data_1UBQ # _entry.id 1UBQ # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 1UBQ WWPDB D_1000176905 # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 1UBQ _pdbx_database_status.recvd_initial_deposition_date 1987-01-02 _pdbx_database_status.deposit_site ? _pdbx_database_status.process_site ? _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.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Vijay-Kumar, S.' 1 'Bugg, C.E.' 2 'Cook, W.J.' 3 # loop_ _citation.id _citation.title _citation.journal_abbrev _citation.journal_volume _citation.page_first _citation.page_last _citation.year _citation.journal_id_ASTM _citation.country _citation.journal_id_ISSN _citation.journal_id_CSD _citation.book_publisher _citation.pdbx_database_id_PubMed _citation.pdbx_database_id_DOI primary 'Structure of ubiquitin refined at 1.8 A resolution.' J.Mol.Biol. 194 531 544 1987 JMOBAK UK 0022-2836 0070 ? 3041007 '10.1016/0022-2836(87)90679-6' 1 'Comparison of the Three-Dimensional Structures of Human, Yeast, and Oat Ubiquitin' J.Biol.Chem. 262 6396 ? 1987 JBCHA3 US 0021-9258 0071 ? ? ? 2 'Three-Dimensional Structure of Ubiquitin at 2.8 Angstroms Resolution' Proc.Natl.Acad.Sci.USA 82 3582 ? 1985 PNASA6 US 0027-8424 0040 ? ? ? 3 'Crystallization and Preliminary X-Ray Investigation of Ubiquitin, a Non-Histone Chromosomal Protein' J.Mol.Biol. 130 353 ? 1979 JMOBAK UK 0022-2836 0070 ? ? ? 4 'Molecular Conservation of 74 Amino Acid Sequence of Ubiquitin between Cattle and Man' Nature 255 423 ? 1975 NATUAS UK 0028-0836 0006 ? ? ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Vijay-Kumar, S.' 1 primary 'Bugg, C.E.' 2 primary 'Cook, W.J.' 3 1 'Vijay-Kumar, S.' 4 1 'Bugg, C.E.' 5 1 'Wilkinson, K.D.' 6 1 'Vierstra, R.D.' 7 1 'Hatfield, P.M.' 8 1 'Cook, W.J.' 9 2 'Vijay-Kumar, S.' 10 2 'Bugg, C.E.' 11 2 'Wilkinson, K.D.' 12 2 'Cook, W.J.' 13 3 'Cook, W.J.' 14 3 'Suddath, F.L.' 15 3 'Bugg, C.E.' 16 3 'Goldstein, G.' 17 4 'Schlesinger, D.H.' 18 4 'Goldstein, G.' 19 # _cell.entry_id 1UBQ _cell.length_a 50.840 _cell.length_b 42.770 _cell.length_c 28.950 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 4 _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 1UBQ _symmetry.space_group_name_H-M 'P 21 21 21' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 19 _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man UBIQUITIN 8576.831 1 ? ? ? ? 2 water nat water 18.015 58 ? ? ? ? # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code MQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG _entity_poly.pdbx_seq_one_letter_code_can MQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 MET n 1 2 GLN n 1 3 ILE n 1 4 PHE n 1 5 VAL n 1 6 LYS n 1 7 THR n 1 8 LEU n 1 9 THR n 1 10 GLY n 1 11 LYS n 1 12 THR n 1 13 ILE n 1 14 THR n 1 15 LEU n 1 16 GLU n 1 17 VAL n 1 18 GLU n 1 19 PRO n 1 20 SER n 1 21 ASP n 1 22 THR n 1 23 ILE n 1 24 GLU n 1 25 ASN n 1 26 VAL n 1 27 LYS n 1 28 ALA n 1 29 LYS n 1 30 ILE n 1 31 GLN n 1 32 ASP n 1 33 LYS n 1 34 GLU n 1 35 GLY n 1 36 ILE n 1 37 PRO n 1 38 PRO n 1 39 ASP n 1 40 GLN n 1 41 GLN n 1 42 ARG n 1 43 LEU n 1 44 ILE n 1 45 PHE n 1 46 ALA n 1 47 GLY n 1 48 LYS n 1 49 GLN n 1 50 LEU n 1 51 GLU n 1 52 ASP n 1 53 GLY n 1 54 ARG n 1 55 THR n 1 56 LEU n 1 57 SER n 1 58 ASP n 1 59 TYR n 1 60 ASN n 1 61 ILE n 1 62 GLN n 1 63 LYS n 1 64 GLU n 1 65 SER n 1 66 THR n 1 67 LEU n 1 68 HIS n 1 69 LEU n 1 70 VAL n 1 71 LEU n 1 72 ARG n 1 73 LEU n 1 74 ARG n 1 75 GLY n 1 76 GLY 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 human _entity_src_gen.gene_src_genus Homo _entity_src_gen.pdbx_gene_src_gene ? _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 'Homo sapiens' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 _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 ? _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id ? _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 ? _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 ? _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code UBIQ_HUMAN _struct_ref.entity_id 1 _struct_ref.pdbx_db_accession P62988 _struct_ref.pdbx_align_begin 1 _struct_ref.pdbx_seq_one_letter_code MQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 1UBQ _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 1 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 76 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession P62988 _struct_ref_seq.db_align_beg 1 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 76 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 1 _struct_ref_seq.pdbx_auth_seq_align_end 76 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 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 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 1UBQ _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number ? # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 1.83 _exptl_crystal.density_percent_sol 32.94 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _diffrn.id 1 _diffrn.ambient_temp ? _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.monochromator ? _diffrn_radiation.pdbx_monochromatic_or_laue_m_l ? _diffrn_radiation.pdbx_diffrn_protocol ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength . _diffrn_radiation_wavelength.wt 1.0 # _refine.entry_id 1UBQ _refine.ls_number_reflns_obs ? _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low ? _refine.ls_d_res_high 1.8 _refine.ls_percent_reflns_obs ? _refine.ls_R_factor_obs 0.1760000 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work ? _refine.ls_R_factor_R_free ? _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free ? _refine.ls_number_reflns_R_free ? _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _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 ? _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_ls_cross_valid_method ? _refine.details ? _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML ? _refine.overall_SU_B ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_redundancy_reflns_obs ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_phase_error ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.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_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 602 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 0 _refine_hist.number_atoms_solvent 58 _refine_hist.number_atoms_total 660 _refine_hist.d_res_high 1.8 _refine_hist.d_res_low . # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function p_bond_d 0.016 ? ? ? 'X-RAY DIFFRACTION' ? p_angle_deg 1.5 ? ? ? 'X-RAY DIFFRACTION' ? # _struct.entry_id 1UBQ _struct.title 'STRUCTURE OF UBIQUITIN REFINED AT 1.8 ANGSTROMS RESOLUTION' _struct.pdbx_descriptor UBIQUITIN _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 1UBQ _struct_keywords.pdbx_keywords 'CHROMOSOMAL PROTEIN' _struct_keywords.text 'CHROMOSOMAL PROTEIN' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? # _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 H1 ILE A 23 ? GLU A 34 ? ILE A 23 GLU A 34 1 ? 12 HELX_P HELX_P2 H2 LEU A 56 ? TYR A 59 ? LEU A 56 TYR A 59 5 ? 4 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # _struct_sheet.id BET _struct_sheet.type ? _struct_sheet.number_strands 5 _struct_sheet.details ? # 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 BET 1 2 ? anti-parallel BET 2 3 ? parallel BET 3 4 ? anti-parallel BET 4 5 ? 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 BET 1 GLY A 10 ? VAL A 17 ? GLY A 10 VAL A 17 BET 2 MET A 1 ? THR A 7 ? MET A 1 THR A 7 BET 3 GLU A 64 ? ARG A 72 ? GLU A 64 ARG A 72 BET 4 GLN A 40 ? PHE A 45 ? GLN A 40 PHE A 45 BET 5 LYS A 48 ? LEU A 50 ? LYS A 48 LEU A 50 # _database_PDB_matrix.entry_id 1UBQ _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 1UBQ _atom_sites.fract_transf_matrix[1][1] .019670 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] .023381 _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] .034542 _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 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 . MET A 1 1 ? 27.340 24.430 2.614 1.00 9.67 ? 1 MET A N 1 ATOM 2 C CA . MET A 1 1 ? 26.266 25.413 2.842 1.00 10.38 ? 1 MET A CA 1 ATOM 3 C C . MET A 1 1 ? 26.913 26.639 3.531 1.00 9.62 ? 1 MET A C 1 ATOM 4 O O . MET A 1 1 ? 27.886 26.463 4.263 1.00 9.62 ? 1 MET A O 1 ATOM 5 C CB . MET A 1 1 ? 25.112 24.880 3.649 1.00 13.77 ? 1 MET A CB 1 ATOM 6 C CG . MET A 1 1 ? 25.353 24.860 5.134 1.00 16.29 ? 1 MET A CG 1 ATOM 7 S SD . MET A 1 1 ? 23.930 23.959 5.904 1.00 17.17 ? 1 MET A SD 1 ATOM 8 C CE . MET A 1 1 ? 24.447 23.984 7.620 1.00 16.11 ? 1 MET A CE 1 ATOM 9 N N . GLN A 1 2 ? 26.335 27.770 3.258 1.00 9.27 ? 2 GLN A N 1 ATOM 10 C CA . GLN A 1 2 ? 26.850 29.021 3.898 1.00 9.07 ? 2 GLN A CA 1 ATOM 11 C C . GLN A 1 2 ? 26.100 29.253 5.202 1.00 8.72 ? 2 GLN A C 1 ATOM 12 O O . GLN A 1 2 ? 24.865 29.024 5.330 1.00 8.22 ? 2 GLN A O 1 ATOM 13 C CB . GLN A 1 2 ? 26.733 30.148 2.905 1.00 14.46 ? 2 GLN A CB 1 ATOM 14 C CG . GLN A 1 2 ? 26.882 31.546 3.409 1.00 17.01 ? 2 GLN A CG 1 ATOM 15 C CD . GLN A 1 2 ? 26.786 32.562 2.270 1.00 20.10 ? 2 GLN A CD 1 ATOM 16 O OE1 . GLN A 1 2 ? 27.783 33.160 1.870 1.00 21.89 ? 2 GLN A OE1 1 ATOM 17 N NE2 . GLN A 1 2 ? 25.562 32.733 1.806 1.00 19.49 ? 2 GLN A NE2 1 ATOM 18 N N . ILE A 1 3 ? 26.849 29.656 6.217 1.00 5.87 ? 3 ILE A N 1 ATOM 19 C CA . ILE A 1 3 ? 26.235 30.058 7.497 1.00 5.07 ? 3 ILE A CA 1 ATOM 20 C C . ILE A 1 3 ? 26.882 31.428 7.862 1.00 4.01 ? 3 ILE A C 1 ATOM 21 O O . ILE A 1 3 ? 27.906 31.711 7.264 1.00 4.61 ? 3 ILE A O 1 ATOM 22 C CB . ILE A 1 3 ? 26.344 29.050 8.645 1.00 6.55 ? 3 ILE A CB 1 ATOM 23 C CG1 . ILE A 1 3 ? 27.810 28.748 8.999 1.00 4.72 ? 3 ILE A CG1 1 ATOM 24 C CG2 . ILE A 1 3 ? 25.491 27.771 8.287 1.00 5.58 ? 3 ILE A CG2 1 ATOM 25 C CD1 . ILE A 1 3 ? 27.967 28.087 10.417 1.00 10.83 ? 3 ILE A CD1 1 ATOM 26 N N . PHE A 1 4 ? 26.214 32.097 8.771 1.00 4.55 ? 4 PHE A N 1 ATOM 27 C CA . PHE A 1 4 ? 26.772 33.436 9.197 1.00 4.68 ? 4 PHE A CA 1 ATOM 28 C C . PHE A 1 4 ? 27.151 33.362 10.650 1.00 5.30 ? 4 PHE A C 1 ATOM 29 O O . PHE A 1 4 ? 26.350 32.778 11.395 1.00 5.58 ? 4 PHE A O 1 ATOM 30 C CB . PHE A 1 4 ? 25.695 34.498 8.946 1.00 4.83 ? 4 PHE A CB 1 ATOM 31 C CG . PHE A 1 4 ? 25.288 34.609 7.499 1.00 7.97 ? 4 PHE A CG 1 ATOM 32 C CD1 . PHE A 1 4 ? 24.147 33.966 7.038 1.00 6.69 ? 4 PHE A CD1 1 ATOM 33 C CD2 . PHE A 1 4 ? 26.136 35.346 6.640 1.00 8.34 ? 4 PHE A CD2 1 ATOM 34 C CE1 . PHE A 1 4 ? 23.812 34.031 5.677 1.00 9.10 ? 4 PHE A CE1 1 ATOM 35 C CE2 . PHE A 1 4 ? 25.810 35.392 5.267 1.00 10.61 ? 4 PHE A CE2 1 ATOM 36 C CZ . PHE A 1 4 ? 24.620 34.778 4.853 1.00 8.90 ? 4 PHE A CZ 1 ATOM 37 N N . VAL A 1 5 ? 28.260 33.943 11.096 1.00 4.44 ? 5 VAL A N 1 ATOM 38 C CA . VAL A 1 5 ? 28.605 33.965 12.503 1.00 3.87 ? 5 VAL A CA 1 ATOM 39 C C . VAL A 1 5 ? 28.638 35.461 12.900 1.00 4.93 ? 5 VAL A C 1 ATOM 40 O O . VAL A 1 5 ? 29.522 36.103 12.320 1.00 6.84 ? 5 VAL A O 1 ATOM 41 C CB . VAL A 1 5 ? 29.963 33.317 12.814 1.00 2.99 ? 5 VAL A CB 1 ATOM 42 C CG1 . VAL A 1 5 ? 30.211 33.394 14.304 1.00 5.28 ? 5 VAL A CG1 1 ATOM 43 C CG2 . VAL A 1 5 ? 29.957 31.838 12.352 1.00 9.13 ? 5 VAL A CG2 1 ATOM 44 N N . LYS A 1 6 ? 27.751 35.867 13.740 1.00 6.04 ? 6 LYS A N 1 ATOM 45 C CA . LYS A 1 6 ? 27.691 37.315 14.143 1.00 6.12 ? 6 LYS A CA 1 ATOM 46 C C . LYS A 1 6 ? 28.469 37.475 15.420 1.00 6.57 ? 6 LYS A C 1 ATOM 47 O O . LYS A 1 6 ? 28.213 36.753 16.411 1.00 5.76 ? 6 LYS A O 1 ATOM 48 C CB . LYS A 1 6 ? 26.219 37.684 14.307 1.00 7.45 ? 6 LYS A CB 1 ATOM 49 C CG . LYS A 1 6 ? 25.884 39.139 14.615 1.00 11.12 ? 6 LYS A CG 1 ATOM 50 C CD . LYS A 1 6 ? 24.348 39.296 14.642 1.00 14.54 ? 6 LYS A CD 1 ATOM 51 C CE . LYS A 1 6 ? 23.865 40.723 14.749 1.00 18.84 ? 6 LYS A CE 1 ATOM 52 N NZ . LYS A 1 6 ? 22.375 40.720 14.907 1.00 20.55 ? 6 LYS A NZ 1 ATOM 53 N N . THR A 1 7 ? 29.426 38.430 15.446 1.00 7.41 ? 7 THR A N 1 ATOM 54 C CA . THR A 1 7 ? 30.225 38.643 16.662 1.00 7.48 ? 7 THR A CA 1 ATOM 55 C C . THR A 1 7 ? 29.664 39.839 17.434 1.00 8.75 ? 7 THR A C 1 ATOM 56 O O . THR A 1 7 ? 28.850 40.565 16.859 1.00 8.58 ? 7 THR A O 1 ATOM 57 C CB . THR A 1 7 ? 31.744 38.879 16.299 1.00 9.61 ? 7 THR A CB 1 ATOM 58 O OG1 . THR A 1 7 ? 31.737 40.257 15.824 1.00 11.78 ? 7 THR A OG1 1 ATOM 59 C CG2 . THR A 1 7 ? 32.260 37.969 15.171 1.00 9.17 ? 7 THR A CG2 1 ATOM 60 N N . LEU A 1 8 ? 30.132 40.069 18.642 1.00 9.84 ? 8 LEU A N 1 ATOM 61 C CA . LEU A 1 8 ? 29.607 41.180 19.467 1.00 14.15 ? 8 LEU A CA 1 ATOM 62 C C . LEU A 1 8 ? 30.075 42.538 18.984 1.00 17.37 ? 8 LEU A C 1 ATOM 63 O O . LEU A 1 8 ? 29.586 43.570 19.483 1.00 17.01 ? 8 LEU A O 1 ATOM 64 C CB . LEU A 1 8 ? 29.919 40.890 20.938 1.00 16.63 ? 8 LEU A CB 1 ATOM 65 C CG . LEU A 1 8 ? 29.183 39.722 21.581 1.00 18.88 ? 8 LEU A CG 1 ATOM 66 C CD1 . LEU A 1 8 ? 29.308 39.750 23.095 1.00 19.31 ? 8 LEU A CD1 1 ATOM 67 C CD2 . LEU A 1 8 ? 27.700 39.721 21.228 1.00 18.59 ? 8 LEU A CD2 1 ATOM 68 N N . THR A 1 9 ? 30.991 42.571 17.998 1.00 18.33 ? 9 THR A N 1 ATOM 69 C CA . THR A 1 9 ? 31.422 43.940 17.553 1.00 19.24 ? 9 THR A CA 1 ATOM 70 C C . THR A 1 9 ? 30.755 44.351 16.277 1.00 19.48 ? 9 THR A C 1 ATOM 71 O O . THR A 1 9 ? 31.207 45.268 15.566 1.00 23.14 ? 9 THR A O 1 ATOM 72 C CB . THR A 1 9 ? 32.979 43.918 17.445 1.00 18.97 ? 9 THR A CB 1 ATOM 73 O OG1 . THR A 1 9 ? 33.174 43.067 16.265 1.00 20.24 ? 9 THR A OG1 1 ATOM 74 C CG2 . THR A 1 9 ? 33.657 43.319 18.672 1.00 19.70 ? 9 THR A CG2 1 ATOM 75 N N . GLY A 1 10 ? 29.721 43.673 15.885 1.00 19.43 ? 10 GLY A N 1 ATOM 76 C CA . GLY A 1 10 ? 28.978 43.960 14.678 1.00 18.74 ? 10 GLY A CA 1 ATOM 77 C C . GLY A 1 10 ? 29.604 43.507 13.393 1.00 17.62 ? 10 GLY A C 1 ATOM 78 O O . GLY A 1 10 ? 29.219 43.981 12.301 1.00 19.74 ? 10 GLY A O 1 ATOM 79 N N . LYS A 1 11 ? 30.563 42.623 13.495 1.00 13.56 ? 11 LYS A N 1 ATOM 80 C CA . LYS A 1 11 ? 31.191 42.012 12.331 1.00 11.91 ? 11 LYS A CA 1 ATOM 81 C C . LYS A 1 11 ? 30.459 40.666 12.130 1.00 10.18 ? 11 LYS A C 1 ATOM 82 O O . LYS A 1 11 ? 30.253 39.991 13.133 1.00 9.10 ? 11 LYS A O 1 ATOM 83 C CB . LYS A 1 11 ? 32.672 41.717 12.505 1.00 13.43 ? 11 LYS A CB 1 ATOM 84 C CG . LYS A 1 11 ? 33.280 41.086 11.227 1.00 16.69 ? 11 LYS A CG 1 ATOM 85 C CD . LYS A 1 11 ? 34.762 40.799 11.470 1.00 17.92 ? 11 LYS A CD 1 ATOM 86 C CE . LYS A 1 11 ? 35.614 40.847 10.240 1.00 20.81 ? 11 LYS A CE 1 ATOM 87 N NZ . LYS A 1 11 ? 35.100 40.073 9.101 1.00 21.93 ? 11 LYS A NZ 1 ATOM 88 N N . THR A 1 12 ? 30.163 40.338 10.886 1.00 9.63 ? 12 THR A N 1 ATOM 89 C CA . THR A 1 12 ? 29.542 39.020 10.653 1.00 9.85 ? 12 THR A CA 1 ATOM 90 C C . THR A 1 12 ? 30.494 38.261 9.729 1.00 11.66 ? 12 THR A C 1 ATOM 91 O O . THR A 1 12 ? 30.849 38.850 8.706 1.00 12.33 ? 12 THR A O 1 ATOM 92 C CB . THR A 1 12 ? 28.113 39.049 10.015 1.00 10.85 ? 12 THR A CB 1 ATOM 93 O OG1 . THR A 1 12 ? 27.280 39.722 10.996 1.00 10.91 ? 12 THR A OG1 1 ATOM 94 C CG2 . THR A 1 12 ? 27.588 37.635 9.715 1.00 9.63 ? 12 THR A CG2 1 ATOM 95 N N . ILE A 1 13 ? 30.795 37.015 10.095 1.00 10.42 ? 13 ILE A N 1 ATOM 96 C CA . ILE A 1 13 ? 31.720 36.289 9.176 1.00 11.84 ? 13 ILE A CA 1 ATOM 97 C C . ILE A 1 13 ? 30.955 35.211 8.459 1.00 10.55 ? 13 ILE A C 1 ATOM 98 O O . ILE A 1 13 ? 30.025 34.618 9.040 1.00 11.92 ? 13 ILE A O 1 ATOM 99 C CB . ILE A 1 13 ? 32.995 35.883 9.934 1.00 14.86 ? 13 ILE A CB 1 ATOM 100 C CG1 . ILE A 1 13 ? 33.306 34.381 9.840 1.00 14.87 ? 13 ILE A CG1 1 ATOM 101 C CG2 . ILE A 1 13 ? 33.109 36.381 11.435 1.00 17.08 ? 13 ILE A CG2 1 ATOM 102 C CD1 . ILE A 1 13 ? 34.535 34.028 10.720 1.00 16.46 ? 13 ILE A CD1 1 ATOM 103 N N . THR A 1 14 ? 31.244 34.986 7.197 1.00 9.39 ? 14 THR A N 1 ATOM 104 C CA . THR A 1 14 ? 30.505 33.884 6.512 1.00 9.63 ? 14 THR A CA 1 ATOM 105 C C . THR A 1 14 ? 31.409 32.680 6.446 1.00 11.20 ? 14 THR A C 1 ATOM 106 O O . THR A 1 14 ? 32.619 32.812 6.125 1.00 11.63 ? 14 THR A O 1 ATOM 107 C CB . THR A 1 14 ? 30.091 34.393 5.078 1.00 10.38 ? 14 THR A CB 1 ATOM 108 O OG1 . THR A 1 14 ? 31.440 34.513 4.487 1.00 16.30 ? 14 THR A OG1 1 ATOM 109 C CG2 . THR A 1 14 ? 29.420 35.756 5.119 1.00 11.66 ? 14 THR A CG2 1 ATOM 110 N N . LEU A 1 15 ? 30.884 31.485 6.666 1.00 8.29 ? 15 LEU A N 1 ATOM 111 C CA . LEU A 1 15 ? 31.677 30.275 6.639 1.00 9.03 ? 15 LEU A CA 1 ATOM 112 C C . LEU A 1 15 ? 31.022 29.288 5.665 1.00 8.59 ? 15 LEU A C 1 ATOM 113 O O . LEU A 1 15 ? 29.809 29.395 5.545 1.00 7.79 ? 15 LEU A O 1 ATOM 114 C CB . LEU A 1 15 ? 31.562 29.686 8.045 1.00 11.08 ? 15 LEU A CB 1 ATOM 115 C CG . LEU A 1 15 ? 32.631 29.444 9.060 1.00 15.79 ? 15 LEU A CG 1 ATOM 116 C CD1 . LEU A 1 15 ? 33.814 30.390 9.030 1.00 15.88 ? 15 LEU A CD1 1 ATOM 117 C CD2 . LEU A 1 15 ? 31.945 29.449 10.436 1.00 15.27 ? 15 LEU A CD2 1 ATOM 118 N N . GLU A 1 16 ? 31.834 28.412 5.125 1.00 11.04 ? 16 GLU A N 1 ATOM 119 C CA . GLU A 1 16 ? 31.220 27.341 4.275 1.00 11.50 ? 16 GLU A CA 1 ATOM 120 C C . GLU A 1 16 ? 31.440 26.079 5.080 1.00 10.13 ? 16 GLU A C 1 ATOM 121 O O . GLU A 1 16 ? 32.576 25.802 5.461 1.00 9.83 ? 16 GLU A O 1 ATOM 122 C CB . GLU A 1 16 ? 31.827 27.262 2.894 1.00 17.22 ? 16 GLU A CB 1 ATOM 123 C CG . GLU A 1 16 ? 31.363 28.410 1.962 1.00 23.33 ? 16 GLU A CG 1 ATOM 124 C CD . GLU A 1 16 ? 31.671 28.291 0.498 1.00 26.99 ? 16 GLU A CD 1 ATOM 125 O OE1 . GLU A 1 16 ? 30.869 28.621 -0.366 1.00 28.86 ? 16 GLU A OE1 1 ATOM 126 O OE2 . GLU A 1 16 ? 32.835 27.861 0.278 1.00 28.90 ? 16 GLU A OE2 1 ATOM 127 N N . VAL A 1 17 ? 30.310 25.458 5.384 1.00 8.99 ? 17 VAL A N 1 ATOM 128 C CA . VAL A 1 17 ? 30.288 24.245 6.193 1.00 8.85 ? 17 VAL A CA 1 ATOM 129 C C . VAL A 1 17 ? 29.279 23.227 5.641 1.00 8.04 ? 17 VAL A C 1 ATOM 130 O O . VAL A 1 17 ? 28.478 23.522 4.725 1.00 8.99 ? 17 VAL A O 1 ATOM 131 C CB . VAL A 1 17 ? 29.903 24.590 7.665 1.00 9.78 ? 17 VAL A CB 1 ATOM 132 C CG1 . VAL A 1 17 ? 30.862 25.496 8.389 1.00 12.05 ? 17 VAL A CG1 1 ATOM 133 C CG2 . VAL A 1 17 ? 28.476 25.135 7.705 1.00 10.54 ? 17 VAL A CG2 1 ATOM 134 N N . GLU A 1 18 ? 29.380 22.057 6.232 1.00 7.29 ? 18 GLU A N 1 ATOM 135 C CA . GLU A 1 18 ? 28.468 20.940 5.980 1.00 7.08 ? 18 GLU A CA 1 ATOM 136 C C . GLU A 1 18 ? 27.819 20.609 7.316 1.00 6.45 ? 18 GLU A C 1 ATOM 137 O O . GLU A 1 18 ? 28.449 20.674 8.360 1.00 5.28 ? 18 GLU A O 1 ATOM 138 C CB . GLU A 1 18 ? 29.213 19.697 5.506 1.00 10.28 ? 18 GLU A CB 1 ATOM 139 C CG . GLU A 1 18 ? 29.728 19.755 4.060 1.00 12.65 ? 18 GLU A CG 1 ATOM 140 C CD . GLU A 1 18 ? 28.754 20.061 2.978 1.00 14.15 ? 18 GLU A CD 1 ATOM 141 O OE1 . GLU A 1 18 ? 27.546 19.992 2.985 1.00 14.33 ? 18 GLU A OE1 1 ATOM 142 O OE2 . GLU A 1 18 ? 29.336 20.423 1.904 1.00 18.17 ? 18 GLU A OE2 1 ATOM 143 N N . PRO A 1 19 ? 26.559 20.220 7.288 1.00 7.24 ? 19 PRO A N 1 ATOM 144 C CA . PRO A 1 19 ? 25.829 19.825 8.494 1.00 7.07 ? 19 PRO A CA 1 ATOM 145 C C . PRO A 1 19 ? 26.541 18.732 9.251 1.00 6.65 ? 19 PRO A C 1 ATOM 146 O O . PRO A 1 19 ? 26.333 18.536 10.457 1.00 6.37 ? 19 PRO A O 1 ATOM 147 C CB . PRO A 1 19 ? 24.469 19.332 7.952 1.00 7.61 ? 19 PRO A CB 1 ATOM 148 C CG . PRO A 1 19 ? 24.299 20.134 6.704 1.00 8.16 ? 19 PRO A CG 1 ATOM 149 C CD . PRO A 1 19 ? 25.714 20.108 6.073 1.00 7.49 ? 19 PRO A CD 1 ATOM 150 N N . SER A 1 20 ? 27.361 17.959 8.559 1.00 6.80 ? 20 SER A N 1 ATOM 151 C CA . SER A 1 20 ? 28.054 16.835 9.210 1.00 6.28 ? 20 SER A CA 1 ATOM 152 C C . SER A 1 20 ? 29.258 17.318 9.984 1.00 8.45 ? 20 SER A C 1 ATOM 153 O O . SER A 1 20 ? 29.930 16.477 10.606 1.00 7.26 ? 20 SER A O 1 ATOM 154 C CB . SER A 1 20 ? 28.523 15.820 8.182 1.00 8.57 ? 20 SER A CB 1 ATOM 155 O OG . SER A 1 20 ? 28.946 16.445 6.967 1.00 11.13 ? 20 SER A OG 1 ATOM 156 N N . ASP A 1 21 ? 29.599 18.599 9.828 1.00 7.50 ? 21 ASP A N 1 ATOM 157 C CA . ASP A 1 21 ? 30.796 19.083 10.566 1.00 7.70 ? 21 ASP A CA 1 ATOM 158 C C . ASP A 1 21 ? 30.491 19.162 12.040 1.00 7.08 ? 21 ASP A C 1 ATOM 159 O O . ASP A 1 21 ? 29.367 19.523 12.441 1.00 8.11 ? 21 ASP A O 1 ATOM 160 C CB . ASP A 1 21 ? 31.155 20.515 10.048 1.00 11.00 ? 21 ASP A CB 1 ATOM 161 C CG . ASP A 1 21 ? 31.923 20.436 8.755 1.00 15.32 ? 21 ASP A CG 1 ATOM 162 O OD1 . ASP A 1 21 ? 32.493 19.374 8.456 1.00 18.03 ? 21 ASP A OD1 1 ATOM 163 O OD2 . ASP A 1 21 ? 31.838 21.402 7.968 1.00 14.36 ? 21 ASP A OD2 1 ATOM 164 N N . THR A 1 22 ? 31.510 18.936 12.852 1.00 5.37 ? 22 THR A N 1 ATOM 165 C CA . THR A 1 22 ? 31.398 19.064 14.286 1.00 6.01 ? 22 THR A CA 1 ATOM 166 C C . THR A 1 22 ? 31.593 20.553 14.655 1.00 8.01 ? 22 THR A C 1 ATOM 167 O O . THR A 1 22 ? 32.159 21.311 13.861 1.00 8.11 ? 22 THR A O 1 ATOM 168 C CB . THR A 1 22 ? 32.492 18.193 14.995 1.00 8.92 ? 22 THR A CB 1 ATOM 169 O OG1 . THR A 1 22 ? 33.778 18.739 14.516 1.00 10.22 ? 22 THR A OG1 1 ATOM 170 C CG2 . THR A 1 22 ? 32.352 16.700 14.630 1.00 9.65 ? 22 THR A CG2 1 ATOM 171 N N . ILE A 1 23 ? 31.113 20.863 15.860 1.00 8.32 ? 23 ILE A N 1 ATOM 172 C CA . ILE A 1 23 ? 31.288 22.201 16.417 1.00 9.92 ? 23 ILE A CA 1 ATOM 173 C C . ILE A 1 23 ? 32.776 22.519 16.577 1.00 10.01 ? 23 ILE A C 1 ATOM 174 O O . ILE A 1 23 ? 33.233 23.659 16.384 1.00 8.71 ? 23 ILE A O 1 ATOM 175 C CB . ILE A 1 23 ? 30.520 22.300 17.764 1.00 10.78 ? 23 ILE A CB 1 ATOM 176 C CG1 . ILE A 1 23 ? 29.006 22.043 17.442 1.00 11.38 ? 23 ILE A CG1 1 ATOM 177 C CG2 . ILE A 1 23 ? 30.832 23.699 18.358 1.00 10.90 ? 23 ILE A CG2 1 ATOM 178 C CD1 . ILE A 1 23 ? 28.407 22.948 16.366 1.00 12.30 ? 23 ILE A CD1 1 ATOM 179 N N . GLU A 1 24 ? 33.548 21.526 16.950 1.00 9.54 ? 24 GLU A N 1 ATOM 180 C CA . GLU A 1 24 ? 35.031 21.722 17.069 1.00 11.81 ? 24 GLU A CA 1 ATOM 181 C C . GLU A 1 24 ? 35.615 22.190 15.759 1.00 11.14 ? 24 GLU A C 1 ATOM 182 O O . GLU A 1 24 ? 36.532 23.046 15.724 1.00 10.62 ? 24 GLU A O 1 ATOM 183 C CB . GLU A 1 24 ? 35.667 20.383 17.447 1.00 19.24 ? 24 GLU A CB 1 ATOM 184 C CG . GLU A 1 24 ? 37.128 20.293 17.872 1.00 27.76 ? 24 GLU A CG 1 ATOM 185 C CD . GLU A 1 24 ? 37.561 18.851 18.082 1.00 32.92 ? 24 GLU A CD 1 ATOM 186 O OE1 . GLU A 1 24 ? 37.758 18.024 17.195 1.00 34.80 ? 24 GLU A OE1 1 ATOM 187 O OE2 . GLU A 1 24 ? 37.628 18.599 19.313 1.00 36.51 ? 24 GLU A OE2 1 ATOM 188 N N . ASN A 1 25 ? 35.139 21.624 14.662 1.00 9.43 ? 25 ASN A N 1 ATOM 189 C CA . ASN A 1 25 ? 35.590 21.945 13.302 1.00 10.96 ? 25 ASN A CA 1 ATOM 190 C C . ASN A 1 25 ? 35.238 23.382 12.920 1.00 9.68 ? 25 ASN A C 1 ATOM 191 O O . ASN A 1 25 ? 36.066 24.109 12.333 1.00 9.33 ? 25 ASN A O 1 ATOM 192 C CB . ASN A 1 25 ? 35.064 20.957 12.255 1.00 16.78 ? 25 ASN A CB 1 ATOM 193 C CG . ASN A 1 25 ? 35.541 21.418 10.871 1.00 22.31 ? 25 ASN A CG 1 ATOM 194 O OD1 . ASN A 1 25 ? 36.772 21.623 10.676 1.00 25.66 ? 25 ASN A OD1 1 ATOM 195 N ND2 . ASN A 1 25 ? 34.628 21.595 9.920 1.00 24.70 ? 25 ASN A ND2 1 ATOM 196 N N . VAL A 1 26 ? 34.007 23.745 13.250 1.00 6.52 ? 26 VAL A N 1 ATOM 197 C CA . VAL A 1 26 ? 33.533 25.097 12.978 1.00 5.53 ? 26 VAL A CA 1 ATOM 198 C C . VAL A 1 26 ? 34.441 26.099 13.684 1.00 4.42 ? 26 VAL A C 1 ATOM 199 O O . VAL A 1 26 ? 34.883 27.090 13.093 1.00 3.40 ? 26 VAL A O 1 ATOM 200 C CB . VAL A 1 26 ? 32.060 25.257 13.364 1.00 3.86 ? 26 VAL A CB 1 ATOM 201 C CG1 . VAL A 1 26 ? 31.684 26.749 13.342 1.00 7.25 ? 26 VAL A CG1 1 ATOM 202 C CG2 . VAL A 1 26 ? 31.152 24.421 12.477 1.00 8.12 ? 26 VAL A CG2 1 ATOM 203 N N . LYS A 1 27 ? 34.734 25.822 14.949 1.00 2.64 ? 27 LYS A N 1 ATOM 204 C CA . LYS A 1 27 ? 35.596 26.715 15.736 1.00 4.14 ? 27 LYS A CA 1 ATOM 205 C C . LYS A 1 27 ? 36.975 26.826 15.107 1.00 5.58 ? 27 LYS A C 1 ATOM 206 O O . LYS A 1 27 ? 37.579 27.926 15.159 1.00 4.11 ? 27 LYS A O 1 ATOM 207 C CB . LYS A 1 27 ? 35.715 26.203 17.172 1.00 3.97 ? 27 LYS A CB 1 ATOM 208 C CG . LYS A 1 27 ? 34.343 26.445 17.898 1.00 7.45 ? 27 LYS A CG 1 ATOM 209 C CD . LYS A 1 27 ? 34.509 26.077 19.360 1.00 9.02 ? 27 LYS A CD 1 ATOM 210 C CE . LYS A 1 27 ? 33.206 26.311 20.122 1.00 12.90 ? 27 LYS A CE 1 ATOM 211 N NZ . LYS A 1 27 ? 33.455 25.910 21.546 1.00 15.47 ? 27 LYS A NZ 1 ATOM 212 N N . ALA A 1 28 ? 37.499 25.743 14.571 1.00 6.61 ? 28 ALA A N 1 ATOM 213 C CA . ALA A 1 28 ? 38.794 25.761 13.880 1.00 7.74 ? 28 ALA A CA 1 ATOM 214 C C . ALA A 1 28 ? 38.728 26.591 12.611 1.00 9.17 ? 28 ALA A C 1 ATOM 215 O O . ALA A 1 28 ? 39.704 27.346 12.277 1.00 11.45 ? 28 ALA A O 1 ATOM 216 C CB . ALA A 1 28 ? 39.285 24.336 13.566 1.00 7.68 ? 28 ALA A CB 1 ATOM 217 N N . LYS A 1 29 ? 37.633 26.543 11.867 1.00 8.96 ? 29 LYS A N 1 ATOM 218 C CA . LYS A 1 29 ? 37.471 27.391 10.668 1.00 7.90 ? 29 LYS A CA 1 ATOM 219 C C . LYS A 1 29 ? 37.441 28.882 11.052 1.00 6.92 ? 29 LYS A C 1 ATOM 220 O O . LYS A 1 29 ? 38.020 29.772 10.382 1.00 6.87 ? 29 LYS A O 1 ATOM 221 C CB . LYS A 1 29 ? 36.193 27.058 9.911 1.00 10.28 ? 29 LYS A CB 1 ATOM 222 C CG . LYS A 1 29 ? 36.153 25.620 9.409 1.00 14.94 ? 29 LYS A CG 1 ATOM 223 C CD . LYS A 1 29 ? 34.758 25.280 8.900 1.00 19.69 ? 29 LYS A CD 1 ATOM 224 C CE . LYS A 1 29 ? 34.793 24.264 7.767 1.00 22.63 ? 29 LYS A CE 1 ATOM 225 N NZ . LYS A 1 29 ? 34.914 24.944 6.441 1.00 24.98 ? 29 LYS A NZ 1 ATOM 226 N N . ILE A 1 30 ? 36.811 29.170 12.192 1.00 4.57 ? 30 ILE A N 1 ATOM 227 C CA . ILE A 1 30 ? 36.731 30.570 12.645 1.00 5.58 ? 30 ILE A CA 1 ATOM 228 C C . ILE A 1 30 ? 38.148 30.981 13.069 1.00 7.26 ? 30 ILE A C 1 ATOM 229 O O . ILE A 1 30 ? 38.544 32.150 12.856 1.00 9.46 ? 30 ILE A O 1 ATOM 230 C CB . ILE A 1 30 ? 35.708 30.776 13.806 1.00 5.36 ? 30 ILE A CB 1 ATOM 231 C CG1 . ILE A 1 30 ? 34.228 30.630 13.319 1.00 2.94 ? 30 ILE A CG1 1 ATOM 232 C CG2 . ILE A 1 30 ? 35.874 32.138 14.512 1.00 2.78 ? 30 ILE A CG2 1 ATOM 233 C CD1 . ILE A 1 30 ? 33.284 30.504 14.552 1.00 2.00 ? 30 ILE A CD1 1 ATOM 234 N N . GLN A 1 31 ? 38.883 30.110 13.713 1.00 7.06 ? 31 GLN A N 1 ATOM 235 C CA . GLN A 1 31 ? 40.269 30.508 14.115 1.00 8.67 ? 31 GLN A CA 1 ATOM 236 C C . GLN A 1 31 ? 41.092 30.808 12.851 1.00 10.90 ? 31 GLN A C 1 ATOM 237 O O . GLN A 1 31 ? 41.828 31.808 12.681 1.00 9.63 ? 31 GLN A O 1 ATOM 238 C CB . GLN A 1 31 ? 40.996 29.399 14.865 1.00 9.12 ? 31 GLN A CB 1 ATOM 239 C CG . GLN A 1 31 ? 42.445 29.848 15.182 1.00 10.76 ? 31 GLN A CG 1 ATOM 240 C CD . GLN A 1 31 ? 43.090 28.828 16.095 1.00 13.78 ? 31 GLN A CD 1 ATOM 241 O OE1 . GLN A 1 31 ? 42.770 27.655 15.906 1.00 14.48 ? 31 GLN A OE1 1 ATOM 242 N NE2 . GLN A 1 31 ? 43.898 29.252 17.050 1.00 14.76 ? 31 GLN A NE2 1 ATOM 243 N N . ASP A 1 32 ? 41.001 29.878 11.931 1.00 10.93 ? 32 ASP A N 1 ATOM 244 C CA . ASP A 1 32 ? 41.718 30.022 10.643 1.00 14.01 ? 32 ASP A CA 1 ATOM 245 C C . ASP A 1 32 ? 41.399 31.338 9.967 1.00 14.04 ? 32 ASP A C 1 ATOM 246 O O . ASP A 1 32 ? 42.260 32.036 9.381 1.00 13.39 ? 32 ASP A O 1 ATOM 247 C CB . ASP A 1 32 ? 41.398 28.780 9.810 1.00 18.01 ? 32 ASP A CB 1 ATOM 248 C CG . ASP A 1 32 ? 42.626 28.557 8.928 1.00 24.33 ? 32 ASP A CG 1 ATOM 249 O OD1 . ASP A 1 32 ? 43.666 28.262 9.539 1.00 26.29 ? 32 ASP A OD1 1 ATOM 250 O OD2 . ASP A 1 32 ? 42.430 28.812 7.728 1.00 25.17 ? 32 ASP A OD2 1 ATOM 251 N N . LYS A 1 33 ? 40.117 31.750 9.988 1.00 14.22 ? 33 LYS A N 1 ATOM 252 C CA . LYS A 1 33 ? 39.808 32.994 9.233 1.00 14.00 ? 33 LYS A CA 1 ATOM 253 C C . LYS A 1 33 ? 39.837 34.271 9.995 1.00 12.37 ? 33 LYS A C 1 ATOM 254 O O . LYS A 1 33 ? 40.164 35.323 9.345 1.00 12.17 ? 33 LYS A O 1 ATOM 255 C CB . LYS A 1 33 ? 38.615 32.801 8.320 1.00 18.62 ? 33 LYS A CB 1 ATOM 256 C CG . LYS A 1 33 ? 37.220 32.822 8.827 1.00 24.00 ? 33 LYS A CG 1 ATOM 257 C CD . LYS A 1 33 ? 36.351 33.613 7.838 1.00 27.61 ? 33 LYS A CD 1 ATOM 258 C CE . LYS A 1 33 ? 36.322 32.944 6.477 1.00 27.64 ? 33 LYS A CE 1 ATOM 259 N NZ . LYS A 1 33 ? 35.768 33.945 5.489 1.00 30.06 ? 33 LYS A NZ 1 ATOM 260 N N . GLU A 1 34 ? 39.655 34.335 11.285 1.00 10.11 ? 34 GLU A N 1 ATOM 261 C CA . GLU A 1 34 ? 39.676 35.547 12.072 1.00 10.07 ? 34 GLU A CA 1 ATOM 262 C C . GLU A 1 34 ? 40.675 35.527 13.200 1.00 9.32 ? 34 GLU A C 1 ATOM 263 O O . GLU A 1 34 ? 40.814 36.528 13.911 1.00 11.61 ? 34 GLU A O 1 ATOM 264 C CB . GLU A 1 34 ? 38.290 35.814 12.698 1.00 14.77 ? 34 GLU A CB 1 ATOM 265 C CG . GLU A 1 34 ? 37.156 35.985 11.688 1.00 18.75 ? 34 GLU A CG 1 ATOM 266 C CD . GLU A 1 34 ? 37.192 37.361 11.033 1.00 22.28 ? 34 GLU A CD 1 ATOM 267 O OE1 . GLU A 1 34 ? 37.519 38.360 11.645 1.00 21.95 ? 34 GLU A OE1 1 ATOM 268 O OE2 . GLU A 1 34 ? 36.861 37.320 9.822 1.00 25.19 ? 34 GLU A OE2 1 ATOM 269 N N . GLY A 1 35 ? 41.317 34.393 13.432 1.00 7.22 ? 35 GLY A N 1 ATOM 270 C CA . GLY A 1 35 ? 42.345 34.269 14.431 1.00 6.29 ? 35 GLY A CA 1 ATOM 271 C C . GLY A 1 35 ? 41.949 34.076 15.842 1.00 6.93 ? 35 GLY A C 1 ATOM 272 O O . GLY A 1 35 ? 42.829 34.000 16.739 1.00 7.41 ? 35 GLY A O 1 ATOM 273 N N . ILE A 1 36 ? 40.642 33.916 16.112 1.00 5.86 ? 36 ILE A N 1 ATOM 274 C CA . ILE A 1 36 ? 40.226 33.716 17.509 1.00 6.07 ? 36 ILE A CA 1 ATOM 275 C C . ILE A 1 36 ? 40.449 32.278 17.945 1.00 6.36 ? 36 ILE A C 1 ATOM 276 O O . ILE A 1 36 ? 39.936 31.336 17.315 1.00 6.18 ? 36 ILE A O 1 ATOM 277 C CB . ILE A 1 36 ? 38.693 34.106 17.595 1.00 7.47 ? 36 ILE A CB 1 ATOM 278 C CG1 . ILE A 1 36 ? 38.471 35.546 17.045 1.00 8.52 ? 36 ILE A CG1 1 ATOM 279 C CG2 . ILE A 1 36 ? 38.146 33.932 19.027 1.00 7.36 ? 36 ILE A CG2 1 ATOM 280 C CD1 . ILE A 1 36 ? 36.958 35.746 16.680 1.00 9.49 ? 36 ILE A CD1 1 ATOM 281 N N . PRO A 1 37 ? 41.189 32.085 19.031 1.00 8.65 ? 37 PRO A N 1 ATOM 282 C CA . PRO A 1 37 ? 41.461 30.751 19.594 1.00 9.18 ? 37 PRO A CA 1 ATOM 283 C C . PRO A 1 37 ? 40.168 30.026 19.918 1.00 9.85 ? 37 PRO A C 1 ATOM 284 O O . PRO A 1 37 ? 39.264 30.662 20.521 1.00 8.51 ? 37 PRO A O 1 ATOM 285 C CB . PRO A 1 37 ? 42.195 31.142 20.913 1.00 11.42 ? 37 PRO A CB 1 ATOM 286 C CG . PRO A 1 37 ? 42.904 32.414 20.553 1.00 9.27 ? 37 PRO A CG 1 ATOM 287 C CD . PRO A 1 37 ? 41.822 33.188 19.813 1.00 8.33 ? 37 PRO A CD 1 ATOM 288 N N . PRO A 1 38 ? 40.059 28.758 19.607 1.00 8.71 ? 38 PRO A N 1 ATOM 289 C CA . PRO A 1 38 ? 38.817 28.020 19.889 1.00 9.08 ? 38 PRO A CA 1 ATOM 290 C C . PRO A 1 38 ? 38.421 28.048 21.341 1.00 9.28 ? 38 PRO A C 1 ATOM 291 O O . PRO A 1 38 ? 37.213 28.036 21.704 1.00 6.50 ? 38 PRO A O 1 ATOM 292 C CB . PRO A 1 38 ? 39.090 26.629 19.325 1.00 10.31 ? 38 PRO A CB 1 ATOM 293 C CG . PRO A 1 38 ? 40.082 26.904 18.198 1.00 10.81 ? 38 PRO A CG 1 ATOM 294 C CD . PRO A 1 38 ? 41.035 27.909 18.879 1.00 12.00 ? 38 PRO A CD 1 ATOM 295 N N . ASP A 1 39 ? 39.374 28.090 22.240 1.00 11.20 ? 39 ASP A N 1 ATOM 296 C CA . ASP A 1 39 ? 39.063 28.063 23.695 1.00 14.96 ? 39 ASP A CA 1 ATOM 297 C C . ASP A 1 39 ? 38.365 29.335 24.159 1.00 13.99 ? 39 ASP A C 1 ATOM 298 O O . ASP A 1 39 ? 37.684 29.390 25.221 1.00 13.75 ? 39 ASP A O 1 ATOM 299 C CB . ASP A 1 39 ? 40.340 27.692 24.468 1.00 24.16 ? 39 ASP A CB 1 ATOM 300 C CG . ASP A 1 39 ? 40.559 28.585 25.675 1.00 31.06 ? 39 ASP A CG 1 ATOM 301 O OD1 . ASP A 1 39 ? 40.716 29.809 25.456 1.00 35.55 ? 39 ASP A OD1 1 ATOM 302 O OD2 . ASP A 1 39 ? 40.549 28.090 26.840 1.00 34.22 ? 39 ASP A OD2 1 ATOM 303 N N . GLN A 1 40 ? 38.419 30.373 23.341 1.00 11.60 ? 40 GLN A N 1 ATOM 304 C CA . GLN A 1 40 ? 37.738 31.637 23.712 1.00 10.76 ? 40 GLN A CA 1 ATOM 305 C C . GLN A 1 40 ? 36.334 31.742 23.087 1.00 8.01 ? 40 GLN A C 1 ATOM 306 O O . GLN A 1 40 ? 35.574 32.618 23.483 1.00 8.96 ? 40 GLN A O 1 ATOM 307 C CB . GLN A 1 40 ? 38.528 32.854 23.182 1.00 11.14 ? 40 GLN A CB 1 ATOM 308 C CG . GLN A 1 40 ? 39.919 32.854 23.840 1.00 14.85 ? 40 GLN A CG 1 ATOM 309 C CD . GLN A 1 40 ? 40.760 34.036 23.394 1.00 16.11 ? 40 GLN A CD 1 ATOM 310 O OE1 . GLN A 1 40 ? 41.975 34.008 23.624 1.00 20.52 ? 40 GLN A OE1 1 ATOM 311 N NE2 . GLN A 1 40 ? 40.140 35.007 22.775 1.00 18.16 ? 40 GLN A NE2 1 ATOM 312 N N . GLN A 1 41 ? 36.000 30.860 22.172 1.00 6.52 ? 41 GLN A N 1 ATOM 313 C CA . GLN A 1 41 ? 34.738 30.875 21.473 1.00 3.87 ? 41 GLN A CA 1 ATOM 314 C C . GLN A 1 41 ? 33.589 30.189 22.181 1.00 4.79 ? 41 GLN A C 1 ATOM 315 O O . GLN A 1 41 ? 33.580 29.009 22.499 1.00 6.34 ? 41 GLN A O 1 ATOM 316 C CB . GLN A 1 41 ? 34.876 30.237 20.066 1.00 4.20 ? 41 GLN A CB 1 ATOM 317 C CG . GLN A 1 41 ? 36.012 30.860 19.221 1.00 3.20 ? 41 GLN A CG 1 ATOM 318 C CD . GLN A 1 41 ? 36.083 30.194 17.875 1.00 4.89 ? 41 GLN A CD 1 ATOM 319 O OE1 . GLN A 1 41 ? 35.048 29.702 17.393 1.00 5.21 ? 41 GLN A OE1 1 ATOM 320 N NE2 . GLN A 1 41 ? 37.228 30.126 17.233 1.00 7.13 ? 41 GLN A NE2 1 ATOM 321 N N . ARG A 1 42 ? 32.478 30.917 22.269 1.00 5.73 ? 42 ARG A N 1 ATOM 322 C CA . ARG A 1 42 ? 31.200 30.329 22.780 1.00 6.97 ? 42 ARG A CA 1 ATOM 323 C C . ARG A 1 42 ? 30.210 30.509 21.650 1.00 7.15 ? 42 ARG A C 1 ATOM 324 O O . ARG A 1 42 ? 29.978 31.726 21.269 1.00 7.33 ? 42 ARG A O 1 ATOM 325 C CB . ARG A 1 42 ? 30.847 30.931 24.118 1.00 13.23 ? 42 ARG A CB 1 ATOM 326 C CG . ARG A 1 42 ? 29.412 30.796 24.598 1.00 21.27 ? 42 ARG A CG 1 ATOM 327 C CD . ARG A 1 42 ? 29.271 31.314 26.016 1.00 26.14 ? 42 ARG A CD 1 ATOM 328 N NE . ARG A 1 42 ? 27.875 31.317 26.443 1.00 32.26 ? 42 ARG A NE 1 ATOM 329 C CZ . ARG A 1 42 ? 27.132 32.423 26.574 1.00 34.32 ? 42 ARG A CZ 1 ATOM 330 N NH1 . ARG A 1 42 ? 27.630 33.656 26.461 1.00 35.30 ? 42 ARG A NH1 1 ATOM 331 N NH2 . ARG A 1 42 ? 25.810 32.299 26.732 1.00 36.39 ? 42 ARG A NH2 1 ATOM 332 N N . LEU A 1 43 ? 29.694 29.436 21.054 1.00 4.65 ? 43 LEU A N 1 ATOM 333 C CA . LEU A 1 43 ? 28.762 29.573 19.906 1.00 3.51 ? 43 LEU A CA 1 ATOM 334 C C . LEU A 1 43 ? 27.331 29.317 20.364 1.00 5.56 ? 43 LEU A C 1 ATOM 335 O O . LEU A 1 43 ? 27.101 28.346 21.097 1.00 4.19 ? 43 LEU A O 1 ATOM 336 C CB . LEU A 1 43 ? 29.151 28.655 18.755 1.00 3.74 ? 43 LEU A CB 1 ATOM 337 C CG . LEU A 1 43 ? 30.416 28.912 17.980 1.00 6.32 ? 43 LEU A CG 1 ATOM 338 C CD1 . LEU A 1 43 ? 30.738 27.693 17.122 1.00 9.55 ? 43 LEU A CD1 1 ATOM 339 C CD2 . LEU A 1 43 ? 30.205 30.168 17.129 1.00 6.41 ? 43 LEU A CD2 1 ATOM 340 N N . ILE A 1 44 ? 26.436 30.232 20.004 1.00 4.58 ? 44 ILE A N 1 ATOM 341 C CA . ILE A 1 44 ? 25.034 30.170 20.401 1.00 5.55 ? 44 ILE A CA 1 ATOM 342 C C . ILE A 1 44 ? 24.101 30.149 19.196 1.00 5.46 ? 44 ILE A C 1 ATOM 343 O O . ILE A 1 44 ? 24.196 30.948 18.287 1.00 6.04 ? 44 ILE A O 1 ATOM 344 C CB . ILE A 1 44 ? 24.639 31.426 21.286 1.00 6.80 ? 44 ILE A CB 1 ATOM 345 C CG1 . ILE A 1 44 ? 25.646 31.670 22.421 1.00 10.31 ? 44 ILE A CG1 1 ATOM 346 C CG2 . ILE A 1 44 ? 23.181 31.309 21.824 1.00 7.39 ? 44 ILE A CG2 1 ATOM 347 C CD1 . ILE A 1 44 ? 25.778 30.436 23.356 1.00 13.90 ? 44 ILE A CD1 1 ATOM 348 N N . PHE A 1 45 ? 23.141 29.187 19.241 1.00 6.75 ? 45 PHE A N 1 ATOM 349 C CA . PHE A 1 45 ? 22.126 29.062 18.183 1.00 4.70 ? 45 PHE A CA 1 ATOM 350 C C . PHE A 1 45 ? 20.835 28.629 18.904 1.00 6.34 ? 45 PHE A C 1 ATOM 351 O O . PHE A 1 45 ? 20.821 27.734 19.749 1.00 5.45 ? 45 PHE A O 1 ATOM 352 C CB . PHE A 1 45 ? 22.494 28.057 17.109 1.00 5.51 ? 45 PHE A CB 1 ATOM 353 C CG . PHE A 1 45 ? 21.447 27.869 16.026 1.00 5.98 ? 45 PHE A CG 1 ATOM 354 C CD1 . PHE A 1 45 ? 21.325 28.813 15.005 1.00 6.86 ? 45 PHE A CD1 1 ATOM 355 C CD2 . PHE A 1 45 ? 20.638 26.735 16.053 1.00 5.87 ? 45 PHE A CD2 1 ATOM 356 C CE1 . PHE A 1 45 ? 20.369 28.648 14.001 1.00 6.68 ? 45 PHE A CE1 1 ATOM 357 C CE2 . PHE A 1 45 ? 19.677 26.539 15.051 1.00 6.64 ? 45 PHE A CE2 1 ATOM 358 C CZ . PHE A 1 45 ? 19.593 27.465 14.021 1.00 6.84 ? 45 PHE A CZ 1 ATOM 359 N N . ALA A 1 46 ? 19.810 29.378 18.578 1.00 6.53 ? 46 ALA A N 1 ATOM 360 C CA . ALA A 1 46 ? 18.443 29.143 19.083 1.00 7.15 ? 46 ALA A CA 1 ATOM 361 C C . ALA A 1 46 ? 18.453 28.941 20.591 1.00 9.00 ? 46 ALA A C 1 ATOM 362 O O . ALA A 1 46 ? 17.860 27.994 21.128 1.00 11.15 ? 46 ALA A O 1 ATOM 363 C CB . ALA A 1 46 ? 17.864 27.977 18.346 1.00 8.99 ? 46 ALA A CB 1 ATOM 364 N N . GLY A 1 47 ? 19.172 29.808 21.243 1.00 9.35 ? 47 GLY A N 1 ATOM 365 C CA . GLY A 1 47 ? 19.399 29.894 22.655 1.00 11.68 ? 47 GLY A CA 1 ATOM 366 C C . GLY A 1 47 ? 20.083 28.729 23.321 1.00 11.14 ? 47 GLY A C 1 ATOM 367 O O . GLY A 1 47 ? 19.991 28.584 24.561 1.00 13.93 ? 47 GLY A O 1 ATOM 368 N N . LYS A 1 48 ? 20.801 27.931 22.578 1.00 10.47 ? 48 LYS A N 1 ATOM 369 C CA . LYS A 1 48 ? 21.550 26.796 23.133 1.00 8.82 ? 48 LYS A CA 1 ATOM 370 C C . LYS A 1 48 ? 23.046 27.087 22.913 1.00 7.68 ? 48 LYS A C 1 ATOM 371 O O . LYS A 1 48 ? 23.383 27.627 21.870 1.00 6.47 ? 48 LYS A O 1 ATOM 372 C CB . LYS A 1 48 ? 21.242 25.519 22.391 1.00 9.74 ? 48 LYS A CB 1 ATOM 373 C CG . LYS A 1 48 ? 19.762 25.077 22.455 1.00 14.14 ? 48 LYS A CG 1 ATOM 374 C CD . LYS A 1 48 ? 19.634 23.885 21.531 1.00 16.32 ? 48 LYS A CD 1 ATOM 375 C CE . LYS A 1 48 ? 18.791 24.221 20.313 1.00 20.04 ? 48 LYS A CE 1 ATOM 376 N NZ . LYS A 1 48 ? 17.440 24.655 20.827 1.00 23.92 ? 48 LYS A NZ 1 ATOM 377 N N . GLN A 1 49 ? 23.880 26.727 23.851 1.00 8.89 ? 49 GLN A N 1 ATOM 378 C CA . GLN A 1 49 ? 25.349 26.872 23.643 1.00 7.18 ? 49 GLN A CA 1 ATOM 379 C C . GLN A 1 49 ? 25.743 25.586 22.922 1.00 8.23 ? 49 GLN A C 1 ATOM 380 O O . GLN A 1 49 ? 25.325 24.489 23.378 1.00 9.70 ? 49 GLN A O 1 ATOM 381 C CB . GLN A 1 49 ? 26.070 27.025 24.960 1.00 11.67 ? 49 GLN A CB 1 ATOM 382 C CG . GLN A 1 49 ? 27.553 27.356 24.695 1.00 15.82 ? 49 GLN A CG 1 ATOM 383 C CD . GLN A 1 49 ? 28.262 27.576 26.020 1.00 20.21 ? 49 GLN A CD 1 ATOM 384 O OE1 . GLN A 1 49 ? 29.189 26.840 26.335 1.00 23.23 ? 49 GLN A OE1 1 ATOM 385 N NE2 . GLN A 1 49 ? 27.777 28.585 26.739 1.00 20.67 ? 49 GLN A NE2 1 ATOM 386 N N . LEU A 1 50 ? 26.465 25.689 21.833 1.00 6.51 ? 50 LEU A N 1 ATOM 387 C CA . LEU A 1 50 ? 26.826 24.521 21.012 1.00 7.41 ? 50 LEU A CA 1 ATOM 388 C C . LEU A 1 50 ? 27.994 23.781 21.643 1.00 8.27 ? 50 LEU A C 1 ATOM 389 O O . LEU A 1 50 ? 28.904 24.444 22.098 1.00 8.34 ? 50 LEU A O 1 ATOM 390 C CB . LEU A 1 50 ? 27.043 24.992 19.571 1.00 7.13 ? 50 LEU A CB 1 ATOM 391 C CG . LEU A 1 50 ? 25.931 25.844 18.959 1.00 7.53 ? 50 LEU A CG 1 ATOM 392 C CD1 . LEU A 1 50 ? 26.203 26.083 17.471 1.00 8.14 ? 50 LEU A CD1 1 ATOM 393 C CD2 . LEU A 1 50 ? 24.577 25.190 19.079 1.00 9.11 ? 50 LEU A CD2 1 ATOM 394 N N . GLU A 1 51 ? 27.942 22.448 21.648 1.00 9.43 ? 51 GLU A N 1 ATOM 395 C CA . GLU A 1 51 ? 29.015 21.657 22.288 1.00 11.90 ? 51 GLU A CA 1 ATOM 396 C C . GLU A 1 51 ? 29.942 21.106 21.240 1.00 11.49 ? 51 GLU A C 1 ATOM 397 O O . GLU A 1 51 ? 29.470 20.677 20.190 1.00 9.88 ? 51 GLU A O 1 ATOM 398 C CB . GLU A 1 51 ? 28.348 20.540 23.066 1.00 16.56 ? 51 GLU A CB 1 ATOM 399 C CG . GLU A 1 51 ? 29.247 19.456 23.705 1.00 26.06 ? 51 GLU A CG 1 ATOM 400 C CD . GLU A 1 51 ? 28.722 19.047 25.066 1.00 29.86 ? 51 GLU A CD 1 ATOM 401 O OE1 . GLU A 1 51 ? 29.139 18.132 25.746 1.00 32.13 ? 51 GLU A OE1 1 ATOM 402 O OE2 . GLU A 1 51 ? 27.777 19.842 25.367 1.00 33.44 ? 51 GLU A OE2 1 ATOM 403 N N . ASP A 1 52 ? 31.233 21.090 21.459 1.00 12.71 ? 52 ASP A N 1 ATOM 404 C CA . ASP A 1 52 ? 32.262 20.670 20.514 1.00 16.56 ? 52 ASP A CA 1 ATOM 405 C C . ASP A 1 52 ? 32.128 19.364 19.750 1.00 15.83 ? 52 ASP A C 1 ATOM 406 O O . ASP A 1 52 ? 32.546 19.317 18.558 1.00 17.21 ? 52 ASP A O 1 ATOM 407 C CB . ASP A 1 52 ? 33.638 20.716 21.242 1.00 21.05 ? 52 ASP A CB 1 ATOM 408 C CG . ASP A 1 52 ? 34.174 22.129 21.354 1.00 25.12 ? 52 ASP A CG 1 ATOM 409 O OD1 . ASP A 1 52 ? 35.252 22.322 21.958 1.00 28.37 ? 52 ASP A OD1 1 ATOM 410 O OD2 . ASP A 1 52 ? 33.544 23.086 20.883 1.00 25.82 ? 52 ASP A OD2 1 ATOM 411 N N . GLY A 1 53 ? 31.697 18.311 20.406 1.00 15.00 ? 53 GLY A N 1 ATOM 412 C CA . GLY A 1 53 ? 31.568 16.962 19.825 1.00 11.77 ? 53 GLY A CA 1 ATOM 413 C C . GLY A 1 53 ? 30.320 16.698 19.051 1.00 11.10 ? 53 GLY A C 1 ATOM 414 O O . GLY A 1 53 ? 30.198 15.657 18.366 1.00 11.25 ? 53 GLY A O 1 ATOM 415 N N . ARG A 1 54 ? 29.340 17.594 19.076 1.00 8.53 ? 54 ARG A N 1 ATOM 416 C CA . ARG A 1 54 ? 28.108 17.439 18.276 1.00 9.05 ? 54 ARG A CA 1 ATOM 417 C C . ARG A 1 54 ? 28.375 17.999 16.887 1.00 8.96 ? 54 ARG A C 1 ATOM 418 O O . ARG A 1 54 ? 29.326 18.786 16.690 1.00 11.60 ? 54 ARG A O 1 ATOM 419 C CB . ARG A 1 54 ? 26.926 18.191 18.892 1.00 7.97 ? 54 ARG A CB 1 ATOM 420 C CG . ARG A 1 54 ? 26.621 17.799 20.352 1.00 9.62 ? 54 ARG A CG 1 ATOM 421 C CD . ARG A 1 54 ? 26.010 16.370 20.280 1.00 12.20 ? 54 ARG A CD 1 ATOM 422 N NE . ARG A 1 54 ? 26.975 15.521 20.942 1.00 18.23 ? 54 ARG A NE 1 ATOM 423 C CZ . ARG A 1 54 ? 27.603 14.423 20.655 1.00 22.08 ? 54 ARG A CZ 1 ATOM 424 N NH1 . ARG A 1 54 ? 27.479 13.733 19.537 1.00 23.38 ? 54 ARG A NH1 1 ATOM 425 N NH2 . ARG A 1 54 ? 28.519 13.967 21.550 1.00 25.50 ? 54 ARG A NH2 1 ATOM 426 N N . THR A 1 55 ? 27.510 17.689 15.954 1.00 9.05 ? 55 THR A N 1 ATOM 427 C CA . THR A 1 55 ? 27.574 18.192 14.563 1.00 9.03 ? 55 THR A CA 1 ATOM 428 C C . THR A 1 55 ? 26.482 19.280 14.432 1.00 8.15 ? 55 THR A C 1 ATOM 429 O O . THR A 1 55 ? 25.609 19.388 15.287 1.00 5.91 ? 55 THR A O 1 ATOM 430 C CB . THR A 1 55 ? 27.299 17.055 13.533 1.00 11.15 ? 55 THR A CB 1 ATOM 431 O OG1 . THR A 1 55 ? 25.925 16.611 13.913 1.00 11.95 ? 55 THR A OG1 1 ATOM 432 C CG2 . THR A 1 55 ? 28.236 15.864 13.558 1.00 11.71 ? 55 THR A CG2 1 ATOM 433 N N . LEU A 1 56 ? 26.585 20.063 13.378 1.00 6.91 ? 56 LEU A N 1 ATOM 434 C CA . LEU A 1 56 ? 25.594 21.109 13.072 1.00 8.29 ? 56 LEU A CA 1 ATOM 435 C C . LEU A 1 56 ? 24.241 20.436 12.857 1.00 8.05 ? 56 LEU A C 1 ATOM 436 O O . LEU A 1 56 ? 23.264 20.951 13.329 1.00 10.17 ? 56 LEU A O 1 ATOM 437 C CB . LEU A 1 56 ? 26.084 21.888 11.833 1.00 6.60 ? 56 LEU A CB 1 ATOM 438 C CG . LEU A 1 56 ? 27.426 22.616 11.902 1.00 7.73 ? 56 LEU A CG 1 ATOM 439 C CD1 . LEU A 1 56 ? 27.718 23.341 10.578 1.00 9.85 ? 56 LEU A CD1 1 ATOM 440 C CD2 . LEU A 1 56 ? 27.380 23.721 12.955 1.00 8.64 ? 56 LEU A CD2 1 ATOM 441 N N . SER A 1 57 ? 24.240 19.233 12.246 1.00 8.92 ? 57 SER A N 1 ATOM 442 C CA . SER A 1 57 ? 22.924 18.583 12.025 1.00 9.00 ? 57 SER A CA 1 ATOM 443 C C . SER A 1 57 ? 22.229 18.244 13.325 1.00 9.44 ? 57 SER A C 1 ATOM 444 O O . SER A 1 57 ? 20.963 18.253 13.395 1.00 10.91 ? 57 SER A O 1 ATOM 445 C CB . SER A 1 57 ? 23.059 17.326 11.154 1.00 10.32 ? 57 SER A CB 1 ATOM 446 O OG . SER A 1 57 ? 23.914 16.395 11.755 1.00 13.59 ? 57 SER A OG 1 ATOM 447 N N . ASP A 1 58 ? 22.997 17.978 14.366 1.00 9.11 ? 58 ASP A N 1 ATOM 448 C CA . ASP A 1 58 ? 22.418 17.638 15.693 1.00 7.91 ? 58 ASP A CA 1 ATOM 449 C C . ASP A 1 58 ? 21.460 18.737 16.163 1.00 9.12 ? 58 ASP A C 1 ATOM 450 O O . ASP A 1 58 ? 20.497 18.506 16.900 1.00 8.61 ? 58 ASP A O 1 ATOM 451 C CB . ASP A 1 58 ? 23.461 17.331 16.741 1.00 8.41 ? 58 ASP A CB 1 ATOM 452 C CG . ASP A 1 58 ? 24.184 16.016 16.619 1.00 11.50 ? 58 ASP A CG 1 ATOM 453 O OD1 . ASP A 1 58 ? 25.303 15.894 17.152 1.00 10.05 ? 58 ASP A OD1 1 ATOM 454 O OD2 . ASP A 1 58 ? 23.572 15.107 15.975 1.00 11.70 ? 58 ASP A OD2 1 ATOM 455 N N . TYR A 1 59 ? 21.846 19.954 15.905 1.00 7.97 ? 59 TYR A N 1 ATOM 456 C CA . TYR A 1 59 ? 21.079 21.149 16.251 1.00 8.45 ? 59 TYR A CA 1 ATOM 457 C C . TYR A 1 59 ? 20.142 21.590 15.149 1.00 10.98 ? 59 TYR A C 1 ATOM 458 O O . TYR A 1 59 ? 19.499 22.645 15.321 1.00 12.95 ? 59 TYR A O 1 ATOM 459 C CB . TYR A 1 59 ? 22.085 22.254 16.581 1.00 7.94 ? 59 TYR A CB 1 ATOM 460 C CG . TYR A 1 59 ? 22.945 21.951 17.785 1.00 6.91 ? 59 TYR A CG 1 ATOM 461 C CD1 . TYR A 1 59 ? 24.272 21.544 17.644 1.00 4.59 ? 59 TYR A CD1 1 ATOM 462 C CD2 . TYR A 1 59 ? 22.437 22.157 19.065 1.00 6.98 ? 59 TYR A CD2 1 ATOM 463 C CE1 . TYR A 1 59 ? 25.052 21.285 18.776 1.00 5.39 ? 59 TYR A CE1 1 ATOM 464 C CE2 . TYR A 1 59 ? 23.204 21.907 20.192 1.00 6.52 ? 59 TYR A CE2 1 ATOM 465 C CZ . TYR A 1 59 ? 24.517 21.470 20.030 1.00 6.76 ? 59 TYR A CZ 1 ATOM 466 O OH . TYR A 1 59 ? 25.248 21.302 21.191 1.00 7.63 ? 59 TYR A OH 1 ATOM 467 N N . ASN A 1 60 ? 19.993 20.884 14.049 1.00 12.38 ? 60 ASN A N 1 ATOM 468 C CA . ASN A 1 60 ? 19.065 21.352 12.999 1.00 13.94 ? 60 ASN A CA 1 ATOM 469 C C . ASN A 1 60 ? 19.442 22.745 12.510 1.00 14.16 ? 60 ASN A C 1 ATOM 470 O O . ASN A 1 60 ? 18.571 23.610 12.289 1.00 14.26 ? 60 ASN A O 1 ATOM 471 C CB . ASN A 1 60 ? 17.586 21.282 13.461 1.00 19.23 ? 60 ASN A CB 1 ATOM 472 C CG . ASN A 1 60 ? 16.576 21.258 12.315 1.00 22.65 ? 60 ASN A CG 1 ATOM 473 O OD1 . ASN A 1 60 ? 15.440 21.819 12.378 1.00 25.45 ? 60 ASN A OD1 1 ATOM 474 N ND2 . ASN A 1 60 ? 16.924 20.586 11.216 1.00 24.09 ? 60 ASN A ND2 1 ATOM 475 N N . ILE A 1 61 ? 20.717 22.964 12.260 1.00 11.08 ? 61 ILE A N 1 ATOM 476 C CA . ILE A 1 61 ? 21.184 24.263 11.690 1.00 11.78 ? 61 ILE A CA 1 ATOM 477 C C . ILE A 1 61 ? 21.110 24.111 10.173 1.00 13.74 ? 61 ILE A C 1 ATOM 478 O O . ILE A 1 61 ? 21.841 23.198 9.686 1.00 14.60 ? 61 ILE A O 1 ATOM 479 C CB . ILE A 1 61 ? 22.650 24.516 12.172 1.00 11.80 ? 61 ILE A CB 1 ATOM 480 C CG1 . ILE A 1 61 ? 22.662 24.819 13.699 1.00 11.56 ? 61 ILE A CG1 1 ATOM 481 C CG2 . ILE A 1 61 ? 23.376 25.645 11.409 1.00 13.29 ? 61 ILE A CG2 1 ATOM 482 C CD1 . ILE A 1 61 ? 24.123 24.981 14.195 1.00 11.42 ? 61 ILE A CD1 1 ATOM 483 N N . GLN A 1 62 ? 20.291 24.875 9.507 1.00 13.97 ? 62 GLN A N 1 ATOM 484 C CA . GLN A 1 62 ? 20.081 24.773 8.033 1.00 15.52 ? 62 GLN A CA 1 ATOM 485 C C . GLN A 1 62 ? 20.822 25.914 7.332 1.00 13.94 ? 62 GLN A C 1 ATOM 486 O O . GLN A 1 62 ? 21.323 26.830 8.008 1.00 12.15 ? 62 GLN A O 1 ATOM 487 C CB . GLN A 1 62 ? 18.599 24.736 7.727 1.00 19.53 ? 62 GLN A CB 1 ATOM 488 C CG . GLN A 1 62 ? 17.819 23.434 7.900 1.00 26.38 ? 62 GLN A CG 1 ATOM 489 C CD . GLN A 1 62 ? 16.509 23.529 7.116 1.00 30.61 ? 62 GLN A CD 1 ATOM 490 O OE1 . GLN A 1 62 ? 15.446 22.980 7.433 1.00 33.23 ? 62 GLN A OE1 1 ATOM 491 N NE2 . GLN A 1 62 ? 16.539 24.293 6.009 1.00 32.71 ? 62 GLN A NE2 1 ATOM 492 N N . LYS A 1 63 ? 20.924 25.862 6.006 1.00 11.73 ? 63 LYS A N 1 ATOM 493 C CA . LYS A 1 63 ? 21.656 26.847 5.240 1.00 11.97 ? 63 LYS A CA 1 ATOM 494 C C . LYS A 1 63 ? 21.127 28.240 5.574 1.00 10.41 ? 63 LYS A C 1 ATOM 495 O O . LYS A 1 63 ? 19.958 28.465 5.842 1.00 9.59 ? 63 LYS A O 1 ATOM 496 C CB . LYS A 1 63 ? 21.631 26.642 3.731 1.00 13.73 ? 63 LYS A CB 1 ATOM 497 C CG . LYS A 1 63 ? 20.210 26.423 3.175 1.00 16.98 ? 63 LYS A CG 1 ATOM 498 C CD . LYS A 1 63 ? 20.268 26.589 1.656 1.00 20.19 ? 63 LYS A CD 1 ATOM 499 C CE . LYS A 1 63 ? 19.202 25.857 0.891 1.00 23.42 ? 63 LYS A CE 1 ATOM 500 N NZ . LYS A 1 63 ? 17.884 26.544 1.075 1.00 25.97 ? 63 LYS A NZ 1 ATOM 501 N N . GLU A 1 64 ? 22.099 29.163 5.605 1.00 10.04 ? 64 GLU A N 1 ATOM 502 C CA . GLU A 1 64 ? 21.907 30.563 5.881 1.00 10.94 ? 64 GLU A CA 1 ATOM 503 C C . GLU A 1 64 ? 21.466 30.953 7.261 1.00 9.74 ? 64 GLU A C 1 ATOM 504 O O . GLU A 1 64 ? 21.066 32.112 7.533 1.00 9.42 ? 64 GLU A O 1 ATOM 505 C CB . GLU A 1 64 ? 21.023 31.223 4.784 1.00 18.31 ? 64 GLU A CB 1 ATOM 506 C CG . GLU A 1 64 ? 21.861 31.342 3.474 1.00 24.16 ? 64 GLU A CG 1 ATOM 507 C CD . GLU A 1 64 ? 21.156 30.726 2.311 1.00 29.00 ? 64 GLU A CD 1 ATOM 508 O OE1 . GLU A 1 64 ? 19.942 30.793 2.170 1.00 31.72 ? 64 GLU A OE1 1 ATOM 509 O OE2 . GLU A 1 64 ? 21.954 30.152 1.535 1.00 32.61 ? 64 GLU A OE2 1 ATOM 510 N N . SER A 1 65 ? 21.674 30.034 8.191 1.00 6.85 ? 65 SER A N 1 ATOM 511 C CA . SER A 1 65 ? 21.419 30.253 9.620 1.00 6.90 ? 65 SER A CA 1 ATOM 512 C C . SER A 1 65 ? 22.504 31.228 10.136 1.00 4.72 ? 65 SER A C 1 ATOM 513 O O . SER A 1 65 ? 23.579 31.321 9.554 1.00 3.91 ? 65 SER A O 1 ATOM 514 C CB . SER A 1 65 ? 21.637 28.923 10.353 1.00 7.28 ? 65 SER A CB 1 ATOM 515 O OG . SER A 1 65 ? 20.544 28.047 10.059 1.00 10.56 ? 65 SER A OG 1 ATOM 516 N N . THR A 1 66 ? 22.241 31.873 11.241 1.00 4.48 ? 66 THR A N 1 ATOM 517 C CA . THR A 1 66 ? 23.212 32.762 11.891 1.00 3.80 ? 66 THR A CA 1 ATOM 518 C C . THR A 1 66 ? 23.509 32.224 13.290 1.00 4.60 ? 66 THR A C 1 ATOM 519 O O . THR A 1 66 ? 22.544 31.942 14.034 1.00 5.33 ? 66 THR A O 1 ATOM 520 C CB . THR A 1 66 ? 22.699 34.267 11.985 1.00 2.85 ? 66 THR A CB 1 ATOM 521 O OG1 . THR A 1 66 ? 22.495 34.690 10.589 1.00 2.15 ? 66 THR A OG1 1 ATOM 522 C CG2 . THR A 1 66 ? 23.727 35.131 12.722 1.00 3.40 ? 66 THR A CG2 1 ATOM 523 N N . LEU A 1 67 ? 24.790 32.021 13.618 1.00 4.17 ? 67 LEU A N 1 ATOM 524 C CA . LEU A 1 67 ? 25.149 31.609 14.980 1.00 3.85 ? 67 LEU A CA 1 ATOM 525 C C . LEU A 1 67 ? 25.698 32.876 15.669 1.00 3.80 ? 67 LEU A C 1 ATOM 526 O O . LEU A 1 67 ? 26.158 33.730 14.894 1.00 5.54 ? 67 LEU A O 1 ATOM 527 C CB . LEU A 1 67 ? 26.310 30.594 14.967 1.00 7.18 ? 67 LEU A CB 1 ATOM 528 C CG . LEU A 1 67 ? 26.290 29.480 13.960 1.00 9.67 ? 67 LEU A CG 1 ATOM 529 C CD1 . LEU A 1 67 ? 27.393 28.442 14.229 1.00 8.12 ? 67 LEU A CD1 1 ATOM 530 C CD2 . LEU A 1 67 ? 24.942 28.807 13.952 1.00 11.66 ? 67 LEU A CD2 1 ATOM 531 N N . HIS A 1 68 ? 25.621 32.945 16.950 1.00 2.94 ? 68 HIS A N 1 ATOM 532 C CA . HIS A 1 68 ? 26.179 34.127 17.650 1.00 4.17 ? 68 HIS A CA 1 ATOM 533 C C . HIS A 1 68 ? 27.475 33.651 18.304 1.00 5.32 ? 68 HIS A C 1 ATOM 534 O O . HIS A 1 68 ? 27.507 32.587 18.958 1.00 7.70 ? 68 HIS A O 1 ATOM 535 C CB . HIS A 1 68 ? 25.214 34.565 18.780 1.00 5.57 ? 68 HIS A CB 1 ATOM 536 C CG . HIS A 1 68 ? 23.978 35.121 18.126 1.00 9.95 ? 68 HIS A CG 1 ATOM 537 N ND1 . HIS A 1 68 ? 23.853 36.432 17.781 1.00 13.74 ? 68 HIS A ND1 1 ATOM 538 C CD2 . HIS A 1 68 ? 22.824 34.514 17.782 1.00 12.79 ? 68 HIS A CD2 1 ATOM 539 C CE1 . HIS A 1 68 ? 22.674 36.627 17.200 1.00 14.75 ? 68 HIS A CE1 1 ATOM 540 N NE2 . HIS A 1 68 ? 22.045 35.455 17.173 1.00 16.30 ? 68 HIS A NE2 1 ATOM 541 N N . LEU A 1 69 ? 28.525 34.447 18.189 1.00 5.29 ? 69 LEU A N 1 ATOM 542 C CA . LEU A 1 69 ? 29.801 34.145 18.829 1.00 3.97 ? 69 LEU A CA 1 ATOM 543 C C . LEU A 1 69 ? 30.052 35.042 20.004 1.00 5.07 ? 69 LEU A C 1 ATOM 544 O O . LEU A 1 69 ? 30.105 36.305 19.788 1.00 4.34 ? 69 LEU A O 1 ATOM 545 C CB . LEU A 1 69 ? 30.925 34.304 17.753 1.00 6.08 ? 69 LEU A CB 1 ATOM 546 C CG . LEU A 1 69 ? 32.345 34.183 18.358 1.00 7.37 ? 69 LEU A CG 1 ATOM 547 C CD1 . LEU A 1 69 ? 32.555 32.783 18.870 1.00 6.87 ? 69 LEU A CD1 1 ATOM 548 C CD2 . LEU A 1 69 ? 33.361 34.491 17.245 1.00 9.96 ? 69 LEU A CD2 1 ATOM 549 N N . VAL A 1 70 ? 30.124 34.533 21.191 1.00 4.29 ? 70 VAL A N 1 ATOM 550 C CA . VAL A 1 70 ? 30.479 35.369 22.374 1.00 6.26 ? 70 VAL A CA 1 ATOM 551 C C . VAL A 1 70 ? 31.901 34.910 22.728 1.00 9.22 ? 70 VAL A C 1 ATOM 552 O O . VAL A 1 70 ? 32.190 33.696 22.635 1.00 9.36 ? 70 VAL A O 1 ATOM 553 C CB . VAL A 1 70 ? 29.472 35.181 23.498 1.00 8.69 ? 70 VAL A CB 1 ATOM 554 C CG1 . VAL A 1 70 ? 29.821 35.957 24.765 1.00 9.76 ? 70 VAL A CG1 1 ATOM 555 C CG2 . VAL A 1 70 ? 28.049 35.454 23.071 1.00 8.54 ? 70 VAL A CG2 1 ATOM 556 N N . LEU A 1 71 ? 32.763 35.831 23.090 1.00 12.71 ? 71 LEU A N 1 ATOM 557 C CA . LEU A 1 71 ? 34.145 35.472 23.481 1.00 16.06 ? 71 LEU A CA 1 ATOM 558 C C . LEU A 1 71 ? 34.239 35.353 24.979 1.00 18.09 ? 71 LEU A C 1 ATOM 559 O O . LEU A 1 71 ? 33.707 36.197 25.728 1.00 19.26 ? 71 LEU A O 1 ATOM 560 C CB . LEU A 1 71 ? 35.114 36.564 22.907 1.00 17.10 ? 71 LEU A CB 1 ATOM 561 C CG . LEU A 1 71 ? 35.926 35.979 21.737 1.00 19.37 ? 71 LEU A CG 1 ATOM 562 C CD1 . LEU A 1 71 ? 35.003 35.084 20.920 1.00 17.51 ? 71 LEU A CD1 1 ATOM 563 C CD2 . LEU A 1 71 ? 36.533 37.087 20.917 1.00 19.57 ? 71 LEU A CD2 1 ATOM 564 N N . ARG A 1 72 ? 34.930 34.384 25.451 1.00 21.47 ? 72 ARG A N 1 ATOM 565 C CA . ARG A 1 72 ? 35.161 34.174 26.896 1.00 25.83 ? 72 ARG A CA 1 ATOM 566 C C . ARG A 1 72 ? 36.671 34.296 27.089 1.00 27.74 ? 72 ARG A C 1 ATOM 567 O O . ARG A 1 72 ? 37.305 33.233 26.795 1.00 30.65 ? 72 ARG A O 1 ATOM 568 C CB . ARG A 1 72 ? 34.717 32.760 27.286 1.00 28.49 ? 72 ARG A CB 1 ATOM 569 C CG . ARG A 1 72 ? 35.752 32.054 28.160 1.00 31.79 ? 72 ARG A CG 1 ATOM 570 C CD . ARG A 1 72 ? 35.612 30.577 28.044 1.00 34.05 ? 72 ARG A CD 1 ATOM 571 N NE . ARG A 1 72 ? 35.040 30.252 26.730 1.00 35.08 ? 72 ARG A NE 1 ATOM 572 C CZ . ARG A 1 72 ? 34.338 29.103 26.650 1.00 34.67 ? 72 ARG A CZ 1 ATOM 573 N NH1 . ARG A 1 72 ? 34.110 28.437 27.768 1.00 35.02 ? 72 ARG A NH1 1 ATOM 574 N NH2 . ARG A 1 72 ? 34.014 28.657 25.457 1.00 34.97 ? 72 ARG A NH2 1 ATOM 575 N N . LEU A 1 73 ? 37.197 35.397 27.513 0.45 28.93 ? 73 LEU A N 1 ATOM 576 C CA . LEU A 1 73 ? 38.668 35.502 27.680 0.45 30.76 ? 73 LEU A CA 1 ATOM 577 C C . LEU A 1 73 ? 39.076 34.931 29.031 0.45 32.18 ? 73 LEU A C 1 ATOM 578 O O . LEU A 1 73 ? 38.297 34.946 29.996 0.45 32.31 ? 73 LEU A O 1 ATOM 579 C CB . LEU A 1 73 ? 39.080 36.941 27.406 0.45 30.53 ? 73 LEU A CB 1 ATOM 580 C CG . LEU A 1 73 ? 39.502 37.340 26.002 0.45 30.16 ? 73 LEU A CG 1 ATOM 581 C CD1 . LEU A 1 73 ? 38.684 36.647 24.923 0.45 29.57 ? 73 LEU A CD1 1 ATOM 582 C CD2 . LEU A 1 73 ? 39.337 38.854 25.862 0.45 29.11 ? 73 LEU A CD2 1 ATOM 583 N N . ARG A 1 74 ? 40.294 34.412 29.045 0.45 33.82 ? 74 ARG A N 1 ATOM 584 C CA . ARG A 1 74 ? 40.873 33.802 30.253 0.45 35.33 ? 74 ARG A CA 1 ATOM 585 C C . ARG A 1 74 ? 41.765 34.829 30.944 0.45 36.22 ? 74 ARG A C 1 ATOM 586 O O . ARG A 1 74 ? 42.945 34.994 30.583 0.45 36.70 ? 74 ARG A O 1 ATOM 587 C CB . ARG A 1 74 ? 41.651 32.529 29.923 0.45 36.91 ? 74 ARG A CB 1 ATOM 588 C CG . ARG A 1 74 ? 41.608 31.444 30.989 0.45 38.62 ? 74 ARG A CG 1 ATOM 589 C CD . ARG A 1 74 ? 41.896 30.080 30.456 0.45 39.75 ? 74 ARG A CD 1 ATOM 590 N NE . ARG A 1 74 ? 43.311 29.735 30.563 0.45 41.13 ? 74 ARG A NE 1 ATOM 591 C CZ . ARG A 1 74 ? 44.174 29.905 29.554 0.45 41.91 ? 74 ARG A CZ 1 ATOM 592 N NH1 . ARG A 1 74 ? 43.754 30.312 28.356 0.45 42.75 ? 74 ARG A NH1 1 ATOM 593 N NH2 . ARG A 1 74 ? 45.477 29.726 29.763 0.45 41.93 ? 74 ARG A NH2 1 ATOM 594 N N . GLY A 1 75 ? 41.165 35.531 31.898 0.25 36.31 ? 75 GLY A N 1 ATOM 595 C CA . GLY A 1 75 ? 41.845 36.550 32.686 0.25 36.07 ? 75 GLY A CA 1 ATOM 596 C C . GLY A 1 75 ? 41.251 37.941 32.588 0.25 36.16 ? 75 GLY A C 1 ATOM 597 O O . GLY A 1 75 ? 41.102 38.523 31.500 0.25 36.26 ? 75 GLY A O 1 ATOM 598 N N . GLY A 1 76 ? 40.946 38.472 33.757 0.25 36.05 ? 76 GLY A N 1 ATOM 599 C CA . GLY A 1 76 ? 40.373 39.813 33.944 0.25 36.19 ? 76 GLY A CA 1 ATOM 600 C C . GLY A 1 76 ? 40.031 39.992 35.432 0.25 36.20 ? 76 GLY A C 1 ATOM 601 O O . GLY A 1 76 ? 38.933 40.525 35.687 0.25 36.13 ? 76 GLY A O 1 ATOM 602 O OXT . GLY A 1 76 ? 40.862 39.575 36.251 0.25 36.27 ? 76 GLY A OXT 1 HETATM 603 O O . HOH B 2 . ? 45.747 30.081 19.708 1.00 12.43 ? 77 HOH A O 1 HETATM 604 O O . HOH B 2 . ? 19.168 31.868 17.050 1.00 12.65 ? 78 HOH A O 1 HETATM 605 O O . HOH B 2 . ? 32.010 38.387 19.636 1.00 12.83 ? 79 HOH A O 1 HETATM 606 O O . HOH B 2 . ? 42.084 27.361 21.953 1.00 22.27 ? 80 HOH A O 1 HETATM 607 O O . HOH B 2 . ? 21.314 20.644 8.719 1.00 18.33 ? 81 HOH A O 1 HETATM 608 O O . HOH B 2 . ? 31.965 38.637 3.699 1.00 31.69 ? 82 HOH A O 1 HETATM 609 O O . HOH B 2 . ? 27.707 15.908 4.653 1.00 20.30 ? 83 HOH A O 1 HETATM 610 O O . HOH B 2 . ? 19.969 32.720 14.769 1.00 10.14 ? 84 HOH A O 1 HETATM 611 O O . HOH B 2 . ? 29.847 13.577 10.864 1.00 29.65 ? 85 HOH A O 1 HETATM 612 O O . HOH B 2 . ? 23.893 27.864 1.501 1.00 23.48 ? 86 HOH A O 1 HETATM 613 O O . HOH B 2 . ? 19.638 23.312 4.775 1.00 18.40 ? 87 HOH A O 1 HETATM 614 O O . HOH B 2 . ? 34.628 29.369 4.779 1.00 26.17 ? 88 HOH A O 1 HETATM 615 O O . HOH B 2 . ? 42.240 24.744 25.707 1.00 31.34 ? 89 HOH A O 1 HETATM 616 O O . HOH B 2 . ? 30.290 42.500 8.820 1.00 16.49 ? 90 HOH A O 1 HETATM 617 O O . HOH B 2 . ? 24.512 39.162 10.841 1.00 13.14 ? 91 HOH A O 1 HETATM 618 O O . HOH B 2 . ? 26.557 43.450 19.940 1.00 19.38 ? 92 HOH A O 1 HETATM 619 O O . HOH B 2 . ? 42.535 22.385 13.872 1.00 29.35 ? 93 HOH A O 1 HETATM 620 O O . HOH B 2 . ? 42.440 26.381 12.686 1.00 29.46 ? 94 HOH A O 1 HETATM 621 O O . HOH B 2 . ? 22.651 14.457 13.085 1.00 22.07 ? 95 HOH A O 1 HETATM 622 O O . HOH B 2 . ? 35.325 26.551 23.202 1.00 15.20 ? 96 HOH A O 1 HETATM 623 O O . HOH B 2 . ? 23.629 20.940 3.146 1.00 15.45 ? 97 HOH A O 1 HETATM 624 O O . HOH B 2 . ? 25.928 21.774 2.325 1.00 13.70 ? 98 HOH A O 1 HETATM 625 O O . HOH B 2 . ? 33.388 21.973 5.659 1.00 24.89 ? 99 HOH A O 1 HETATM 626 O O . HOH B 2 . ? 18.326 23.911 17.697 1.00 24.10 ? 100 HOH A O 1 HETATM 627 O O . HOH B 2 . ? 18.160 27.072 10.662 1.00 20.76 ? 101 HOH A O 1 HETATM 628 O O . HOH B 2 . ? 34.746 17.167 18.219 1.00 32.86 ? 102 HOH A O 1 HETATM 629 O O . HOH B 2 . ? 19.801 32.364 20.210 1.00 21.09 ? 103 HOH A O 1 HETATM 630 O O . HOH B 2 . ? 30.285 26.829 22.191 1.00 8.56 ? 104 HOH A O 1 HETATM 631 O O . HOH B 2 . ? 44.612 32.306 16.961 1.00 7.69 ? 105 HOH A O 1 HETATM 632 O O . HOH B 2 . ? 16.287 25.999 13.142 0.78 28.90 ? 106 HOH A O 1 HETATM 633 O O . HOH B 2 . ? 27.101 42.135 15.494 0.51 23.36 ? 107 HOH A O 1 HETATM 634 O O . HOH B 2 . ? 37.209 23.795 21.367 0.74 27.88 ? 108 HOH A O 1 HETATM 635 O O . HOH B 2 . ? 19.582 32.034 -0.685 0.49 22.24 ? 109 HOH A O 1 HETATM 636 O O . HOH B 2 . ? 28.824 25.094 0.886 0.77 36.99 ? 110 HOH A O 1 HETATM 637 O O . HOH B 2 . ? 25.146 19.162 25.323 0.87 36.70 ? 111 HOH A O 1 HETATM 638 O O . HOH B 2 . ? 20.747 37.769 14.674 0.85 29.64 ? 112 HOH A O 1 HETATM 639 O O . HOH B 2 . ? 16.035 17.841 8.765 0.61 23.89 ? 113 HOH A O 1 HETATM 640 O O . HOH B 2 . ? 35.712 46.814 12.926 0.48 27.11 ? 114 HOH A O 1 HETATM 641 O O . HOH B 2 . ? 15.570 27.475 7.482 0.51 24.18 ? 115 HOH A O 1 HETATM 642 O O . HOH B 2 . ? 33.447 21.075 2.918 0.59 26.03 ? 116 HOH A O 1 HETATM 643 O O . HOH B 2 . ? 41.116 39.021 13.061 0.63 22.39 ? 117 HOH A O 1 HETATM 644 O O . HOH B 2 . ? 32.346 13.689 18.912 0.48 24.09 ? 118 HOH A O 1 HETATM 645 O O . HOH B 2 . ? 31.197 13.048 7.920 0.71 29.54 ? 119 HOH A O 1 HETATM 646 O O . HOH B 2 . ? 42.853 39.375 29.308 0.64 46.90 ? 120 HOH A O 1 HETATM 647 O O . HOH B 2 . ? 39.646 23.959 9.699 0.41 18.25 ? 121 HOH A O 1 HETATM 648 O O . HOH B 2 . ? 34.405 45.181 13.420 0.87 26.13 ? 122 HOH A O 1 HETATM 649 O O . HOH B 2 . ? 26.517 24.300 27.592 0.41 21.02 ? 123 HOH A O 1 HETATM 650 O O . HOH B 2 . ? 40.740 38.734 9.602 0.45 16.60 ? 124 HOH A O 1 HETATM 651 O O . HOH B 2 . ? 31.494 18.276 23.170 0.67 26.53 ? 125 HOH A O 1 HETATM 652 O O . HOH B 2 . ? 37.752 30.947 1.059 0.87 32.52 ? 126 HOH A O 1 HETATM 653 O O . HOH B 2 . ? 31.771 16.941 7.511 0.64 15.94 ? 127 HOH A O 1 HETATM 654 O O . HOH B 2 . ? 41.628 24.537 10.145 0.57 22.53 ? 128 HOH A O 1 HETATM 655 O O . HOH B 2 . ? 28.988 22.175 -1.744 0.56 29.32 ? 129 HOH A O 1 HETATM 656 O O . HOH B 2 . ? 14.882 16.539 10.692 0.53 24.82 ? 130 HOH A O 1 HETATM 657 O O . HOH B 2 . ? 32.589 40.385 7.523 0.36 26.01 ? 131 HOH A O 1 HETATM 658 O O . HOH B 2 . ? 38.363 30.369 5.579 0.49 35.45 ? 132 HOH A O 1 HETATM 659 O O . HOH B 2 . ? 27.841 46.062 17.589 0.81 32.15 ? 133 HOH A O 1 HETATM 660 O O . HOH B 2 . ? 37.667 43.421 17.000 0.50 33.32 ? 134 HOH A O 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 MET 1 1 1 MET MET A . n A 1 2 GLN 2 2 2 GLN GLN A . n A 1 3 ILE 3 3 3 ILE ILE A . n A 1 4 PHE 4 4 4 PHE PHE A . n A 1 5 VAL 5 5 5 VAL VAL A . n A 1 6 LYS 6 6 6 LYS LYS A . n A 1 7 THR 7 7 7 THR THR A . n A 1 8 LEU 8 8 8 LEU LEU A . n A 1 9 THR 9 9 9 THR THR A . n A 1 10 GLY 10 10 10 GLY GLY A . n A 1 11 LYS 11 11 11 LYS LYS A . n A 1 12 THR 12 12 12 THR THR A . n A 1 13 ILE 13 13 13 ILE ILE A . n A 1 14 THR 14 14 14 THR THR A . n A 1 15 LEU 15 15 15 LEU LEU A . n A 1 16 GLU 16 16 16 GLU GLU A . n A 1 17 VAL 17 17 17 VAL VAL A . n A 1 18 GLU 18 18 18 GLU GLU A . n A 1 19 PRO 19 19 19 PRO PRO A . n A 1 20 SER 20 20 20 SER SER A . n A 1 21 ASP 21 21 21 ASP ASP A . n A 1 22 THR 22 22 22 THR THR A . n A 1 23 ILE 23 23 23 ILE ILE A . n A 1 24 GLU 24 24 24 GLU GLU A . n A 1 25 ASN 25 25 25 ASN ASN A . n A 1 26 VAL 26 26 26 VAL VAL A . n A 1 27 LYS 27 27 27 LYS LYS A . n A 1 28 ALA 28 28 28 ALA ALA A . n A 1 29 LYS 29 29 29 LYS LYS A . n A 1 30 ILE 30 30 30 ILE ILE A . n A 1 31 GLN 31 31 31 GLN GLN A . n A 1 32 ASP 32 32 32 ASP ASP A . n A 1 33 LYS 33 33 33 LYS LYS A . n A 1 34 GLU 34 34 34 GLU GLU A . n A 1 35 GLY 35 35 35 GLY GLY A . n A 1 36 ILE 36 36 36 ILE ILE A . n A 1 37 PRO 37 37 37 PRO PRO A . n A 1 38 PRO 38 38 38 PRO PRO A . n A 1 39 ASP 39 39 39 ASP ASP A . n A 1 40 GLN 40 40 40 GLN GLN A . n A 1 41 GLN 41 41 41 GLN GLN A . n A 1 42 ARG 42 42 42 ARG ARG A . n A 1 43 LEU 43 43 43 LEU LEU A . n A 1 44 ILE 44 44 44 ILE ILE A . n A 1 45 PHE 45 45 45 PHE PHE A . n A 1 46 ALA 46 46 46 ALA ALA A . n A 1 47 GLY 47 47 47 GLY GLY A . n A 1 48 LYS 48 48 48 LYS LYS A . n A 1 49 GLN 49 49 49 GLN GLN A . n A 1 50 LEU 50 50 50 LEU LEU A . n A 1 51 GLU 51 51 51 GLU GLU A . n A 1 52 ASP 52 52 52 ASP ASP A . n A 1 53 GLY 53 53 53 GLY GLY A . n A 1 54 ARG 54 54 54 ARG ARG A . n A 1 55 THR 55 55 55 THR THR A . n A 1 56 LEU 56 56 56 LEU LEU A . n A 1 57 SER 57 57 57 SER SER A . n A 1 58 ASP 58 58 58 ASP ASP A . n A 1 59 TYR 59 59 59 TYR TYR A . n A 1 60 ASN 60 60 60 ASN ASN A . n A 1 61 ILE 61 61 61 ILE ILE A . n A 1 62 GLN 62 62 62 GLN GLN A . n A 1 63 LYS 63 63 63 LYS LYS A . n A 1 64 GLU 64 64 64 GLU GLU A . n A 1 65 SER 65 65 65 SER SER A . n A 1 66 THR 66 66 66 THR THR A . n A 1 67 LEU 67 67 67 LEU LEU A . n A 1 68 HIS 68 68 68 HIS HIS A . n A 1 69 LEU 69 69 69 LEU LEU A . n A 1 70 VAL 70 70 70 VAL VAL A . n A 1 71 LEU 71 71 71 LEU LEU A . n A 1 72 ARG 72 72 72 ARG ARG A . n A 1 73 LEU 73 73 73 LEU LEU A . n A 1 74 ARG 74 74 74 ARG ARG A . n A 1 75 GLY 75 75 75 GLY GLY A . n A 1 76 GLY 76 76 76 GLY GLY A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 HOH 1 77 1 HOH HOH A . B 2 HOH 2 78 2 HOH HOH A . B 2 HOH 3 79 3 HOH HOH A . B 2 HOH 4 80 4 HOH HOH A . B 2 HOH 5 81 5 HOH HOH A . B 2 HOH 6 82 6 HOH HOH A . B 2 HOH 7 83 7 HOH HOH A . B 2 HOH 8 84 8 HOH HOH A . B 2 HOH 9 85 9 HOH HOH A . B 2 HOH 10 86 10 HOH HOH A . B 2 HOH 11 87 11 HOH HOH A . B 2 HOH 12 88 12 HOH HOH A . B 2 HOH 13 89 13 HOH HOH A . B 2 HOH 14 90 14 HOH HOH A . B 2 HOH 15 91 15 HOH HOH A . B 2 HOH 16 92 16 HOH HOH A . B 2 HOH 17 93 17 HOH HOH A . B 2 HOH 18 94 18 HOH HOH A . B 2 HOH 19 95 19 HOH HOH A . B 2 HOH 20 96 20 HOH HOH A . B 2 HOH 21 97 21 HOH HOH A . B 2 HOH 22 98 22 HOH HOH A . B 2 HOH 23 99 23 HOH HOH A . B 2 HOH 24 100 24 HOH HOH A . B 2 HOH 25 101 25 HOH HOH A . B 2 HOH 26 102 26 HOH HOH A . B 2 HOH 27 103 27 HOH HOH A . B 2 HOH 28 104 28 HOH HOH A . B 2 HOH 29 105 29 HOH HOH A . B 2 HOH 30 106 30 HOH HOH A . B 2 HOH 31 107 31 HOH HOH A . B 2 HOH 32 108 32 HOH HOH A . B 2 HOH 33 109 33 HOH HOH A . B 2 HOH 34 110 34 HOH HOH A . B 2 HOH 35 111 35 HOH HOH A . B 2 HOH 36 112 36 HOH HOH A . B 2 HOH 37 113 37 HOH HOH A . B 2 HOH 38 114 38 HOH HOH A . B 2 HOH 39 115 39 HOH HOH A . B 2 HOH 40 116 40 HOH HOH A . B 2 HOH 41 117 41 HOH HOH A . B 2 HOH 42 118 42 HOH HOH A . B 2 HOH 43 119 43 HOH HOH A . B 2 HOH 44 120 44 HOH HOH A . B 2 HOH 45 121 45 HOH HOH A . B 2 HOH 46 122 46 HOH HOH A . B 2 HOH 47 123 47 HOH HOH A . B 2 HOH 48 124 48 HOH HOH A . B 2 HOH 49 125 49 HOH HOH A . B 2 HOH 50 126 50 HOH HOH A . B 2 HOH 51 127 51 HOH HOH A . B 2 HOH 52 128 52 HOH HOH A . B 2 HOH 53 129 53 HOH HOH A . B 2 HOH 54 130 54 HOH HOH A . B 2 HOH 55 131 55 HOH HOH A . B 2 HOH 56 132 56 HOH HOH A . B 2 HOH 57 133 57 HOH HOH A . B 2 HOH 58 134 58 HOH HOH A . # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_defined_assembly _pdbx_struct_assembly.method_details ? _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_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 1987-04-16 2 'Structure model' 1 1 2008-03-24 3 'Structure model' 1 2 2011-07-13 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Version format compliance' 2 3 'Structure model' 'Version format compliance' # _software.name PROLSQ _software.classification refinement _software.version . _software.citation_id ? _software.pdbx_ordinal 1 # loop_ _pdbx_validate_symm_contact.id _pdbx_validate_symm_contact.PDB_model_num _pdbx_validate_symm_contact.auth_atom_id_1 _pdbx_validate_symm_contact.auth_asym_id_1 _pdbx_validate_symm_contact.auth_comp_id_1 _pdbx_validate_symm_contact.auth_seq_id_1 _pdbx_validate_symm_contact.PDB_ins_code_1 _pdbx_validate_symm_contact.label_alt_id_1 _pdbx_validate_symm_contact.site_symmetry_1 _pdbx_validate_symm_contact.auth_atom_id_2 _pdbx_validate_symm_contact.auth_asym_id_2 _pdbx_validate_symm_contact.auth_comp_id_2 _pdbx_validate_symm_contact.auth_seq_id_2 _pdbx_validate_symm_contact.PDB_ins_code_2 _pdbx_validate_symm_contact.label_alt_id_2 _pdbx_validate_symm_contact.site_symmetry_2 _pdbx_validate_symm_contact.dist 1 1 OE2 A GLU 16 ? ? 1_555 NH1 A ARG 72 ? ? 1_554 2.02 2 1 NZ A LYS 48 ? ? 1_555 OXT A GLY 76 ? ? 4_467 2.16 # 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 CA A LEU 15 ? ? CB A LEU 15 ? ? CG A LEU 15 ? ? 129.31 115.30 14.01 2.30 N 2 1 CD A ARG 54 ? ? NE A ARG 54 ? ? CZ A ARG 54 ? ? 135.97 123.60 12.37 1.40 N 3 1 NE A ARG 54 ? ? CZ A ARG 54 ? ? NH1 A ARG 54 ? ? 125.77 120.30 5.47 0.50 N # _pdbx_entity_nonpoly.entity_id 2 _pdbx_entity_nonpoly.name water _pdbx_entity_nonpoly.comp_id HOH #