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*** ***elNémo ID: 2602031618031392024Job options:ID = 2602031618031392024 JOBID = USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:data_2IN0 # _entry.id 2IN0 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.377 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code _database_2.pdbx_database_accession _database_2.pdbx_DOI PDB 2IN0 pdb_00002in0 10.2210/pdb2in0/pdb RCSB RCSB039768 ? ? WWPDB D_1000039768 ? ? # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 2imz . unspecified PDB 2in8 . unspecified PDB 2in9 . unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 2IN0 _pdbx_database_status.recvd_initial_deposition_date 2006-10-05 _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.pdb_format_compatible Y _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.status_code_nmr_data ? # _audit_author.name 'Van Roey, P.' _audit_author.pdbx_ordinal 1 # _citation.id primary _citation.title ;Crystallographic and mutational studies of Mycobacterium tuberculosis recA mini-inteins suggest a pivotal role for a highly conserved aspartate residue. ; _citation.journal_abbrev J.Mol.Biol. _citation.journal_volume 367 _citation.page_first 162 _citation.page_last 173 _citation.year 2007 _citation.journal_id_ASTM JMOBAK _citation.country UK _citation.journal_id_ISSN 0022-2836 _citation.journal_id_CSD 0070 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 17254599 _citation.pdbx_database_id_DOI 10.1016/j.jmb.2006.12.050 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal _citation_author.identifier_ORCID primary 'Van Roey, P.' 1 ? primary 'Pereira, B.' 2 ? primary 'Li, Z.' 3 ? primary 'Hiraga, K.' 4 ? primary 'Belfort, M.' 5 ? primary 'Derbyshire, V.' 6 ? # _cell.entry_id 2IN0 _cell.length_a 36.840 _cell.length_b 47.460 _cell.length_c 64.630 _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 2IN0 _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 'Endonuclease PI-MtuI' 15423.512 1 3.1.-.- 'delta 103-403,Q95V,P96R,R97D,R98V,F99E,D100T,F102E,V67L' 'splcing domain' ? 2 water nat water 18.015 112 ? ? ? ? # _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 ;CLAEGTRIFDPVTGTTHRIEDVVDGRKPIHVVAAAKDGTLHARPVVSWFDQGTRDVIGLRIAGGAILWATPDHKVLTEYG WRAAGELRKGDRVAVRDVETGELRYSVIREVLPTRRARTFDLEVEELHTLVAEGVVVHN ; _entity_poly.pdbx_seq_one_letter_code_can ;CLAEGTRIFDPVTGTTHRIEDVVDGRKPIHVVAAAKDGTLHARPVVSWFDQGTRDVIGLRIAGGAILWATPDHKVLTEYG WRAAGELRKGDRVAVRDVETGELRYSVIREVLPTRRARTFDLEVEELHTLVAEGVVVHN ; _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 CYS n 1 2 LEU n 1 3 ALA n 1 4 GLU n 1 5 GLY n 1 6 THR n 1 7 ARG n 1 8 ILE n 1 9 PHE n 1 10 ASP n 1 11 PRO n 1 12 VAL n 1 13 THR n 1 14 GLY n 1 15 THR n 1 16 THR n 1 17 HIS n 1 18 ARG n 1 19 ILE n 1 20 GLU n 1 21 ASP n 1 22 VAL n 1 23 VAL n 1 24 ASP n 1 25 GLY n 1 26 ARG n 1 27 LYS n 1 28 PRO n 1 29 ILE n 1 30 HIS n 1 31 VAL n 1 32 VAL n 1 33 ALA n 1 34 ALA n 1 35 ALA n 1 36 LYS n 1 37 ASP n 1 38 GLY n 1 39 THR n 1 40 LEU n 1 41 HIS n 1 42 ALA n 1 43 ARG n 1 44 PRO n 1 45 VAL n 1 46 VAL n 1 47 SER n 1 48 TRP n 1 49 PHE n 1 50 ASP n 1 51 GLN n 1 52 GLY n 1 53 THR n 1 54 ARG n 1 55 ASP n 1 56 VAL n 1 57 ILE n 1 58 GLY n 1 59 LEU n 1 60 ARG n 1 61 ILE n 1 62 ALA n 1 63 GLY n 1 64 GLY n 1 65 ALA n 1 66 ILE n 1 67 LEU n 1 68 TRP n 1 69 ALA n 1 70 THR n 1 71 PRO n 1 72 ASP n 1 73 HIS n 1 74 LYS n 1 75 VAL n 1 76 LEU n 1 77 THR n 1 78 GLU n 1 79 TYR n 1 80 GLY n 1 81 TRP n 1 82 ARG n 1 83 ALA n 1 84 ALA n 1 85 GLY n 1 86 GLU n 1 87 LEU n 1 88 ARG n 1 89 LYS n 1 90 GLY n 1 91 ASP n 1 92 ARG n 1 93 VAL n 1 94 ALA n 1 95 VAL n 1 96 ARG n 1 97 ASP n 1 98 VAL n 1 99 GLU n 1 100 THR n 1 101 GLY n 1 102 GLU n 1 103 LEU n 1 104 ARG n 1 105 TYR n 1 106 SER n 1 107 VAL n 1 108 ILE n 1 109 ARG n 1 110 GLU n 1 111 VAL n 1 112 LEU n 1 113 PRO n 1 114 THR n 1 115 ARG n 1 116 ARG n 1 117 ALA n 1 118 ARG n 1 119 THR n 1 120 PHE n 1 121 ASP n 1 122 LEU n 1 123 GLU n 1 124 VAL n 1 125 GLU n 1 126 GLU n 1 127 LEU n 1 128 HIS n 1 129 THR n 1 130 LEU n 1 131 VAL n 1 132 ALA n 1 133 GLU n 1 134 GLY n 1 135 VAL n 1 136 VAL n 1 137 VAL n 1 138 HIS n 1 139 ASN n # loop_ _entity_src_gen.entity_id _entity_src_gen.pdbx_src_id _entity_src_gen.pdbx_alt_source_flag _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 _entity_src_gen.gene_src_genus _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 _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id _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 1 1 sample ? 1 102 ? Mycobacterium recA ? ? ? ? ? ? 'Mycobacterium tuberculosis' 1773 ? ? ? ? ? ? ? ? 'Escherichia coli' 562 Escherichia ? ? ? ? ? JM101 ? ? ? ? ? ? ? plasmid pX ? ? ? ? ? 1 2 sample ? 103 139 ? Mycobacterium recA ? ? ? ? ? ? 'Mycobacterium tuberculosis' 1773 ? ? ? ? ? ? ? ? 'Escherichia coli' 562 Escherichia ? ? ? ? ? JM101 ? ? ? ? ? ? ? plasmid pX ? ? ? ? ? # 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 RECA_MYCTU P0A5U4 1 ;CLAEGTRIFDPVTGTTHRIEDVVDGRKPIHVVAAAKDGTLHARPVVSWFDQGTRDVIGLRIAGGAIVWATPDHKVLTEYG WRAAGELRKGDRVAQPRRFDGF ; 252 ? 2 UNP RECA_MYCTU P0A5U4 1 LRYSVIREVLPTRRARTFDLEVEELHTLVAEGVVVHN 655 ? # 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 2IN0 A 1 ? 102 ? P0A5U4 252 ? 353 ? 1 102 2 2 2IN0 A 103 ? 139 ? P0A5U4 655 ? 691 ? 404 440 # 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 2IN0 LEU A 67 ? UNP P0A5U4 VAL 318 'engineered mutation' 67 1 1 2IN0 VAL A 95 ? UNP P0A5U4 GLN 346 'engineered mutation' 95 2 1 2IN0 ARG A 96 ? UNP P0A5U4 PRO 347 'engineered mutation' 96 3 1 2IN0 ASP A 97 ? UNP P0A5U4 ARG 348 'engineered mutation' 97 4 1 2IN0 VAL A 98 ? UNP P0A5U4 ARG 349 'engineered mutation' 98 5 1 2IN0 GLU A 99 ? UNP P0A5U4 PHE 350 'engineered mutation' 99 6 1 2IN0 THR A 100 ? UNP P0A5U4 ASP 351 'engineered mutation' 100 7 1 2IN0 GLU A 102 ? UNP P0A5U4 PHE 353 'engineered mutation' 102 8 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 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 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 2IN0 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 1.83 _exptl_crystal.density_percent_sol 32.82 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method ? _exptl_crystal_grow.temp ? _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH ? _exptl_crystal_grow.pdbx_details '6-8% PEG8000, 0.1M Tris.HCl pH 8.5, 5% PEG400' _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector 'IMAGE PLATE' _diffrn_detector.type 'RIGAKU RAXIS IV' _diffrn_detector.pdbx_collection_date 2005-01-01 _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 'osmic mirrors' _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.5418 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source 'ROTATING ANODE' _diffrn_source.type OTHER _diffrn_source.pdbx_synchrotron_site ? _diffrn_source.pdbx_synchrotron_beamline ? _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 1.5418 # _reflns.entry_id 2IN0 _reflns.observed_criterion_sigma_I 0 _reflns.observed_criterion_sigma_F 0 _reflns.d_resolution_low 29. _reflns.d_resolution_high 1.6 _reflns.number_obs 15495 _reflns.number_all 15495 _reflns.percent_possible_obs 99.1 _reflns.pdbx_Rmerge_I_obs 0.087 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 7.1 _reflns.B_iso_Wilson_estimate 27.1 _reflns.pdbx_redundancy 4.1 _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_diffrn_id 1 _reflns.pdbx_ordinal 1 # _reflns_shell.d_res_high 1.6 _reflns_shell.d_res_low 1.65 _reflns_shell.percent_possible_all 92.5 _reflns_shell.Rmerge_I_obs 0.489 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 2.1 _reflns_shell.pdbx_redundancy 3.4 _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_diffrn_id ? _reflns_shell.pdbx_ordinal 1 # _refine.entry_id 2IN0 _refine.ls_number_reflns_obs 15439 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 0.0 _refine.pdbx_data_cutoff_high_absF 870647.45 _refine.pdbx_data_cutoff_low_absF 0.000000 _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 29.10 _refine.ls_d_res_high 1.60 _refine.ls_percent_reflns_obs 99.3 _refine.ls_R_factor_obs 0.245 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.245 _refine.ls_R_factor_R_free 0.275 _refine.ls_R_factor_R_free_error 0.007 _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 10.1 _refine.ls_number_reflns_R_free 1554 _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 24.5 _refine.aniso_B[1][1] -3.54 _refine.aniso_B[2][2] 9.34 _refine.aniso_B[3][3] -5.80 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] 0.00 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details 'FLAT MODEL' _refine.solvent_model_param_ksol 0.368155 _refine.solvent_model_param_bsol 47.9022 _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details ? _refine.pdbx_starting_model 'PDB entry 2IMZ' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model RESTRAINED _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML ? _refine.overall_SU_B ? _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _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_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_phase_error ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_analyze.entry_id 2IN0 _refine_analyze.Luzzati_coordinate_error_obs 0.28 _refine_analyze.Luzzati_sigma_a_obs 0.54 _refine_analyze.Luzzati_d_res_low_obs 5.00 _refine_analyze.Luzzati_coordinate_error_free 0.33 _refine_analyze.Luzzati_sigma_a_free 0.60 _refine_analyze.Luzzati_d_res_low_free ? _refine_analyze.number_disordered_residues ? _refine_analyze.occupancy_sum_hydrogen ? _refine_analyze.occupancy_sum_non_hydrogen ? _refine_analyze.pdbx_Luzzati_d_res_high_obs ? _refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 1088 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 0 _refine_hist.number_atoms_solvent 112 _refine_hist.number_atoms_total 1200 _refine_hist.d_res_high 1.60 _refine_hist.d_res_low 29.10 # 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 c_bond_d 0.005 ? ? ? 'X-RAY DIFFRACTION' ? c_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? c_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? c_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ? c_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? c_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? c_angle_deg 1.3 ? ? ? 'X-RAY DIFFRACTION' ? c_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' ? c_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' ? c_dihedral_angle_d 25.0 ? ? ? 'X-RAY DIFFRACTION' ? c_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? c_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? c_improper_angle_d 0.69 ? ? ? 'X-RAY DIFFRACTION' ? c_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? c_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? c_mcbond_it 1.29 1.50 ? ? 'X-RAY DIFFRACTION' ? c_mcangle_it 1.99 2.00 ? ? 'X-RAY DIFFRACTION' ? c_scbond_it 1.93 2.00 ? ? 'X-RAY DIFFRACTION' ? c_scangle_it 2.85 2.50 ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_total_number_of_bins_used 6 _refine_ls_shell.d_res_high 1.60 _refine_ls_shell.d_res_low 1.70 _refine_ls_shell.number_reflns_R_work 2236 _refine_ls_shell.R_factor_R_work 0.463 _refine_ls_shell.percent_reflns_obs 97.4 _refine_ls_shell.R_factor_R_free 0.485 _refine_ls_shell.R_factor_R_free_error 0.031 _refine_ls_shell.percent_reflns_R_free 9.8 _refine_ls_shell.number_reflns_R_free 243 _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 'X-RAY DIFFRACTION' # loop_ _pdbx_xplor_file.serial_no _pdbx_xplor_file.param_file _pdbx_xplor_file.topol_file _pdbx_xplor_file.pdbx_refine_id 1 protein_rep.param protein.top 'X-RAY DIFFRACTION' 2 water_rep.param water.top 'X-RAY DIFFRACTION' 3 ion.param ion.top 'X-RAY DIFFRACTION' # _struct.entry_id 2IN0 _struct.title 'crystal structure of Mtu recA intein splicing domain' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 2IN0 _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text HYDROLASE # 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 ? # 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 ILE A 19 ? GLY A 25 ? ILE A 19 GLY A 25 1 ? 7 HELX_P HELX_P2 2 GLY A 85 ? LEU A 87 ? GLY A 85 LEU A 87 5 ? 3 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 6 ? B ? 4 ? C ? 2 ? D ? 2 ? E ? 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 A 2 3 ? anti-parallel A 3 4 ? anti-parallel A 4 5 ? anti-parallel A 5 6 ? anti-parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel C 1 2 ? anti-parallel D 1 2 ? anti-parallel E 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 HIS A 30 ? ALA A 34 ? HIS A 30 ALA A 34 A 2 LEU A 40 ? ILE A 61 ? LEU A 40 ILE A 61 A 3 ILE A 66 ? ALA A 69 ? ILE A 66 ALA A 69 A 4 LEU A 2 ? ALA A 3 ? LEU A 2 ALA A 3 A 5 LEU A 103 ? VAL A 124 ? LEU A 404 VAL A 425 A 6 ARG A 92 ? ARG A 96 ? ARG A 92 ARG A 96 B 1 HIS A 30 ? ALA A 34 ? HIS A 30 ALA A 34 B 2 LEU A 40 ? ILE A 61 ? LEU A 40 ILE A 61 B 3 LEU A 103 ? VAL A 124 ? LEU A 404 VAL A 425 B 4 ARG A 92 ? ARG A 96 ? ARG A 92 ARG A 96 C 1 ARG A 7 ? PHE A 9 ? ARG A 7 PHE A 9 C 2 THR A 16 ? ARG A 18 ? THR A 16 ARG A 18 D 1 LYS A 74 ? THR A 77 ? LYS A 74 THR A 77 D 2 GLY A 80 ? ALA A 83 ? GLY A 80 ALA A 83 E 1 THR A 129 ? ALA A 132 ? THR A 430 ALA A 433 E 2 VAL A 135 ? HIS A 138 ? VAL A 436 HIS A 439 # 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 ALA A 33 ? N ALA A 33 O HIS A 41 ? O HIS A 41 A 2 3 N ILE A 57 ? N ILE A 57 O ALA A 69 ? O ALA A 69 A 3 4 O TRP A 68 ? O TRP A 68 N ALA A 3 ? N ALA A 3 A 4 5 N LEU A 2 ? N LEU A 2 O PHE A 120 ? O PHE A 421 A 5 6 O ARG A 104 ? O ARG A 405 N VAL A 95 ? N VAL A 95 B 1 2 N ALA A 33 ? N ALA A 33 O HIS A 41 ? O HIS A 41 B 2 3 N GLY A 58 ? N GLY A 58 O LEU A 112 ? O LEU A 413 B 3 4 O ARG A 104 ? O ARG A 405 N VAL A 95 ? N VAL A 95 C 1 2 N ILE A 8 ? N ILE A 8 O HIS A 17 ? O HIS A 17 D 1 2 N VAL A 75 ? N VAL A 75 O ARG A 82 ? O ARG A 82 E 1 2 N ALA A 132 ? N ALA A 433 O VAL A 135 ? O VAL A 436 # _database_PDB_matrix.entry_id 2IN0 _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 2IN0 _atom_sites.fract_transf_matrix[1][1] 0.027144 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.021070 _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] 0.015473 _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 . CYS A 1 1 ? -4.666 -5.284 17.167 1.00 17.01 ? 1 CYS A N 1 ATOM 2 C CA . CYS A 1 1 ? -4.495 -4.307 16.056 1.00 17.88 ? 1 CYS A CA 1 ATOM 3 C C . CYS A 1 1 ? -4.561 -2.873 16.586 1.00 17.10 ? 1 CYS A C 1 ATOM 4 O O . CYS A 1 1 ? -5.165 -2.612 17.628 1.00 17.40 ? 1 CYS A O 1 ATOM 5 C CB . CYS A 1 1 ? -5.576 -4.528 14.995 1.00 18.69 ? 1 CYS A CB 1 ATOM 6 S SG . CYS A 1 1 ? -5.702 -6.257 14.451 1.00 26.09 ? 1 CYS A SG 1 ATOM 7 N N . LEU A 1 2 ? -3.928 -1.955 15.859 1.00 18.42 ? 2 LEU A N 1 ATOM 8 C CA . LEU A 1 2 ? -3.889 -0.545 16.234 1.00 18.76 ? 2 LEU A CA 1 ATOM 9 C C . LEU A 1 2 ? -4.775 0.272 15.314 1.00 20.52 ? 2 LEU A C 1 ATOM 10 O O . LEU A 1 2 ? -4.851 0.007 14.113 1.00 20.85 ? 2 LEU A O 1 ATOM 11 C CB . LEU A 1 2 ? -2.456 -0.021 16.156 1.00 19.03 ? 2 LEU A CB 1 ATOM 12 C CG . LEU A 1 2 ? -1.469 -0.708 17.096 1.00 19.61 ? 2 LEU A CG 1 ATOM 13 C CD1 . LEU A 1 2 ? -0.049 -0.343 16.698 1.00 18.79 ? 2 LEU A CD1 1 ATOM 14 C CD2 . LEU A 1 2 ? -1.763 -0.317 18.534 1.00 19.19 ? 2 LEU A CD2 1 ATOM 15 N N . ALA A 1 3 ? -5.424 1.284 15.879 1.00 20.79 ? 3 ALA A N 1 ATOM 16 C CA . ALA A 1 3 ? -6.332 2.136 15.123 1.00 20.97 ? 3 ALA A CA 1 ATOM 17 C C . ALA A 1 3 ? -5.679 3.140 14.195 1.00 21.20 ? 3 ALA A C 1 ATOM 18 O O . ALA A 1 3 ? -4.529 3.546 14.376 1.00 17.71 ? 3 ALA A O 1 ATOM 19 C CB . ALA A 1 3 ? -7.259 2.878 16.081 1.00 21.07 ? 3 ALA A CB 1 ATOM 20 N N . GLU A 1 4 ? -6.445 3.527 13.183 1.00 19.98 ? 4 GLU A N 1 ATOM 21 C CA . GLU A 1 4 ? -6.011 4.528 12.237 1.00 21.50 ? 4 GLU A CA 1 ATOM 22 C C . GLU A 1 4 ? -5.778 5.756 13.121 1.00 19.63 ? 4 GLU A C 1 ATOM 23 O O . GLU A 1 4 ? -6.549 6.011 14.047 1.00 20.25 ? 4 GLU A O 1 ATOM 24 C CB . GLU A 1 4 ? -7.129 4.774 11.216 1.00 22.26 ? 4 GLU A CB 1 ATOM 25 C CG . GLU A 1 4 ? -7.043 6.093 10.450 1.00 25.66 ? 4 GLU A CG 1 ATOM 26 C CD . GLU A 1 4 ? -8.074 6.177 9.328 1.00 29.48 ? 4 GLU A CD 1 ATOM 27 O OE1 . GLU A 1 4 ? -9.195 5.651 9.504 1.00 27.53 ? 4 GLU A OE1 1 ATOM 28 O OE2 . GLU A 1 4 ? -7.765 6.775 8.274 1.00 33.15 ? 4 GLU A OE2 1 ATOM 29 N N . GLY A 1 5 ? -4.710 6.497 12.856 1.00 19.51 ? 5 GLY A N 1 ATOM 30 C CA . GLY A 1 5 ? -4.416 7.668 13.663 1.00 19.31 ? 5 GLY A CA 1 ATOM 31 C C . GLY A 1 5 ? -3.319 7.413 14.687 1.00 19.65 ? 5 GLY A C 1 ATOM 32 O O . GLY A 1 5 ? -2.702 8.354 15.190 1.00 20.50 ? 5 GLY A O 1 ATOM 33 N N . THR A 1 6 ? -3.067 6.144 15.001 1.00 19.33 ? 6 THR A N 1 ATOM 34 C CA . THR A 1 6 ? -2.026 5.796 15.965 1.00 18.77 ? 6 THR A CA 1 ATOM 35 C C . THR A 1 6 ? -0.680 6.290 15.429 1.00 19.00 ? 6 THR A C 1 ATOM 36 O O . THR A 1 6 ? -0.290 5.968 14.305 1.00 19.13 ? 6 THR A O 1 ATOM 37 C CB . THR A 1 6 ? -1.947 4.259 16.189 1.00 17.48 ? 6 THR A CB 1 ATOM 38 O OG1 . THR A 1 6 ? -3.216 3.769 16.642 1.00 17.20 ? 6 THR A OG1 1 ATOM 39 C CG2 . THR A 1 6 ? -0.889 3.926 17.239 1.00 15.82 ? 6 THR A CG2 1 ATOM 40 N N . ARG A 1 7 ? 0.026 7.076 16.232 1.00 19.12 ? 7 ARG A N 1 ATOM 41 C CA . ARG A 1 7 ? 1.315 7.612 15.816 1.00 19.92 ? 7 ARG A CA 1 ATOM 42 C C . ARG A 1 7 ? 2.495 6.738 16.230 1.00 19.18 ? 7 ARG A C 1 ATOM 43 O O . ARG A 1 7 ? 2.569 6.254 17.361 1.00 18.31 ? 7 ARG A O 1 ATOM 44 C CB . ARG A 1 7 ? 1.488 9.031 16.357 1.00 22.54 ? 7 ARG A CB 1 ATOM 45 C CG . ARG A 1 7 ? 0.592 10.046 15.662 1.00 27.77 ? 7 ARG A CG 1 ATOM 46 C CD . ARG A 1 7 ? 0.855 11.443 16.188 1.00 32.34 ? 7 ARG A CD 1 ATOM 47 N NE . ARG A 1 7 ? 0.302 11.658 17.525 1.00 35.20 ? 7 ARG A NE 1 ATOM 48 C CZ . ARG A 1 7 ? -0.958 12.002 17.767 1.00 35.76 ? 7 ARG A CZ 1 ATOM 49 N NH1 . ARG A 1 7 ? -1.806 12.170 16.762 1.00 38.98 ? 7 ARG A NH1 1 ATOM 50 N NH2 . ARG A 1 7 ? -1.371 12.189 19.012 1.00 35.78 ? 7 ARG A NH2 1 ATOM 51 N N . ILE A 1 8 ? 3.424 6.555 15.299 1.00 19.45 ? 8 ILE A N 1 ATOM 52 C CA . ILE A 1 8 ? 4.594 5.720 15.522 1.00 20.24 ? 8 ILE A CA 1 ATOM 53 C C . ILE A 1 8 ? 5.900 6.487 15.291 1.00 20.68 ? 8 ILE A C 1 ATOM 54 O O . ILE A 1 8 ? 6.134 7.038 14.217 1.00 17.52 ? 8 ILE A O 1 ATOM 55 C CB . ILE A 1 8 ? 4.518 4.492 14.597 1.00 20.89 ? 8 ILE A CB 1 ATOM 56 C CG1 . ILE A 1 8 ? 3.159 3.816 14.795 1.00 23.90 ? 8 ILE A CG1 1 ATOM 57 C CG2 . ILE A 1 8 ? 5.640 3.513 14.906 1.00 22.39 ? 8 ILE A CG2 1 ATOM 58 C CD1 . ILE A 1 8 ? 2.926 2.599 13.938 1.00 24.72 ? 8 ILE A CD1 1 ATOM 59 N N . PHE A 1 9 ? 6.752 6.505 16.313 1.00 18.79 ? 9 PHE A N 1 ATOM 60 C CA . PHE A 1 9 ? 8.025 7.208 16.244 1.00 19.73 ? 9 PHE A CA 1 ATOM 61 C C . PHE A 1 9 ? 9.149 6.364 15.648 1.00 19.20 ? 9 PHE A C 1 ATOM 62 O O . PHE A 1 9 ? 9.397 5.245 16.097 1.00 18.19 ? 9 PHE A O 1 ATOM 63 C CB . PHE A 1 9 ? 8.434 7.669 17.647 1.00 20.07 ? 9 PHE A CB 1 ATOM 64 C CG . PHE A 1 9 ? 9.738 8.413 17.684 1.00 21.73 ? 9 PHE A CG 1 ATOM 65 C CD1 . PHE A 1 9 ? 9.862 9.656 17.071 1.00 22.42 ? 9 PHE A CD1 1 ATOM 66 C CD2 . PHE A 1 9 ? 10.848 7.861 18.310 1.00 22.09 ? 9 PHE A CD2 1 ATOM 67 C CE1 . PHE A 1 9 ? 11.079 10.340 17.081 1.00 23.73 ? 9 PHE A CE1 1 ATOM 68 C CE2 . PHE A 1 9 ? 12.066 8.533 18.325 1.00 24.03 ? 9 PHE A CE2 1 ATOM 69 C CZ . PHE A 1 9 ? 12.181 9.777 17.707 1.00 23.92 ? 9 PHE A CZ 1 ATOM 70 N N . ASP A 1 10 ? 9.819 6.911 14.635 1.00 19.44 ? 10 ASP A N 1 ATOM 71 C CA . ASP A 1 10 ? 10.944 6.249 13.975 1.00 18.50 ? 10 ASP A CA 1 ATOM 72 C C . ASP A 1 10 ? 12.193 6.875 14.599 1.00 18.88 ? 10 ASP A C 1 ATOM 73 O O . ASP A 1 10 ? 12.530 8.030 14.314 1.00 18.16 ? 10 ASP A O 1 ATOM 74 C CB . ASP A 1 10 ? 10.918 6.522 12.459 1.00 19.62 ? 10 ASP A CB 1 ATOM 75 C CG . ASP A 1 10 ? 12.056 5.826 11.718 1.00 19.14 ? 10 ASP A CG 1 ATOM 76 O OD1 . ASP A 1 10 ? 13.154 5.706 12.293 1.00 18.53 ? 10 ASP A OD1 1 ATOM 77 O OD2 . ASP A 1 10 ? 11.854 5.410 10.556 1.00 18.15 ? 10 ASP A OD2 1 ATOM 78 N N . PRO A 1 11 ? 12.889 6.126 15.470 1.00 17.12 ? 11 PRO A N 1 ATOM 79 C CA . PRO A 1 11 ? 14.092 6.638 16.127 1.00 18.18 ? 11 PRO A CA 1 ATOM 80 C C . PRO A 1 11 ? 15.266 6.908 15.193 1.00 18.06 ? 11 PRO A C 1 ATOM 81 O O . PRO A 1 11 ? 16.172 7.661 15.543 1.00 18.97 ? 11 PRO A O 1 ATOM 82 C CB . PRO A 1 11 ? 14.407 5.557 17.148 1.00 17.57 ? 11 PRO A CB 1 ATOM 83 C CG . PRO A 1 11 ? 14.036 4.316 16.404 1.00 19.25 ? 11 PRO A CG 1 ATOM 84 C CD . PRO A 1 11 ? 12.694 4.700 15.790 1.00 19.07 ? 11 PRO A CD 1 ATOM 85 N N . VAL A 1 12 ? 15.253 6.299 14.013 1.00 19.87 ? 12 VAL A N 1 ATOM 86 C CA . VAL A 1 12 ? 16.339 6.496 13.054 1.00 20.89 ? 12 VAL A CA 1 ATOM 87 C C . VAL A 1 12 ? 16.209 7.832 12.331 1.00 22.39 ? 12 VAL A C 1 ATOM 88 O O . VAL A 1 12 ? 17.166 8.596 12.249 1.00 22.81 ? 12 VAL A O 1 ATOM 89 C CB . VAL A 1 12 ? 16.374 5.370 11.999 1.00 20.98 ? 12 VAL A CB 1 ATOM 90 C CG1 . VAL A 1 12 ? 17.436 5.679 10.942 1.00 21.58 ? 12 VAL A CG1 1 ATOM 91 C CG2 . VAL A 1 12 ? 16.667 4.040 12.668 1.00 20.02 ? 12 VAL A CG2 1 ATOM 92 N N . THR A 1 13 ? 15.027 8.114 11.801 1.00 22.30 ? 13 THR A N 1 ATOM 93 C CA . THR A 1 13 ? 14.817 9.369 11.095 1.00 24.63 ? 13 THR A CA 1 ATOM 94 C C . THR A 1 13 ? 14.299 10.454 12.026 1.00 26.65 ? 13 THR A C 1 ATOM 95 O O . THR A 1 13 ? 14.421 11.637 11.727 1.00 28.16 ? 13 THR A O 1 ATOM 96 C CB . THR A 1 13 ? 13.803 9.216 9.940 1.00 22.74 ? 13 THR A CB 1 ATOM 97 O OG1 . THR A 1 13 ? 12.533 8.816 10.469 1.00 21.00 ? 13 THR A OG1 1 ATOM 98 C CG2 . THR A 1 13 ? 14.291 8.190 8.925 1.00 24.01 ? 13 THR A CG2 1 ATOM 99 N N . GLY A 1 14 ? 13.724 10.043 13.153 1.00 27.88 ? 14 GLY A N 1 ATOM 100 C CA . GLY A 1 14 ? 13.173 10.993 14.100 1.00 27.37 ? 14 GLY A CA 1 ATOM 101 C C . GLY A 1 14 ? 11.801 11.457 13.646 1.00 27.32 ? 14 GLY A C 1 ATOM 102 O O . GLY A 1 14 ? 11.228 12.382 14.220 1.00 27.94 ? 14 GLY A O 1 ATOM 103 N N . THR A 1 15 ? 11.267 10.803 12.618 1.00 25.60 ? 15 THR A N 1 ATOM 104 C CA . THR A 1 15 ? 9.964 11.157 12.061 1.00 24.40 ? 15 THR A CA 1 ATOM 105 C C . THR A 1 15 ? 8.826 10.363 12.690 1.00 24.21 ? 15 THR A C 1 ATOM 106 O O . THR A 1 15 ? 8.961 9.160 12.923 1.00 24.38 ? 15 THR A O 1 ATOM 107 C CB . THR A 1 15 ? 9.921 10.887 10.543 1.00 25.21 ? 15 THR A CB 1 ATOM 108 O OG1 . THR A 1 15 ? 10.997 11.575 9.895 1.00 28.70 ? 15 THR A OG1 1 ATOM 109 C CG2 . THR A 1 15 ? 8.589 11.356 9.952 1.00 26.82 ? 15 THR A CG2 1 ATOM 110 N N . THR A 1 16 ? 7.705 11.030 12.955 1.00 21.20 ? 16 THR A N 1 ATOM 111 C CA . THR A 1 16 ? 6.535 10.358 13.514 1.00 20.87 ? 16 THR A CA 1 ATOM 112 C C . THR A 1 16 ? 5.509 10.140 12.402 1.00 22.62 ? 16 THR A C 1 ATOM 113 O O . THR A 1 16 ? 5.109 11.081 11.718 1.00 24.87 ? 16 THR A O 1 ATOM 114 C CB . THR A 1 16 ? 5.888 11.173 14.648 1.00 20.90 ? 16 THR A CB 1 ATOM 115 O OG1 . THR A 1 16 ? 6.742 11.142 15.800 1.00 19.19 ? 16 THR A OG1 1 ATOM 116 C CG2 . THR A 1 16 ? 4.519 10.596 15.012 1.00 20.90 ? 16 THR A CG2 1 ATOM 117 N N . HIS A 1 17 ? 5.084 8.891 12.240 1.00 21.42 ? 17 HIS A N 1 ATOM 118 C CA . HIS A 1 17 ? 4.131 8.518 11.204 1.00 23.03 ? 17 HIS A CA 1 ATOM 119 C C . HIS A 1 17 ? 2.799 8.038 11.770 1.00 23.01 ? 17 HIS A C 1 ATOM 120 O O . HIS A 1 17 ? 2.725 7.578 12.914 1.00 24.75 ? 17 HIS A O 1 ATOM 121 C CB . HIS A 1 17 ? 4.714 7.377 10.367 1.00 22.72 ? 17 HIS A CB 1 ATOM 122 C CG . HIS A 1 17 ? 6.077 7.653 9.817 1.00 23.78 ? 17 HIS A CG 1 ATOM 123 N ND1 . HIS A 1 17 ? 6.283 8.108 8.532 1.00 26.27 ? 17 HIS A ND1 1 ATOM 124 C CD2 . HIS A 1 17 ? 7.303 7.545 10.379 1.00 24.92 ? 17 HIS A CD2 1 ATOM 125 C CE1 . HIS A 1 17 ? 7.578 8.268 8.327 1.00 24.02 ? 17 HIS A CE1 1 ATOM 126 N NE2 . HIS A 1 17 ? 8.220 7.934 9.431 1.00 25.18 ? 17 HIS A NE2 1 ATOM 127 N N . ARG A 1 18 ? 1.747 8.155 10.963 1.00 22.82 ? 18 ARG A N 1 ATOM 128 C CA . ARG A 1 18 ? 0.433 7.647 11.347 1.00 22.22 ? 18 ARG A CA 1 ATOM 129 C C . ARG A 1 18 ? 0.448 6.237 10.759 1.00 20.26 ? 18 ARG A C 1 ATOM 130 O O . ARG A 1 18 ? 0.826 6.051 9.601 1.00 19.93 ? 18 ARG A O 1 ATOM 131 C CB . ARG A 1 18 ? -0.688 8.484 10.728 1.00 24.23 ? 18 ARG A CB 1 ATOM 132 C CG . ARG A 1 18 ? -0.969 9.774 11.491 1.00 27.79 ? 18 ARG A CG 1 ATOM 133 C CD . ARG A 1 18 ? -2.188 10.502 10.937 1.00 31.36 ? 18 ARG A CD 1 ATOM 134 N NE . ARG A 1 18 ? -1.955 10.979 9.578 1.00 35.87 ? 18 ARG A NE 1 ATOM 135 C CZ . ARG A 1 18 ? -2.818 11.710 8.882 1.00 38.00 ? 18 ARG A CZ 1 ATOM 136 N NH1 . ARG A 1 18 ? -3.984 12.055 9.418 1.00 40.48 ? 18 ARG A NH1 1 ATOM 137 N NH2 . ARG A 1 18 ? -2.517 12.097 7.649 1.00 39.23 ? 18 ARG A NH2 1 ATOM 138 N N . ILE A 1 19 ? 0.049 5.245 11.546 1.00 19.10 ? 19 ILE A N 1 ATOM 139 C CA . ILE A 1 19 ? 0.103 3.861 11.082 1.00 20.04 ? 19 ILE A CA 1 ATOM 140 C C . ILE A 1 19 ? -0.632 3.543 9.776 1.00 20.71 ? 19 ILE A C 1 ATOM 141 O O . ILE A 1 19 ? -0.147 2.731 8.977 1.00 18.75 ? 19 ILE A O 1 ATOM 142 C CB . ILE A 1 19 ? -0.362 2.893 12.189 1.00 18.04 ? 19 ILE A CB 1 ATOM 143 C CG1 . ILE A 1 19 ? 0.083 1.473 11.848 1.00 19.24 ? 19 ILE A CG1 1 ATOM 144 C CG2 . ILE A 1 19 ? -1.876 2.953 12.347 1.00 20.60 ? 19 ILE A CG2 1 ATOM 145 C CD1 . ILE A 1 19 ? -0.169 0.470 12.957 1.00 17.59 ? 19 ILE A CD1 1 ATOM 146 N N . GLU A 1 20 ? -1.782 4.170 9.533 1.00 20.31 ? 20 GLU A N 1 ATOM 147 C CA . GLU A 1 20 ? -2.490 3.879 8.288 1.00 21.01 ? 20 GLU A CA 1 ATOM 148 C C . GLU A 1 20 ? -1.658 4.316 7.080 1.00 20.70 ? 20 GLU A C 1 ATOM 149 O O . GLU A 1 20 ? -1.759 3.725 6.006 1.00 23.08 ? 20 GLU A O 1 ATOM 150 C CB . GLU A 1 20 ? -3.878 4.540 8.250 1.00 20.88 ? 20 GLU A CB 1 ATOM 151 C CG . GLU A 1 20 ? -3.898 6.061 8.133 1.00 20.62 ? 20 GLU A CG 1 ATOM 152 C CD . GLU A 1 20 ? -3.754 6.756 9.474 1.00 24.02 ? 20 GLU A CD 1 ATOM 153 O OE1 . GLU A 1 20 ? -3.928 7.995 9.523 1.00 24.38 ? 20 GLU A OE1 1 ATOM 154 O OE2 . GLU A 1 20 ? -3.470 6.070 10.478 1.00 23.71 ? 20 GLU A OE2 1 ATOM 155 N N . ASP A 1 21 ? -0.833 5.344 7.245 1.00 20.19 ? 21 ASP A N 1 ATOM 156 C CA . ASP A 1 21 ? 0.008 5.793 6.140 1.00 22.06 ? 21 ASP A CA 1 ATOM 157 C C . ASP A 1 21 ? 1.194 4.853 5.928 1.00 21.13 ? 21 ASP A C 1 ATOM 158 O O . ASP A 1 21 ? 1.641 4.654 4.802 1.00 19.45 ? 21 ASP A O 1 ATOM 159 C CB . ASP A 1 21 ? 0.516 7.216 6.382 1.00 21.47 ? 21 ASP A CB 1 ATOM 160 C CG . ASP A 1 21 ? -0.602 8.233 6.380 1.00 24.14 ? 21 ASP A CG 1 ATOM 161 O OD1 . ASP A 1 21 ? -1.639 7.963 5.738 1.00 24.23 ? 21 ASP A OD1 1 ATOM 162 O OD2 . ASP A 1 21 ? -0.441 9.303 7.004 1.00 26.37 ? 21 ASP A OD2 1 ATOM 163 N N . VAL A 1 22 ? 1.695 4.279 7.019 1.00 21.62 ? 22 VAL A N 1 ATOM 164 C CA . VAL A 1 22 ? 2.824 3.352 6.961 1.00 21.47 ? 22 VAL A CA 1 ATOM 165 C C . VAL A 1 22 ? 2.416 2.070 6.236 1.00 21.69 ? 22 VAL A C 1 ATOM 166 O O . VAL A 1 22 ? 3.169 1.544 5.411 1.00 19.45 ? 22 VAL A O 1 ATOM 167 C CB . VAL A 1 22 ? 3.316 2.980 8.374 1.00 20.26 ? 22 VAL A CB 1 ATOM 168 C CG1 . VAL A 1 22 ? 4.472 1.987 8.281 1.00 18.95 ? 22 VAL A CG1 1 ATOM 169 C CG2 . VAL A 1 22 ? 3.761 4.237 9.117 1.00 19.14 ? 22 VAL A CG2 1 ATOM 170 N N . VAL A 1 23 ? 1.216 1.583 6.541 1.00 21.38 ? 23 VAL A N 1 ATOM 171 C CA . VAL A 1 23 ? 0.702 0.370 5.922 1.00 20.60 ? 23 VAL A CA 1 ATOM 172 C C . VAL A 1 23 ? 0.240 0.610 4.481 1.00 21.99 ? 23 VAL A C 1 ATOM 173 O O . VAL A 1 23 ? 0.654 -0.110 3.559 1.00 22.18 ? 23 VAL A O 1 ATOM 174 C CB . VAL A 1 23 ? -0.470 -0.216 6.747 1.00 19.91 ? 23 VAL A CB 1 ATOM 175 C CG1 . VAL A 1 23 ? -1.118 -1.372 5.990 1.00 19.40 ? 23 VAL A CG1 1 ATOM 176 C CG2 . VAL A 1 23 ? 0.039 -0.704 8.094 1.00 16.88 ? 23 VAL A CG2 1 ATOM 177 N N . ASP A 1 24 ? -0.611 1.615 4.277 1.00 21.28 ? 24 ASP A N 1 ATOM 178 C CA . ASP A 1 24 ? -1.099 1.920 2.927 1.00 22.49 ? 24 ASP A CA 1 ATOM 179 C C . ASP A 1 24 ? 0.049 2.266 1.981 1.00 23.41 ? 24 ASP A C 1 ATOM 180 O O . ASP A 1 24 ? -0.021 1.995 0.775 1.00 24.16 ? 24 ASP A O 1 ATOM 181 C CB . ASP A 1 24 ? -2.090 3.095 2.940 1.00 21.95 ? 24 ASP A CB 1 ATOM 182 C CG . ASP A 1 24 ? -3.424 2.740 3.558 1.00 21.81 ? 24 ASP A CG 1 ATOM 183 O OD1 . ASP A 1 24 ? -3.678 1.546 3.825 1.00 23.56 ? 24 ASP A OD1 1 ATOM 184 O OD2 . ASP A 1 24 ? -4.233 3.667 3.772 1.00 24.76 ? 24 ASP A OD2 1 ATOM 185 N N . GLY A 1 25 ? 1.095 2.882 2.526 1.00 22.36 ? 25 GLY A N 1 ATOM 186 C CA . GLY A 1 25 ? 2.237 3.256 1.716 1.00 24.60 ? 25 GLY A CA 1 ATOM 187 C C . GLY A 1 25 ? 3.411 2.302 1.827 1.00 24.15 ? 25 GLY A C 1 ATOM 188 O O . GLY A 1 25 ? 4.472 2.562 1.259 1.00 25.39 ? 25 GLY A O 1 ATOM 189 N N . ARG A 1 26 ? 3.229 1.194 2.543 1.00 24.72 ? 26 ARG A N 1 ATOM 190 C CA . ARG A 1 26 ? 4.294 0.207 2.731 1.00 25.40 ? 26 ARG A CA 1 ATOM 191 C C . ARG A 1 26 ? 5.635 0.874 3.002 1.00 24.65 ? 26 ARG A C 1 ATOM 192 O O . ARG A 1 26 ? 6.662 0.494 2.436 1.00 24.42 ? 26 ARG A O 1 ATOM 193 C CB . ARG A 1 26 ? 4.398 -0.690 1.499 1.00 28.33 ? 26 ARG A CB 1 ATOM 194 C CG . ARG A 1 26 ? 3.215 -1.608 1.362 1.00 33.64 ? 26 ARG A CG 1 ATOM 195 C CD . ARG A 1 26 ? 3.253 -2.398 0.074 1.00 39.47 ? 26 ARG A CD 1 ATOM 196 N NE . ARG A 1 26 ? 2.537 -3.654 0.254 1.00 43.22 ? 26 ARG A NE 1 ATOM 197 C CZ . ARG A 1 26 ? 3.009 -4.670 0.966 1.00 44.67 ? 26 ARG A CZ 1 ATOM 198 N NH1 . ARG A 1 26 ? 4.196 -4.570 1.543 1.00 45.61 ? 26 ARG A NH1 1 ATOM 199 N NH2 . ARG A 1 26 ? 2.289 -5.774 1.122 1.00 47.42 ? 26 ARG A NH2 1 ATOM 200 N N . LYS A 1 27 ? 5.613 1.868 3.883 1.00 23.69 ? 27 LYS A N 1 ATOM 201 C CA . LYS A 1 27 ? 6.804 2.624 4.236 1.00 22.74 ? 27 LYS A CA 1 ATOM 202 C C . LYS A 1 27 ? 7.768 1.806 5.096 1.00 20.75 ? 27 LYS A C 1 ATOM 203 O O . LYS A 1 27 ? 7.368 1.230 6.105 1.00 19.32 ? 27 LYS A O 1 ATOM 204 C CB . LYS A 1 27 ? 6.388 3.911 4.961 1.00 22.70 ? 27 LYS A CB 1 ATOM 205 C CG . LYS A 1 27 ? 5.431 4.778 4.140 1.00 24.98 ? 27 LYS A CG 1 ATOM 206 C CD . LYS A 1 27 ? 5.216 6.148 4.763 1.00 27.16 ? 27 LYS A CD 1 ATOM 207 C CE . LYS A 1 27 ? 4.382 7.037 3.844 1.00 28.89 ? 27 LYS A CE 1 ATOM 208 N NZ . LYS A 1 27 ? 4.229 8.438 4.350 1.00 30.73 ? 27 LYS A NZ 1 ATOM 209 N N . PRO A 1 28 ? 9.057 1.759 4.703 1.00 20.78 ? 28 PRO A N 1 ATOM 210 C CA . PRO A 1 28 ? 10.161 1.042 5.355 1.00 20.30 ? 28 PRO A CA 1 ATOM 211 C C . PRO A 1 28 ? 10.728 1.758 6.583 1.00 20.17 ? 28 PRO A C 1 ATOM 212 O O . PRO A 1 28 ? 11.940 1.956 6.692 1.00 20.30 ? 28 PRO A O 1 ATOM 213 C CB . PRO A 1 28 ? 11.193 0.947 4.241 1.00 19.63 ? 28 PRO A CB 1 ATOM 214 C CG . PRO A 1 28 ? 11.046 2.276 3.584 1.00 21.61 ? 28 PRO A CG 1 ATOM 215 C CD . PRO A 1 28 ? 9.539 2.423 3.472 1.00 20.34 ? 28 PRO A CD 1 ATOM 216 N N . ILE A 1 29 ? 9.859 2.135 7.510 1.00 19.25 ? 29 ILE A N 1 ATOM 217 C CA . ILE A 1 29 ? 10.310 2.849 8.697 1.00 20.25 ? 29 ILE A CA 1 ATOM 218 C C . ILE A 1 29 ? 10.900 1.923 9.747 1.00 19.31 ? 29 ILE A C 1 ATOM 219 O O . ILE A 1 29 ? 10.787 0.695 9.661 1.00 16.87 ? 29 ILE A O 1 ATOM 220 C CB . ILE A 1 29 ? 9.145 3.612 9.373 1.00 20.14 ? 29 ILE A CB 1 ATOM 221 C CG1 . ILE A 1 29 ? 8.157 2.613 9.986 1.00 20.21 ? 29 ILE A CG1 1 ATOM 222 C CG2 . ILE A 1 29 ? 8.439 4.497 8.355 1.00 21.85 ? 29 ILE A CG2 1 ATOM 223 C CD1 . ILE A 1 29 ? 7.084 3.230 10.865 1.00 18.33 ? 29 ILE A CD1 1 ATOM 224 N N . HIS A 1 30 ? 11.556 2.537 10.726 1.00 18.64 ? 30 HIS A N 1 ATOM 225 C CA . HIS A 1 30 ? 12.098 1.816 11.863 1.00 16.68 ? 30 HIS A CA 1 ATOM 226 C C . HIS A 1 30 ? 11.188 2.280 12.997 1.00 17.23 ? 30 HIS A C 1 ATOM 227 O O . HIS A 1 30 ? 10.506 3.303 12.877 1.00 17.33 ? 30 HIS A O 1 ATOM 228 C CB . HIS A 1 30 ? 13.540 2.225 12.181 1.00 16.78 ? 30 HIS A CB 1 ATOM 229 C CG . HIS A 1 30 ? 14.553 1.664 11.237 1.00 18.70 ? 30 HIS A CG 1 ATOM 230 N ND1 . HIS A 1 30 ? 14.796 2.208 9.997 1.00 19.44 ? 30 HIS A ND1 1 ATOM 231 C CD2 . HIS A 1 30 ? 15.342 0.567 11.331 1.00 20.00 ? 30 HIS A CD2 1 ATOM 232 C CE1 . HIS A 1 30 ? 15.690 1.469 9.364 1.00 22.28 ? 30 HIS A CE1 1 ATOM 233 N NE2 . HIS A 1 30 ? 16.036 0.466 10.151 1.00 19.84 ? 30 HIS A NE2 1 ATOM 234 N N . VAL A 1 31 ? 11.164 1.526 14.082 1.00 16.65 ? 31 VAL A N 1 ATOM 235 C CA . VAL A 1 31 ? 10.354 1.883 15.238 1.00 16.12 ? 31 VAL A CA 1 ATOM 236 C C . VAL A 1 31 ? 11.208 1.604 16.454 1.00 17.18 ? 31 VAL A C 1 ATOM 237 O O . VAL A 1 31 ? 12.261 0.962 16.349 1.00 18.36 ? 31 VAL A O 1 ATOM 238 C CB . VAL A 1 31 ? 9.101 0.998 15.353 1.00 16.86 ? 31 VAL A CB 1 ATOM 239 C CG1 . VAL A 1 31 ? 8.258 1.117 14.110 1.00 16.26 ? 31 VAL A CG1 1 ATOM 240 C CG2 . VAL A 1 31 ? 9.528 -0.462 15.589 1.00 13.30 ? 31 VAL A CG2 1 ATOM 241 N N . VAL A 1 32 ? 10.773 2.092 17.607 1.00 15.43 ? 32 VAL A N 1 ATOM 242 C CA . VAL A 1 32 ? 11.497 1.799 18.830 1.00 17.05 ? 32 VAL A CA 1 ATOM 243 C C . VAL A 1 32 ? 10.834 0.514 19.315 1.00 17.78 ? 32 VAL A C 1 ATOM 244 O O . VAL A 1 32 ? 9.622 0.481 19.534 1.00 18.32 ? 32 VAL A O 1 ATOM 245 C CB . VAL A 1 32 ? 11.321 2.891 19.896 1.00 16.21 ? 32 VAL A CB 1 ATOM 246 C CG1 . VAL A 1 32 ? 12.031 2.474 21.186 1.00 14.82 ? 32 VAL A CG1 1 ATOM 247 C CG2 . VAL A 1 32 ? 11.887 4.201 19.394 1.00 17.79 ? 32 VAL A CG2 1 ATOM 248 N N . ALA A 1 33 ? 11.618 -0.549 19.439 1.00 18.82 ? 33 ALA A N 1 ATOM 249 C CA . ALA A 1 33 ? 11.085 -1.827 19.888 1.00 20.36 ? 33 ALA A CA 1 ATOM 250 C C . ALA A 1 33 ? 11.612 -2.110 21.281 1.00 21.24 ? 33 ALA A C 1 ATOM 251 O O . ALA A 1 33 ? 12.665 -1.607 21.666 1.00 23.30 ? 33 ALA A O 1 ATOM 252 C CB . ALA A 1 33 ? 11.507 -2.941 18.937 1.00 20.00 ? 33 ALA A CB 1 ATOM 253 N N . ALA A 1 34 ? 10.876 -2.917 22.034 1.00 21.85 ? 34 ALA A N 1 ATOM 254 C CA . ALA A 1 34 ? 11.280 -3.273 23.386 1.00 21.61 ? 34 ALA A CA 1 ATOM 255 C C . ALA A 1 34 ? 11.667 -4.743 23.422 1.00 22.43 ? 34 ALA A C 1 ATOM 256 O O . ALA A 1 34 ? 10.950 -5.593 22.891 1.00 20.35 ? 34 ALA A O 1 ATOM 257 C CB . ALA A 1 34 ? 10.137 -3.014 24.358 1.00 21.95 ? 34 ALA A CB 1 ATOM 258 N N . ALA A 1 35 ? 12.813 -5.034 24.026 1.00 24.53 ? 35 ALA A N 1 ATOM 259 C CA . ALA A 1 35 ? 13.278 -6.409 24.141 1.00 28.98 ? 35 ALA A CA 1 ATOM 260 C C . ALA A 1 35 ? 12.548 -7.060 25.312 1.00 32.98 ? 35 ALA A C 1 ATOM 261 O O . ALA A 1 35 ? 11.674 -6.447 25.931 1.00 33.21 ? 35 ALA A O 1 ATOM 262 C CB . ALA A 1 35 ? 14.783 -6.438 24.379 1.00 27.29 ? 35 ALA A CB 1 ATOM 263 N N . LYS A 1 36 ? 12.906 -8.303 25.612 1.00 36.46 ? 36 LYS A N 1 ATOM 264 C CA . LYS A 1 36 ? 12.291 -9.022 26.719 1.00 40.12 ? 36 LYS A CA 1 ATOM 265 C C . LYS A 1 36 ? 12.845 -8.479 28.037 1.00 41.05 ? 36 LYS A C 1 ATOM 266 O O . LYS A 1 36 ? 12.123 -8.385 29.030 1.00 42.40 ? 36 LYS A O 1 ATOM 267 C CB . LYS A 1 36 ? 12.582 -10.521 26.586 1.00 41.64 ? 36 LYS A CB 1 ATOM 268 C CG . LYS A 1 36 ? 12.168 -11.093 25.228 1.00 44.01 ? 36 LYS A CG 1 ATOM 269 C CD . LYS A 1 36 ? 12.653 -12.523 25.011 1.00 45.25 ? 36 LYS A CD 1 ATOM 270 C CE . LYS A 1 36 ? 11.867 -13.532 25.835 1.00 46.62 ? 36 LYS A CE 1 ATOM 271 N NZ . LYS A 1 36 ? 12.023 -13.333 27.302 1.00 48.17 ? 36 LYS A NZ 1 ATOM 272 N N . ASP A 1 37 ? 14.122 -8.104 28.035 1.00 42.64 ? 37 ASP A N 1 ATOM 273 C CA . ASP A 1 37 ? 14.765 -7.568 29.232 1.00 43.41 ? 37 ASP A CA 1 ATOM 274 C C . ASP A 1 37 ? 14.398 -6.111 29.475 1.00 43.35 ? 37 ASP A C 1 ATOM 275 O O . ASP A 1 37 ? 14.989 -5.452 30.332 1.00 44.60 ? 37 ASP A O 1 ATOM 276 C CB . ASP A 1 37 ? 16.289 -7.690 29.134 1.00 44.88 ? 37 ASP A CB 1 ATOM 277 C CG . ASP A 1 37 ? 16.869 -6.892 27.982 1.00 45.40 ? 37 ASP A CG 1 ATOM 278 O OD1 . ASP A 1 37 ? 16.576 -5.685 27.883 1.00 46.01 ? 37 ASP A OD1 1 ATOM 279 O OD2 . ASP A 1 37 ? 17.627 -7.473 27.177 1.00 47.65 ? 37 ASP A OD2 1 ATOM 280 N N . GLY A 1 38 ? 13.443 -5.606 28.701 1.00 42.54 ? 38 GLY A N 1 ATOM 281 C CA . GLY A 1 38 ? 13.001 -4.232 28.868 1.00 40.29 ? 38 GLY A CA 1 ATOM 282 C C . GLY A 1 38 ? 13.685 -3.167 28.029 1.00 37.93 ? 38 GLY A C 1 ATOM 283 O O . GLY A 1 38 ? 13.079 -2.133 27.737 1.00 37.93 ? 38 GLY A O 1 ATOM 284 N N . THR A 1 39 ? 14.936 -3.400 27.642 1.00 34.61 ? 39 THR A N 1 ATOM 285 C CA . THR A 1 39 ? 15.672 -2.423 26.847 1.00 30.87 ? 39 THR A CA 1 ATOM 286 C C . THR A 1 39 ? 14.979 -2.066 25.534 1.00 27.56 ? 39 THR A C 1 ATOM 287 O O . THR A 1 39 ? 14.305 -2.897 24.914 1.00 24.89 ? 39 THR A O 1 ATOM 288 C CB . THR A 1 39 ? 17.116 -2.907 26.541 1.00 31.51 ? 39 THR A CB 1 ATOM 289 O OG1 . THR A 1 39 ? 17.075 -4.191 25.909 1.00 32.04 ? 39 THR A OG1 1 ATOM 290 C CG2 . THR A 1 39 ? 17.931 -3.004 27.826 1.00 31.75 ? 39 THR A CG2 1 ATOM 291 N N . LEU A 1 40 ? 15.148 -0.812 25.124 1.00 24.80 ? 40 LEU A N 1 ATOM 292 C CA . LEU A 1 40 ? 14.558 -0.314 23.892 1.00 21.66 ? 40 LEU A CA 1 ATOM 293 C C . LEU A 1 40 ? 15.608 -0.296 22.785 1.00 22.24 ? 40 LEU A C 1 ATOM 294 O O . LEU A 1 40 ? 16.777 0.026 23.025 1.00 21.91 ? 40 LEU A O 1 ATOM 295 C CB . LEU A 1 40 ? 14.004 1.096 24.109 1.00 19.32 ? 40 LEU A CB 1 ATOM 296 C CG . LEU A 1 40 ? 12.918 1.258 25.180 1.00 18.15 ? 40 LEU A CG 1 ATOM 297 C CD1 . LEU A 1 40 ? 12.535 2.716 25.291 1.00 19.31 ? 40 LEU A CD1 1 ATOM 298 C CD2 . LEU A 1 40 ? 11.702 0.418 24.820 1.00 20.93 ? 40 LEU A CD2 1 ATOM 299 N N . HIS A 1 41 ? 15.181 -0.639 21.572 1.00 21.74 ? 41 HIS A N 1 ATOM 300 C CA . HIS A 1 41 ? 16.078 -0.685 20.422 1.00 21.96 ? 41 HIS A CA 1 ATOM 301 C C . HIS A 1 41 ? 15.342 -0.289 19.158 1.00 22.27 ? 41 HIS A C 1 ATOM 302 O O . HIS A 1 41 ? 14.119 -0.406 19.077 1.00 23.04 ? 41 HIS A O 1 ATOM 303 C CB . HIS A 1 41 ? 16.609 -2.104 20.221 1.00 23.09 ? 41 HIS A CB 1 ATOM 304 C CG . HIS A 1 41 ? 17.245 -2.692 21.437 1.00 25.64 ? 41 HIS A CG 1 ATOM 305 N ND1 . HIS A 1 41 ? 18.545 -2.419 21.802 1.00 26.09 ? 41 HIS A ND1 1 ATOM 306 C CD2 . HIS A 1 41 ? 16.752 -3.522 22.386 1.00 27.34 ? 41 HIS A CD2 1 ATOM 307 C CE1 . HIS A 1 41 ? 18.826 -3.057 22.924 1.00 28.07 ? 41 HIS A CE1 1 ATOM 308 N NE2 . HIS A 1 41 ? 17.755 -3.732 23.300 1.00 29.88 ? 41 HIS A NE2 1 ATOM 309 N N . ALA A 1 42 ? 16.094 0.167 18.163 1.00 19.59 ? 42 ALA A N 1 ATOM 310 C CA . ALA A 1 42 ? 15.510 0.541 16.881 1.00 18.59 ? 42 ALA A CA 1 ATOM 311 C C . ALA A 1 42 ? 15.453 -0.716 16.020 1.00 18.54 ? 42 ALA A C 1 ATOM 312 O O . ALA A 1 42 ? 16.439 -1.443 15.917 1.00 19.90 ? 42 ALA A O 1 ATOM 313 C CB . ALA A 1 42 ? 16.371 1.594 16.203 1.00 18.45 ? 42 ALA A CB 1 ATOM 314 N N . ARG A 1 43 ? 14.304 -0.977 15.407 1.00 17.90 ? 43 ARG A N 1 ATOM 315 C CA . ARG A 1 43 ? 14.155 -2.153 14.555 1.00 18.72 ? 43 ARG A CA 1 ATOM 316 C C . ARG A 1 43 ? 13.317 -1.806 13.326 1.00 18.43 ? 43 ARG A C 1 ATOM 317 O O . ARG A 1 43 ? 12.420 -0.958 13.389 1.00 19.22 ? 43 ARG A O 1 ATOM 318 C CB . ARG A 1 43 ? 13.505 -3.297 15.345 1.00 17.50 ? 43 ARG A CB 1 ATOM 319 C CG . ARG A 1 43 ? 14.421 -3.962 16.367 1.00 17.03 ? 43 ARG A CG 1 ATOM 320 C CD . ARG A 1 43 ? 15.463 -4.835 15.677 1.00 18.07 ? 43 ARG A CD 1 ATOM 321 N NE . ARG A 1 43 ? 16.334 -5.566 16.598 1.00 18.01 ? 43 ARG A NE 1 ATOM 322 C CZ . ARG A 1 43 ? 17.310 -5.020 17.319 1.00 18.61 ? 43 ARG A CZ 1 ATOM 323 N NH1 . ARG A 1 43 ? 17.558 -3.718 17.246 1.00 15.01 ? 43 ARG A NH1 1 ATOM 324 N NH2 . ARG A 1 43 ? 18.054 -5.782 18.108 1.00 16.40 ? 43 ARG A NH2 1 ATOM 325 N N . PRO A 1 44 ? 13.592 -2.459 12.188 1.00 18.38 ? 44 PRO A N 1 ATOM 326 C CA . PRO A 1 44 ? 12.822 -2.156 10.981 1.00 18.15 ? 44 PRO A CA 1 ATOM 327 C C . PRO A 1 44 ? 11.490 -2.892 10.851 1.00 18.91 ? 44 PRO A C 1 ATOM 328 O O . PRO A 1 44 ? 11.320 -3.998 11.376 1.00 17.20 ? 44 PRO A O 1 ATOM 329 C CB . PRO A 1 44 ? 13.791 -2.534 9.867 1.00 17.55 ? 44 PRO A CB 1 ATOM 330 C CG . PRO A 1 44 ? 14.456 -3.757 10.434 1.00 19.26 ? 44 PRO A CG 1 ATOM 331 C CD . PRO A 1 44 ? 14.731 -3.349 11.880 1.00 18.04 ? 44 PRO A CD 1 ATOM 332 N N . VAL A 1 45 ? 10.547 -2.266 10.149 1.00 19.59 ? 45 VAL A N 1 ATOM 333 C CA . VAL A 1 45 ? 9.249 -2.878 9.886 1.00 20.17 ? 45 VAL A CA 1 ATOM 334 C C . VAL A 1 45 ? 9.468 -3.652 8.591 1.00 22.24 ? 45 VAL A C 1 ATOM 335 O O . VAL A 1 45 ? 9.963 -3.090 7.618 1.00 23.24 ? 45 VAL A O 1 ATOM 336 C CB . VAL A 1 45 ? 8.142 -1.824 9.669 1.00 21.56 ? 45 VAL A CB 1 ATOM 337 C CG1 . VAL A 1 45 ? 6.864 -2.504 9.143 1.00 21.91 ? 45 VAL A CG1 1 ATOM 338 C CG2 . VAL A 1 45 ? 7.842 -1.112 10.981 1.00 20.11 ? 45 VAL A CG2 1 ATOM 339 N N . VAL A 1 46 ? 9.116 -4.936 8.581 1.00 22.41 ? 46 VAL A N 1 ATOM 340 C CA . VAL A 1 46 ? 9.323 -5.768 7.401 1.00 22.68 ? 46 VAL A CA 1 ATOM 341 C C . VAL A 1 46 ? 8.043 -6.317 6.779 1.00 23.33 ? 46 VAL A C 1 ATOM 342 O O . VAL A 1 46 ? 8.084 -6.990 5.750 1.00 22.89 ? 46 VAL A O 1 ATOM 343 C CB . VAL A 1 46 ? 10.263 -6.944 7.728 1.00 22.80 ? 46 VAL A CB 1 ATOM 344 C CG1 . VAL A 1 46 ? 11.583 -6.410 8.269 1.00 20.00 ? 46 VAL A CG1 1 ATOM 345 C CG2 . VAL A 1 46 ? 9.616 -7.864 8.742 1.00 23.98 ? 46 VAL A CG2 1 ATOM 346 N N . SER A 1 47 ? 6.904 -6.031 7.398 1.00 24.92 ? 47 SER A N 1 ATOM 347 C CA . SER A 1 47 ? 5.632 -6.493 6.862 1.00 25.45 ? 47 SER A CA 1 ATOM 348 C C . SER A 1 47 ? 4.539 -5.524 7.315 1.00 26.10 ? 47 SER A C 1 ATOM 349 O O . SER A 1 47 ? 4.593 -5.002 8.427 1.00 25.69 ? 47 SER A O 1 ATOM 350 C CB . SER A 1 47 ? 5.349 -7.923 7.345 1.00 26.95 ? 47 SER A CB 1 ATOM 351 O OG . SER A 1 47 ? 4.430 -8.579 6.490 1.00 28.94 ? 47 SER A OG 1 ATOM 352 N N . TRP A 1 48 ? 3.558 -5.281 6.446 1.00 25.28 ? 48 TRP A N 1 ATOM 353 C CA . TRP A 1 48 ? 2.465 -4.350 6.738 1.00 24.48 ? 48 TRP A CA 1 ATOM 354 C C . TRP A 1 48 ? 1.091 -5.018 6.633 1.00 24.99 ? 48 TRP A C 1 ATOM 355 O O . TRP A 1 48 ? 0.794 -5.682 5.637 1.00 24.48 ? 48 TRP A O 1 ATOM 356 C CB . TRP A 1 48 ? 2.525 -3.180 5.755 1.00 23.36 ? 48 TRP A CB 1 ATOM 357 C CG . TRP A 1 48 ? 3.853 -2.492 5.708 1.00 23.66 ? 48 TRP A CG 1 ATOM 358 C CD1 . TRP A 1 48 ? 4.187 -1.310 6.307 1.00 21.39 ? 48 TRP A CD1 1 ATOM 359 C CD2 . TRP A 1 48 ? 5.034 -2.942 5.026 1.00 23.48 ? 48 TRP A CD2 1 ATOM 360 N NE1 . TRP A 1 48 ? 5.495 -0.996 6.037 1.00 20.77 ? 48 TRP A NE1 1 ATOM 361 C CE2 . TRP A 1 48 ? 6.039 -1.980 5.254 1.00 22.24 ? 48 TRP A CE2 1 ATOM 362 C CE3 . TRP A 1 48 ? 5.339 -4.066 4.244 1.00 24.78 ? 48 TRP A CE3 1 ATOM 363 C CZ2 . TRP A 1 48 ? 7.335 -2.105 4.725 1.00 22.40 ? 48 TRP A CZ2 1 ATOM 364 C CZ3 . TRP A 1 48 ? 6.623 -4.192 3.720 1.00 23.58 ? 48 TRP A CZ3 1 ATOM 365 C CH2 . TRP A 1 48 ? 7.605 -3.215 3.963 1.00 22.68 ? 48 TRP A CH2 1 ATOM 366 N N . PHE A 1 49 ? 0.240 -4.822 7.638 1.00 23.71 ? 49 PHE A N 1 ATOM 367 C CA . PHE A 1 49 ? -1.084 -5.437 7.608 1.00 25.44 ? 49 PHE A CA 1 ATOM 368 C C . PHE A 1 49 ? -2.270 -4.499 7.795 1.00 24.20 ? 49 PHE A C 1 ATOM 369 O O . PHE A 1 49 ? -2.348 -3.766 8.781 1.00 22.93 ? 49 PHE A O 1 ATOM 370 C CB . PHE A 1 49 ? -1.180 -6.548 8.659 1.00 26.03 ? 49 PHE A CB 1 ATOM 371 C CG . PHE A 1 49 ? -0.089 -7.574 8.556 1.00 27.55 ? 49 PHE A CG 1 ATOM 372 C CD1 . PHE A 1 49 ? 1.039 -7.491 9.366 1.00 28.32 ? 49 PHE A CD1 1 ATOM 373 C CD2 . PHE A 1 49 ? -0.175 -8.609 7.630 1.00 27.00 ? 49 PHE A CD2 1 ATOM 374 C CE1 . PHE A 1 49 ? 2.070 -8.428 9.256 1.00 29.03 ? 49 PHE A CE1 1 ATOM 375 C CE2 . PHE A 1 49 ? 0.847 -9.548 7.510 1.00 28.45 ? 49 PHE A CE2 1 ATOM 376 C CZ . PHE A 1 49 ? 1.971 -9.457 8.325 1.00 28.16 ? 49 PHE A CZ 1 ATOM 377 N N . ASP A 1 50 ? -3.186 -4.532 6.830 1.00 24.18 ? 50 ASP A N 1 ATOM 378 C CA . ASP A 1 50 ? -4.411 -3.741 6.880 1.00 24.88 ? 50 ASP A CA 1 ATOM 379 C C . ASP A 1 50 ? -5.417 -4.746 7.422 1.00 25.49 ? 50 ASP A C 1 ATOM 380 O O . ASP A 1 50 ? -5.824 -5.670 6.717 1.00 25.58 ? 50 ASP A O 1 ATOM 381 C CB . ASP A 1 50 ? -4.836 -3.286 5.481 1.00 25.62 ? 50 ASP A CB 1 ATOM 382 C CG . ASP A 1 50 ? -6.080 -2.409 5.504 1.00 26.95 ? 50 ASP A CG 1 ATOM 383 O OD1 . ASP A 1 50 ? -7.001 -2.714 6.288 1.00 26.74 ? 50 ASP A OD1 1 ATOM 384 O OD2 . ASP A 1 50 ? -6.142 -1.421 4.740 1.00 27.23 ? 50 ASP A OD2 1 ATOM 385 N N . GLN A 1 51 ? -5.808 -4.568 8.678 1.00 25.76 ? 51 GLN A N 1 ATOM 386 C CA . GLN A 1 51 ? -6.731 -5.482 9.344 1.00 26.69 ? 51 GLN A CA 1 ATOM 387 C C . GLN A 1 51 ? -8.212 -5.175 9.139 1.00 27.25 ? 51 GLN A C 1 ATOM 388 O O . GLN A 1 51 ? -9.076 -5.903 9.635 1.00 26.63 ? 51 GLN A O 1 ATOM 389 C CB . GLN A 1 51 ? -6.415 -5.505 10.841 1.00 28.61 ? 51 GLN A CB 1 ATOM 390 C CG . GLN A 1 51 ? -4.970 -5.854 11.154 1.00 31.38 ? 51 GLN A CG 1 ATOM 391 C CD . GLN A 1 51 ? -4.637 -7.296 10.830 1.00 34.73 ? 51 GLN A CD 1 ATOM 392 O OE1 . GLN A 1 51 ? -3.520 -7.753 11.066 1.00 37.50 ? 51 GLN A OE1 1 ATOM 393 N NE2 . GLN A 1 51 ? -5.608 -8.025 10.286 1.00 37.92 ? 51 GLN A NE2 1 ATOM 394 N N . GLY A 1 52 ? -8.509 -4.097 8.421 1.00 27.47 ? 52 GLY A N 1 ATOM 395 C CA . GLY A 1 52 ? -9.897 -3.747 8.178 1.00 28.66 ? 52 GLY A CA 1 ATOM 396 C C . GLY A 1 52 ? -10.488 -2.958 9.326 1.00 29.81 ? 52 GLY A C 1 ATOM 397 O O . GLY A 1 52 ? -9.771 -2.564 10.241 1.00 28.45 ? 52 GLY A O 1 ATOM 398 N N . THR A 1 53 ? -11.798 -2.736 9.288 1.00 30.13 ? 53 THR A N 1 ATOM 399 C CA . THR A 1 53 ? -12.472 -1.974 10.334 1.00 31.53 ? 53 THR A CA 1 ATOM 400 C C . THR A 1 53 ? -12.918 -2.854 11.495 1.00 30.91 ? 53 THR A C 1 ATOM 401 O O . THR A 1 53 ? -13.566 -3.886 11.299 1.00 30.40 ? 53 THR A O 1 ATOM 402 C CB . THR A 1 53 ? -13.694 -1.221 9.765 1.00 33.34 ? 53 THR A CB 1 ATOM 403 O OG1 . THR A 1 53 ? -13.249 -0.260 8.799 1.00 36.07 ? 53 THR A OG1 1 ATOM 404 C CG2 . THR A 1 53 ? -14.448 -0.495 10.878 1.00 34.99 ? 53 THR A CG2 1 ATOM 405 N N . ARG A 1 54 ? -12.560 -2.432 12.705 1.00 29.99 ? 54 ARG A N 1 ATOM 406 C CA . ARG A 1 54 ? -12.905 -3.160 13.925 1.00 28.93 ? 54 ARG A CA 1 ATOM 407 C C . ARG A 1 54 ? -13.125 -2.205 15.092 1.00 26.40 ? 54 ARG A C 1 ATOM 408 O O . ARG A 1 54 ? -12.837 -1.006 15.002 1.00 23.83 ? 54 ARG A O 1 ATOM 409 C CB . ARG A 1 54 ? -11.778 -4.109 14.324 1.00 31.18 ? 54 ARG A CB 1 ATOM 410 C CG . ARG A 1 54 ? -11.355 -5.072 13.261 1.00 37.65 ? 54 ARG A CG 1 ATOM 411 C CD . ARG A 1 54 ? -10.185 -5.885 13.749 1.00 40.74 ? 54 ARG A CD 1 ATOM 412 N NE . ARG A 1 54 ? -9.805 -6.894 12.773 1.00 45.55 ? 54 ARG A NE 1 ATOM 413 C CZ . ARG A 1 54 ? -8.819 -7.764 12.949 1.00 47.25 ? 54 ARG A CZ 1 ATOM 414 N NH1 . ARG A 1 54 ? -8.111 -7.746 14.070 1.00 49.57 ? 54 ARG A NH1 1 ATOM 415 N NH2 . ARG A 1 54 ? -8.543 -8.647 12.002 1.00 47.96 ? 54 ARG A NH2 1 ATOM 416 N N . ASP A 1 55 ? -13.622 -2.752 16.194 1.00 24.02 ? 55 ASP A N 1 ATOM 417 C CA . ASP A 1 55 ? -13.833 -1.957 17.390 1.00 24.32 ? 55 ASP A CA 1 ATOM 418 C C . ASP A 1 55 ? -12.498 -1.751 18.101 1.00 22.32 ? 55 ASP A C 1 ATOM 419 O O . ASP A 1 55 ? -11.732 -2.693 18.287 1.00 21.82 ? 55 ASP A O 1 ATOM 420 C CB . ASP A 1 55 ? -14.786 -2.662 18.350 1.00 27.37 ? 55 ASP A CB 1 ATOM 421 C CG . ASP A 1 55 ? -16.226 -2.584 17.903 1.00 30.91 ? 55 ASP A CG 1 ATOM 422 O OD1 . ASP A 1 55 ? -16.612 -1.559 17.300 1.00 32.68 ? 55 ASP A OD1 1 ATOM 423 O OD2 . ASP A 1 55 ? -16.971 -3.543 18.178 1.00 34.10 ? 55 ASP A OD2 1 ATOM 424 N N . VAL A 1 56 ? -12.226 -0.513 18.486 1.00 21.19 ? 56 VAL A N 1 ATOM 425 C CA . VAL A 1 56 ? -11.010 -0.190 19.213 1.00 20.69 ? 56 VAL A CA 1 ATOM 426 C C . VAL A 1 56 ? -11.405 0.602 20.456 1.00 20.02 ? 56 VAL A C 1 ATOM 427 O O . VAL A 1 56 ? -12.311 1.436 20.406 1.00 21.68 ? 56 VAL A O 1 ATOM 428 C CB . VAL A 1 56 ? -10.038 0.653 18.357 1.00 20.65 ? 56 VAL A CB 1 ATOM 429 C CG1 . VAL A 1 56 ? -9.579 -0.162 17.153 1.00 17.07 ? 56 VAL A CG1 1 ATOM 430 C CG2 . VAL A 1 56 ? -10.710 1.946 17.905 1.00 19.52 ? 56 VAL A CG2 1 ATOM 431 N N . ILE A 1 57 ? -10.753 0.304 21.573 1.00 18.94 ? 57 ILE A N 1 ATOM 432 C CA . ILE A 1 57 ? -11.006 1.005 22.824 1.00 18.12 ? 57 ILE A CA 1 ATOM 433 C C . ILE A 1 57 ? -9.877 2.006 23.005 1.00 19.43 ? 57 ILE A C 1 ATOM 434 O O . ILE A 1 57 ? -8.834 1.908 22.340 1.00 15.83 ? 57 ILE A O 1 ATOM 435 C CB . ILE A 1 57 ? -11.023 0.046 24.032 1.00 19.16 ? 57 ILE A CB 1 ATOM 436 C CG1 . ILE A 1 57 ? -9.686 -0.688 24.149 1.00 19.37 ? 57 ILE A CG1 1 ATOM 437 C CG2 . ILE A 1 57 ? -12.170 -0.939 23.891 1.00 20.05 ? 57 ILE A CG2 1 ATOM 438 C CD1 . ILE A 1 57 ? -9.565 -1.555 25.396 1.00 17.81 ? 57 ILE A CD1 1 ATOM 439 N N . GLY A 1 58 ? -10.085 2.975 23.887 1.00 17.68 ? 58 GLY A N 1 ATOM 440 C CA . GLY A 1 58 ? -9.061 3.970 24.113 1.00 16.25 ? 58 GLY A CA 1 ATOM 441 C C . GLY A 1 58 ? -8.505 3.949 25.523 1.00 16.23 ? 58 GLY A C 1 ATOM 442 O O . GLY A 1 58 ? -9.254 3.838 26.501 1.00 17.54 ? 58 GLY A O 1 ATOM 443 N N . LEU A 1 59 ? -7.184 4.027 25.632 1.00 14.55 ? 59 LEU A N 1 ATOM 444 C CA . LEU A 1 59 ? -6.538 4.057 26.935 1.00 15.86 ? 59 LEU A CA 1 ATOM 445 C C . LEU A 1 59 ? -5.923 5.440 27.090 1.00 16.51 ? 59 LEU A C 1 ATOM 446 O O . LEU A 1 59 ? -4.874 5.721 26.515 1.00 17.08 ? 59 LEU A O 1 ATOM 447 C CB . LEU A 1 59 ? -5.440 2.996 27.036 1.00 17.08 ? 59 LEU A CB 1 ATOM 448 C CG . LEU A 1 59 ? -5.886 1.541 26.871 1.00 18.33 ? 59 LEU A CG 1 ATOM 449 C CD1 . LEU A 1 59 ? -4.681 0.628 26.977 1.00 21.05 ? 59 LEU A CD1 1 ATOM 450 C CD2 . LEU A 1 59 ? -6.912 1.190 27.934 1.00 19.42 ? 59 LEU A CD2 1 ATOM 451 N N . ARG A 1 60 ? -6.598 6.299 27.849 1.00 15.23 ? 60 ARG A N 1 ATOM 452 C CA . ARG A 1 60 ? -6.129 7.658 28.100 1.00 16.74 ? 60 ARG A CA 1 ATOM 453 C C . ARG A 1 60 ? -5.067 7.576 29.192 1.00 18.84 ? 60 ARG A C 1 ATOM 454 O O . ARG A 1 60 ? -5.350 7.121 30.300 1.00 18.69 ? 60 ARG A O 1 ATOM 455 C CB . ARG A 1 60 ? -7.293 8.536 28.571 1.00 17.69 ? 60 ARG A CB 1 ATOM 456 C CG . ARG A 1 60 ? -6.896 9.961 28.942 1.00 21.00 ? 60 ARG A CG 1 ATOM 457 C CD . ARG A 1 60 ? -6.467 10.759 27.725 1.00 22.75 ? 60 ARG A CD 1 ATOM 458 N NE . ARG A 1 60 ? -7.593 11.019 26.829 1.00 24.10 ? 60 ARG A NE 1 ATOM 459 C CZ . ARG A 1 60 ? -7.479 11.615 25.645 1.00 28.42 ? 60 ARG A CZ 1 ATOM 460 N NH1 . ARG A 1 60 ? -6.288 12.012 25.213 1.00 28.54 ? 60 ARG A NH1 1 ATOM 461 N NH2 . ARG A 1 60 ? -8.554 11.816 24.894 1.00 27.50 ? 60 ARG A NH2 1 ATOM 462 N N . ILE A 1 61 ? -3.852 8.022 28.884 1.00 19.25 ? 61 ILE A N 1 ATOM 463 C CA . ILE A 1 61 ? -2.760 7.946 29.850 1.00 21.51 ? 61 ILE A CA 1 ATOM 464 C C . ILE A 1 61 ? -2.477 9.257 30.565 1.00 23.38 ? 61 ILE A C 1 ATOM 465 O O . ILE A 1 61 ? -2.737 10.335 30.031 1.00 24.71 ? 61 ILE A O 1 ATOM 466 C CB . ILE A 1 61 ? -1.445 7.481 29.173 1.00 21.71 ? 61 ILE A CB 1 ATOM 467 C CG1 . ILE A 1 61 ? -1.686 6.188 28.389 1.00 23.91 ? 61 ILE A CG1 1 ATOM 468 C CG2 . ILE A 1 61 ? -0.371 7.235 30.228 1.00 20.26 ? 61 ILE A CG2 1 ATOM 469 C CD1 . ILE A 1 61 ? -2.263 5.061 29.218 1.00 24.59 ? 61 ILE A CD1 1 ATOM 470 N N . ALA A 1 62 ? -1.945 9.153 31.780 1.00 24.08 ? 62 ALA A N 1 ATOM 471 C CA . ALA A 1 62 ? -1.599 10.332 32.555 1.00 24.50 ? 62 ALA A CA 1 ATOM 472 C C . ALA A 1 62 ? -0.723 11.167 31.640 1.00 24.72 ? 62 ALA A C 1 ATOM 473 O O . ALA A 1 62 ? 0.220 10.661 31.046 1.00 24.18 ? 62 ALA A O 1 ATOM 474 C CB . ALA A 1 62 ? -0.833 9.938 33.808 1.00 24.97 ? 62 ALA A CB 1 ATOM 475 N N . GLY A 1 63 ? -1.046 12.447 31.515 1.00 26.69 ? 63 GLY A N 1 ATOM 476 C CA . GLY A 1 63 ? -0.274 13.305 30.638 1.00 27.26 ? 63 GLY A CA 1 ATOM 477 C C . GLY A 1 63 ? -1.157 13.778 29.502 1.00 28.40 ? 63 GLY A C 1 ATOM 478 O O . GLY A 1 63 ? -0.956 14.865 28.957 1.00 30.49 ? 63 GLY A O 1 ATOM 479 N N . GLY A 1 64 ? -2.140 12.955 29.143 1.00 27.75 ? 64 GLY A N 1 ATOM 480 C CA . GLY A 1 64 ? -3.055 13.321 28.078 1.00 25.60 ? 64 GLY A CA 1 ATOM 481 C C . GLY A 1 64 ? -3.047 12.457 26.827 1.00 24.11 ? 64 GLY A C 1 ATOM 482 O O . GLY A 1 64 ? -3.983 12.526 26.038 1.00 25.52 ? 64 GLY A O 1 ATOM 483 N N . ALA A 1 65 ? -2.012 11.648 26.626 1.00 23.82 ? 65 ALA A N 1 ATOM 484 C CA . ALA A 1 65 ? -1.957 10.800 25.432 1.00 23.00 ? 65 ALA A CA 1 ATOM 485 C C . ALA A 1 65 ? -3.059 9.739 25.449 1.00 23.10 ? 65 ALA A C 1 ATOM 486 O O . ALA A 1 65 ? -3.588 9.392 26.504 1.00 20.42 ? 65 ALA A O 1 ATOM 487 C CB . ALA A 1 65 ? -0.597 10.126 25.327 1.00 25.12 ? 65 ALA A CB 1 ATOM 488 N N . ILE A 1 66 ? -3.416 9.234 24.275 1.00 21.94 ? 66 ILE A N 1 ATOM 489 C CA . ILE A 1 66 ? -4.439 8.203 24.199 1.00 22.15 ? 66 ILE A CA 1 ATOM 490 C C . ILE A 1 66 ? -4.153 7.183 23.110 1.00 21.09 ? 66 ILE A C 1 ATOM 491 O O . ILE A 1 66 ? -3.907 7.535 21.955 1.00 21.73 ? 66 ILE A O 1 ATOM 492 C CB . ILE A 1 66 ? -5.845 8.800 23.978 1.00 23.01 ? 66 ILE A CB 1 ATOM 493 C CG1 . ILE A 1 66 ? -6.881 7.673 23.986 1.00 22.73 ? 66 ILE A CG1 1 ATOM 494 C CG2 . ILE A 1 66 ? -5.892 9.567 22.671 1.00 23.72 ? 66 ILE A CG2 1 ATOM 495 C CD1 . ILE A 1 66 ? -8.317 8.147 24.133 1.00 25.85 ? 66 ILE A CD1 1 ATOM 496 N N . LEU A 1 67 ? -4.173 5.911 23.499 1.00 19.52 ? 67 LEU A N 1 ATOM 497 C CA . LEU A 1 67 ? -3.926 4.809 22.578 1.00 19.77 ? 67 LEU A CA 1 ATOM 498 C C . LEU A 1 67 ? -5.239 4.133 22.211 1.00 18.13 ? 67 LEU A C 1 ATOM 499 O O . LEU A 1 67 ? -6.025 3.781 23.086 1.00 18.71 ? 67 LEU A O 1 ATOM 500 C CB . LEU A 1 67 ? -3.000 3.776 23.229 1.00 20.49 ? 67 LEU A CB 1 ATOM 501 C CG . LEU A 1 67 ? -2.756 2.463 22.478 1.00 21.35 ? 67 LEU A CG 1 ATOM 502 C CD1 . LEU A 1 67 ? -1.818 2.710 21.305 1.00 24.14 ? 67 LEU A CD1 1 ATOM 503 C CD2 . LEU A 1 67 ? -2.156 1.436 23.428 1.00 22.93 ? 67 LEU A CD2 1 ATOM 504 N N . TRP A 1 68 ? -5.483 3.979 20.914 1.00 17.12 ? 68 TRP A N 1 ATOM 505 C CA . TRP A 1 68 ? -6.683 3.314 20.438 1.00 18.15 ? 68 TRP A CA 1 ATOM 506 C C . TRP A 1 68 ? -6.273 1.989 19.798 1.00 18.06 ? 68 TRP A C 1 ATOM 507 O O . TRP A 1 68 ? -5.587 1.965 18.772 1.00 18.25 ? 68 TRP A O 1 ATOM 508 C CB . TRP A 1 68 ? -7.425 4.182 19.415 1.00 17.58 ? 68 TRP A CB 1 ATOM 509 C CG . TRP A 1 68 ? -8.069 5.392 20.008 1.00 19.25 ? 68 TRP A CG 1 ATOM 510 C CD1 . TRP A 1 68 ? -7.567 6.664 20.037 1.00 17.57 ? 68 TRP A CD1 1 ATOM 511 C CD2 . TRP A 1 68 ? -9.349 5.449 20.655 1.00 17.32 ? 68 TRP A CD2 1 ATOM 512 N NE1 . TRP A 1 68 ? -8.459 7.509 20.661 1.00 18.06 ? 68 TRP A NE1 1 ATOM 513 C CE2 . TRP A 1 68 ? -9.558 6.789 21.052 1.00 18.60 ? 68 TRP A CE2 1 ATOM 514 C CE3 . TRP A 1 68 ? -10.335 4.498 20.940 1.00 17.32 ? 68 TRP A CE3 1 ATOM 515 C CZ2 . TRP A 1 68 ? -10.719 7.202 21.718 1.00 17.85 ? 68 TRP A CZ2 1 ATOM 516 C CZ3 . TRP A 1 68 ? -11.495 4.910 21.608 1.00 17.53 ? 68 TRP A CZ3 1 ATOM 517 C CH2 . TRP A 1 68 ? -11.673 6.253 21.987 1.00 18.40 ? 68 TRP A CH2 1 ATOM 518 N N . ALA A 1 69 ? -6.681 0.888 20.415 1.00 16.39 ? 69 ALA A N 1 ATOM 519 C CA . ALA A 1 69 ? -6.342 -0.432 19.907 1.00 16.75 ? 69 ALA A CA 1 ATOM 520 C C . ALA A 1 69 ? -7.494 -1.385 20.149 1.00 17.06 ? 69 ALA A C 1 ATOM 521 O O . ALA A 1 69 ? -8.417 -1.075 20.905 1.00 17.81 ? 69 ALA A O 1 ATOM 522 C CB . ALA A 1 69 ? -5.089 -0.945 20.606 1.00 16.40 ? 69 ALA A CB 1 ATOM 523 N N . THR A 1 70 ? -7.455 -2.544 19.499 1.00 18.78 ? 70 THR A N 1 ATOM 524 C CA . THR A 1 70 ? -8.496 -3.540 19.708 1.00 19.13 ? 70 THR A CA 1 ATOM 525 C C . THR A 1 70 ? -8.337 -4.014 21.151 1.00 20.01 ? 70 THR A C 1 ATOM 526 O O . THR A 1 70 ? -7.251 -3.910 21.731 1.00 21.08 ? 70 THR A O 1 ATOM 527 C CB . THR A 1 70 ? -8.333 -4.737 18.749 1.00 20.15 ? 70 THR A CB 1 ATOM 528 O OG1 . THR A 1 70 ? -6.981 -5.207 18.799 1.00 20.67 ? 70 THR A OG1 1 ATOM 529 C CG2 . THR A 1 70 ? -8.670 -4.328 17.323 1.00 20.23 ? 70 THR A CG2 1 ATOM 530 N N . PRO A 1 71 ? -9.413 -4.529 21.759 1.00 20.08 ? 71 PRO A N 1 ATOM 531 C CA . PRO A 1 71 ? -9.304 -4.992 23.147 1.00 20.52 ? 71 PRO A CA 1 ATOM 532 C C . PRO A 1 71 ? -8.317 -6.133 23.363 1.00 20.05 ? 71 PRO A C 1 ATOM 533 O O . PRO A 1 71 ? -7.854 -6.356 24.483 1.00 19.58 ? 71 PRO A O 1 ATOM 534 C CB . PRO A 1 71 ? -10.740 -5.386 23.497 1.00 21.67 ? 71 PRO A CB 1 ATOM 535 C CG . PRO A 1 71 ? -11.319 -5.767 22.187 1.00 22.23 ? 71 PRO A CG 1 ATOM 536 C CD . PRO A 1 71 ? -10.785 -4.702 21.257 1.00 20.67 ? 71 PRO A CD 1 ATOM 537 N N . ASP A 1 72 ? -7.981 -6.854 22.298 1.00 20.15 ? 72 ASP A N 1 ATOM 538 C CA . ASP A 1 72 ? -7.053 -7.961 22.445 1.00 20.20 ? 72 ASP A CA 1 ATOM 539 C C . ASP A 1 72 ? -5.609 -7.589 22.130 1.00 19.73 ? 72 ASP A C 1 ATOM 540 O O . ASP A 1 72 ? -4.723 -8.439 22.193 1.00 20.16 ? 72 ASP A O 1 ATOM 541 C CB . ASP A 1 72 ? -7.504 -9.155 21.590 1.00 21.56 ? 72 ASP A CB 1 ATOM 542 C CG . ASP A 1 72 ? -7.534 -8.847 20.101 1.00 22.64 ? 72 ASP A CG 1 ATOM 543 O OD1 . ASP A 1 72 ? -7.596 -7.657 19.717 1.00 24.74 ? 72 ASP A OD1 1 ATOM 544 O OD2 . ASP A 1 72 ? -7.513 -9.808 19.310 1.00 22.99 ? 72 ASP A OD2 1 ATOM 545 N N . HIS A 1 73 ? -5.357 -6.322 21.805 1.00 17.55 ? 73 HIS A N 1 ATOM 546 C CA . HIS A 1 73 ? -3.986 -5.916 21.503 1.00 18.97 ? 73 HIS A CA 1 ATOM 547 C C . HIS A 1 73 ? -3.193 -5.894 22.808 1.00 18.68 ? 73 HIS A C 1 ATOM 548 O O . HIS A 1 73 ? -3.669 -5.376 23.823 1.00 18.60 ? 73 HIS A O 1 ATOM 549 C CB . HIS A 1 73 ? -3.938 -4.532 20.857 1.00 20.20 ? 73 HIS A CB 1 ATOM 550 C CG . HIS A 1 73 ? -2.663 -4.269 20.116 1.00 20.08 ? 73 HIS A CG 1 ATOM 551 N ND1 . HIS A 1 73 ? -2.466 -4.668 18.810 1.00 20.82 ? 73 HIS A ND1 1 ATOM 552 C CD2 . HIS A 1 73 ? -1.491 -3.726 20.523 1.00 21.49 ? 73 HIS A CD2 1 ATOM 553 C CE1 . HIS A 1 73 ? -1.228 -4.385 18.447 1.00 21.81 ? 73 HIS A CE1 1 ATOM 554 N NE2 . HIS A 1 73 ? -0.614 -3.813 19.468 1.00 21.43 ? 73 HIS A NE2 1 ATOM 555 N N . LYS A 1 74 ? -1.989 -6.454 22.781 1.00 19.08 ? 74 LYS A N 1 ATOM 556 C CA . LYS A 1 74 ? -1.157 -6.519 23.974 1.00 20.02 ? 74 LYS A CA 1 ATOM 557 C C . LYS A 1 74 ? -0.336 -5.258 24.248 1.00 18.54 ? 74 LYS A C 1 ATOM 558 O O . LYS A 1 74 ? 0.250 -4.669 23.344 1.00 18.05 ? 74 LYS A O 1 ATOM 559 C CB . LYS A 1 74 ? -0.237 -7.747 23.900 1.00 22.54 ? 74 LYS A CB 1 ATOM 560 C CG . LYS A 1 74 ? -0.999 -9.062 23.899 1.00 25.01 ? 74 LYS A CG 1 ATOM 561 C CD . LYS A 1 74 ? -0.068 -10.257 23.840 1.00 28.97 ? 74 LYS A CD 1 ATOM 562 C CE . LYS A 1 74 ? -0.857 -11.551 23.698 1.00 31.12 ? 74 LYS A CE 1 ATOM 563 N NZ . LYS A 1 74 ? -1.695 -11.599 22.454 1.00 29.71 ? 74 LYS A NZ 1 ATOM 564 N N . VAL A 1 75 ? -0.308 -4.868 25.518 1.00 17.65 ? 75 VAL A N 1 ATOM 565 C CA . VAL A 1 75 ? 0.408 -3.687 25.976 1.00 17.24 ? 75 VAL A CA 1 ATOM 566 C C . VAL A 1 75 ? 1.365 -4.104 27.088 1.00 16.84 ? 75 VAL A C 1 ATOM 567 O O . VAL A 1 75 ? 1.023 -4.969 27.898 1.00 18.87 ? 75 VAL A O 1 ATOM 568 C CB . VAL A 1 75 ? -0.583 -2.645 26.561 1.00 18.09 ? 75 VAL A CB 1 ATOM 569 C CG1 . VAL A 1 75 ? 0.151 -1.356 26.904 1.00 15.67 ? 75 VAL A CG1 1 ATOM 570 C CG2 . VAL A 1 75 ? -1.722 -2.385 25.578 1.00 18.69 ? 75 VAL A CG2 1 ATOM 571 N N . LEU A 1 76 ? 2.558 -3.513 27.128 1.00 15.90 ? 76 LEU A N 1 ATOM 572 C CA . LEU A 1 76 ? 3.512 -3.828 28.198 1.00 17.64 ? 76 LEU A CA 1 ATOM 573 C C . LEU A 1 76 ? 3.104 -3.010 29.426 1.00 16.71 ? 76 LEU A C 1 ATOM 574 O O . LEU A 1 76 ? 3.033 -1.780 29.373 1.00 17.37 ? 76 LEU A O 1 ATOM 575 C CB . LEU A 1 76 ? 4.950 -3.469 27.791 1.00 16.96 ? 76 LEU A CB 1 ATOM 576 C CG . LEU A 1 76 ? 6.006 -3.581 28.900 1.00 16.33 ? 76 LEU A CG 1 ATOM 577 C CD1 . LEU A 1 76 ? 5.986 -4.990 29.492 1.00 19.46 ? 76 LEU A CD1 1 ATOM 578 C CD2 . LEU A 1 76 ? 7.382 -3.260 28.342 1.00 14.46 ? 76 LEU A CD2 1 ATOM 579 N N . THR A 1 77 ? 2.838 -3.693 30.527 1.00 17.48 ? 77 THR A N 1 ATOM 580 C CA . THR A 1 77 ? 2.414 -3.017 31.742 1.00 20.02 ? 77 THR A CA 1 ATOM 581 C C . THR A 1 77 ? 3.341 -3.365 32.898 1.00 20.05 ? 77 THR A C 1 ATOM 582 O O . THR A 1 77 ? 4.266 -4.163 32.744 1.00 19.50 ? 77 THR A O 1 ATOM 583 C CB . THR A 1 77 ? 0.981 -3.432 32.129 1.00 18.73 ? 77 THR A CB 1 ATOM 584 O OG1 . THR A 1 77 ? 0.999 -4.763 32.656 1.00 18.11 ? 77 THR A OG1 1 ATOM 585 C CG2 . THR A 1 77 ? 0.071 -3.408 30.906 1.00 19.99 ? 77 THR A CG2 1 ATOM 586 N N . GLU A 1 78 ? 3.075 -2.765 34.053 1.00 20.28 ? 78 GLU A N 1 ATOM 587 C CA . GLU A 1 78 ? 3.864 -3.000 35.258 1.00 21.23 ? 78 GLU A CA 1 ATOM 588 C C . GLU A 1 78 ? 3.790 -4.466 35.689 1.00 23.65 ? 78 GLU A C 1 ATOM 589 O O . GLU A 1 78 ? 4.622 -4.939 36.462 1.00 24.55 ? 78 GLU A O 1 ATOM 590 C CB . GLU A 1 78 ? 3.347 -2.115 36.384 1.00 23.03 ? 78 GLU A CB 1 ATOM 591 C CG . GLU A 1 78 ? 1.843 -2.218 36.558 1.00 21.66 ? 78 GLU A CG 1 ATOM 592 C CD . GLU A 1 78 ? 1.336 -1.429 37.736 1.00 22.38 ? 78 GLU A CD 1 ATOM 593 O OE1 . GLU A 1 78 ? 0.120 -1.146 37.763 1.00 22.34 ? 78 GLU A OE1 1 ATOM 594 O OE2 . GLU A 1 78 ? 2.145 -1.106 38.635 1.00 22.53 ? 78 GLU A OE2 1 ATOM 595 N N . TYR A 1 79 ? 2.787 -5.182 35.196 1.00 23.61 ? 79 TYR A N 1 ATOM 596 C CA . TYR A 1 79 ? 2.641 -6.587 35.542 1.00 25.40 ? 79 TYR A CA 1 ATOM 597 C C . TYR A 1 79 ? 2.855 -7.487 34.325 1.00 25.93 ? 79 TYR A C 1 ATOM 598 O O . TYR A 1 79 ? 2.379 -8.626 34.285 1.00 26.51 ? 79 TYR A O 1 ATOM 599 C CB . TYR A 1 79 ? 1.265 -6.824 36.169 1.00 25.74 ? 79 TYR A CB 1 ATOM 600 C CG . TYR A 1 79 ? 1.029 -5.973 37.400 1.00 27.48 ? 79 TYR A CG 1 ATOM 601 C CD1 . TYR A 1 79 ? 1.913 -6.017 38.487 1.00 27.96 ? 79 TYR A CD1 1 ATOM 602 C CD2 . TYR A 1 79 ? -0.068 -5.114 37.476 1.00 27.32 ? 79 TYR A CD2 1 ATOM 603 C CE1 . TYR A 1 79 ? 1.705 -5.221 39.621 1.00 28.58 ? 79 TYR A CE1 1 ATOM 604 C CE2 . TYR A 1 79 ? -0.286 -4.317 38.604 1.00 28.13 ? 79 TYR A CE2 1 ATOM 605 C CZ . TYR A 1 79 ? 0.602 -4.374 39.670 1.00 29.14 ? 79 TYR A CZ 1 ATOM 606 O OH . TYR A 1 79 ? 0.377 -3.590 40.779 1.00 27.91 ? 79 TYR A OH 1 ATOM 607 N N . GLY A 1 80 ? 3.585 -6.967 33.340 1.00 25.39 ? 80 GLY A N 1 ATOM 608 C CA . GLY A 1 80 ? 3.870 -7.726 32.134 1.00 25.21 ? 80 GLY A CA 1 ATOM 609 C C . GLY A 1 80 ? 2.934 -7.419 30.982 1.00 25.15 ? 80 GLY A C 1 ATOM 610 O O . GLY A 1 80 ? 2.187 -6.445 31.022 1.00 25.18 ? 80 GLY A O 1 ATOM 611 N N . TRP A 1 81 ? 2.974 -8.252 29.948 1.00 25.44 ? 81 TRP A N 1 ATOM 612 C CA . TRP A 1 81 ? 2.119 -8.055 28.782 1.00 24.91 ? 81 TRP A CA 1 ATOM 613 C C . TRP A 1 81 ? 0.679 -8.420 29.091 1.00 23.62 ? 81 TRP A C 1 ATOM 614 O O . TRP A 1 81 ? 0.402 -9.477 29.659 1.00 22.50 ? 81 TRP A O 1 ATOM 615 C CB . TRP A 1 81 ? 2.616 -8.886 27.600 1.00 26.09 ? 81 TRP A CB 1 ATOM 616 C CG . TRP A 1 81 ? 3.908 -8.403 27.073 1.00 28.28 ? 81 TRP A CG 1 ATOM 617 C CD1 . TRP A 1 81 ? 5.150 -8.847 27.417 1.00 29.34 ? 81 TRP A CD1 1 ATOM 618 C CD2 . TRP A 1 81 ? 4.104 -7.327 26.149 1.00 29.57 ? 81 TRP A CD2 1 ATOM 619 N NE1 . TRP A 1 81 ? 6.112 -8.110 26.763 1.00 30.84 ? 81 TRP A NE1 1 ATOM 620 C CE2 . TRP A 1 81 ? 5.496 -7.170 25.980 1.00 30.00 ? 81 TRP A CE2 1 ATOM 621 C CE3 . TRP A 1 81 ? 3.237 -6.476 25.448 1.00 31.04 ? 81 TRP A CE3 1 ATOM 622 C CZ2 . TRP A 1 81 ? 6.045 -6.195 25.135 1.00 30.69 ? 81 TRP A CZ2 1 ATOM 623 C CZ3 . TRP A 1 81 ? 3.786 -5.504 24.607 1.00 31.12 ? 81 TRP A CZ3 1 ATOM 624 C CH2 . TRP A 1 81 ? 5.177 -5.375 24.461 1.00 29.67 ? 81 TRP A CH2 1 ATOM 625 N N . ARG A 1 82 ? -0.238 -7.535 28.716 1.00 23.50 ? 82 ARG A N 1 ATOM 626 C CA . ARG A 1 82 ? -1.659 -7.760 28.957 1.00 23.88 ? 82 ARG A CA 1 ATOM 627 C C . ARG A 1 82 ? -2.525 -7.134 27.870 1.00 22.82 ? 82 ARG A C 1 ATOM 628 O O . ARG A 1 82 ? -2.191 -6.074 27.326 1.00 21.18 ? 82 ARG A O 1 ATOM 629 C CB . ARG A 1 82 ? -2.074 -7.171 30.310 1.00 24.88 ? 82 ARG A CB 1 ATOM 630 C CG . ARG A 1 82 ? -1.427 -7.816 31.513 1.00 28.97 ? 82 ARG A CG 1 ATOM 631 C CD . ARG A 1 82 ? -1.972 -7.213 32.796 1.00 31.90 ? 82 ARG A CD 1 ATOM 632 N NE . ARG A 1 82 ? -3.380 -7.539 33.009 1.00 33.94 ? 82 ARG A NE 1 ATOM 633 C CZ . ARG A 1 82 ? -4.126 -7.033 33.989 1.00 36.91 ? 82 ARG A CZ 1 ATOM 634 N NH1 . ARG A 1 82 ? -3.604 -6.165 34.851 1.00 35.56 ? 82 ARG A NH1 1 ATOM 635 N NH2 . ARG A 1 82 ? -5.394 -7.408 34.121 1.00 37.76 ? 82 ARG A NH2 1 ATOM 636 N N . ALA A 1 83 ? -3.648 -7.784 27.572 1.00 20.99 ? 83 ALA A N 1 ATOM 637 C CA . ALA A 1 83 ? -4.574 -7.286 26.567 1.00 20.26 ? 83 ALA A CA 1 ATOM 638 C C . ALA A 1 83 ? -5.132 -5.945 27.033 1.00 19.77 ? 83 ALA A C 1 ATOM 639 O O . ALA A 1 83 ? -5.482 -5.779 28.208 1.00 19.21 ? 83 ALA A O 1 ATOM 640 C CB . ALA A 1 83 ? -5.706 -8.285 26.354 1.00 20.10 ? 83 ALA A CB 1 ATOM 641 N N . ALA A 1 84 ? -5.192 -4.991 26.109 1.00 17.99 ? 84 ALA A N 1 ATOM 642 C CA . ALA A 1 84 ? -5.691 -3.649 26.394 1.00 18.39 ? 84 ALA A CA 1 ATOM 643 C C . ALA A 1 84 ? -7.057 -3.707 27.066 1.00 17.21 ? 84 ALA A C 1 ATOM 644 O O . ALA A 1 84 ? -7.349 -2.922 27.963 1.00 16.24 ? 84 ALA A O 1 ATOM 645 C CB . ALA A 1 84 ? -5.780 -2.846 25.098 1.00 16.84 ? 84 ALA A CB 1 ATOM 646 N N . GLY A 1 85 ? -7.882 -4.650 26.624 1.00 16.98 ? 85 GLY A N 1 ATOM 647 C CA . GLY A 1 85 ? -9.216 -4.809 27.173 1.00 18.62 ? 85 GLY A CA 1 ATOM 648 C C . GLY A 1 85 ? -9.296 -5.225 28.632 1.00 18.48 ? 85 GLY A C 1 ATOM 649 O O . GLY A 1 85 ? -10.362 -5.129 29.235 1.00 21.64 ? 85 GLY A O 1 ATOM 650 N N . GLU A 1 86 ? -8.193 -5.691 29.211 1.00 19.76 ? 86 GLU A N 1 ATOM 651 C CA . GLU A 1 86 ? -8.214 -6.093 30.616 1.00 22.18 ? 86 GLU A CA 1 ATOM 652 C C . GLU A 1 86 ? -7.733 -4.955 31.518 1.00 21.30 ? 86 GLU A C 1 ATOM 653 O O . GLU A 1 86 ? -7.916 -4.992 32.735 1.00 20.80 ? 86 GLU A O 1 ATOM 654 C CB . GLU A 1 86 ? -7.325 -7.316 30.840 1.00 23.70 ? 86 GLU A CB 1 ATOM 655 C CG . GLU A 1 86 ? -7.534 -8.430 29.838 1.00 28.68 ? 86 GLU A CG 1 ATOM 656 C CD . GLU A 1 86 ? -6.689 -9.647 30.141 1.00 33.60 ? 86 GLU A CD 1 ATOM 657 O OE1 . GLU A 1 86 ? -5.564 -9.477 30.659 1.00 35.84 ? 86 GLU A OE1 1 ATOM 658 O OE2 . GLU A 1 86 ? -7.142 -10.776 29.850 1.00 37.23 ? 86 GLU A OE2 1 ATOM 659 N N . LEU A 1 87 ? -7.130 -3.939 30.913 1.00 20.88 ? 87 LEU A N 1 ATOM 660 C CA . LEU A 1 87 ? -6.594 -2.807 31.666 1.00 22.00 ? 87 LEU A CA 1 ATOM 661 C C . LEU A 1 87 ? -7.670 -1.849 32.177 1.00 21.77 ? 87 LEU A C 1 ATOM 662 O O . LEU A 1 87 ? -8.691 -1.620 31.521 1.00 21.56 ? 87 LEU A O 1 ATOM 663 C CB . LEU A 1 87 ? -5.564 -2.061 30.810 1.00 19.67 ? 87 LEU A CB 1 ATOM 664 C CG . LEU A 1 87 ? -4.498 -3.002 30.227 1.00 20.54 ? 87 LEU A CG 1 ATOM 665 C CD1 . LEU A 1 87 ? -3.518 -2.229 29.365 1.00 21.16 ? 87 LEU A CD1 1 ATOM 666 C CD2 . LEU A 1 87 ? -3.769 -3.708 31.356 1.00 19.50 ? 87 LEU A CD2 1 ATOM 667 N N . ARG A 1 88 ? -7.429 -1.302 33.364 1.00 21.68 ? 88 ARG A N 1 ATOM 668 C CA . ARG A 1 88 ? -8.367 -0.387 34.003 1.00 20.83 ? 88 ARG A CA 1 ATOM 669 C C . ARG A 1 88 ? -7.647 0.843 34.543 1.00 20.25 ? 88 ARG A C 1 ATOM 670 O O . ARG A 1 88 ? -6.421 0.860 34.653 1.00 19.39 ? 88 ARG A O 1 ATOM 671 C CB . ARG A 1 88 ? -9.077 -1.099 35.163 1.00 21.67 ? 88 ARG A CB 1 ATOM 672 C CG . ARG A 1 88 ? -9.809 -2.397 34.779 1.00 20.54 ? 88 ARG A CG 1 ATOM 673 C CD . ARG A 1 88 ? -11.141 -2.114 34.081 1.00 21.63 ? 88 ARG A CD 1 ATOM 674 N NE . ARG A 1 88 ? -11.887 -3.339 33.799 1.00 23.92 ? 88 ARG A NE 1 ATOM 675 C CZ . ARG A 1 88 ? -11.719 -4.098 32.719 1.00 23.95 ? 88 ARG A CZ 1 ATOM 676 N NH1 . ARG A 1 88 ? -10.830 -3.767 31.791 1.00 23.45 ? 88 ARG A NH1 1 ATOM 677 N NH2 . ARG A 1 88 ? -12.439 -5.200 32.571 1.00 23.84 ? 88 ARG A NH2 1 ATOM 678 N N . LYS A 1 89 ? -8.421 1.871 34.876 1.00 20.16 ? 89 LYS A N 1 ATOM 679 C CA . LYS A 1 89 ? -7.875 3.093 35.440 1.00 19.87 ? 89 LYS A CA 1 ATOM 680 C C . LYS A 1 89 ? -6.960 2.703 36.602 1.00 19.22 ? 89 LYS A C 1 ATOM 681 O O . LYS A 1 89 ? -7.314 1.852 37.426 1.00 17.59 ? 89 LYS A O 1 ATOM 682 C CB . LYS A 1 89 ? -9.012 3.977 35.953 1.00 20.88 ? 89 LYS A CB 1 ATOM 683 C CG . LYS A 1 89 ? -8.565 5.287 36.603 1.00 21.99 ? 89 LYS A CG 1 ATOM 684 C CD . LYS A 1 89 ? -9.768 6.040 37.180 1.00 25.18 ? 89 LYS A CD 1 ATOM 685 C CE . LYS A 1 89 ? -10.850 6.266 36.128 1.00 26.96 ? 89 LYS A CE 1 ATOM 686 N NZ . LYS A 1 89 ? -12.127 6.789 36.715 1.00 29.50 ? 89 LYS A NZ 1 ATOM 687 N N . GLY A 1 90 ? -5.782 3.314 36.663 1.00 17.85 ? 90 GLY A N 1 ATOM 688 C CA . GLY A 1 90 ? -4.857 2.996 37.735 1.00 19.41 ? 90 GLY A CA 1 ATOM 689 C C . GLY A 1 90 ? -3.718 2.088 37.297 1.00 19.29 ? 90 GLY A C 1 ATOM 690 O O . GLY A 1 90 ? -2.614 2.185 37.832 1.00 19.06 ? 90 GLY A O 1 ATOM 691 N N . ASP A 1 91 ? -3.973 1.197 36.340 1.00 19.42 ? 91 ASP A N 1 ATOM 692 C CA . ASP A 1 91 ? -2.920 0.308 35.852 1.00 20.45 ? 91 ASP A CA 1 ATOM 693 C C . ASP A 1 91 ? -1.862 1.159 35.154 1.00 20.66 ? 91 ASP A C 1 ATOM 694 O O . ASP A 1 91 ? -2.193 2.132 34.470 1.00 19.98 ? 91 ASP A O 1 ATOM 695 C CB . ASP A 1 91 ? -3.476 -0.723 34.859 1.00 21.12 ? 91 ASP A CB 1 ATOM 696 C CG . ASP A 1 91 ? -4.354 -1.773 35.525 1.00 22.21 ? 91 ASP A CG 1 ATOM 697 O OD1 . ASP A 1 91 ? -4.135 -2.074 36.718 1.00 21.75 ? 91 ASP A OD1 1 ATOM 698 O OD2 . ASP A 1 91 ? -5.256 -2.309 34.847 1.00 23.87 ? 91 ASP A OD2 1 ATOM 699 N N . ARG A 1 92 ? -0.592 0.806 35.330 1.00 20.73 ? 92 ARG A N 1 ATOM 700 C CA . ARG A 1 92 ? 0.486 1.567 34.698 1.00 19.51 ? 92 ARG A CA 1 ATOM 701 C C . ARG A 1 92 ? 1.047 0.860 33.475 1.00 18.73 ? 92 ARG A C 1 ATOM 702 O O . ARG A 1 92 ? 1.322 -0.342 33.508 1.00 17.40 ? 92 ARG A O 1 ATOM 703 C CB . ARG A 1 92 ? 1.609 1.831 35.697 1.00 20.94 ? 92 ARG A CB 1 ATOM 704 C CG . ARG A 1 92 ? 1.189 2.662 36.898 1.00 23.34 ? 92 ARG A CG 1 ATOM 705 C CD . ARG A 1 92 ? 2.394 2.959 37.769 1.00 24.90 ? 92 ARG A CD 1 ATOM 706 N NE . ARG A 1 92 ? 3.015 1.730 38.256 1.00 24.19 ? 92 ARG A NE 1 ATOM 707 C CZ . ARG A 1 92 ? 4.298 1.625 38.576 1.00 25.62 ? 92 ARG A CZ 1 ATOM 708 N NH1 . ARG A 1 92 ? 5.096 2.676 38.457 1.00 28.22 ? 92 ARG A NH1 1 ATOM 709 N NH2 . ARG A 1 92 ? 4.784 0.474 39.014 1.00 25.74 ? 92 ARG A NH2 1 ATOM 710 N N . VAL A 1 93 ? 1.207 1.613 32.392 1.00 16.69 ? 93 VAL A N 1 ATOM 711 C CA . VAL A 1 93 ? 1.729 1.068 31.148 1.00 16.83 ? 93 VAL A CA 1 ATOM 712 C C . VAL A 1 93 ? 3.120 1.626 30.857 1.00 18.72 ? 93 VAL A C 1 ATOM 713 O O . VAL A 1 93 ? 3.470 2.722 31.304 1.00 20.66 ? 93 VAL A O 1 ATOM 714 C CB . VAL A 1 93 ? 0.822 1.423 29.953 1.00 15.69 ? 93 VAL A CB 1 ATOM 715 C CG1 . VAL A 1 93 ? -0.592 0.890 30.186 1.00 16.82 ? 93 VAL A CG1 1 ATOM 716 C CG2 . VAL A 1 93 ? 0.800 2.945 29.769 1.00 12.43 ? 93 VAL A CG2 1 ATOM 717 N N . ALA A 1 94 ? 3.902 0.878 30.091 1.00 18.14 ? 94 ALA A N 1 ATOM 718 C CA . ALA A 1 94 ? 5.246 1.315 29.739 1.00 19.15 ? 94 ALA A CA 1 ATOM 719 C C . ALA A 1 94 ? 5.175 2.392 28.647 1.00 18.57 ? 94 ALA A C 1 ATOM 720 O O . ALA A 1 94 ? 4.544 2.189 27.605 1.00 16.49 ? 94 ALA A O 1 ATOM 721 C CB . ALA A 1 94 ? 6.068 0.125 29.262 1.00 17.43 ? 94 ALA A CB 1 ATOM 722 N N . VAL A 1 95 ? 5.800 3.541 28.900 1.00 19.00 ? 95 VAL A N 1 ATOM 723 C CA . VAL A 1 95 ? 5.811 4.636 27.933 1.00 21.41 ? 95 VAL A CA 1 ATOM 724 C C . VAL A 1 95 ? 7.217 5.199 27.709 1.00 21.94 ? 95 VAL A C 1 ATOM 725 O O . VAL A 1 95 ? 8.011 5.321 28.642 1.00 23.81 ? 95 VAL A O 1 ATOM 726 C CB . VAL A 1 95 ? 4.880 5.809 28.362 1.00 20.47 ? 95 VAL A CB 1 ATOM 727 C CG1 . VAL A 1 95 ? 3.507 5.278 28.770 1.00 19.07 ? 95 VAL A CG1 1 ATOM 728 C CG2 . VAL A 1 95 ? 5.518 6.603 29.491 1.00 22.74 ? 95 VAL A CG2 1 ATOM 729 N N . ARG A 1 96 ? 7.518 5.539 26.460 1.00 22.00 ? 96 ARG A N 1 ATOM 730 C CA . ARG A 1 96 ? 8.821 6.097 26.098 1.00 21.33 ? 96 ARG A CA 1 ATOM 731 C C . ARG A 1 96 ? 8.740 7.616 26.118 1.00 21.29 ? 96 ARG A C 1 ATOM 732 O O . ARG A 1 96 ? 7.900 8.196 25.438 1.00 19.63 ? 96 ARG A O 1 ATOM 733 C CB . ARG A 1 96 ? 9.216 5.634 24.692 1.00 20.57 ? 96 ARG A CB 1 ATOM 734 C CG . ARG A 1 96 ? 10.437 6.338 24.123 1.00 20.68 ? 96 ARG A CG 1 ATOM 735 C CD . ARG A 1 96 ? 10.695 5.933 22.675 1.00 17.96 ? 96 ARG A CD 1 ATOM 736 N NE . ARG A 1 96 ? 11.924 6.539 22.169 1.00 21.65 ? 96 ARG A NE 1 ATOM 737 C CZ . ARG A 1 96 ? 12.030 7.805 21.772 1.00 22.71 ? 96 ARG A CZ 1 ATOM 738 N NH1 . ARG A 1 96 ? 10.977 8.614 21.805 1.00 20.71 ? 96 ARG A NH1 1 ATOM 739 N NH2 . ARG A 1 96 ? 13.202 8.269 21.365 1.00 23.86 ? 96 ARG A NH2 1 ATOM 740 N N . ASP A 1 97 ? 9.608 8.268 26.885 1.00 23.76 ? 97 ASP A N 1 ATOM 741 C CA . ASP A 1 97 ? 9.581 9.728 26.938 1.00 26.65 ? 97 ASP A CA 1 ATOM 742 C C . ASP A 1 97 ? 9.907 10.304 25.567 1.00 27.92 ? 97 ASP A C 1 ATOM 743 O O . ASP A 1 97 ? 10.951 9.999 24.990 1.00 26.41 ? 97 ASP A O 1 ATOM 744 C CB . ASP A 1 97 ? 10.589 10.268 27.947 1.00 28.95 ? 97 ASP A CB 1 ATOM 745 C CG . ASP A 1 97 ? 10.356 11.732 28.253 1.00 32.40 ? 97 ASP A CG 1 ATOM 746 O OD1 . ASP A 1 97 ? 9.528 12.024 29.142 1.00 35.15 ? 97 ASP A OD1 1 ATOM 747 O OD2 . ASP A 1 97 ? 10.977 12.590 27.593 1.00 31.90 ? 97 ASP A OD2 1 ATOM 748 N N . VAL A 1 98 ? 9.015 11.145 25.054 1.00 31.12 ? 98 VAL A N 1 ATOM 749 C CA . VAL A 1 98 ? 9.198 11.748 23.741 1.00 34.18 ? 98 VAL A CA 1 ATOM 750 C C . VAL A 1 98 ? 10.404 12.682 23.691 1.00 36.57 ? 98 VAL A C 1 ATOM 751 O O . VAL A 1 98 ? 10.957 12.936 22.619 1.00 39.01 ? 98 VAL A O 1 ATOM 752 C CB . VAL A 1 98 ? 7.942 12.540 23.314 1.00 35.64 ? 98 VAL A CB 1 ATOM 753 C CG1 . VAL A 1 98 ? 7.866 13.864 24.073 1.00 36.23 ? 98 VAL A CG1 1 ATOM 754 C CG2 . VAL A 1 98 ? 7.962 12.774 21.817 1.00 37.81 ? 98 VAL A CG2 1 ATOM 755 N N . GLU A 1 99 ? 10.814 13.181 24.852 1.00 36.79 ? 99 GLU A N 1 ATOM 756 C CA . GLU A 1 99 ? 11.939 14.105 24.937 1.00 37.25 ? 99 GLU A CA 1 ATOM 757 C C . GLU A 1 99 ? 13.289 13.416 25.145 1.00 35.42 ? 99 GLU A C 1 ATOM 758 O O . GLU A 1 99 ? 14.257 13.719 24.445 1.00 35.95 ? 99 GLU A O 1 ATOM 759 C CB . GLU A 1 99 ? 11.681 15.122 26.064 1.00 38.52 ? 99 GLU A CB 1 ATOM 760 C CG . GLU A 1 99 ? 12.797 16.144 26.314 1.00 40.68 ? 99 GLU A CG 1 ATOM 761 C CD . GLU A 1 99 ? 13.092 17.031 25.111 1.00 40.32 ? 99 GLU A CD 1 ATOM 762 O OE1 . GLU A 1 99 ? 13.579 16.512 24.087 1.00 42.00 ? 99 GLU A OE1 1 ATOM 763 O OE2 . GLU A 1 99 ? 12.840 18.250 25.188 1.00 39.81 ? 99 GLU A OE2 1 ATOM 764 N N . THR A 1 100 ? 13.347 12.476 26.085 1.00 33.45 ? 100 THR A N 1 ATOM 765 C CA . THR A 1 100 ? 14.595 11.783 26.403 1.00 30.76 ? 100 THR A CA 1 ATOM 766 C C . THR A 1 100 ? 14.731 10.339 25.926 1.00 29.54 ? 100 THR A C 1 ATOM 767 O O . THR A 1 100 ? 15.821 9.771 25.997 1.00 27.64 ? 100 THR A O 1 ATOM 768 C CB . THR A 1 100 ? 14.833 11.769 27.914 1.00 32.08 ? 100 THR A CB 1 ATOM 769 O OG1 . THR A 1 100 ? 13.860 10.918 28.533 1.00 31.07 ? 100 THR A OG1 1 ATOM 770 C CG2 . THR A 1 100 ? 14.704 13.172 28.488 1.00 31.32 ? 100 THR A CG2 1 ATOM 771 N N . GLY A 1 101 ? 13.639 9.738 25.461 1.00 27.89 ? 101 GLY A N 1 ATOM 772 C CA . GLY A 1 101 ? 13.708 8.359 25.000 1.00 26.56 ? 101 GLY A CA 1 ATOM 773 C C . GLY A 1 101 ? 13.764 7.360 26.145 1.00 26.87 ? 101 GLY A C 1 ATOM 774 O O . GLY A 1 101 ? 13.904 6.151 25.937 1.00 23.77 ? 101 GLY A O 1 ATOM 775 N N . GLU A 1 102 ? 13.646 7.872 27.366 1.00 26.91 ? 102 GLU A N 1 ATOM 776 C CA . GLU A 1 102 ? 13.682 7.040 28.562 1.00 28.70 ? 102 GLU A CA 1 ATOM 777 C C . GLU A 1 102 ? 12.376 6.283 28.766 1.00 27.88 ? 102 GLU A C 1 ATOM 778 O O . GLU A 1 102 ? 11.294 6.790 28.466 1.00 28.73 ? 102 GLU A O 1 ATOM 779 C CB . GLU A 1 102 ? 13.948 7.906 29.796 1.00 30.68 ? 102 GLU A CB 1 ATOM 780 C CG . GLU A 1 102 ? 15.294 8.594 29.801 1.00 33.46 ? 102 GLU A CG 1 ATOM 781 C CD . GLU A 1 102 ? 15.443 9.538 30.975 1.00 35.00 ? 102 GLU A CD 1 ATOM 782 O OE1 . GLU A 1 102 ? 14.744 10.575 31.003 1.00 33.00 ? 102 GLU A OE1 1 ATOM 783 O OE2 . GLU A 1 102 ? 16.256 9.235 31.873 1.00 36.73 ? 102 GLU A OE2 1 ATOM 784 N N . LEU A 1 103 ? 12.480 5.068 29.285 1.00 28.74 ? 404 LEU A N 1 ATOM 785 C CA . LEU A 1 103 ? 11.301 4.259 29.545 1.00 28.64 ? 404 LEU A CA 1 ATOM 786 C C . LEU A 1 103 ? 10.815 4.503 30.971 1.00 28.25 ? 404 LEU A C 1 ATOM 787 O O . LEU A 1 103 ? 11.592 4.430 31.926 1.00 29.23 ? 404 LEU A O 1 ATOM 788 C CB . LEU A 1 103 ? 11.632 2.775 29.363 1.00 29.83 ? 404 LEU A CB 1 ATOM 789 C CG . LEU A 1 103 ? 10.488 1.760 29.277 1.00 31.36 ? 404 LEU A CG 1 ATOM 790 C CD1 . LEU A 1 103 ? 11.076 0.367 29.187 1.00 32.23 ? 404 LEU A CD1 1 ATOM 791 C CD2 . LEU A 1 103 ? 9.590 1.853 30.490 1.00 35.13 ? 404 LEU A CD2 1 ATOM 792 N N . ARG A 1 104 ? 9.529 4.808 31.105 1.00 27.15 ? 405 ARG A N 1 ATOM 793 C CA . ARG A 1 104 ? 8.914 5.025 32.407 1.00 26.06 ? 405 ARG A CA 1 ATOM 794 C C . ARG A 1 104 ? 7.540 4.358 32.378 1.00 23.54 ? 405 ARG A C 1 ATOM 795 O O . ARG A 1 104 ? 7.130 3.798 31.361 1.00 23.33 ? 405 ARG A O 1 ATOM 796 C CB . ARG A 1 104 ? 8.756 6.521 32.702 1.00 26.02 ? 405 ARG A CB 1 ATOM 797 C CG . ARG A 1 104 ? 7.866 7.265 31.722 1.00 30.70 ? 405 ARG A CG 1 ATOM 798 C CD . ARG A 1 104 ? 7.154 8.430 32.401 1.00 33.03 ? 405 ARG A CD 1 ATOM 799 N NE . ARG A 1 104 ? 6.335 9.198 31.467 1.00 34.59 ? 405 ARG A NE 1 ATOM 800 C CZ . ARG A 1 104 ? 6.827 9.986 30.516 1.00 34.39 ? 405 ARG A CZ 1 ATOM 801 N NH1 . ARG A 1 104 ? 8.141 10.116 30.375 1.00 35.06 ? 405 ARG A NH1 1 ATOM 802 N NH2 . ARG A 1 104 ? 6.009 10.638 29.699 1.00 33.95 ? 405 ARG A NH2 1 ATOM 803 N N . TYR A 1 105 ? 6.827 4.414 33.492 1.00 21.06 ? 406 TYR A N 1 ATOM 804 C CA . TYR A 1 105 ? 5.505 3.819 33.549 1.00 21.28 ? 406 TYR A CA 1 ATOM 805 C C . TYR A 1 105 ? 4.515 4.858 34.025 1.00 22.90 ? 406 TYR A C 1 ATOM 806 O O . TYR A 1 105 ? 4.743 5.530 35.030 1.00 23.37 ? 406 TYR A O 1 ATOM 807 C CB . TYR A 1 105 ? 5.510 2.603 34.476 1.00 20.92 ? 406 TYR A CB 1 ATOM 808 C CG . TYR A 1 105 ? 6.190 1.408 33.854 1.00 19.76 ? 406 TYR A CG 1 ATOM 809 C CD1 . TYR A 1 105 ? 5.445 0.378 33.282 1.00 22.03 ? 406 TYR A CD1 1 ATOM 810 C CD2 . TYR A 1 105 ? 7.581 1.328 33.795 1.00 18.89 ? 406 TYR A CD2 1 ATOM 811 C CE1 . TYR A 1 105 ? 6.068 -0.703 32.663 1.00 22.54 ? 406 TYR A CE1 1 ATOM 812 C CE2 . TYR A 1 105 ? 8.218 0.254 33.179 1.00 20.01 ? 406 TYR A CE2 1 ATOM 813 C CZ . TYR A 1 105 ? 7.458 -0.755 32.614 1.00 22.89 ? 406 TYR A CZ 1 ATOM 814 O OH . TYR A 1 105 ? 8.086 -1.806 31.984 1.00 26.83 ? 406 TYR A OH 1 ATOM 815 N N . SER A 1 106 ? 3.419 4.995 33.287 1.00 21.32 ? 407 SER A N 1 ATOM 816 C CA . SER A 1 106 ? 2.395 5.973 33.621 1.00 20.89 ? 407 SER A CA 1 ATOM 817 C C . SER A 1 106 ? 1.050 5.293 33.814 1.00 20.00 ? 407 SER A C 1 ATOM 818 O O . SER A 1 106 ? 0.751 4.288 33.157 1.00 16.33 ? 407 SER A O 1 ATOM 819 C CB . SER A 1 106 ? 2.290 7.017 32.507 1.00 21.20 ? 407 SER A CB 1 ATOM 820 O OG . SER A 1 106 ? 3.544 7.628 32.278 1.00 22.45 ? 407 SER A OG 1 ATOM 821 N N . VAL A 1 107 ? 0.237 5.846 34.711 1.00 19.24 ? 408 VAL A N 1 ATOM 822 C CA . VAL A 1 107 ? -1.070 5.283 34.989 1.00 20.08 ? 408 VAL A CA 1 ATOM 823 C C . VAL A 1 107 ? -2.087 5.625 33.921 1.00 18.81 ? 408 VAL A C 1 ATOM 824 O O . VAL A 1 107 ? -2.002 6.665 33.268 1.00 17.91 ? 408 VAL A O 1 ATOM 825 C CB . VAL A 1 107 ? -1.631 5.762 36.357 1.00 21.61 ? 408 VAL A CB 1 ATOM 826 C CG1 . VAL A 1 107 ? -0.571 5.622 37.415 1.00 22.19 ? 408 VAL A CG1 1 ATOM 827 C CG2 . VAL A 1 107 ? -2.123 7.200 36.264 1.00 22.81 ? 408 VAL A CG2 1 ATOM 828 N N . ILE A 1 108 ? -3.033 4.716 33.730 1.00 18.22 ? 409 ILE A N 1 ATOM 829 C CA . ILE A 1 108 ? -4.114 4.924 32.789 1.00 18.05 ? 409 ILE A CA 1 ATOM 830 C C . ILE A 1 108 ? -5.087 5.808 33.558 1.00 17.79 ? 409 ILE A C 1 ATOM 831 O O . ILE A 1 108 ? -5.465 5.494 34.690 1.00 16.05 ? 409 ILE A O 1 ATOM 832 C CB . ILE A 1 108 ? -4.806 3.606 32.432 1.00 17.84 ? 409 ILE A CB 1 ATOM 833 C CG1 . ILE A 1 108 ? -3.857 2.737 31.602 1.00 17.31 ? 409 ILE A CG1 1 ATOM 834 C CG2 . ILE A 1 108 ? -6.113 3.887 31.703 1.00 18.18 ? 409 ILE A CG2 1 ATOM 835 C CD1 . ILE A 1 108 ? -4.303 1.300 31.440 1.00 16.62 ? 409 ILE A CD1 1 ATOM 836 N N . ARG A 1 109 ? -5.459 6.925 32.950 1.00 18.91 ? 410 ARG A N 1 ATOM 837 C CA . ARG A 1 109 ? -6.371 7.874 33.568 1.00 21.33 ? 410 ARG A CA 1 ATOM 838 C C . ARG A 1 109 ? -7.815 7.462 33.318 1.00 21.05 ? 410 ARG A C 1 ATOM 839 O O . ARG A 1 109 ? -8.682 7.607 34.184 1.00 20.21 ? 410 ARG A O 1 ATOM 840 C CB . ARG A 1 109 ? -6.121 9.264 32.985 1.00 22.40 ? 410 ARG A CB 1 ATOM 841 C CG . ARG A 1 109 ? -6.715 10.406 33.787 1.00 28.41 ? 410 ARG A CG 1 ATOM 842 C CD . ARG A 1 109 ? -6.421 11.738 33.114 1.00 30.67 ? 410 ARG A CD 1 ATOM 843 N NE . ARG A 1 109 ? -7.268 11.949 31.944 1.00 34.39 ? 410 ARG A NE 1 ATOM 844 C CZ . ARG A 1 109 ? -7.015 12.835 30.987 1.00 36.01 ? 410 ARG A CZ 1 ATOM 845 N NH1 . ARG A 1 109 ? -5.932 13.596 31.053 1.00 38.94 ? 410 ARG A NH1 1 ATOM 846 N NH2 . ARG A 1 109 ? -7.849 12.964 29.965 1.00 36.13 ? 410 ARG A NH2 1 ATOM 847 N N . GLU A 1 110 ? -8.073 6.941 32.127 1.00 20.64 ? 411 GLU A N 1 ATOM 848 C CA . GLU A 1 110 ? -9.424 6.533 31.775 1.00 21.34 ? 411 GLU A CA 1 ATOM 849 C C . GLU A 1 110 ? -9.448 5.522 30.633 1.00 19.98 ? 411 GLU A C 1 ATOM 850 O O . GLU A 1 110 ? -8.586 5.543 29.751 1.00 17.31 ? 411 GLU A O 1 ATOM 851 C CB . GLU A 1 110 ? -10.233 7.776 31.396 1.00 23.46 ? 411 GLU A CB 1 ATOM 852 C CG . GLU A 1 110 ? -11.544 7.509 30.681 1.00 28.29 ? 411 GLU A CG 1 ATOM 853 C CD . GLU A 1 110 ? -12.273 8.796 30.312 1.00 31.79 ? 411 GLU A CD 1 ATOM 854 O OE1 . GLU A 1 110 ? -11.602 9.761 29.875 1.00 32.06 ? 411 GLU A OE1 1 ATOM 855 O OE2 . GLU A 1 110 ? -13.515 8.839 30.451 1.00 34.69 ? 411 GLU A OE2 1 ATOM 856 N N . VAL A 1 111 ? -10.429 4.625 30.669 1.00 18.26 ? 412 VAL A N 1 ATOM 857 C CA . VAL A 1 111 ? -10.600 3.637 29.616 1.00 18.82 ? 412 VAL A CA 1 ATOM 858 C C . VAL A 1 111 ? -11.856 4.058 28.857 1.00 21.06 ? 412 VAL A C 1 ATOM 859 O O . VAL A 1 111 ? -12.943 4.120 29.428 1.00 20.61 ? 412 VAL A O 1 ATOM 860 C CB . VAL A 1 111 ? -10.774 2.210 30.192 1.00 20.10 ? 412 VAL A CB 1 ATOM 861 C CG1 . VAL A 1 111 ? -11.098 1.229 29.067 1.00 23.17 ? 412 VAL A CG1 1 ATOM 862 C CG2 . VAL A 1 111 ? -9.480 1.777 30.896 1.00 20.77 ? 412 VAL A CG2 1 ATOM 863 N N . LEU A 1 112 ? -11.700 4.373 27.575 1.00 20.90 ? 413 LEU A N 1 ATOM 864 C CA . LEU A 1 112 ? -12.827 4.817 26.766 1.00 19.81 ? 413 LEU A CA 1 ATOM 865 C C . LEU A 1 112 ? -13.563 3.682 26.067 1.00 20.74 ? 413 LEU A C 1 ATOM 866 O O . LEU A 1 112 ? -12.994 2.621 25.808 1.00 20.82 ? 413 LEU A O 1 ATOM 867 C CB . LEU A 1 112 ? -12.361 5.832 25.719 1.00 21.96 ? 413 LEU A CB 1 ATOM 868 C CG . LEU A 1 112 ? -11.894 7.212 26.206 1.00 23.19 ? 413 LEU A CG 1 ATOM 869 C CD1 . LEU A 1 112 ? -12.995 7.862 27.017 1.00 23.75 ? 413 LEU A CD1 1 ATOM 870 C CD2 . LEU A 1 112 ? -10.631 7.080 27.042 1.00 21.51 ? 413 LEU A CD2 1 ATOM 871 N N . PRO A 1 113 ? -14.852 3.901 25.743 1.00 20.99 ? 414 PRO A N 1 ATOM 872 C CA . PRO A 1 113 ? -15.713 2.926 25.064 1.00 21.79 ? 414 PRO A CA 1 ATOM 873 C C . PRO A 1 113 ? -15.211 2.692 23.640 1.00 22.11 ? 414 PRO A C 1 ATOM 874 O O . PRO A 1 113 ? -14.447 3.500 23.113 1.00 22.50 ? 414 PRO A O 1 ATOM 875 C CB . PRO A 1 113 ? -17.083 3.608 25.069 1.00 21.77 ? 414 PRO A CB 1 ATOM 876 C CG . PRO A 1 113 ? -16.985 4.596 26.205 1.00 23.25 ? 414 PRO A CG 1 ATOM 877 C CD . PRO A 1 113 ? -15.603 5.128 26.039 1.00 20.02 ? 414 PRO A CD 1 ATOM 878 N N . THR A 1 114 ? -15.656 1.603 23.018 1.00 21.55 ? 415 THR A N 1 ATOM 879 C CA . THR A 1 114 ? -15.239 1.269 21.657 1.00 20.85 ? 415 THR A CA 1 ATOM 880 C C . THR A 1 114 ? -15.762 2.226 20.597 1.00 21.62 ? 415 THR A C 1 ATOM 881 O O . THR A 1 114 ? -16.786 2.896 20.774 1.00 21.71 ? 415 THR A O 1 ATOM 882 C CB . THR A 1 114 ? -15.707 -0.145 21.231 1.00 21.90 ? 415 THR A CB 1 ATOM 883 O OG1 . THR A 1 114 ? -17.145 -0.193 21.210 1.00 21.14 ? 415 THR A OG1 1 ATOM 884 C CG2 . THR A 1 114 ? -15.180 -1.202 22.185 1.00 21.85 ? 415 THR A CG2 1 ATOM 885 N N . ARG A 1 115 ? -15.037 2.282 19.491 1.00 21.94 ? 416 ARG A N 1 ATOM 886 C CA . ARG A 1 115 ? -15.427 3.093 18.350 1.00 23.95 ? 416 ARG A CA 1 ATOM 887 C C . ARG A 1 115 ? -14.919 2.344 17.129 1.00 24.77 ? 416 ARG A C 1 ATOM 888 O O . ARG A 1 115 ? -13.954 1.579 17.215 1.00 24.62 ? 416 ARG A O 1 ATOM 889 C CB . ARG A 1 115 ? -14.825 4.504 18.421 1.00 22.98 ? 416 ARG A CB 1 ATOM 890 C CG . ARG A 1 115 ? -13.332 4.599 18.209 1.00 25.40 ? 416 ARG A CG 1 ATOM 891 C CD . ARG A 1 115 ? -12.887 6.058 18.266 1.00 28.20 ? 416 ARG A CD 1 ATOM 892 N NE . ARG A 1 115 ? -11.439 6.206 18.148 1.00 28.62 ? 416 ARG A NE 1 ATOM 893 C CZ . ARG A 1 115 ? -10.767 6.187 17.001 1.00 28.24 ? 416 ARG A CZ 1 ATOM 894 N NH1 . ARG A 1 115 ? -11.411 6.032 15.854 1.00 27.21 ? 416 ARG A NH1 1 ATOM 895 N NH2 . ARG A 1 115 ? -9.446 6.309 17.006 1.00 28.22 ? 416 ARG A NH2 1 ATOM 896 N N . ARG A 1 116 ? -15.590 2.539 16.002 1.00 24.64 ? 417 ARG A N 1 ATOM 897 C CA . ARG A 1 116 ? -15.218 1.881 14.757 1.00 26.55 ? 417 ARG A CA 1 ATOM 898 C C . ARG A 1 116 ? -14.091 2.606 14.034 1.00 26.04 ? 417 ARG A C 1 ATOM 899 O O . ARG A 1 116 ? -14.083 3.835 13.954 1.00 27.30 ? 417 ARG A O 1 ATOM 900 C CB . ARG A 1 116 ? -16.440 1.800 13.841 1.00 28.28 ? 417 ARG A CB 1 ATOM 901 C CG . ARG A 1 116 ? -17.452 0.771 14.270 1.00 32.72 ? 417 ARG A CG 1 ATOM 902 C CD . ARG A 1 116 ? -17.307 -0.469 13.422 1.00 36.82 ? 417 ARG A CD 1 ATOM 903 N NE . ARG A 1 116 ? -17.278 -1.687 14.222 1.00 40.01 ? 417 ARG A NE 1 ATOM 904 C CZ . ARG A 1 116 ? -17.131 -2.901 13.705 1.00 41.33 ? 417 ARG A CZ 1 ATOM 905 N NH1 . ARG A 1 116 ? -17.004 -3.045 12.392 1.00 42.98 ? 417 ARG A NH1 1 ATOM 906 N NH2 . ARG A 1 116 ? -17.100 -3.965 14.495 1.00 39.95 ? 417 ARG A NH2 1 ATOM 907 N N . ALA A 1 117 ? -13.137 1.847 13.503 1.00 25.12 ? 418 ALA A N 1 ATOM 908 C CA . ALA A 1 117 ? -12.028 2.453 12.776 1.00 25.20 ? 418 ALA A CA 1 ATOM 909 C C . ALA A 1 117 ? -11.199 1.422 12.025 1.00 24.25 ? 418 ALA A C 1 ATOM 910 O O . ALA A 1 117 ? -11.213 0.236 12.355 1.00 23.56 ? 418 ALA A O 1 ATOM 911 C CB . ALA A 1 117 ? -11.130 3.227 13.742 1.00 26.15 ? 418 ALA A CB 1 ATOM 912 N N . ARG A 1 118 ? -10.493 1.870 10.993 1.00 23.96 ? 419 ARG A N 1 ATOM 913 C CA . ARG A 1 118 ? -9.636 0.956 10.260 1.00 23.73 ? 419 ARG A CA 1 ATOM 914 C C . ARG A 1 118 ? -8.552 0.582 11.264 1.00 22.43 ? 419 ARG A C 1 ATOM 915 O O . ARG A 1 118 ? -8.147 1.414 12.070 1.00 21.26 ? 419 ARG A O 1 ATOM 916 C CB . ARG A 1 118 ? -9.017 1.641 9.037 1.00 24.39 ? 419 ARG A CB 1 ATOM 917 C CG . ARG A 1 118 ? -9.943 1.723 7.834 1.00 25.43 ? 419 ARG A CG 1 ATOM 918 C CD . ARG A 1 118 ? -9.156 1.482 6.543 1.00 27.19 ? 419 ARG A CD 1 ATOM 919 N NE . ARG A 1 118 ? -8.257 2.581 6.237 1.00 27.40 ? 419 ARG A NE 1 ATOM 920 C CZ . ARG A 1 118 ? -7.103 2.459 5.590 1.00 24.96 ? 419 ARG A CZ 1 ATOM 921 N NH1 . ARG A 1 118 ? -6.677 1.274 5.167 1.00 22.86 ? 419 ARG A NH1 1 ATOM 922 N NH2 . ARG A 1 118 ? -6.373 3.538 5.370 1.00 25.08 ? 419 ARG A NH2 1 ATOM 923 N N . THR A 1 119 ? -8.104 -0.667 11.234 1.00 21.80 ? 420 THR A N 1 ATOM 924 C CA . THR A 1 119 ? -7.082 -1.121 12.165 1.00 21.81 ? 420 THR A CA 1 ATOM 925 C C . THR A 1 119 ? -5.906 -1.749 11.438 1.00 22.41 ? 420 THR A C 1 ATOM 926 O O . THR A 1 119 ? -6.054 -2.294 10.335 1.00 22.65 ? 420 THR A O 1 ATOM 927 C CB . THR A 1 119 ? -7.659 -2.125 13.171 1.00 22.84 ? 420 THR A CB 1 ATOM 928 O OG1 . THR A 1 119 ? -8.238 -3.228 12.467 1.00 22.38 ? 420 THR A OG1 1 ATOM 929 C CG2 . THR A 1 119 ? -8.732 -1.451 14.037 1.00 20.87 ? 420 THR A CG2 1 ATOM 930 N N . PHE A 1 120 ? -4.737 -1.683 12.068 1.00 22.82 ? 421 PHE A N 1 ATOM 931 C CA . PHE A 1 120 ? -3.523 -2.199 11.453 1.00 24.08 ? 421 PHE A CA 1 ATOM 932 C C . PHE A 1 120 ? -2.587 -2.998 12.359 1.00 24.48 ? 421 PHE A C 1 ATOM 933 O O . PHE A 1 120 ? -2.718 -3.014 13.588 1.00 22.13 ? 421 PHE A O 1 ATOM 934 C CB . PHE A 1 120 ? -2.739 -1.032 10.837 1.00 22.40 ? 421 PHE A CB 1 ATOM 935 C CG . PHE A 1 120 ? -3.585 -0.106 10.016 1.00 23.76 ? 421 PHE A CG 1 ATOM 936 C CD1 . PHE A 1 120 ? -4.406 0.839 10.630 1.00 22.46 ? 421 PHE A CD1 1 ATOM 937 C CD2 . PHE A 1 120 ? -3.607 -0.214 8.626 1.00 21.77 ? 421 PHE A CD2 1 ATOM 938 C CE1 . PHE A 1 120 ? -5.241 1.661 9.875 1.00 21.30 ? 421 PHE A CE1 1 ATOM 939 C CE2 . PHE A 1 120 ? -4.435 0.600 7.862 1.00 23.68 ? 421 PHE A CE2 1 ATOM 940 C CZ . PHE A 1 120 ? -5.257 1.542 8.486 1.00 23.74 ? 421 PHE A CZ 1 ATOM 941 N N . ASP A 1 121 ? -1.628 -3.655 11.720 1.00 25.19 ? 422 ASP A N 1 ATOM 942 C CA . ASP A 1 121 ? -0.634 -4.446 12.421 1.00 25.74 ? 422 ASP A CA 1 ATOM 943 C C . ASP A 1 121 ? 0.645 -4.305 11.610 1.00 25.19 ? 422 ASP A C 1 ATOM 944 O O . ASP A 1 121 ? 0.596 -4.064 10.404 1.00 23.83 ? 422 ASP A O 1 ATOM 945 C CB . ASP A 1 121 ? -1.073 -5.910 12.481 1.00 28.93 ? 422 ASP A CB 1 ATOM 946 C CG . ASP A 1 121 ? -0.488 -6.648 13.675 1.00 32.06 ? 422 ASP A CG 1 ATOM 947 O OD1 . ASP A 1 121 ? -0.735 -6.206 14.823 1.00 34.32 ? 422 ASP A OD1 1 ATOM 948 O OD2 . ASP A 1 121 ? 0.208 -7.669 13.464 1.00 30.70 ? 422 ASP A OD2 1 ATOM 949 N N . LEU A 1 122 ? 1.785 -4.428 12.275 1.00 23.93 ? 423 LEU A N 1 ATOM 950 C CA . LEU A 1 122 ? 3.073 -4.327 11.603 1.00 24.81 ? 423 LEU A CA 1 ATOM 951 C C . LEU A 1 122 ? 3.962 -5.439 12.121 1.00 25.32 ? 423 LEU A C 1 ATOM 952 O O . LEU A 1 122 ? 3.779 -5.907 13.241 1.00 26.92 ? 423 LEU A O 1 ATOM 953 C CB . LEU A 1 122 ? 3.741 -2.986 11.910 1.00 23.93 ? 423 LEU A CB 1 ATOM 954 C CG . LEU A 1 122 ? 3.075 -1.691 11.457 1.00 24.84 ? 423 LEU A CG 1 ATOM 955 C CD1 . LEU A 1 122 ? 3.904 -0.516 11.938 1.00 23.24 ? 423 LEU A CD1 1 ATOM 956 C CD2 . LEU A 1 122 ? 2.958 -1.665 9.948 1.00 23.18 ? 423 LEU A CD2 1 ATOM 957 N N . GLU A 1 123 ? 4.911 -5.882 11.309 1.00 24.18 ? 424 GLU A N 1 ATOM 958 C CA . GLU A 1 123 ? 5.831 -6.908 11.780 1.00 23.04 ? 424 GLU A CA 1 ATOM 959 C C . GLU A 1 123 ? 7.172 -6.220 12.007 1.00 21.87 ? 424 GLU A C 1 ATOM 960 O O . GLU A 1 123 ? 7.802 -5.741 11.062 1.00 20.95 ? 424 GLU A O 1 ATOM 961 C CB . GLU A 1 123 ? 5.997 -8.032 10.756 1.00 24.69 ? 424 GLU A CB 1 ATOM 962 C CG . GLU A 1 123 ? 6.876 -9.167 11.263 1.00 25.62 ? 424 GLU A CG 1 ATOM 963 C CD . GLU A 1 123 ? 7.150 -10.211 10.207 1.00 28.36 ? 424 GLU A CD 1 ATOM 964 O OE1 . GLU A 1 123 ? 6.198 -10.599 9.496 1.00 29.36 ? 424 GLU A OE1 1 ATOM 965 O OE2 . GLU A 1 123 ? 8.318 -10.648 10.096 1.00 30.15 ? 424 GLU A OE2 1 ATOM 966 N N . VAL A 1 124 ? 7.590 -6.150 13.265 1.00 20.24 ? 425 VAL A N 1 ATOM 967 C CA . VAL A 1 124 ? 8.856 -5.518 13.604 1.00 19.96 ? 425 VAL A CA 1 ATOM 968 C C . VAL A 1 124 ? 9.894 -6.608 13.762 1.00 18.96 ? 425 VAL A C 1 ATOM 969 O O . VAL A 1 124 ? 9.725 -7.541 14.545 1.00 16.66 ? 425 VAL A O 1 ATOM 970 C CB . VAL A 1 124 ? 8.753 -4.711 14.905 1.00 19.74 ? 425 VAL A CB 1 ATOM 971 C CG1 . VAL A 1 124 ? 10.111 -4.134 15.268 1.00 17.40 ? 425 VAL A CG1 1 ATOM 972 C CG2 . VAL A 1 124 ? 7.743 -3.600 14.738 1.00 19.65 ? 425 VAL A CG2 1 ATOM 973 N N . GLU A 1 125 ? 10.973 -6.476 13.009 1.00 20.84 ? 426 GLU A N 1 ATOM 974 C CA . GLU A 1 125 ? 12.041 -7.460 13.012 1.00 20.21 ? 426 GLU A CA 1 ATOM 975 C C . GLU A 1 125 ? 12.570 -7.862 14.381 1.00 20.58 ? 426 GLU A C 1 ATOM 976 O O . GLU A 1 125 ? 12.881 -7.013 15.222 1.00 17.80 ? 426 GLU A O 1 ATOM 977 C CB . GLU A 1 125 ? 13.192 -6.956 12.151 1.00 22.79 ? 426 GLU A CB 1 ATOM 978 C CG . GLU A 1 125 ? 14.365 -7.902 12.083 1.00 26.38 ? 426 GLU A CG 1 ATOM 979 C CD . GLU A 1 125 ? 15.360 -7.481 11.033 1.00 27.86 ? 426 GLU A CD 1 ATOM 980 O OE1 . GLU A 1 125 ? 15.011 -7.542 9.837 1.00 28.79 ? 426 GLU A OE1 1 ATOM 981 O OE2 . GLU A 1 125 ? 16.481 -7.078 11.402 1.00 31.49 ? 426 GLU A OE2 1 ATOM 982 N N . GLU A 1 126 ? 12.657 -9.174 14.586 1.00 20.11 ? 427 GLU A N 1 ATOM 983 C CA . GLU A 1 126 ? 13.176 -9.769 15.814 1.00 21.34 ? 427 GLU A CA 1 ATOM 984 C C . GLU A 1 126 ? 12.413 -9.573 17.135 1.00 20.77 ? 427 GLU A C 1 ATOM 985 O O . GLU A 1 126 ? 12.075 -10.550 17.807 1.00 20.96 ? 427 GLU A O 1 ATOM 986 C CB . GLU A 1 126 ? 14.634 -9.327 16.033 1.00 20.59 ? 427 GLU A CB 1 ATOM 987 C CG . GLU A 1 126 ? 15.251 -9.946 17.289 1.00 25.08 ? 427 GLU A CG 1 ATOM 988 C CD . GLU A 1 126 ? 16.589 -9.353 17.697 1.00 26.91 ? 427 GLU A CD 1 ATOM 989 O OE1 . GLU A 1 126 ? 16.929 -8.228 17.262 1.00 28.03 ? 427 GLU A OE1 1 ATOM 990 O OE2 . GLU A 1 126 ? 17.297 -10.017 18.487 1.00 28.12 ? 427 GLU A OE2 1 ATOM 991 N N . LEU A 1 127 ? 12.153 -8.321 17.510 1.00 19.60 ? 428 LEU A N 1 ATOM 992 C CA . LEU A 1 127 ? 11.502 -8.016 18.787 1.00 19.38 ? 428 LEU A CA 1 ATOM 993 C C . LEU A 1 127 ? 9.982 -7.971 18.778 1.00 18.39 ? 428 LEU A C 1 ATOM 994 O O . LEU A 1 127 ? 9.348 -8.070 19.826 1.00 18.82 ? 428 LEU A O 1 ATOM 995 C CB . LEU A 1 127 ? 12.063 -6.702 19.338 1.00 18.33 ? 428 LEU A CB 1 ATOM 996 C CG . LEU A 1 127 ? 13.581 -6.730 19.549 1.00 18.10 ? 428 LEU A CG 1 ATOM 997 C CD1 . LEU A 1 127 ? 14.073 -5.384 20.063 1.00 19.64 ? 428 LEU A CD1 1 ATOM 998 C CD2 . LEU A 1 127 ? 13.931 -7.836 20.529 1.00 20.24 ? 428 LEU A CD2 1 ATOM 999 N N . HIS A 1 128 ? 9.411 -7.810 17.594 1.00 19.95 ? 429 HIS A N 1 ATOM 1000 C CA . HIS A 1 128 ? 7.966 -7.784 17.417 1.00 20.56 ? 429 HIS A CA 1 ATOM 1001 C C . HIS A 1 128 ? 7.183 -6.917 18.404 1.00 19.17 ? 429 HIS A C 1 ATOM 1002 O O . HIS A 1 128 ? 6.135 -7.328 18.921 1.00 18.50 ? 429 HIS A O 1 ATOM 1003 C CB . HIS A 1 128 ? 7.454 -9.223 17.432 1.00 24.01 ? 429 HIS A CB 1 ATOM 1004 C CG . HIS A 1 128 ? 8.146 -10.103 16.438 1.00 28.33 ? 429 HIS A CG 1 ATOM 1005 N ND1 . HIS A 1 128 ? 7.915 -10.017 15.082 1.00 29.68 ? 429 HIS A ND1 1 ATOM 1006 C CD2 . HIS A 1 128 ? 9.119 -11.032 16.596 1.00 29.62 ? 429 HIS A CD2 1 ATOM 1007 C CE1 . HIS A 1 128 ? 8.717 -10.854 14.447 1.00 30.87 ? 429 HIS A CE1 1 ATOM 1008 N NE2 . HIS A 1 128 ? 9.458 -11.481 15.342 1.00 30.29 ? 429 HIS A NE2 1 ATOM 1009 N N . THR A 1 129 ? 7.690 -5.707 18.630 1.00 17.30 ? 430 THR A N 1 ATOM 1010 C CA . THR A 1 129 ? 7.063 -4.733 19.514 1.00 17.04 ? 430 THR A CA 1 ATOM 1011 C C . THR A 1 129 ? 7.402 -3.352 18.967 1.00 16.72 ? 430 THR A C 1 ATOM 1012 O O . THR A 1 129 ? 8.312 -3.211 18.147 1.00 17.27 ? 430 THR A O 1 ATOM 1013 C CB . THR A 1 129 ? 7.596 -4.835 20.960 1.00 17.25 ? 430 THR A CB 1 ATOM 1014 O OG1 . THR A 1 129 ? 9.019 -4.666 20.960 1.00 18.00 ? 430 THR A OG1 1 ATOM 1015 C CG2 . THR A 1 129 ? 7.237 -6.181 21.567 1.00 16.54 ? 430 THR A CG2 1 ATOM 1016 N N . LEU A 1 130 ? 6.675 -2.338 19.422 1.00 15.68 ? 431 LEU A N 1 ATOM 1017 C CA . LEU A 1 130 ? 6.901 -0.974 18.969 1.00 16.49 ? 431 LEU A CA 1 ATOM 1018 C C . LEU A 1 130 ? 6.271 0.028 19.923 1.00 16.30 ? 431 LEU A C 1 ATOM 1019 O O . LEU A 1 130 ? 5.464 -0.326 20.789 1.00 16.22 ? 431 LEU A O 1 ATOM 1020 C CB . LEU A 1 130 ? 6.304 -0.758 17.571 1.00 17.44 ? 431 LEU A CB 1 ATOM 1021 C CG . LEU A 1 130 ? 4.772 -0.730 17.484 1.00 20.68 ? 431 LEU A CG 1 ATOM 1022 C CD1 . LEU A 1 130 ? 4.343 -0.512 16.037 1.00 24.47 ? 431 LEU A CD1 1 ATOM 1023 C CD2 . LEU A 1 130 ? 4.206 -2.035 18.012 1.00 23.56 ? 431 LEU A CD2 1 ATOM 1024 N N . VAL A 1 131 ? 6.638 1.290 19.744 1.00 15.85 ? 432 VAL A N 1 ATOM 1025 C CA . VAL A 1 131 ? 6.112 2.366 20.560 1.00 16.77 ? 432 VAL A CA 1 ATOM 1026 C C . VAL A 1 131 ? 5.029 3.075 19.751 1.00 17.00 ? 432 VAL A C 1 ATOM 1027 O O . VAL A 1 131 ? 5.295 3.621 18.670 1.00 17.01 ? 432 VAL A O 1 ATOM 1028 C CB . VAL A 1 131 ? 7.238 3.344 20.951 1.00 16.71 ? 432 VAL A CB 1 ATOM 1029 C CG1 . VAL A 1 131 ? 6.650 4.628 21.541 1.00 17.06 ? 432 VAL A CG1 1 ATOM 1030 C CG2 . VAL A 1 131 ? 8.176 2.663 21.958 1.00 16.02 ? 432 VAL A CG2 1 ATOM 1031 N N . ALA A 1 132 ? 3.802 3.032 20.266 1.00 14.98 ? 433 ALA A N 1 ATOM 1032 C CA . ALA A 1 132 ? 2.645 3.640 19.613 1.00 16.47 ? 433 ALA A CA 1 ATOM 1033 C C . ALA A 1 132 ? 2.045 4.671 20.550 1.00 15.55 ? 433 ALA A C 1 ATOM 1034 O O . ALA A 1 132 ? 1.679 4.342 21.672 1.00 17.46 ? 433 ALA A O 1 ATOM 1035 C CB . ALA A 1 132 ? 1.614 2.564 19.285 1.00 14.61 ? 433 ALA A CB 1 ATOM 1036 N N . GLU A 1 133 ? 1.928 5.910 20.082 1.00 17.75 ? 434 GLU A N 1 ATOM 1037 C CA . GLU A 1 133 ? 1.415 6.998 20.905 1.00 16.51 ? 434 GLU A CA 1 ATOM 1038 C C . GLU A 1 133 ? 2.227 7.019 22.193 1.00 17.32 ? 434 GLU A C 1 ATOM 1039 O O . GLU A 1 133 ? 1.705 7.334 23.274 1.00 18.05 ? 434 GLU A O 1 ATOM 1040 C CB . GLU A 1 133 ? -0.078 6.810 21.229 1.00 18.46 ? 434 GLU A CB 1 ATOM 1041 C CG . GLU A 1 133 ? -1.027 7.035 20.063 1.00 16.61 ? 434 GLU A CG 1 ATOM 1042 C CD . GLU A 1 133 ? -0.888 8.414 19.431 1.00 19.37 ? 434 GLU A CD 1 ATOM 1043 O OE1 . GLU A 1 133 ? -0.628 9.392 20.162 1.00 20.97 ? 434 GLU A OE1 1 ATOM 1044 O OE2 . GLU A 1 133 ? -1.062 8.522 18.201 1.00 17.32 ? 434 GLU A OE2 1 ATOM 1045 N N . GLY A 1 134 ? 3.503 6.648 22.070 1.00 16.06 ? 435 GLY A N 1 ATOM 1046 C CA . GLY A 1 134 ? 4.404 6.638 23.214 1.00 16.71 ? 435 GLY A CA 1 ATOM 1047 C C . GLY A 1 134 ? 4.332 5.414 24.110 1.00 16.61 ? 435 GLY A C 1 ATOM 1048 O O . GLY A 1 134 ? 5.147 5.249 25.019 1.00 16.71 ? 435 GLY A O 1 ATOM 1049 N N . VAL A 1 135 ? 3.363 4.545 23.850 1.00 16.53 ? 436 VAL A N 1 ATOM 1050 C CA . VAL A 1 135 ? 3.171 3.345 24.649 1.00 15.54 ? 436 VAL A CA 1 ATOM 1051 C C . VAL A 1 135 ? 3.793 2.103 24.005 1.00 17.17 ? 436 VAL A C 1 ATOM 1052 O O . VAL A 1 135 ? 3.685 1.901 22.787 1.00 15.60 ? 436 VAL A O 1 ATOM 1053 C CB . VAL A 1 135 ? 1.657 3.087 24.866 1.00 17.30 ? 436 VAL A CB 1 ATOM 1054 C CG1 . VAL A 1 135 ? 1.451 1.877 25.754 1.00 12.81 ? 436 VAL A CG1 1 ATOM 1055 C CG2 . VAL A 1 135 ? 1.001 4.324 25.465 1.00 12.44 ? 436 VAL A CG2 1 ATOM 1056 N N . VAL A 1 136 ? 4.444 1.281 24.825 1.00 17.24 ? 437 VAL A N 1 ATOM 1057 C CA . VAL A 1 136 ? 5.058 0.043 24.344 1.00 17.37 ? 437 VAL A CA 1 ATOM 1058 C C . VAL A 1 136 ? 3.962 -1.016 24.165 1.00 17.64 ? 437 VAL A C 1 ATOM 1059 O O . VAL A 1 136 ? 3.286 -1.412 25.128 1.00 17.07 ? 437 VAL A O 1 ATOM 1060 C CB . VAL A 1 136 ? 6.131 -0.485 25.332 1.00 17.40 ? 437 VAL A CB 1 ATOM 1061 C CG1 . VAL A 1 136 ? 6.704 -1.805 24.825 1.00 17.28 ? 437 VAL A CG1 1 ATOM 1062 C CG2 . VAL A 1 136 ? 7.247 0.549 25.505 1.00 18.42 ? 437 VAL A CG2 1 ATOM 1063 N N . VAL A 1 137 ? 3.797 -1.465 22.925 1.00 18.11 ? 438 VAL A N 1 ATOM 1064 C CA . VAL A 1 137 ? 2.784 -2.451 22.571 1.00 19.07 ? 438 VAL A CA 1 ATOM 1065 C C . VAL A 1 137 ? 3.369 -3.550 21.686 1.00 21.61 ? 438 VAL A C 1 ATOM 1066 O O . VAL A 1 137 ? 4.485 -3.430 21.182 1.00 20.92 ? 438 VAL A O 1 ATOM 1067 C CB . VAL A 1 137 ? 1.609 -1.780 21.796 1.00 19.57 ? 438 VAL A CB 1 ATOM 1068 C CG1 . VAL A 1 137 ? 1.017 -0.633 22.621 1.00 19.65 ? 438 VAL A CG1 1 ATOM 1069 C CG2 . VAL A 1 137 ? 2.097 -1.252 20.450 1.00 16.22 ? 438 VAL A CG2 1 ATOM 1070 N N . HIS A 1 138 ? 2.605 -4.619 21.500 1.00 23.72 ? 439 HIS A N 1 ATOM 1071 C CA . HIS A 1 138 ? 3.031 -5.721 20.651 1.00 26.73 ? 439 HIS A CA 1 ATOM 1072 C C . HIS A 1 138 ? 2.799 -5.270 19.204 1.00 27.00 ? 439 HIS A C 1 ATOM 1073 O O . HIS A 1 138 ? 1.897 -4.469 18.947 1.00 25.39 ? 439 HIS A O 1 ATOM 1074 C CB . HIS A 1 138 ? 2.209 -6.968 20.976 1.00 30.61 ? 439 HIS A CB 1 ATOM 1075 C CG . HIS A 1 138 ? 2.692 -8.205 20.287 1.00 35.54 ? 439 HIS A CG 1 ATOM 1076 N ND1 . HIS A 1 138 ? 2.273 -8.568 19.024 1.00 35.70 ? 439 HIS A ND1 1 ATOM 1077 C CD2 . HIS A 1 138 ? 3.584 -9.148 20.674 1.00 36.20 ? 439 HIS A CD2 1 ATOM 1078 C CE1 . HIS A 1 138 ? 2.884 -9.683 18.664 1.00 36.17 ? 439 HIS A CE1 1 ATOM 1079 N NE2 . HIS A 1 138 ? 3.686 -10.055 19.646 1.00 37.45 ? 439 HIS A NE2 1 ATOM 1080 N N . ASN A 1 139 ? 3.599 -5.754 18.253 1.00 27.76 ? 440 ASN A N 1 ATOM 1081 C CA . ASN A 1 139 ? 3.399 -5.303 16.878 1.00 27.67 ? 440 ASN A CA 1 ATOM 1082 C C . ASN A 1 139 ? 2.142 -5.895 16.250 1.00 28.77 ? 440 ASN A C 1 ATOM 1083 O O . ASN A 1 139 ? 1.793 -7.046 16.583 1.00 29.23 ? 440 ASN A O 1 ATOM 1084 C CB . ASN A 1 139 ? 4.635 -5.589 16.003 1.00 26.50 ? 440 ASN A CB 1 ATOM 1085 C CG . ASN A 1 139 ? 4.906 -7.075 15.789 1.00 25.72 ? 440 ASN A CG 1 ATOM 1086 O OD1 . ASN A 1 139 ? 5.872 -7.432 15.118 1.00 24.77 ? 440 ASN A OD1 1 ATOM 1087 N ND2 . ASN A 1 139 ? 4.066 -7.938 16.350 1.00 26.72 ? 440 ASN A ND2 1 ATOM 1088 O OXT . ASN A 1 139 ? 1.522 -5.184 15.431 1.00 30.88 ? 440 ASN A OXT 1 HETATM 1089 O O . HOH B 2 . ? -11.165 1.637 34.386 1.00 16.21 ? 441 HOH A O 1 HETATM 1090 O O . HOH B 2 . ? 8.141 3.435 17.648 1.00 14.03 ? 442 HOH A O 1 HETATM 1091 O O . HOH B 2 . ? 13.898 4.773 9.097 1.00 23.46 ? 443 HOH A O 1 HETATM 1092 O O . HOH B 2 . ? -8.917 -1.193 6.496 1.00 23.18 ? 444 HOH A O 1 HETATM 1093 O O . HOH B 2 . ? -13.763 0.239 26.766 1.00 19.14 ? 445 HOH A O 1 HETATM 1094 O O . HOH B 2 . ? 1.659 7.961 36.061 1.00 22.80 ? 446 HOH A O 1 HETATM 1095 O O . HOH B 2 . ? 10.218 -8.803 22.471 1.00 32.94 ? 447 HOH A O 1 HETATM 1096 O O . HOH B 2 . ? -11.888 4.095 33.105 1.00 23.22 ? 448 HOH A O 1 HETATM 1097 O O . HOH B 2 . ? -17.992 0.472 18.461 1.00 19.29 ? 449 HOH A O 1 HETATM 1098 O O . HOH B 2 . ? -19.125 2.405 22.019 1.00 19.17 ? 450 HOH A O 1 HETATM 1099 O O . HOH B 2 . ? 5.104 6.650 19.215 1.00 20.05 ? 451 HOH A O 1 HETATM 1100 O O . HOH B 2 . ? -9.582 -1.836 28.809 1.00 22.80 ? 452 HOH A O 1 HETATM 1101 O O . HOH B 2 . ? -4.000 -0.871 3.163 1.00 24.67 ? 453 HOH A O 1 HETATM 1102 O O . HOH B 2 . ? 10.887 7.301 9.052 1.00 22.51 ? 454 HOH A O 1 HETATM 1103 O O . HOH B 2 . ? 4.508 -10.612 15.505 1.00 25.69 ? 455 HOH A O 1 HETATM 1104 O O . HOH B 2 . ? -4.365 9.292 20.043 1.00 32.98 ? 456 HOH A O 1 HETATM 1105 O O . HOH B 2 . ? -1.006 -7.819 20.100 1.00 27.81 ? 457 HOH A O 1 HETATM 1106 O O . HOH B 2 . ? -10.431 10.971 27.772 1.00 26.08 ? 458 HOH A O 1 HETATM 1107 O O . HOH B 2 . ? -0.990 0.301 39.508 1.00 25.95 ? 459 HOH A O 1 HETATM 1108 O O . HOH B 2 . ? -2.363 3.546 40.193 1.00 23.66 ? 460 HOH A O 1 HETATM 1109 O O . HOH B 2 . ? 16.215 4.038 26.284 1.00 24.08 ? 461 HOH A O 1 HETATM 1110 O O . HOH B 2 . ? 7.284 0.918 39.741 1.00 34.38 ? 462 HOH A O 1 HETATM 1111 O O . HOH B 2 . ? 5.347 9.682 25.244 1.00 27.47 ? 463 HOH A O 1 HETATM 1112 O O . HOH B 2 . ? -1.513 -2.546 36.206 1.00 26.90 ? 464 HOH A O 1 HETATM 1113 O O . HOH B 2 . ? 5.523 -4.356 38.967 1.00 21.74 ? 465 HOH A O 1 HETATM 1114 O O . HOH B 2 . ? 8.356 8.377 22.598 1.00 22.76 ? 466 HOH A O 1 HETATM 1115 O O . HOH B 2 . ? -17.836 4.101 15.789 1.00 29.22 ? 467 HOH A O 1 HETATM 1116 O O . HOH B 2 . ? -12.582 0.173 6.340 1.00 39.78 ? 468 HOH A O 1 HETATM 1117 O O . HOH B 2 . ? 4.580 -10.811 30.662 1.00 27.95 ? 469 HOH A O 1 HETATM 1118 O O . HOH B 2 . ? -2.804 -6.970 4.954 1.00 38.65 ? 470 HOH A O 1 HETATM 1119 O O . HOH B 2 . ? 8.779 13.067 15.581 1.00 29.10 ? 471 HOH A O 1 HETATM 1120 O O . HOH B 2 . ? 0.262 10.874 28.311 1.00 25.63 ? 472 HOH A O 1 HETATM 1121 O O . HOH B 2 . ? 16.473 8.263 18.110 1.00 25.91 ? 473 HOH A O 1 HETATM 1122 O O . HOH B 2 . ? 3.098 9.423 30.315 1.00 28.17 ? 474 HOH A O 1 HETATM 1123 O O . HOH B 2 . ? -1.498 -4.471 34.564 1.00 37.03 ? 475 HOH A O 1 HETATM 1124 O O . HOH B 2 . ? 3.281 -6.788 4.202 1.00 29.19 ? 476 HOH A O 1 HETATM 1125 O O . HOH B 2 . ? 5.561 5.199 37.553 1.00 43.88 ? 477 HOH A O 1 HETATM 1126 O O . HOH B 2 . ? -9.284 -6.955 33.945 1.00 32.46 ? 478 HOH A O 1 HETATM 1127 O O . HOH B 2 . ? -6.403 6.916 16.886 1.00 34.41 ? 479 HOH A O 1 HETATM 1128 O O . HOH B 2 . ? 15.412 6.994 20.375 1.00 27.07 ? 480 HOH A O 1 HETATM 1129 O O . HOH B 2 . ? 1.892 9.471 8.644 1.00 31.86 ? 481 HOH A O 1 HETATM 1130 O O . HOH B 2 . ? 3.284 -9.487 12.979 1.00 39.57 ? 482 HOH A O 1 HETATM 1131 O O . HOH B 2 . ? -2.090 10.623 22.403 1.00 22.82 ? 483 HOH A O 1 HETATM 1132 O O . HOH B 2 . ? 16.446 -6.060 8.066 1.00 33.10 ? 484 HOH A O 1 HETATM 1133 O O . HOH B 2 . ? -14.145 6.096 14.934 1.00 27.07 ? 485 HOH A O 1 HETATM 1134 O O . HOH B 2 . ? 6.958 -4.683 33.133 1.00 32.59 ? 486 HOH A O 1 HETATM 1135 O O . HOH B 2 . ? 0.166 -2.544 2.378 1.00 38.35 ? 487 HOH A O 1 HETATM 1136 O O . HOH B 2 . ? 17.652 -1.319 8.850 1.00 33.78 ? 488 HOH A O 1 HETATM 1137 O O . HOH B 2 . ? -14.603 2.267 31.116 1.00 33.99 ? 489 HOH A O 1 HETATM 1138 O O . HOH B 2 . ? 19.358 -8.558 19.667 1.00 37.87 ? 490 HOH A O 1 HETATM 1139 O O . HOH B 2 . ? -6.018 -4.778 34.866 1.00 29.19 ? 491 HOH A O 1 HETATM 1140 O O . HOH B 2 . ? -3.762 5.036 18.971 1.00 25.61 ? 492 HOH A O 1 HETATM 1141 O O . HOH B 2 . ? 19.202 0.074 24.378 1.00 20.69 ? 493 HOH A O 1 HETATM 1142 O O . HOH B 2 . ? 11.605 -11.406 12.996 1.00 34.27 ? 494 HOH A O 1 HETATM 1143 O O . HOH B 2 . ? -10.811 4.708 10.881 1.00 26.38 ? 495 HOH A O 1 HETATM 1144 O O . HOH B 2 . ? 7.855 14.113 30.670 1.00 43.32 ? 496 HOH A O 1 HETATM 1145 O O . HOH B 2 . ? -1.816 6.848 2.862 1.00 44.21 ? 497 HOH A O 1 HETATM 1146 O O . HOH B 2 . ? 1.728 10.435 19.860 1.00 28.61 ? 498 HOH A O 1 HETATM 1147 O O . HOH B 2 . ? -15.278 5.943 22.365 1.00 23.34 ? 499 HOH A O 1 HETATM 1148 O O . HOH B 2 . ? 16.079 12.448 22.947 1.00 49.65 ? 500 HOH A O 1 HETATM 1149 O O . HOH B 2 . ? -17.570 5.803 21.028 1.00 35.25 ? 501 HOH A O 1 HETATM 1150 O O . HOH B 2 . ? -11.999 -5.384 17.955 1.00 22.43 ? 502 HOH A O 1 HETATM 1151 O O . HOH B 2 . ? 7.973 5.736 36.069 1.00 24.60 ? 503 HOH A O 1 HETATM 1152 O O . HOH B 2 . ? -20.126 4.413 23.487 1.00 23.36 ? 504 HOH A O 1 HETATM 1153 O O . HOH B 2 . ? -21.020 3.624 19.909 1.00 24.37 ? 505 HOH A O 1 HETATM 1154 O O . HOH B 2 . ? -4.023 7.654 18.255 1.00 32.30 ? 506 HOH A O 1 HETATM 1155 O O . HOH B 2 . ? -12.069 -2.034 28.034 1.00 22.36 ? 507 HOH A O 1 HETATM 1156 O O . HOH B 2 . ? -3.970 -10.322 28.700 1.00 33.82 ? 508 HOH A O 1 HETATM 1157 O O . HOH B 2 . ? 3.849 -11.398 11.162 1.00 29.32 ? 509 HOH A O 1 HETATM 1158 O O . HOH B 2 . ? -18.884 4.315 18.662 1.00 30.70 ? 510 HOH A O 1 HETATM 1159 O O . HOH B 2 . ? 21.083 -1.445 25.642 1.00 24.66 ? 511 HOH A O 1 HETATM 1160 O O . HOH B 2 . ? -5.866 15.390 28.686 1.00 33.14 ? 512 HOH A O 1 HETATM 1161 O O . HOH B 2 . ? -1.058 -10.878 19.782 1.00 40.60 ? 513 HOH A O 1 HETATM 1162 O O . HOH B 2 . ? 15.960 10.846 18.284 1.00 45.68 ? 514 HOH A O 1 HETATM 1163 O O . HOH B 2 . ? -19.419 6.621 22.417 1.00 34.04 ? 515 HOH A O 1 HETATM 1164 O O . HOH B 2 . ? 8.374 15.750 15.395 1.00 38.65 ? 516 HOH A O 1 HETATM 1165 O O . HOH B 2 . ? -14.944 6.081 29.880 1.00 27.43 ? 517 HOH A O 1 HETATM 1166 O O . HOH B 2 . ? 6.969 -5.999 35.367 1.00 37.86 ? 518 HOH A O 1 HETATM 1167 O O . HOH B 2 . ? -9.471 -10.614 13.838 1.00 35.23 ? 519 HOH A O 1 HETATM 1168 O O . HOH B 2 . ? -4.769 -11.013 23.258 1.00 30.20 ? 520 HOH A O 1 HETATM 1169 O O . HOH B 2 . ? -16.931 6.463 15.516 1.00 40.56 ? 521 HOH A O 1 HETATM 1170 O O . HOH B 2 . ? 4.163 9.211 6.851 1.00 31.80 ? 522 HOH A O 1 HETATM 1171 O O . HOH B 2 . ? 0.692 11.959 22.338 1.00 34.91 ? 523 HOH A O 1 HETATM 1172 O O . HOH B 2 . ? 12.529 -13.346 17.002 1.00 40.73 ? 524 HOH A O 1 HETATM 1173 O O . HOH B 2 . ? 10.380 11.292 20.402 1.00 39.65 ? 525 HOH A O 1 HETATM 1174 O O . HOH B 2 . ? 6.481 9.115 20.882 1.00 43.57 ? 526 HOH A O 1 HETATM 1175 O O . HOH B 2 . ? -11.394 -6.764 10.479 1.00 35.16 ? 527 HOH A O 1 HETATM 1176 O O . HOH B 2 . ? -2.381 -3.130 2.424 1.00 32.72 ? 528 HOH A O 1 HETATM 1177 O O . HOH B 2 . ? -9.089 -9.325 24.823 1.00 44.53 ? 529 HOH A O 1 HETATM 1178 O O . HOH B 2 . ? -13.118 0.463 32.905 1.00 29.22 ? 530 HOH A O 1 HETATM 1179 O O . HOH B 2 . ? 13.146 -9.316 9.562 1.00 48.73 ? 531 HOH A O 1 HETATM 1180 O O . HOH B 2 . ? -7.102 -5.242 37.677 1.00 44.37 ? 532 HOH A O 1 HETATM 1181 O O . HOH B 2 . ? -15.148 0.534 29.109 1.00 38.50 ? 533 HOH A O 1 HETATM 1182 O O . HOH B 2 . ? -8.598 5.838 5.559 1.00 48.38 ? 534 HOH A O 1 HETATM 1183 O O . HOH B 2 . ? 18.085 -4.052 8.714 1.00 38.89 ? 535 HOH A O 1 HETATM 1184 O O . HOH B 2 . ? 7.641 3.582 37.605 1.00 41.35 ? 536 HOH A O 1 HETATM 1185 O O . HOH B 2 . ? 18.559 -5.616 10.899 1.00 36.70 ? 537 HOH A O 1 HETATM 1186 O O . HOH B 2 . ? -4.407 9.240 7.443 1.00 33.46 ? 538 HOH A O 1 HETATM 1187 O O . HOH B 2 . ? -3.604 -10.111 19.837 1.00 42.91 ? 539 HOH A O 1 HETATM 1188 O O . HOH B 2 . ? 11.524 10.585 7.303 1.00 40.70 ? 540 HOH A O 1 HETATM 1189 O O . HOH B 2 . ? 16.935 0.899 26.556 1.00 46.08 ? 541 HOH A O 1 HETATM 1190 O O . HOH B 2 . ? 11.034 14.251 9.393 1.00 40.36 ? 542 HOH A O 1 HETATM 1191 O O . HOH B 2 . ? 14.037 4.915 22.953 1.00 41.30 ? 543 HOH A O 1 HETATM 1192 O O . HOH B 2 . ? -15.493 4.048 11.594 1.00 42.54 ? 544 HOH A O 1 HETATM 1193 O O . HOH B 2 . ? 11.296 6.667 6.584 1.00 42.43 ? 545 HOH A O 1 HETATM 1194 O O . HOH B 2 . ? -15.283 -6.014 12.604 1.00 42.15 ? 546 HOH A O 1 HETATM 1195 O O . HOH B 2 . ? 18.241 -6.890 24.819 1.00 40.76 ? 547 HOH A O 1 HETATM 1196 O O . HOH B 2 . ? 3.401 9.468 34.583 1.00 36.67 ? 548 HOH A O 1 HETATM 1197 O O . HOH B 2 . ? -0.117 -9.671 34.206 1.00 39.50 ? 549 HOH A O 1 HETATM 1198 O O . HOH B 2 . ? 17.911 -6.705 21.716 1.00 38.90 ? 550 HOH A O 1 HETATM 1199 O O . HOH B 2 . ? -14.756 -5.446 16.333 1.00 31.91 ? 551 HOH A O 1 HETATM 1200 O O . HOH B 2 . ? 13.250 11.116 21.143 1.00 46.41 ? 552 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 CYS 1 1 1 CYS CYS A . n A 1 2 LEU 2 2 2 LEU LEU A . n A 1 3 ALA 3 3 3 ALA ALA A . n A 1 4 GLU 4 4 4 GLU GLU A . n A 1 5 GLY 5 5 5 GLY GLY A . n A 1 6 THR 6 6 6 THR THR A . n A 1 7 ARG 7 7 7 ARG ARG A . n A 1 8 ILE 8 8 8 ILE ILE A . n A 1 9 PHE 9 9 9 PHE PHE A . n A 1 10 ASP 10 10 10 ASP ASP A . n A 1 11 PRO 11 11 11 PRO PRO A . n A 1 12 VAL 12 12 12 VAL VAL A . n A 1 13 THR 13 13 13 THR THR A . n A 1 14 GLY 14 14 14 GLY GLY A . n A 1 15 THR 15 15 15 THR THR A . n A 1 16 THR 16 16 16 THR THR A . n A 1 17 HIS 17 17 17 HIS HIS A . n A 1 18 ARG 18 18 18 ARG ARG A . n A 1 19 ILE 19 19 19 ILE ILE A . n A 1 20 GLU 20 20 20 GLU GLU A . n A 1 21 ASP 21 21 21 ASP ASP A . n A 1 22 VAL 22 22 22 VAL VAL A . n A 1 23 VAL 23 23 23 VAL VAL A . n A 1 24 ASP 24 24 24 ASP ASP A . n A 1 25 GLY 25 25 25 GLY GLY A . n A 1 26 ARG 26 26 26 ARG ARG A . n A 1 27 LYS 27 27 27 LYS LYS A . n A 1 28 PRO 28 28 28 PRO PRO A . n A 1 29 ILE 29 29 29 ILE ILE A . n A 1 30 HIS 30 30 30 HIS HIS A . n A 1 31 VAL 31 31 31 VAL VAL A . n A 1 32 VAL 32 32 32 VAL VAL A . n A 1 33 ALA 33 33 33 ALA ALA A . n A 1 34 ALA 34 34 34 ALA ALA A . n A 1 35 ALA 35 35 35 ALA ALA A . n A 1 36 LYS 36 36 36 LYS LYS A . n A 1 37 ASP 37 37 37 ASP ASP A . n A 1 38 GLY 38 38 38 GLY GLY A . n A 1 39 THR 39 39 39 THR THR A . n A 1 40 LEU 40 40 40 LEU LEU A . n A 1 41 HIS 41 41 41 HIS HIS A . n A 1 42 ALA 42 42 42 ALA ALA A . n A 1 43 ARG 43 43 43 ARG ARG A . n A 1 44 PRO 44 44 44 PRO PRO A . n A 1 45 VAL 45 45 45 VAL VAL A . n A 1 46 VAL 46 46 46 VAL VAL A . n A 1 47 SER 47 47 47 SER SER A . n A 1 48 TRP 48 48 48 TRP TRP A . n A 1 49 PHE 49 49 49 PHE PHE A . n A 1 50 ASP 50 50 50 ASP ASP A . n A 1 51 GLN 51 51 51 GLN GLN A . n A 1 52 GLY 52 52 52 GLY GLY A . n A 1 53 THR 53 53 53 THR THR A . n A 1 54 ARG 54 54 54 ARG ARG A . n A 1 55 ASP 55 55 55 ASP ASP A . n A 1 56 VAL 56 56 56 VAL VAL A . n A 1 57 ILE 57 57 57 ILE ILE A . n A 1 58 GLY 58 58 58 GLY GLY A . n A 1 59 LEU 59 59 59 LEU LEU A . n A 1 60 ARG 60 60 60 ARG ARG A . n A 1 61 ILE 61 61 61 ILE ILE A . n A 1 62 ALA 62 62 62 ALA ALA A . n A 1 63 GLY 63 63 63 GLY GLY A . n A 1 64 GLY 64 64 64 GLY GLY A . n A 1 65 ALA 65 65 65 ALA ALA A . n A 1 66 ILE 66 66 66 ILE ILE A . n A 1 67 LEU 67 67 67 LEU LEU A . n A 1 68 TRP 68 68 68 TRP TRP A . n A 1 69 ALA 69 69 69 ALA ALA A . n A 1 70 THR 70 70 70 THR THR A . n A 1 71 PRO 71 71 71 PRO PRO A . n A 1 72 ASP 72 72 72 ASP ASP A . n A 1 73 HIS 73 73 73 HIS HIS A . n A 1 74 LYS 74 74 74 LYS LYS A . n A 1 75 VAL 75 75 75 VAL VAL A . n A 1 76 LEU 76 76 76 LEU LEU A . n A 1 77 THR 77 77 77 THR THR A . n A 1 78 GLU 78 78 78 GLU GLU A . n A 1 79 TYR 79 79 79 TYR TYR A . n A 1 80 GLY 80 80 80 GLY GLY A . n A 1 81 TRP 81 81 81 TRP TRP A . n A 1 82 ARG 82 82 82 ARG ARG A . n A 1 83 ALA 83 83 83 ALA ALA A . n A 1 84 ALA 84 84 84 ALA ALA A . n A 1 85 GLY 85 85 85 GLY GLY A . n A 1 86 GLU 86 86 86 GLU GLU A . n A 1 87 LEU 87 87 87 LEU LEU A . n A 1 88 ARG 88 88 88 ARG ARG A . n A 1 89 LYS 89 89 89 LYS LYS A . n A 1 90 GLY 90 90 90 GLY GLY A . n A 1 91 ASP 91 91 91 ASP ASP A . n A 1 92 ARG 92 92 92 ARG ARG A . n A 1 93 VAL 93 93 93 VAL VAL A . n A 1 94 ALA 94 94 94 ALA ALA A . n A 1 95 VAL 95 95 95 VAL VAL A . n A 1 96 ARG 96 96 96 ARG ARG A . n A 1 97 ASP 97 97 97 ASP ASP A . n A 1 98 VAL 98 98 98 VAL VAL A . n A 1 99 GLU 99 99 99 GLU GLU A . n A 1 100 THR 100 100 100 THR THR A . n A 1 101 GLY 101 101 101 GLY GLY A . n A 1 102 GLU 102 102 102 GLU GLU A . n A 1 103 LEU 103 404 404 LEU LEU A . n A 1 104 ARG 104 405 405 ARG ARG A . n A 1 105 TYR 105 406 406 TYR TYR A . n A 1 106 SER 106 407 407 SER SER A . n A 1 107 VAL 107 408 408 VAL VAL A . n A 1 108 ILE 108 409 409 ILE ILE A . n A 1 109 ARG 109 410 410 ARG ARG A . n A 1 110 GLU 110 411 411 GLU GLU A . n A 1 111 VAL 111 412 412 VAL VAL A . n A 1 112 LEU 112 413 413 LEU LEU A . n A 1 113 PRO 113 414 414 PRO PRO A . n A 1 114 THR 114 415 415 THR THR A . n A 1 115 ARG 115 416 416 ARG ARG A . n A 1 116 ARG 116 417 417 ARG ARG A . n A 1 117 ALA 117 418 418 ALA ALA A . n A 1 118 ARG 118 419 419 ARG ARG A . n A 1 119 THR 119 420 420 THR THR A . n A 1 120 PHE 120 421 421 PHE PHE A . n A 1 121 ASP 121 422 422 ASP ASP A . n A 1 122 LEU 122 423 423 LEU LEU A . n A 1 123 GLU 123 424 424 GLU GLU A . n A 1 124 VAL 124 425 425 VAL VAL A . n A 1 125 GLU 125 426 426 GLU GLU A . n A 1 126 GLU 126 427 427 GLU GLU A . n A 1 127 LEU 127 428 428 LEU LEU A . n A 1 128 HIS 128 429 429 HIS HIS A . n A 1 129 THR 129 430 430 THR THR A . n A 1 130 LEU 130 431 431 LEU LEU A . n A 1 131 VAL 131 432 432 VAL VAL A . n A 1 132 ALA 132 433 433 ALA ALA A . n A 1 133 GLU 133 434 434 GLU GLU A . n A 1 134 GLY 134 435 435 GLY GLY A . n A 1 135 VAL 135 436 436 VAL VAL A . n A 1 136 VAL 136 437 437 VAL VAL A . n A 1 137 VAL 137 438 438 VAL VAL A . n A 1 138 HIS 138 439 439 HIS HIS A . n A 1 139 ASN 139 440 440 ASN ASN 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 1 441 1 HOH WAT A . B 2 HOH 2 442 2 HOH WAT A . B 2 HOH 3 443 3 HOH WAT A . B 2 HOH 4 444 4 HOH WAT A . B 2 HOH 5 445 5 HOH WAT A . B 2 HOH 6 446 6 HOH WAT A . B 2 HOH 7 447 7 HOH WAT A . B 2 HOH 8 448 8 HOH WAT A . B 2 HOH 9 449 9 HOH WAT A . B 2 HOH 10 450 10 HOH WAT A . B 2 HOH 11 451 11 HOH WAT A . B 2 HOH 12 452 12 HOH WAT A . B 2 HOH 13 453 13 HOH WAT A . B 2 HOH 14 454 14 HOH WAT A . B 2 HOH 15 455 15 HOH WAT A . B 2 HOH 16 456 16 HOH WAT A . B 2 HOH 17 457 17 HOH WAT A . B 2 HOH 18 458 18 HOH WAT A . B 2 HOH 19 459 19 HOH WAT A . B 2 HOH 20 460 20 HOH WAT A . B 2 HOH 21 461 21 HOH WAT A . B 2 HOH 22 462 22 HOH WAT A . B 2 HOH 23 463 23 HOH WAT A . B 2 HOH 24 464 24 HOH WAT A . B 2 HOH 25 465 25 HOH WAT A . B 2 HOH 26 466 26 HOH WAT A . B 2 HOH 27 467 27 HOH WAT A . B 2 HOH 28 468 28 HOH WAT A . B 2 HOH 29 469 29 HOH WAT A . B 2 HOH 30 470 30 HOH WAT A . B 2 HOH 31 471 31 HOH WAT A . B 2 HOH 32 472 32 HOH WAT A . B 2 HOH 33 473 33 HOH WAT A . B 2 HOH 34 474 34 HOH WAT A . B 2 HOH 35 475 35 HOH WAT A . B 2 HOH 36 476 36 HOH WAT A . B 2 HOH 37 477 37 HOH WAT A . B 2 HOH 38 478 38 HOH WAT A . B 2 HOH 39 479 39 HOH WAT A . B 2 HOH 40 480 40 HOH WAT A . B 2 HOH 41 481 41 HOH WAT A . B 2 HOH 42 482 42 HOH WAT A . B 2 HOH 43 483 43 HOH WAT A . B 2 HOH 44 484 44 HOH WAT A . B 2 HOH 45 485 45 HOH WAT A . B 2 HOH 46 486 46 HOH WAT A . B 2 HOH 47 487 47 HOH WAT A . B 2 HOH 48 488 48 HOH WAT A . B 2 HOH 49 489 49 HOH WAT A . B 2 HOH 50 490 50 HOH WAT A . B 2 HOH 51 491 51 HOH WAT A . B 2 HOH 52 492 52 HOH WAT A . B 2 HOH 53 493 53 HOH WAT A . B 2 HOH 54 494 54 HOH WAT A . B 2 HOH 55 495 55 HOH WAT A . B 2 HOH 56 496 56 HOH WAT A . B 2 HOH 57 497 57 HOH WAT A . B 2 HOH 58 498 58 HOH WAT A . B 2 HOH 59 499 59 HOH WAT A . B 2 HOH 60 500 60 HOH WAT A . B 2 HOH 61 501 61 HOH WAT A . B 2 HOH 62 502 62 HOH WAT A . B 2 HOH 63 503 63 HOH WAT A . B 2 HOH 64 504 64 HOH WAT A . B 2 HOH 65 505 65 HOH WAT A . B 2 HOH 66 506 66 HOH WAT A . B 2 HOH 67 507 67 HOH WAT A . B 2 HOH 68 508 68 HOH WAT A . B 2 HOH 69 509 69 HOH WAT A . B 2 HOH 70 510 70 HOH WAT A . B 2 HOH 71 511 71 HOH WAT A . B 2 HOH 72 512 72 HOH WAT A . B 2 HOH 73 513 73 HOH WAT A . B 2 HOH 74 514 74 HOH WAT A . B 2 HOH 75 515 75 HOH WAT A . B 2 HOH 76 516 76 HOH WAT A . B 2 HOH 77 517 77 HOH WAT A . B 2 HOH 78 518 78 HOH WAT A . B 2 HOH 79 519 79 HOH WAT A . B 2 HOH 80 520 80 HOH WAT A . B 2 HOH 81 521 81 HOH WAT A . B 2 HOH 82 522 82 HOH WAT A . B 2 HOH 83 523 83 HOH WAT A . B 2 HOH 84 524 84 HOH WAT A . B 2 HOH 85 525 85 HOH WAT A . B 2 HOH 86 526 86 HOH WAT A . B 2 HOH 87 527 87 HOH WAT A . B 2 HOH 88 528 88 HOH WAT A . B 2 HOH 89 529 89 HOH WAT A . B 2 HOH 90 530 90 HOH WAT A . B 2 HOH 91 531 91 HOH WAT A . B 2 HOH 92 532 92 HOH WAT A . B 2 HOH 93 533 93 HOH WAT A . B 2 HOH 94 534 94 HOH WAT A . B 2 HOH 95 535 95 HOH WAT A . B 2 HOH 96 536 96 HOH WAT A . B 2 HOH 97 537 97 HOH WAT A . B 2 HOH 98 538 98 HOH WAT A . B 2 HOH 99 539 99 HOH WAT A . B 2 HOH 100 540 100 HOH WAT A . B 2 HOH 101 541 101 HOH WAT A . B 2 HOH 102 542 102 HOH WAT A . B 2 HOH 103 543 103 HOH WAT A . B 2 HOH 104 544 104 HOH WAT A . B 2 HOH 105 545 105 HOH WAT A . B 2 HOH 106 546 106 HOH WAT A . B 2 HOH 107 547 107 HOH WAT A . B 2 HOH 108 548 108 HOH WAT A . B 2 HOH 109 549 109 HOH WAT A . B 2 HOH 110 550 110 HOH WAT A . B 2 HOH 111 551 111 HOH WAT A . B 2 HOH 112 552 112 HOH WAT 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 2007-05-01 2 'Structure model' 1 1 2008-05-01 3 'Structure model' 1 2 2011-07-13 4 'Structure model' 1 3 2017-08-16 5 'Structure model' 1 4 2021-10-20 6 'Structure model' 1 5 2023-08-30 # _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_details.details ? # 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' 3 4 'Structure model' 'Source and taxonomy' 4 5 'Structure model' 'Database references' 5 6 'Structure model' 'Data collection' 6 6 'Structure model' 'Refinement description' # loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 4 'Structure model' entity_src_gen 2 5 'Structure model' database_2 3 5 'Structure model' struct_ref_seq_dif 4 6 'Structure model' chem_comp_atom 5 6 'Structure model' chem_comp_bond 6 6 'Structure model' pdbx_initial_refinement_model # loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 5 'Structure model' '_database_2.pdbx_DOI' 2 5 'Structure model' '_database_2.pdbx_database_accession' 3 5 'Structure model' '_struct_ref_seq_dif.details' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal CNS refinement 1.1 ? 1 CrystalClear 'data collection' '(MSC/RIGAKU)' ? 2 CrystalClear 'data reduction' '(MSC/RIGAKU)' ? 3 CrystalClear 'data scaling' '(MSC/RIGAKU)' ? 4 PHASER phasing . ? 5 # _pdbx_validate_torsion.id 1 _pdbx_validate_torsion.PDB_model_num 1 _pdbx_validate_torsion.auth_comp_id GLU _pdbx_validate_torsion.auth_asym_id A _pdbx_validate_torsion.auth_seq_id 427 _pdbx_validate_torsion.PDB_ins_code ? _pdbx_validate_torsion.label_alt_id ? _pdbx_validate_torsion.phi 65.51 _pdbx_validate_torsion.psi -55.11 # loop_ _chem_comp_atom.comp_id _chem_comp_atom.atom_id _chem_comp_atom.type_symbol _chem_comp_atom.pdbx_aromatic_flag _chem_comp_atom.pdbx_stereo_config _chem_comp_atom.pdbx_ordinal ALA N N N N 1 ALA CA C N S 2 ALA C C N N 3 ALA O O N N 4 ALA CB C N N 5 ALA OXT O N N 6 ALA H H N N 7 ALA H2 H N N 8 ALA HA H N N 9 ALA HB1 H N N 10 ALA HB2 H N N 11 ALA HB3 H N N 12 ALA HXT H N N 13 ARG N N N N 14 ARG CA C N S 15 ARG C C N N 16 ARG O O N N 17 ARG CB C N N 18 ARG CG C N N 19 ARG CD C N N 20 ARG NE N N N 21 ARG CZ C N N 22 ARG NH1 N N N 23 ARG NH2 N N N 24 ARG OXT O N N 25 ARG H H N N 26 ARG H2 H N N 27 ARG HA H N N 28 ARG HB2 H N N 29 ARG HB3 H N N 30 ARG HG2 H N N 31 ARG HG3 H N N 32 ARG HD2 H N N 33 ARG HD3 H N N 34 ARG HE H N N 35 ARG HH11 H N N 36 ARG HH12 H N N 37 ARG HH21 H N N 38 ARG HH22 H N N 39 ARG HXT H N N 40 ASN N N N N 41 ASN CA C N S 42 ASN C C N N 43 ASN O O N N 44 ASN CB C N N 45 ASN CG C N N 46 ASN OD1 O N N 47 ASN ND2 N N N 48 ASN OXT O N N 49 ASN H H N N 50 ASN H2 H N N 51 ASN HA H N N 52 ASN HB2 H N N 53 ASN HB3 H N N 54 ASN HD21 H N N 55 ASN HD22 H N N 56 ASN HXT H N N 57 ASP N N N N 58 ASP CA C N S 59 ASP C C N N 60 ASP O O N N 61 ASP CB C N N 62 ASP CG C N N 63 ASP OD1 O N N 64 ASP OD2 O N N 65 ASP OXT O N N 66 ASP H H N N 67 ASP H2 H N N 68 ASP HA H N N 69 ASP HB2 H N N 70 ASP HB3 H N N 71 ASP HD2 H N N 72 ASP HXT H N N 73 CYS N N N N 74 CYS CA C N R 75 CYS C C N N 76 CYS O O N N 77 CYS CB C N N 78 CYS SG S N N 79 CYS OXT O N N 80 CYS H H N N 81 CYS H2 H N N 82 CYS HA H N N 83 CYS HB2 H N N 84 CYS HB3 H N N 85 CYS HG H N N 86 CYS HXT H N N 87 GLN N N N N 88 GLN CA C N S 89 GLN C C N N 90 GLN O O N N 91 GLN CB C N N 92 GLN CG C N N 93 GLN CD C N N 94 GLN OE1 O N N 95 GLN NE2 N N N 96 GLN OXT O N N 97 GLN H H N N 98 GLN H2 H N N 99 GLN HA H N N 100 GLN HB2 H N N 101 GLN HB3 H N N 102 GLN HG2 H N N 103 GLN HG3 H N N 104 GLN HE21 H N N 105 GLN HE22 H N N 106 GLN HXT H N N 107 GLU N N N N 108 GLU CA C N S 109 GLU C C N N 110 GLU O O N N 111 GLU CB C N N 112 GLU CG C N N 113 GLU CD C N N 114 GLU OE1 O N N 115 GLU OE2 O N N 116 GLU OXT O N N 117 GLU H H N N 118 GLU H2 H N N 119 GLU HA H N N 120 GLU HB2 H N N 121 GLU HB3 H N N 122 GLU HG2 H N N 123 GLU HG3 H N N 124 GLU HE2 H N N 125 GLU HXT H N N 126 GLY N N N N 127 GLY CA C N N 128 GLY C C N N 129 GLY O O N N 130 GLY OXT O N N 131 GLY H H N N 132 GLY H2 H N N 133 GLY HA2 H N N 134 GLY HA3 H N N 135 GLY HXT H N N 136 HIS N N N N 137 HIS CA C N S 138 HIS C C N N 139 HIS O O N N 140 HIS CB C N N 141 HIS CG C Y N 142 HIS ND1 N Y N 143 HIS CD2 C Y N 144 HIS CE1 C Y N 145 HIS NE2 N Y N 146 HIS OXT O N N 147 HIS H H N N 148 HIS H2 H N N 149 HIS HA H N N 150 HIS HB2 H N N 151 HIS HB3 H N N 152 HIS HD1 H N N 153 HIS HD2 H N N 154 HIS HE1 H N N 155 HIS HE2 H N N 156 HIS HXT H N N 157 HOH O O N N 158 HOH H1 H N N 159 HOH H2 H N N 160 ILE N N N N 161 ILE CA C N S 162 ILE C C N N 163 ILE O O N N 164 ILE CB C N S 165 ILE CG1 C N N 166 ILE CG2 C N N 167 ILE CD1 C N N 168 ILE OXT O N N 169 ILE H H N N 170 ILE H2 H N N 171 ILE HA H N N 172 ILE HB H N N 173 ILE HG12 H N N 174 ILE HG13 H N N 175 ILE HG21 H N N 176 ILE HG22 H N N 177 ILE HG23 H N N 178 ILE HD11 H N N 179 ILE HD12 H N N 180 ILE HD13 H N N 181 ILE HXT H N N 182 LEU N N N N 183 LEU CA C N S 184 LEU C C N N 185 LEU O O N N 186 LEU CB C N N 187 LEU CG C N N 188 LEU CD1 C N N 189 LEU CD2 C N N 190 LEU OXT O N N 191 LEU H H N N 192 LEU H2 H N N 193 LEU HA H N N 194 LEU HB2 H N N 195 LEU HB3 H N N 196 LEU HG H N N 197 LEU HD11 H N N 198 LEU HD12 H N N 199 LEU HD13 H N N 200 LEU HD21 H N N 201 LEU HD22 H N N 202 LEU HD23 H N N 203 LEU HXT H N N 204 LYS N N N N 205 LYS CA C N S 206 LYS C C N N 207 LYS O O N N 208 LYS CB C N N 209 LYS CG C N N 210 LYS CD C N N 211 LYS CE C N N 212 LYS NZ N N N 213 LYS OXT O N N 214 LYS H H N N 215 LYS H2 H N N 216 LYS HA H N N 217 LYS HB2 H N N 218 LYS HB3 H N N 219 LYS HG2 H N N 220 LYS HG3 H N N 221 LYS HD2 H N N 222 LYS HD3 H N N 223 LYS HE2 H N N 224 LYS HE3 H N N 225 LYS HZ1 H N N 226 LYS HZ2 H N N 227 LYS HZ3 H N N 228 LYS HXT H N N 229 PHE N N N N 230 PHE CA C N S 231 PHE C C N N 232 PHE O O N N 233 PHE CB C N N 234 PHE CG C Y N 235 PHE CD1 C Y N 236 PHE CD2 C Y N 237 PHE CE1 C Y N 238 PHE CE2 C Y N 239 PHE CZ C Y N 240 PHE OXT O N N 241 PHE H H N N 242 PHE H2 H N N 243 PHE HA H N N 244 PHE HB2 H N N 245 PHE HB3 H N N 246 PHE HD1 H N N 247 PHE HD2 H N N 248 PHE HE1 H N N 249 PHE HE2 H N N 250 PHE HZ H N N 251 PHE HXT H N N 252 PRO N N N N 253 PRO CA C N S 254 PRO C C N N 255 PRO O O N N 256 PRO CB C N N 257 PRO CG C N N 258 PRO CD C N N 259 PRO OXT O N N 260 PRO H H N N 261 PRO HA H N N 262 PRO HB2 H N N 263 PRO HB3 H N N 264 PRO HG2 H N N 265 PRO HG3 H N N 266 PRO HD2 H N N 267 PRO HD3 H N N 268 PRO HXT H N N 269 SER N N N N 270 SER CA C N S 271 SER C C N N 272 SER O O N N 273 SER CB C N N 274 SER OG O N N 275 SER OXT O N N 276 SER H H N N 277 SER H2 H N N 278 SER HA H N N 279 SER HB2 H N N 280 SER HB3 H N N 281 SER HG H N N 282 SER HXT H N N 283 THR N N N N 284 THR CA C N S 285 THR C C N N 286 THR O O N N 287 THR CB C N R 288 THR OG1 O N N 289 THR CG2 C N N 290 THR OXT O N N 291 THR H H N N 292 THR H2 H N N 293 THR HA H N N 294 THR HB H N N 295 THR HG1 H N N 296 THR HG21 H N N 297 THR HG22 H N N 298 THR HG23 H N N 299 THR HXT H N N 300 TRP N N N N 301 TRP CA C N S 302 TRP C C N N 303 TRP O O N N 304 TRP CB C N N 305 TRP CG C Y N 306 TRP CD1 C Y N 307 TRP CD2 C Y N 308 TRP NE1 N Y N 309 TRP CE2 C Y N 310 TRP CE3 C Y N 311 TRP CZ2 C Y N 312 TRP CZ3 C Y N 313 TRP CH2 C Y N 314 TRP OXT O N N 315 TRP H H N N 316 TRP H2 H N N 317 TRP HA H N N 318 TRP HB2 H N N 319 TRP HB3 H N N 320 TRP HD1 H N N 321 TRP HE1 H N N 322 TRP HE3 H N N 323 TRP HZ2 H N N 324 TRP HZ3 H N N 325 TRP HH2 H N N 326 TRP HXT H N N 327 TYR N N N N 328 TYR CA C N S 329 TYR C C N N 330 TYR O O N N 331 TYR CB C N N 332 TYR CG C Y N 333 TYR CD1 C Y N 334 TYR CD2 C Y N 335 TYR CE1 C Y N 336 TYR CE2 C Y N 337 TYR CZ C Y N 338 TYR OH O N N 339 TYR OXT O N N 340 TYR H H N N 341 TYR H2 H N N 342 TYR HA H N N 343 TYR HB2 H N N 344 TYR HB3 H N N 345 TYR HD1 H N N 346 TYR HD2 H N N 347 TYR HE1 H N N 348 TYR HE2 H N N 349 TYR HH H N N 350 TYR HXT H N N 351 VAL N N N N 352 VAL CA C N S 353 VAL C C N N 354 VAL O O N N 355 VAL CB C N N 356 VAL CG1 C N N 357 VAL CG2 C N N 358 VAL OXT O N N 359 VAL H H N N 360 VAL H2 H N N 361 VAL HA H N N 362 VAL HB H N N 363 VAL HG11 H N N 364 VAL HG12 H N N 365 VAL HG13 H N N 366 VAL HG21 H N N 367 VAL HG22 H N N 368 VAL HG23 H N N 369 VAL HXT H N N 370 # loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.value_order _chem_comp_bond.pdbx_aromatic_flag _chem_comp_bond.pdbx_stereo_config _chem_comp_bond.pdbx_ordinal ALA N CA sing N N 1 ALA N H sing N N 2 ALA N H2 sing N N 3 ALA CA C sing N N 4 ALA CA CB sing N N 5 ALA CA HA sing N N 6 ALA C O doub N N 7 ALA C OXT sing N N 8 ALA CB HB1 sing N N 9 ALA CB HB2 sing N N 10 ALA CB HB3 sing N N 11 ALA OXT HXT sing N N 12 ARG N CA sing N N 13 ARG N H sing N N 14 ARG N H2 sing N N 15 ARG CA C sing N N 16 ARG CA CB sing N N 17 ARG CA HA sing N N 18 ARG C O doub N N 19 ARG C OXT sing N N 20 ARG CB CG sing N N 21 ARG CB HB2 sing N N 22 ARG CB HB3 sing N N 23 ARG CG CD sing N N 24 ARG CG HG2 sing N N 25 ARG CG HG3 sing N N 26 ARG CD NE sing N N 27 ARG CD HD2 sing N N 28 ARG CD HD3 sing N N 29 ARG NE CZ sing N N 30 ARG NE HE sing N N 31 ARG CZ NH1 sing N N 32 ARG CZ NH2 doub N N 33 ARG NH1 HH11 sing N N 34 ARG NH1 HH12 sing N N 35 ARG NH2 HH21 sing N N 36 ARG NH2 HH22 sing N N 37 ARG OXT HXT sing N N 38 ASN N CA sing N N 39 ASN N H sing N N 40 ASN N H2 sing N N 41 ASN CA C sing N N 42 ASN CA CB sing N N 43 ASN CA HA sing N N 44 ASN C O doub N N 45 ASN C OXT sing N N 46 ASN CB CG sing N N 47 ASN CB HB2 sing N N 48 ASN CB HB3 sing N N 49 ASN CG OD1 doub N N 50 ASN CG ND2 sing N N 51 ASN ND2 HD21 sing N N 52 ASN ND2 HD22 sing N N 53 ASN OXT HXT sing N N 54 ASP N CA sing N N 55 ASP N H sing N N 56 ASP N H2 sing N N 57 ASP CA C sing N N 58 ASP CA CB sing N N 59 ASP CA HA sing N N 60 ASP C O doub N N 61 ASP C OXT sing N N 62 ASP CB CG sing N N 63 ASP CB HB2 sing N N 64 ASP CB HB3 sing N N 65 ASP CG OD1 doub N N 66 ASP CG OD2 sing N N 67 ASP OD2 HD2 sing N N 68 ASP OXT HXT sing N N 69 CYS N CA sing N N 70 CYS N H sing N N 71 CYS N H2 sing N N 72 CYS CA C sing N N 73 CYS CA CB sing N N 74 CYS CA HA sing N N 75 CYS C O doub N N 76 CYS C OXT sing N N 77 CYS CB SG sing N N 78 CYS CB HB2 sing N N 79 CYS CB HB3 sing N N 80 CYS SG HG sing N N 81 CYS OXT HXT sing N N 82 GLN N CA sing N N 83 GLN N H sing N N 84 GLN N H2 sing N N 85 GLN CA C sing N N 86 GLN CA CB sing N N 87 GLN CA HA sing N N 88 GLN C O doub N N 89 GLN C OXT sing N N 90 GLN CB CG sing N N 91 GLN CB HB2 sing N N 92 GLN CB HB3 sing N N 93 GLN CG CD sing N N 94 GLN CG HG2 sing N N 95 GLN CG HG3 sing N N 96 GLN CD OE1 doub N N 97 GLN CD NE2 sing N N 98 GLN NE2 HE21 sing N N 99 GLN NE2 HE22 sing N N 100 GLN OXT HXT sing N N 101 GLU N CA sing N N 102 GLU N H sing N N 103 GLU N H2 sing N N 104 GLU CA C sing N N 105 GLU CA CB sing N N 106 GLU CA HA sing N N 107 GLU C O doub N N 108 GLU C OXT sing N N 109 GLU CB CG sing N N 110 GLU CB HB2 sing N N 111 GLU CB HB3 sing N N 112 GLU CG CD sing N N 113 GLU CG HG2 sing N N 114 GLU CG HG3 sing N N 115 GLU CD OE1 doub N N 116 GLU CD OE2 sing N N 117 GLU OE2 HE2 sing N N 118 GLU OXT HXT sing N N 119 GLY N CA sing N N 120 GLY N H sing N N 121 GLY N H2 sing N N 122 GLY CA C sing N N 123 GLY CA HA2 sing N N 124 GLY CA HA3 sing N N 125 GLY C O doub N N 126 GLY C OXT sing N N 127 GLY OXT HXT sing N N 128 HIS N CA sing N N 129 HIS N H sing N N 130 HIS N H2 sing N N 131 HIS CA C sing N N 132 HIS CA CB sing N N 133 HIS CA HA sing N N 134 HIS C O doub N N 135 HIS C OXT sing N N 136 HIS CB CG sing N N 137 HIS CB HB2 sing N N 138 HIS CB HB3 sing N N 139 HIS CG ND1 sing Y N 140 HIS CG CD2 doub Y N 141 HIS ND1 CE1 doub Y N 142 HIS ND1 HD1 sing N N 143 HIS CD2 NE2 sing Y N 144 HIS CD2 HD2 sing N N 145 HIS CE1 NE2 sing Y N 146 HIS CE1 HE1 sing N N 147 HIS NE2 HE2 sing N N 148 HIS OXT HXT sing N N 149 HOH O H1 sing N N 150 HOH O H2 sing N N 151 ILE N CA sing N N 152 ILE N H sing N N 153 ILE N H2 sing N N 154 ILE CA C sing N N 155 ILE CA CB sing N N 156 ILE CA HA sing N N 157 ILE C O doub N N 158 ILE C OXT sing N N 159 ILE CB CG1 sing N N 160 ILE CB CG2 sing N N 161 ILE CB HB sing N N 162 ILE CG1 CD1 sing N N 163 ILE CG1 HG12 sing N N 164 ILE CG1 HG13 sing N N 165 ILE CG2 HG21 sing N N 166 ILE CG2 HG22 sing N N 167 ILE CG2 HG23 sing N N 168 ILE CD1 HD11 sing N N 169 ILE CD1 HD12 sing N N 170 ILE CD1 HD13 sing N N 171 ILE OXT HXT sing N N 172 LEU N CA sing N N 173 LEU N H sing N N 174 LEU N H2 sing N N 175 LEU CA C sing N N 176 LEU CA CB sing N N 177 LEU CA HA sing N N 178 LEU C O doub N N 179 LEU C OXT sing N N 180 LEU CB CG sing N N 181 LEU CB HB2 sing N N 182 LEU CB HB3 sing N N 183 LEU CG CD1 sing N N 184 LEU CG CD2 sing N N 185 LEU CG HG sing N N 186 LEU CD1 HD11 sing N N 187 LEU CD1 HD12 sing N N 188 LEU CD1 HD13 sing N N 189 LEU CD2 HD21 sing N N 190 LEU CD2 HD22 sing N N 191 LEU CD2 HD23 sing N N 192 LEU OXT HXT sing N N 193 LYS N CA sing N N 194 LYS N H sing N N 195 LYS N H2 sing N N 196 LYS CA C sing N N 197 LYS CA CB sing N N 198 LYS CA HA sing N N 199 LYS C O doub N N 200 LYS C OXT sing N N 201 LYS CB CG sing N N 202 LYS CB HB2 sing N N 203 LYS CB HB3 sing N N 204 LYS CG CD sing N N 205 LYS CG HG2 sing N N 206 LYS CG HG3 sing N N 207 LYS CD CE sing N N 208 LYS CD HD2 sing N N 209 LYS CD HD3 sing N N 210 LYS CE NZ sing N N 211 LYS CE HE2 sing N N 212 LYS CE HE3 sing N N 213 LYS NZ HZ1 sing N N 214 LYS NZ HZ2 sing N N 215 LYS NZ HZ3 sing N N 216 LYS OXT HXT sing N N 217 PHE N CA sing N N 218 PHE N H sing N N 219 PHE N H2 sing N N 220 PHE CA C sing N N 221 PHE CA CB sing N N 222 PHE CA HA sing N N 223 PHE C O doub N N 224 PHE C OXT sing N N 225 PHE CB CG sing N N 226 PHE CB HB2 sing N N 227 PHE CB HB3 sing N N 228 PHE CG CD1 doub Y N 229 PHE CG CD2 sing Y N 230 PHE CD1 CE1 sing Y N 231 PHE CD1 HD1 sing N N 232 PHE CD2 CE2 doub Y N 233 PHE CD2 HD2 sing N N 234 PHE CE1 CZ doub Y N 235 PHE CE1 HE1 sing N N 236 PHE CE2 CZ sing Y N 237 PHE CE2 HE2 sing N N 238 PHE CZ HZ sing N N 239 PHE OXT HXT sing N N 240 PRO N CA sing N N 241 PRO N CD sing N N 242 PRO N H sing N N 243 PRO CA C sing N N 244 PRO CA CB sing N N 245 PRO CA HA sing N N 246 PRO C O doub N N 247 PRO C OXT sing N N 248 PRO CB CG sing N N 249 PRO CB HB2 sing N N 250 PRO CB HB3 sing N N 251 PRO CG CD sing N N 252 PRO CG HG2 sing N N 253 PRO CG HG3 sing N N 254 PRO CD HD2 sing N N 255 PRO CD HD3 sing N N 256 PRO OXT HXT sing N N 257 SER N CA sing N N 258 SER N H sing N N 259 SER N H2 sing N N 260 SER CA C sing N N 261 SER CA CB sing N N 262 SER CA HA sing N N 263 SER C O doub N N 264 SER C OXT sing N N 265 SER CB OG sing N N 266 SER CB HB2 sing N N 267 SER CB HB3 sing N N 268 SER OG HG sing N N 269 SER OXT HXT sing N N 270 THR N CA sing N N 271 THR N H sing N N 272 THR N H2 sing N N 273 THR CA C sing N N 274 THR CA CB sing N N 275 THR CA HA sing N N 276 THR C O doub N N 277 THR C OXT sing N N 278 THR CB OG1 sing N N 279 THR CB CG2 sing N N 280 THR CB HB sing N N 281 THR OG1 HG1 sing N N 282 THR CG2 HG21 sing N N 283 THR CG2 HG22 sing N N 284 THR CG2 HG23 sing N N 285 THR OXT HXT sing N N 286 TRP N CA sing N N 287 TRP N H sing N N 288 TRP N H2 sing N N 289 TRP CA C sing N N 290 TRP CA CB sing N N 291 TRP CA HA sing N N 292 TRP C O doub N N 293 TRP C OXT sing N N 294 TRP CB CG sing N N 295 TRP CB HB2 sing N N 296 TRP CB HB3 sing N N 297 TRP CG CD1 doub Y N 298 TRP CG CD2 sing Y N 299 TRP CD1 NE1 sing Y N 300 TRP CD1 HD1 sing N N 301 TRP CD2 CE2 doub Y N 302 TRP CD2 CE3 sing Y N 303 TRP NE1 CE2 sing Y N 304 TRP NE1 HE1 sing N N 305 TRP CE2 CZ2 sing Y N 306 TRP CE3 CZ3 doub Y N 307 TRP CE3 HE3 sing N N 308 TRP CZ2 CH2 doub Y N 309 TRP CZ2 HZ2 sing N N 310 TRP CZ3 CH2 sing Y N 311 TRP CZ3 HZ3 sing N N 312 TRP CH2 HH2 sing N N 313 TRP OXT HXT sing N N 314 TYR N CA sing N N 315 TYR N H sing N N 316 TYR N H2 sing N N 317 TYR CA C sing N N 318 TYR CA CB sing N N 319 TYR CA HA sing N N 320 TYR C O doub N N 321 TYR C OXT sing N N 322 TYR CB CG sing N N 323 TYR CB HB2 sing N N 324 TYR CB HB3 sing N N 325 TYR CG CD1 doub Y N 326 TYR CG CD2 sing Y N 327 TYR CD1 CE1 sing Y N 328 TYR CD1 HD1 sing N N 329 TYR CD2 CE2 doub Y N 330 TYR CD2 HD2 sing N N 331 TYR CE1 CZ doub Y N 332 TYR CE1 HE1 sing N N 333 TYR CE2 CZ sing Y N 334 TYR CE2 HE2 sing N N 335 TYR CZ OH sing N N 336 TYR OH HH sing N N 337 TYR OXT HXT sing N N 338 VAL N CA sing N N 339 VAL N H sing N N 340 VAL N H2 sing N N 341 VAL CA C sing N N 342 VAL CA CB sing N N 343 VAL CA HA sing N N 344 VAL C O doub N N 345 VAL C OXT sing N N 346 VAL CB CG1 sing N N 347 VAL CB CG2 sing N N 348 VAL CB HB sing N N 349 VAL CG1 HG11 sing N N 350 VAL CG1 HG12 sing N N 351 VAL CG1 HG13 sing N N 352 VAL CG2 HG21 sing N N 353 VAL CG2 HG22 sing N N 354 VAL CG2 HG23 sing N N 355 VAL OXT HXT sing N N 356 # _pdbx_entity_nonpoly.entity_id 2 _pdbx_entity_nonpoly.name water _pdbx_entity_nonpoly.comp_id HOH # _pdbx_initial_refinement_model.id 1 _pdbx_initial_refinement_model.entity_id_list ? _pdbx_initial_refinement_model.type 'experimental model' _pdbx_initial_refinement_model.source_name PDB _pdbx_initial_refinement_model.accession_code 2IMZ _pdbx_initial_refinement_model.details 'PDB entry 2IMZ' # If you find results from this site helpful for your research, please cite one of our papers:
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