065 -4.674  -12.052 1.00 46.42  ? 31  LYS B CB    1 
ATOM   686  C CG    . LYS B 1 33 ? -15.669 -3.329  -11.685 1.00 46.64  ? 31  LYS B CG    1 
ATOM   687  C CD    . LYS B 1 33 ? -17.031 -3.454  -11.010 1.00 56.20  ? 31  LYS B CD    1 
ATOM   688  C CE    . LYS B 1 33 ? -17.687 -2.075  -10.890 1.00 53.62  ? 31  LYS B CE    1 
ATOM   689  N NZ    . LYS B 1 33 ? -19.098 -2.110  -10.413 1.00 50.42  ? 31  LYS B NZ    1 
ATOM   690  N N     . GLU B 1 34 ? -13.465 -6.737  -13.938 1.00 43.74  ? 32  GLU B N     1 
ATOM   691  C CA    . GLU B 1 34 ? -12.780 -8.022  -14.092 1.00 47.73  ? 32  GLU B CA    1 
ATOM   692  C C     . GLU B 1 34 ? -11.433 -7.858  -14.789 1.00 48.74  ? 32  GLU B C     1 
ATOM   693  O O     . GLU B 1 34 ? -10.445 -8.436  -14.372 1.00 51.02  ? 32  GLU B O     1 
ATOM   694  C CB    . GLU B 1 34 ? -13.643 -8.999  -14.883 1.00 48.51  ? 32  GLU B CB    1 
ATOM   695  C CG    . GLU B 1 34 ? -12.995 -10.354 -15.108 1.00 62.79  ? 32  GLU B CG    1 
ATOM   696  C CD    . GLU B 1 34 ? -13.112 -11.252 -13.902 1.00 74.97  ? 32  GLU B CD    1 
ATOM   697  O OE1   . GLU B 1 34 ? -14.034 -11.038 -13.086 1.00 80.74  ? 32  GLU B OE1   1 
ATOM   698  O OE2   . GLU B 1 34 ? -12.281 -12.172 -13.768 1.00 77.17  ? 32  GLU B OE2   1 
ATOM   699  N N     . LEU B 1 35 ? -11.392 -7.056  -15.849 1.00 49.76  ? 33  LEU B N     1 
ATOM   700  C CA    . LEU B 1 35 ? -10.169 -6.931  -16.640 1.00 51.05  ? 33  LEU B CA    1 
ATOM   701  C C     . LEU B 1 35 ? -9.122  -6.040  -15.976 1.00 49.95  ? 33  LEU B C     1 
ATOM   702  O O     . LEU B 1 35 ? -7.955  -6.043  -16.377 1.00 44.62  ? 33  LEU B O     1 
ATOM   703  C CB    . LEU B 1 35 ? -10.488 -6.412  -18.046 1.00 42.84  ? 33  LEU B CB    1 
ATOM   704  C CG    . LEU B 1 35 ? -11.427 -7.278  -18.893 1.00 41.88  ? 33  LEU B CG    1 
ATOM   705  C CD1   . LEU B 1 35 ? -11.461 -6.766  -20.323 1.00 35.96  ? 33  LEU B CD1   1 
ATOM   706  C CD2   . LEU B 1 35 ? -11.005 -8.736  -18.868 1.00 47.23  ? 33  LEU B CD2   1 
ATOM   707  N N     . LYS B 1 36 ? -9.544  -5.292  -14.958 1.00 46.86  ? 34  LYS B N     1 
ATOM   708  C CA    . LYS B 1 36 ? -8.695  -4.291  -14.310 1.00 45.18  ? 34  LYS B CA    1 
ATOM   709  C C     . LYS B 1 36 ? -8.227  -3.256  -15.334 1.00 41.77  ? 34  LYS B C     1 
ATOM   710  O O     . LYS B 1 36 ? -7.036  -3.007  -15.492 1.00 42.03  ? 34  LYS B O     1 
ATOM   711  C CB    . LYS B 1 36 ? -7.509  -4.935  -13.564 1.00 47.40  ? 34  LYS B CB    1 
ATOM   712  C CG    . LYS B 1 36 ? -7.931  -5.838  -12.411 1.00 51.61  ? 34  LYS B CG    1 
ATOM   713  C CD    . LYS B 1 36 ? -6.733  -6.497  -11.729 1.00 60.47  ? 34  LYS B CD    1 
ATOM   714  N N     . LEU B 1 37 ? -9.192  -2.676  -16.037 1.00 37.16  ? 35  LEU B N     1 
ATOM   715  C CA    . LEU B 1 37 ? -8.946  -1.595  -16.986 1.00 38.07  ? 35  LEU B CA    1 
ATOM   716  C C     . LEU B 1 37 ? -9.870  -0.448  -16.600 1.00 37.08  ? 35  LEU B C     1 
ATOM   717  O O     . LEU B 1 37 ? -10.826 -0.660  -15.859 1.00 40.05  ? 35  LEU B O     1 
ATOM   718  C CB    . LEU B 1 37 ? -9.270  -2.058  -18.407 1.00 33.88  ? 35  LEU B CB    1 
ATOM   719  C CG    . LEU B 1 37 ? -8.405  -3.189  -18.960 1.00 42.67  ? 35  LEU B CG    1 
ATOM   720  C CD1   . LEU B 1 37 ? -8.941  -3.680  -20.295 1.00 38.99  ? 35  LEU B CD1   1 
ATOM   721  C CD2   . LEU B 1 37 ? -6.945  -2.754  -19.082 1.00 41.94  ? 35  LEU B CD2   1 
ATOM   722  N N     . GLU B 1 38 ? -9.592  0.760   -17.082 1.00 35.57  ? 36  GLU B N     1 
ATOM   723  C CA    . GLU B 1 38 ? -10.492 1.878   -16.829 1.00 36.64  ? 36  GLU B CA    1 
ATOM   724  C C     . GLU B 1 38 ? -11.789 1.651   -17.600 1.00 31.13  ? 36  GLU B C     1 
ATOM   725  O O     . GLU B 1 38 ? -11.779 1.085   -18.700 1.00 29.59  ? 36  GLU B O     1 
ATOM   726  C CB    . GLU B 1 38 ? -9.873  3.221   -17.238 1.00 35.79  ? 36  GLU B CB    1 
ATOM   727  C CG    . GLU B 1 38 ? -8.602  3.622   -16.476 1.00 39.83  ? 36  GLU B CG    1 
ATOM   728  C CD    . GLU B 1 38 ? -8.870  4.095   -15.061 1.00 44.71  ? 36  GLU B CD    1 
ATOM   729  O OE1   . GLU B 1 38 ? -10.038 4.073   -14.626 1.00 44.01  ? 36  GLU B OE1   1 
ATOM   730  O OE2   . GLU B 1 38 ? -7.908  4.502   -14.375 1.00 44.42  ? 36  GLU B OE2   1 
ATOM   731  N N     . LYS B 1 39 ? -12.899 2.081   -17.005 1.00 30.25  ? 37  LYS B N     1 
ATOM   732  C CA    . LYS B 1 39 ? -14.203 2.044   -17.657 1.00 30.11  ? 37  LYS B CA    1 
ATOM   733  C C     . LYS B 1 39 ? -14.163 2.716   -19.024 1.00 31.96  ? 37  LYS B C     1 
ATOM   734  O O     . LYS B 1 39 ? -14.752 2.230   -19.990 1.00 31.32  ? 37  LYS B O     1 
ATOM   735  C CB    . LYS B 1 39 ? -15.250 2.751   -16.787 1.00 29.65  ? 37  LYS B CB    1 
ATOM   736  C CG    . LYS B 1 39 ? -16.631 2.896   -17.460 1.00 29.83  ? 37  LYS B CG    1 
ATOM   737  C CD    . LYS B 1 39 ? -17.702 3.425   -16.499 1.00 29.53  ? 37  LYS B CD    1 
ATOM   738  C CE    . LYS B 1 39 ? -17.474 4.900   -16.149 1.00 36.68  ? 37  LYS B CE    1 
ATOM   739  N NZ    . LYS B 1 39 ? -17.806 5.823   -17.278 1.00 31.98  ? 37  LYS B NZ    1 
ATOM   740  N N     . SER B 1 40 ? -13.487 3.856   -19.099 1.00 30.47  ? 38  SER B N     1 
ATOM   741  C CA    . SER B 1 40 ? -13.405 4.604   -20.355 1.00 31.51  ? 38  SER B CA    1 
ATOM   742  C C     . SER B 1 40 ? -12.660 3.831   -21.446 1.00 30.55  ? 38  SER B C     1 
ATOM   743  O O     . SER B 1 40 ? -13.050 3.863   -22.626 1.00 29.54  ? 38  SER B O     1 
ATOM   744  C CB    . SER B 1 40 ? -12.730 5.957   -20.121 1.00 33.23  ? 38  SER B CB    1 
ATOM   745  O OG    . SER B 1 40 ? -11.405 5.764   -19.648 1.00 33.74  ? 38  SER B OG    1 
ATOM   746  N N     . THR B 1 41 ? -11.574 3.166   -21.067 1.00 28.13  ? 39  THR B N     1 
ATOM   747  C CA    . THR B 1 41 ? -10.813 2.356   -22.023 1.00 33.57  ? 39  THR B CA    1 
ATOM   748  C C     . THR B 1 41 ? -11.727 1.272   -22.587 1.00 38.85  ? 39  THR B C     1 
ATOM   749  O O     . THR B 1 41 ? -11.756 1.035   -23.796 1.00 32.39  ? 39  THR B O     1 
ATOM   750  C CB    . THR B 1 41 ? -9.599  1.687   -21.367 1.00 33.76  ? 39  THR B CB    1 
ATOM   751  O OG1   . THR B 1 41 ? -8.861  2.667   -20.624 1.00 37.67  ? 39  THR B OG1   1 
ATOM   752  C CG2   . THR B 1 41 ? -8.686  1.060   -22.419 1.00 37.77  ? 39  THR B CG2   1 
ATOM   753  N N     . VAL B 1 42 ? -12.492 0.631   -21.708 1.00 28.95  ? 40  VAL B N     1 
ATOM   754  C CA    . VAL B 1 42 ? -13.370 -0.444  -22.143 1.00 36.41  ? 40  VAL B CA    1 
ATOM   755  C C     . VAL B 1 42 ? -14.497 0.071   -23.032 1.00 33.32  ? 40  VAL B C     1 
ATOM   756  O O     . VAL B 1 42 ? -14.785 -0.543  -24.060 1.00 34.30  ? 40  VAL B O     1 
ATOM   757  C CB    . VAL B 1 42 ? -13.924 -1.266  -20.962 1.00 31.07  ? 40  VAL B CB    1 
ATOM   758  C CG1   . VAL B 1 42 ? -14.960 -2.268  -21.459 1.00 35.36  ? 40  VAL B CG1   1 
ATOM   759  C CG2   . VAL B 1 42 ? -12.781 -1.997  -20.250 1.00 34.60  ? 40  VAL B CG2   1 
ATOM   760  N N     . ASN B 1 43 ? -15.134 1.183   -22.637 1.00 29.00  ? 41  ASN B N     1 
ATOM   761  C CA    . ASN B 1 43 ? -16.194 1.785   -23.441 1.00 29.01  ? 41  ASN B CA    1 
ATOM   762  C C     . ASN B 1 43 ? -15.724 2.226   -24.823 1.00 34.53  ? 41  ASN B C     1 
ATOM   763  O O     . ASN B 1 43 ? -16.440 2.037   -25.812 1.00 28.56  ? 41  ASN B O     1 
ATOM   764  C CB    . ASN B 1 43 ? -16.853 2.983   -22.722 1.00 28.32  ? 41  ASN B CB    1 
ATOM   765  C CG    . ASN B 1 43 ? -18.128 2.597   -21.997 1.00 30.31  ? 41  ASN B CG    1 
ATOM   766  O OD1   . ASN B 1 43 ? -18.802 1.637   -22.379 1.00 33.95  ? 41  ASN B OD1   1 
ATOM   767  N ND2   . ASN B 1 43 ? -18.470 3.349   -20.948 1.00 29.45  ? 41  ASN B ND2   1 
ATOM   768  N N     . ARG B 1 44 ? -14.543 2.843   -24.883 1.00 31.40  ? 42  ARG B N     1 
ATOM   769  C CA    . ARG B 1 44 ? -13.944 3.213   -26.166 1.00 29.95  ? 42  ARG B CA    1 
ATOM   770  C C     . ARG B 1 44 ? -13.943 2.022   -27.116 1.00 30.95  ? 42  ARG B C     1 
ATOM   771  O O     . ARG B 1 44 ? -14.385 2.131   -28.266 1.00 32.45  ? 42  ARG B O     1 
ATOM   772  C CB    . ARG B 1 44 ? -12.500 3.709   -25.989 1.00 30.35  ? 42  ARG B CB    1 
ATOM   773  C CG    . ARG B 1 44 ? -11.741 3.933   -27.320 1.00 33.82  ? 42  ARG B CG    1 
ATOM   774  C CD    . ARG B 1 44 ? -10.323 4.523   -27.062 1.00 34.28  ? 42  ARG B CD    1 
ATOM   775  N NE    . ARG B 1 44 ? -10.438 5.599   -26.076 1.00 33.06  ? 42  ARG B NE    1 
ATOM   776  C CZ    . ARG B 1 44 ? -9.787  5.638   -24.915 1.00 38.83  ? 42  ARG B CZ    1 
ATOM   777  N NH1   . ARG B 1 44 ? -8.912  4.679   -24.608 1.00 38.43  ? 42  ARG B NH1   1 
ATOM   778  N NH2   . ARG B 1 44 ? -9.997  6.652   -24.075 1.00 33.87  ? 42  ARG B NH2   1 
ATOM   779  N N     . HIS B 1 45 ? -13.433 0.887   -26.640 1.00 31.22  ? 43  HIS B N     1 
ATOM   780  C CA    . HIS B 1 45 ? -13.310 -0.278  -27.508 1.00 33.41  ? 43  HIS B CA    1 
ATOM   781  C C     . HIS B 1 45 ? -14.646 -0.967  -27.752 1.00 35.02  ? 43  HIS B C     1 
ATOM   782  O O     . HIS B 1 45 ? -14.880 -1.477  -28.842 1.00 38.19  ? 43  HIS B O     1 
ATOM   783  C CB    . HIS B 1 45 ? -12.229 -1.241  -27.011 1.00 37.71  ? 43  HIS B CB    1 
ATOM   784  C CG    . HIS B 1 45 ? -10.849 -0.692  -27.163 1.00 44.77  ? 43  HIS B CG    1 
ATOM   785  N ND1   . HIS B 1 45 ? -10.152 -0.756  -28.348 1.00 46.56  ? 43  HIS B ND1   1 
ATOM   786  C CD2   . HIS B 1 45 ? -10.060 -0.007  -26.300 1.00 45.16  ? 43  HIS B CD2   1 
ATOM   787  C CE1   . HIS B 1 45 ? -8.981  -0.161  -28.202 1.00 54.72  ? 43  HIS B CE1   1 
ATOM   788  N NE2   . HIS B 1 45 ? -8.902  0.303   -26.968 1.00 48.24  ? 43  HIS B NE2   1 
ATOM   789  N N     . LEU B 1 46 ? -15.536 -0.945  -26.759 1.00 33.93  ? 44  LEU B N     1 
ATOM   790  C CA    . LEU B 1 46 ? -16.889 -1.461  -26.964 1.00 31.66  ? 44  LEU B CA    1 
ATOM   791  C C     . LEU B 1 46 ? -17.572 -0.725  -28.111 1.00 32.87  ? 44  LEU B C     1 
ATOM   792  O O     . LEU B 1 46 ? -18.151 -1.343  -29.010 1.00 34.51  ? 44  LEU B O     1 
ATOM   793  C CB    . LEU B 1 46 ? -17.735 -1.360  -25.691 1.00 29.93  ? 44  LEU B CB    1 
ATOM   794  C CG    . LEU B 1 46 ? -17.474 -2.433  -24.625 1.00 36.72  ? 44  LEU B CG    1 
ATOM   795  C CD1   . LEU B 1 46 ? -18.366 -2.228  -23.415 1.00 31.52  ? 44  LEU B CD1   1 
ATOM   796  C CD2   . LEU B 1 46 ? -17.673 -3.831  -25.196 1.00 43.21  ? 44  LEU B CD2   1 
ATOM   797  N N     . TYR B 1 47 ? -17.512 0.599   -28.088 1.00 31.72  ? 45  TYR B N     1 
ATOM   798  C CA    . TYR B 1 47 ? -18.210 1.350   -29.125 1.00 33.47  ? 45  TYR B CA    1 
ATOM   799  C C     . TYR B 1 47 ? -17.473 1.204   -30.466 1.00 37.73  ? 45  TYR B C     1 
ATOM   800  O O     . TYR B 1 47 ? -18.095 1.183   -31.523 1.00 38.70  ? 45  TYR B O     1 
ATOM   801  C CB    . TYR B 1 47 ? -18.428 2.813   -28.716 1.00 34.42  ? 45  TYR B CB    1 
ATOM   802  C CG    . TYR B 1 47 ? -19.600 3.021   -27.764 1.00 33.79  ? 45  TYR B CG    1 
ATOM   803  C CD1   . TYR B 1 47 ? -19.440 2.908   -26.385 1.00 32.76  ? 45  TYR B CD1   1 
ATOM   804  C CD2   . TYR B 1 47 ? -20.874 3.316   -28.250 1.00 33.84  ? 45  TYR B CD2   1 
ATOM   805  C CE1   . TYR B 1 47 ? -20.532 3.097   -25.507 1.00 29.29  ? 45  TYR B CE1   1 
ATOM   806  C CE2   . TYR B 1 47 ? -21.958 3.502   -27.389 1.00 36.65  ? 45  TYR B CE2   1 
ATOM   807  C CZ    . TYR B 1 47 ? -21.777 3.390   -26.021 1.00 34.94  ? 45  TYR B CZ    1 
ATOM   808  O OH    . TYR B 1 47 ? -22.841 3.589   -25.161 1.00 32.00  ? 45  TYR B OH    1 
ATOM   809  N N     . SER B 1 48 ? -16.151 1.065   -30.415 1.00 36.15  ? 46  SER B N     1 
ATOM   810  C CA    . SER B 1 48 ? -15.380 0.786   -31.626 1.00 45.66  ? 46  SER B CA    1 
ATOM   811  C C     . SER B 1 48 ? -15.752 -0.572  -32.213 1.00 44.61  ? 46  SER B C     1 
ATOM   812  O O     . SER B 1 48 ? -15.957 -0.711  -33.422 1.00 44.31  ? 46  SER B O     1 
ATOM   813  C CB    . SER B 1 48 ? -13.878 0.810   -31.335 1.00 42.55  ? 46  SER B CB    1 
ATOM   814  O OG    . SER B 1 48 ? -13.156 0.509   -32.516 1.00 51.62  ? 46  SER B OG    1 
ATOM   815  N N     . LEU B 1 49 ? -15.830 -1.574  -31.342 1.00 41.45  ? 47  LEU B N     1 
ATOM   816  C CA    . LEU B 1 49 ? -16.202 -2.923  -31.758 1.00 42.08  ? 47  LEU B CA    1 
ATOM   817  C C     . LEU B 1 49 ? -17.650 -2.972  -32.243 1.00 46.36  ? 47  LEU B C     1 
ATOM   818  O O     . LEU B 1 49 ? -18.001 -3.805  -33.072 1.00 49.28  ? 47  LEU B O     1 
ATOM   819  C CB    . LEU B 1 49 ? -16.001 -3.907  -30.607 1.00 41.15  ? 47  LEU B CB    1 
ATOM   820  C CG    . LEU B 1 49 ? -14.547 -4.292  -30.325 1.00 49.38  ? 47  LEU B CG    1 
ATOM   821  C CD1   . LEU B 1 49 ? -14.411 -4.919  -28.944 1.00 43.63  ? 47  LEU B CD1   1 
ATOM   822  C CD2   . LEU B 1 49 ? -14.066 -5.247  -31.399 1.00 50.69  ? 47  LEU B CD2   1 
ATOM   823  N N     . GLN B 1 50 ? -18.494 -2.090  -31.719 1.00 43.23  ? 48  GLN B N     1 
ATOM   824  C CA    . GLN B 1 50 ? -19.878 -2.047  -32.177 1.00 45.46  ? 48  GLN B CA    1 
ATOM   825  C C     . GLN B 1 50 ? -19.899 -1.578  -33.624 1.00 49.68  ? 48  GLN B C     1 
ATOM   826  O O     . GLN B 1 50 ? -20.598 -2.145  -34.469 1.00 55.03  ? 48  GLN B O     1 
ATOM   827  C CB    . GLN B 1 50 ? -20.719 -1.118  -31.307 1.00 42.52  ? 48  GLN B CB    1 
ATOM   828  C CG    . GLN B 1 50 ? -22.192 -1.082  -31.704 1.00 49.59  ? 48  GLN B CG    1 
ATOM   829  C CD    . GLN B 1 50 ? -22.952 0.052   -31.038 1.00 54.35  ? 48  GLN B CD    1 
ATOM   830  O OE1   . GLN B 1 50 ? -24.102 -0.111  -30.632 1.00 56.14  ? 48  GLN B OE1   1 
ATOM   831  N NE2   . GLN B 1 50 ? -22.313 1.212   -30.933 1.00 52.16  ? 48  GLN B NE2   1 
ATOM   832  N N     . ALA B 1 51 ? -19.106 -0.548  -33.903 1.00 51.09  ? 49  ALA B N     1 
ATOM   833  C CA    . ALA B 1 51 ? -19.020 0.021   -35.242 1.00 54.13  ? 49  ALA B CA    1 
ATOM   834  C C     . ALA B 1 51 ? -18.569 -1.017  -36.268 1.00 60.41  ? 49  ALA B C     1 
ATOM   835  O O     . ALA B 1 51 ? -19.084 -1.058  -37.387 1.00 66.90  ? 49  ALA B O     1 
ATOM   836  C CB    . ALA B 1 51 ? -18.082 1.218   -35.240 1.00 51.68  ? 49  ALA B CB    1 
ATOM   837  N N     . SER B 1 52 ? -17.615 -1.864  -35.890 1.00 59.27  ? 50  SER B N     1 
ATOM   838  C CA    . SER B 1 52 ? -17.137 -2.907  -36.799 1.00 63.95  ? 50  SER B CA    1 
ATOM   839  C C     . SER B 1 52 ? -17.928 -4.213  -36.684 1.00 68.23  ? 50  SER B C     1 
ATOM   840  O O     . SER B 1 52 ? -17.444 -5.274  -37.079 1.00 74.04  ? 50  SER B O     1 
ATOM   841  C CB    . SER B 1 52 ? -15.644 -3.170  -36.592 1.00 67.09  ? 50  SER B CB    1 
ATOM   842  O OG    . SER B 1 52 ? -15.372 -3.560  -35.257 1.00 63.79  ? 50  SER B OG    1 
ATOM   843  N N     . LYS B 1 53 ? -19.140 -4.123  -36.139 1.00 63.01  ? 51  LYS B N     1 
ATOM   844  C CA    . LYS B 1 53 ? -20.067 -5.258  -36.056 1.00 62.86  ? 51  LYS B CA    1 
ATOM   845  C C     . LYS B 1 53 ? -19.506 -6.513  -35.376 1.00 62.69  ? 51  LYS B C     1 
ATOM   846  O O     . LYS B 1 53 ? -19.817 -7.634  -35.779 1.00 66.12  ? 51  LYS B O     1 
ATOM   847  C CB    . LYS B 1 53 ? -20.620 -5.612  -37.444 1.00 72.12  ? 51  LYS B CB    1 
ATOM   848  C CG    . LYS B 1 53 ? -21.488 -4.529  -38.064 1.00 80.68  ? 51  LYS B CG    1 
ATOM   849  C CD    . LYS B 1 53 ? -22.665 -4.185  -37.167 1.00 86.94  ? 51  LYS B CD    1 
ATOM   850  C CE    . LYS B 1 53 ? -23.428 -2.975  -37.689 1.00 95.20  ? 51  LYS B CE    1 
ATOM   851  N NZ    . LYS B 1 53 ? -24.346 -2.406  -36.658 1.00 94.64  ? 51  LYS B NZ    1 
ATOM   852  N N     . GLN B 1 54 ? -18.696 -6.327  -34.339 1.00 60.37  ? 52  GLN B N     1 
ATOM   853  C CA    . GLN B 1 54 ? -18.153 -7.457  -33.595 1.00 56.06  ? 52  GLN B CA    1 
ATOM   854  C C     . GLN B 1 54 ? -18.896 -7.653  -32.278 1.00 50.95  ? 52  GLN B C     1 
ATOM   855  O O     . GLN B 1 54 ? -18.983 -8.765  -31.763 1.00 55.25  ? 52  GLN B O     1 
ATOM   856  C CB    . GLN B 1 54 ? -16.663 -7.259  -33.338 1.00 58.57  ? 52  GLN B CB    1 
ATOM   857  C CG    . GLN B 1 54 ? -15.844 -7.128  -34.608 1.00 67.26  ? 52  GLN B CG    1 
ATOM   858  C CD    . GLN B 1 54 ? -14.621 -8.016  -34.594 1.00 76.34  ? 52  GLN B CD    1 
ATOM   859  O OE1   . GLN B 1 54 ? -14.693 -9.192  -34.963 1.00 81.21  ? 52  GLN B OE1   1 
ATOM   860  N NE2   . GLN B 1 54 ? -13.488 -7.464  -34.161 1.00 70.87  ? 52  GLN B NE2   1 
ATOM   861  N N     . VAL B 1 55 ? -19.430 -6.565  -31.736 1.00 47.37  ? 53  VAL B N     1 
ATOM   862  C CA    . VAL B 1 55 ? -20.280 -6.637  -30.556 1.00 54.38  ? 53  VAL B CA    1 
ATOM   863  C C     . VAL B 1 55 ? -21.577 -5.879  -30.813 1.00 60.68  ? 53  VAL B C     1 
ATOM   864  O O     . VAL B 1 55 ? -21.684 -5.113  -31.774 1.00 45.59  ? 53  VAL B O     1 
ATOM   865  C CB    . VAL B 1 55 ? -19.593 -6.052  -29.298 1.00 41.76  ? 53  VAL B CB    1 
ATOM   866  C CG1   . VAL B 1 55 ? -18.246 -6.738  -29.053 1.00 43.01  ? 53  VAL B CG1   1 
ATOM   867  C CG2   . VAL B 1 55 ? -19.427 -4.544  -29.419 1.00 39.42  ? 53  VAL B CG2   1 
ATOM   868  N N     . PHE B 1 56 ? -22.568 -6.105  -29.961 1.00 44.10  ? 54  PHE B N     1 
ATOM   869  C CA    . PHE B 1 56 ? -23.812 -5.349  -30.049 1.00 44.05  ? 54  PHE B CA    1 
ATOM   870  C C     . PHE B 1 56 ? -24.284 -4.981  -28.666 1.00 50.47  ? 54  PHE B C     1 
ATOM   871  O O     . PHE B 1 56 ? -23.918 -5.627  -27.683 1.00 40.75  ? 54  PHE B O     1 
ATOM   872  C CB    . PHE B 1 56 ? -24.896 -6.117  -30.809 1.00 47.94  ? 54  PHE B CB    1 
ATOM   873  C CG    . PHE B 1 56 ? -25.541 -7.232  -30.023 1.00 49.18  ? 54  PHE B CG    1 
ATOM   874  C CD1   . PHE B 1 56 ? -25.015 -8.517  -30.054 1.00 51.34  ? 54  PHE B CD1   1 
ATOM   875  C CD2   . PHE B 1 56 ? -26.694 -7.008  -29.284 1.00 50.59  ? 54  PHE B CD2   1 
ATOM   876  C CE1   . PHE B 1 56 ? -25.622 -9.554  -29.356 1.00 53.37  ? 54  PHE B CE1   1 
ATOM   877  C CE2   . PHE B 1 56 ? -27.301 -8.043  -28.578 1.00 53.06  ? 54  PHE B CE2   1 
ATOM   878  C CZ    . PHE B 1 56 ? -26.761 -9.318  -28.620 1.00 53.06  ? 54  PHE B CZ    1 
ATOM   879  N N     . LYS B 1 57 ? -25.094 -3.933  -28.588 1.00 44.42  ? 55  LYS B N     1 
ATOM   880  C CA    . LYS B 1 57 ? -25.607 -3.501  -27.304 1.00 44.57  ? 55  LYS B CA    1 
ATOM   881  C C     . LYS B 1 57 ? -27.117 -3.367  -27.327 1.00 46.16  ? 55  LYS B C     1 
ATOM   882  O O     . LYS B 1 57 ? -27.712 -3.044  -28.355 1.00 44.57  ? 55  LYS B O     1 
ATOM   883  C CB    . LYS B 1 57 ? -24.978 -2.178  -26.873 1.00 40.87  ? 55  LYS B CB    1 
ATOM   884  C CG    . LYS B 1 57 ? -25.555 -0.943  -27.554 1.00 49.73  ? 55  LYS B CG    1 
ATOM   885  C CD    . LYS B 1 57 ? -25.138 0.326   -26.790 1.00 45.21  ? 55  LYS B CD    1 
ATOM   886  C CE    . LYS B 1 57 ? -24.924 1.497   -27.731 1.00 49.78  ? 55  LYS B CE    1 
ATOM   887  N NZ    . LYS B 1 57 ? -26.125 1.805   -28.558 1.00 50.31  ? 55  LYS B NZ    1 
ATOM   888  N N     . THR B 1 58 ? -27.729 -3.632  -26.181 1.00 47.18  ? 56  THR B N     1 
ATOM   889  C CA    . THR B 1 58 ? -29.138 -3.343  -25.987 1.00 52.39  ? 56  THR B CA    1 
ATOM   890  C C     . THR B 1 58 ? -29.217 -2.327  -24.862 1.00 53.60  ? 56  THR B C     1 
ATOM   891  O O     . THR B 1 58 ? -28.403 -2.359  -23.925 1.00 45.02  ? 56  THR B O     1 
ATOM   892  C CB    . THR B 1 58 ? -29.937 -4.600  -25.618 1.00 55.10  ? 56  THR B CB    1 
ATOM   893  O OG1   . THR B 1 58 ? -29.486 -5.099  -24.353 1.00 59.94  ? 56  THR B OG1   1 
ATOM   894  C CG2   . THR B 1 58 ? -29.756 -5.677  -26.685 1.00 57.04  ? 56  THR B CG2   1 
ATOM   895  N N     . VAL B 1 59 ? -30.165 -1.402  -24.965 1.00 59.05  ? 57  VAL B N     1 
ATOM   896  C CA    . VAL B 1 59 ? -30.306 -0.355  -23.960 1.00 57.36  ? 57  VAL B CA    1 
ATOM   897  C C     . VAL B 1 59 ? -31.775 -0.153  -23.574 1.00 62.02  ? 57  VAL B C     1 
ATOM   898  O O     . VAL B 1 59 ? -32.601 0.229   -24.399 1.00 65.56  ? 57  VAL B O     1 
ATOM   899  C CB    . VAL B 1 59 ? -29.653 0.990   -24.418 1.00 68.11  ? 57  VAL B CB    1 
ATOM   900  C CG1   . VAL B 1 59 ? -28.189 0.793   -24.705 1.00 61.23  ? 57  VAL B CG1   1 
ATOM   901  C CG2   . VAL B 1 59 ? -30.323 1.559   -25.664 1.00 76.91  ? 57  VAL B CG2   1 
ATOM   902  N N     . GLU B 1 60 ? -32.110 -0.458  -22.328 1.00 63.76  ? 58  GLU B N     1 
ATOM   903  C CA    . GLU B 1 60 ? -33.419 -0.086  -21.814 1.00 67.71  ? 58  GLU B CA    1 
ATOM   904  C C     . GLU B 1 60 ? -33.290 1.375   -21.420 1.00 70.17  ? 58  GLU B C     1 
ATOM   905  O O     . GLU B 1 60 ? -32.227 1.791   -20.962 1.00 63.31  ? 58  GLU B O     1 
ATOM   906  C CB    . GLU B 1 60 ? -33.797 -0.943  -20.607 1.00 68.22  ? 58  GLU B CB    1 
ATOM   907  N N     . ASP B 1 61 ? -34.350 2.155   -21.619 1.00 70.77  ? 59  ASP B N     1 
ATOM   908  C CA    . ASP B 1 61 ? -34.325 3.589   -21.320 1.00 73.02  ? 59  ASP B CA    1 
ATOM   909  C C     . ASP B 1 61 ? -33.756 3.881   -19.924 1.00 64.38  ? 59  ASP B C     1 
ATOM   910  O O     . ASP B 1 61 ? -34.150 3.251   -18.941 1.00 65.40  ? 59  ASP B O     1 
ATOM   911  C CB    . ASP B 1 61 ? -35.728 4.201   -21.459 1.00 86.26  ? 59  ASP B CB    1 
ATOM   912  C CG    . ASP B 1 61 ? -36.279 4.118   -22.882 1.00 96.94  ? 59  ASP B CG    1 
ATOM   913  O OD1   . ASP B 1 61 ? -35.490 3.954   -23.837 1.00 98.08  ? 59  ASP B OD1   1 
ATOM   914  O OD2   . ASP B 1 61 ? -37.513 4.232   -23.047 1.00 107.87 ? 59  ASP B OD2   1 
ATOM   915  N N     . ASN B 1 62 ? -32.810 4.816   -19.855 1.00 60.99  ? 60  ASN B N     1 
ATOM   916  C CA    . ASN B 1 62 ? -32.192 5.223   -18.586 1.00 58.53  ? 60  ASN B CA    1 
ATOM   917  C C     . ASN B 1 62 ? -31.461 4.103   -17.838 1.00 59.47  ? 60  ASN B C     1 
ATOM   918  O O     . ASN B 1 62 ? -31.394 4.100   -16.609 1.00 63.34  ? 60  ASN B O     1 
ATOM   919  C CB    . ASN B 1 62 ? -33.228 5.883   -17.674 1.00 62.01  ? 60  ASN B CB    1 
ATOM   920  C CG    . ASN B 1 62 ? -33.718 7.198   -18.223 1.00 70.68  ? 60  ASN B CG    1 
ATOM   921  O OD1   . ASN B 1 62 ? -32.927 8.106   -18.481 1.00 69.72  ? 60  ASN B OD1   1 
ATOM   922  N ND2   . ASN B 1 62 ? -35.027 7.305   -18.425 1.00 69.71  ? 60  ASN B ND2   1 
ATOM   923  N N     . LYS B 1 63 ? -30.919 3.150   -18.584 1.00 60.36  ? 61  LYS B N     1 
ATOM   924  C CA    . LYS B 1 63 ? -30.157 2.065   -17.984 1.00 57.04  ? 61  LYS B CA    1 
ATOM   925  C C     . LYS B 1 63 ? -28.828 1.870   -18.696 1.00 51.41  ? 61  LYS B C     1 
ATOM   926  O O     . LYS B 1 63 ? -28.667 2.272   -19.848 1.00 48.60  ? 61  LYS B O     1 
ATOM   927  C CB    . LYS B 1 63 ? -30.961 0.763   -18.007 1.00 56.32  ? 61  LYS B CB    1 
ATOM   928  C CG    . LYS B 1 63 ? -32.003 0.670   -16.910 1.00 63.87  ? 61  LYS B CG    1 
ATOM   929  C CD    . LYS B 1 63 ? -32.624 -0.716  -16.859 1.00 74.30  ? 61  LYS B CD    1 
ATOM   930  C CE    . LYS B 1 63 ? -33.264 -0.983  -15.505 1.00 84.74  ? 61  LYS B CE    1 
ATOM   931  N NZ    . LYS B 1 63 ? -32.257 -0.986  -14.404 1.00 85.50  ? 61  LYS B NZ    1 
ATOM   932  N N     . ARG B 1 64 ? -27.880 1.254   -17.997 1.00 47.85  ? 62  ARG B N     1 
ATOM   933  C CA    . ARG B 1 64 ? -26.581 0.933   -18.577 1.00 44.98  ? 62  ARG B CA    1 
ATOM   934  C C     . ARG B 1 64 ? -26.748 0.004   -19.772 1.00 48.86  ? 62  ARG B C     1 
ATOM   935  O O     . ARG B 1 64 ? -27.479 -0.986  -19.693 1.00 48.96  ? 62  ARG B O     1 
ATOM   936  C CB    . ARG B 1 64 ? -25.681 0.265   -17.540 1.00 44.63  ? 62  ARG B CB    1 
ATOM   937  C CG    . ARG B 1 64 ? -25.165 1.194   -16.461 1.00 43.68  ? 62  ARG B CG    1 
ATOM   938  C CD    . ARG B 1 64 ? -24.386 0.415   -15.409 1.00 44.61  ? 62  ARG B CD    1 
ATOM   939  N NE    . ARG B 1 64 ? -25.244 0.033   -14.297 1.00 81.65  ? 62  ARG B NE    1 
ATOM   940  C CZ    . ARG B 1 64 ? -25.407 0.767   -13.200 1.00 84.33  ? 62  ARG B CZ    1 
ATOM   941  N NH1   . ARG B 1 64 ? -24.755 1.914   -13.069 1.00 82.95  ? 62  ARG B NH1   1 
ATOM   942  N NH2   . ARG B 1 64 ? -26.215 0.355   -12.232 1.00 86.65  ? 62  ARG B NH2   1 
ATOM   943  N N     . PRO B 1 65 ? -26.080 0.327   -20.890 1.00 48.02  ? 63  PRO B N     1 
ATOM   944  C CA    . PRO B 1 65 ? -26.107 -0.574  -22.047 1.00 47.71  ? 63  PRO B CA    1 
ATOM   945  C C     . PRO B 1 65 ? -25.575 -1.949  -21.684 1.00 45.66  ? 63  PRO B C     1 
ATOM   946  O O     . PRO B 1 65 ? -24.626 -2.042  -20.912 1.00 44.06  ? 63  PRO B O     1 
ATOM   947  C CB    . PRO B 1 65 ? -25.165 0.110   -23.038 1.00 45.25  ? 63  PRO B CB    1 
ATOM   948  C CG    . PRO B 1 65 ? -25.297 1.569   -22.707 1.00 44.06  ? 63  PRO B CG    1 
ATOM   949  C CD    . PRO B 1 65 ? -25.428 1.612   -21.203 1.00 41.87  ? 63  PRO B CD    1 
ATOM   950  N N     . VAL B 1 66 ? -26.197 -2.997  -22.223 1.00 36.93  ? 64  VAL B N     1 
ATOM   951  C CA    . VAL B 1 66 ? -25.743 -4.370  -22.027 1.00 42.78  ? 64  VAL B CA    1 
ATOM   952  C C     . VAL B 1 66 ? -25.112 -4.874  -23.325 1.00 43.64  ? 64  VAL B C     1 
ATOM   953  O O     . VAL B 1 66 ? -25.691 -4.706  -24.401 1.00 41.65  ? 64  VAL B O     1 
ATOM   954  C CB    . VAL B 1 66 ? -26.917 -5.287  -21.626 1.00 45.75  ? 64  VAL B CB    1 
ATOM   955  C CG1   . VAL B 1 66 ? -26.492 -6.738  -21.640 1.00 46.04  ? 64  VAL B CG1   1 
ATOM   956  C CG2   . VAL B 1 66 ? -27.444 -4.894  -20.259 1.00 48.38  ? 64  VAL B CG2   1 
ATOM   957  N N     . TRP B 1 67 ? -23.931 -5.485  -23.223 1.00 41.10  ? 65  TRP B N     1 
ATOM   958  C CA    . TRP B 1 67 ? -23.143 -5.837  -24.401 1.00 41.31  ? 65  TRP B CA    1 
ATOM   959  C C     . TRP B 1 67 ? -22.959 -7.331  -24.576 1.00 40.83  ? 65  TRP B C     1 
ATOM   960  O O     . TRP B 1 67 ? -22.880 -8.070  -23.600 1.00 47.85  ? 65  TRP B O     1 
ATOM   961  C CB    . TRP B 1 67 ? -21.752 -5.211  -24.314 1.00 37.54  ? 65  TRP B CB    1 
ATOM   962  C CG    . TRP B 1 67 ? -21.757 -3.730  -24.290 1.00 35.21  ? 65  TRP B CG    1 
ATOM   963  C CD1   . TRP B 1 67 ? -21.880 -2.926  -23.190 1.00 35.79  ? 65  TRP B CD1   1 
ATOM   964  C CD2   . TRP B 1 67 ? -21.626 -2.858  -25.415 1.00 34.85  ? 65  TRP B CD2   1 
ATOM   965  N NE1   . TRP B 1 67 ? -21.843 -1.605  -23.567 1.00 39.49  ? 65  TRP B NE1   1 
ATOM   966  C CE2   . TRP B 1 67 ? -21.694 -1.537  -24.931 1.00 35.06  ? 65  TRP B CE2   1 
ATOM   967  C CE3   . TRP B 1 67 ? -21.476 -3.068  -26.795 1.00 37.94  ? 65  TRP B CE3   1 
ATOM   968  C CZ2   . TRP B 1 67 ? -21.592 -0.427  -25.766 1.00 37.15  ? 65  TRP B CZ2   1 
ATOM   969  C CZ3   . TRP B 1 67 ? -21.388 -1.958  -27.628 1.00 33.34  ? 65  TRP B CZ3   1 
ATOM   970  C CH2   . TRP B 1 67 ? -21.445 -0.658  -27.107 1.00 38.15  ? 65  TRP B CH2   1 
ATOM   971  N N     . ASN B 1 68 ? -22.859 -7.765  -25.829 1.00 40.60  ? 66  ASN B N     1 
ATOM   972  C CA    . ASN B 1 68 ? -22.510 -9.146  -26.137 1.00 42.81  ? 66  ASN B CA    1 
ATOM   973  C C     . ASN B 1 68 ? -21.860 -9.253  -27.509 1.00 41.74  ? 66  ASN B C     1 
ATOM   974  O O     . ASN B 1 68 ? -21.976 -8.352  -28.344 1.00 39.83  ? 66  ASN B O     1 
ATOM   975  C CB    . ASN B 1 68 ? -23.743 -10.050 -26.055 1.00 45.65  ? 66  ASN B CB    1 
ATOM   976  C CG    . ASN B 1 68 ? -23.397 -11.495 -25.706 1.00 53.82  ? 66  ASN B CG    1 
ATOM   977  O OD1   . ASN B 1 68 ? -22.270 -11.957 -25.915 1.00 50.36  ? 66  ASN B OD1   1 
ATOM   978  N ND2   . ASN B 1 68 ? -24.379 -12.219 -25.178 1.00 59.21  ? 66  ASN B ND2   1 
ATOM   979  N N     . LEU B 1 69 ? -21.160 -10.354 -27.722 1.00 43.32  ? 67  LEU B N     1 
ATOM   980  C CA    . LEU B 1 69 ? -20.566 -10.675 -29.007 1.00 42.88  ? 67  LEU B CA    1 
ATOM   981  C C     . LEU B 1 69 ? -21.662 -10.868 -30.057 1.00 54.84  ? 67  LEU B C     1 
ATOM   982  O O     . LEU B 1 69 ? -22.722 -11.418 -29.759 1.00 45.85  ? 67  LEU B O     1 
ATOM   983  C CB    . LEU B 1 69 ? -19.779 -11.987 -28.874 1.00 45.93  ? 67  LEU B CB    1 
ATOM   984  C CG    . LEU B 1 69 ? -18.249 -12.008 -28.941 1.00 51.72  ? 67  LEU B CG    1 
ATOM   985  C CD1   . LEU B 1 69 ? -17.626 -10.800 -28.295 1.00 45.20  ? 67  LEU B CD1   1 
ATOM   986  C CD2   . LEU B 1 69 ? -17.728 -13.284 -28.286 1.00 50.10  ? 67  LEU B CD2   1 
ATOM   987  N N     . VAL B 1 70 ? -21.397 -10.429 -31.283 1.00 45.23  ? 68  VAL B N     1 
ATOM   988  C CA    . VAL B 1 70 ? -22.293 -10.697 -32.408 1.00 43.99  ? 68  VAL B CA    1 
ATOM   989  C C     . VAL B 1 70 ? -22.343 -12.198 -32.724 1.00 53.61  ? 68  VAL B C     1 
ATOM   990  O O     . VAL B 1 70 ? -23.415 -12.761 -32.980 1.00 53.15  ? 68  VAL B O     1 
ATOM   991  C CB    . VAL B 1 70 ? -21.872 -9.875  -33.654 1.00 48.66  ? 68  VAL B CB    1 
ATOM   992  C CG1   . VAL B 1 70 ? -22.657 -10.288 -34.879 1.00 49.27  ? 68  VAL B CG1   1 
ATOM   993  C CG2   . VAL B 1 70 ? -22.051 -8.381  -33.382 1.00 46.63  ? 68  VAL B CG2   1 
ATOM   994  N N     . GLU B 1 71 ? -21.182 -12.847 -32.684 1.00 58.72  ? 69  GLU B N     1 
ATOM   995  C CA    . GLU B 1 71 ? -21.096 -14.291 -32.901 1.00 67.25  ? 69  GLU B CA    1 
ATOM   996  C C     . GLU B 1 71 ? -21.737 -15.087 -31.757 1.00 75.92  ? 69  GLU B C     1 
ATOM   997  O O     . GLU B 1 71 ? -21.067 -15.524 -30.815 1.00 73.93  ? 69  GLU B O     1 
ATOM   998  C CB    . GLU B 1 71 ? -19.639 -14.722 -33.111 1.00 68.64  ? 69  GLU B CB    1 
ATOM   999  C CG    . GLU B 1 71 ? -18.663 -14.216 -32.046 1.00 61.42  ? 69  GLU B CG    1 
ATOM   1000 O "O3'" . DT  C 2 1  ? -19.082 7.847   4.567   1.00 50.36  ? 0   DT  C "O3'" 1 
ATOM   1001 P P     . DC  C 2 2  ? -19.640 9.194   3.895   1.00 51.70  ? 1   DC  C P     1 
ATOM   1002 O OP1   . DC  C 2 2  ? -18.607 9.767   3.012   1.00 53.39  ? 1   DC  C OP1   1 
ATOM   1003 O OP2   . DC  C 2 2  ? -20.263 9.982   4.986   1.00 57.21  ? 1   DC  C OP2   1 
ATOM   1004 O "O5'" . DC  C 2 2  ? -20.823 8.690   2.952   1.00 47.12  ? 1   DC  C "O5'" 1 
ATOM   1005 C "C5'" . DC  C 2 2  ? -21.508 9.601   2.105   1.00 42.89  ? 1   DC  C "C5'" 1 
ATOM   1006 C "C4'" . DC  C 2 2  ? -22.593 8.871   1.331   1.00 40.45  ? 1   DC  C "C4'" 1 
ATOM   1007 O "O4'" . DC  C 2 2  ? -21.989 7.927   0.409   1.00 40.21  ? 1   DC  C "O4'" 1 
ATOM   1008 C "C3'" . DC  C 2 2  ? -23.561 8.062   2.186   1.00 41.33  ? 1   DC  C "C3'" 1 
ATOM   1009 O "O3'" . DC  C 2 2  ? -24.844 8.127   1.601   1.00 40.03  ? 1   DC  C "O3'" 1 
ATOM   1010 C "C2'" . DC  C 2 2  ? -23.001 6.645   2.075   1.00 43.85  ? 1   DC  C "C2'" 1 
ATOM   1011 C "C1'" . DC  C 2 2  ? -22.491 6.629   0.635   1.00 38.49  ? 1   DC  C "C1'" 1 
ATOM   1012 N N1    . DC  C 2 2  ? -21.407 5.608   0.409   1.00 35.40  ? 1   DC  C N1    1 
ATOM   1013 C C2    . DC  C 2 2  ? -21.763 4.360   -0.117  1.00 35.89  ? 1   DC  C C2    1 
ATOM   1014 O O2    . DC  C 2 2  ? -22.954 4.163   -0.385  1.00 36.91  ? 1   DC  C O2    1 
ATOM   1015 N N3    . DC  C 2 2  ? -20.801 3.422   -0.315  1.00 35.24  ? 1   DC  C N3    1 
ATOM   1016 C C4    . DC  C 2 2  ? -19.528 3.692   -0.009  1.00 38.05  ? 1   DC  C C4    1 
ATOM   1017 N N4    . DC  C 2 2  ? -18.613 2.736   -0.214  1.00 38.98  ? 1   DC  C N4    1 
ATOM   1018 C C5    . DC  C 2 2  ? -19.142 4.956   0.536   1.00 35.21  ? 1   DC  C C5    1 
ATOM   1019 C C6    . DC  C 2 2  ? -20.104 5.874   0.717   1.00 33.38  ? 1   DC  C C6    1 
ATOM   1020 P P     . DG  C 2 3  ? -25.951 9.159   2.144   1.00 41.38  ? 2   DG  C P     1 
ATOM   1021 O OP1   . DG  C 2 3  ? -25.779 9.419   3.586   1.00 46.16  ? 2   DG  C OP1   1 
ATOM   1022 O OP2   . DG  C 2 3  ? -27.236 8.634   1.633   1.00 41.33  ? 2   DG  C OP2   1 
ATOM   1023 O "O5'" . DG  C 2 3  ? -25.621 10.516  1.368   1.00 34.95  ? 2   DG  C "O5'" 1 
ATOM   1024 C "C5'" . DG  C 2 3  ? -25.662 10.510  -0.062  1.00 31.81  ? 2   DG  C "C5'" 1 
ATOM   1025 C "C4'" . DG  C 2 3  ? -25.082 11.813  -0.583  1.00 34.20  ? 2   DG  C "C4'" 1 
ATOM   1026 O "O4'" . DG  C 2 3  ? -23.700 11.925  -0.152  1.00 33.53  ? 2   DG  C "O4'" 1 
ATOM   1027 C "C3'" . DG  C 2 3  ? -25.064 11.932  -2.101  1.00 34.00  ? 2   DG  C "C3'" 1 
ATOM   1028 O "O3'" . DG  C 2 3  ? -26.247 12.604  -2.539  1.00 37.35  ? 2   DG  C "O3'" 1 
ATOM   1029 C "C2'" . DG  C 2 3  ? -23.837 12.777  -2.388  1.00 33.37  ? 2   DG  C "C2'" 1 
ATOM   1030 C "C1'" . DG  C 2 3  ? -22.936 12.540  -1.178  1.00 34.11  ? 2   DG  C "C1'" 1 
ATOM   1031 N N9    . DG  C 2 3  ? -21.789 11.666  -1.366  1.00 33.24  ? 2   DG  C N9    1 
ATOM   1032 C C8    . DG  C 2 3  ? -20.491 12.011  -1.065  1.00 34.45  ? 2   DG  C C8    1 
ATOM   1033 N N7    . DG  C 2 3  ? -19.648 11.044  -1.296  1.00 34.90  ? 2   DG  C N7    1 
ATOM   1034 C C5    . DG  C 2 3  ? -20.428 9.990   -1.751  1.00 32.01  ? 2   DG  C C5    1 
ATOM   1035 C C6    . DG  C 2 3  ? -20.048 8.683   -2.140  1.00 38.09  ? 2   DG  C C6    1 
ATOM   1036 O O6    . DG  C 2 3  ? -18.911 8.198   -2.145  1.00 38.85  ? 2   DG  C O6    1 
ATOM   1037 N N1    . DG  C 2 3  ? -21.135 7.918   -2.542  1.00 31.40  ? 2   DG  C N1    1 
ATOM   1038 C C2    . DG  C 2 3  ? -22.434 8.369   -2.552  1.00 34.48  ? 2   DG  C C2    1 
ATOM   1039 N N2    . DG  C 2 3  ? -23.370 7.502   -2.972  1.00 30.57  ? 2   DG  C N2    1 
ATOM   1040 N N3    . DG  C 2 3  ? -22.795 9.591   -2.194  1.00 29.80  ? 2   DG  C N3    1 
ATOM   1041 C C4    . DG  C 2 3  ? -21.756 10.352  -1.798  1.00 28.58  ? 2   DG  C C4    1 
ATOM   1042 P P     . DC  C 2 4  ? -27.219 11.910  -3.602  1.00 34.76  ? 3   DC  C P     1 
ATOM   1043 O OP1   . DC  C 2 4  ? -28.370 12.810  -3.863  1.00 32.64  ? 3   DC  C OP1   1 
ATOM   1044 O OP2   . DC  C 2 4  ? -27.482 10.536  -3.130  1.00 38.19  ? 3   DC  C OP2   1 
ATOM   1045 O "O5'" . DC  C 2 4  ? -26.321 11.827  -4.922  1.00 29.55  ? 3   DC  C "O5'" 1 
ATOM   1046 C "C5'" . DC  C 2 4  ? -26.927 11.604  -6.199  1.00 34.84  ? 3   DC  C "C5'" 1 
ATOM   1047 C "C4'" . DC  C 2 4  ? -26.322 10.413  -6.925  1.00 32.63  ? 3   DC  C "C4'" 1 
ATOM   1048 O "O4'" . DC  C 2 4  ? -24.883 10.603  -7.094  1.00 31.31  ? 3   DC  C "O4'" 1 
ATOM   1049 C "C3'" . DC  C 2 4  ? -26.494 9.062   -6.236  1.00 30.01  ? 3   DC  C "C3'" 1 
ATOM   1050 O "O3'" . DC  C 2 4  ? -26.659 8.059   -7.221  1.00 35.17  ? 3   DC  C "O3'" 1 
ATOM   1051 C "C2'" . DC  C 2 4  ? -25.133 8.870   -5.583  1.00 27.50  ? 3   DC  C "C2'" 1 
ATOM   1052 C "C1'" . DC  C 2 4  ? -24.247 9.402   -6.702  1.00 26.13  ? 3   DC  C "C1'" 1 
ATOM   1053 N N1    . DC  C 2 4  ? -22.890 9.699   -6.222  1.00 29.24  ? 3   DC  C N1    1 
ATOM   1054 C C2    . DC  C 2 4  ? -21.924 8.707   -6.278  1.00 27.85  ? 3   DC  C C2    1 
ATOM   1055 O O2    . DC  C 2 4  ? -22.257 7.619   -6.755  1.00 29.89  ? 3   DC  C O2    1 
ATOM   1056 N N3    . DC  C 2 4  ? -20.664 8.982   -5.827  1.00 31.07  ? 3   DC  C N3    1 
ATOM   1057 C C4    . DC  C 2 4  ? -20.392 10.197  -5.320  1.00 29.93  ? 3   DC  C C4    1 
ATOM   1058 N N4    . DC  C 2 4  ? -19.153 10.450  -4.868  1.00 31.21  ? 3   DC  C N4    1 
ATOM   1059 C C5    . DC  C 2 4  ? -21.384 11.219  -5.251  1.00 29.90  ? 3   DC  C C5    1 
ATOM   1060 C C6    . DC  C 2 4  ? -22.604 10.929  -5.708  1.00 31.32  ? 3   DC  C C6    1 
ATOM   1061 P P     . DG  C 2 5  ? -28.116 7.451   -7.541  1.00 33.58  ? 4   DG  C P     1 
ATOM   1062 O OP1   . DG  C 2 5  ? -28.919 7.392   -6.298  1.00 33.32  ? 4   DG  C OP1   1 
ATOM   1063 O OP2   . DG  C 2 5  ? -27.838 6.236   -8.347  1.00 35.86  ? 4   DG  C OP2   1 
ATOM   1064 O "O5'" . DG  C 2 5  ? -28.775 8.520   -8.516  1.00 31.52  ? 4   DG  C "O5'" 1 
ATOM   1065 C "C5'" . DG  C 2 5  ? -28.184 8.737   -9.806  1.00 31.94  ? 4   DG  C "C5'" 1 
ATOM   1066 C "C4'" . DG  C 2 5  ? -28.799 9.973   -10.435 1.00 36.83  ? 4   DG  C "C4'" 1 
ATOM   1067 O "O4'" . DG  C 2 5  ? -28.588 11.114  -9.570  1.00 34.33  ? 4   DG  C "O4'" 1 
ATOM   1068 C "C3'" . DG  C 2 5  ? -28.255 10.341  -11.807 1.00 31.74  ? 4   DG  C "C3'" 1 
ATOM   1069 O "O3'" . DG  C 2 5  ? -29.176 9.730   -12.671 1.00 35.58  ? 4   DG  C "O3'" 1 
ATOM   1070 C "C2'" . DG  C 2 5  ? -28.342 11.870  -11.828 1.00 33.58  ? 4   DG  C "C2'" 1 
ATOM   1071 C "C1'" . DG  C 2 5  ? -28.339 12.269  -10.349 1.00 33.61  ? 4   DG  C "C1'" 1 
ATOM   1072 N N9    . DG  C 2 5  ? -27.079 12.828  -9.844  1.00 32.86  ? 4   DG  C N9    1 
ATOM   1073 C C8    . DG  C 2 5  ? -26.908 14.094  -9.325  1.00 27.13  ? 4   DG  C C8    1 
ATOM   1074 N N7    . DG  C 2 5  ? -25.685 14.330  -8.932  1.00 33.60  ? 4   DG  C N7    1 
ATOM   1075 C C5    . DG  C 2 5  ? -25.001 13.155  -9.206  1.00 32.06  ? 4   DG  C C5    1 
ATOM   1076 C C6    . DG  C 2 5  ? -23.638 12.826  -8.991  1.00 34.82  ? 4   DG  C C6    1 
ATOM   1077 O O6    . DG  C 2 5  ? -22.726 13.528  -8.510  1.00 32.20  ? 4   DG  C O6    1 
ATOM   1078 N N1    . DG  C 2 5  ? -23.363 11.528  -9.404  1.00 28.24  ? 4   DG  C N1    1 
ATOM   1079 C C2    . DG  C 2 5  ? -24.260 10.654  -9.958  1.00 29.86  ? 4   DG  C C2    1 
ATOM   1080 N N2    . DG  C 2 5  ? -23.766 9.436   -10.281 1.00 27.25  ? 4   DG  C N2    1 
ATOM   1081 N N3    . DG  C 2 5  ? -25.547 10.947  -10.153 1.00 29.93  ? 4   DG  C N3    1 
ATOM   1082 C C4    . DG  C 2 5  ? -25.850 12.212  -9.760  1.00 31.07  ? 4   DG  C C4    1 
ATOM   1083 P P     . DC  C 2 6  ? -28.909 9.577   -14.244 1.00 47.50  ? 5   DC  C P     1 
ATOM   1084 O OP1   . DC  C 2 6  ? -28.916 10.931  -14.851 1.00 48.88  ? 5   DC  C OP1   1 
ATOM   1085 O OP2   . DC  C 2 6  ? -29.870 8.557   -14.719 1.00 47.25  ? 5   DC  C OP2   1 
ATOM   1086 O "O5'" . DC  C 2 6  ? -27.449 8.976   -14.368 1.00 34.57  ? 5   DC  C "O5'" 1 
ATOM   1087 C "C5'" . DC  C 2 6  ? -26.985 8.540   -15.650 1.00 30.25  ? 5   DC  C "C5'" 1 
ATOM   1088 C "C4'" . DC  C 2 6  ? -25.519 8.141   -15.570 1.00 33.66  ? 5   DC  C "C4'" 1 
ATOM   1089 O "O4'" . DC  C 2 6  ? -24.737 9.354   -15.420 1.00 28.80  ? 5   DC  C "O4'" 1 
ATOM   1090 C "C3'" . DC  C 2 6  ? -25.146 7.230   -14.401 1.00 29.64  ? 5   DC  C "C3'" 1 
ATOM   1091 O "O3'" . DC  C 2 6  ? -24.148 6.281   -14.786 1.00 28.70  ? 5   DC  C "O3'" 1 
ATOM   1092 C "C2'" . DC  C 2 6  ? -24.502 8.191   -13.409 1.00 26.83  ? 5   DC  C "C2'" 1 
ATOM   1093 C "C1'" . DC  C 2 6  ? -23.820 9.171   -14.363 1.00 28.86  ? 5   DC  C "C1'" 1 
ATOM   1094 N N1    . DC  C 2 6  ? -23.521 10.484  -13.731 1.00 25.86  ? 5   DC  C N1    1 
ATOM   1095 C C2    . DC  C 2 6  ? -22.220 10.764  -13.297 1.00 29.04  ? 5   DC  C C2    1 
ATOM   1096 O O2    . DC  C 2 6  ? -21.330 9.920   -13.457 1.00 28.24  ? 5   DC  C O2    1 
ATOM   1097 N N3    . DC  C 2 6  ? -21.965 11.958  -12.705 1.00 30.64  ? 5   DC  C N3    1 
ATOM   1098 C C4    . DC  C 2 6  ? -22.943 12.848  -12.560 1.00 27.28  ? 5   DC  C C4    1 
ATOM   1099 N N4    . DC  C 2 6  ? -22.621 14.016  -11.968 1.00 26.37  ? 5   DC  C N4    1 
ATOM   1100 C C5    . DC  C 2 6  ? -24.279 12.579  -12.997 1.00 25.22  ? 5   DC  C C5    1 
ATOM   1101 C C6    . DC  C 2 6  ? -24.528 11.400  -13.575 1.00 26.80  ? 5   DC  C C6    1 
ATOM   1102 P P     . DG  C 2 7  ? -24.537 4.759   -15.118 1.00 30.95  ? 6   DG  C P     1 
ATOM   1103 O OP1   . DG  C 2 7  ? -25.668 4.297   -14.304 1.00 31.72  ? 6   DG  C OP1   1 
ATOM   1104 O OP2   . DG  C 2 7  ? -23.267 3.991   -15.085 1.00 30.88  ? 6   DG  C OP2   1 
ATOM   1105 O "O5'" . DG  C 2 7  ? -25.037 4.836   -16.623 1.00 31.00  ? 6   DG  C "O5'" 1 
ATOM   1106 C "C5'" . DG  C 2 7  ? -24.122 5.260   -17.640 1.00 29.88  ? 6   DG  C "C5'" 1 
ATOM   1107 C "C4'" . DG  C 2 7  ? -24.873 5.531   -18.935 1.00 31.10  ? 6   DG  C "C4'" 1 
ATOM   1108 O "O4'" . DG  C 2 7  ? -25.816 6.604   -18.722 1.00 30.19  ? 6   DG  C "O4'" 1 
ATOM   1109 C "C3'" . DG  C 2 7  ? -24.006 5.974   -20.091 1.00 29.15  ? 6   DG  C "C3'" 1 
ATOM   1110 O "O3'" . DG  C 2 7  ? -23.840 4.875   -20.973 1.00 30.22  ? 6   DG  C "O3'" 1 
ATOM   1111 C "C2'" . DG  C 2 7  ? -24.753 7.105   -20.790 1.00 31.39  ? 6   DG  C "C2'" 1 
ATOM   1112 C "C1'" . DG  C 2 7  ? -25.914 7.437   -19.857 1.00 38.41  ? 6   DG  C "C1'" 1 
ATOM   1113 N N9    . DG  C 2 7  ? -25.924 8.800   -19.322 1.00 31.14  ? 6   DG  C N9    1 
ATOM   1114 C C8    . DG  C 2 7  ? -27.004 9.661   -19.347 1.00 39.27  ? 6   DG  C C8    1 
ATOM   1115 N N7    . DG  C 2 7  ? -26.761 10.811  -18.772 1.00 28.33  ? 6   DG  C N7    1 
ATOM   1116 C C5    . DG  C 2 7  ? -25.447 10.697  -18.333 1.00 28.62  ? 6   DG  C C5    1 
ATOM   1117 C C6    . DG  C 2 7  ? -24.656 11.635  -17.642 1.00 32.75  ? 6   DG  C C6    1 
ATOM   1118 O O6    . DG  C 2 7  ? -24.989 12.776  -17.282 1.00 34.12  ? 6   DG  C O6    1 
ATOM   1119 N N1    . DG  C 2 7  ? -23.383 11.148  -17.382 1.00 28.12  ? 6   DG  C N1    1 
ATOM   1120 C C2    . DG  C 2 7  ? -22.939 9.902   -17.735 1.00 26.49  ? 6   DG  C C2    1 
ATOM   1121 N N2    . DG  C 2 7  ? -21.677 9.590   -17.383 1.00 24.96  ? 6   DG  C N2    1 
ATOM   1122 N N3    . DG  C 2 7  ? -23.678 9.010   -18.378 1.00 29.20  ? 6   DG  C N3    1 
ATOM   1123 C C4    . DG  C 2 7  ? -24.919 9.470   -18.655 1.00 31.17  ? 6   DG  C C4    1 
ATOM   1124 P P     . DC  C 2 8  ? -22.362 4.497   -21.481 1.00 33.55  ? 7   DC  C P     1 
ATOM   1125 O OP1   . DC  C 2 8  ? -22.518 3.580   -22.621 1.00 34.30  ? 7   DC  C OP1   1 
ATOM   1126 O OP2   . DC  C 2 8  ? -21.550 4.096   -20.305 1.00 32.33  ? 7   DC  C OP2   1 
ATOM   1127 O "O5'" . DC  C 2 8  ? -21.771 5.904   -21.958 1.00 25.28  ? 7   DC  C "O5'" 1 
ATOM   1128 C "C5'" . DC  C 2 8  ? -20.624 5.947   -22.792 1.00 27.43  ? 7   DC  C "C5'" 1 
ATOM   1129 C "C4'" . DC  C 2 8  ? -19.719 7.094   -22.369 1.00 24.56  ? 7   DC  C "C4'" 1 
ATOM   1130 O "O4'" . DC  C 2 8  ? -20.405 8.361   -22.582 1.00 33.94  ? 7   DC  C "O4'" 1 
ATOM   1131 C "C3'" . DC  C 2 8  ? -19.282 7.103   -20.899 1.00 31.47  ? 7   DC  C "C3'" 1 
ATOM   1132 O "O3'" . DC  C 2 8  ? -17.949 7.620   -20.787 1.00 27.47  ? 7   DC  C "O3'" 1 
ATOM   1133 C "C2'" . DC  C 2 8  ? -20.245 8.126   -20.302 1.00 26.40  ? 7   DC  C "C2'" 1 
ATOM   1134 C "C1'" . DC  C 2 8  ? -20.252 9.157   -21.426 1.00 26.24  ? 7   DC  C "C1'" 1 
ATOM   1135 N N1    . DC  C 2 8  ? -21.386 10.136  -21.305 1.00 29.05  ? 7   DC  C N1    1 
ATOM   1136 C C2    . DC  C 2 8  ? -21.156 11.349  -20.644 1.00 29.07  ? 7   DC  C C2    1 
ATOM   1137 O O2    . DC  C 2 8  ? -20.028 11.599  -20.200 1.00 25.40  ? 7   DC  C O2    1 
ATOM   1138 N N3    . DC  C 2 8  ? -22.176 12.224  -20.518 1.00 30.63  ? 7   DC  C N3    1 
ATOM   1139 C C4    . DC  C 2 8  ? -23.388 11.936  -21.000 1.00 35.28  ? 7   DC  C C4    1 
ATOM   1140 N N4    . DC  C 2 8  ? -24.345 12.857  -20.832 1.00 28.14  ? 7   DC  C N4    1 
ATOM   1141 C C5    . DC  C 2 8  ? -23.656 10.705  -21.677 1.00 32.90  ? 7   DC  C C5    1 
ATOM   1142 C C6    . DC  C 2 8  ? -22.626 9.847   -21.793 1.00 28.28  ? 7   DC  C C6    1 
ATOM   1143 P P     . DG  C 2 9  ? -16.674 6.648   -20.668 1.00 27.72  ? 8   DG  C P     1 
ATOM   1144 O OP1   . DG  C 2 9  ? -16.925 5.434   -19.852 1.00 27.36  ? 8   DG  C OP1   1 
ATOM   1145 O OP2   . DG  C 2 9  ? -15.563 7.584   -20.348 1.00 26.95  ? 8   DG  C OP2   1 
ATOM   1146 O "O5'" . DG  C 2 9  ? -16.414 6.139   -22.157 1.00 28.92  ? 8   DG  C "O5'" 1 
ATOM   1147 C "C5'" . DG  C 2 9  ? -15.878 7.024   -23.118 1.00 24.88  ? 8   DG  C "C5'" 1 
ATOM   1148 C "C4'" . DG  C 2 9  ? -15.966 6.414   -24.510 1.00 28.03  ? 8   DG  C "C4'" 1 
ATOM   1149 O "O4'" . DG  C 2 9  ? -17.318 5.984   -24.799 1.00 27.50  ? 8   DG  C "O4'" 1 
ATOM   1150 C "C3'" . DG  C 2 9  ? -15.564 7.365   -25.624 1.00 27.33  ? 8   DG  C "C3'" 1 
ATOM   1151 O "O3'" . DG  C 2 9  ? -14.247 6.998   -25.966 1.00 31.39  ? 8   DG  C "O3'" 1 
ATOM   1152 C "C2'" . DG  C 2 9  ? -16.499 7.022   -26.782 1.00 26.30  ? 8   DG  C "C2'" 1 
ATOM   1153 C "C1'" . DG  C 2 9  ? -17.659 6.264   -26.144 1.00 29.88  ? 8   DG  C "C1'" 1 
ATOM   1154 N N9    . DG  C 2 9  ? -18.948 6.972   -26.154 1.00 28.07  ? 8   DG  C N9    1 
ATOM   1155 C C8    . DG  C 2 9  ? -20.118 6.551   -26.745 1.00 29.84  ? 8   DG  C C8    1 
ATOM   1156 N N7    . DG  C 2 9  ? -21.119 7.387   -26.581 1.00 31.48  ? 8   DG  C N7    1 
ATOM   1157 C C5    . DG  C 2 9  ? -20.585 8.438   -25.854 1.00 28.74  ? 8   DG  C C5    1 
ATOM   1158 C C6    . DG  C 2 9  ? -21.198 9.637   -25.396 1.00 30.27  ? 8   DG  C C6    1 
ATOM   1159 O O6    . DG  C 2 9  ? -22.379 10.005  -25.540 1.00 31.83  ? 8   DG  C O6    1 
ATOM   1160 N N1    . DG  C 2 9  ? -20.299 10.434  -24.702 1.00 26.75  ? 8   DG  C N1    1 
ATOM   1161 C C2    . DG  C 2 9  ? -18.984 10.114  -24.477 1.00 30.15  ? 8   DG  C C2    1 
ATOM   1162 N N2    . DG  C 2 9  ? -18.269 11.000  -23.762 1.00 28.65  ? 8   DG  C N2    1 
ATOM   1163 N N3    . DG  C 2 9  ? -18.407 8.988   -24.901 1.00 24.67  ? 8   DG  C N3    1 
ATOM   1164 C C4    . DG  C 2 9  ? -19.254 8.202   -25.587 1.00 28.94  ? 8   DG  C C4    1 
ATOM   1165 P P     . DC  C 2 10 ? -13.093 8.102   -26.112 1.00 31.92  ? 9   DC  C P     1 
ATOM   1166 O OP1   . DC  C 2 10 ? -12.161 7.650   -27.148 1.00 32.13  ? 9   DC  C OP1   1 
ATOM   1167 O OP2   . DC  C 2 10 ? -12.547 8.338   -24.755 1.00 33.85  ? 9   DC  C OP2   1 
ATOM   1168 O "O5'" . DC  C 2 10 ? -13.861 9.397   -26.640 1.00 28.56  ? 9   DC  C "O5'" 1 
ATOM   1169 C "C5'" . DC  C 2 10 ? -13.077 10.462  -27.199 1.00 37.39  ? 9   DC  C "C5'" 1 
ATOM   1170 C "C4'" . DC  C 2 10 ? -13.687 11.821  -26.898 1.00 35.33  ? 9   DC  C "C4'" 1 
ATOM   1171 O "O4'" . DC  C 2 10 ? -14.904 11.948  -27.676 1.00 32.76  ? 9   DC  C "O4'" 1 
ATOM   1172 C "C3'" . DC  C 2 10 ? -14.060 12.053  -25.435 1.00 31.22  ? 9   DC  C "C3'" 1 
ATOM   1173 O "O3'" . DC  C 2 10 ? -13.636 13.339  -24.961 1.00 29.66  ? 9   DC  C "O3'" 1 
ATOM   1174 C "C2'" . DC  C 2 10 ? -15.582 11.974  -25.455 1.00 30.06  ? 9   DC  C "C2'" 1 
ATOM   1175 C "C1'" . DC  C 2 10 ? -15.902 12.494  -26.851 1.00 31.25  ? 9   DC  C "C1'" 1 
ATOM   1176 N N1    . DC  C 2 10 ? -17.231 12.044  -27.318 1.00 35.38  ? 9   DC  C N1    1 
ATOM   1177 C C2    . DC  C 2 10 ? -18.318 12.900  -27.133 1.00 32.02  ? 9   DC  C C2    1 
ATOM   1178 O O2    . DC  C 2 10 ? -18.133 13.997  -26.599 1.00 31.08  ? 9   DC  C O2    1 
ATOM   1179 N N3    . DC  C 2 10 ? -19.546 12.501  -27.525 1.00 31.92  ? 9   DC  C N3    1 
ATOM   1180 C C4    . DC  C 2 10 ? -19.702 11.303  -28.102 1.00 31.59  ? 9   DC  C C4    1 
ATOM   1181 N N4    . DC  C 2 10 ? -20.939 10.970  -28.494 1.00 32.77  ? 9   DC  C N4    1 
ATOM   1182 C C5    . DC  C 2 10 ? -18.599 10.411  -28.303 1.00 31.95  ? 9   DC  C C5    1 
ATOM   1183 C C6    . DC  C 2 10 ? -17.384 10.819  -27.901 1.00 27.96  ? 9   DC  C C6    1 
ATOM   1184 P P     . DG  C 2 11 ? -12.248 13.510  -24.163 1.00 34.44  ? 10  DG  C P     1 
ATOM   1185 O OP1   . DG  C 2 11 ? -11.972 12.324  -23.313 1.00 32.31  ? 10  DG  C OP1   1 
ATOM   1186 O OP2   . DG  C 2 11 ? -12.278 14.894  -23.622 1.00 30.73  ? 10  DG  C OP2   1 
ATOM   1187 O "O5'" . DG  C 2 11 ? -11.139 13.508  -25.314 1.00 32.62  ? 10  DG  C "O5'" 1 
ATOM   1188 C "C5'" . DG  C 2 11 ? -11.208 14.457  -26.372 1.00 27.78  ? 10  DG  C "C5'" 1 
ATOM   1189 C "C4'" . DG  C 2 11 ? -10.244 14.060  -27.475 1.00 29.29  ? 10  DG  C "C4'" 1 
ATOM   1190 O "O4'" . DG  C 2 11 ? -10.605 12.758  -27.993 1.00 32.01  ? 10  DG  C "O4'" 1 
ATOM   1191 C "C3'" . DG  C 2 11 ? -10.234 14.982  -28.686 1.00 32.27  ? 10  DG  C "C3'" 1 
ATOM   1192 O "O3'" . DG  C 2 11 ? -9.233  15.929  -28.403 1.00 39.59  ? 10  DG  C "O3'" 1 
ATOM   1193 C "C2'" . DG  C 2 11 ? -9.878  14.057  -29.851 1.00 28.12  ? 10  DG  C "C2'" 1 
ATOM   1194 C "C1'" . DG  C 2 11 ? -10.235 12.653  -29.358 1.00 33.90  ? 10  DG  C "C1'" 1 
ATOM   1195 N N9    . DG  C 2 11 ? -11.403 12.029  -29.958 1.00 32.35  ? 10  DG  C N9    1 
ATOM   1196 C C8    . DG  C 2 11 ? -11.453 10.778  -30.523 1.00 34.84  ? 10  DG  C C8    1 
ATOM   1197 N N7    . DG  C 2 11 ? -12.647 10.463  -30.950 1.00 33.79  ? 10  DG  C N7    1 
ATOM   1198 C C5    . DG  C 2 11 ? -13.429 11.566  -30.643 1.00 29.37  ? 10  DG  C C5    1 
ATOM   1199 C C6    . DG  C 2 11 ? -14.807 11.783  -30.875 1.00 31.78  ? 10  DG  C C6    1 
ATOM   1200 O O6    . DG  C 2 11 ? -15.617 11.015  -31.416 1.00 33.25  ? 10  DG  C O6    1 
ATOM   1201 N N1    . DG  C 2 11 ? -15.226 13.031  -30.417 1.00 30.15  ? 10  DG  C N1    1 
ATOM   1202 C C2    . DG  C 2 11 ? -14.413 13.956  -29.809 1.00 33.81  ? 10  DG  C C2    1 
ATOM   1203 N N2    . DG  C 2 11 ? -15.013 15.098  -29.437 1.00 31.64  ? 10  DG  C N2    1 
ATOM   1204 N N3    . DG  C 2 11 ? -13.118 13.768  -29.584 1.00 30.82  ? 10  DG  C N3    1 
ATOM   1205 C C4    . DG  C 2 11 ? -12.687 12.547  -30.026 1.00 29.76  ? 10  DG  C C4    1 
ATOM   1206 P P     . DC  C 2 12 ? -8.818  17.057  -29.468 1.00 48.20  ? 11  DC  C P     1 
ATOM   1207 O OP1   . DC  C 2 12 ? -8.169  16.419  -30.634 1.00 46.95  ? 11  DC  C OP1   1 
ATOM   1208 O OP2   . DC  C 2 12 ? -8.109  18.095  -28.683 1.00 51.26  ? 11  DC  C OP2   1 
ATOM   1209 O "O5'" . DC  C 2 12 ? -10.203 17.724  -29.910 1.00 39.35  ? 11  DC  C "O5'" 1 
ATOM   1210 C "C5'" . DC  C 2 12 ? -10.182 19.041  -30.421 1.00 37.30  ? 11  DC  C "C5'" 1 
ATOM   1211 C "C4'" . DC  C 2 12 ? -11.530 19.415  -31.014 1.00 40.67  ? 11  DC  C "C4'" 1 
ATOM   1212 O "O4'" . DC  C 2 12 ? -11.879 18.464  -32.055 1.00 40.80  ? 11  DC  C "O4'" 1 
ATOM   1213 C "C3'" . DC  C 2 12 ? -12.684 19.390  -30.017 1.00 40.75  ? 11  DC  C "C3'" 1 
ATOM   1214 O "O3'" . DC  C 2 12 ? -13.614 20.390  -30.360 1.00 42.69  ? 11  DC  C "O3'" 1 
ATOM   1215 C "C2'" . DC  C 2 12 ? -13.283 18.012  -30.262 1.00 38.58  ? 11  DC  C "C2'" 1 
ATOM   1216 C "C1'" . DC  C 2 12 ? -13.169 17.974  -31.779 1.00 39.27  ? 11  DC  C "C1'" 1 
ATOM   1217 N N1    . DC  C 2 12 ? -13.309 16.612  -32.331 1.00 34.70  ? 11  DC  C N1    1 
ATOM   1218 C C2    . DC  C 2 12 ? -14.569 16.205  -32.770 1.00 34.74  ? 11  DC  C C2    1 
ATOM   1219 O O2    . DC  C 2 12 ? -15.521 17.007  -32.691 1.00 34.75  ? 11  DC  C O2    1 
ATOM   1220 N N3    . DC  C 2 12 ? -14.706 14.953  -33.269 1.00 35.58  ? 11  DC  C N3    1 
ATOM   1221 C C4    . DC  C 2 12 ? -13.659 14.134  -33.329 1.00 30.01  ? 11  DC  C C4    1 
ATOM   1222 N N4    . DC  C 2 12 ? -13.854 12.910  -33.830 1.00 35.09  ? 11  DC  C N4    1 
ATOM   1223 C C5    . DC  C 2 12 ? -12.363 14.533  -32.871 1.00 29.92  ? 11  DC  C C5    1 
ATOM   1224 C C6    . DC  C 2 12 ? -12.241 15.776  -32.382 1.00 30.92  ? 11  DC  C C6    1 
ATOM   1225 P P     . DG  C 2 13 ? -13.532 21.836  -29.673 1.00 48.85  ? 12  DG  C P     1 
ATOM   1226 O OP1   . DG  C 2 13 ? -13.045 21.631  -28.300 1.00 49.56  ? 12  DG  C OP1   1 
ATOM   1227 O OP2   . DG  C 2 13 ? -14.815 22.523  -29.922 1.00 53.19  ? 12  DG  C OP2   1 
ATOM   1228 O "O5'" . DG  C 2 13 ? -12.377 22.593  -30.490 1.00 46.52  ? 12  DG  C "O5'" 1 
ATOM   1229 C "C5'" . DG  C 2 13 ? -12.526 22.995  -31.845 1.00 48.67  ? 12  DG  C "C5'" 1 
ATOM   1230 C "C4'" . DG  C 2 13 ? -11.180 23.436  -32.409 1.00 54.60  ? 12  DG  C "C4'" 1 
ATOM   1231 O "O4'" . DG  C 2 13 ? -10.167 22.430  -32.130 1.00 55.92  ? 12  DG  C "O4'" 1 
ATOM   1232 C "C3'" . DG  C 2 13 ? -11.144 23.630  -33.919 1.00 57.70  ? 12  DG  C "C3'" 1 
ATOM   1233 O "O3'" . DG  C 2 13 ? -11.489 24.973  -34.273 1.00 61.50  ? 12  DG  C "O3'" 1 
ATOM   1234 C "C2'" . DG  C 2 13 ? -9.697  23.298  -34.291 1.00 51.31  ? 12  DG  C "C2'" 1 
ATOM   1235 C "C1'" . DG  C 2 13 ? -9.229  22.337  -33.197 1.00 50.24  ? 12  DG  C "C1'" 1 
ATOM   1236 N N9    . DG  C 2 13 ? -9.127  20.917  -33.557 1.00 47.96  ? 12  DG  C N9    1 
ATOM   1237 C C8    . DG  C 2 13 ? -8.033  20.097  -33.419 1.00 42.24  ? 12  DG  C C8    1 
ATOM   1238 N N7    . DG  C 2 13 ? -8.249  18.864  -33.797 1.00 42.17  ? 12  DG  C N7    1 
ATOM   1239 C C5    . DG  C 2 13 ? -9.573  18.866  -34.210 1.00 36.20  ? 12  DG  C C5    1 
ATOM   1240 C C6    . DG  C 2 13 ? -10.372 17.817  -34.732 1.00 40.04  ? 12  DG  C C6    1 
ATOM   1241 O O6    . DG  C 2 13 ? -10.038 16.644  -34.934 1.00 36.88  ? 12  DG  C O6    1 
ATOM   1242 N N1    . DG  C 2 13 ? -11.668 18.248  -35.035 1.00 39.82  ? 12  DG  C N1    1 
ATOM   1243 C C2    . DG  C 2 13 ? -12.123 19.531  -34.850 1.00 41.65  ? 12  DG  C C2    1 
ATOM   1244 N N2    . DG  C 2 13 ? -13.403 19.792  -35.185 1.00 40.66  ? 12  DG  C N2    1 
ATOM   1245 N N3    . DG  C 2 13 ? -11.375 20.516  -34.371 1.00 41.64  ? 12  DG  C N3    1 
ATOM   1246 C C4    . DG  C 2 13 ? -10.119 20.118  -34.078 1.00 37.83  ? 12  DG  C C4    1 
HETATM 1247 C C     . ACT D 3 .  ? -37.665 2.120   -12.647 1.00 69.15  ? 101 ACT A C     1 
HETATM 1248 O O     . ACT D 3 .  ? -37.509 0.897   -12.854 1.00 75.42  ? 101 ACT A O     1 
HETATM 1249 O OXT   . ACT D 3 .  ? -37.379 2.511   -11.496 1.00 64.95  ? 101 ACT A OXT   1 
HETATM 1250 C CH3   . ACT D 3 .  ? -38.163 3.058   -13.709 1.00 68.34  ? 101 ACT A CH3   1 
HETATM 1251 C C     . ACT E 3 .  ? -42.086 18.513  6.981   1.00 63.92  ? 102 ACT A C     1 
HETATM 1252 O O     . ACT E 3 .  ? -42.327 19.367  6.100   1.00 65.26  ? 102 ACT A O     1 
HETATM 1253 O OXT   . ACT E 3 .  ? -42.623 17.399  6.825   1.00 73.73  ? 102 ACT A OXT   1 
HETATM 1254 C CH3   . ACT E 3 .  ? -41.209 18.801  8.158   1.00 61.68  ? 102 ACT A CH3   1 
HETATM 1255 C C     . ACT F 3 .  ? -28.964 -0.490  -14.689 1.00 58.44  ? 101 ACT B C     1 
HETATM 1256 O O     . ACT F 3 .  ? -29.897 -1.253  -15.021 1.00 71.98  ? 101 ACT B O     1 
HETATM 1257 O OXT   . ACT F 3 .  ? -27.903 -1.046  -14.357 1.00 60.66  ? 101 ACT B OXT   1 
HETATM 1258 C CH3   . ACT F 3 .  ? -29.103 0.998   -14.690 1.00 52.23  ? 101 ACT B CH3   1 
HETATM 1259 O O     . HOH G 4 .  ? -31.906 11.287  -0.040  1.00 43.74  ? 201 HOH A O     1 
HETATM 1260 O O     . HOH G 4 .  ? -30.243 19.783  -10.260 1.00 40.04  ? 202 HOH A O     1 
HETATM 1261 O O     . HOH G 4 .  ? -27.308 19.777  -6.534  1.00 46.89  ? 203 HOH A O     1 
HETATM 1262 O O     . HOH G 4 .  ? -31.255 14.739  -13.211 1.00 32.61  ? 204 HOH A O     1 
HETATM 1263 O O     . HOH G 4 .  ? -31.988 22.427  -3.537  1.00 50.16  ? 205 HOH A O     1 
HETATM 1264 O O     . HOH G 4 .  ? -47.279 9.805   -5.279  1.00 46.11  ? 206 HOH A O     1 
HETATM 1265 O O     . HOH G 4 .  ? -30.837 2.624   -8.138  1.00 38.06  ? 207 HOH A O     1 
HETATM 1266 O O     . HOH G 4 .  ? -24.830 16.323  -5.173  1.00 56.00  ? 208 HOH A O     1 
HETATM 1267 O O     . HOH G 4 .  ? -32.404 4.819   -13.642 1.00 46.85  ? 209 HOH A O     1 
HETATM 1268 O O     . HOH G 4 .  ? -48.312 15.529  -8.165  1.00 45.22  ? 210 HOH A O     1 
HETATM 1269 O O     . HOH G 4 .  ? -30.392 3.559   -0.305  1.00 51.37  ? 211 HOH A O     1 
HETATM 1270 O O     . HOH G 4 .  ? -35.639 19.900  1.412   1.00 37.02  ? 212 HOH A O     1 
HETATM 1271 O O     . HOH G 4 .  ? -28.554 15.328  -11.976 1.00 42.17  ? 213 HOH A O     1 
HETATM 1272 O O     . HOH G 4 .  ? -32.474 24.556  -5.409  1.00 57.74  ? 214 HOH A O     1 
HETATM 1273 O O     . HOH G 4 .  ? -28.161 18.007  -11.232 1.00 60.00  ? 215 HOH A O     1 
HETATM 1274 O O     . HOH G 4 .  ? -50.569 15.592  -4.342  1.00 45.58  ? 216 HOH A O     1 
HETATM 1275 O O     . HOH G 4 .  ? -37.387 15.851  -16.197 1.00 60.80  ? 217 HOH A O     1 
HETATM 1276 O O     . HOH G 4 .  ? -32.939 1.119   -5.963  1.00 57.66  ? 218 HOH A O     1 
HETATM 1277 O O     . HOH G 4 .  ? -34.120 7.203   4.920   1.00 50.16  ? 219 HOH A O     1 
HETATM 1278 O O     . HOH G 4 .  ? -36.508 20.890  3.947   1.00 52.58  ? 220 HOH A O     1 
HETATM 1279 O O     . HOH G 4 .  ? -42.576 17.819  -13.900 1.00 64.08  ? 221 HOH A O     1 
HETATM 1280 O O     . HOH G 4 .  ? -47.885 7.318   -6.362  1.00 53.36  ? 222 HOH A O     1 
HETATM 1281 O O     . HOH G 4 .  ? -29.809 2.449   -12.000 1.00 66.29  ? 223 HOH A O     1 
HETATM 1282 O O     . HOH G 4 .  ? -37.561 7.884   -16.011 1.00 49.20  ? 224 HOH A O     1 
HETATM 1283 O O     . HOH G 4 .  ? -37.491 16.670  9.431   1.00 64.97  ? 225 HOH A O     1 
HETATM 1284 O O     . HOH G 4 .  ? -36.708 13.209  6.929   1.00 62.74  ? 226 HOH A O     1 
HETATM 1285 O O     . HOH H 4 .  ? -21.367 1.117   -22.088 1.00 28.25  ? 201 HOH B O     1 
HETATM 1286 O O     . HOH H 4 .  ? -22.415 -0.479  -20.123 1.00 31.87  ? 202 HOH B O     1 
HETATM 1287 O O     . HOH H 4 .  ? -7.283  1.268   -18.888 1.00 36.94  ? 203 HOH B O     1 
HETATM 1288 O O     . HOH H 4 .  ? -10.993 8.472   -19.746 1.00 33.38  ? 204 HOH B O     1 
HETATM 1289 O O     . HOH H 4 .  ? -12.619 3.496   -14.542 1.00 29.63  ? 205 HOH B O     1 
HETATM 1290 O O     . HOH H 4 .  ? -25.400 -2.399  -31.025 1.00 43.58  ? 206 HOH B O     1 
HETATM 1291 O O     . HOH H 4 .  ? -14.912 4.457   -29.422 1.00 35.63  ? 207 HOH B O     1 
HETATM 1292 O O     . HOH H 4 .  ? -20.352 2.488   -32.004 1.00 46.38  ? 208 HOH B O     1 
HETATM 1293 O O     . HOH H 4 .  ? -22.959 -3.908  -33.746 1.00 53.74  ? 209 HOH B O     1 
HETATM 1294 O O     . HOH H 4 .  ? -10.458 -11.656 -21.063 1.00 41.36  ? 210 HOH B O     1 
HETATM 1295 O O     . HOH H 4 .  ? -17.188 8.754   -16.773 1.00 45.06  ? 211 HOH B O     1 
HETATM 1296 O O     . HOH H 4 .  ? -5.335  0.299   -20.721 1.00 57.30  ? 212 HOH B O     1 
HETATM 1297 O O     . HOH H 4 .  ? -16.511 4.279   -31.843 1.00 53.26  ? 213 HOH B O     1 
HETATM 1298 O O     . HOH H 4 .  ? -5.470  -4.800  -16.919 1.00 44.35  ? 214 HOH B O     1 
HETATM 1299 O O     . HOH H 4 .  ? -20.391 6.998   -17.130 1.00 42.70  ? 215 HOH B O     1 
HETATM 1300 O O     . HOH H 4 .  ? -10.544 -0.985  -12.973 1.00 50.22  ? 216 HOH B O     1 
HETATM 1301 O O     . HOH H 4 .  ? -10.836 -12.759 -27.855 1.00 42.19  ? 217 HOH B O     1 
HETATM 1302 O O     . HOH H 4 .  ? -30.797 -3.813  -22.164 1.00 51.98  ? 218 HOH B O     1 
HETATM 1303 O O     . HOH H 4 .  ? -8.316  -10.982 -19.622 1.00 45.08  ? 219 HOH B O     1 
HETATM 1304 O O     . HOH H 4 .  ? -29.928 -1.836  -20.567 1.00 46.37  ? 220 HOH B O     1 
HETATM 1305 O O     . HOH H 4 .  ? -28.325 -2.572  -17.477 1.00 44.76  ? 221 HOH B O     1 
HETATM 1306 O O     . HOH H 4 .  ? -28.515 4.586   -20.597 1.00 51.61  ? 222 HOH B O     1 
HETATM 1307 O O     . HOH H 4 .  ? -16.805 -8.200  -12.933 1.00 50.38  ? 223 HOH B O     1 
HETATM 1308 O O     . HOH H 4 .  ? -25.995 -13.780 -22.313 1.00 57.65  ? 224 HOH B O     1 
HETATM 1309 O O     . HOH H 4 .  ? -5.570  3.115   -14.663 1.00 59.08  ? 225 HOH B O     1 
HETATM 1310 O O     . HOH H 4 .  ? -27.669 2.786   -10.758 1.00 51.22  ? 226 HOH B O     1 
HETATM 1311 O O     . HOH H 4 .  ? -29.670 -3.493  -30.202 1.00 51.08  ? 227 HOH B O     1 
HETATM 1312 O O     . HOH H 4 .  ? -10.648 1.424   -12.561 1.00 52.70  ? 228 HOH B O     1 
HETATM 1313 O O     . HOH H 4 .  ? -12.021 -2.155  -10.959 1.00 56.84  ? 229 HOH B O     1 
HETATM 1314 O O     . HOH H 4 .  ? -7.266  2.729   -26.416 1.00 47.17  ? 230 HOH B O     1 
HETATM 1315 O O     . HOH H 4 .  ? -28.675 7.511   -22.086 1.00 60.78  ? 231 HOH B O     1 
HETATM 1316 O O     . HOH H 4 .  ? -18.638 -11.266 -32.870 1.00 54.77  ? 232 HOH B O     1 
HETATM 1317 O O     . HOH I 4 .  ? -30.810 12.461  -2.969  1.00 31.92  ? 101 HOH C O     1 
HETATM 1318 O O     . HOH I 4 .  ? -20.527 4.913   -18.116 1.00 36.35  ? 102 HOH C O     1 
HETATM 1319 O O     . HOH I 4 .  ? -21.646 2.504   -16.536 1.00 32.65  ? 103 HOH C O     1 
HETATM 1320 O O     . HOH I 4 .  ? -13.155 9.980   -22.546 1.00 30.18  ? 104 HOH C O     1 
HETATM 1321 O O     . HOH I 4 .  ? -15.717 10.767  -22.298 1.00 33.75  ? 105 HOH C O     1 
HETATM 1322 O O     . HOH I 4 .  ? -10.328 10.342  -24.212 1.00 35.28  ? 106 HOH C O     1 
HETATM 1323 O O     . HOH I 4 .  ? -15.802 8.470   -29.733 1.00 36.47  ? 107 HOH C O     1 
HETATM 1324 O O     . HOH I 4 .  ? -21.060 8.456   -29.992 1.00 38.51  ? 108 HOH C O     1 
HETATM 1325 O O     . HOH I 4 .  ? -13.475 6.872   -29.429 1.00 38.64  ? 109 HOH C O     1 
HETATM 1326 O O     . HOH I 4 .  ? -27.119 12.793  -15.354 1.00 36.37  ? 110 HOH C O     1 
HETATM 1327 O O     . HOH I 4 .  ? -24.648 15.985  -11.941 1.00 37.08  ? 111 HOH C O     1 
HETATM 1328 O O     . HOH I 4 .  ? -18.785 13.063  -4.081  1.00 40.39  ? 112 HOH C O     1 
HETATM 1329 O O     . HOH I 4 .  ? -21.268 15.912  -8.819  1.00 42.69  ? 113 HOH C O     1 
HETATM 1330 O O     . HOH I 4 .  ? -26.819 11.962  -22.205 1.00 39.43  ? 114 HOH C O     1 
HETATM 1331 O O     . HOH I 4 .  ? -20.289 7.646   -14.397 1.00 30.07  ? 115 HOH C O     1 
HETATM 1332 O O     . HOH I 4 .  ? -16.522 16.035  -25.612 1.00 35.77  ? 116 HOH C O     1 
HETATM 1333 O O     . HOH I 4 .  ? -13.959 17.017  -27.157 1.00 36.38  ? 117 HOH C O     1 
HETATM 1334 O O     . HOH I 4 .  ? -24.870 6.701   -10.419 1.00 33.58  ? 118 HOH C O     1 
HETATM 1335 O O     . HOH I 4 .  ? -26.447 8.081   -2.617  1.00 31.80  ? 119 HOH C O     1 
HETATM 1336 O O     . HOH I 4 .  ? -27.018 6.905   -0.337  1.00 48.46  ? 120 HOH C O     1 
HETATM 1337 O O     . HOH I 4 .  ? -22.721 2.009   -18.794 1.00 33.78  ? 121 HOH C O     1 
HETATM 1338 O O     . HOH I 4 .  ? -15.152 15.740  -23.291 1.00 40.17  ? 122 HOH C O     1 
HETATM 1339 O O     . HOH I 4 .  ? -8.758  10.629  -26.346 1.00 45.18  ? 123 HOH C O     1 
HETATM 1340 O O     . HOH I 4 .  ? -9.980  8.604   -28.089 1.00 38.07  ? 124 HOH C O     1 
HETATM 1341 O O     . HOH I 4 .  ? -30.209 8.200   -17.488 1.00 54.01  ? 125 HOH C O     1 
HETATM 1342 O O     . HOH I 4 .  ? -23.193 14.318  -5.746  1.00 38.04  ? 126 HOH C O     1 
HETATM 1343 O O     . HOH I 4 .  ? -29.638 9.444   -0.068  1.00 49.93  ? 127 HOH C O     1 
HETATM 1344 O O     . HOH I 4 .  ? -21.225 14.711  -4.301  1.00 53.62  ? 128 HOH C O     1 
HETATM 1345 O O     . HOH I 4 .  ? -13.445 9.292   -19.740 1.00 42.36  ? 129 HOH C O     1 
HETATM 1346 O O     . HOH I 4 .  ? -11.353 11.366  -34.330 1.00 49.09  ? 130 HOH C O     1 
HETATM 1347 O O     . HOH I 4 .  ? -15.652 3.610   0.613   1.00 50.39  ? 131 HOH C O     1 
HETATM 1348 O O     . HOH I 4 .  ? -26.179 15.114  -18.231 0.50 42.62  ? 132 HOH C O     1 
HETATM 1349 O O     . HOH I 4 .  ? -18.228 6.857   -29.880 1.00 46.78  ? 133 HOH C O     1 
HETATM 1350 O O     . HOH I 4 .  ? -24.739 16.562  -7.812  1.00 45.00  ? 134 HOH C O     1 
HETATM 1351 O O     . HOH I 4 .  ? -25.165 5.384   -8.182  1.00 46.68  ? 135 HOH C O     1 
HETATM 1352 O O     . HOH I 4 .  ? -14.714 19.499  -27.127 1.00 42.73  ? 136 HOH C O     1 
HETATM 1353 O O     . HOH I 4 .  ? -6.521  17.231  -32.875 1.00 50.99  ? 137 HOH C O     1 
HETATM 1354 O O     . HOH I 4 .  ? -24.011 5.607   -6.104  1.00 42.69  ? 138 HOH C O     1 
HETATM 1355 O O     . HOH I 4 .  ? -26.860 5.249   -11.954 1.00 42.23  ? 139 HOH C O     1 
HETATM 1356 O O     . HOH I 4 .  ? -26.530 15.693  -22.436 1.00 47.56  ? 140 HOH C O     1 
HETATM 1357 O O     . HOH I 4 .  ? -25.554 4.730   -1.087  1.00 54.28  ? 141 HOH C O     1 
HETATM 1358 O O     . HOH I 4 .  ? -8.903  14.798  -32.972 1.00 43.88  ? 142 HOH C O     1 
HETATM 1359 O O     . HOH I 4 .  ? -9.260  12.274  -32.924 1.00 47.23  ? 143 HOH C O     1 
HETATM 1360 O O     . HOH I 4 .  ? -28.250 5.166   -17.368 1.00 44.96  ? 144 HOH C O     1 
HETATM 1361 O O     . HOH I 4 .  ? -28.188 3.920   -15.366 1.00 45.35  ? 145 HOH C O     1 
HETATM 1362 O O     . HOH I 4 .  ? -7.436  10.996  -30.890 1.00 59.96  ? 146 HOH C O     1 
HETATM 1363 O O     . HOH I 4 .  ? -6.953  12.566  -27.397 1.00 57.04  ? 147 HOH C O     1 
HETATM 1364 O O     . HOH I 4 .  ? -20.833 6.086   4.834   1.00 57.34  ? 148 HOH C O     1 
HETATM 1365 O O     . HOH I 4 .  ? -18.436 10.644  -18.231 0.50 30.30  ? 149 HOH C O     1 
HETATM 1366 O O     . HOH I 4 .  ? -23.525 7.242   -27.433 1.00 49.50  ? 150 HOH C O     1 
HETATM 1367 O O     . HOH I 4 .  ? -24.240 8.164   -24.392 1.00 37.93  ? 151 HOH C O     1 
HETATM 1368 O O     . HOH I 4 .  ? -26.815 9.196   -22.963 1.00 43.74  ? 152 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 11 ? 0.4085 1.0449 0.7878 0.1644  -0.1381 -0.3176 9  GLU A N     
2    C CA    . GLU A 11 ? 0.4577 1.0990 0.8932 0.1434  -0.1364 -0.3592 9  GLU A CA    
3    C C     . GLU A 11 ? 0.4676 1.0959 0.9059 0.1218  -0.1185 -0.3419 9  GLU A C     
4    O O     . GLU A 11 ? 0.3374 0.9688 0.8128 0.0938  -0.1004 -0.3433 9  GLU A O     
5    C CB    . GLU A 11 ? 0.4731 1.1239 0.9262 0.1622  -0.1608 -0.4078 9  GLU A CB    
6    C CG    . GLU A 11 ? 0.6450 1.3095 1.1785 0.1447  -0.1675 -0.4556 9  GLU A CG    
7    C CD    . GLU A 11 ? 0.6907 1.3557 1.2878 0.1049  -0.1523 -0.4632 9  GLU A CD    
8    O OE1   . GLU A 11 ? 0.6602 1.3126 1.2366 0.0981  -0.1442 -0.4428 9  GLU A OE1   
9    O OE2   . GLU A 11 ? 0.7323 1.4135 1.4022 0.0785  -0.1475 -0.4877 9  GLU A OE2   
10   N N     . ILE A 12 ? 0.4027 1.0205 0.7991 0.1373  -0.1232 -0.3273 10 ILE A N     
11   C CA    . ILE A 12 ? 0.3287 0.9339 0.7194 0.1226  -0.1086 -0.3094 10 ILE A CA    
12   C C     . ILE A 12 ? 0.3002 0.8924 0.6799 0.1084  -0.0890 -0.2700 10 ILE A C     
13   O O     . ILE A 12 ? 0.2874 0.8781 0.6873 0.0873  -0.0723 -0.2689 10 ILE A O     
14   C CB    . ILE A 12 ? 0.4780 1.0731 0.8153 0.1487  -0.1191 -0.2982 10 ILE A CB    
15   C CG1   . ILE A 12 ? 0.3751 0.9753 0.7306 0.1657  -0.1454 -0.3472 10 ILE A CG1   
16   C CG2   . ILE A 12 ? 0.4460 1.0265 0.7696 0.1374  -0.1043 -0.2740 10 ILE A CG2   
17   C CD1   . ILE A 12 ? 0.4390 1.0260 0.7382 0.1972  -0.1589 -0.3447 10 ILE A CD1   
18   N N     . GLU A 13 ? 0.3941 0.9787 0.7482 0.1203  -0.0927 -0.2400 11 GLU A N     
19   C CA    . GLU A 13 ? 0.3705 0.9418 0.7243 0.1115  -0.0835 -0.2104 11 GLU A CA    
20   C C     . GLU A 13 ? 0.3422 0.9214 0.7362 0.0941  -0.0756 -0.2317 11 GLU A C     
21   O O     . GLU A 13 ? 0.3362 0.9072 0.7354 0.0843  -0.0652 -0.2227 11 GLU A O     
22   C CB    . GLU A 13 ? 0.4036 0.9845 0.7380 0.1302  -0.0944 -0.1868 11 GLU A CB    
23   C CG    . GLU A 13 ? 0.4084 0.9870 0.7032 0.1440  -0.0951 -0.1583 11 GLU A CG    
24   C CD    . GLU A 13 ? 0.4327 1.0288 0.7187 0.1578  -0.1019 -0.1250 11 GLU A CD    
25   O OE1   . GLU A 13 ? 0.4554 1.0616 0.7678 0.1580  -0.1100 -0.1221 11 GLU A OE1   
26   O OE2   . GLU A 13 ? 0.4782 1.0813 0.7338 0.1685  -0.0993 -0.1007 11 GLU A OE2   
27   N N     . MET A 14 ? 0.3180 0.9165 0.7408 0.0927  -0.0813 -0.2640 12 MET A N     
28   C CA    . MET A 14 ? 0.3020 0.9176 0.7672 0.0766  -0.0723 -0.2901 12 MET A CA    
29   C C     . MET A 14 ? 0.2996 0.9262 0.7902 0.0525  -0.0507 -0.3017 12 MET A C     
30   O O     . MET A 14 ? 0.2976 0.9317 0.7994 0.0417  -0.0358 -0.3006 12 MET A O     
31   C CB    . MET A 14 ? 0.3265 0.9648 0.8250 0.0799  -0.0841 -0.3280 12 MET A CB    
32   C CG    . MET A 14 ? 0.4706 1.1312 1.0130 0.0675  -0.0770 -0.3534 12 MET A CG    
33   S SD    . MET A 14 ? 0.4185 1.1067 1.0121 0.0689  -0.0913 -0.4029 12 MET A SD    
34   C CE    . MET A 14 ? 0.4308 1.1043 0.9725 0.1065  -0.1195 -0.3933 12 MET A CE    
35   N N     . ARG A 15 ? 0.3044 0.9357 0.8055 0.0457  -0.0499 -0.3136 13 ARG A N     
36   C CA    . ARG A 15 ? 0.3084 0.9554 0.8443 0.0169  -0.0268 -0.3226 13 ARG A CA    
37   C C     . ARG A 15 ? 0.2901 0.9228 0.7894 0.0176  -0.0116 -0.2944 13 ARG A C     
38   O O     . ARG A 15 ? 0.2966 0.9472 0.8155 -0.0036 0.0150  -0.2957 13 ARG A O     
39   C CB    . ARG A 15 ? 0.3220 0.9729 0.8856 0.0097  -0.0368 -0.3439 13 ARG A CB    
40   C CG    . ARG A 15 ? 0.3626 1.0262 0.9734 0.0097  -0.0570 -0.3795 13 ARG A CG    
41   C CD    . ARG A 15 ? 0.3717 1.0302 1.0199 0.0009  -0.0760 -0.4045 13 ARG A CD    
42   N NE    . ARG A 15 ? 0.4808 1.1444 1.1785 -0.0487 -0.0507 -0.4002 13 ARG A NE    
43   C CZ    . ARG A 15 ? 0.4763 1.1181 1.1890 -0.0659 -0.0635 -0.4070 13 ARG A CZ    
44   N NH1   . ARG A 15 ? 0.4068 1.0244 1.0848 -0.0267 -0.1071 -0.4233 13 ARG A NH1   
45   N NH2   . ARG A 15 ? 0.5571 1.1862 1.3020 -0.1213 -0.0324 -0.3922 13 ARG A NH2   
46   N N     . ILE A 16 ? 0.2733 0.8766 0.7201 0.0422  -0.0270 -0.2678 14 ILE A N     
47   C CA    . ILE A 16 ? 0.2585 0.8442 0.6728 0.0471  -0.0190 -0.2424 14 ILE A CA    
48   C C     . ILE A 16 ? 0.3442 0.9298 0.7624 0.0471  -0.0139 -0.2377 14 ILE A C     
49   O O     . ILE A 16 ? 0.3366 0.9334 0.7580 0.0399  0.0037  -0.2413 14 ILE A O     
50   C CB    . ILE A 16 ? 0.2462 0.8023 0.6129 0.0703  -0.0368 -0.2116 14 ILE A CB    
51   C CG1   . ILE A 16 ? 0.2534 0.8147 0.6095 0.0780  -0.0443 -0.2225 14 ILE A CG1   
52   C CG2   . ILE A 16 ? 0.2340 0.7695 0.5767 0.0753  -0.0327 -0.1870 14 ILE A CG2   
53   C CD1   . ILE A 16 ? 0.2510 0.7916 0.5574 0.1021  -0.0588 -0.1935 14 ILE A CD1   
54   N N     . CYS A 17 ? 0.2577 0.8353 0.6764 0.0576  -0.0299 -0.2329 15 CYS A N     
55   C CA    . CYS A 17 ? 0.2812 0.8609 0.7089 0.0617  -0.0318 -0.2358 15 CYS A CA    
56   C C     . CYS A 17 ? 0.2960 0.9164 0.7589 0.0462  -0.0116 -0.2687 15 CYS A C     
57   O O     . CYS A 17 ? 0.3088 0.9424 0.7746 0.0498  -0.0056 -0.2770 15 CYS A O     
58   C CB    . CYS A 17 ? 0.2689 0.8455 0.7004 0.0752  -0.0532 -0.2359 15 CYS A CB    
59   S SG    . CYS A 17 ? 0.3004 0.8521 0.7040 0.0920  -0.0727 -0.1963 15 CYS A SG    
60   N N     . ASP A 18 ? 0.2917 0.9373 0.7862 0.0291  -0.0010 -0.2880 16 ASP A N     
61   C CA    . ASP A 18 ? 0.3351 1.0273 0.8735 0.0076  0.0244  -0.3117 16 ASP A CA    
62   C C     . ASP A 18 ? 0.3238 1.0335 0.8600 -0.0081 0.0560  -0.3038 16 ASP A C     
63   O O     . ASP A 18 ? 0.3906 1.1386 0.9422 -0.0151 0.0792  -0.3120 16 ASP A O     
64   C CB    . ASP A 18 ? 0.3308 1.0443 0.9155 -0.0109 0.0265  -0.3316 16 ASP A CB    
65   C CG    . ASP A 18 ? 0.5078 1.2747 1.1481 -0.0406 0.0579  -0.3470 16 ASP A CG    
66   O OD1   . ASP A 18 ? 0.5655 1.3623 1.2305 -0.0370 0.0568  -0.3652 16 ASP A OD1   
67   O OD2   . ASP A 18 ? 0.4747 1.2565 1.1362 -0.0695 0.0854  -0.3385 16 ASP A OD2   
68   N N     . TYR A 19 ? 0.3114 0.9984 0.8267 -0.0116 0.0588  -0.2887 17 TYR A N     
69   C CA    . TYR A 19 ? 0.3238 1.0228 0.8277 -0.0246 0.0915  -0.2791 17 TYR A CA    
70   C C     . TYR A 19 ? 0.3202 1.0138 0.7872 0.0013  0.0879  -0.2733 17 TYR A C     
71   O O     . TYR A 19 ? 0.3473 1.0728 0.8120 -0.0028 0.1177  -0.2761 17 TYR A O     
72   C CB    . TYR A 19 ? 0.3130 0.9870 0.7984 -0.0280 0.0903  -0.2688 17 TYR A CB    
73   C CG    . TYR A 19 ? 0.4529 1.1357 0.9184 -0.0440 0.1315  -0.2583 17 TYR A CG    
74   C CD1   . TYR A 19 ? 0.5271 1.2331 1.0259 -0.0905 0.1737  -0.2570 17 TYR A CD1   
75   C CD2   . TYR A 19 ? 0.3825 1.0446 0.7916 -0.0156 0.1303  -0.2460 17 TYR A CD2   
76   C CE1   . TYR A 19 ? 0.5554 1.2195 0.9887 -0.1047 0.2083  -0.2267 17 TYR A CE1   
77   C CE2   . TYR A 19 ? 0.4503 1.0976 0.8098 -0.0241 0.1679  -0.2314 17 TYR A CE2   
78   C CZ    . TYR A 19 ? 0.5251 1.1547 0.8797 -0.0680 0.2041  -0.2141 17 TYR A CZ    
79   O OH    . TYR A 19 ? 0.5496 1.1255 0.8235 -0.0754 0.2331  -0.1820 17 TYR A OH    
80   N N     . LEU A 20 ? 0.2940 0.9485 0.7333 0.0279  0.0517  -0.2639 18 LEU A N     
81   C CA    . LEU A 20 ? 0.2919 0.9363 0.7081 0.0523  0.0377  -0.2626 18 LEU A CA    
82   C C     . LEU A 20 ? 0.3125 0.9924 0.7509 0.0580  0.0386  -0.2873 18 LEU A C     
83   O O     . LEU A 20 ? 0.3433 1.0447 0.7712 0.0725  0.0453  -0.2988 18 LEU A O     
84   C CB    . LEU A 20 ? 0.3053 0.8996 0.7004 0.0706  0.0014  -0.2410 18 LEU A CB    
85   C CG    . LEU A 20 ? 0.3375 0.9036 0.7050 0.0725  -0.0017 -0.2169 18 LEU A CG    
86   C CD1   . LEU A 20 ? 0.2636 0.7870 0.6151 0.0863  -0.0301 -0.1861 18 LEU A CD1   
87   C CD2   . LEU A 20 ? 0.2614 0.8372 0.6086 0.0776  0.0164  -0.2205 18 LEU A CD2   
88   N N     . ARG A 21 ? 0.3146 1.0040 0.7814 0.0512  0.0303  -0.2990 19 ARG A N     
89   C CA    . ARG A 21 ? 0.3366 1.0645 0.8271 0.0587  0.0285  -0.3270 19 ARG A CA    
90   C C     . ARG A 21 ? 0.4283 1.2195 0.9356 0.0466  0.0689  -0.3394 19 ARG A C     
91   O O     . ARG A 21 ? 0.4056 1.2354 0.9164 0.0632  0.0700  -0.3610 19 ARG A O     
92   C CB    . ARG A 21 ? 0.3695 1.0980 0.8870 0.0535  0.0151  -0.3380 19 ARG A CB    
93   C CG    . ARG A 21 ? 0.3995 1.1635 0.9400 0.0663  0.0058  -0.3707 19 ARG A CG    
94   C CD    . ARG A 21 ? 0.4558 1.2089 1.0144 0.0676  -0.0132 -0.3799 19 ARG A CD    
95   N NE    . ARG A 21 ? 0.4172 1.1132 0.9490 0.0830  -0.0425 -0.3588 19 ARG A NE    
96   C CZ    . ARG A 21 ? 0.4209 1.0922 0.9438 0.0782  -0.0484 -0.3411 19 ARG A CZ    
97   N NH1   . ARG A 21 ? 0.3984 1.0836 0.9358 0.0592  -0.0315 -0.3405 19 ARG A NH1   
98   N NH2   . ARG A 21 ? 0.4482 1.0852 0.9525 0.0933  -0.0716 -0.3225 19 ARG A NH2   
99   N N     . ARG A 22 ? 0.4227 1.2259 0.9392 0.0184  0.1036  -0.3237 20 ARG A N     
100  C CA    . ARG A 22 ? 0.4213 1.2832 0.9525 0.0001  0.1527  -0.3218 20 ARG A CA    
101  C C     . ARG A 22 ? 0.4432 1.3028 0.9242 0.0107  0.1789  -0.3058 20 ARG A C     
102  O O     . ARG A 22 ? 0.4869 1.3935 0.9566 0.0200  0.2072  -0.3095 20 ARG A O     
103  C CB    . ARG A 22 ? 0.4912 1.3685 1.0657 -0.0425 0.1803  -0.3105 20 ARG A CB    
104  C CG    . ARG A 22 ? 0.5391 1.4386 1.1685 -0.0518 0.1643  -0.3313 20 ARG A CG    
105  C CD    . ARG A 22 ? 0.6041 1.5222 1.2881 -0.0960 0.1878  -0.3225 20 ARG A CD    
106  N NE    . ARG A 22 ? 0.6879 1.5516 1.3610 -0.1061 0.1717  -0.3132 20 ARG A NE    
107  C CZ    . ARG A 22 ? 0.7821 1.6330 1.4480 -0.1336 0.1984  -0.2914 20 ARG A CZ    
108  N NH1   . ARG A 22 ? 0.8454 1.7294 1.5058 -0.1557 0.2472  -0.2687 20 ARG A NH1   
109  N NH2   . ARG A 22 ? 0.7741 1.5799 1.4346 -0.1381 0.1771  -0.2916 20 ARG A NH2   
110  N N     . HIS A 23 ? 0.4199 1.2268 0.8652 0.0137  0.1696  -0.2887 21 HIS A N     
111  C CA    . HIS A 23 ? 0.4953 1.2919 0.8833 0.0228  0.1977  -0.2723 21 HIS A CA    
112  C C     . HIS A 23 ? 0.4684 1.2340 0.8138 0.0674  0.1616  -0.2813 21 HIS A C     
113  O O     . HIS A 23 ? 0.4729 1.2301 0.7621 0.0862  0.1794  -0.2745 21 HIS A O     
114  C CB    . HIS A 23 ? 0.5343 1.2979 0.9064 -0.0063 0.2194  -0.2489 21 HIS A CB    
115  C CG    . HIS A 23 ? 0.6527 1.4467 1.0685 -0.0568 0.2587  -0.2374 21 HIS A CG    
116  N ND1   . HIS A 23 ? 0.7705 1.5893 1.1650 -0.0843 0.3157  -0.2117 21 HIS A ND1   
117  C CD2   . HIS A 23 ? 0.6357 1.4364 1.1168 -0.0860 0.2465  -0.2451 21 HIS A CD2   
118  C CE1   . HIS A 23 ? 0.7737 1.6137 1.2300 -0.1350 0.3363  -0.2013 21 HIS A CE1   
119  N NE2   . HIS A 23 ? 0.6644 1.4941 1.1762 -0.1347 0.2926  -0.2262 21 HIS A NE2   
120  N N     . GLY A 24 ? 0.4454 1.1886 0.8132 0.0839  0.1100  -0.2941 22 GLY A N     
121  C CA    . GLY A 24 ? 0.4308 1.1426 0.7735 0.1199  0.0697  -0.3008 22 GLY A CA    
122  C C     . GLY A 24 ? 0.4268 1.0892 0.7359 0.1249  0.0619  -0.2781 22 GLY A C     
123  O O     . GLY A 24 ? 0.3675 1.0118 0.6830 0.1028  0.0689  -0.2600 22 GLY A O     
124  N N     . ARG A 25 ? 0.3778 1.0199 0.6508 0.1578  0.0437  -0.2825 23 ARG A N     
125  C CA    . ARG A 25 ? 0.3652 0.9595 0.6049 0.1697  0.0299  -0.2636 23 ARG A CA    
126  C C     . ARG A 25 ? 0.4581 1.0430 0.6654 0.1483  0.0725  -0.2443 23 ARG A C     
127  O O     . ARG A 25 ? 0.4296 1.0256 0.5956 0.1390  0.1193  -0.2419 23 ARG A O     
128  C CB    . ARG A 25 ? 0.4936 1.0677 0.6893 0.2104  0.0102  -0.2758 23 ARG A CB    
129  C CG    . ARG A 25 ? 0.5271 1.0838 0.7533 0.2298  -0.0468 -0.2924 23 ARG A CG    
130  C CD    . ARG A 25 ? 0.4840 1.0250 0.6691 0.2716  -0.0713 -0.3139 23 ARG A CD    
131  N NE    . ARG A 25 ? 0.5026 1.0038 0.6320 0.2878  -0.0666 -0.2978 23 ARG A NE    
132  C CZ    . ARG A 25 ? 0.4387 0.8873 0.5716 0.2858  -0.0973 -0.2783 23 ARG A CZ    
133  N NH1   . ARG A 25 ? 0.4591 0.8805 0.6431 0.2601  -0.1233 -0.2622 23 ARG A NH1   
134  N NH2   . ARG A 25 ? 0.4811 0.8931 0.5571 0.3046  -0.0945 -0.2676 23 ARG A NH2   
135  N N     . SER A 26 ? 0.3371 0.8983 0.5573 0.1390  0.0556  -0.2277 24 SER A N     
136  C CA    . SER A 26 ? 0.3774 0.9187 0.5669 0.1172  0.0855  -0.2130 24 SER A CA    
137  C C     . SER A 26 ? 0.4011 0.8886 0.5629 0.1299  0.0532  -0.1918 24 SER A C     
138  O O     . SER A 26 ? 0.4144 0.9207 0.6211 0.1443  0.0166  -0.1892 24 SER A O     
139  C CB    . SER A 26 ? 0.3333 0.9156 0.5826 0.0820  0.1014  -0.2199 24 SER A CB    
140  O OG    . SER A 26 ? 0.3572 0.9792 0.6318 0.0658  0.1258  -0.2320 24 SER A OG    
141  N N     . THR A 27 ? 0.4664 0.8855 0.5524 0.1237  0.0658  -0.1726 25 THR A N     
142  C CA    . THR A 27 ? 0.4932 0.8689 0.5524 0.1365  0.0378  -0.1562 25 THR A CA    
143  C C     . THR A 27 ? 0.4795 0.8686 0.5717 0.1160  0.0353  -0.1562 25 THR A C     
144  O O     . THR A 27 ? 0.4076 0.8167 0.5293 0.0868  0.0578  -0.1659 25 THR A O     
145  C CB    . THR A 27 ? 0.5438 0.8358 0.5061 0.1422  0.0464  -0.1405 25 THR A CB    
146  O OG1   . THR A 27 ? 0.6476 0.9077 0.5803 0.1078  0.0805  -0.1325 25 THR A OG1   
147  C CG2   . THR A 27 ? 0.5134 0.7900 0.4327 0.1696  0.0461  -0.1446 25 THR A CG2   
148  N N     . VAL A 28 ? 0.3806 0.7649 0.4704 0.1341  0.0064  -0.1474 26 VAL A N     
149  C CA    . VAL A 28 ? 0.4302 0.8273 0.5410 0.1255  -0.0016 -0.1533 26 VAL A CA    
150  C C     . VAL A 28 ? 0.5136 0.8437 0.5803 0.0983  0.0172  -0.1555 26 VAL A C     
151  O O     . VAL A 28 ? 0.4829 0.8237 0.5851 0.0771  0.0186  -0.1689 26 VAL A O     
152  C CB    . VAL A 28 ? 0.3452 0.7563 0.4481 0.1576  -0.0339 -0.1428 26 VAL A CB    
153  C CG1   . VAL A 28 ? 0.4445 0.7846 0.4687 0.1739  -0.0407 -0.1328 26 VAL A CG1   
154  C CG2   . VAL A 28 ? 0.3930 0.8361 0.5221 0.1594  -0.0465 -0.1559 26 VAL A CG2   
155  N N     . GLN A 29 ? 0.5579 0.8173 0.5511 0.0987  0.0286  -0.1412 27 GLN A N     
156  C CA    . GLN A 29 ? 0.6945 0.8791 0.6416 0.0705  0.0449  -0.1327 27 GLN A CA    
157  C C     . GLN A 29 ? 0.6493 0.8615 0.6418 0.0268  0.0807  -0.1338 27 GLN A C     
158  O O     . GLN A 29 ? 0.6543 0.8425 0.6689 -0.0047 0.0822  -0.1353 27 GLN A O     
159  C CB    . GLN A 29 ? 0.8016 0.9079 0.6553 0.0836  0.0504  -0.1128 27 GLN A CB    
160  C CG    . GLN A 29 ? 0.8339 0.8955 0.6376 0.1206  0.0135  -0.1126 27 GLN A CG    
161  C CD    . GLN A 29 ? 0.8017 0.9248 0.6336 0.1571  -0.0077 -0.1173 27 GLN A CD    
162  O OE1   . GLN A 29 ? 0.7873 0.9633 0.6594 0.1578  0.0019  -0.1191 27 GLN A OE1   
163  N NE2   . GLN A 29 ? 0.8163 0.9352 0.6317 0.1882  -0.0392 -0.1188 27 GLN A NE2   
164  N N     . ASP A 30 ? 0.5538 0.8198 0.5654 0.0268  0.1061  -0.1354 28 ASP A N     
165  C CA    . ASP A 30 ? 0.6180 0.9365 0.6832 -0.0094 0.1420  -0.1398 28 ASP A CA    
166  C C     . ASP A 30 ? 0.6020 0.9678 0.7548 -0.0275 0.1274  -0.1622 28 ASP A C     
167  O O     . ASP A 30 ? 0.5882 0.9507 0.7771 -0.0679 0.1426  -0.1610 28 ASP A O     
168  C CB    . ASP A 30 ? 0.5770 0.9664 0.6620 0.0097  0.1576  -0.1522 28 ASP A CB    
169  C CG    . ASP A 30 ? 0.6522 1.0054 0.6526 0.0283  0.1763  -0.1357 28 ASP A CG    
170  O OD1   . ASP A 30 ? 0.7649 1.0530 0.7001 0.0098  0.1970  -0.1078 28 ASP A OD1   
171  O OD2   . ASP A 30 ? 0.5986 0.9860 0.5981 0.0636  0.1661  -0.1511 28 ASP A OD2   
172  N N     . ILE A 31 ? 0.5055 0.9153 0.6939 0.0031  0.0953  -0.1804 29 ILE A N     
173  C CA    . ILE A 31 ? 0.4474 0.9131 0.7147 -0.0027 0.0777  -0.2047 29 ILE A CA    
174  C C     . ILE A 31 ? 0.4773 0.8964 0.7434 -0.0144 0.0561  -0.2108 29 ILE A C     
175  O O     . ILE A 31 ? 0.4441 0.8819 0.7699 -0.0444 0.0589  -0.2270 29 ILE A O     
176  C CB    . ILE A 31 ? 0.3983 0.9178 0.6927 0.0364  0.0466  -0.2130 29 ILE A CB    
177  C CG1   . ILE A 31 ? 0.2821 0.8433 0.5922 0.0491  0.0563  -0.2136 29 ILE A CG1   
178  C CG2   . ILE A 31 ? 0.2756 0.8512 0.6401 0.0363  0.0264  -0.2371 29 ILE A CG2   
179  C CD1   . ILE A 31 ? 0.2654 0.8140 0.5633 0.0789  0.0185  -0.1961 29 ILE A CD1   
180  N N     . PHE A 32 ? 0.5395 0.9007 0.7433 0.0120  0.0299  -0.2022 30 PHE A N     
181  C CA    . PHE A 32 ? 0.5861 0.9065 0.7897 0.0124  -0.0013 -0.2175 30 PHE A CA    
182  C C     . PHE A 32 ? 0.5821 0.8284 0.7821 -0.0345 0.0112  -0.2089 30 PHE A C     
183  O O     . PHE A 32 ? 0.6120 0.8447 0.8571 -0.0511 -0.0114 -0.2296 30 PHE A O     
184  C CB    . PHE A 32 ? 0.4887 0.7838 0.6335 0.0610  -0.0373 -0.2175 30 PHE A CB    
185  C CG    . PHE A 32 ? 0.6158 0.8191 0.6745 0.0661  -0.0369 -0.1964 30 PHE A CG    
186  C CD1   . PHE A 32 ? 0.7805 0.8918 0.8090 0.0454  -0.0479 -0.1961 30 PHE A CD1   
187  C CD2   . PHE A 32 ? 0.5778 0.7834 0.5889 0.0945  -0.0332 -0.1779 30 PHE A CD2   
188  C CE1   . PHE A 32 ? 0.8442 0.8660 0.7887 0.0540  -0.0520 -0.1764 30 PHE A CE1   
189  C CE2   . PHE A 32 ? 0.6631 0.7852 0.5933 0.1046  -0.0370 -0.1624 30 PHE A CE2   
190  C CZ    . PHE A 32 ? 0.7655 0.7951 0.6581 0.0856  -0.0456 -0.1613 30 PHE A CZ    
191  N N     . LYS A 33 ? 0.6321 0.8326 0.7818 -0.0551 0.0449  -0.1769 31 LYS A N     
192  C CA    . LYS A 33 ? 0.7293 0.8614 0.8732 -0.1044 0.0628  -0.1542 31 LYS A CA    
193  C C     . LYS A 33 ? 0.7842 0.9774 1.0288 -0.1522 0.0845  -0.1630 31 LYS A C     
194  O O     . LYS A 33 ? 0.7849 0.9370 1.0719 -0.1895 0.0709  -0.1637 31 LYS A O     
195  C CB    . LYS A 33 ? 0.7826 0.8741 0.8489 -0.1117 0.1012  -0.1142 31 LYS A CB    
196  C CG    . LYS A 33 ? 0.8294 0.8285 0.7937 -0.0773 0.0765  -0.1009 31 LYS A CG    
197  N N     . GLU A 34 ? 0.6541 0.9457 0.9425 -0.1495 0.1134  -0.1722 32 GLU A N     
198  C CA    . GLU A 34 ? 0.6637 1.0320 1.0517 -0.1895 0.1369  -0.1843 32 GLU A CA    
199  C C     . GLU A 34 ? 0.6462 1.0465 1.1138 -0.1837 0.0942  -0.2270 32 GLU A C     
200  O O     . GLU A 34 ? 0.6360 1.0422 1.1805 -0.2253 0.0912  -0.2363 32 GLU A O     
201  C CB    . GLU A 34 ? 0.5821 1.0469 0.9880 -0.1771 0.1731  -0.1891 32 GLU A CB    
202  C CG    . GLU A 34 ? 0.6346 1.1952 1.1474 -0.2115 0.1970  -0.2076 32 GLU A CG    
203  C CD    . GLU A 34 ? 0.7408 1.2939 1.2786 -0.2729 0.2397  -0.1733 32 GLU A CD    
204  O OE1   . GLU A 34 ? 0.8178 1.3237 1.2772 -0.2806 0.2705  -0.1311 32 GLU A OE1   
205  O OE2   . GLU A 34 ? 0.6573 1.2542 1.2955 -0.3137 0.2417  -0.1860 32 GLU A OE2   
206  N N     . LEU A 35 ? 0.5347 0.9578 0.9854 -0.1312 0.0595  -0.2512 33 LEU A N     
207  C CA    . LEU A 35 ? 0.4963 0.9631 1.0123 -0.1143 0.0194  -0.2926 33 LEU A CA    
208  C C     . LEU A 35 ? 0.5559 0.9482 1.0610 -0.1087 -0.0281 -0.3086 33 LEU A C     
209  O O     . LEU A 35 ? 0.5439 0.9655 1.1040 -0.0952 -0.0658 -0.3474 33 LEU A O     
210  C CB    . LEU A 35 ? 0.4110 0.9401 0.9143 -0.0598 0.0020  -0.3051 33 LEU A CB    
211  C CG    . LEU A 35 ? 0.3504 0.9569 0.8823 -0.0571 0.0314  -0.3022 33 LEU A CG    
212  C CD1   . LEU A 35 ? 0.3397 0.9740 0.8516 -0.0071 0.0020  -0.3041 33 LEU A CD1   
213  C CD2   . LEU A 35 ? 0.3499 1.0179 0.9734 -0.0957 0.0533  -0.3223 33 LEU A CD2   
214  N N     . LYS A 36 ? 0.6263 0.9216 1.0587 -0.1141 -0.0308 -0.2823 34 LYS A N     
215  C CA    . LYS A 36 ? 0.6942 0.9067 1.1034 -0.0999 -0.0831 -0.2996 34 LYS A CA    
216  C C     . LYS A 36 ? 0.6434 0.8939 1.0266 -0.0304 -0.1271 -0.3334 34 LYS A C     
217  O O     . LYS A 36 ? 0.6544 0.9168 1.0779 -0.0110 -0.1723 -0.3748 34 LYS A O     
218  C CB    . LYS A 36 ? 0.7556 0.9437 1.2551 -0.1469 -0.1043 -0.3190 34 LYS A CB    
219  N N     . LEU A 37 ? 0.5987 0.8742 0.9171 0.0083  -0.1142 -0.3144 35 LEU A N     
220  C CA    . LEU A 37 ? 0.6106 0.9387 0.9028 0.0727  -0.1465 -0.3330 35 LEU A CA    
221  C C     . LEU A 37 ? 0.5587 0.8451 0.7596 0.1080  -0.1515 -0.3110 35 LEU A C     
222  O O     . LEU A 37 ? 0.5856 0.8154 0.7436 0.0851  -0.1242 -0.2797 35 LEU A O     
223  C CB    . LEU A 37 ? 0.5227 0.9581 0.8560 0.0855  -0.1272 -0.3296 35 LEU A CB    
224  C CG    . LEU A 37 ? 0.5318 1.0282 0.9574 0.0629  -0.1264 -0.3570 35 LEU A CG    
225  C CD1   . LEU A 37 ? 0.4398 1.0254 0.8936 0.0752  -0.1067 -0.3462 35 LEU A CD1   
226  C CD2   . LEU A 37 ? 0.4624 0.9724 0.9148 0.0929  -0.1774 -0.4023 35 LEU A CD2   
227  N N     . GLU A 38 ? 0.5445 0.8666 0.7155 0.1670  -0.1865 -0.3283 36 GLU A N     
228  C CA    . GLU A 38 ? 0.6010 0.9079 0.6957 0.2074  -0.1933 -0.3108 36 GLU A CA    
229  C C     . GLU A 38 ? 0.5302 0.8862 0.6201 0.2044  -0.1561 -0.2714 36 GLU A C     
230  O O     . GLU A 38 ? 0.4506 0.8865 0.5917 0.2011  -0.1418 -0.2651 36 GLU A O     
231  C CB    . GLU A 38 ? 0.7434 1.1110 0.8194 0.2748  -0.2343 -0.3375 36 GLU A CB    
232  C CG    . GLU A 38 ? 0.9664 1.2882 1.0435 0.2936  -0.2847 -0.3870 36 GLU A CG    
233  C CD    . GLU A 38 ? 1.1801 1.3973 1.1911 0.3068  -0.3125 -0.3946 36 GLU A CD    
234  O OE1   . GLU A 38 ? 1.2467 1.4755 1.2070 0.3481  -0.3041 -0.3743 36 GLU A OE1   
235  O OE2   . GLU A 38 ? 1.3210 1.4366 1.3440 0.2702  -0.3304 -0.4077 36 GLU A OE2   
236  N N     . LYS A 39 ? 0.4521 0.5851 0.7285 0.0143  0.0435  -0.1355 37 LYS A N     
237  C CA    . LYS A 39 ? 0.4586 0.6223 0.7021 0.0322  0.0460  -0.1253 37 LYS A CA    
238  C C     . LYS A 39 ? 0.3184 0.5150 0.5527 0.0409  0.0305  -0.1481 37 LYS A C     
239  O O     . LYS A 39 ? 0.3146 0.5430 0.5436 0.0417  0.0303  -0.1470 37 LYS A O     
240  C CB    . LYS A 39 ? 0.4515 0.5878 0.6601 0.0533  0.0486  -0.1062 37 LYS A CB    
241  C CG    . LYS A 39 ? 0.4794 0.6485 0.6568 0.0689  0.0473  -0.1011 37 LYS A CG    
242  C CD    . LYS A 39 ? 0.5473 0.6961 0.6898 0.0892  0.0473  -0.0799 37 LYS A CD    
243  C CE    . LYS A 39 ? 0.5487 0.6982 0.6867 0.1109  0.0296  -0.0928 37 LYS A CE    
244  N NZ    . LYS A 39 ? 0.3910 0.5877 0.5270 0.1147  0.0201  -0.1109 37 LYS A NZ    
245  N N     . SER A 40 ? 0.3277 0.5138 0.5587 0.0478  0.0193  -0.1681 38 SER A N     
246  C CA    . SER A 40 ? 0.3703 0.5875 0.5865 0.0540  0.0095  -0.1859 38 SER A CA    
247  C C     . SER A 40 ? 0.3181 0.5619 0.5442 0.0412  0.0014  -0.1939 38 SER A C     
248  O O     . SER A 40 ? 0.3232 0.5915 0.5326 0.0446  -0.0022 -0.1909 38 SER A O     
249  C CB    . SER A 40 ? 0.3275 0.5333 0.5382 0.0649  0.0033  -0.2094 38 SER A CB    
250  O OG    . SER A 40 ? 0.5207 0.7016 0.7510 0.0541  -0.0038 -0.2283 38 SER A OG    
251  N N     . THR A 41 ? 0.3047 0.5425 0.5612 0.0262  -0.0031 -0.2028 39 THR A N     
252  C CA    . THR A 41 ? 0.3365 0.6070 0.6103 0.0171  -0.0157 -0.2114 39 THR A CA    
253  C C     . THR A 41 ? 0.3370 0.6321 0.6158 0.0206  -0.0082 -0.1917 39 THR A C     
254  O O     . THR A 41 ? 0.2739 0.5908 0.5401 0.0284  -0.0190 -0.1920 39 THR A O     
255  C CB    . THR A 41 ? 0.3196 0.5866 0.6397 -0.0037 -0.0220 -0.2259 39 THR A CB    
256  O OG1   . THR A 41 ? 0.3887 0.6269 0.7022 -0.0050 -0.0327 -0.2518 39 THR A OG1   
257  C CG2   . THR A 41 ? 0.3100 0.6229 0.6556 -0.0097 -0.0397 -0.2364 39 THR A CG2   
258  N N     . VAL A 42 ? 0.3349 0.6224 0.6275 0.0169  0.0106  -0.1743 40 VAL A N     
259  C CA    . VAL A 42 ? 0.2504 0.5609 0.5456 0.0237  0.0202  -0.1615 40 VAL A CA    
260  C C     . VAL A 42 ? 0.3272 0.6334 0.5815 0.0403  0.0166  -0.1572 40 VAL A C     
261  O O     . VAL A 42 ? 0.2343 0.5557 0.4872 0.0485  0.0104  -0.1575 40 VAL A O     
262  C CB    . VAL A 42 ? 0.3101 0.6149 0.6160 0.0178  0.0453  -0.1433 40 VAL A CB    
263  C CG1   . VAL A 42 ? 0.2641 0.5948 0.5654 0.0300  0.0568  -0.1365 40 VAL A CG1   
264  C CG2   . VAL A 42 ? 0.2846 0.5970 0.6423 -0.0061 0.0517  -0.1453 40 VAL A CG2   
265  N N     . ASN A 43 ? 0.2487 0.5336 0.4746 0.0452  0.0189  -0.1542 41 ASN A N     
266  C CA    . ASN A 43 ? 0.2672 0.5524 0.4641 0.0544  0.0150  -0.1525 41 ASN A CA    
267  C C     . ASN A 43 ? 0.2808 0.5746 0.4679 0.0533  0.0017  -0.1590 41 ASN A C     
268  O O     . ASN A 43 ? 0.2990 0.5918 0.4730 0.0564  -0.0016 -0.1538 41 ASN A O     
269  C CB    . ASN A 43 ? 0.2505 0.5241 0.4298 0.0603  0.0179  -0.1504 41 ASN A CB    
270  C CG    . ASN A 43 ? 0.2685 0.5377 0.4332 0.0682  0.0252  -0.1396 41 ASN A CG    
271  O OD1   . ASN A 43 ? 0.3000 0.5754 0.4611 0.0698  0.0288  -0.1378 41 ASN A OD1   
272  N ND2   . ASN A 43 ? 0.2831 0.5422 0.4364 0.0768  0.0256  -0.1344 41 ASN A ND2   
273  N N     . ARG A 44 ? 0.2752 0.5729 0.4640 0.0491  -0.0062 -0.1701 42 ARG A N     
274  C CA    . ARG A 44 ? 0.3025 0.6094 0.4695 0.0495  -0.0177 -0.1727 42 ARG A CA    
275  C C     . ARG A 44 ? 0.2668 0.5803 0.4410 0.0538  -0.0287 -0.1653 42 ARG A C     
276  O O     . ARG A 44 ? 0.3073 0.6140 0.4582 0.0577  -0.0344 -0.1544 42 ARG A O     
277  C CB    . ARG A 44 ? 0.3472 0.6605 0.5089 0.0471  -0.0265 -0.1913 42 ARG A CB    
278  C CG    . ARG A 44 ? 0.3922 0.7178 0.5195 0.0495  -0.0389 -0.1911 42 ARG A CG    
279  C CD    . ARG A 44 ? 0.4175 0.7521 0.5291 0.0497  -0.0480 -0.2154 42 ARG A CD    
280  N NE    . ARG A 44 ? 0.3512 0.6885 0.4977 0.0446  -0.0630 -0.2340 42 ARG A NE    
281  C CZ    . ARG A 44 ? 0.4461 0.7675 0.6208 0.0383  -0.0588 -0.2514 42 ARG A CZ    
282  N NH1   . ARG A 44 ? 0.4300 0.7320 0.5990 0.0430  -0.0421 -0.2523 42 ARG A NH1   
283  N NH2   . ARG A 44 ? 0.4191 0.7436 0.6322 0.0270  -0.0725 -0.2674 42 ARG A NH2   
284  N N     . HIS A 45 ? 0.2498 0.5763 0.4604 0.0534  -0.0308 -0.1700 43 HIS A N     
285  C CA    . HIS A 45 ? 0.2691 0.6110 0.4970 0.0632  -0.0424 -0.1666 43 HIS A CA    
286  C C     . HIS A 45 ? 0.3321 0.6614 0.5572 0.0741  -0.0327 -0.1562 43 HIS A C     
287  O O     . HIS A 45 ? 0.3147 0.6385 0.5345 0.0875  -0.0445 -0.1505 43 HIS A O     
288  C CB    . HIS A 45 ? 0.2724 0.6462 0.5520 0.0577  -0.0468 -0.1785 43 HIS A CB    
289  C CG    . HIS A 45 ? 0.3381 0.7256 0.6211 0.0499  -0.0674 -0.1951 43 HIS A CG    
290  N ND1   . HIS A 45 ? 0.4073 0.8078 0.6699 0.0607  -0.0939 -0.1977 43 HIS A ND1   
291  C CD2   . HIS A 45 ? 0.3829 0.7683 0.6816 0.0337  -0.0674 -0.2118 43 HIS A CD2   
292  C CE1   . HIS A 45 ? 0.4435 0.8566 0.7074 0.0517  -0.1102 -0.2187 43 HIS A CE1   
293  N NE2   . HIS A 45 ? 0.4045 0.8062 0.6933 0.0344  -0.0945 -0.2297 43 HIS A NE2   
294  N N     . LEU A 46 ? 0.2823 0.6032 0.5072 0.0709  -0.0136 -0.1547 44 LEU A N     
295  C CA    . LEU A 46 ? 0.2570 0.5654 0.4732 0.0818  -0.0060 -0.1518 44 LEU A CA    
296  C C     . LEU A 46 ? 0.2808 0.5594 0.4643 0.0824  -0.0155 -0.1461 44 LEU A C     
297  O O     . LEU A 46 ? 0.3152 0.5756 0.4950 0.0937  -0.0216 -0.1450 44 LEU A O     
298  C CB    . LEU A 46 ? 0.2564 0.5621 0.4655 0.0789  0.0129  -0.1511 44 LEU A CB    
299  C CG    . LEU A 46 ? 0.3080 0.6367 0.5448 0.0771  0.0305  -0.1499 44 LEU A CG    
300  C CD1   . LEU A 46 ? 0.2491 0.5655 0.4622 0.0743  0.0465  -0.1417 44 LEU A CD1   
301  C CD2   . LEU A 46 ? 0.3142 0.6644 0.5718 0.0923  0.0368  -0.1558 44 LEU A CD2   
302  N N     . TYR A 47 ? 0.2539 0.5269 0.4172 0.0698  -0.0153 -0.1430 45 TYR A N     
303  C CA    . TYR A 47 ? 0.3196 0.5702 0.4581 0.0631  -0.0192 -0.1350 45 TYR A CA    
304  C C     . TYR A 47 ? 0.4049 0.6419 0.5295 0.0672  -0.0333 -0.1228 45 TYR A C     
305  O O     . TYR A 47 ? 0.4451 0.6502 0.5535 0.0649  -0.0372 -0.1115 45 TYR A O     
306  C CB    . TYR A 47 ? 0.3287 0.5900 0.4567 0.0495  -0.0115 -0.1359 45 TYR A CB    
307  C CG    . TYR A 47 ? 0.2658 0.5302 0.3999 0.0488  -0.0044 -0.1432 45 TYR A CG    
308  C CD1   . TYR A 47 ? 0.3053 0.5820 0.4483 0.0553  0.0016  -0.1485 45 TYR A CD1   
309  C CD2   . TYR A 47 ? 0.2975 0.5492 0.4269 0.0417  -0.0062 -0.1444 45 TYR A CD2   
310  C CE1   . TYR A 47 ? 0.2361 0.5153 0.3756 0.0592  0.0043  -0.1520 45 TYR A CE1   
311  C CE2   . TYR A 47 ? 0.4008 0.6608 0.5326 0.0433  -0.0056 -0.1543 45 TYR A CE2   
312  C CZ    . TYR A 47 ? 0.3600 0.6351 0.4932 0.0546  -0.0010 -0.1567 45 TYR A CZ    
313  O OH    . TYR A 47 ? 0.2785 0.5617 0.4053 0.0604  -0.0038 -0.1632 45 TYR A OH    
314  N N     . SER A 48 ? 0.3731 0.6311 0.5030 0.0730  -0.0431 -0.1247 46 SER A N     
315  C CA    . SER A 48 ? 0.4314 0.6800 0.5431 0.0827  -0.0619 -0.1119 46 SER A CA    
316  C C     . SER A 48 ? 0.4306 0.6661 0.5634 0.1040  -0.0728 -0.1102 46 SER A C     
317  O O     . SER A 48 ? 0.4584 0.6590 0.5707 0.1140  -0.0853 -0.0937 46 SER A O     
318  C CB    . SER A 48 ? 0.4206 0.7019 0.5326 0.0844  -0.0749 -0.1204 46 SER A CB    
319  O OG    . SER A 48 ? 0.5094 0.7856 0.6012 0.0992  -0.0984 -0.1075 46 SER A OG    
320  N N     . LEU A 49 ? 0.3695 0.6318 0.5435 0.1119  -0.0662 -0.1265 47 LEU A N     
321  C CA    . LEU A 49 ? 0.3919 0.6511 0.5920 0.1355  -0.0703 -0.1313 47 LEU A CA    
322  C C     . LEU A 49 ? 0.5183 0.7281 0.6987 0.1382  -0.0635 -0.1297 47 LEU A C     
323  O O     . LEU A 49 ? 0.5486 0.7307 0.7332 0.1603  -0.0740 -0.1292 47 LEU A O     
324  C CB    . LEU A 49 ? 0.3585 0.6651 0.6056 0.1385  -0.0559 -0.1485 47 LEU A CB    
325  C CG    . LEU A 49 ? 0.3385 0.6958 0.6237 0.1372  -0.0672 -0.1549 47 LEU A CG    
326  C CD1   . LEU A 49 ? 0.2921 0.6896 0.6205 0.1258  -0.0442 -0.1665 47 LEU A CD1   
327  C CD2   . LEU A 49 ? 0.3238 0.6977 0.6336 0.1657  -0.0920 -0.1551 47 LEU A CD2   
328  N N     . GLN A 50 ? 0.4274 0.6260 0.5897 0.1173  -0.0489 -0.1317 48 GLN A N     
329  C CA    . GLN A 50 ? 0.4697 0.6236 0.6156 0.1138  -0.0466 -0.1345 48 GLN A CA    
330  C C     . GLN A 50 ? 0.5404 0.6444 0.6624 0.1097  -0.0606 -0.1137 48 GLN A C     
331  O O     . GLN A 50 ? 0.5743 0.6298 0.6939 0.1216  -0.0689 -0.1142 48 GLN A O     
332  C CB    . GLN A 50 ? 0.4161 0.5783 0.5517 0.0914  -0.0335 -0.1407 48 GLN A CB    
333  C CG    . GLN A 50 ? 0.4702 0.5945 0.5960 0.0856  -0.0348 -0.1516 48 GLN A CG    
334  C CD    . GLN A 50 ? 0.4257 0.5676 0.5463 0.0642  -0.0281 -0.1578 48 GLN A CD    
335  O OE1   . GLN A 50 ? 0.4717 0.6146 0.5894 0.0670  -0.0273 -0.1766 48 GLN A OE1   
336  N NE2   . GLN A 50 ? 0.3998 0.5603 0.5185 0.0460  -0.0247 -0.1442 48 GLN A NE2   
337  N N     . ALA A 51 ? 0.5412 0.6540 0.6423 0.0936  -0.0619 -0.0950 49 ALA A N     
338  C CA    . ALA A 51 ? 0.6134 0.6815 0.6823 0.0872  -0.0713 -0.0671 49 ALA A CA    
339  C C     . ALA A 51 ? 0.6901 0.7303 0.7577 0.1188  -0.0937 -0.0560 49 ALA A C     
340  O O     . ALA A 51 ? 0.7554 0.7335 0.8002 0.1212  -0.1035 -0.0339 49 ALA A O     
341  C CB    . ALA A 51 ? 0.6181 0.7145 0.6595 0.0694  -0.0656 -0.0523 49 ALA A CB    
342  N N     . SER A 52 ? 0.6438 0.7300 0.7402 0.1428  -0.1024 -0.0707 50 SER A N     
343  C CA    . SER A 52 ? 0.6992 0.7765 0.8068 0.1788  -0.1268 -0.0648 50 SER A CA    
344  C C     . SER A 52 ? 0.7458 0.7912 0.8809 0.2042  -0.1276 -0.0811 50 SER A C     
345  O O     . SER A 52 ? 0.7788 0.8145 0.9303 0.2405  -0.1478 -0.0795 50 SER A O     
346  C CB    . SER A 52 ? 0.6351 0.7867 0.7765 0.1919  -0.1362 -0.0792 50 SER A CB    
347  O OG    . SER A 52 ? 0.7573 0.9339 0.8698 0.1734  -0.1401 -0.0700 50 SER A OG    
348  N N     . LYS A 53 ? 0.7037 0.7357 0.8432 0.1887  -0.1076 -0.0997 51 LYS A N     
349  C CA    . LYS A 53 ? 0.6892 0.6984 0.8504 0.2126  -0.1047 -0.1250 51 LYS A CA    
350  C C     . LYS A 53 ? 0.6233 0.7003 0.8308 0.2424  -0.1003 -0.1476 51 LYS A C     
351  O O     . LYS A 53 ? 0.5981 0.6645 0.8286 0.2775  -0.1045 -0.1648 51 LYS A O     
352  C CB    . LYS A 53 ? 0.8028 0.7256 0.9496 0.2330  -0.1244 -0.1132 51 LYS A CB    
353  C CG    . LYS A 53 ? 0.8779 0.7261 0.9874 0.1981  -0.1235 -0.0936 51 LYS A CG    
354  C CD    . LYS A 53 ? 0.9050 0.7412 0.9790 0.1800  -0.1313 -0.0501 51 LYS A CD    
355  N N     . GLN A 54 ? 0.5400 0.6870 0.7652 0.2279  -0.0903 -0.1489 52 GLN A N     
356  C CA    . GLN A 54 ? 0.5515 0.7704 0.8288 0.2471  -0.0815 -0.1679 52 GLN A CA    
357  C C     . GLN A 54 ? 0.4652 0.7132 0.7493 0.2360  -0.0497 -0.1879 52 GLN A C     
358  O O     . GLN A 54 ? 0.4155 0.7071 0.7355 0.2564  -0.0345 -0.2068 52 GLN A O     
359  C CB    . GLN A 54 ? 0.5367 0.8131 0.8366 0.2372  -0.0920 -0.1590 52 GLN A CB    
360  C CG    . GLN A 54 ? 0.7029 0.9662 0.9964 0.2574  -0.1272 -0.1416 52 GLN A CG    
361  C CD    . GLN A 54 ? 0.7399 1.0717 1.0635 0.2519  -0.1418 -0.1434 52 GLN A CD    
362  O OE1   . GLN A 54 ? 0.8613 1.1842 1.1481 0.2373  -0.1579 -0.1284 52 GLN A OE1   
363  N NE2   . GLN A 54 ? 0.5997 1.0030 0.9909 0.2617  -0.1351 -0.1641 52 GLN A NE2   
364  N N     . VAL A 55 ? 0.4789 0.7073 0.7273 0.2053  -0.0392 -0.1826 53 VAL A N     
365  C CA    . VAL A 55 ? 0.4677 0.7163 0.7089 0.1962  -0.0134 -0.1963 53 VAL A CA    
366  C C     . VAL A 55 ? 0.4921 0.6883 0.6900 0.1819  -0.0157 -0.1993 53 VAL A C     
367  O O     . VAL A 55 ? 0.4828 0.6349 0.6627 0.1700  -0.0320 -0.1866 53 VAL A O     
368  C CB    . VAL A 55 ? 0.3752 0.6682 0.6253 0.1712  0.0002  -0.1865 53 VAL A CB    
369  C CG1   . VAL A 55 ? 0.3988 0.7471 0.7007 0.1767  -0.0008 -0.1855 53 VAL A CG1   
370  C CG2   . VAL A 55 ? 0.4490 0.7165 0.6707 0.1458  -0.0107 -0.1711 53 VAL A CG2   
371  N N     . PHE A 56 ? 0.4863 0.6911 0.6674 0.1818  0.0007  -0.2155 54 PHE A N     
372  C CA    . PHE A 56 ? 0.5666 0.7351 0.7126 0.1658  -0.0048 -0.2224 54 PHE A CA    
373  C C     . PHE A 56 ? 0.5161 0.7176 0.6419 0.1577  0.0115  -0.2262 54 PHE A C     
374  O O     . PHE A 56 ? 0.4478 0.6902 0.5808 0.1674  0.0317  -0.2257 54 PHE A O     
375  C CB    . PHE A 56 ? 0.5971 0.7149 0.7314 0.1828  -0.0150 -0.2469 54 PHE A CB    
376  C CG    . PHE A 56 ? 0.5070 0.6454 0.6337 0.2098  0.0009  -0.2762 54 PHE A CG    
377  C CD1   . PHE A 56 ? 0.5098 0.6825 0.6653 0.2376  0.0139  -0.2808 54 PHE A CD1   
378  C CD2   . PHE A 56 ? 0.5354 0.6655 0.6251 0.2073  0.0027  -0.2995 54 PHE A CD2   
379  C CE1   . PHE A 56 ? 0.5873 0.7773 0.7267 0.2497  0.0322  -0.2927 54 PHE A CE1   
380  C CE2   . PHE A 56 ? 0.5730 0.7207 0.6423 0.2266  0.0182  -0.3173 54 PHE A CE2   
381  C CZ    . PHE A 56 ? 0.5959 0.7718 0.6890 0.2454  0.0352  -0.3106 54 PHE A CZ    
382  N N     . LYS A 57 ? 0.4388 0.6242 0.5410 0.1395  0.0025  -0.2276 55 LYS A N     
383  C CA    . LYS A 57 ? 0.4717 0.6831 0.5492 0.1354  0.0110  -0.2284 55 LYS A CA    
384  C C     . LYS A 57 ? 0.5148 0.7093 0.5594 0.1413  0.0016  -0.2560 55 LYS A C     
385  O O     . LYS A 57 ? 0.5099 0.6660 0.5568 0.1358  -0.0156 -0.2724 55 LYS A O     
386  C CB    . LYS A 57 ? 0.3819 0.6039 0.4646 0.1135  0.0055  -0.2088 55 LYS A CB    
387  C CG    . LYS A 57 ? 0.4620 0.6623 0.5467 0.0945  -0.0129 -0.2130 55 LYS A CG    
388  C CD    . LYS A 57 ? 0.4672 0.6910 0.5606 0.0789  -0.0135 -0.1972 55 LYS A CD    
389  C CE    . LYS A 57 ? 0.5190 0.7348 0.6236 0.0568  -0.0259 -0.2001 55 LYS A CE    
390  N NZ    . LYS A 57 ? 0.5458 0.7959 0.6614 0.0478  -0.0247 -0.1912 55 LYS A NZ    
391  N N     . THR A 58 ? 0.4978 0.7182 0.5090 0.1521  0.0123  -0.2609 56 THR A N     
392  C CA    . THR A 58 ? 0.5066 0.7202 0.4776 0.1574  -0.0014 -0.2879 56 THR A CA    
393  C C     . THR A 58 ? 0.5774 0.8162 0.5304 0.1481  -0.0080 -0.2713 56 THR A C     
394  O O     . THR A 58 ? 0.4757 0.7350 0.4314 0.1479  0.0077  -0.2424 56 THR A O     
395  C CB    . THR A 58 ? 0.5595 0.7817 0.4934 0.1828  0.0144  -0.3052 56 THR A CB    
396  O OG1   . THR A 58 ? 0.6667 0.9250 0.5868 0.1882  0.0415  -0.2770 56 THR A OG1   
397  C CG2   . THR A 58 ? 0.6008 0.7986 0.5599 0.1952  0.0197  -0.3178 56 THR A CG2   
398  N N     . VAL A 59 ? 0.6600 0.8964 0.6000 0.1406  -0.0335 -0.2905 57 VAL A N     
399  C CA    . VAL A 59 ? 0.5655 0.8301 0.4945 0.1373  -0.0452 -0.2770 57 VAL A CA    
400  C C     . VAL A 59 ? 0.6291 0.9062 0.5071 0.1515  -0.0646 -0.3031 57 VAL A C     
401  O O     . VAL A 59 ? 0.6090 0.8683 0.4763 0.1519  -0.0784 -0.3393 57 VAL A O     
402  C CB    . VAL A 59 ? 0.6114 0.8802 0.5890 0.1117  -0.0617 -0.2721 57 VAL A CB    
403  C CG1   . VAL A 59 ? 0.5855 0.8509 0.5984 0.1022  -0.0433 -0.2427 57 VAL A CG1   
404  C CG2   . VAL A 59 ? 0.7154 0.9591 0.7141 0.0930  -0.0800 -0.3014 57 VAL A CG2   
405  N N     . LYS A 63 ? 0.8149 1.1853 0.7674 0.1664  -0.0934 -0.1901 61 LYS A N     
406  C CA    . LYS A 63 ? 0.8686 1.2142 0.8117 0.1532  -0.0739 -0.1991 61 LYS A CA    
407  C C     . LYS A 63 ? 0.8872 1.2092 0.7893 0.1651  -0.0460 -0.1751 61 LYS A C     
408  O O     . LYS A 63 ? 1.0172 1.3370 0.8700 0.1767  -0.0411 -0.1823 61 LYS A O     
409  C CB    . LYS A 63 ? 0.7492 1.0856 0.7467 0.1283  -0.0616 -0.2015 61 LYS A CB    
410  C CG    . LYS A 63 ? 0.7153 1.0743 0.7576 0.1083  -0.0797 -0.2214 61 LYS A CG    
411  C CD    . LYS A 63 ? 0.4983 0.8435 0.5788 0.0861  -0.0634 -0.2151 61 LYS A CD    
412  N N     . ARG A 64 ? 0.8198 1.1272 0.7442 0.1609  -0.0269 -0.1487 62 ARG A N     
413  C CA    . ARG A 64 ? 0.7034 0.9926 0.6190 0.1582  0.0046  -0.1296 62 ARG A CA    
414  C C     . ARG A 64 ? 0.5147 0.8057 0.4431 0.1492  0.0142  -0.1521 62 ARG A C     
415  O O     . ARG A 64 ? 0.5429 0.8378 0.4342 0.1600  0.0205  -0.1642 62 ARG A O     
416  C CB    . ARG A 64 ? 0.8344 1.1169 0.6889 0.1758  0.0170  -0.1054 62 ARG A CB    
417  C CG    . ARG A 64 ? 0.8326 1.1042 0.6881 0.1673  0.0550  -0.0823 62 ARG A CG    
418  C CD    . ARG A 64 ? 0.7211 0.9741 0.6293 0.1505  0.0640  -0.0644 62 ARG A CD    
419  N NE    . ARG A 64 ? 0.7929 1.0221 0.6914 0.1600  0.0510  -0.0424 62 ARG A NE    
420  C CZ    . ARG A 64 ? 0.7842 0.9821 0.6620 0.1615  0.0672  -0.0062 62 ARG A CZ    
421  N NH1   . ARG A 64 ? 0.8050 1.0000 0.6731 0.1490  0.1008  0.0130  62 ARG A NH1   
422  N NH2   . ARG A 64 ? 0.7669 0.9361 0.6377 0.1755  0.0507  0.0114  62 ARG A NH2   
423  N N     . PRO A 65 ? 0.4910 0.7778 0.4684 0.1329  0.0135  -0.1591 63 PRO A N     
424  C CA    . PRO A 65 ? 0.4634 0.7448 0.4567 0.1286  0.0202  -0.1758 63 PRO A CA    
425  C C     . PRO A 65 ? 0.4814 0.7688 0.4727 0.1349  0.0483  -0.1655 63 PRO A C     
426  O O     . PRO A 65 ? 0.4637 0.7542 0.4622 0.1306  0.0641  -0.1413 63 PRO A O     
427  C CB    . PRO A 65 ? 0.4416 0.7170 0.4806 0.1115  0.0136  -0.1743 63 PRO A CB    
428  C CG    . PRO A 65 ? 0.4676 0.7487 0.5167 0.1077  0.0123  -0.1573 63 PRO A CG    
429  C CD    . PRO A 65 ? 0.4285 0.7162 0.4438 0.1214  0.0042  -0.1535 63 PRO A CD    
430  N N     . VAL A 66 ? 0.4735 0.7630 0.4591 0.1449  0.0550  -0.1854 64 VAL A N     
431  C CA    . VAL A 66 ? 0.4459 0.7546 0.4418 0.1521  0.0839  -0.1804 64 VAL A CA    
432  C C     . VAL A 66 ? 0.4909 0.7967 0.5330 0.1526  0.0791  -0.1948 64 VAL A C     
433  O O     . VAL A 66 ? 0.4637 0.7463 0.5030 0.1576  0.0603  -0.2165 64 VAL A O     
434  C CB    . VAL A 66 ? 0.5428 0.8648 0.4871 0.1728  0.0997  -0.1938 64 VAL A CB    
435  C CG1   . VAL A 66 ? 0.5436 0.8934 0.5087 0.1769  0.1341  -0.1863 64 VAL A CG1   
436  C CG2   . VAL A 66 ? 0.5266 0.8480 0.4130 0.1763  0.0985  -0.1764 64 VAL A CG2   
437  N N     . TRP A 67 ? 0.3779 0.7049 0.4637 0.1470  0.0935  -0.1821 65 TRP A N     
438  C CA    . TRP A 67 ? 0.4565 0.7827 0.5868 0.1495  0.0825  -0.1908 65 TRP A CA    
439  C C     . TRP A 67 ? 0.4316 0.7795 0.5832 0.1637  0.0989  -0.1966 65 TRP A C     
440  O O     . TRP A 67 ? 0.4200 0.7945 0.5664 0.1634  0.1259  -0.1879 65 TRP A O     
441  C CB    . TRP A 67 ? 0.3982 0.7300 0.5651 0.1301  0.0752  -0.1729 65 TRP A CB    
442  C CG    . TRP A 67 ? 0.3866 0.6926 0.5349 0.1150  0.0582  -0.1646 65 TRP A CG    
443  C CD1   . TRP A 67 ? 0.3708 0.6736 0.5011 0.1060  0.0628  -0.1513 65 TRP A CD1   
444  C CD2   . TRP A 67 ? 0.3309 0.6133 0.4786 0.1091  0.0358  -0.1682 65 TRP A CD2   
445  N NE1   . TRP A 67 ? 0.3085 0.5949 0.4332 0.0976  0.0445  -0.1510 65 TRP A NE1   
446  C CE2   . TRP A 67 ? 0.3261 0.6024 0.4605 0.0966  0.0303  -0.1604 65 TRP A CE2   
447  C CE3   . TRP A 67 ? 0.3482 0.6124 0.5044 0.1142  0.0212  -0.1747 65 TRP A CE3   
448  C CZ2   . TRP A 67 ? 0.3546 0.6179 0.4873 0.0862  0.0153  -0.1607 65 TRP A CZ2   
449  C CZ3   . TRP A 67 ? 0.2945 0.5360 0.4422 0.1012  0.0058  -0.1696 65 TRP A CZ3   
450  C CH2   . TRP A 67 ? 0.3029 0.5493 0.4406 0.0860  0.0052  -0.1636 65 TRP A CH2   
451  N N     . ASN A 68 ? 0.3828 0.7181 0.5584 0.1766  0.0830  -0.2091 66 ASN A N     
452  C CA    . ASN A 68 ? 0.4076 0.7638 0.6119 0.1932  0.0935  -0.2150 66 ASN A CA    
453  C C     . ASN A 68 ? 0.4030 0.7449 0.6410 0.2067  0.0679  -0.2211 66 ASN A C     
454  O O     . ASN A 68 ? 0.4060 0.7140 0.6348 0.2049  0.0450  -0.2233 66 ASN A O     
455  C CB    . ASN A 68 ? 0.4637 0.8090 0.6307 0.2121  0.1058  -0.2338 66 ASN A CB    
456  C CG    . ASN A 68 ? 0.5561 0.9406 0.7513 0.2262  0.1306  -0.2363 66 ASN A CG    
457  O OD1   . ASN A 68 ? 0.4856 0.9063 0.7345 0.2220  0.1352  -0.2249 66 ASN A OD1   
458  N ND2   . ASN A 68 ? 0.5851 0.9664 0.7459 0.2431  0.1460  -0.2535 66 ASN A ND2   
459  N N     . LEU A 69 ? 0.4184 0.7885 0.6961 0.2219  0.0722  -0.2232 67 LEU A N     
460  C CA    . LEU A 69 ? 0.4360 0.7961 0.7454 0.2409  0.0456  -0.2262 67 LEU A CA    
461  C C     . LEU A 69 ? 0.5191 0.8204 0.8055 0.2676  0.0281  -0.2442 67 LEU A C     
462  O O     . LEU A 69 ? 0.5319 0.8127 0.7880 0.2761  0.0399  -0.2614 67 LEU A O     
463  C CB    . LEU A 69 ? 0.4363 0.8499 0.7992 0.2523  0.0541  -0.2250 67 LEU A CB    
464  C CG    . LEU A 69 ? 0.3972 0.8632 0.8039 0.2284  0.0563  -0.2093 67 LEU A CG    
465  C CD1   . LEU A 69 ? 0.4606 0.9841 0.9260 0.2405  0.0646  -0.2124 67 LEU A CD1   
466  C CD2   . LEU A 69 ? 0.4737 0.9226 0.8823 0.2214  0.0227  -0.2015 67 LEU A CD2   
467  N N     . VAL A 70 ? 0.6425 0.9141 0.9428 0.2815  -0.0015 -0.2396 68 VAL A N     
468  C CA    . VAL A 70 ? 0.7252 0.9279 1.0125 0.3094  -0.0229 -0.2514 68 VAL A CA    
469  C C     . VAL A 70 ? 0.8620 1.0023 1.1046 0.3011  -0.0243 -0.2675 68 VAL A C     
470  O O     . VAL A 70 ? 0.9928 1.0809 1.2141 0.2828  -0.0425 -0.2533 68 VAL A O     
471  C CB    . VAL A 70 ? 0.7204 0.9300 1.0301 0.3421  -0.0187 -0.2649 68 VAL A CB    
472  C CG1   . VAL A 70 ? 0.7530 1.0423 1.1129 0.3438  -0.0095 -0.2548 68 VAL A CG1   
473  C CG2   . VAL A 70 ? 0.7198 0.9194 1.0010 0.3463  0.0043  -0.2900 68 VAL A CG2   
474  N N     . GLU B 9  ? 0.7509 0.8747 0.6894 0.0724  0.1045  -0.2440 7  GLU B N     
475  C CA    . GLU B 9  ? 0.7528 0.9376 0.8071 0.1013  0.1049  -0.2630 7  GLU B CA    
476  C C     . GLU B 9  ? 0.7363 0.8694 0.7882 0.1393  0.0852  -0.2512 7  GLU B C     
477  O O     . GLU B 9  ? 0.7089 0.7988 0.7186 0.1511  0.0516  -0.2191 7  GLU B O     
478  C CB    . GLU B 9  ? 0.6697 0.9518 0.8350 0.1177  0.0692  -0.2540 7  GLU B CB    
479  C CG    . GLU B 9  ? 0.7730 1.1545 1.0481 0.1130  0.0956  -0.3008 7  GLU B CG    
480  C CD    . GLU B 9  ? 0.8710 1.2520 1.1957 0.1369  0.1231  -0.3350 7  GLU B CD    
481  O OE1   . GLU B 9  ? 0.8370 1.2265 1.2283 0.1866  0.0879  -0.3255 7  GLU B OE1   
482  O OE2   . GLU B 9  ? 0.9557 1.3177 1.2429 0.1045  0.1814  -0.3719 7  GLU B OE2   
483  N N     . ASN B 10 ? 0.7732 0.9138 0.8732 0.1547  0.1098  -0.2823 8  ASN B N     
484  C CA    . ASN B 10 ? 0.7675 0.8647 0.8792 0.1898  0.0931  -0.2770 8  ASN B CA    
485  C C     . ASN B 10 ? 0.5852 0.7072 0.7665 0.2236  0.0428  -0.2455 8  ASN B C     
486  O O     . ASN B 10 ? 0.6148 0.6824 0.7719 0.2396  0.0194  -0.2243 8  ASN B O     
487  C CB    . ASN B 10 ? 0.8636 0.9682 1.0190 0.1985  0.1305  -0.3175 8  ASN B CB    
488  C CG    . ASN B 10 ? 0.9570 0.9965 1.0048 0.1589  0.1732  -0.3258 8  ASN B CG    
489  O OD1   . ASN B 10 ? 0.9848 1.0032 0.9560 0.1252  0.1874  -0.3215 8  ASN B OD1   
490  N ND2   . ASN B 10 ? 0.9994 0.9963 1.0289 0.1653  0.1881  -0.3321 8  ASN B ND2   
491  N N     . GLU B 11 ? 0.5269 0.7270 0.7883 0.2320  0.0260  -0.2447 9  GLU B N     
492  C CA    . GLU B 11 ? 0.5818 0.7917 0.8927 0.2664  -0.0259 -0.2134 9  GLU B CA    
493  C C     . GLU B 11 ? 0.5468 0.7043 0.7788 0.2522  -0.0548 -0.1674 9  GLU B C     
494  O O     . GLU B 11 ? 0.5257 0.6324 0.7465 0.2707  -0.0817 -0.1416 9  GLU B O     
495  C CB    . GLU B 11 ? 0.6048 0.9113 1.0077 0.2791  -0.0457 -0.2244 9  GLU B CB    
496  C CG    . GLU B 11 ? 0.7869 1.0934 1.2482 0.3306  -0.0998 -0.2042 9  GLU B CG    
497  C CD    . GLU B 11 ? 0.9668 1.3153 1.4379 0.3325  -0.1461 -0.1775 9  GLU B CD    
498  O OE1   . GLU B 11 ? 1.0254 1.3935 1.4495 0.2902  -0.1354 -0.1691 9  GLU B OE1   
499  O OE2   . GLU B 11 ? 1.0355 1.3761 1.5346 0.3645  -0.1882 -0.1587 9  GLU B OE2   
500  N N     . ILE B 12 ? 0.5014 0.6667 0.6752 0.2167  -0.0454 -0.1609 10 ILE B N     
501  C CA    . ILE B 12 ? 0.4762 0.5993 0.5778 0.2020  -0.0666 -0.1263 10 ILE B CA    
502  C C     . ILE B 12 ? 0.5471 0.5994 0.6001 0.2055  -0.0619 -0.1250 10 ILE B C     
503  O O     . ILE B 12 ? 0.4922 0.5124 0.5274 0.2077  -0.0843 -0.1004 10 ILE B O     
504  C CB    . ILE B 12 ? 0.5567 0.6864 0.5936 0.1661  -0.0521 -0.1277 10 ILE B CB    
505  C CG1   . ILE B 12 ? 0.5681 0.7723 0.6514 0.1533  -0.0536 -0.1346 10 ILE B CG1   
506  C CG2   . ILE B 12 ? 0.5531 0.6468 0.5263 0.1560  -0.0739 -0.0985 10 ILE B CG2   
507  C CD1   . ILE B 12 ? 0.6094 0.8439 0.7205 0.1639  -0.0984 -0.1034 10 ILE B CD1   
508  N N     . GLU B 13 ? 0.5020 0.5289 0.5290 0.2022  -0.0314 -0.1549 11 GLU B N     
509  C CA    . GLU B 13 ? 0.5168 0.4838 0.4993 0.2058  -0.0303 -0.1612 11 GLU B CA    
510  C C     . GLU B 13 ? 0.5346 0.4794 0.5656 0.2287  -0.0430 -0.1561 11 GLU B C     
511  O O     . GLU B 13 ? 0.5801 0.4869 0.5884 0.2254  -0.0556 -0.1469 11 GLU B O     
512  C CB    . GLU B 13 ? 0.7132 0.6473 0.6418 0.1989  0.0009  -0.1948 11 GLU B CB    
513  C CG    . GLU B 13 ? 0.7284 0.6378 0.5657 0.1786  0.0021  -0.1942 11 GLU B CG    
514  C CD    . GLU B 13 ? 0.7912 0.6597 0.5759 0.1499  0.0302  -0.2007 11 GLU B CD    
515  O OE1   . GLU B 13 ? 0.8106 0.6638 0.6133 0.1522  0.0483  -0.2156 11 GLU B OE1   
516  O OE2   . GLU B 13 ? 0.8304 0.6813 0.5602 0.1232  0.0339  -0.1903 11 GLU B OE2   
517  N N     . MET B 14 ? 0.5489 0.5179 0.6485 0.2512  -0.0393 -0.1657 12 MET B N     
518  C CA    . MET B 14 ? 0.5905 0.5268 0.7319 0.2787  -0.0549 -0.1593 12 MET B CA    
519  C C     . MET B 14 ? 0.7008 0.6121 0.8267 0.2761  -0.0894 -0.1179 12 MET B C     
520  O O     . MET B 14 ? 0.6281 0.4785 0.7322 0.2744  -0.0960 -0.1082 12 MET B O     
521  C CB    . MET B 14 ? 0.5990 0.5781 0.8241 0.3105  -0.0528 -0.1781 12 MET B CB    
522  C CG    . MET B 14 ? 0.6538 0.5888 0.9078 0.3343  -0.0666 -0.1674 12 MET B CG    
523  S SD    . MET B 14 ? 0.7923 0.7960 1.1404 0.3648  -0.0680 -0.1855 12 MET B SD    
524  C CE    . MET B 14 ? 0.7379 0.7905 1.0942 0.3410  -0.0110 -0.2355 12 MET B CE    
525  N N     . ARG B 15 ? 0.5746 0.5286 0.7045 0.2706  -0.1082 -0.0958 13 ARG B N     
526  C CA    . ARG B 15 ? 0.6101 0.5343 0.7133 0.2666  -0.1399 -0.0559 13 ARG B CA    
527  C C     . ARG B 15 ? 0.5916 0.4815 0.6280 0.2310  -0.1319 -0.0461 13 ARG B C     
528  O O     . ARG B 15 ? 0.6349 0.4712 0.6409 0.2209  -0.1429 -0.0238 13 ARG B O     
529  C CB    . ARG B 15 ? 0.5874 0.5685 0.7066 0.2684  -0.1635 -0.0389 13 ARG B CB    
530  C CG    . ARG B 15 ? 0.6007 0.6326 0.8023 0.3066  -0.1782 -0.0550 13 ARG B CG    
531  C CD    . ARG B 15 ? 0.6523 0.7553 0.8738 0.3025  -0.2009 -0.0472 13 ARG B CD    
532  N NE    . ARG B 15 ? 0.6785 0.7413 0.8485 0.3009  -0.2406 -0.0037 13 ARG B NE    
533  C CZ    . ARG B 15 ? 0.7054 0.8051 0.8503 0.2801  -0.2565 0.0118  13 ARG B CZ    
534  N NH1   . ARG B 15 ? 0.5514 0.7275 0.7199 0.2580  -0.2358 -0.0128 13 ARG B NH1   
535  N NH2   . ARG B 15 ? 0.6600 0.7110 0.7462 0.2771  -0.2899 0.0510  13 ARG B NH2   
536  N N     . ILE B 16 ? 0.5500 0.4673 0.5605 0.2116  -0.1123 -0.0662 14 ILE B N     
537  C CA    . ILE B 16 ? 0.5382 0.4380 0.4988 0.1849  -0.1076 -0.0678 14 ILE B CA    
538  C C     . ILE B 16 ? 0.6303 0.4822 0.5909 0.1835  -0.0989 -0.0845 14 ILE B C     
539  O O     . ILE B 16 ? 0.6668 0.4918 0.6076 0.1620  -0.1008 -0.0765 14 ILE B O     
540  C CB    . ILE B 16 ? 0.4981 0.4259 0.4245 0.1749  -0.0955 -0.0892 14 ILE B CB    
541  C CG1   . ILE B 16 ? 0.5688 0.5368 0.4860 0.1662  -0.1028 -0.0719 14 ILE B CG1   
542  C CG2   . ILE B 16 ? 0.5207 0.4363 0.4099 0.1587  -0.0952 -0.1031 14 ILE B CG2   
543  C CD1   . ILE B 16 ? 0.5787 0.5563 0.4495 0.1568  -0.0896 -0.0912 14 ILE B CD1   
544  N N     . CYS B 17 ? 0.6115 0.4524 0.5931 0.2022  -0.0860 -0.1111 15 CYS B N     
545  C CA    . CYS B 17 ? 0.6687 0.4635 0.6516 0.2009  -0.0780 -0.1315 15 CYS B CA    
546  C C     . CYS B 17 ? 0.6661 0.4060 0.6620 0.2031  -0.0870 -0.1081 15 CYS B C     
547  O O     . CYS B 17 ? 0.7013 0.3992 0.6795 0.1806  -0.0822 -0.1123 15 CYS B O     
548  C CB    . CYS B 17 ? 0.6322 0.4216 0.6261 0.2205  -0.0612 -0.1656 15 CYS B CB    
549  S SG    . CYS B 17 ? 0.7300 0.5486 0.6708 0.2085  -0.0512 -0.1890 15 CYS B SG    
550  N N     . ASP B 18 ? 0.6881 0.4251 0.7107 0.2294  -0.1012 -0.0859 16 ASP B N     
551  C CA    . ASP B 18 ? 0.7680 0.4335 0.7848 0.2390  -0.1175 -0.0593 16 ASP B CA    
552  C C     . ASP B 18 ? 0.7978 0.4312 0.7587 0.2020  -0.1243 -0.0289 16 ASP B C     
553  O O     . ASP B 18 ? 0.8750 0.4280 0.8016 0.1844  -0.1212 -0.0186 16 ASP B O     
554  C CB    . ASP B 18 ? 0.7888 0.4682 0.8467 0.2825  -0.1415 -0.0450 16 ASP B CB    
555  C CG    . ASP B 18 ? 0.9873 0.5755 1.0221 0.3014  -0.1680 -0.0145 16 ASP B CG    
556  O OD1   . ASP B 18 ? 1.0940 0.6229 1.1441 0.3263  -0.1661 -0.0275 16 ASP B OD1   
557  O OD2   . ASP B 18 ? 0.9668 0.5320 0.9577 0.2918  -0.1914 0.0224  16 ASP B OD2   
558  N N     . TYR B 19 ? 0.7467 0.4370 0.6924 0.1857  -0.1292 -0.0171 17 TYR B N     
559  C CA    . TYR B 19 ? 0.7735 0.4416 0.6650 0.1457  -0.1284 0.0047  17 TYR B CA    
560  C C     . TYR B 19 ? 0.8390 0.4940 0.7174 0.1074  -0.1016 -0.0240 17 TYR B C     
561  O O     . TYR B 19 ? 0.8453 0.4416 0.6840 0.0728  -0.0917 -0.0132 17 TYR B O     
562  C CB    . TYR B 19 ? 0.7144 0.4513 0.5938 0.1349  -0.1351 0.0142  17 TYR B CB    
563  C CG    . TYR B 19 ? 0.8088 0.5223 0.6307 0.0925  -0.1303 0.0334  17 TYR B CG    
564  C CD1   . TYR B 19 ? 0.7413 0.4771 0.5540 0.0555  -0.1051 0.0056  17 TYR B CD1   
565  C CD2   . TYR B 19 ? 0.8668 0.5354 0.6419 0.0899  -0.1512 0.0750  17 TYR B CD2   
566  C CE1   . TYR B 19 ? 0.7652 0.4862 0.5309 0.0123  -0.0929 0.0158  17 TYR B CE1   
567  C CE2   . TYR B 19 ? 0.8972 0.5358 0.6076 0.0455  -0.1405 0.0909  17 TYR B CE2   
568  C CZ    . TYR B 19 ? 0.8547 0.5226 0.5640 0.0043  -0.1073 0.0598  17 TYR B CZ    
569  O OH    . TYR B 19 ? 0.9522 0.5976 0.6026 -0.0441 -0.0894 0.0687  17 TYR B OH    
570  N N     . LEU B 20 ? 0.7110 0.4193 0.6184 0.1118  -0.0903 -0.0634 18 LEU B N     
571  C CA    . LEU B 20 ? 0.7078 0.4233 0.6155 0.0815  -0.0721 -0.1006 18 LEU B CA    
572  C C     . LEU B 20 ? 0.7787 0.4223 0.6900 0.0730  -0.0607 -0.1117 18 LEU B C     
573  O O     . LEU B 20 ? 0.8599 0.4847 0.7612 0.0319  -0.0433 -0.1300 18 LEU B O     
574  C CB    . LEU B 20 ? 0.6395 0.4166 0.5650 0.0983  -0.0727 -0.1399 18 LEU B CB    
575  C CG    . LEU B 20 ? 0.5832 0.4197 0.4927 0.1005  -0.0811 -0.1361 18 LEU B CG    
576  C CD1   . LEU B 20 ? 0.5508 0.4182 0.4554 0.1223  -0.0852 -0.1722 18 LEU B CD1   
577  C CD2   . LEU B 20 ? 0.5853 0.4450 0.4806 0.0638  -0.0753 -0.1384 18 LEU B CD2   
578  N N     . ARG B 21 ? 0.8032 0.4086 0.7312 0.1097  -0.0680 -0.1051 19 ARG B N     
579  C CA    . ARG B 21 ? 0.8801 0.4059 0.8077 0.1079  -0.0587 -0.1156 19 ARG B CA    
580  C C     . ARG B 21 ? 0.9826 0.4170 0.8596 0.0791  -0.0567 -0.0812 19 ARG B C     
581  O O     . ARG B 21 ? 1.0545 0.4243 0.9103 0.0446  -0.0377 -0.0954 19 ARG B O     
582  C CB    . ARG B 21 ? 0.8879 0.3965 0.8466 0.1594  -0.0676 -0.1171 19 ARG B CB    
583  C CG    . ARG B 21 ? 0.9517 0.3921 0.9168 0.1630  -0.0551 -0.1435 19 ARG B CG    
584  C CD    . ARG B 21 ? 0.9418 0.3910 0.9467 0.2133  -0.0574 -0.1588 19 ARG B CD    
585  N NE    . ARG B 21 ? 1.0174 0.5456 1.0395 0.2180  -0.0471 -0.1915 19 ARG B NE    
586  C CZ    . ARG B 21 ? 0.9905 0.5879 1.0310 0.2366  -0.0474 -0.1845 19 ARG B CZ    
587  N NH1   . ARG B 21 ? 0.9779 0.5837 1.0397 0.2622  -0.0642 -0.1569 19 ARG B NH1   
588  N NH2   . ARG B 21 ? 0.9283 0.5812 0.9592 0.2264  -0.0319 -0.2044 19 ARG B NH2   
589  N N     . ARG B 22 ? 1.0183 0.4428 0.8669 0.0893  -0.0758 -0.0377 20 ARG B N     
590  C CA    . ARG B 22 ? 1.1794 0.4992 0.9556 0.0655  -0.0788 0.0018  20 ARG B CA    
591  C C     . ARG B 22 ? 1.1902 0.5150 0.9228 -0.0021 -0.0521 -0.0017 20 ARG B C     
592  O O     . ARG B 22 ? 1.3034 0.5288 0.9725 -0.0450 -0.0336 0.0096  20 ARG B O     
593  C CB    . ARG B 22 ? 1.2193 0.5260 0.9763 0.1065  -0.1164 0.0471  20 ARG B CB    
594  C CG    . ARG B 22 ? 1.2416 0.5036 1.0259 0.1702  -0.1445 0.0550  20 ARG B CG    
595  C CD    . ARG B 22 ? 1.3682 0.6721 1.1687 0.2165  -0.1854 0.0823  20 ARG B CD    
596  N NE    . ARG B 22 ? 1.5738 0.8417 1.2966 0.1918  -0.2013 0.1234  20 ARG B NE    
597  C CZ    . ARG B 22 ? 1.5762 0.9309 1.3068 0.1857  -0.2114 0.1321  20 ARG B CZ    
598  N NH1   . ARG B 22 ? 1.3992 0.8760 1.2079 0.2009  -0.2064 0.1041  20 ARG B NH1   
599  N NH2   . ARG B 22 ? 1.6732 0.9823 1.3223 0.1615  -0.2248 0.1686  20 ARG B NH2   
600  N N     . HIS B 23 ? 1.0559 0.4915 0.8189 -0.0132 -0.0474 -0.0202 21 HIS B N     
601  C CA    . HIS B 23 ? 1.0411 0.4974 0.7704 -0.0712 -0.0237 -0.0252 21 HIS B CA    
602  C C     . HIS B 23 ? 1.0084 0.5468 0.7868 -0.1056 0.0033  -0.0854 21 HIS B C     
603  O O     . HIS B 23 ? 1.0536 0.6053 0.8138 -0.1608 0.0312  -0.1016 21 HIS B O     
604  C CB    . HIS B 23 ? 0.9961 0.5075 0.7099 -0.0598 -0.0418 0.0016  21 HIS B CB    
605  C CG    . HIS B 23 ? 1.1057 0.5415 0.7638 -0.0347 -0.0714 0.0574  21 HIS B CG    
606  N ND1   . HIS B 23 ? 1.2725 0.6100 0.8370 -0.0707 -0.0664 0.0931  21 HIS B ND1   
607  C CD2   . HIS B 23 ? 1.1108 0.5550 0.7916 0.0233  -0.1085 0.0797  21 HIS B CD2   
608  C CE1   . HIS B 23 ? 1.3480 0.6325 0.8761 -0.0292 -0.1068 0.1372  21 HIS B CE1   
609  N NE2   . HIS B 23 ? 1.2533 0.6106 0.8608 0.0285  -0.1329 0.1270  21 HIS B NE2   
610  N N     . GLY B 24 ? 1.1159 0.4014 0.8238 -0.1400 0.0270  0.0381  22 GLY B N     
611  C CA    . GLY B 24 ? 1.0565 0.4242 0.8224 -0.1714 0.0344  -0.0025 22 GLY B CA    
612  C C     . GLY B 24 ? 0.9243 0.4144 0.7440 -0.1605 0.0321  -0.0212 22 GLY B C     
613  O O     . GLY B 24 ? 0.9010 0.4150 0.7234 -0.1164 0.0197  -0.0098 22 GLY B O     
614  N N     . ARG B 25 ? 0.8630 0.4320 0.7287 -0.2005 0.0440  -0.0544 23 ARG B N     
615  C CA    . ARG B 25 ? 0.8416 0.5282 0.7645 -0.1888 0.0402  -0.0804 23 ARG B CA    
616  C C     . ARG B 25 ? 0.7680 0.4709 0.6644 -0.1712 0.0478  -0.0520 23 ARG B C     
617  O O     . ARG B 25 ? 0.8152 0.4781 0.6621 -0.2023 0.0698  -0.0253 23 ARG B O     
618  C CB    . ARG B 25 ? 0.9209 0.6893 0.8985 -0.2426 0.0593  -0.1211 23 ARG B CB    
619  C CG    . ARG B 25 ? 0.9513 0.7544 0.9851 -0.2462 0.0376  -0.1665 23 ARG B CG    
620  C CD    . ARG B 25 ? 1.0797 0.9631 1.1739 -0.3089 0.0606  -0.2108 23 ARG B CD    
621  N NE    . ARG B 25 ? 1.1256 1.1101 1.2623 -0.3228 0.0831  -0.2285 23 ARG B NE    
622  C CZ    . ARG B 25 ? 1.0512 1.1521 1.2691 -0.2949 0.0632  -0.2728 23 ARG B CZ    
623  N NH1   . ARG B 25 ? 1.0300 1.1528 1.2854 -0.2507 0.0154  -0.3014 23 ARG B NH1   
624  N NH2   . ARG B 25 ? 0.9550 1.1418 1.2085 -0.3100 0.0897  -0.2898 23 ARG B NH2   
625  N N     . SER B 26 ? 0.6730 0.4251 0.5915 -0.1246 0.0293  -0.0587 24 SER B N     
626  C CA    . SER B 26 ? 0.7071 0.4740 0.6003 -0.1045 0.0326  -0.0341 24 SER B CA    
627  C C     . SER B 26 ? 0.6063 0.4542 0.5374 -0.0723 0.0204  -0.0591 24 SER B C     
628  O O     . SER B 26 ? 0.5421 0.3990 0.4962 -0.0465 -0.0005 -0.0840 24 SER B O     
629  C CB    . SER B 26 ? 0.7123 0.3991 0.5593 -0.0696 0.0186  0.0007  24 SER B CB    
630  O OG    . SER B 26 ? 0.8151 0.4095 0.6195 -0.0899 0.0233  0.0228  24 SER B OG    
631  N N     . THR B 27 ? 0.5529 0.4466 0.4777 -0.0746 0.0327  -0.0523 25 THR B N     
632  C CA    . THR B 27 ? 0.5342 0.4843 0.4769 -0.0399 0.0211  -0.0697 25 THR B CA    
633  C C     . THR B 27 ? 0.5565 0.4633 0.4591 -0.0056 0.0098  -0.0428 25 THR B C     
634  O O     . THR B 27 ? 0.5241 0.3721 0.3944 -0.0068 0.0097  -0.0123 25 THR B O     
635  C CB    . THR B 27 ? 0.5378 0.5588 0.4923 -0.0584 0.0422  -0.0791 25 THR B CB    
636  O OG1   . THR B 27 ? 0.6244 0.6090 0.5233 -0.0764 0.0585  -0.0404 25 THR B OG1   
637  C CG2   . THR B 27 ? 0.5528 0.6351 0.5615 -0.0974 0.0601  -0.1152 25 THR B CG2   
638  N N     . VAL B 28 ? 0.5086 0.4434 0.4127 0.0248  -0.0003 -0.0575 26 VAL B N     
639  C CA    . VAL B 28 ? 0.5242 0.4340 0.3990 0.0512  -0.0063 -0.0414 26 VAL B CA    
640  C C     . VAL B 28 ? 0.5642 0.4754 0.4131 0.0412  0.0019  -0.0095 26 VAL B C     
641  O O     . VAL B 28 ? 0.5504 0.4294 0.3820 0.0577  -0.0072 0.0096  26 VAL B O     
642  C CB    . VAL B 28 ? 0.4553 0.3900 0.3230 0.0754  -0.0128 -0.0658 26 VAL B CB    
643  C CG1   . VAL B 28 ? 0.4330 0.4283 0.3043 0.0687  -0.0031 -0.0722 26 VAL B CG1   
644  C CG2   . VAL B 28 ? 0.5035 0.4091 0.3458 0.0952  -0.0147 -0.0595 26 VAL B CG2   
645  N N     . GLN B 29 ? 0.4611 0.4082 0.3070 0.0134  0.0181  -0.0075 27 GLN B N     
646  C CA    . GLN B 29 ? 0.6525 0.5890 0.4552 -0.0035 0.0264  0.0225  27 GLN B CA    
647  C C     . GLN B 29 ? 0.6964 0.5535 0.4609 -0.0075 0.0165  0.0564  27 GLN B C     
648  O O     . GLN B 29 ? 0.6964 0.5255 0.4286 0.0120  -0.0005 0.0799  27 GLN B O     
649  C CB    . GLN B 29 ? 0.6822 0.6602 0.4863 -0.0441 0.0543  0.0117  27 GLN B CB    
650  C CG    . GLN B 29 ? 0.6500 0.7061 0.4985 -0.0333 0.0601  -0.0273 27 GLN B CG    
651  C CD    . GLN B 29 ? 0.6607 0.7363 0.4829 -0.0121 0.0562  -0.0228 27 GLN B CD    
652  O OE1   . GLN B 29 ? 0.7177 0.7755 0.4922 -0.0241 0.0611  0.0044  27 GLN B OE1   
653  N NE2   . GLN B 29 ? 0.5407 0.6427 0.3833 0.0184  0.0452  -0.0494 27 GLN B NE2   
654  N N     . ASP B 30 ? 0.6447 0.4637 0.4121 -0.0314 0.0243  0.0560  28 ASP B N     
655  C CA    . ASP B 30 ? 0.7479 0.4743 0.4688 -0.0359 0.0150  0.0867  28 ASP B CA    
656  C C     . ASP B 30 ? 0.7352 0.4323 0.4686 0.0138  -0.0136 0.0919  28 ASP B C     
657  O O     . ASP B 30 ? 0.8086 0.4526 0.5043 0.0333  -0.0339 0.1179  28 ASP B O     
658  C CB    . ASP B 30 ? 0.8867 0.5808 0.6165 -0.0702 0.0300  0.0764  28 ASP B CB    
659  C CG    . ASP B 30 ? 0.9930 0.7394 0.7348 -0.1225 0.0631  0.0561  28 ASP B CG    
660  O OD1   . ASP B 30 ? 1.0243 0.7663 0.7176 -0.1514 0.0811  0.0712  28 ASP B OD1   
661  O OD2   . ASP B 30 ? 0.9847 0.7786 0.7852 -0.1351 0.0706  0.0210  28 ASP B OD2   
662  N N     . ILE B 31 ? 0.6114 0.3427 0.3960 0.0345  -0.0157 0.0629  29 ILE B N     
663  C CA    . ILE B 31 ? 0.6497 0.3570 0.4527 0.0733  -0.0325 0.0574  29 ILE B CA    
664  C C     . ILE B 31 ? 0.5942 0.3335 0.3986 0.1022  -0.0460 0.0613  29 ILE B C     
665  O O     . ILE B 31 ? 0.6501 0.3564 0.4510 0.1287  -0.0661 0.0735  29 ILE B O     
666  C CB    . ILE B 31 ? 0.6492 0.3742 0.4878 0.0809  -0.0271 0.0232  29 ILE B CB    
667  C CG1   . ILE B 31 ? 0.7131 0.4137 0.5563 0.0531  -0.0197 0.0141  29 ILE B CG1   
668  C CG2   . ILE B 31 ? 0.5960 0.2925 0.4502 0.1127  -0.0351 0.0129  29 ILE B CG2   
669  C CD1   . ILE B 31 ? 0.6497 0.3559 0.5134 0.0607  -0.0218 -0.0194 29 ILE B CD1   
670  N N     . PHE B 32 ? 0.5697 0.3732 0.3808 0.0987  -0.0375 0.0478  30 PHE B N     
671  C CA    . PHE B 32 ? 0.5825 0.4217 0.3995 0.1219  -0.0481 0.0441  30 PHE B CA    
672  C C     . PHE B 32 ? 0.6546 0.4797 0.4357 0.1256  -0.0675 0.0749  30 PHE B C     
673  O O     . PHE B 32 ? 0.7068 0.5430 0.5003 0.1538  -0.0893 0.0740  30 PHE B O     
674  C CB    . PHE B 32 ? 0.4363 0.3329 0.2598 0.1175  -0.0337 0.0190  30 PHE B CB    
675  C CG    . PHE B 32 ? 0.5622 0.4955 0.3577 0.0987  -0.0264 0.0289  30 PHE B CG    
676  C CD1   . PHE B 32 ? 0.5471 0.4992 0.3208 0.1031  -0.0370 0.0431  30 PHE B CD1   
677  C CD2   . PHE B 32 ? 0.4976 0.4514 0.2928 0.0782  -0.0097 0.0175  30 PHE B CD2   
678  C CE1   . PHE B 32 ? 0.6189 0.5991 0.3598 0.0829  -0.0267 0.0500  30 PHE B CE1   
679  C CE2   . PHE B 32 ? 0.4697 0.4607 0.2444 0.0609  0.0022  0.0198  30 PHE B CE2   
680  C CZ    . PHE B 32 ? 0.5225 0.5223 0.2648 0.0611  -0.0039 0.0376  30 PHE B CZ    
681  N N     . LYS B 33 ? 0.7078 0.5045 0.4415 0.0957  -0.0605 0.0990  31 LYS B N     
682  C CA    . LYS B 33 ? 0.7187 0.4777 0.3915 0.0943  -0.0801 0.1315  31 LYS B CA    
683  C C     . LYS B 33 ? 0.8031 0.4820 0.4579 0.1222  -0.1120 0.1509  31 LYS B C     
684  O O     . LYS B 33 ? 0.8730 0.5308 0.5015 0.1494  -0.1470 0.1665  31 LYS B O     
685  C CB    . LYS B 33 ? 0.8035 0.5425 0.4176 0.0457  -0.0556 0.1481  31 LYS B CB    
686  C CG    . LYS B 33 ? 0.7752 0.5943 0.4027 0.0261  -0.0302 0.1283  31 LYS B CG    
687  C CD    . LYS B 33 ? 0.9091 0.7249 0.5013 -0.0256 0.0043  0.1306  31 LYS B CD    
688  C CE    . LYS B 33 ? 0.8358 0.7398 0.4618 -0.0355 0.0291  0.1001  31 LYS B CE    
689  N NZ    . LYS B 33 ? 0.7900 0.7154 0.4105 -0.0839 0.0679  0.0867  31 LYS B NZ    
690  N N     . GLU B 34 ? 0.7870 0.4194 0.4557 0.1187  -0.1036 0.1474  32 GLU B N     
691  C CA    . GLU B 34 ? 0.8720 0.4186 0.5228 0.1486  -0.1328 0.1626  32 GLU B CA    
692  C C     . GLU B 34 ? 0.8411 0.4379 0.5728 0.1963  -0.1510 0.1334  32 GLU B C     
693  O O     . GLU B 34 ? 0.8683 0.4585 0.6118 0.2225  -0.1778 0.1353  32 GLU B O     
694  C CB    . GLU B 34 ? 0.9070 0.3887 0.5473 0.1241  -0.1134 0.1638  32 GLU B CB    
695  C CG    . GLU B 34 ? 1.1089 0.5271 0.7499 0.1463  -0.1325 0.1686  32 GLU B CG    
696  C CD    . GLU B 34 ? 1.3164 0.6584 0.8736 0.1308  -0.1456 0.2007  32 GLU B CD    
697  O OE1   . GLU B 34 ? 1.4193 0.7391 0.9095 0.0866  -0.1278 0.2193  32 GLU B OE1   
698  O OE2   . GLU B 34 ? 1.3583 0.6608 0.9129 0.1610  -0.1716 0.2044  32 GLU B OE2   
699  N N     . LEU B 35 ? 0.8153 0.4700 0.6055 0.2004  -0.1305 0.1003  33 LEU B N     
700  C CA    . LEU B 35 ? 0.7925 0.4910 0.6563 0.2334  -0.1354 0.0657  33 LEU B CA    
701  C C     . LEU B 35 ? 0.7441 0.5171 0.6365 0.2532  -0.1518 0.0520  33 LEU B C     
702  O O     . LEU B 35 ? 0.6415 0.4570 0.5968 0.2760  -0.1572 0.0220  33 LEU B O     
703  C CB    . LEU B 35 ? 0.6705 0.3879 0.5692 0.2234  -0.1037 0.0328  33 LEU B CB    
704  C CG    . LEU B 35 ? 0.6843 0.3396 0.5674 0.2017  -0.0882 0.0372  33 LEU B CG    
705  C CD1   . LEU B 35 ? 0.5896 0.2697 0.5072 0.1906  -0.0613 0.0007  33 LEU B CD1   
706  C CD2   . LEU B 35 ? 0.7688 0.3722 0.6536 0.2117  -0.1017 0.0502  33 LEU B CD2   
707  N N     . LYS B 36 ? 0.7135 0.5066 0.5603 0.2380  -0.1557 0.0709  34 LYS B N     
708  C CA    . LYS B 36 ? 0.6604 0.5286 0.5275 0.2482  -0.1676 0.0562  34 LYS B CA    
709  C C     . LYS B 36 ? 0.5733 0.5119 0.5020 0.2439  -0.1376 0.0099  34 LYS B C     
710  O O     . LYS B 36 ? 0.5401 0.5313 0.5256 0.2665  -0.1470 -0.0216 34 LYS B O     
711  C CB    . LYS B 36 ? 0.6811 0.5520 0.5678 0.2746  -0.2059 0.0583  34 LYS B CB    
712  C CG    . LYS B 36 ? 0.7856 0.5803 0.5949 0.2656  -0.2286 0.1023  34 LYS B CG    
713  C CD    . LYS B 36 ? 0.8943 0.6849 0.7184 0.2979  -0.2704 0.1015  34 LYS B CD    
714  N N     . LEU B 37 ? 0.5216 0.4559 0.4345 0.2133  -0.1020 0.0032  35 LEU B N     
715  C CA    . LEU B 37 ? 0.5121 0.4852 0.4490 0.2017  -0.0717 -0.0359 35 LEU B CA    
716  C C     . LEU B 37 ? 0.5090 0.4990 0.4009 0.1733  -0.0544 -0.0303 35 LEU B C     
717  O O     . LEU B 37 ? 0.5643 0.5374 0.4201 0.1607  -0.0588 -0.0013 35 LEU B O     
718  C CB    . LEU B 37 ? 0.4701 0.3988 0.4185 0.1987  -0.0520 -0.0527 35 LEU B CB    
719  C CG    . LEU B 37 ? 0.5731 0.4800 0.5682 0.2270  -0.0626 -0.0652 35 LEU B CG    
720  C CD1   . LEU B 37 ? 0.5451 0.4008 0.5355 0.2100  -0.0401 -0.0740 35 LEU B CD1   
721  C CD2   . LEU B 37 ? 0.5228 0.4939 0.5767 0.2392  -0.0592 -0.1043 35 LEU B CD2   
722  N N     . GLU B 38 ? 0.4813 0.4992 0.3709 0.1618  -0.0326 -0.0608 36 GLU B N     
723  C CA    . GLU B 38 ? 0.5081 0.5316 0.3525 0.1413  -0.0180 -0.0599 36 GLU B CA    
724  C C     . GLU B 38 ? 0.4586 0.4387 0.2855 0.1339  -0.0099 -0.0564 36 GLU B C     
725  O O     . GLU B 38 ? 0.4472 0.3903 0.2867 0.1384  -0.0062 -0.0674 36 GLU B O     
726  C CB    . GLU B 38 ? 0.4922 0.5326 0.3349 0.1221  0.0013  -0.0870 36 GLU B CB    
727  C CG    . GLU B 38 ? 0.5190 0.6163 0.3780 0.1273  -0.0038 -0.1031 36 GLU B CG    
728  C CD    . GLU B 38 ? 0.5801 0.7071 0.4116 0.1223  -0.0161 -0.0821 36 GLU B CD    
729  O OE1   . GLU B 38 ? 0.5866 0.6897 0.3959 0.1123  -0.0155 -0.0559 36 GLU B OE1   
730  O OE2   . GLU B 38 ? 0.5569 0.7321 0.3986 0.1226  -0.0246 -0.0941 36 GLU B OE2   
731  N N     . LYS B 39 ? 0.3573 0.4066 0.3855 0.1008  -0.0633 -0.0279 37 LYS B N     
732  C CA    . LYS B 39 ? 0.3740 0.3817 0.3884 0.1003  -0.0563 -0.0301 37 LYS B CA    
733  C C     . LYS B 39 ? 0.3984 0.3956 0.4203 0.1158  -0.0381 -0.0415 37 LYS B C     
734  O O     . LYS B 39 ? 0.4033 0.3719 0.4149 0.1289  -0.0416 -0.0412 37 LYS B O     
735  C CB    . LYS B 39 ? 0.3666 0.3847 0.3752 0.0689  -0.0450 -0.0369 37 LYS B CB    
736  C CG    . LYS B 39 ? 0.3773 0.3703 0.3857 0.0712  -0.0382 -0.0443 37 LYS B CG    
737  C CD    . LYS B 39 ? 0.3650 0.3777 0.3792 0.0412  -0.0271 -0.0584 37 LYS B CD    
738  C CE    . LYS B 39 ? 0.4387 0.4752 0.4798 0.0314  -0.0019 -0.0775 37 LYS B CE    
739  N NZ    . LYS B 39 ? 0.3796 0.3928 0.4426 0.0564  0.0099  -0.0816 37 LYS B NZ    
740  N N     . SER B 40 ? 0.3678 0.3880 0.4020 0.1087  -0.0180 -0.0513 38 SER B N     
741  C CA    . SER B 40 ? 0.3879 0.3916 0.4177 0.1164  0.0001  -0.0556 38 SER B CA    
742  C C     . SER B 40 ? 0.3770 0.3809 0.4028 0.1356  -0.0033 -0.0594 38 SER B C     
743  O O     . SER B 40 ? 0.3780 0.3600 0.3845 0.1424  0.0012  -0.0581 38 SER B O     
744  C CB    . SER B 40 ? 0.4009 0.4207 0.4408 0.0975  0.0261  -0.0657 38 SER B CB    
745  O OG    . SER B 40 ? 0.3862 0.4536 0.4421 0.0917  0.0269  -0.0765 38 SER B OG    
746  N N     . THR B 41 ? 0.3291 0.3641 0.3756 0.1441  -0.0113 -0.0664 39 THR B N     
747  C CA    . THR B 41 ? 0.3922 0.4342 0.4490 0.1647  -0.0118 -0.0797 39 THR B CA    
748  C C     . THR B 41 ? 0.4790 0.4776 0.5196 0.1782  -0.0259 -0.0759 39 THR B C     
749  O O     . THR B 41 ? 0.4040 0.3941 0.4326 0.1831  -0.0164 -0.0888 39 THR B O     
750  C CB    . THR B 41 ? 0.3670 0.4521 0.4636 0.1806  -0.0254 -0.0877 39 THR B CB    
751  O OG1   . THR B 41 ? 0.3947 0.5307 0.5058 0.1612  -0.0152 -0.0930 39 THR B OG1   
752  C CG2   . THR B 41 ? 0.4028 0.5073 0.5249 0.2018  -0.0174 -0.1136 39 THR B CG2   
753  N N     . VAL B 42 ? 0.3635 0.3376 0.3989 0.1771  -0.0460 -0.0606 40 VAL B N     
754  C CA    . VAL B 42 ? 0.4774 0.4089 0.4973 0.1828  -0.0569 -0.0603 40 VAL B CA    
755  C C     . VAL B 42 ? 0.4505 0.3717 0.4438 0.1714  -0.0478 -0.0627 40 VAL B C     
756  O O     . VAL B 42 ? 0.4715 0.3792 0.4524 0.1758  -0.0465 -0.0754 40 VAL B O     
757  C CB    . VAL B 42 ? 0.4213 0.3248 0.4344 0.1761  -0.0782 -0.0417 40 VAL B CB    
758  C CG1   . VAL B 42 ? 0.4980 0.3547 0.4910 0.1720  -0.0832 -0.0458 40 VAL B CG1   
759  C CG2   . VAL B 42 ? 0.4563 0.3642 0.4941 0.1955  -0.0962 -0.0327 40 VAL B CG2   
760  N N     . ASN B 43 ? 0.3943 0.3252 0.3823 0.1575  -0.0426 -0.0528 41 ASN B N     
761  C CA    . ASN B 43 ? 0.4014 0.3281 0.3729 0.1540  -0.0400 -0.0504 41 ASN B CA    
762  C C     . ASN B 43 ? 0.4761 0.4073 0.4287 0.1591  -0.0290 -0.0532 41 ASN B C     
763  O O     . ASN B 43 ? 0.4087 0.3378 0.3386 0.1593  -0.0348 -0.0538 41 ASN B O     
764  C CB    . ASN B 43 ? 0.3862 0.3203 0.3696 0.1447  -0.0350 -0.0424 41 ASN B CB    
765  C CG    . ASN B 43 ? 0.4085 0.3445 0.3986 0.1342  -0.0455 -0.0451 41 ASN B CG    
766  O OD1   . ASN B 43 ? 0.4608 0.3899 0.4393 0.1328  -0.0567 -0.0499 41 ASN B OD1   
767  N ND2   . ASN B 43 ? 0.3866 0.3361 0.3962 0.1214  -0.0380 -0.0478 41 ASN B ND2   
768  N N     . ARG B 44 ? 0.4304 0.3742 0.3883 0.1574  -0.0126 -0.0557 42 ARG B N     
769  C CA    . ARG B 44 ? 0.4184 0.3687 0.3509 0.1532  0.0026  -0.0603 42 ARG B CA    
770  C C     . ARG B 44 ? 0.4337 0.3884 0.3537 0.1578  -0.0010 -0.0799 42 ARG B C     
771  O O     . ARG B 44 ? 0.4647 0.4207 0.3477 0.1499  0.0001  -0.0785 42 ARG B O     
772  C CB    . ARG B 44 ? 0.4104 0.3847 0.3582 0.1458  0.0239  -0.0717 42 ARG B CB    
773  C CG    . ARG B 44 ? 0.4590 0.4478 0.3781 0.1331  0.0451  -0.0837 42 ARG B CG    
774  C CD    . ARG B 44 ? 0.4468 0.4694 0.3861 0.1191  0.0701  -0.1002 42 ARG B CD    
775  N NE    . ARG B 44 ? 0.4327 0.4418 0.3815 0.1092  0.0739  -0.0837 42 ARG B NE    
776  C CZ    . ARG B 44 ? 0.4818 0.5223 0.4712 0.1085  0.0743  -0.0950 42 ARG B CZ    
777  N NH1   . ARG B 44 ? 0.4486 0.5355 0.4762 0.1231  0.0669  -0.1173 42 ARG B NH1   
778  N NH2   . ARG B 44 ? 0.4217 0.4496 0.4156 0.0935  0.0817  -0.0857 42 ARG B NH2   
779  N N     . HIS B 45 ? 0.4266 0.3828 0.3770 0.1699  -0.0056 -0.0984 43 HIS B N     
780  C CA    . HIS B 45 ? 0.4555 0.4101 0.4038 0.1746  -0.0031 -0.1260 43 HIS B CA    
781  C C     . HIS B 45 ? 0.4907 0.4216 0.4183 0.1692  -0.0179 -0.1252 43 HIS B C     
782  O O     . HIS B 45 ? 0.5363 0.4732 0.4416 0.1607  -0.0122 -0.1463 43 HIS B O     
783  C CB    . HIS B 45 ? 0.4929 0.4507 0.4892 0.1952  -0.0028 -0.1473 43 HIS B CB    
784  C CG    . HIS B 45 ? 0.5592 0.5621 0.5796 0.1972  0.0160  -0.1630 43 HIS B CG    
785  N ND1   . HIS B 45 ? 0.5730 0.6068 0.5892 0.1894  0.0403  -0.1963 43 HIS B ND1   
786  C CD2   . HIS B 45 ? 0.5462 0.5772 0.5925 0.1989  0.0171  -0.1541 43 HIS B CD2   
787  C CE1   . HIS B 45 ? 0.6526 0.7317 0.6948 0.1870  0.0564  -0.2080 43 HIS B CE1   
788  N NE2   . HIS B 45 ? 0.5642 0.6429 0.6258 0.1932  0.0417  -0.1827 43 HIS B NE2   
789  N N     . LEU B 46 ? 0.4811 0.3937 0.4143 0.1682  -0.0343 -0.1054 44 LEU B N     
790  C CA    . LEU B 46 ? 0.4616 0.3640 0.3774 0.1570  -0.0463 -0.1075 44 LEU B CA    
791  C C     . LEU B 46 ? 0.4785 0.4092 0.3612 0.1480  -0.0477 -0.1030 44 LEU B C     
792  O O     . LEU B 46 ? 0.5030 0.4444 0.3638 0.1370  -0.0507 -0.1205 44 LEU B O     
793  C CB    . LEU B 46 ? 0.4393 0.3306 0.3672 0.1511  -0.0590 -0.0901 44 LEU B CB    
794  C CG    . LEU B 46 ? 0.5327 0.3875 0.4751 0.1511  -0.0652 -0.0897 44 LEU B CG    
795  C CD1   . LEU B 46 ? 0.4673 0.3204 0.4100 0.1340  -0.0736 -0.0742 44 LEU B CD1   
796  C CD2   . LEU B 46 ? 0.6287 0.4492 0.5637 0.1474  -0.0650 -0.1122 44 LEU B CD2   
797  N N     . TYR B 47 ? 0.4621 0.4037 0.3396 0.1513  -0.0468 -0.0784 45 TYR B N     
798  C CA    . TYR B 47 ? 0.4889 0.4499 0.3328 0.1471  -0.0553 -0.0631 45 TYR B CA    
799  C C     . TYR B 47 ? 0.5515 0.5273 0.3547 0.1351  -0.0424 -0.0752 45 TYR B C     
800  O O     . TYR B 47 ? 0.5689 0.5680 0.3337 0.1243  -0.0524 -0.0737 45 TYR B O     
801  C CB    . TYR B 47 ? 0.5009 0.4540 0.3528 0.1561  -0.0584 -0.0310 45 TYR B CB    
802  C CG    . TYR B 47 ? 0.4798 0.4368 0.3674 0.1637  -0.0731 -0.0258 45 TYR B CG    
803  C CD1   . TYR B 47 ? 0.4584 0.4049 0.3813 0.1621  -0.0659 -0.0331 45 TYR B CD1   
804  C CD2   . TYR B 47 ? 0.4722 0.4538 0.3596 0.1703  -0.0948 -0.0163 45 TYR B CD2   
805  C CE1   . TYR B 47 ? 0.3998 0.3585 0.3544 0.1617  -0.0740 -0.0356 45 TYR B CE1   
806  C CE2   . TYR B 47 ? 0.4882 0.4861 0.4183 0.1762  -0.1048 -0.0205 45 TYR B CE2   
807  C CZ    . TYR B 47 ? 0.4599 0.4453 0.4222 0.1693  -0.0914 -0.0325 45 TYR B CZ    
808  O OH    . TYR B 47 ? 0.4011 0.4100 0.4046 0.1682  -0.0959 -0.0432 45 TYR B OH    
809  N N     . SER B 48 ? 0.5295 0.5015 0.3426 0.1344  -0.0201 -0.0913 46 SER B N     
810  C CA    . SER B 48 ? 0.6530 0.6476 0.4344 0.1180  -0.0010 -0.1154 46 SER B CA    
811  C C     . SER B 48 ? 0.6372 0.6422 0.4156 0.1105  -0.0013 -0.1537 46 SER B C     
812  O O     . SER B 48 ? 0.6392 0.6725 0.3720 0.0886  0.0028  -0.1675 46 SER B O     
813  C CB    . SER B 48 ? 0.6017 0.6027 0.4122 0.1208  0.0243  -0.1350 46 SER B CB    
814  O OG    . SER B 48 ? 0.7149 0.7468 0.4995 0.1011  0.0475  -0.1672 46 SER B OG    
815  N N     . LEU B 49 ? 0.5911 0.5699 0.4140 0.1247  -0.0053 -0.1708 47 LEU B N     
816  C CA    . LEU B 49 ? 0.6005 0.5720 0.4264 0.1164  -0.0025 -0.2095 47 LEU B CA    
817  C C     . LEU B 49 ? 0.6602 0.6499 0.4512 0.0977  -0.0210 -0.2039 47 LEU B C     
818  O O     . LEU B 49 ? 0.6987 0.7031 0.4708 0.0774  -0.0149 -0.2393 47 LEU B O     
819  C CB    . LEU B 49 ? 0.5880 0.5112 0.4642 0.1356  -0.0059 -0.2177 47 LEU B CB    
820  C CG    . LEU B 49 ? 0.6801 0.5945 0.6016 0.1579  0.0094  -0.2372 47 LEU B CG    
821  C CD1   . LEU B 49 ? 0.6094 0.4754 0.5729 0.1808  -0.0060 -0.2213 47 LEU B CD1   
822  C CD2   . LEU B 49 ? 0.6919 0.6141 0.6199 0.1515  0.0325  -0.2921 47 LEU B CD2   
823  N N     . GLN B 50 ? 0.6195 0.6149 0.4081 0.1039  -0.0426 -0.1648 48 GLN B N     
824  C CA    . GLN B 50 ? 0.6439 0.6730 0.4102 0.0905  -0.0640 -0.1601 48 GLN B CA    
825  C C     . GLN B 50 ? 0.7007 0.7760 0.4110 0.0738  -0.0668 -0.1572 48 GLN B C     
826  O O     . GLN B 50 ? 0.7649 0.8789 0.4471 0.0512  -0.0738 -0.1799 48 GLN B O     
827  C CB    . GLN B 50 ? 0.5984 0.6302 0.3869 0.1061  -0.0851 -0.1232 48 GLN B CB    
828  C CG    . GLN B 50 ? 0.6741 0.7544 0.4556 0.0975  -0.1103 -0.1221 48 GLN B CG    
829  C CD    . GLN B 50 ? 0.7203 0.8130 0.5316 0.1188  -0.1300 -0.0884 48 GLN B CD    
830  O OE1   . GLN B 50 ? 0.7236 0.8471 0.5625 0.1164  -0.1447 -0.0967 48 GLN B OE1   
831  N NE2   . GLN B 50 ? 0.7007 0.7707 0.5105 0.1376  -0.1272 -0.0552 48 GLN B NE2   
832  N N     . ALA B 51 ? 0.7268 0.7988 0.4157 0.0794  -0.0601 -0.1297 49 ALA B N     
833  C CA    . ALA B 51 ? 0.7753 0.8836 0.3979 0.0586  -0.0624 -0.1169 49 ALA B CA    
834  C C     . ALA B 51 ? 0.8547 0.9931 0.4475 0.0271  -0.0397 -0.1699 49 ALA B C     
835  O O     . ALA B 51 ? 0.9395 1.1266 0.4759 0.0000  -0.0497 -0.1738 49 ALA B O     
836  C CB    . ALA B 51 ? 0.7580 0.8429 0.3628 0.0632  -0.0506 -0.0823 49 ALA B CB    
837  N N     . SER B 52 ? 0.8350 0.9484 0.4685 0.0308  -0.0099 -0.2127 50 SER B N     
838  C CA    . SER B 52 ? 0.8905 1.0281 0.5113 0.0039  0.0176  -0.2740 50 SER B CA    
839  C C     . SER B 52 ? 0.9395 1.0686 0.5843 -0.0033 0.0155  -0.3157 50 SER B C     
840  O O     . SER B 52 ? 1.0091 1.1294 0.6746 -0.0157 0.0424  -0.3672 50 SER B O     
841  C CB    . SER B 52 ? 0.9223 1.0435 0.5833 0.0141  0.0525  -0.3062 50 SER B CB    
842  O OG    . SER B 52 ? 0.8738 0.9433 0.6065 0.0508  0.0487  -0.3022 50 SER B OG    
843  N N     . LYS B 53 ? 0.8723 0.9985 0.5234 0.0032  -0.0146 -0.2889 51 LYS B N     
844  C CA    . LYS B 53 ? 0.8668 0.9899 0.5316 -0.0135 -0.0173 -0.3254 51 LYS B CA    
845  C C     . LYS B 53 ? 0.8702 0.9241 0.5878 -0.0047 0.0075  -0.3666 51 LYS B C     
846  O O     . LYS B 53 ? 0.9157 0.9557 0.6408 -0.0280 0.0215  -0.4016 51 LYS B O     
847  C CB    . LYS B 53 ? 0.9795 1.1623 0.5986 -0.0547 -0.0159 -0.3487 51 LYS B CB    
848  C CG    . LYS B 53 ? 1.0822 1.3318 0.6513 -0.0618 -0.0515 -0.3032 51 LYS B CG    
849  C CD    . LYS B 53 ? 1.1498 1.4102 0.7435 -0.0429 -0.0861 -0.2771 51 LYS B CD    
850  C CE    . LYS B 53 ? 1.2459 1.5638 0.8076 -0.0349 -0.1257 -0.2220 51 LYS B CE    
851  N NZ    . LYS B 53 ? 1.2225 1.5438 0.8295 -0.0036 -0.1555 -0.1912 51 LYS B NZ    
852  N N     . GLN B 54 ? 0.8435 0.8456 0.6048 0.0301  0.0101  -0.3434 52 GLN B N     
853  C CA    . GLN B 54 ? 0.7957 0.7260 0.6084 0.0464  0.0248  -0.3692 52 GLN B CA    
854  C C     . GLN B 54 ? 0.7405 0.6215 0.5738 0.0554  0.0045  -0.3369 52 GLN B C     
855  O O     . GLN B 54 ? 0.8088 0.6254 0.6651 0.0539  0.0109  -0.3557 52 GLN B O     
856  C CB    . GLN B 54 ? 0.8196 0.7356 0.6702 0.0775  0.0395  -0.3686 52 GLN B CB    
857  C CG    . GLN B 54 ? 0.9185 0.8836 0.7533 0.0605  0.0648  -0.3935 52 GLN B CG    
858  C CD    . GLN B 54 ? 1.0237 0.9602 0.9166 0.0782  0.0872  -0.4168 52 GLN B CD    
859  O OE1   . GLN B 54 ? 1.0888 0.9981 0.9987 0.0696  0.0997  -0.4477 52 GLN B OE1   
860  N NE2   . GLN B 54 ? 0.9397 0.8869 0.8661 0.1035  0.0910  -0.4029 52 GLN B NE2   
861  N N     . VAL B 55 ? 0.6894 0.5973 0.5131 0.0622  -0.0179 -0.2895 53 VAL B N     
862  C CA    . VAL B 55 ? 0.7829 0.6630 0.6202 0.0610  -0.0343 -0.2643 53 VAL B CA    
863  C C     . VAL B 55 ? 0.8485 0.7924 0.6645 0.0451  -0.0540 -0.2495 53 VAL B C     
864  O O     . VAL B 55 ? 0.6469 0.6484 0.4368 0.0437  -0.0611 -0.2435 53 VAL B O     
865  C CB    . VAL B 55 ? 0.6238 0.4739 0.4891 0.0899  -0.0414 -0.2244 53 VAL B CB    
866  C CG1   . VAL B 55 ? 0.6458 0.4471 0.5412 0.1131  -0.0285 -0.2363 53 VAL B CG1   
867  C CG2   . VAL B 55 ? 0.5803 0.4793 0.4380 0.1028  -0.0493 -0.1926 53 VAL B CG2   
868  N N     . PHE B 56 ? 0.6371 0.5735 0.4649 0.0322  -0.0637 -0.2436 54 PHE B N     
869  C CA    . PHE B 56 ? 0.6141 0.6195 0.4401 0.0240  -0.0841 -0.2322 54 PHE B CA    
870  C C     . PHE B 56 ? 0.6902 0.6827 0.5448 0.0282  -0.0907 -0.2093 54 PHE B C     
871  O O     . PHE B 56 ? 0.5854 0.5151 0.4479 0.0232  -0.0806 -0.2068 54 PHE B O     
872  C CB    . PHE B 56 ? 0.6542 0.7036 0.4638 -0.0129 -0.0861 -0.2713 54 PHE B CB    
873  C CG    . PHE B 56 ? 0.6803 0.6885 0.4997 -0.0448 -0.0751 -0.2957 54 PHE B CG    
874  C CD1   . PHE B 56 ? 0.7362 0.6672 0.5473 -0.0617 -0.0521 -0.3250 54 PHE B CD1   
875  C CD2   . PHE B 56 ? 0.6796 0.7249 0.5176 -0.0606 -0.0856 -0.2921 54 PHE B CD2   
876  C CE1   . PHE B 56 ? 0.7793 0.6579 0.5905 -0.0963 -0.0408 -0.3431 54 PHE B CE1   
877  C CE2   . PHE B 56 ? 0.7241 0.7302 0.5617 -0.1001 -0.0718 -0.3149 54 PHE B CE2   
878  C CZ    . PHE B 56 ? 0.7602 0.6766 0.5793 -0.1193 -0.0499 -0.3370 54 PHE B CZ    
879  N N     . LYS B 57 ? 0.5880 0.6412 0.4585 0.0373  -0.1082 -0.1925 55 LYS B N     
880  C CA    . LYS B 57 ? 0.5790 0.6332 0.4813 0.0375  -0.1101 -0.1799 55 LYS B CA    
881  C C     . LYS B 57 ? 0.5665 0.6960 0.4915 0.0206  -0.1230 -0.1983 55 LYS B C     
882  O O     . LYS B 57 ? 0.5250 0.7198 0.4485 0.0260  -0.1408 -0.2039 55 LYS B O     
883  C CB    . LYS B 57 ? 0.5272 0.5779 0.4476 0.0710  -0.1131 -0.1458 55 LYS B CB    
884  C CG    . LYS B 57 ? 0.6152 0.7249 0.5495 0.0944  -0.1323 -0.1300 55 LYS B CG    
885  C CD    . LYS B 57 ? 0.5539 0.6478 0.5160 0.1199  -0.1292 -0.1030 55 LYS B CD    
886  C CE    . LYS B 57 ? 0.6109 0.7162 0.5644 0.1485  -0.1423 -0.0741 55 LYS B CE    
887  N NZ    . LYS B 57 ? 0.5926 0.7631 0.5559 0.1578  -0.1704 -0.0728 55 LYS B NZ    
888  N N     . THR B 58 ? 0.5734 0.7003 0.5190 -0.0023 -0.1147 -0.2084 56 THR B N     
889  C CA    . THR B 58 ? 0.5991 0.8096 0.5820 -0.0165 -0.1236 -0.2301 56 THR B CA    
890  C C     . THR B 58 ? 0.5977 0.8176 0.6211 -0.0003 -0.1203 -0.2157 56 THR B C     
891  O O     . THR B 58 ? 0.5143 0.6711 0.5250 -0.0032 -0.1055 -0.1990 56 THR B O     
892  C CB    . THR B 58 ? 0.6371 0.8477 0.6086 -0.0720 -0.1091 -0.2672 56 THR B CB    
893  O OG1   . THR B 58 ? 0.7296 0.8634 0.6844 -0.0946 -0.0892 -0.2573 56 THR B OG1   
894  C CG2   . THR B 58 ? 0.6828 0.8705 0.6140 -0.0924 -0.1057 -0.2883 56 THR B CG2   
895  N N     . VAL B 59 ? 0.6819 0.8068 0.7549 0.0675  -0.2214 -0.3504 57 VAL B N     
896  C CA    . VAL B 59 ? 0.6643 0.7904 0.7249 0.1031  -0.2234 -0.3226 57 VAL B CA    
897  C C     . VAL B 59 ? 0.6611 0.9009 0.7943 0.1007  -0.2203 -0.3594 57 VAL B C     
898  O O     . VAL B 59 ? 0.6608 1.0030 0.8273 0.1217  -0.2525 -0.3912 57 VAL B O     
899  C CB    . VAL B 59 ? 0.8332 0.9270 0.8278 0.1620  -0.2609 -0.2936 57 VAL B CB    
900  C CG1   . VAL B 59 ? 0.8036 0.7931 0.7298 0.1598  -0.2605 -0.2610 57 VAL B CG1   
901  C CG2   . VAL B 59 ? 0.9126 1.0903 0.9192 0.1975  -0.3042 -0.3190 57 VAL B CG2   
902  N N     . GLU B 60 ? 0.6772 0.9089 0.8364 0.0747  -0.1804 -0.3549 58 GLU B N     
903  C CA    . GLU B 60 ? 0.6718 1.0053 0.8954 0.0774  -0.1752 -0.3855 58 GLU B CA    
904  C C     . GLU B 60 ? 0.7183 1.0405 0.9075 0.1360  -0.1926 -0.3559 58 GLU B C     
905  O O     . GLU B 60 ? 0.6857 0.9122 0.8076 0.1475  -0.1858 -0.3144 58 GLU B O     
906  C CB    . GLU B 60 ? 0.6717 0.9912 0.9293 0.0252  -0.1205 -0.3915 58 GLU B CB    
907  N N     . ASP B 61 ? 0.6771 1.0998 0.9122 0.1729  -0.2105 -0.3785 59 ASP B N     
908  C CA    . ASP B 61 ? 0.7214 1.1260 0.9269 0.2328  -0.2165 -0.3531 59 ASP B CA    
909  C C     . ASP B 61 ? 0.6533 0.9719 0.8210 0.2146  -0.1764 -0.3263 59 ASP B C     
910  O O     . ASP B 61 ? 0.6495 0.9835 0.8520 0.1703  -0.1431 -0.3374 59 ASP B O     
911  C CB    . ASP B 61 ? 0.8213 1.3565 1.0998 0.2721  -0.2266 -0.3809 59 ASP B CB    
912  C CG    . ASP B 61 ? 0.9093 1.5558 1.2181 0.3010  -0.2722 -0.4030 59 ASP B CG    
913  O OD1   . ASP B 61 ? 0.9558 1.5579 1.2128 0.3057  -0.2986 -0.3901 59 ASP B OD1   
914  O OD2   . ASP B 61 ? 0.9745 1.7645 1.3596 0.3191  -0.2817 -0.4344 59 ASP B OD2   
915  N N     . ASN B 62 ? 0.6642 0.8962 0.7570 0.2443  -0.1769 -0.2934 60 ASN B N     
916  C CA    . ASN B 62 ? 0.6699 0.8354 0.7185 0.2246  -0.1399 -0.2724 60 ASN B CA    
917  C C     . ASN B 62 ? 0.7010 0.8283 0.7303 0.1676  -0.1188 -0.2552 60 ASN B C     
918  O O     . ASN B 62 ? 0.7553 0.8749 0.7763 0.1397  -0.0849 -0.2464 60 ASN B O     
919  C CB    . ASN B 62 ? 0.6820 0.8975 0.7767 0.2326  -0.1106 -0.2907 60 ASN B CB    
920  C CG    . ASN B 62 ? 0.7870 1.0147 0.8840 0.3003  -0.1180 -0.2932 60 ASN B CG    
921  O OD1   . ASN B 62 ? 0.8247 0.9721 0.8524 0.3294  -0.1149 -0.2721 60 ASN B OD1   
922  N ND2   . ASN B 62 ? 0.7140 1.0442 0.8905 0.3278  -0.1239 -0.3181 60 ASN B ND2   
923  N N     . LYS B 63 ? 0.7226 0.8275 0.7433 0.1527  -0.1356 -0.2482 61 LYS B N     
924  C CA    . LYS B 63 ? 0.7024 0.7626 0.7021 0.1111  -0.1116 -0.2224 61 LYS B CA    
925  C C     . LYS B 63 ? 0.6740 0.6663 0.6130 0.1195  -0.1301 -0.1942 61 LYS B C     
926  O O     . LYS B 63 ? 0.6458 0.6301 0.5707 0.1475  -0.1631 -0.2038 61 LYS B O     
927  C CB    . LYS B 63 ? 0.6593 0.7559 0.7248 0.0729  -0.0925 -0.2458 61 LYS B CB    
928  C CG    . LYS B 63 ? 0.7211 0.8694 0.8364 0.0482  -0.0585 -0.2640 61 LYS B CG    
929  C CD    . LYS B 63 ? 0.8301 0.9942 0.9987 0.0009  -0.0268 -0.2857 61 LYS B CD    
930  C CE    . LYS B 63 ? 0.9479 1.1307 1.1412 -0.0318 0.0195  -0.2870 61 LYS B CE    
931  N NZ    . LYS B 63 ? 1.0008 1.1212 1.1267 -0.0358 0.0432  -0.2305 61 LYS B NZ    
932  N N     . ARG B 64 ? 0.6552 0.6051 0.5576 0.0980  -0.1077 -0.1572 62 ARG B N     
933  C CA    . ARG B 64 ? 0.6549 0.5479 0.5064 0.1047  -0.1199 -0.1284 62 ARG B CA    
934  C C     . ARG B 64 ? 0.6977 0.5777 0.5811 0.0991  -0.1312 -0.1464 62 ARG B C     
935  O O     . ARG B 64 ? 0.6757 0.5725 0.6120 0.0713  -0.1075 -0.1630 62 ARG B O     
936  C CB    . ARG B 64 ? 0.6679 0.5401 0.4877 0.0869  -0.0893 -0.0812 62 ARG B CB    
937  C CG    . ARG B 64 ? 0.6654 0.5579 0.4362 0.0865  -0.0807 -0.0631 62 ARG B CG    
938  C CD    . ARG B 64 ? 0.6837 0.5834 0.4280 0.0714  -0.0519 -0.0125 62 ARG B CD    
939  N NE    . ARG B 64 ? 1.1311 1.0651 0.9060 0.0484  -0.0182 -0.0097 62 ARG B NE    
940  C CZ    . ARG B 64 ? 1.1565 1.1361 0.9116 0.0344  -0.0040 -0.0118 62 ARG B CZ    
941  N NH1   . ARG B 64 ? 1.1510 1.1450 0.8558 0.0381  -0.0165 -0.0194 62 ARG B NH1   
942  N NH2   . ARG B 64 ? 1.1670 1.1751 0.9503 0.0116  0.0284  -0.0103 62 ARG B NH2   
943  N N     . PRO B 65 ? 0.7087 0.5581 0.5578 0.1202  -0.1626 -0.1480 63 PRO B N     
944  C CA    . PRO B 65 ? 0.7016 0.5379 0.5734 0.1088  -0.1703 -0.1672 63 PRO B CA    
945  C C     . PRO B 65 ? 0.6888 0.4772 0.5687 0.0804  -0.1294 -0.1422 63 PRO B C     
946  O O     . PRO B 65 ? 0.6928 0.4470 0.5342 0.0865  -0.1124 -0.0958 63 PRO B O     
947  C CB    . PRO B 65 ? 0.7025 0.5004 0.5163 0.1369  -0.2048 -0.1601 63 PRO B CB    
948  C CG    . PRO B 65 ? 0.6930 0.5057 0.4754 0.1675  -0.2204 -0.1588 63 PRO B CG    
949  C CD    . PRO B 65 ? 0.6578 0.4857 0.4473 0.1521  -0.1882 -0.1411 63 PRO B CD    
950  N N     . VAL B 66 ? 0.5021 0.3454 0.5558 0.0929  -0.1221 -0.0918 64 VAL B N     
951  C CA    . VAL B 66 ? 0.6176 0.3972 0.6107 0.1136  -0.0928 -0.0833 64 VAL B CA    
952  C C     . VAL B 66 ? 0.6280 0.4107 0.6195 0.1039  -0.1069 -0.0902 64 VAL B C     
953  O O     . VAL B 66 ? 0.5808 0.3858 0.6161 0.0707  -0.1205 -0.1033 64 VAL B O     
954  C CB    . VAL B 66 ? 0.6771 0.3919 0.6692 0.0967  -0.0448 -0.0818 64 VAL B CB    
955  C CG1   . VAL B 66 ? 0.7248 0.3651 0.6593 0.1139  -0.0065 -0.0733 64 VAL B CG1   
956  C CG2   . VAL B 66 ? 0.7200 0.4188 0.6994 0.1128  -0.0234 -0.0712 64 VAL B CG2   
957  N N     . TRP B 67 ? 0.6201 0.3830 0.5586 0.1373  -0.1047 -0.0831 65 TRP B N     
958  C CA    . TRP B 67 ? 0.6214 0.3915 0.5566 0.1323  -0.1198 -0.0893 65 TRP B CA    
959  C C     . TRP B 67 ? 0.6536 0.3554 0.5423 0.1401  -0.0868 -0.0838 65 TRP B C     
960  O O     . TRP B 67 ? 0.7777 0.4255 0.6148 0.1704  -0.0537 -0.0694 65 TRP B O     
961  C CB    . TRP B 67 ? 0.5620 0.3762 0.4880 0.1627  -0.1468 -0.0923 65 TRP B CB    
962  C CG    . TRP B 67 ? 0.4937 0.3724 0.4719 0.1531  -0.1729 -0.1018 65 TRP B CG    
963  C CD1   . TRP B 67 ? 0.4874 0.3946 0.4777 0.1674  -0.1772 -0.1043 65 TRP B CD1   
964  C CD2   . TRP B 67 ? 0.4616 0.3786 0.4838 0.1298  -0.1927 -0.1098 65 TRP B CD2   
965  N NE1   . TRP B 67 ? 0.4973 0.4587 0.5446 0.1502  -0.1965 -0.1151 65 TRP B NE1   
966  C CE2   . TRP B 67 ? 0.4346 0.3985 0.4989 0.1289  -0.2037 -0.1161 65 TRP B CE2   
967  C CE3   . TRP B 67 ? 0.5015 0.4131 0.5268 0.1127  -0.1984 -0.1116 65 TRP B CE3   
968  C CZ2   . TRP B 67 ? 0.4352 0.4330 0.5432 0.1129  -0.2142 -0.1211 65 TRP B CZ2   
969  C CZ3   . TRP B 67 ? 0.4200 0.3659 0.4807 0.1007  -0.2119 -0.1151 65 TRP B CZ3   
970  C CH2   . TRP B 67 ? 0.4545 0.4392 0.5557 0.1013  -0.2167 -0.1182 65 TRP B CH2   
971  N N     . ASN B 68 ? 0.6465 0.3475 0.5486 0.1169  -0.0931 -0.0947 66 ASN B N     
972  C CA    . ASN B 68 ? 0.7082 0.3482 0.5703 0.1234  -0.0627 -0.0924 66 ASN B CA    
973  C C     . ASN B 68 ? 0.6848 0.3464 0.5546 0.1108  -0.0857 -0.1040 66 ASN B C     
974  O O     . ASN B 68 ? 0.6303 0.3451 0.5378 0.0915  -0.1188 -0.1145 66 ASN B O     
975  C CB    . ASN B 68 ? 0.7574 0.3423 0.6349 0.0954  -0.0179 -0.1010 66 ASN B CB    
976  C CG    . ASN B 68 ? 0.9088 0.4061 0.7299 0.1166  0.0350  -0.0892 66 ASN B CG    
977  O OD1   . ASN B 68 ? 0.8851 0.3682 0.6601 0.1454  0.0311  -0.0791 66 ASN B OD1   
978  N ND2   . ASN B 68 ? 0.9962 0.4303 0.8231 0.1029  0.0901  -0.0915 66 ASN B ND2   
979  N N     . LEU B 69 ? 0.7346 0.3492 0.5623 0.1262  -0.0643 -0.0996 67 LEU B N     
980  C CA    . LEU B 69 ? 0.7265 0.3483 0.5546 0.1146  -0.0777 -0.1106 67 LEU B CA    
981  C C     . LEU B 69 ? 0.8612 0.4908 0.7317 0.0699  -0.0787 -0.1355 67 LEU B C     
982  O O     . LEU B 69 ? 0.7498 0.3510 0.6414 0.0492  -0.0496 -0.1470 67 LEU B O     
983  C CB    . LEU B 69 ? 0.8043 0.3627 0.5783 0.1400  -0.0448 -0.1009 67 LEU B CB    
984  C CG    . LEU B 69 ? 0.8854 0.4552 0.6244 0.1778  -0.0604 -0.0928 67 LEU B CG    
985  C CD1   . LEU B 69 ? 0.7783 0.4098 0.5294 0.2030  -0.0935 -0.0909 67 LEU B CD1   
986  C CD2   . LEU B 69 ? 0.9097 0.4083 0.5857 0.2163  -0.0204 -0.0764 67 LEU B CD2   
987  N N     . VAL B 70 ? 0.7222 0.3908 0.6054 0.0584  -0.1098 -0.1474 68 VAL B N     
988  C CA    . VAL B 70 ? 0.6915 0.3751 0.6050 0.0262  -0.1170 -0.1770 68 VAL B CA    
989  C C     . VAL B 70 ? 0.8353 0.4642 0.7376 0.0138  -0.0804 -0.1936 68 VAL B C     
990  O O     . VAL B 70 ? 0.8178 0.4426 0.7590 -0.0156 -0.0639 -0.2250 68 VAL B O     
991  C CB    . VAL B 70 ? 0.7362 0.4660 0.6468 0.0288  -0.1557 -0.1809 68 VAL B CB    
992  C CG1   . VAL B 70 ? 0.7325 0.4799 0.6598 0.0069  -0.1667 -0.2152 68 VAL B CG1   
993  C CG2   . VAL B 70 ? 0.6878 0.4654 0.6187 0.0367  -0.1821 -0.1682 68 VAL B CG2   
994  N N     . GLU B 71 ? 0.9291 0.5176 0.7845 0.0363  -0.0648 -0.1766 69 GLU B N     
995  C CA    . GLU B 71 ? 1.0633 0.5896 0.9022 0.0291  -0.0227 -0.1874 69 GLU B CA    
996  C C     . GLU B 71 ? 1.1946 0.6569 1.0331 0.0290  0.0325  -0.1819 69 GLU B C     
997  O O     . GLU B 71 ? 1.2040 0.6134 0.9916 0.0647  0.0617  -0.1515 69 GLU B O     
998  C CB    . GLU B 71 ? 1.1071 0.6072 0.8938 0.0590  -0.0204 -0.1680 69 GLU B CB    
999  C CG    . GLU B 71 ? 1.0267 0.5285 0.7783 0.1031  -0.0273 -0.1353 69 GLU B CG    
1000 O "O3'" . DT  C 1  ? 0.5344 0.9876 0.3914 0.0674  -0.0341 0.0115  0  DT  C "O3'" 
1001 P P     . DC  C 2  ? 0.5594 0.9790 0.4261 0.0378  -0.0392 -0.0238 1  DC  C P     
1002 O OP1   . DC  C 2  ? 0.5687 1.0068 0.4532 0.0280  -0.0486 -0.0268 1  DC  C OP1   
1003 O OP2   . DC  C 2  ? 0.6373 1.0531 0.4834 0.0164  -0.0365 -0.0441 1  DC  C OP2   
1004 O "O5'" . DC  C 2  ? 0.5184 0.8697 0.4023 0.0495  -0.0270 -0.0267 1  DC  C "O5'" 
1005 C "C5'" . DC  C 2  ? 0.4725 0.7872 0.3699 0.0373  -0.0274 -0.0496 1  DC  C "C5'" 
1006 C "C4'" . DC  C 2  ? 0.4501 0.7238 0.3630 0.0484  -0.0169 -0.0484 1  DC  C "C4'" 
1007 O "O4'" . DC  C 2  ? 0.4463 0.7138 0.3678 0.0627  -0.0158 -0.0312 1  DC  C "O4'" 
1008 C "C3'" . DC  C 2  ? 0.4684 0.7303 0.3716 0.0520  -0.0027 -0.0440 1  DC  C "C3'" 
1009 O "O3'" . DC  C 2  ? 0.4550 0.6922 0.3737 0.0477  0.0046  -0.0578 1  DC  C "O3'" 
1010 C "C2'" . DC  C 2  ? 0.5053 0.7606 0.4001 0.0693  0.0062  -0.0182 1  DC  C "C2'" 
1011 C "C1'" . DC  C 2  ? 0.4352 0.6796 0.3476 0.0735  0.0004  -0.0176 1  DC  C "C1'" 
1012 N N1    . DC  C 2  ? 0.3986 0.6456 0.3010 0.0951  0.0062  0.0091  1  DC  C N1    
1013 C C2    . DC  C 2  ? 0.4243 0.6231 0.3164 0.1049  0.0268  0.0195  1  DC  C C2    
1014 O O2    . DC  C 2  ? 0.4470 0.6133 0.3420 0.0890  0.0364  0.0038  1  DC  C O2    
1015 N N3    . DC  C 2  ? 0.4239 0.6146 0.3003 0.1307  0.0382  0.0459  1  DC  C N3    
1016 C C4    . DC  C 2  ? 0.4409 0.6863 0.3187 0.1481  0.0261  0.0634  1  DC  C C4    
1017 N N4    . DC  C 2  ? 0.4589 0.7008 0.3213 0.1807  0.0402  0.0931  1  DC  C N4    
1018 C C5    . DC  C 2  ? 0.3797 0.6870 0.2712 0.1316  0.0020  0.0508  1  DC  C C5    
1019 C C6    . DC  C 2  ? 0.3571 0.6541 0.2572 0.1047  -0.0053 0.0230  1  DC  C C6    
1020 P P     . DG  C 3  ? 0.4716 0.7094 0.3912 0.0401  0.0084  -0.0780 2  DG  C P     
1021 O OP1   . DG  C 3  ? 0.5360 0.7869 0.4311 0.0348  0.0112  -0.0786 2  DG  C OP1   
1022 O OP2   . DG  C 3  ? 0.4672 0.6986 0.4044 0.0396  0.0185  -0.0830 2  DG  C OP2   
1023 O "O5'" . DG  C 3  ? 0.3905 0.6218 0.3156 0.0387  -0.0012 -0.0911 2  DG  C "O5'" 
1024 C "C5'" . DG  C 3  ? 0.3471 0.5691 0.2923 0.0448  -0.0062 -0.0908 2  DG  C "C5'" 
1025 C "C4'" . DG  C 3  ? 0.3836 0.5930 0.3227 0.0430  -0.0121 -0.0998 2  DG  C "C4'" 
1026 O "O4'" . DG  C 3  ? 0.3758 0.5984 0.2998 0.0316  -0.0196 -0.0954 2  DG  C "O4'" 
1027 C "C3'" . DG  C 3  ? 0.3788 0.5781 0.3348 0.0512  -0.0172 -0.0984 2  DG  C "C3'" 
1028 O "O3'" . DG  C 3  ? 0.4211 0.6136 0.3843 0.0631  -0.0109 -0.1066 2  DG  C "O3'" 
1029 C "C2'" . DG  C 3  ? 0.3786 0.5679 0.3214 0.0428  -0.0230 -0.1006 2  DG  C "C2'" 
1030 C "C1'" . DG  C 3  ? 0.3853 0.5986 0.3122 0.0287  -0.0258 -0.0974 2  DG  C "C1'" 
1031 N N9    . DG  C 3  ? 0.3625 0.6043 0.2961 0.0295  -0.0344 -0.0811 2  DG  C N9    
1032 C C8    . DG  C 3  ? 0.3709 0.6435 0.2944 0.0159  -0.0417 -0.0793 2  DG  C C8    
1033 N N7    . DG  C 3  ? 0.3631 0.6662 0.2966 0.0271  -0.0467 -0.0596 2  DG  C N7    
1034 C C5    . DG  C 3  ? 0.3313 0.6089 0.2760 0.0461  -0.0398 -0.0498 2  DG  C C5    
1035 C C6    . DG  C 3  ? 0.4065 0.6851 0.3558 0.0650  -0.0350 -0.0288 2  DG  C C6    
1036 O O6    . DG  C 3  ? 0.4061 0.7157 0.3543 0.0761  -0.0371 -0.0106 2  DG  C O6    
1037 N N1    . DG  C 3  ? 0.3334 0.5739 0.2859 0.0708  -0.0239 -0.0301 2  DG  C N1    
1038 C C2    . DG  C 3  ? 0.3767 0.5990 0.3344 0.0616  -0.0213 -0.0476 2  DG  C C2    
1039 N N2    . DG  C 3  ? 0.3336 0.5334 0.2947 0.0621  -0.0106 -0.0486 2  DG  C N2    
1040 N N3    . DG  C 3  ? 0.3165 0.5429 0.2730 0.0523  -0.0261 -0.0632 2  DG  C N3    
1041 C C4    . DG  C 3  ? 0.2976 0.5438 0.2444 0.0441  -0.0337 -0.0643 2  DG  C C4    
1042 P P     . DC  C 4  ? 0.3731 0.5854 0.3622 0.0718  -0.0122 -0.1039 3  DC  C P     
1043 O OP1   . DC  C 4  ? 0.3414 0.5628 0.3358 0.0894  -0.0057 -0.1094 3  DC  C OP1   
1044 O OP2   . DC  C 4  ? 0.4098 0.6364 0.4047 0.0605  -0.0087 -0.0997 3  DC  C OP2   
1045 O "O5'" . DC  C 4  ? 0.3094 0.5108 0.3026 0.0726  -0.0220 -0.0981 3  DC  C "O5'" 
1046 C "C5'" . DC  C 4  ? 0.3665 0.5817 0.3757 0.0796  -0.0255 -0.0977 3  DC  C "C5'" 
1047 C "C4'" . DC  C 4  ? 0.3379 0.5504 0.3514 0.0693  -0.0293 -0.0921 3  DC  C "C4'" 
1048 O "O4'" . DC  C 4  ? 0.3316 0.5230 0.3350 0.0689  -0.0341 -0.0850 3  DC  C "O4'" 
1049 C "C3'" . DC  C 4  ? 0.3052 0.5188 0.3162 0.0560  -0.0207 -0.0899 3  DC  C "C3'" 
1050 O "O3'" . DC  C 4  ? 0.3709 0.5816 0.3839 0.0466  -0.0176 -0.0907 3  DC  C "O3'" 
1051 C "C2'" . DC  C 4  ? 0.2841 0.4801 0.2807 0.0571  -0.0214 -0.0787 3  DC  C "C2'" 
1052 C "C1'" . DC  C 4  ? 0.2687 0.4565 0.2675 0.0627  -0.0303 -0.0761 3  DC  C "C1'" 
1053 N N1    . DC  C 4  ? 0.3110 0.4995 0.3006 0.0632  -0.0343 -0.0679 3  DC  C N1    
1054 C C2    . DC  C 4  ? 0.2946 0.4835 0.2799 0.0674  -0.0315 -0.0533 3  DC  C C2    
1055 O O2    . DC  C 4  ? 0.3266 0.4989 0.3102 0.0694  -0.0224 -0.0494 3  DC  C O2    
1056 N N3    . DC  C 4  ? 0.3301 0.5399 0.3107 0.0685  -0.0366 -0.0442 3  DC  C N3    
1057 C C4    . DC  C 4  ? 0.3127 0.5356 0.2889 0.0573  -0.0432 -0.0539 3  DC  C C4    
1058 N N4    . DC  C 4  ? 0.3195 0.5756 0.2907 0.0511  -0.0484 -0.0477 3  DC  C N4    
1059 C C5    . DC  C 4  ? 0.3197 0.5236 0.2928 0.0516  -0.0418 -0.0705 3  DC  C C5    
1060 C C6    . DC  C 4  ? 0.3391 0.5297 0.3211 0.0589  -0.0379 -0.0747 3  DC  C C6    
1061 P P     . DG  C 5  ? 0.3375 0.5781 0.3604 0.0304  -0.0109 -0.1030 4  DG  C P     
1062 O OP1   . DG  C 5  ? 0.3282 0.5847 0.3531 0.0254  -0.0023 -0.1064 4  DG  C OP1   
1063 O OP2   . DG  C 5  ? 0.3788 0.5950 0.3887 0.0136  -0.0022 -0.1042 4  DG  C OP2   
1064 O "O5'" . DG  C 5  ? 0.2927 0.5722 0.3327 0.0434  -0.0231 -0.1081 4  DG  C "O5'" 
1065 C "C5'" . DG  C 5  ? 0.3017 0.5723 0.3397 0.0496  -0.0317 -0.1053 4  DG  C "C5'" 
1066 C "C4'" . DG  C 5  ? 0.3490 0.6528 0.3976 0.0718  -0.0405 -0.1046 4  DG  C "C4'" 
1067 O "O4'" . DG  C 5  ? 0.3256 0.6103 0.3686 0.0912  -0.0382 -0.0998 4  DG  C "O4'" 
1068 C "C3'" . DG  C 5  ? 0.2888 0.5846 0.3324 0.0813  -0.0489 -0.1002 4  DG  C "C3'" 
1069 O "O3'" . DG  C 5  ? 0.3183 0.6631 0.3705 0.0688  -0.0518 -0.1080 4  DG  C "O3'" 
1070 C "C2'" . DG  C 5  ? 0.3147 0.6065 0.3547 0.1121  -0.0502 -0.0926 4  DG  C "C2'" 
1071 C "C1'" . DG  C 5  ? 0.3229 0.5956 0.3587 0.1140  -0.0418 -0.0938 4  DG  C "C1'" 
1072 N N9    . DG  C 5  ? 0.3371 0.5571 0.3545 0.1124  -0.0393 -0.0909 4  DG  C N9    
1073 C C8    . DG  C 5  ? 0.2808 0.4699 0.2801 0.1253  -0.0312 -0.0906 4  DG  C C8    
1074 N N7    . DG  C 5  ? 0.3796 0.5337 0.3634 0.1116  -0.0304 -0.0914 4  DG  C N7    
1075 C C5    . DG  C 5  ? 0.3523 0.5183 0.3476 0.0962  -0.0388 -0.0883 4  DG  C C5    
1076 C C6    . DG  C 5  ? 0.3928 0.5476 0.3825 0.0821  -0.0417 -0.0846 4  DG  C C6    
1077 O O6    . DG  C 5  ? 0.3695 0.5093 0.3445 0.0732  -0.0398 -0.0862 4  DG  C O6    
1078 N N1    . DG  C 5  ? 0.3022 0.4685 0.3022 0.0773  -0.0448 -0.0789 4  DG  C N1    
1079 C C2    . DG  C 5  ? 0.3150 0.4947 0.3247 0.0770  -0.0440 -0.0809 4  DG  C C2    
1080 N N2    . DG  C 5  ? 0.2849 0.4575 0.2929 0.0699  -0.0407 -0.0761 4  DG  C N2    
1081 N N3    . DG  C 5  ? 0.3061 0.5075 0.3237 0.0827  -0.0440 -0.0873 4  DG  C N3    
1082 C C4    . DG  C 5  ? 0.3240 0.5206 0.3360 0.0961  -0.0421 -0.0886 4  DG  C C4    
1083 P P     . DC  C 6  ? 0.4691 0.8211 0.5145 0.0666  -0.0595 -0.1084 5  DC  C P     
1084 O OP1   . DC  C 6  ? 0.4839 0.8448 0.5285 0.1010  -0.0668 -0.0967 5  DC  C OP1   
1085 O OP2   . DC  C 6  ? 0.4479 0.8500 0.4974 0.0367  -0.0581 -0.1231 5  DC  C OP2   
1086 O "O5'" . DC  C 6  ? 0.3338 0.6178 0.3618 0.0570  -0.0545 -0.1049 5  DC  C "O5'" 
1087 C "C5'" . DC  C 6  ? 0.2867 0.5601 0.3027 0.0493  -0.0563 -0.1066 5  DC  C "C5'" 
1088 C "C4'" . DC  C 6  ? 0.3546 0.5674 0.3569 0.0498  -0.0491 -0.0987 5  DC  C "C4'" 
1089 O "O4'" . DC  C 6  ? 0.2972 0.4950 0.3021 0.0724  -0.0554 -0.0871 5  DC  C "O4'" 
1090 C "C3'" . DC  C 6  ? 0.3157 0.4981 0.3123 0.0397  -0.0358 -0.0971 5  DC  C "C3'" 
1091 O "O3'" . DC  C 6  ? 0.3247 0.4632 0.3025 0.0356  -0.0236 -0.0923 5  DC  C "O3'" 
1092 C "C2'" . DC  C 6  ? 0.2797 0.4556 0.2842 0.0579  -0.0409 -0.0864 5  DC  C "C2'" 
1093 C "C1'" . DC  C 6  ? 0.3076 0.4779 0.3109 0.0720  -0.0495 -0.0807 5  DC  C "C1'" 
1094 N N1    . DC  C 6  ? 0.2701 0.4370 0.2755 0.0848  -0.0536 -0.0761 5  DC  C N1    
1095 C C2    . DC  C 6  ? 0.3185 0.4661 0.3188 0.0845  -0.0521 -0.0691 5  DC  C C2    
1096 O O2    . DC  C 6  ? 0.3117 0.4514 0.3098 0.0810  -0.0485 -0.0628 5  DC  C O2    
1097 N N3    . DC  C 6  ? 0.3431 0.4830 0.3381 0.0872  -0.0523 -0.0696 5  DC  C N3    
1098 C C4    . DC  C 6  ? 0.3015 0.4416 0.2934 0.0969  -0.0511 -0.0742 5  DC  C C4    
1099 N N4    . DC  C 6  ? 0.3027 0.4198 0.2795 0.0972  -0.0452 -0.0763 5  DC  C N4    
1100 C C5    . DC  C 6  ? 0.2635 0.4302 0.2646 0.1058  -0.0533 -0.0771 5  DC  C C5    
1101 C C6    . DC  C 6  ? 0.2748 0.4596 0.2838 0.0960  -0.0560 -0.0793 5  DC  C C6    
1102 P P     . DG  C 7  ? 0.3710 0.4810 0.3240 0.0094  -0.0030 -0.1035 6  DG  C P     
1103 O OP1   . DG  C 7  ? 0.3747 0.5012 0.3292 -0.0109 0.0044  -0.1143 6  DG  C OP1   
1104 O OP2   . DG  C 7  ? 0.3955 0.4503 0.3274 0.0206  0.0140  -0.0899 6  DG  C OP2   
1105 O "O5'" . DG  C 7  ? 0.3657 0.4987 0.3135 -0.0042 -0.0100 -0.1169 6  DG  C "O5'" 
1106 C "C5'" . DG  C 7  ? 0.3574 0.4772 0.3006 0.0111  -0.0159 -0.1093 6  DG  C "C5'" 
1107 C "C4'" . DG  C 7  ? 0.3604 0.5202 0.3009 -0.0003 -0.0268 -0.1217 6  DG  C "C4'" 
1108 O "O4'" . DG  C 7  ? 0.3198 0.5420 0.2853 0.0111  -0.0451 -0.1209 6  DG  C "O4'" 
1109 C "C3'" . DG  C 7  ? 0.3433 0.4891 0.2752 0.0143  -0.0319 -0.1143 6  DG  C "C3'" 
1110 O "O3'" . DG  C 7  ? 0.3778 0.4916 0.2788 -0.0078 -0.0160 -0.1260 6  DG  C "O3'" 
1111 C "C2'" . DG  C 7  ? 0.3479 0.5524 0.2925 0.0260  -0.0522 -0.1138 6  DG  C "C2'" 
1112 C "C1'" . DG  C 7  ? 0.4134 0.6665 0.3794 0.0254  -0.0589 -0.1173 6  DG  C "C1'" 
1113 N N9    . DG  C 7  ? 0.3112 0.5773 0.2948 0.0573  -0.0690 -0.1029 6  DG  C N9    
1114 C C8    . DG  C 7  ? 0.3904 0.7145 0.3870 0.0740  -0.0791 -0.1002 6  DG  C C8    
1115 N N7    . DG  C 7  ? 0.2561 0.5628 0.2575 0.1022  -0.0797 -0.0872 6  DG  C N7    
1116 C C5    . DG  C 7  ? 0.2829 0.5273 0.2774 0.0981  -0.0727 -0.0832 6  DG  C C5    
1117 C C6    . DG  C 7  ? 0.3487 0.5549 0.3408 0.1125  -0.0691 -0.0739 6  DG  C C6    
1118 O O6    . DG  C 7  ? 0.3672 0.5718 0.3573 0.1325  -0.0679 -0.0681 6  DG  C O6    
1119 N N1    . DG  C 7  ? 0.3040 0.4726 0.2920 0.1012  -0.0638 -0.0719 6  DG  C N1    
1120 C C2    . DG  C 7  ? 0.2880 0.4466 0.2719 0.0856  -0.0590 -0.0753 6  DG  C C2    
1121 N N2    . DG  C 7  ? 0.2790 0.4093 0.2602 0.0843  -0.0525 -0.0683 6  DG  C N2    
1122 N N3    . DG  C 7  ? 0.3180 0.4942 0.2971 0.0714  -0.0580 -0.0853 6  DG  C N3    
1123 C C4    . DG  C 7  ? 0.3250 0.5485 0.3110 0.0751  -0.0667 -0.0903 6  DG  C C4    
1124 P P     . DC  C 8  ? 0.4467 0.4998 0.3282 0.0065  -0.0013 -0.1145 7  DC  C P     
1125 O OP1   . DC  C 8  ? 0.4764 0.5051 0.3218 -0.0184 0.0135  -0.1310 7  DC  C OP1   
1126 O OP2   . DC  C 8  ? 0.4423 0.4586 0.3274 0.0217  0.0123  -0.0997 7  DC  C OP2   
1127 O "O5'" . DC  C 8  ? 0.3273 0.4051 0.2282 0.0339  -0.0211 -0.0998 7  DC  C "O5'" 
1128 C "C5'" . DC  C 8  ? 0.3682 0.4171 0.2569 0.0459  -0.0148 -0.0909 7  DC  C "C5'" 
1129 C "C4'" . DC  C 8  ? 0.3223 0.3779 0.2328 0.0699  -0.0242 -0.0729 7  DC  C "C4'" 
1130 O "O4'" . DC  C 8  ? 0.4261 0.5160 0.3474 0.0772  -0.0422 -0.0724 7  DC  C "O4'" 
1131 C "C3'" . DC  C 8  ? 0.4044 0.4585 0.3328 0.0774  -0.0217 -0.0635 7  DC  C "C3'" 
1132 O "O3'" . DC  C 8  ? 0.3518 0.4033 0.2885 0.0917  -0.0203 -0.0486 7  DC  C "O3'" 
1133 C "C2'" . DC  C 8  ? 0.3235 0.4105 0.2690 0.0782  -0.0379 -0.0670 7  DC  C "C2'" 
1134 C "C1'" . DC  C 8  ? 0.3202 0.4161 0.2606 0.0870  -0.0471 -0.0647 7  DC  C "C1'" 
1135 N N1    . DC  C 8  ? 0.3433 0.4699 0.2907 0.0948  -0.0591 -0.0665 7  DC  C N1    
1136 C C2    . DC  C 8  ? 0.3438 0.4635 0.2972 0.1079  -0.0612 -0.0585 7  DC  C C2    
1137 O O2    . DC  C 8  ? 0.3043 0.4018 0.2591 0.1064  -0.0558 -0.0527 7  DC  C O2    
1138 N N3    . DC  C 8  ? 0.3567 0.4961 0.3111 0.1217  -0.0665 -0.0576 7  DC  C N3    
1139 C C4    . DC  C 8  ? 0.4007 0.5828 0.3568 0.1235  -0.0735 -0.0628 7  DC  C C4    
1140 N N4    . DC  C 8  ? 0.3010 0.5091 0.2591 0.1448  -0.0769 -0.0575 7  DC  C N4    
1141 C C5    . DC  C 8  ? 0.3655 0.5665 0.3180 0.1028  -0.0746 -0.0739 7  DC  C C5    
1142 C C6    . DC  C 8  ? 0.3222 0.4853 0.2672 0.0887  -0.0654 -0.0761 7  DC  C C6    
1143 P P     . DG  C 9  ? 0.3638 0.3957 0.2939 0.1029  -0.0015 -0.0356 8  DG  C P     
1144 O OP1   . DG  C 9  ? 0.3695 0.3805 0.2894 0.1034  0.0140  -0.0345 8  DG  C OP1   
1145 O OP2   . DG  C 9  ? 0.3389 0.3978 0.2873 0.1115  -0.0078 -0.0231 8  DG  C OP2   
1146 O "O5'" . DG  C 9  ? 0.3962 0.4004 0.3021 0.1021  0.0100  -0.0394 8  DG  C "O5'" 
1147 C "C5'" . DG  C 9  ? 0.3415 0.3549 0.2489 0.1056  0.0031  -0.0362 8  DG  C "C5'" 
1148 C "C4'" . DG  C 9  ? 0.4003 0.3862 0.2786 0.1006  0.0137  -0.0442 8  DG  C "C4'" 
1149 O "O4'" . DG  C 9  ? 0.3998 0.3830 0.2621 0.0812  0.0100  -0.0628 8  DG  C "O4'" 
1150 C "C3'" . DG  C 9  ? 0.3900 0.3838 0.2648 0.1039  0.0066  -0.0412 8  DG  C "C3'" 
1151 O "O3'" . DG  C 9  ? 0.4465 0.4280 0.3180 0.1161  0.0232  -0.0294 8  DG  C "O3'" 
1152 C "C2'" . DG  C 9  ? 0.3890 0.3743 0.2359 0.0906  0.0052  -0.0567 8  DG  C "C2'" 
1153 C "C1'" . DG  C 9  ? 0.4346 0.4225 0.2783 0.0739  0.0046  -0.0712 8  DG  C "C1'" 
1154 N N9    . DG  C 9  ? 0.3948 0.4248 0.2469 0.0661  -0.0163 -0.0796 8  DG  C N9    
1155 C C8    . DG  C 9  ? 0.4152 0.4681 0.2506 0.0453  -0.0209 -0.0973 8  DG  C C8    
1156 N N7    . DG  C 9  ? 0.4136 0.5176 0.2650 0.0493  -0.0403 -0.0973 8  DG  C N7    
1157 C C5    . DG  C 9  ? 0.3726 0.4726 0.2469 0.0730  -0.0462 -0.0802 8  DG  C C5    
1158 C C6    . DG  C 9  ? 0.3763 0.5067 0.2673 0.0900  -0.0599 -0.0720 8  DG  C C6    
1159 O O6    . DG  C 9  ? 0.3795 0.5567 0.2732 0.0935  -0.0715 -0.0750 8  DG  C O6    
1160 N N1    . DG  C 9  ? 0.3365 0.4407 0.2391 0.1038  -0.0568 -0.0592 8  DG  C N1    
1161 C C2    . DG  C 9  ? 0.3896 0.4618 0.2940 0.1017  -0.0456 -0.0537 8  DG  C C2    
1162 N N2    . DG  C 9  ? 0.3700 0.4329 0.2855 0.1086  -0.0446 -0.0443 8  DG  C N2    
1163 N N3    . DG  C 9  ? 0.3304 0.3831 0.2237 0.0932  -0.0336 -0.0572 8  DG  C N3    
1164 C C4    . DG  C 9  ? 0.3881 0.4476 0.2638 0.0793  -0.0330 -0.0709 8  DG  C C4    
1165 P P     . DC  C 10 ? 0.4396 0.4448 0.3284 0.1234  0.0200  -0.0157 9  DC  C P     
1166 O OP1   . DC  C 10 ? 0.4524 0.4428 0.3257 0.1320  0.0373  -0.0097 9  DC  C OP1   
1167 O OP2   . DC  C 10 ? 0.4445 0.4806 0.3611 0.1268  0.0168  -0.0063 9  DC  C OP2   
1168 O "O5'" . DC  C 10 ? 0.3975 0.4065 0.2813 0.1155  0.0029  -0.0217 9  DC  C "O5'" 
1169 C "C5'" . DC  C 10 ? 0.5090 0.5200 0.3915 0.1160  0.0044  -0.0138 9  DC  C "C5'" 
1170 C "C4'" . DC  C 10 ? 0.4831 0.4938 0.3654 0.1127  -0.0071 -0.0145 9  DC  C "C4'" 
1171 O "O4'" . DC  C 10 ? 0.4595 0.4634 0.3217 0.1184  -0.0157 -0.0199 9  DC  C "O4'" 
1172 C "C3'" . DC  C 10 ? 0.4195 0.4447 0.3220 0.1082  -0.0146 -0.0173 9  DC  C "C3'" 
1173 O "O3'" . DC  C 10 ? 0.4010 0.4219 0.3040 0.1000  -0.0129 -0.0147 9  DC  C "O3'" 
1174 C "C2'" . DC  C 10 ? 0.4073 0.4323 0.3027 0.1129  -0.0259 -0.0252 9  DC  C "C2'" 
1175 C "C1'" . DC  C 10 ? 0.4348 0.4480 0.3047 0.1208  -0.0264 -0.0228 9  DC  C "C1'" 
1176 N N1    . DC  C 10 ? 0.4841 0.5156 0.3446 0.1242  -0.0366 -0.0305 9  DC  C N1    
1177 C C2    . DC  C 10 ? 0.4374 0.4837 0.2955 0.1365  -0.0460 -0.0282 9  DC  C C2    
1178 O O2    . DC  C 10 ? 0.4318 0.4596 0.2895 0.1445  -0.0422 -0.0205 9  DC  C O2    
1179 N N3    . DC  C 10 ? 0.4254 0.5082 0.2792 0.1384  -0.0566 -0.0348 9  DC  C N3    
1180 C C4    . DC  C 10 ? 0.4194 0.5148 0.2661 0.1216  -0.0567 -0.0472 9  DC  C C4    
1181 N N4    . DC  C 10 ? 0.4207 0.5627 0.2618 0.1166  -0.0674 -0.0564 9  DC  C N4    
1182 C C5    . DC  C 10 ? 0.4365 0.4990 0.2784 0.1091  -0.0431 -0.0507 9  DC  C C5    
1183 C C6    . DC  C 10 ? 0.3917 0.4275 0.2433 0.1146  -0.0341 -0.0401 9  DC  C C6    
1184 P P     . DG  C 11 ? 0.4466 0.4942 0.3678 0.0847  -0.0057 -0.0109 10 DG  C P     
1185 O OP1   . DG  C 11 ? 0.4007 0.4822 0.3447 0.0898  -0.0076 -0.0081 10 DG  C OP1   
1186 O OP2   . DG  C 11 ? 0.4088 0.4395 0.3193 0.0691  -0.0031 -0.0154 10 DG  C OP2   
1187 O "O5'" . DG  C 11 ? 0.4257 0.4738 0.3398 0.0835  0.0065  -0.0037 10 DG  C "O5'" 
1188 C "C5'" . DG  C 11 ? 0.3855 0.3976 0.2724 0.0818  0.0129  -0.0026 10 DG  C "C5'" 
1189 C "C4'" . DG  C 11 ? 0.4042 0.4218 0.2867 0.0842  0.0243  0.0043  10 DG  C "C4'" 
1190 O "O4'" . DG  C 11 ? 0.4385 0.4570 0.3206 0.1015  0.0223  0.0043  10 DG  C "O4'" 
1191 C "C3'" . DG  C 11 ? 0.4659 0.4444 0.3158 0.0838  0.0334  0.0077  10 DG  C "C3'" 
1192 O "O3'" . DG  C 11 ? 0.5577 0.5392 0.4073 0.0600  0.0461  0.0083  10 DG  C "O3'" 
1193 C "C2'" . DG  C 11 ? 0.4147 0.3960 0.2579 0.0960  0.0391  0.0118  10 DG  C "C2'" 
1194 C "C1'" . DG  C 11 ? 0.4752 0.4766 0.3363 0.1069  0.0322  0.0080  10 DG  C "C1'" 
1195 N N9    . DG  C 11 ? 0.4684 0.4507 0.3101 0.1169  0.0245  0.0010  10 DG  C N9    
1196 C C8    . DG  C 11 ? 0.5055 0.4813 0.3369 0.1230  0.0311  -0.0031 10 DG  C C8    
1197 N N7    . DG  C 11 ? 0.5017 0.4680 0.3140 0.1224  0.0218  -0.0133 10 DG  C N7    
1198 C C5    . DG  C 11 ? 0.4432 0.4155 0.2572 0.1231  0.0074  -0.0121 10 DG  C C5    
1199 C C6    . DG  C 11 ? 0.4749 0.4565 0.2760 0.1266  -0.0070 -0.0178 10 DG  C C6    
1200 O O6    . DG  C 11 ? 0.4948 0.4872 0.2812 0.1224  -0.0121 -0.0284 10 DG  C O6    
1201 N N1    . DG  C 11 ? 0.4536 0.4345 0.2573 0.1347  -0.0136 -0.0106 10 DG  C N1    
1202 C C2    . DG  C 11 ? 0.5030 0.4669 0.3148 0.1316  -0.0053 -0.0031 10 DG  C C2    
1203 N N2    . DG  C 11 ? 0.4829 0.4334 0.2858 0.1401  -0.0071 0.0018  10 DG  C N2    
1204 N N3    . DG  C 11 ? 0.4609 0.4242 0.2861 0.1203  0.0061  -0.0009 10 DG  C N3    
1205 C C4    . DG  C 11 ? 0.4434 0.4158 0.2716 0.1201  0.0110  -0.0037 10 DG  C C4    
1206 P P     . DC  C 12 ? 0.6937 0.6309 0.5068 0.0507  0.0644  0.0129  11 DC  C P     
1207 O OP1   . DC  C 12 ? 0.6748 0.6233 0.4859 0.0592  0.0716  0.0198  11 DC  C OP1   
1208 O OP2   . DC  C 12 ? 0.7340 0.6693 0.5445 0.0166  0.0772  0.0067  11 DC  C OP2   
1209 O "O5'" . DC  C 12 ? 0.6127 0.4934 0.3892 0.0723  0.0607  0.0158  11 DC  C "O5'" 
1210 C "C5'" . DC  C 12 ? 0.6207 0.4423 0.3543 0.0683  0.0796  0.0213  11 DC  C "C5'" 
1211 C "C4'" . DC  C 12 ? 0.6863 0.4716 0.3874 0.1030  0.0747  0.0306  11 DC  C "C4'" 
1212 O "O4'" . DC  C 12 ? 0.6779 0.4910 0.3812 0.1233  0.0616  0.0348  11 DC  C "O4'" 
1213 C "C3'" . DC  C 12 ? 0.6808 0.4741 0.3936 0.1167  0.0602  0.0263  11 DC  C "C3'" 
1214 O "O3'" . DC  C 12 ? 0.7352 0.4804 0.4066 0.1439  0.0692  0.0380  11 DC  C "O3'" 
1215 C "C2'" . DC  C 12 ? 0.6256 0.4736 0.3666 0.1311  0.0366  0.0229  11 DC  C "C2'" 
1216 C "C1'" . DC  C 12 ? 0.6474 0.4847 0.3601 0.1441  0.0414  0.0326  11 DC  C "C1'" 
1217 N N1    . DC  C 12 ? 0.5702 0.4492 0.2989 0.1468  0.0276  0.0265  11 DC  C N1    
1218 C C2    . DC  C 12 ? 0.5657 0.4686 0.2857 0.1654  0.0116  0.0258  11 DC  C C2    
1219 O O2    . DC  C 12 ? 0.5732 0.4703 0.2769 0.1858  0.0081  0.0340  11 DC  C O2    
1220 N N3    . DC  C 12 ? 0.5643 0.4969 0.2905 0.1600  0.0032  0.0159  11 DC  C N3    
1221 C C4    . DC  C 12 ? 0.4901 0.4213 0.2290 0.1450  0.0124  0.0103  11 DC  C C4    
1222 N N4    . DC  C 12 ? 0.5508 0.4966 0.2858 0.1403  0.0099  -0.0003 11 DC  C N4    
1223 C C5    . DC  C 12 ? 0.4886 0.4062 0.2421 0.1334  0.0271  0.0150  11 DC  C C5    
1224 C C6    . DC  C 12 ? 0.5103 0.4059 0.2588 0.1308  0.0330  0.0213  11 DC  C C6    
1225 P P     . DG  C 13 ? 0.8501 0.5218 0.4843 0.1349  0.0964  0.0388  12 DG  C P     
1226 O OP1   . DG  C 13 ? 0.8406 0.5353 0.5071 0.1007  0.0927  0.0208  12 DG  C OP1   
1227 O OP2   . DG  C 13 ? 0.9281 0.5660 0.5270 0.1791  0.1010  0.0545  12 DG  C OP2   
1228 O "O5'" . DG  C 13 ? 0.8504 0.4698 0.4474 0.1131  0.1252  0.0434  12 DG  C "O5'" 
1229 C "C5'" . DG  C 13 ? 0.9036 0.4871 0.4587 0.1393  0.1370  0.0618  12 DG  C "C5'" 
1230 C "C4'" . DG  C 13 ? 0.9964 0.5472 0.5308 0.1050  0.1624  0.0603  12 DG  C "C4'" 
1231 O "O4'" . DG  C 13 ? 0.9708 0.5947 0.5592 0.0718  0.1480  0.0458  12 DG  C "O4'" 
1232 C "C3'" . DG  C 13 ? 1.0575 0.5817 0.5530 0.1286  0.1729  0.0791  12 DG  C "C3'" 
1233 O "O3'" . DG  C 13 ? 1.1610 0.5891 0.5868 0.1476  0.2058  0.0957  12 DG  C "O3'" 
1234 C "C2'" . DG  C 13 ? 0.9632 0.5103 0.4759 0.0880  0.1819  0.0703  12 DG  C "C2'" 
1235 C "C1'" . DG  C 13 ? 0.9017 0.5269 0.4803 0.0608  0.1602  0.0510  12 DG  C "C1'" 
1236 N N9    . DG  C 13 ? 0.8330 0.5334 0.4559 0.0716  0.1349  0.0490  12 DG  C N9    
1237 C C8    . DG  C 13 ? 0.7273 0.4867 0.3909 0.0487  0.1321  0.0413  12 DG  C C8    
1238 N N7    . DG  C 13 ? 0.7035 0.5072 0.3916 0.0685  0.1138  0.0416  12 DG  C N7    
1239 C C5    . DG  C 13 ? 0.6429 0.4245 0.3080 0.1000  0.1009  0.0472  12 DG  C C5    
1240 C C6    . DG  C 13 ? 0.6799 0.4906 0.3509 0.1232  0.0813  0.0463  12 DG  C C6    
1241 O O6    . DG  C 13 ? 0.6207 0.4671 0.3136 0.1214  0.0751  0.0401  12 DG  C O6    
1242 N N1    . DG  C 13 ? 0.6918 0.4861 0.3352 0.1498  0.0719  0.0534  12 DG  C N1    
1243 C C2    . DG  C 13 ? 0.7414 0.4879 0.3531 0.1611  0.0833  0.0639  12 DG  C C2    
1244 N N2    . DG  C 13 ? 0.7361 0.4837 0.3252 0.1950  0.0732  0.0743  12 DG  C N2    
1245 N N3    . DG  C 13 ? 0.7609 0.4615 0.3597 0.1402  0.1063  0.0644  12 DG  C N3    
1246 C C4    . DG  C 13 ? 0.6950 0.4197 0.3227 0.1064  0.1126  0.0541  12 DG  C C4    
# 
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 ?  ?   ?   A . n 
A 1 2  SER 2  0  ?  ?   ?   A . n 
A 1 3  HIS 3  1  ?  ?   ?   A . n 
A 1 4  MET 4  2  ?  ?   ?   A . n 
A 1 5  ALA 5  3  ?  ?   ?   A . n 
A 1 6  SER 6  4  ?  ?   ?   A . n 
A 1 7  SER 7  5  ?  ?   ?   A . n 
A 1 8  ALA 8  6  ?  ?   ?   A . n 
A 1 9  GLU 9  7  ?  ?   ?   A . n 
A 1 10 ASN 10 8  ?  ?   ?   A . n 
A 1 11 GLU 11 9  9  GLU GLU A . n 
A 1 12 ILE 12 10 10 ILE ILE A . n 
A 1 13 GLU 13 11 11 GLU GLU A . n 
A 1 14 MET 14 12 12 MET MET A . n 
A 1 15 ARG 15 13 13 ARG ARG A . n 
A 1 16 ILE 16 14 14 ILE ILE A . n 
A 1 17 CYS 17 15 15 CYS CYS A . n 
A 1 18 ASP 18 16 16 ASP ASP A . n 
A 1 19 TYR 19 17 17 TYR TYR A . n 
A 1 20 LEU 20 18 18 LEU LEU A . n 
A 1 21 ARG 21 19 19 ARG ARG A . n 
A 1 22 ARG 22 20 20 ARG ARG A . n 
A 1 23 HIS 23 21 21 HIS HIS A . n 
A 1 24 GLY 24 22 22 GLY GLY A . n 
A 1 25 ARG 25 23 23 ARG ARG A . n 
A 1 26 SER 26 24 24 SER SER A . n 
A 1 27 THR 27 25 25 THR THR A . n 
A 1 28 VAL 28 26 26 VAL VAL A . n 
A 1 29 GLN 29 27 27 GLN GLN A . n 
A 1 30 ASP 30 28 28 ASP ASP A . n 
A 1 31 ILE 31 29 29 ILE ILE A . n 
A 1 32 PHE 32 30 30 PHE PHE A . n 
A 1 33 LYS 33 31 31 LYS LYS A . n 
A 1 34 GLU 34 32 32 GLU GLU A . n 
A 1 35 LEU 35 33 33 LEU LEU A . n 
A 1 36 LYS 36 34 34 LYS LYS A . n 
A 1 37 LEU 37 35 35 LEU LEU A . n 
A 1 38 GLU 38 36 36 GLU GLU A . n 
A 1 39 LYS 39 37 37 LYS LYS A . n 
A 1 40 SER 40 38 38 SER SER A . n 
A 1 41 THR 41 39 39 THR THR A . n 
A 1 42 VAL 42 40 40 VAL VAL A . n 
A 1 43 ASN 43 41 41 ASN ASN A . n 
A 1 44 ARG 44 42 42 ARG ARG A . n 
A 1 45 HIS 45 43 43 HIS HIS A . n 
A 1 46 LEU 46 44 44 LEU LEU A . n 
A 1 47 TYR 47 45 45 TYR TYR A . n 
A 1 48 SER 48 46 46 SER SER A . n 
A 1 49 LEU 49 47 47 LEU LEU A . n 
A 1 50 GLN 50 48 48 GLN GLN A . n 
A 1 51 ALA 51 49 49 ALA ALA A . n 
A 1 52 SER 52 50 50 SER SER A . n 
A 1 53 LYS 53 51 51 LYS LYS A . n 
A 1 54 GLN 54 52 52 GLN GLN A . n 
A 1 55 VAL 55 53 53 VAL VAL A . n 
A 1 56 PHE 56 54 54 PHE PHE A . n 
A 1 57 LYS 57 55 55 LYS LYS A . n 
A 1 58 THR 58 56 56 THR THR A . n 
A 1 59 VAL 59 57 57 VAL VAL A . n 
A 1 60 GLU 60 58 ?  ?   ?   A . n 
A 1 61 ASP 61 59 ?  ?   ?   A . n 
A 1 62 ASN 62 60 ?  ?   ?   A . n 
A 1 63 LYS 63 61 61 LYS LYS A . n 
A 1 64 ARG 64 62 62 ARG ARG A . n 
A 1 65 PRO 65 63 63 PRO PRO A . n 
A 1 66 VAL 66 64 64 VAL VAL A . n 
A 1 67 TRP 67 65 65 TRP TRP A . n 
A 1 68 ASN 68 66 66 ASN ASN A . n 
A 1 69 LEU 69 67 67 LEU LEU A . n 
A 1 70 VAL 70 68 68 VAL VAL A . n 
A 1 71 GLU 71 69 ?  ?   ?   A . n 
A 1 72 SER 72 70 ?  ?   ?   A . n 
B 1 1  GLY 1  -1 ?  ?   ?   B . n 
B 1 2  SER 2  0  ?  ?   ?   B . n 
B 1 3  HIS 3  1  ?  ?   ?   B . n 
B 1 4  MET 4  2  ?  ?   ?   B . n 
B 1 5  ALA 5  3  ?  ?   ?   B . n 
B 1 6  SER 6  4  ?  ?   ?   B . n 
B 1 7  SER 7  5  ?  ?   ?   B . n 
B 1 8  ALA 8  6  ?  ?   ?   B . n 
B 1 9  GLU 9  7  7  GLU GLU B . n 
B 1 10 ASN 10 8  8  ASN ASN B . n 
B 1 11 GLU 11 9  9  GLU GLU B . n 
B 1 12 ILE 12 10 10 ILE ILE B . n 
B 1 13 GLU 13 11 11 GLU GLU B . n 
B 1 14 MET 14 12 12 MET MET B . n 
B 1 15 ARG 15 13 13 ARG ARG B . n 
B 1 16 ILE 16 14 14 ILE ILE B . n 
B 1 17 CYS 17 15 15 CYS CYS B . n 
B 1 18 ASP 18 16 16 ASP ASP B . n 
B 1 19 TYR 19 17 17 TYR TYR B . n 
B 1 20 LEU 20 18 18 LEU LEU B . n 
B 1 21 ARG 21 19 19 ARG ARG B . n 
B 1 22 ARG 22 20 20 ARG ARG B . n 
B 1 23 HIS 23 21 21 HIS HIS B . n 
B 1 24 GLY 24 22 22 GLY GLY B . n 
B 1 25 ARG 25 23 23 ARG ARG B . n 
B 1 26 SER 26 24 24 SER SER B . n 
B 1 27 THR 27 25 25 THR THR B . n 
B 1 28 VAL 28 26 26 VAL VAL B . n 
B 1 29 GLN 29 27 27 GLN GLN B . n 
B 1 30 ASP 30 28 28 ASP ASP B . n 
B 1 31 ILE 31 29 29 ILE ILE B . n 
B 1 32 PHE 32 30 30 PHE PHE B . n 
B 1 33 LYS 33 31 31 LYS LYS B . n 
B 1 34 GLU 34 32 32 GLU GLU B . n 
B 1 35 LEU 35 33 33 LEU LEU B . n 
B 1 36 LYS 36 34 34 LYS LYS B . n 
B 1 37 LEU 37 35 35 LEU LEU B . n 
B 1 38 GLU 38 36 36 GLU GLU B . n 
B 1 39 LYS 39 37 37 LYS LYS B . n 
B 1 40 SER 40 38 38 SER SER B . n 
B 1 41 THR 41 39 39 THR THR B . n 
B 1 42 VAL 42 40 40 VAL VAL B . n 
B 1 43 ASN 43 41 41 ASN ASN B . n 
B 1 44 ARG 44 42 42 ARG ARG B . n 
B 1 45 HIS 45 43 43 HIS HIS B . n 
B 1 46 LEU 46 44 44 LEU LEU B . n 
B 1 47 TYR 47 45 45 TYR TYR B . n 
B 1 48 SER 48 46 46 SER SER B . n 
B 1 49 LEU 49 47 47 LEU LEU B . n 
B 1 50 GLN 50 48 48 GLN GLN B . n 
B 1 51 ALA 51 49 49 ALA ALA B . n 
B 1 52 SER 52 50 50 SER SER B . n 
B 1 53 LYS 53 51 51 LYS LYS B . n 
B 1 54 GLN 54 52 52 GLN GLN B . n 
B 1 55 VAL 55 53 53 VAL VAL B . n 
B 1 56 PHE 56 54 54 PHE PHE B . n 
B 1 57 LYS 57 55 55 LYS LYS B . n 
B 1 58 THR 58 56 56 THR THR B . n 
B 1 59 VAL 59 57 57 VAL VAL B . n 
B 1 60 GLU 60 58 58 GLU GLU B . n 
B 1 61 ASP 61 59 59 ASP ASP B . n 
B 1 62 ASN 62 60 60 ASN ASN B . n 
B 1 63 LYS 63 61 61 LYS LYS B . n 
B 1 64 ARG 64 62 62 ARG ARG B . n 
B 1 65 PRO 65 63 63 PRO PRO B . n 
B 1 66 VAL 66 64 64 VAL VAL B . n 
B 1 67 TRP 67 65 65 TRP TRP B . n 
B 1 68 ASN 68 66 66 ASN ASN B . n 
B 1 69 LEU 69 67 67 LEU LEU B . n 
B 1 70 VAL 70 68 68 VAL VAL B . n 
B 1 71 GLU 71 69 69 GLU GLU B . n 
B 1 72 SER 72 70 ?  ?   ?   B . n 
C 2 1  DT  1  0  0  DT  DT  C . n 
C 2 2  DC  2  1  1  DC  DC  C . n 
C 2 3  DG  3  2  2  DG  DG  C . n 
C 2 4  DC  4  3  3  DC  DC  C . n 
C 2 5  DG  5  4  4  DG  DG  C . n 
C 2 6  DC  6  5  5  DC  DC  C . n 
C 2 7  DG  7  6  6  DG  DG  C . n 
C 2 8  DC  8  7  7  DC  DC  C . n 
C 2 9  DG  9  8  8  DG  DG  C . n 
C 2 10 DC  10 9  9  DC  DC  C . n 
C 2 11 DG  11 10 10 DG  DG  C . n 
C 2 12 DC  12 11 11 DC  DC  C . n 
C 2 13 DG  13 12 12 DG  DG  C . n 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   hexameric 
_pdbx_struct_assembly.oligomeric_count     6 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G,H,I 
# 
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)' 6390  ? 
1 MORE         -51   ? 
1 'SSA (A^2)'  16340 ? 
# 
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' 10_554 -y,-x,-z-1/6 0.5000000000 -0.8660254038 0.0000000000 0.0000000000 -0.8660254038 
-0.5000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 -36.4616666667 
# 
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 C HOH 132 ? I HOH . 
2 1 C HOH 149 ? I 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 -41.9703 9.9961  -3.6062  0.2512 0.9225 0.7245 0.0023 0.0567  -0.2697 8.3084 4.6754 5.5586 -3.8165 
4.6189  0.6409  0.1098  -0.2357 -0.6282 0.7331  -0.5397 1.4338  1.1461  -1.0677 -0.0937 
'X-RAY DIFFRACTION' 2 ? refined -34.3158 16.2834 -5.3033  0.2657 0.5418 0.4410 0.0975 0.0145  -0.1597 7.3137 6.1943 6.8779 -1.1486 
0.6668  1.2298  -0.2336 -0.2734 0.2581  0.2087  0.0786  0.5567  -0.4256 -0.4075 0.1048  
'X-RAY DIFFRACTION' 3 ? refined -11.5153 -9.6143 -24.5172 0.6011 0.4596 0.6386 0.2332 -0.1140 -0.0694 2.6641 8.1820 8.9641 0.9286  
-0.0505 5.2665  0.2003  -0.2279 -1.4957 0.3124  -0.1057 -0.9925 1.1401  0.6990  -0.3932 
'X-RAY DIFFRACTION' 4 ? refined -16.3239 -4.7903 -16.8146 0.5636 0.3391 0.3572 0.0616 -0.0242 0.0578  1.7274 8.5269 8.4793 1.8129  
0.1674  5.0263  0.2559  -0.8430 -1.0200 0.7690  -0.2791 0.0018  1.4374  -0.2905 -0.0187 
'X-RAY DIFFRACTION' 5 ? refined -17.9266 -1.1573 -28.0775 0.4789 0.4055 0.3619 0.1447 -0.0516 -0.1092 8.8225 5.1062 8.0445 3.8731  
-1.1121 3.1401  -0.1105 1.0735  -0.5233 -0.6274 0.1699  -0.2007 0.4012  -0.1798 -0.0507 
'X-RAY DIFFRACTION' 6 ? refined -30.3482 1.7259  -19.7306 0.6468 0.7258 0.6685 0.1289 -0.1527 -0.2478 7.5560 2.6843 9.1552 1.2087  
-6.9880 1.4629  0.0406  0.1817  -0.6675 0.0516  -0.8168 1.4890  0.0867  -1.7621 0.6540  
'X-RAY DIFFRACTION' 7 ? refined -22.3358 -8.4294 -27.4117 0.6479 0.3448 0.5488 0.0999 -0.1020 -0.1072 5.1094 5.8855 4.1304 -3.9107 
-4.5338 3.9979  -0.8443 -0.0463 -0.6272 0.4840  0.2157  0.7661  1.3191  0.0974  0.7042  
'X-RAY DIFFRACTION' 8 ? refined -19.6664 11.1739 -17.5527 0.2275 0.3330 0.2041 0.0948 -0.0524 -0.0537 3.1870 1.8398 8.8144 0.2384  
-3.8675 -0.4493 0.0163  0.0292  0.0283  -0.1834 -0.1615 0.0197  -0.1099 -0.2048 0.0940  
# 
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 'A' and (resid 9 through 36 )
;
'X-RAY DIFFRACTION' 2 2 ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid 37 through 68 )
;
'X-RAY DIFFRACTION' 3 3 ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 7 through 21 )
;
'X-RAY DIFFRACTION' 4 4 ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 22 through 36 )
;
'X-RAY DIFFRACTION' 5 5 ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 37 through 56 )
;
'X-RAY DIFFRACTION' 6 6 ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 57 through 63 )
;
'X-RAY DIFFRACTION' 7 7 ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 64 through 69 )
;
'X-RAY DIFFRACTION' 8 8 ? ? ? ? ? ? ? ? ? 
;chain 'C' and (resid 0 through 12 )
;
# 
loop_
_software.name 
_software.classification 
_software.version 
_software.citation_id 
_software.pdbx_ordinal 
DNA    'data collection' .                             ? 1 
PHASER phasing           .                             ? 2 
PHENIX refinement        '(phenix.refine: 1.8.1_1168)' ? 3 
MOSFLM 'data reduction'  .                             ? 4 
SCALA  'data scaling'    .                             ? 5 
# 
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 "O4'" C DC 1  ? ? "C1'" C DC 1  ? ? N1 C DC 1  ? ? 110.11 108.30 1.81  0.30 N 
2 1 "O4'" C DC 7  ? ? "C1'" C DC 7  ? ? N1 C DC 7  ? ? 110.57 108.30 2.27  0.30 N 
3 1 "O4'" C DG 10 ? ? "C1'" C DG 10 ? ? N9 C DG 10 ? ? 102.67 108.00 -5.33 0.70 N 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    ARG 
_pdbx_validate_torsion.auth_asym_id    A 
_pdbx_validate_torsion.auth_seq_id     62 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             51.79 
_pdbx_validate_torsion.psi             80.64 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1  1 Y 1 A LYS 31 ? CD    ? A LYS 33 CD    
2  1 Y 1 A LYS 31 ? CE    ? A LYS 33 CE    
3  1 Y 1 A LYS 31 ? NZ    ? A LYS 33 NZ    
4  1 Y 1 A LYS 34 ? CG    ? A LYS 36 CG    
5  1 Y 1 A LYS 34 ? CD    ? A LYS 36 CD    
6  1 Y 1 A LYS 34 ? CE    ? A LYS 36 CE    
7  1 Y 1 A LYS 34 ? NZ    ? A LYS 36 NZ    
8  1 Y 1 A LYS 51 ? CE    ? A LYS 53 CE    
9  1 Y 1 A LYS 51 ? NZ    ? A LYS 53 NZ    
10 1 Y 1 A LYS 61 ? CE    ? A LYS 63 CE    
11 1 Y 1 A LYS 61 ? NZ    ? A LYS 63 NZ    
12 1 Y 1 B LYS 34 ? CE    ? B LYS 36 CE    
13 1 Y 1 B LYS 34 ? NZ    ? B LYS 36 NZ    
14 1 Y 1 B GLU 58 ? CG    ? B GLU 60 CG    
15 1 Y 1 B GLU 58 ? CD    ? B GLU 60 CD    
16 1 Y 1 B GLU 58 ? OE1   ? B GLU 60 OE1   
17 1 Y 1 B GLU 58 ? OE2   ? B GLU 60 OE2   
18 1 Y 1 B GLU 69 ? CD    ? B GLU 71 CD    
19 1 Y 1 B GLU 69 ? OE1   ? B GLU 71 OE1   
20 1 Y 1 B GLU 69 ? OE2   ? B GLU 71 OE2   
21 1 Y 1 C DT  0  ? "O5'" ? C DT  1  "O5'" 
22 1 Y 1 C DT  0  ? "C5'" ? C DT  1  "C5'" 
23 1 Y 1 C DT  0  ? "C4'" ? C DT  1  "C4'" 
24 1 Y 1 C DT  0  ? "O4'" ? C DT  1  "O4'" 
25 1 Y 1 C DT  0  ? "C3'" ? C DT  1  "C3'" 
26 1 Y 1 C DT  0  ? "C2'" ? C DT  1  "C2'" 
27 1 Y 1 C DT  0  ? "C1'" ? C DT  1  "C1'" 
28 1 Y 1 C DT  0  ? N1    ? C DT  1  N1    
29 1 Y 1 C DT  0  ? C2    ? C DT  1  C2    
30 1 Y 1 C DT  0  ? O2    ? C DT  1  O2    
31 1 Y 1 C DT  0  ? N3    ? C DT  1  N3    
32 1 Y 1 C DT  0  ? C4    ? C DT  1  C4    
33 1 Y 1 C DT  0  ? O4    ? C DT  1  O4    
34 1 Y 1 C DT  0  ? C5    ? C DT  1  C5    
35 1 Y 1 C DT  0  ? C7    ? C DT  1  C7    
36 1 Y 1 C DT  0  ? C6    ? C DT  1  C6    
# 
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 A GLY -1 ? A GLY 1  
2  1 Y 1 A SER 0  ? A SER 2  
3  1 Y 1 A HIS 1  ? A HIS 3  
4  1 Y 1 A MET 2  ? A MET 4  
5  1 Y 1 A ALA 3  ? A ALA 5  
6  1 Y 1 A SER 4  ? A SER 6  
7  1 Y 1 A SER 5  ? A SER 7  
8  1 Y 1 A ALA 6  ? A ALA 8  
9  1 Y 1 A GLU 7  ? A GLU 9  
10 1 Y 1 A ASN 8  ? A ASN 10 
11 1 Y 1 A GLU 58 ? A GLU 60 
12 1 Y 1 A ASP 59 ? A ASP 61 
13 1 Y 1 A ASN 60 ? A ASN 62 
14 1 Y 1 A GLU 69 ? A GLU 71 
15 1 Y 1 A SER 70 ? A SER 72 
16 1 Y 1 B GLY -1 ? B GLY 1  
17 1 Y 1 B SER 0  ? B SER 2  
18 1 Y 1 B HIS 1  ? B HIS 3  
19 1 Y 1 B MET 2  ? B MET 4  
20 1 Y 1 B ALA 3  ? B ALA 5  
21 1 Y 1 B SER 4  ? B SER 6  
22 1 Y 1 B SER 5  ? B SER 7  
23 1 Y 1 B ALA 6  ? B ALA 8  
24 1 Y 1 B SER 70 ? B SER 72 
# 
_ndb_struct_conf_na.entry_id   4LB5 
_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 C DC 2  1_555 C DG 13 10_554 -0.197 -0.218 -0.130 0.490  -5.599 0.493  1  C_DC1:DG12_C C 1  ? C 12 ? 19 1 
1 C DG 3  1_555 C DC 12 10_554 0.426  -0.243 0.233  2.424  3.768  2.065  2  C_DG2:DC11_C C 2  ? C 11 ? 19 1 
1 C DC 4  1_555 C DG 11 10_554 -0.451 -0.143 0.135  3.488  2.327  -1.229 3  C_DC3:DG10_C C 3  ? C 10 ? 19 1 
1 C DG 5  1_555 C DC 10 10_554 0.337  -0.111 0.016  -2.267 1.540  -1.118 4  C_DG4:DC9_C  C 4  ? C 9  ? 19 1 
1 C DC 6  1_555 C DG 9  10_554 -0.254 -0.046 0.071  -4.590 2.381  -0.988 5  C_DC5:DG8_C  C 5  ? C 8  ? 19 1 
1 C DG 7  1_555 C DC 8  10_554 0.444  -0.113 0.072  1.947  5.528  -0.995 6  C_DG6:DC7_C  C 6  ? C 7  ? 19 1 
1 C DC 8  1_555 C DG 7  10_554 -0.444 -0.113 0.072  -1.947 5.527  -0.995 7  C_DC7:DG6_C  C 7  ? C 6  ? 19 1 
1 C DG 9  1_555 C DC 6  10_554 0.254  -0.046 0.071  4.590  2.381  -0.988 8  C_DG8:DC5_C  C 8  ? C 5  ? 19 1 
1 C DC 10 1_555 C DG 5  10_554 -0.337 -0.111 0.016  2.267  1.540  -1.118 9  C_DC9:DG4_C  C 9  ? C 4  ? 19 1 
1 C DG 11 1_555 C DC 4  10_554 0.451  -0.143 0.135  -3.488 2.327  -1.229 10 C_DG10:DC3_C C 10 ? C 3  ? 19 1 
1 C DC 12 1_555 C DG 3  10_554 -0.426 -0.243 0.233  -2.424 3.768  2.065  11 C_DC11:DG2_C C 11 ? C 2  ? 19 1 
1 C DG 13 1_555 C DC 2  10_554 0.197  -0.218 -0.130 -0.490 -5.599 0.493  12 C_DG12:DC1_C C 12 ? C 1  ? 19 1 
# 
loop_
_ndb_struct_na_base_pair_step.model_number 
_ndb_struct_na_base_pair_step.i_label_asym_id_1 
_ndb_struct_na_base_pair_step.i_label_comp_id_1 
_ndb_struct_na_base_pair_step.i_label_seq_id_1 
_ndb_struct_na_base_pair_step.i_symmetry_1 
_ndb_struct_na_base_pair_step.j_label_asym_id_1 
_ndb_struct_na_base_pair_step.j_label_comp_id_1 
_ndb_struct_na_base_pair_step.j_label_seq_id_1 
_ndb_struct_na_base_pair_step.j_symmetry_1 
_ndb_struct_na_base_pair_step.i_label_asym_id_2 
_ndb_struct_na_base_pair_step.i_label_comp_id_2 
_ndb_struct_na_base_pair_step.i_label_seq_id_2 
_ndb_struct_na_base_pair_step.i_symmetry_2 
_ndb_struct_na_base_pair_step.j_label_asym_id_2 
_ndb_struct_na_base_pair_step.j_label_comp_id_2 
_ndb_struct_na_base_pair_step.j_label_seq_id_2 
_ndb_struct_na_base_pair_step.j_symmetry_2 
_ndb_struct_na_base_pair_step.shift 
_ndb_struct_na_base_pair_step.slide 
_ndb_struct_na_base_pair_step.rise 
_ndb_struct_na_base_pair_step.tilt 
_ndb_struct_na_base_pair_step.roll 
_ndb_struct_na_base_pair_step.twist 
_ndb_struct_na_base_pair_step.x_displacement 
_ndb_struct_na_base_pair_step.y_displacement 
_ndb_struct_na_base_pair_step.helical_rise 
_ndb_struct_na_base_pair_step.inclination 
_ndb_struct_na_base_pair_step.tip 
_ndb_struct_na_base_pair_step.helical_twist 
_ndb_struct_na_base_pair_step.step_number 
_ndb_struct_na_base_pair_step.step_name 
_ndb_struct_na_base_pair_step.i_auth_asym_id_1 
_ndb_struct_na_base_pair_step.i_auth_seq_id_1 
_ndb_struct_na_base_pair_step.i_PDB_ins_code_1 
_ndb_struct_na_base_pair_step.j_auth_asym_id_1 
_ndb_struct_na_base_pair_step.j_auth_seq_id_1 
_ndb_struct_na_base_pair_step.j_PDB_ins_code_1 
_ndb_struct_na_base_pair_step.i_auth_asym_id_2 
_ndb_struct_na_base_pair_step.i_auth_seq_id_2 
_ndb_struct_na_base_pair_step.i_PDB_ins_code_2 
_ndb_struct_na_base_pair_step.j_auth_asym_id_2 
_ndb_struct_na_base_pair_step.j_auth_seq_id_2 
_ndb_struct_na_base_pair_step.j_PDB_ins_code_2 
1 C DC 2  1_555 C DG 13 10_554 C DG 3  1_555 C DC 12 10_554 0.106  5.195  3.393 1.107  -3.016 -9.335  -22.751 3.348  4.782 17.851 
6.550  -9.871  1  CC_DC1DG2:DC11DG12_CC C 1  ? C 12 ? C 2  ? C 11 ? 
1 C DG 3  1_555 C DC 12 10_554 C DC 4  1_555 C DG 11 10_554 -0.290 -1.109 3.323 1.623  -5.619 -52.049 1.628   -0.221 3.202 6.381  
1.842  -52.354 2  CC_DG2DC3:DG10DC11_CC C 2  ? C 11 ? C 3  ? C 10 ? 
1 C DC 4  1_555 C DG 11 10_554 C DG 5  1_555 C DC 10 10_554 -0.057 5.505  3.593 0.092  0.586  -10.904 -29.894 -0.149 3.293 -3.082 
0.484  -10.921 3  CC_DC3DG4:DC9DG10_CC  C 3  ? C 10 ? C 4  ? C 9  ? 
1 C DG 5  1_555 C DC 10 10_554 C DC 6  1_555 C DG 9  10_554 0.240  -1.649 3.433 -0.246 -4.964 -49.229 2.348   0.268  3.264 5.942  
-0.295 -49.464 4  CC_DG4DC5:DG8DC9_CC   C 4  ? C 9  ? C 5  ? C 8  ? 
1 C DC 6  1_555 C DG 9  10_554 C DG 7  1_555 C DC 8  10_554 0.055  5.333  3.276 1.356  2.286  -13.263 -24.659 1.427  2.310 -9.771 
5.795  -13.526 5  CC_DC5DG6:DC7DG8_CC   C 5  ? C 8  ? C 6  ? C 7  ? 
1 C DG 7  1_555 C DC 8  10_554 C DC 8  1_555 C DG 7  10_554 0.000  -0.921 3.448 0.000  -5.290 -48.362 1.541   0.000  3.336 6.434  
0.000  -48.633 6  CC_DG6DC7:DG6DC7_CC   C 6  ? C 7  ? C 7  ? C 6  ? 
1 C DC 8  1_555 C DG 7  10_554 C DG 9  1_555 C DC 6  10_554 -0.055 5.333  3.276 -1.356 2.286  -13.263 -24.659 -1.427 2.310 -9.771 
-5.795 -13.526 7  CC_DC7DG8:DC5DG6_CC   C 7  ? C 6  ? C 8  ? C 5  ? 
1 C DG 9  1_555 C DC 6  10_554 C DC 10 1_555 C DG 5  10_554 -0.240 -1.649 3.433 0.246  -4.964 -49.229 2.348   -0.268 3.264 5.942  
0.295  -49.464 8  CC_DG8DC9:DG4DC5_CC   C 8  ? C 5  ? C 9  ? C 4  ? 
1 C DC 10 1_555 C DG 5  10_554 C DG 11 1_555 C DC 4  10_554 0.057  5.505  3.593 -0.092 0.586  -10.904 -29.894 0.149  3.293 -3.082 
-0.484 -10.921 9  CC_DC9DG10:DC3DG4_CC  C 9  ? C 4  ? C 10 ? C 3  ? 
1 C DG 11 1_555 C DC 4  10_554 C DC 12 1_555 C DG 3  10_554 0.290  -1.109 3.323 -1.623 -5.619 -52.049 1.628   0.221  3.202 6.381  
-1.842 -52.354 10 CC_DG10DC11:DG2DC3_CC C 10 ? C 3  ? C 11 ? C 2  ? 
1 C DC 12 1_555 C DG 3  10_554 C DG 13 1_555 C DC 2  10_554 -0.106 5.195  3.393 -1.107 -3.016 -9.335  -22.751 -3.348 4.782 17.851 
-6.551 -9.871  11 CC_DC11DG12:DC1DG2_CC C 11 ? C 2  ? C 12 ? C 1  ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
3 'ACETATE ION' ACT 
4 water         HOH 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
D 3 ACT 1  101 1   ACT ACT A . 
E 3 ACT 1  102 3   ACT ACT A . 
F 3 ACT 1  101 2   ACT ACT B . 
G 4 HOH 1  201 2   HOH HOH A . 
G 4 HOH 2  202 19  HOH HOH A . 
G 4 HOH 3  203 20  HOH HOH A . 
G 4 HOH 4  204 36  HOH HOH A . 
G 4 HOH 5  205 43  HOH HOH A . 
G 4 HOH 6  206 49  HOH HOH A . 
G 4 HOH 7  207 50  HOH HOH A . 
G 4 HOH 8  208 61  HOH HOH A . 
G 4 HOH 9  209 63  HOH HOH A . 
G 4 HOH 10 210 66  HOH HOH A . 
G 4 HOH 11 211 69  HOH HOH A . 
G 4 HOH 12 212 76  HOH HOH A . 
G 4 HOH 13 213 79  HOH HOH A . 
G 4 HOH 14 214 84  HOH HOH A . 
G 4 HOH 15 215 85  HOH HOH A . 
G 4 HOH 16 216 87  HOH HOH A . 
G 4 HOH 17 217 88  HOH HOH A . 
G 4 HOH 18 218 89  HOH HOH A . 
G 4 HOH 19 219 99  HOH HOH A . 
G 4 HOH 20 220 103 HOH HOH A . 
G 4 HOH 21 221 104 HOH HOH A . 
G 4 HOH 22 222 108 HOH HOH A . 
G 4 HOH 23 223 117 HOH HOH A . 
G 4 HOH 24 224 120 HOH HOH A . 
G 4 HOH 25 225 123 HOH HOH A . 
G 4 HOH 26 226 124 HOH HOH A . 
H 4 HOH 1  201 3   HOH HOH B . 
H 4 HOH 2  202 4   HOH HOH B . 
H 4 HOH 3  203 7   HOH HOH B . 
H 4 HOH 4  204 13  HOH HOH B . 
H 4 HOH 5  205 14  HOH HOH B . 
H 4 HOH 6  206 16  HOH HOH B . 
H 4 HOH 7  207 33  HOH HOH B . 
H 4 HOH 8  208 34  HOH HOH B . 
H 4 HOH 9  209 35  HOH HOH B . 
H 4 HOH 10 210 37  HOH HOH B . 
H 4 HOH 11 211 42  HOH HOH B . 
H 4 HOH 12 212 46  HOH HOH B . 
H 4 HOH 13 213 58  HOH HOH B . 
H 4 HOH 14 214 59  HOH HOH B . 
H 4 HOH 15 215 65  HOH HOH B . 
H 4 HOH 16 216 67  HOH HOH B . 
H 4 HOH 17 217 70  HOH HOH B . 
H 4 HOH 18 218 71  HOH HOH B . 
H 4 HOH 19 219 74  HOH HOH B . 
H 4 HOH 20 220 75  HOH HOH B . 
H 4 HOH 21 221 82  HOH HOH B . 
H 4 HOH 22 222 92  HOH HOH B . 
H 4 HOH 23 223 93  HOH HOH B . 
H 4 HOH 24 224 94  HOH HOH B . 
H 4 HOH 25 225 96  HOH HOH B . 
H 4 HOH 26 226 98  HOH HOH B . 
H 4 HOH 27 227 100 HOH HOH B . 
H 4 HOH 28 228 101 HOH HOH B . 
H 4 HOH 29 229 109 HOH HOH B . 
H 4 HOH 30 230 116 HOH HOH B . 
H 4 HOH 31 231 118 HOH HOH B . 
H 4 HOH 32 232 121 HOH HOH B . 
I 4 HOH 1  101 1   HOH HOH C . 
I 4 HOH 2  102 5   HOH HOH C . 
I 4 HOH 3  103 6   HOH HOH C . 
I 4 HOH 4  104 8   HOH HOH C . 
I 4 HOH 5  105 9   HOH HOH C . 
I 4 HOH 6  106 10  HOH HOH C . 
I 4 HOH 7  107 11  HOH HOH C . 
I 4 HOH 8  108 12  HOH HOH C . 
I 4 HOH 9  109 15  HOH HOH C . 
I 4 HOH 10 110 17  HOH HOH C . 
I 4 HOH 11 111 18  HOH HOH C . 
I 4 HOH 12 112 21  HOH HOH C . 
I 4 HOH 13 113 22  HOH HOH C . 
I 4 HOH 14 114 23  HOH HOH C . 
I 4 HOH 15 115 25  HOH HOH C . 
I 4 HOH 16 116 26  HOH HOH C . 
I 4 HOH 17 117 27  HOH HOH C . 
I 4 HOH 18 118 28  HOH HOH C . 
I 4 HOH 19 119 29  HOH HOH C . 
I 4 HOH 20 120 30  HOH HOH C . 
I 4 HOH 21 121 31  HOH HOH C . 
I 4 HOH 22 122 32  HOH HOH C . 
I 4 HOH 23 123 38  HOH HOH C . 
I 4 HOH 24 124 39  HOH HOH C . 
I 4 HOH 25 125 40  HOH HOH C . 
I 4 HOH 26 126 41  HOH HOH C . 
I 4 HOH 27 127 47  HOH HOH C . 
I 4 HOH 28 128 48  HOH HOH C . 
I 4 HOH 29 129 51  HOH HOH C . 
I 4 HOH 30 130 52  HOH HOH C . 
I 4 HOH 31 131 53  HOH HOH C . 
I 4 HOH 32 132 54  HOH HOH C . 
I 4 HOH 33 133 57  HOH HOH C . 
I 4 HOH 34 134 60  HOH HOH C . 
I 4 HOH 35 135 62  HOH HOH C . 
I 4 HOH 36 136 64  HOH HOH C . 
I 4 HOH 37 137 68  HOH HOH C . 
I 4 HOH 38 138 72  HOH HOH C . 
I 4 HOH 39 139 77  HOH HOH C . 
I 4 HOH 40 140 78  HOH HOH C . 
I 4 HOH 41 141 80  HOH HOH C . 
I 4 HOH 42 142 81  HOH HOH C . 
I 4 HOH 43 143 83  HOH HOH C . 
I 4 HOH 44 144 86  HOH HOH C . 
I 4 HOH 45 145 95  HOH HOH C . 
I 4 HOH 46 146 102 HOH HOH C . 
I 4 HOH 47 147 105 HOH HOH C . 
I 4 HOH 48 148 106 HOH HOH C . 
I 4 HOH 49 149 112 HOH HOH C . 
I 4 HOH 50 150 125 HOH HOH C . 
I 4 HOH 51 151 126 HOH HOH C . 
I 4 HOH 52 152 127 HOH HOH C . 
# 
