data_4P27 # _entry.id 4P27 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 4P27 WWPDB D_1000200546 # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr . _pdbx_database_status.entry_id 4P27 _pdbx_database_status.recvd_initial_deposition_date 2014-03-02 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.status_code_cs . _pdbx_database_status.methods_development_category . _pdbx_database_status.pdb_format_compatible Y # _audit_author.name 'Asojo, O.A.' _audit_author.pdbx_ordinal 1 # _citation.id primary _citation.title ;Schistosoma mansoni venom allergen-like protein 4 (SmVAL4) is a novel lipid-binding SCP/TAPS protein that lacks the prototypical CAP motifs. ; _citation.journal_abbrev 'Acta Crystallogr.,Sect.D' _citation.journal_volume 70 _citation.page_first 2186 _citation.page_last 2196 _citation.year 2014 _citation.journal_id_ASTM ABCRE6 _citation.country US _citation.journal_id_ISSN 1399-0047 _citation.journal_id_CSD ? _citation.book_publisher ? _citation.pdbx_database_id_PubMed 25084337 _citation.pdbx_database_id_DOI 10.1107/S1399004714013315 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Kelleher, A.' 1 primary 'Darwiche, R.' 2 primary 'Rezende, W.C.' 3 primary 'Farias, L.P.' 4 primary 'Leite, L.C.' 5 primary 'Schneiter, R.' 6 primary 'Asojo, O.A.' 7 # _cell.entry_id 4P27 _cell.length_a 78.645 _cell.length_b 78.645 _cell.length_c 83.520 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 120.00 _cell.Z_PDB 6 _cell.pdbx_unique_axis ? # _symmetry.entry_id 4P27 _symmetry.space_group_name_H-M 'P 61' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 169 # 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 'Venom allergen-like (VAL) 4 protein' 18843.232 1 ? ? 'UNP residues 20-181' ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 1 ? ? ? ? 3 water nat water 18.015 66 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'Venom allergen-like protein 4' # _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 ;EFKLSEGQRAIYNFHKKVRKDVKNCRIPGQPPAKNLTKLKWNKLLANKAKQQAKRCKYDSNDPNDFIIGDFESIGQNLAD YPTIEGAMKDWLEEYKNYNFEKNQCNGDCKNYKQMVWNTTEEIGCGYEKCGKNYLIVCNYAPGDSEDRPYEAKPESKCNK SE ; _entity_poly.pdbx_seq_one_letter_code_can ;EFKLSEGQRAIYNFHKKVRKDVKNCRIPGQPPAKNLTKLKWNKLLANKAKQQAKRCKYDSNDPNDFIIGDFESIGQNLAD YPTIEGAMKDWLEEYKNYNFEKNQCNGDCKNYKQMVWNTTEEIGCGYEKCGKNYLIVCNYAPGDSEDRPYEAKPESKCNK SE ; _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 GLU n 1 2 PHE n 1 3 LYS n 1 4 LEU n 1 5 SER n 1 6 GLU n 1 7 GLY n 1 8 GLN n 1 9 ARG n 1 10 ALA n 1 11 ILE n 1 12 TYR n 1 13 ASN n 1 14 PHE n 1 15 HIS n 1 16 LYS n 1 17 LYS n 1 18 VAL n 1 19 ARG n 1 20 LYS n 1 21 ASP n 1 22 VAL n 1 23 LYS n 1 24 ASN n 1 25 CYS n 1 26 ARG n 1 27 ILE n 1 28 PRO n 1 29 GLY n 1 30 GLN n 1 31 PRO n 1 32 PRO n 1 33 ALA n 1 34 LYS n 1 35 ASN n 1 36 LEU n 1 37 THR n 1 38 LYS n 1 39 LEU n 1 40 LYS n 1 41 TRP n 1 42 ASN n 1 43 LYS n 1 44 LEU n 1 45 LEU n 1 46 ALA n 1 47 ASN n 1 48 LYS n 1 49 ALA n 1 50 LYS n 1 51 GLN n 1 52 GLN n 1 53 ALA n 1 54 LYS n 1 55 ARG n 1 56 CYS n 1 57 LYS n 1 58 TYR n 1 59 ASP n 1 60 SER n 1 61 ASN n 1 62 ASP n 1 63 PRO n 1 64 ASN n 1 65 ASP n 1 66 PHE n 1 67 ILE n 1 68 ILE n 1 69 GLY n 1 70 ASP n 1 71 PHE n 1 72 GLU n 1 73 SER n 1 74 ILE n 1 75 GLY n 1 76 GLN n 1 77 ASN n 1 78 LEU n 1 79 ALA n 1 80 ASP n 1 81 TYR n 1 82 PRO n 1 83 THR n 1 84 ILE n 1 85 GLU n 1 86 GLY n 1 87 ALA n 1 88 MET n 1 89 LYS n 1 90 ASP n 1 91 TRP n 1 92 LEU n 1 93 GLU n 1 94 GLU n 1 95 TYR n 1 96 LYS n 1 97 ASN n 1 98 TYR n 1 99 ASN n 1 100 PHE n 1 101 GLU n 1 102 LYS n 1 103 ASN n 1 104 GLN n 1 105 CYS n 1 106 ASN n 1 107 GLY n 1 108 ASP n 1 109 CYS n 1 110 LYS n 1 111 ASN n 1 112 TYR n 1 113 LYS n 1 114 GLN n 1 115 MET n 1 116 VAL n 1 117 TRP n 1 118 ASN n 1 119 THR n 1 120 THR n 1 121 GLU n 1 122 GLU n 1 123 ILE n 1 124 GLY n 1 125 CYS n 1 126 GLY n 1 127 TYR n 1 128 GLU n 1 129 LYS n 1 130 CYS n 1 131 GLY n 1 132 LYS n 1 133 ASN n 1 134 TYR n 1 135 LEU n 1 136 ILE n 1 137 VAL n 1 138 CYS n 1 139 ASN n 1 140 TYR n 1 141 ALA n 1 142 PRO n 1 143 GLY n 1 144 ASP n 1 145 SER n 1 146 GLU n 1 147 ASP n 1 148 ARG n 1 149 PRO n 1 150 TYR n 1 151 GLU n 1 152 ALA n 1 153 LYS n 1 154 PRO n 1 155 GLU n 1 156 SER n 1 157 LYS n 1 158 CYS n 1 159 ASN n 1 160 LYS n 1 161 SER n 1 162 GLU n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type 'Biological sequence' _entity_src_gen.pdbx_beg_seq_num 1 _entity_src_gen.pdbx_end_seq_num 162 _entity_src_gen.gene_src_common_name 'Blood fluke' _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene Smp_002070 _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 'Schistosoma mansoni' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 6183 _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 Pichia _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 4919 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain ? _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line ? _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type ? _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name ? _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code Q1X6L4_SCHMA _struct_ref.pdbx_db_accession Q1X6L4 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;ETKLSEGQRAIYNFHKKVRKDVKNCRIPGQPPAKNLTKLKWNKLLANKAKQQAKRCKYDSNDPNDFIIGDFESIGQNLAD YPTIEGAMKDWLEEYKNYNFEKNQCNGDCKNYKQMVWNTTEEIGCGYEKCGKNYLIVCNYAPGDSEDRPYEAKPESKCNK SE ; _struct_ref.pdbx_align_begin 20 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 4P27 _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 1 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 162 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession Q1X6L4 _struct_ref_seq.db_align_beg 20 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 181 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 1 _struct_ref_seq.pdbx_auth_seq_align_end 162 # _struct_ref_seq_dif.align_id 1 _struct_ref_seq_dif.pdbx_pdb_id_code 4P27 _struct_ref_seq_dif.mon_id PHE _struct_ref_seq_dif.pdbx_pdb_strand_id A _struct_ref_seq_dif.seq_num 2 _struct_ref_seq_dif.pdbx_pdb_ins_code ? _struct_ref_seq_dif.pdbx_seq_db_name UNP _struct_ref_seq_dif.pdbx_seq_db_accession_code Q1X6L4 _struct_ref_seq_dif.db_mon_id THR _struct_ref_seq_dif.pdbx_seq_db_seq_num 21 _struct_ref_seq_dif.details conflict _struct_ref_seq_dif.pdbx_auth_seq_num 2 _struct_ref_seq_dif.pdbx_ordinal 1 # 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 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 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.absorpt_coefficient_mu . _exptl.absorpt_correction_T_max . _exptl.absorpt_correction_T_min . _exptl.absorpt_correction_type . _exptl.absorpt_process_details . _exptl.entry_id 4P27 _exptl.crystals_number 1 _exptl.details . _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details . # _exptl_crystal.colour . _exptl_crystal.density_diffrn . _exptl_crystal.density_Matthews 3.96 _exptl_crystal.density_method . _exptl_crystal.density_percent_sol 68.92 _exptl_crystal.description . _exptl_crystal.F_000 . _exptl_crystal.id 1 _exptl_crystal.preparation . _exptl_crystal.size_max . _exptl_crystal.size_mid . _exptl_crystal.size_min . _exptl_crystal.size_rad . _exptl_crystal.colour_lustre . _exptl_crystal.colour_modifier . _exptl_crystal.colour_primary . _exptl_crystal.density_meas . _exptl_crystal.density_meas_esd . _exptl_crystal.density_meas_gt . _exptl_crystal.density_meas_lt . _exptl_crystal.density_meas_temp . _exptl_crystal.density_meas_temp_esd . _exptl_crystal.density_meas_temp_gt . _exptl_crystal.density_meas_temp_lt . _exptl_crystal.pdbx_crystal_image_url . _exptl_crystal.pdbx_crystal_image_format . _exptl_crystal.pdbx_mosaicity . _exptl_crystal.pdbx_mosaicity_esd . # _exptl_crystal_grow.apparatus . _exptl_crystal_grow.atmosphere . _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details . _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.method_ref . _exptl_crystal_grow.pH . _exptl_crystal_grow.pressure . _exptl_crystal_grow.pressure_esd . _exptl_crystal_grow.seeding . _exptl_crystal_grow.seeding_ref . _exptl_crystal_grow.temp 298 _exptl_crystal_grow.temp_details . _exptl_crystal_grow.temp_esd . _exptl_crystal_grow.time . _exptl_crystal_grow.pdbx_details ;0.085 M sodium acetate trihydrate at pH 4.6, 25% (w/v) PEG 2000, 0.17 M ammonium sulfate and 15% (v/v) glycerol, 8 mg/ml SmVAL4 in Sodium Citrate at pH 5.0 ; _exptl_crystal_grow.pdbx_pH_range '4.6 - 5.0' # _diffrn.ambient_environment . _diffrn.ambient_temp 100 _diffrn.ambient_temp_details . _diffrn.ambient_temp_esd . _diffrn.crystal_id 1 _diffrn.crystal_support . _diffrn.crystal_treatment . _diffrn.details . _diffrn.id 1 _diffrn.ambient_pressure . _diffrn.ambient_pressure_esd . _diffrn.ambient_pressure_gt . _diffrn.ambient_pressure_lt . _diffrn.ambient_temp_gt . _diffrn.ambient_temp_lt . # _diffrn_detector.details . _diffrn_detector.detector 'IMAGE PLATE' _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'RIGAKU RAXIS HTC' _diffrn_detector.area_resol_mean . _diffrn_detector.dtime . _diffrn_detector.pdbx_frames_total . _diffrn_detector.pdbx_collection_time_total . _diffrn_detector.pdbx_collection_date 2013-12-19 # _diffrn_radiation.collimation . _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge . _diffrn_radiation.inhomogeneity . _diffrn_radiation.monochromator . _diffrn_radiation.polarisn_norm . _diffrn_radiation.polarisn_ratio . _diffrn_radiation.probe . _diffrn_radiation.type . _diffrn_radiation.xray_symbol . _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l . _diffrn_radiation.pdbx_wavelength_list . _diffrn_radiation.pdbx_wavelength 1.518 _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_analyzer . _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.518 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.current . _diffrn_source.details . _diffrn_source.diffrn_id 1 _diffrn_source.power . _diffrn_source.size . _diffrn_source.source 'ROTATING ANODE' _diffrn_source.target . _diffrn_source.type 'RIGAKU FR-E SUPERBRIGHT' _diffrn_source.voltage . _diffrn_source.take-off_angle . _diffrn_source.pdbx_wavelength_list . _diffrn_source.pdbx_wavelength 1.518 _diffrn_source.pdbx_synchrotron_beamline . _diffrn_source.pdbx_synchrotron_site . # _reflns.B_iso_Wilson_estimate . _reflns.entry_id 4P27 _reflns.data_reduction_details . _reflns.data_reduction_method . _reflns.d_resolution_high 2.15 _reflns.d_resolution_low 34.05 _reflns.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.number_all . _reflns.number_obs 15770 _reflns.observed_criterion . _reflns.observed_criterion_F_max . _reflns.observed_criterion_F_min . _reflns.observed_criterion_I_max . _reflns.observed_criterion_I_min . _reflns.observed_criterion_sigma_F . _reflns.observed_criterion_sigma_I . _reflns.percent_possible_obs 99.7 _reflns.R_free_details . _reflns.Rmerge_F_all . _reflns.Rmerge_F_obs . _reflns.Friedel_coverage . _reflns.number_gt . _reflns.threshold_expression . _reflns.pdbx_redundancy 21.2 _reflns.pdbx_Rmerge_I_obs . _reflns.pdbx_Rmerge_I_all . _reflns.pdbx_Rsym_value 0.071 _reflns.pdbx_netI_over_av_sigmaI . _reflns.pdbx_netI_over_sigmaI 5.1 _reflns.pdbx_res_netI_over_av_sigmaI_2 . _reflns.pdbx_res_netI_over_sigmaI_2 . _reflns.pdbx_chi_squared . _reflns.pdbx_scaling_rejects . _reflns.pdbx_d_res_high_opt . _reflns.pdbx_d_res_low_opt . _reflns.pdbx_d_res_opt_method . _reflns.phase_calculation_details . _reflns.pdbx_Rrim_I_all . _reflns.pdbx_Rpim_I_all . _reflns.pdbx_d_opt . _reflns.pdbx_number_measured_all . _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 # _reflns_shell.d_res_high 2.15 _reflns_shell.d_res_low 2.23 _reflns_shell.meanI_over_sigI_all . _reflns_shell.meanI_over_sigI_obs 1.0 _reflns_shell.number_measured_all . _reflns_shell.number_measured_obs . _reflns_shell.number_possible . _reflns_shell.number_unique_all . _reflns_shell.number_unique_obs . _reflns_shell.percent_possible_all 99.3 _reflns_shell.percent_possible_obs . _reflns_shell.Rmerge_F_all . _reflns_shell.Rmerge_F_obs . _reflns_shell.Rmerge_I_all . _reflns_shell.Rmerge_I_obs 0.76 _reflns_shell.meanI_over_sigI_gt . _reflns_shell.meanI_over_uI_all . _reflns_shell.meanI_over_uI_gt . _reflns_shell.number_measured_gt . _reflns_shell.number_unique_gt . _reflns_shell.percent_possible_gt . _reflns_shell.Rmerge_F_gt . _reflns_shell.Rmerge_I_gt . _reflns_shell.pdbx_redundancy 21.2 _reflns_shell.pdbx_Rsym_value 0.693 _reflns_shell.pdbx_chi_squared . _reflns_shell.pdbx_netI_over_sigmaI_all . _reflns_shell.pdbx_netI_over_sigmaI_obs . _reflns_shell.pdbx_Rrim_I_all . _reflns_shell.pdbx_Rpim_I_all . _reflns_shell.pdbx_rejects . _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 4P27 _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 14947 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 28.63 _refine.ls_d_res_high 2.16 _refine.ls_percent_reflns_obs 99.76 _refine.ls_R_factor_obs 0.18188 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.18039 _refine.ls_R_factor_R_free 0.20877 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.1 _refine.ls_number_reflns_R_free 803 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.958 _refine.correlation_coeff_Fo_to_Fc_free 0.945 _refine.B_iso_mean 39.084 _refine.aniso_B[1][1] 0.03 _refine.aniso_B[2][2] 0.03 _refine.aniso_B[3][3] -0.05 _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 MASK _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details ? _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.032 _refine.pdbx_overall_ESU_R_Free 0.029 _refine.overall_SU_ML 0.089 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 3.382 _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id 1 _refine_hist.pdbx_number_atoms_protein 1258 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 14 _refine_hist.number_atoms_solvent 66 _refine_hist.number_atoms_total 1338 _refine_hist.d_res_high 2.16 _refine_hist.d_res_low 28.63 # 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 r_bond_refined_d 0.023 0.020 ? 1304 'X-RAY DIFFRACTION' ? r_bond_other_d ? ? ? ? 'X-RAY DIFFRACTION' ? r_angle_refined_deg 2.253 1.966 ? 1756 'X-RAY DIFFRACTION' ? r_angle_other_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_chiral_restr 0.159 0.200 ? 173 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.014 0.021 ? 1002 'X-RAY DIFFRACTION' ? r_gen_planes_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_it 4.107 3.534 ? 619 'X-RAY DIFFRACTION' ? r_mcbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcangle_it 5.490 5.264 ? 772 'X-RAY DIFFRACTION' ? r_mcangle_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_scbond_it 6.558 4.044 ? 685 'X-RAY DIFFRACTION' ? r_scbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? r_scangle_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_long_range_B_refined 9.583 36.142 ? 1726 'X-RAY DIFFRACTION' ? r_long_range_B_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 2.160 _refine_ls_shell.d_res_low 2.216 _refine_ls_shell.number_reflns_R_work 1088 _refine_ls_shell.R_factor_R_work 0.224 _refine_ls_shell.percent_reflns_obs 99.30 _refine_ls_shell.R_factor_R_free 0.280 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 54 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.R_factor_obs ? _refine_ls_shell.number_reflns_obs ? # _struct.entry_id 4P27 _struct.title 'Structure of Schistosoma mansoni venom allergen-like protein 4 (SmVAL4)' _struct.pdbx_descriptor ;EFKLSEGQRAIYNFHKKVRKDVKNCRIPGQPPAKNLTKLKWNKLLANKAKQQAKRCKYDS NDPNDFIIGDFESIGQNLADYPTIEGAMKDWLEEYKNYNFEKNQCNGDCKNYKQMVWNTT EEIGCGYEKCGKNYLIVCNYAPGDSEDRPYEAKPESKCNKSE ; _struct.pdbx_model_details . _struct.pdbx_formula_weight . _struct.pdbx_formula_weight_method . _struct.pdbx_model_type_details . _struct.pdbx_CASP_flag . # _struct_keywords.entry_id 4P27 _struct_keywords.text 'Pathogenesis Related Protein, SCP/TAPS, ALLERGEN' _struct_keywords.pdbx_keywords ALLERGEN # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? # 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 AA1 SER A 5 ? LYS A 23 ? SER A 5 LYS A 23 1 ? 19 HELX_P HELX_P2 AA2 ASN A 42 ? ARG A 55 ? ASN A 42 ARG A 55 1 ? 14 HELX_P HELX_P3 AA3 ASP A 62 ? ILE A 67 ? ASP A 62 ILE A 67 5 ? 6 HELX_P HELX_P4 AA4 THR A 83 ? GLU A 94 ? THR A 83 GLU A 94 1 ? 12 HELX_P HELX_P5 AA5 CYS A 109 ? VAL A 116 ? CYS A 109 VAL A 116 1 ? 8 HELX_P HELX_P6 AA6 PRO A 154 ? CYS A 158 ? PRO A 154 CYS A 158 5 ? 5 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 25 SG ? ? ? 1_555 A CYS 158 SG ? ? A CYS 25 A CYS 158 1_555 ? ? ? ? ? ? ? 2.029 ? disulf2 disulf ? ? A CYS 56 SG ? ? ? 1_555 A CYS 130 SG ? ? A CYS 56 A CYS 130 1_555 ? ? ? ? ? ? ? 1.981 ? disulf3 disulf ? ? A CYS 105 SG ? ? ? 1_555 A CYS 109 SG ? ? A CYS 105 A CYS 109 1_555 ? ? ? ? ? ? ? 2.124 ? disulf4 disulf ? ? A CYS 125 SG ? ? ? 1_555 A CYS 138 SG ? ? A CYS 125 A CYS 138 1_555 ? ? ? ? ? ? ? 2.150 ? covale1 covale one ? A ASN 118 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 118 A NAG 201 1_555 ? ? ? ? ? ? ? 1.370 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # _struct_mon_prot_cis.pdbx_id 1 _struct_mon_prot_cis.label_comp_id ALA _struct_mon_prot_cis.label_seq_id 141 _struct_mon_prot_cis.label_asym_id A _struct_mon_prot_cis.label_alt_id . _struct_mon_prot_cis.pdbx_PDB_ins_code ? _struct_mon_prot_cis.auth_comp_id ALA _struct_mon_prot_cis.auth_seq_id 141 _struct_mon_prot_cis.auth_asym_id A _struct_mon_prot_cis.pdbx_label_comp_id_2 PRO _struct_mon_prot_cis.pdbx_label_seq_id_2 142 _struct_mon_prot_cis.pdbx_label_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_ins_code_2 ? _struct_mon_prot_cis.pdbx_auth_comp_id_2 PRO _struct_mon_prot_cis.pdbx_auth_seq_id_2 142 _struct_mon_prot_cis.pdbx_auth_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_model_num 1 _struct_mon_prot_cis.pdbx_omega_angle -6.68 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 4 ? AA2 ? 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 AA1 1 2 ? parallel AA1 2 3 ? anti-parallel AA1 3 4 ? anti-parallel AA2 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 AA1 1 LYS A 40 ? TRP A 41 ? LYS A 40 TRP A 41 AA1 2 GLU A 122 ? CYS A 130 ? GLU A 122 CYS A 130 AA1 3 ASN A 133 ? ALA A 141 ? ASN A 133 ALA A 141 AA1 4 GLY A 75 ? TYR A 81 ? GLY A 75 TYR A 81 AA2 1 TYR A 98 ? ASN A 99 ? TYR A 98 ASN A 99 AA2 2 GLN A 104 ? CYS A 105 ? GLN A 104 CYS A 105 # 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 AA1 1 2 N LYS A 40 ? N LYS A 40 O ILE A 123 ? O ILE A 123 AA1 2 3 N CYS A 130 ? N CYS A 130 O ASN A 133 ? O ASN A 133 AA1 3 4 O TYR A 134 ? O TYR A 134 N TYR A 81 ? N TYR A 81 AA2 1 2 N ASN A 99 ? N ASN A 99 O GLN A 104 ? O GLN A 104 # _struct_site.id AC1 _struct_site.pdbx_evidence_code Software _struct_site.pdbx_auth_asym_id A _struct_site.pdbx_auth_comp_id NAG _struct_site.pdbx_auth_seq_id 201 _struct_site.pdbx_auth_ins_code ? _struct_site.pdbx_num_residues 3 _struct_site.details 'binding site for Mono-Saccharide NAG A 201 bound to ASN A 118' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 3 ASN A 35 ? ASN A 35 . ? 1_555 ? 2 AC1 3 ASN A 118 ? ASN A 118 . ? 1_555 ? 3 AC1 3 GLU A 151 ? GLU A 151 . ? 1_555 ? # _atom_sites.entry_id 4P27 _atom_sites.fract_transf_matrix[1][1] 0.012715 _atom_sites.fract_transf_matrix[1][2] 0.007341 _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] 0.014682 _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] 0.011973 _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 . LEU A 1 4 ? 33.066 14.222 9.553 1.00 48.68 ? 4 LEU A N 1 ATOM 2 C CA . LEU A 1 4 ? 33.336 15.638 9.884 1.00 47.44 ? 4 LEU A CA 1 ATOM 3 C C . LEU A 1 4 ? 33.802 15.805 11.297 1.00 46.28 ? 4 LEU A C 1 ATOM 4 O O . LEU A 1 4 ? 33.176 15.296 12.232 1.00 44.21 ? 4 LEU A O 1 ATOM 5 C CB . LEU A 1 4 ? 32.094 16.551 9.706 1.00 40.49 ? 4 LEU A CB 1 ATOM 6 C CG . LEU A 1 4 ? 31.394 16.629 8.363 1.00 40.72 ? 4 LEU A CG 1 ATOM 7 C CD1 . LEU A 1 4 ? 30.511 17.870 8.312 1.00 39.17 ? 4 LEU A CD1 1 ATOM 8 C CD2 . LEU A 1 4 ? 32.425 16.613 7.260 1.00 49.41 ? 4 LEU A CD2 1 ATOM 9 N N . SER A 1 5 ? 34.824 16.627 11.459 1.00 40.42 ? 5 SER A N 1 ATOM 10 C CA . SER A 1 5 ? 35.171 17.140 12.782 1.00 37.25 ? 5 SER A CA 1 ATOM 11 C C . SER A 1 5 ? 34.062 17.868 13.489 1.00 43.10 ? 5 SER A C 1 ATOM 12 O O . SER A 1 5 ? 33.064 18.296 12.896 1.00 43.13 ? 5 SER A O 1 ATOM 13 C CB . SER A 1 5 ? 36.407 18.041 12.688 1.00 40.94 ? 5 SER A CB 1 ATOM 14 O OG . SER A 1 5 ? 36.041 19.360 12.318 1.00 43.48 ? 5 SER A OG 1 ATOM 15 N N . GLU A 1 6 ? 34.223 17.969 14.802 1.00 40.64 ? 6 GLU A N 1 ATOM 16 C CA . GLU A 1 6 ? 33.470 18.874 15.621 1.00 38.70 ? 6 GLU A CA 1 ATOM 17 C C . GLU A 1 6 ? 33.133 20.289 15.000 1.00 39.19 ? 6 GLU A C 1 ATOM 18 O O . GLU A 1 6 ? 31.972 20.704 14.944 1.00 38.93 ? 6 GLU A O 1 ATOM 19 C CB . GLU A 1 6 ? 34.378 19.123 16.873 1.00 48.12 ? 6 GLU A CB 1 ATOM 20 C CG . GLU A 1 6 ? 34.841 17.806 17.571 1.00 53.09 ? 6 GLU A CG 1 ATOM 21 C CD . GLU A 1 6 ? 33.655 17.052 18.169 1.00 51.90 ? 6 GLU A CD 1 ATOM 22 O OE1 . GLU A 1 6 ? 32.481 17.562 18.038 1.00 59.80 ? 6 GLU A OE1 1 ATOM 23 O OE2 . GLU A 1 6 ? 33.883 15.979 18.741 1.00 50.67 ? 6 GLU A OE2 1 ATOM 24 N N . GLY A 1 7 ? 34.170 21.043 14.641 1.00 37.34 ? 7 GLY A N 1 ATOM 25 C CA . GLY A 1 7 ? 33.992 22.400 14.068 1.00 39.53 ? 7 GLY A CA 1 ATOM 26 C C . GLY A 1 7 ? 33.271 22.305 12.707 1.00 28.20 ? 7 GLY A C 1 ATOM 27 O O . GLY A 1 7 ? 32.372 23.069 12.472 1.00 33.97 ? 7 GLY A O 1 ATOM 28 N N . GLN A 1 8 ? 33.648 21.336 11.884 1.00 28.46 ? 8 GLN A N 1 ATOM 29 C CA . GLN A 1 8 ? 33.152 21.241 10.547 1.00 31.78 ? 8 GLN A CA 1 ATOM 30 C C . GLN A 1 8 ? 31.665 21.031 10.641 1.00 34.91 ? 8 GLN A C 1 ATOM 31 O O . GLN A 1 8 ? 30.885 21.693 9.934 1.00 31.28 ? 8 GLN A O 1 ATOM 32 C CB . GLN A 1 8 ? 33.866 20.129 9.820 1.00 32.29 ? 8 GLN A CB 1 ATOM 33 C CG . GLN A 1 8 ? 35.307 20.517 9.360 1.00 31.60 ? 8 GLN A CG 1 ATOM 34 C CD . GLN A 1 8 ? 36.011 19.361 8.658 1.00 34.34 ? 8 GLN A CD 1 ATOM 35 O OE1 . GLN A 1 8 ? 35.700 18.179 8.905 1.00 38.98 ? 8 GLN A OE1 1 ATOM 36 N NE2 . GLN A 1 8 ? 36.903 19.685 7.723 1.00 35.62 ? 8 GLN A NE2 1 ATOM 37 N N . ARG A 1 9 ? 31.243 20.156 11.564 1.00 31.02 ? 9 ARG A N 1 ATOM 38 C CA . ARG A 1 9 ? 29.849 19.831 11.666 1.00 30.90 ? 9 ARG A CA 1 ATOM 39 C C . ARG A 1 9 ? 29.038 21.050 12.120 1.00 31.10 ? 9 ARG A C 1 ATOM 40 O O . ARG A 1 9 ? 28.006 21.373 11.565 1.00 33.84 ? 9 ARG A O 1 ATOM 41 C CB . ARG A 1 9 ? 29.581 18.590 12.566 1.00 37.68 ? 9 ARG A CB 1 ATOM 42 C CG . ARG A 1 9 ? 28.087 18.373 12.896 1.00 36.20 ? 9 ARG A CG 1 ATOM 43 C CD . ARG A 1 9 ? 27.256 17.851 11.715 1.00 43.83 ? 9 ARG A CD 1 ATOM 44 N NE . ARG A 1 9 ? 27.916 16.683 11.104 1.00 55.87 ? 9 ARG A NE 1 ATOM 45 C CZ . ARG A 1 9 ? 27.589 16.070 9.956 1.00 53.54 ? 9 ARG A CZ 1 ATOM 46 N NH1 . ARG A 1 9 ? 26.582 16.497 9.212 1.00 49.97 ? 9 ARG A NH1 1 ATOM 47 N NH2 . ARG A 1 9 ? 28.323 15.032 9.540 1.00 50.79 ? 9 ARG A NH2 1 ATOM 48 N N . ALA A 1 10 ? 29.544 21.758 13.118 1.00 29.98 ? 10 ALA A N 1 ATOM 49 C CA . ALA A 1 10 ? 28.928 22.959 13.548 1.00 32.78 ? 10 ALA A CA 1 ATOM 50 C C . ALA A 1 10 ? 28.803 24.014 12.373 1.00 28.88 ? 10 ALA A C 1 ATOM 51 O O . ALA A 1 10 ? 27.779 24.716 12.268 1.00 29.67 ? 10 ALA A O 1 ATOM 52 C CB . ALA A 1 10 ? 29.779 23.521 14.707 1.00 34.80 ? 10 ALA A CB 1 ATOM 53 N N . ILE A 1 11 ? 29.860 24.160 11.553 1.00 30.53 ? 11 ILE A N 1 ATOM 54 C CA . ILE A 1 11 ? 29.846 25.208 10.519 1.00 26.12 ? 11 ILE A CA 1 ATOM 55 C C . ILE A 1 11 ? 28.767 24.750 9.484 1.00 26.53 ? 11 ILE A C 1 ATOM 56 O O . ILE A 1 11 ? 27.970 25.506 9.087 1.00 26.12 ? 11 ILE A O 1 ATOM 57 C CB . ILE A 1 11 ? 31.208 25.313 9.872 1.00 26.20 ? 11 ILE A CB 1 ATOM 58 C CG1 . ILE A 1 11 ? 32.182 26.015 10.847 1.00 23.34 ? 11 ILE A CG1 1 ATOM 59 C CG2 . ILE A 1 11 ? 31.108 26.088 8.512 1.00 23.82 ? 11 ILE A CG2 1 ATOM 60 C CD1 . ILE A 1 11 ? 33.642 25.758 10.478 1.00 27.27 ? 11 ILE A CD1 1 ATOM 61 N N . TYR A 1 12 ? 28.752 23.477 9.118 1.00 26.66 ? 12 TYR A N 1 ATOM 62 C CA . TYR A 1 12 ? 27.764 22.897 8.179 1.00 29.09 ? 12 TYR A CA 1 ATOM 63 C C . TYR A 1 12 ? 26.338 23.092 8.641 1.00 33.89 ? 12 TYR A C 1 ATOM 64 O O . TYR A 1 12 ? 25.469 23.633 7.882 1.00 31.47 ? 12 TYR A O 1 ATOM 65 C CB . TYR A 1 12 ? 28.081 21.389 7.973 1.00 31.06 ? 12 TYR A CB 1 ATOM 66 C CG . TYR A 1 12 ? 27.311 20.707 6.860 1.00 33.21 ? 12 TYR A CG 1 ATOM 67 C CD1 . TYR A 1 12 ? 26.900 21.432 5.687 1.00 29.14 ? 12 TYR A CD1 1 ATOM 68 C CD2 . TYR A 1 12 ? 26.992 19.355 6.948 1.00 34.28 ? 12 TYR A CD2 1 ATOM 69 C CE1 . TYR A 1 12 ? 26.232 20.793 4.658 1.00 33.07 ? 12 TYR A CE1 1 ATOM 70 C CE2 . TYR A 1 12 ? 26.257 18.691 5.916 1.00 32.16 ? 12 TYR A CE2 1 ATOM 71 C CZ . TYR A 1 12 ? 25.880 19.421 4.788 1.00 38.34 ? 12 TYR A CZ 1 ATOM 72 O OH . TYR A 1 12 ? 25.178 18.807 3.767 1.00 35.61 ? 12 TYR A OH 1 ATOM 73 N N . ASN A 1 13 ? 26.080 22.777 9.918 1.00 30.70 ? 13 ASN A N 1 ATOM 74 C CA . ASN A 1 13 ? 24.692 22.953 10.413 1.00 30.10 ? 13 ASN A CA 1 ATOM 75 C C . ASN A 1 13 ? 24.281 24.420 10.518 1.00 27.90 ? 13 ASN A C 1 ATOM 76 O O . ASN A 1 13 ? 23.107 24.766 10.412 1.00 28.79 ? 13 ASN A O 1 ATOM 77 C CB . ASN A 1 13 ? 24.530 22.343 11.827 1.00 30.45 ? 13 ASN A CB 1 ATOM 78 C CG . ASN A 1 13 ? 24.586 20.798 11.849 1.00 33.46 ? 13 ASN A CG 1 ATOM 79 O OD1 . ASN A 1 13 ? 24.955 20.233 12.881 1.00 37.27 ? 13 ASN A OD1 1 ATOM 80 N ND2 . ASN A 1 13 ? 24.317 20.136 10.739 1.00 31.17 ? 13 ASN A ND2 1 ATOM 81 N N . PHE A 1 14 ? 25.208 25.274 10.896 1.00 25.45 ? 14 PHE A N 1 ATOM 82 C CA . PHE A 1 14 ? 24.887 26.698 10.991 1.00 26.10 ? 14 PHE A CA 1 ATOM 83 C C . PHE A 1 14 ? 24.469 27.191 9.562 1.00 23.85 ? 14 PHE A C 1 ATOM 84 O O . PHE A 1 14 ? 23.497 27.909 9.421 1.00 26.67 ? 14 PHE A O 1 ATOM 85 C CB . PHE A 1 14 ? 26.138 27.473 11.478 1.00 25.11 ? 14 PHE A CB 1 ATOM 86 C CG . PHE A 1 14 ? 25.834 28.922 11.783 1.00 29.18 ? 14 PHE A CG 1 ATOM 87 C CD1 . PHE A 1 14 ? 25.826 29.888 10.755 1.00 31.17 ? 14 PHE A CD1 1 ATOM 88 C CD2 . PHE A 1 14 ? 25.568 29.342 13.076 1.00 31.70 ? 14 PHE A CD2 1 ATOM 89 C CE1 . PHE A 1 14 ? 25.500 31.192 11.025 1.00 29.28 ? 14 PHE A CE1 1 ATOM 90 C CE2 . PHE A 1 14 ? 25.280 30.688 13.373 1.00 32.16 ? 14 PHE A CE2 1 ATOM 91 C CZ . PHE A 1 14 ? 25.236 31.609 12.348 1.00 36.10 ? 14 PHE A CZ 1 ATOM 92 N N . HIS A 1 15 ? 25.197 26.760 8.524 1.00 24.61 ? 15 HIS A N 1 ATOM 93 C CA . HIS A 1 15 ? 24.797 27.150 7.147 1.00 26.80 ? 15 HIS A CA 1 ATOM 94 C C . HIS A 1 15 ? 23.438 26.573 6.728 1.00 28.67 ? 15 HIS A C 1 ATOM 95 O O . HIS A 1 15 ? 22.588 27.293 6.206 1.00 29.98 ? 15 HIS A O 1 ATOM 96 C CB . HIS A 1 15 ? 25.841 26.671 6.125 1.00 23.42 ? 15 HIS A CB 1 ATOM 97 C CG . HIS A 1 15 ? 27.038 27.541 6.051 1.00 24.64 ? 15 HIS A CG 1 ATOM 98 N ND1 . HIS A 1 15 ? 28.081 27.433 6.947 1.00 28.03 ? 15 HIS A ND1 1 ATOM 99 C CD2 . HIS A 1 15 ? 27.430 28.460 5.120 1.00 26.68 ? 15 HIS A CD2 1 ATOM 100 C CE1 . HIS A 1 15 ? 29.038 28.296 6.614 1.00 29.18 ? 15 HIS A CE1 1 ATOM 101 N NE2 . HIS A 1 15 ? 28.689 28.904 5.490 1.00 23.78 ? 15 HIS A NE2 1 ATOM 102 N N . LYS A 1 16 ? 23.173 25.303 7.050 1.00 29.51 ? 16 LYS A N 1 ATOM 103 C CA . LYS A 1 16 ? 21.834 24.743 6.841 1.00 29.89 ? 16 LYS A CA 1 ATOM 104 C C . LYS A 1 16 ? 20.757 25.535 7.530 1.00 28.10 ? 16 LYS A C 1 ATOM 105 O O . LYS A 1 16 ? 19.735 25.809 6.944 1.00 33.03 ? 16 LYS A O 1 ATOM 106 C CB . LYS A 1 16 ? 21.778 23.243 7.242 1.00 29.77 ? 16 LYS A CB 1 ATOM 107 C CG . LYS A 1 16 ? 22.631 22.471 6.295 1.00 36.19 ? 16 LYS A CG 1 ATOM 108 C CD . LYS A 1 16 ? 22.277 20.990 6.226 1.00 41.02 ? 16 LYS A CD 1 ATOM 109 C CE . LYS A 1 16 ? 22.975 20.246 7.338 1.00 49.94 ? 16 LYS A CE 1 ATOM 110 N NZ . LYS A 1 16 ? 22.724 18.787 7.075 1.00 57.64 ? 16 LYS A NZ 1 ATOM 111 N N . LYS A 1 17 ? 20.994 25.924 8.777 1.00 29.26 ? 17 LYS A N 1 ATOM 112 C CA . LYS A 1 17 ? 20.006 26.641 9.539 1.00 33.63 ? 17 LYS A CA 1 ATOM 113 C C . LYS A 1 17 ? 19.750 28.069 8.957 1.00 33.57 ? 17 LYS A C 1 ATOM 114 O O . LYS A 1 17 ? 18.616 28.499 8.910 1.00 31.83 ? 17 LYS A O 1 ATOM 115 C CB . LYS A 1 17 ? 20.501 26.877 10.975 1.00 36.40 ? 17 LYS A CB 1 ATOM 116 C CG . LYS A 1 17 ? 19.324 27.241 11.882 1.00 43.73 ? 17 LYS A CG 1 ATOM 117 C CD . LYS A 1 17 ? 19.663 28.374 12.795 1.00 54.25 ? 17 LYS A CD 1 ATOM 118 C CE . LYS A 1 17 ? 18.422 28.837 13.555 1.00 68.49 ? 17 LYS A CE 1 ATOM 119 N NZ . LYS A 1 17 ? 18.672 30.259 13.944 1.00 50.46 ? 17 LYS A NZ 1 ATOM 120 N N . VAL A 1 18 ? 20.823 28.831 8.652 1.00 31.91 ? 18 VAL A N 1 ATOM 121 C CA . VAL A 1 18 ? 20.665 30.154 7.974 1.00 30.40 ? 18 VAL A CA 1 ATOM 122 C C . VAL A 1 18 ? 19.768 30.056 6.700 1.00 24.63 ? 18 VAL A C 1 ATOM 123 O O . VAL A 1 18 ? 18.854 30.823 6.481 1.00 26.68 ? 18 VAL A O 1 ATOM 124 C CB . VAL A 1 18 ? 22.029 30.711 7.605 1.00 34.71 ? 18 VAL A CB 1 ATOM 125 C CG1 . VAL A 1 18 ? 21.973 31.940 6.668 1.00 33.18 ? 18 VAL A CG1 1 ATOM 126 C CG2 . VAL A 1 18 ? 22.714 31.084 8.897 1.00 31.86 ? 18 VAL A CG2 1 ATOM 127 N N . ARG A 1 19 ? 20.001 29.058 5.905 1.00 25.52 ? 19 ARG A N 1 ATOM 128 C CA . ARG A 1 19 ? 19.312 28.916 4.642 1.00 26.96 ? 19 ARG A CA 1 ATOM 129 C C . ARG A 1 19 ? 17.854 28.509 4.890 1.00 34.66 ? 19 ARG A C 1 ATOM 130 O O . ARG A 1 19 ? 16.954 28.962 4.181 1.00 28.90 ? 19 ARG A O 1 ATOM 131 C CB . ARG A 1 19 ? 20.045 27.807 3.815 1.00 23.69 ? 19 ARG A CB 1 ATOM 132 C CG . ARG A 1 19 ? 21.319 28.444 3.182 1.00 23.71 ? 19 ARG A CG 1 ATOM 133 C CD . ARG A 1 19 ? 22.218 27.413 2.548 1.00 25.51 ? 19 ARG A CD 1 ATOM 134 N NE . ARG A 1 19 ? 21.833 27.036 1.169 1.00 24.63 ? 19 ARG A NE 1 ATOM 135 C CZ . ARG A 1 19 ? 22.157 27.732 0.080 1.00 26.83 ? 19 ARG A CZ 1 ATOM 136 N NH1 . ARG A 1 19 ? 21.842 27.239 -1.097 1.00 23.83 ? 19 ARG A NH1 1 ATOM 137 N NH2 . ARG A 1 19 ? 22.905 28.858 0.155 1.00 23.04 ? 19 ARG A NH2 1 ATOM 138 N N . LYS A 1 20 ? 17.632 27.627 5.889 1.00 32.02 ? 20 LYS A N 1 ATOM 139 C CA . LYS A 1 20 ? 16.252 27.312 6.283 1.00 32.46 ? 20 LYS A CA 1 ATOM 140 C C . LYS A 1 20 ? 15.540 28.543 6.825 1.00 29.76 ? 20 LYS A C 1 ATOM 141 O O . LYS A 1 20 ? 14.452 28.743 6.457 1.00 29.16 ? 20 LYS A O 1 ATOM 142 C CB . LYS A 1 20 ? 16.197 26.201 7.362 1.00 33.89 ? 20 LYS A CB 1 ATOM 143 C CG . LYS A 1 20 ? 14.758 25.710 7.563 1.00 43.96 ? 20 LYS A CG 1 ATOM 144 C CD . LYS A 1 20 ? 14.690 24.338 8.221 1.00 51.28 ? 20 LYS A CD 1 ATOM 145 C CE . LYS A 1 20 ? 13.307 24.116 8.813 1.00 55.70 ? 20 LYS A CE 1 ATOM 146 N NZ . LYS A 1 20 ? 13.186 22.726 9.309 1.00 71.38 ? 20 LYS A NZ 1 ATOM 147 N N . ASP A 1 21 ? 16.156 29.299 7.744 1.00 30.01 ? 21 ASP A N 1 ATOM 148 C CA . ASP A 1 21 ? 15.624 30.519 8.242 1.00 29.63 ? 21 ASP A CA 1 ATOM 149 C C . ASP A 1 21 ? 15.249 31.551 7.164 1.00 37.09 ? 21 ASP A C 1 ATOM 150 O O . ASP A 1 21 ? 14.163 32.155 7.264 1.00 34.41 ? 21 ASP A O 1 ATOM 151 C CB . ASP A 1 21 ? 16.635 31.179 9.095 1.00 32.93 ? 21 ASP A CB 1 ATOM 152 C CG . ASP A 1 21 ? 16.730 30.544 10.467 1.00 40.74 ? 21 ASP A CG 1 ATOM 153 O OD1 . ASP A 1 21 ? 15.933 29.666 10.737 1.00 38.54 ? 21 ASP A OD1 1 ATOM 154 O OD2 . ASP A 1 21 ? 17.595 30.943 11.243 1.00 36.20 ? 21 ASP A OD2 1 ATOM 155 N N . VAL A 1 22 ? 16.160 31.818 6.194 1.00 31.67 ? 22 VAL A N 1 ATOM 156 C CA . VAL A 1 22 ? 15.856 32.832 5.156 1.00 27.65 ? 22 VAL A CA 1 ATOM 157 C C . VAL A 1 22 ? 14.655 32.377 4.297 1.00 27.94 ? 22 VAL A C 1 ATOM 158 O O . VAL A 1 22 ? 13.843 33.234 3.918 1.00 33.39 ? 22 VAL A O 1 ATOM 159 C CB . VAL A 1 22 ? 17.113 33.258 4.310 1.00 28.38 ? 22 VAL A CB 1 ATOM 160 C CG1 . VAL A 1 22 ? 17.490 32.237 3.257 1.00 22.59 ? 22 VAL A CG1 1 ATOM 161 C CG2 . VAL A 1 22 ? 16.895 34.629 3.669 1.00 29.90 ? 22 VAL A CG2 1 ATOM 162 N N . LYS A 1 23 ? 14.503 31.071 4.013 1.00 29.39 ? 23 LYS A N 1 ATOM 163 C CA . LYS A 1 23 ? 13.247 30.585 3.372 1.00 32.70 ? 23 LYS A CA 1 ATOM 164 C C . LYS A 1 23 ? 11.935 30.738 4.163 1.00 37.41 ? 23 LYS A C 1 ATOM 165 O O . LYS A 1 23 ? 10.877 30.493 3.602 1.00 36.59 ? 23 LYS A O 1 ATOM 166 C CB . LYS A 1 23 ? 13.327 29.157 2.999 1.00 26.88 ? 23 LYS A CB 1 ATOM 167 C CG . LYS A 1 23 ? 14.350 28.960 1.959 1.00 36.12 ? 23 LYS A CG 1 ATOM 168 C CD . LYS A 1 23 ? 14.158 27.638 1.282 1.00 45.41 ? 23 LYS A CD 1 ATOM 169 C CE . LYS A 1 23 ? 14.559 26.567 2.235 1.00 48.90 ? 23 LYS A CE 1 ATOM 170 N NZ . LYS A 1 23 ? 15.015 25.374 1.479 1.00 60.76 ? 23 LYS A NZ 1 ATOM 171 N N . ASN A 1 24 ? 12.018 31.107 5.434 1.00 33.55 ? 24 ASN A N 1 ATOM 172 C CA . ASN A 1 24 ? 10.876 31.062 6.337 1.00 36.78 ? 24 ASN A CA 1 ATOM 173 C C . ASN A 1 24 ? 10.783 32.337 7.130 1.00 42.28 ? 24 ASN A C 1 ATOM 174 O O . ASN A 1 24 ? 10.323 32.282 8.247 1.00 38.65 ? 24 ASN A O 1 ATOM 175 C CB . ASN A 1 24 ? 11.090 29.920 7.332 1.00 40.41 ? 24 ASN A CB 1 ATOM 176 C CG . ASN A 1 24 ? 10.829 28.607 6.696 1.00 44.14 ? 24 ASN A CG 1 ATOM 177 O OD1 . ASN A 1 24 ? 9.680 28.354 6.378 1.00 59.29 ? 24 ASN A OD1 1 ATOM 178 N ND2 . ASN A 1 24 ? 11.887 27.834 6.336 1.00 45.51 ? 24 ASN A ND2 1 ATOM 179 N N . CYS A 1 25 ? 11.295 33.462 6.592 1.00 35.88 ? 25 CYS A N 1 ATOM 180 C CA . CYS A 1 25 ? 11.096 34.793 7.173 1.00 37.32 ? 25 CYS A CA 1 ATOM 181 C C . CYS A 1 25 ? 11.798 34.989 8.481 1.00 39.59 ? 25 CYS A C 1 ATOM 182 O O . CYS A 1 25 ? 11.401 35.831 9.270 1.00 39.00 ? 25 CYS A O 1 ATOM 183 C CB . CYS A 1 25 ? 9.609 35.131 7.371 1.00 36.27 ? 25 CYS A CB 1 ATOM 184 S SG . CYS A 1 25 ? 8.684 35.284 5.851 1.00 42.20 ? 25 CYS A SG 1 ATOM 185 N N . ARG A 1 26 ? 12.855 34.232 8.717 1.00 36.88 ? 26 ARG A N 1 ATOM 186 C CA . ARG A 1 26 ? 13.437 34.218 10.020 1.00 39.71 ? 26 ARG A CA 1 ATOM 187 C C . ARG A 1 26 ? 14.742 34.966 9.965 1.00 43.25 ? 26 ARG A C 1 ATOM 188 O O . ARG A 1 26 ? 15.424 35.044 10.970 1.00 47.99 ? 26 ARG A O 1 ATOM 189 C CB . ARG A 1 26 ? 13.623 32.776 10.560 1.00 36.36 ? 26 ARG A CB 1 ATOM 190 C CG . ARG A 1 26 ? 12.330 32.076 11.064 1.00 44.85 ? 26 ARG A CG 1 ATOM 191 C CD . ARG A 1 26 ? 12.653 30.677 11.686 1.00 47.48 ? 26 ARG A CD 1 ATOM 192 N NE . ARG A 1 26 ? 11.956 29.540 11.019 1.00 55.99 ? 26 ARG A NE 1 ATOM 193 C CZ . ARG A 1 26 ? 12.537 28.485 10.420 1.00 54.91 ? 26 ARG A CZ 1 ATOM 194 N NH1 . ARG A 1 26 ? 13.857 28.370 10.350 1.00 57.31 ? 26 ARG A NH1 1 ATOM 195 N NH2 . ARG A 1 26 ? 11.792 27.535 9.851 1.00 66.47 ? 26 ARG A NH2 1 ATOM 196 N N . ILE A 1 27 ? 15.100 35.567 8.831 1.00 41.92 ? 27 ILE A N 1 ATOM 197 C CA . ILE A 1 27 ? 16.214 36.582 8.881 1.00 40.47 ? 27 ILE A CA 1 ATOM 198 C C . ILE A 1 27 ? 15.609 37.955 8.900 1.00 36.73 ? 27 ILE A C 1 ATOM 199 O O . ILE A 1 27 ? 14.967 38.312 7.898 1.00 38.28 ? 27 ILE A O 1 ATOM 200 C CB . ILE A 1 27 ? 17.115 36.533 7.609 1.00 43.26 ? 27 ILE A CB 1 ATOM 201 C CG1 . ILE A 1 27 ? 17.448 35.068 7.260 1.00 43.28 ? 27 ILE A CG1 1 ATOM 202 C CG2 . ILE A 1 27 ? 18.315 37.479 7.725 1.00 35.80 ? 27 ILE A CG2 1 ATOM 203 C CD1 . ILE A 1 27 ? 18.466 34.435 8.150 1.00 35.21 ? 27 ILE A CD1 1 ATOM 204 N N . PRO A 1 28 ? 15.809 38.730 9.987 1.00 35.97 ? 28 PRO A N 1 ATOM 205 C CA . PRO A 1 28 ? 15.092 40.011 10.156 1.00 38.18 ? 28 PRO A CA 1 ATOM 206 C C . PRO A 1 28 ? 15.336 40.965 8.977 1.00 39.34 ? 28 PRO A C 1 ATOM 207 O O . PRO A 1 28 ? 16.488 41.182 8.557 1.00 37.47 ? 28 PRO A O 1 ATOM 208 C CB . PRO A 1 28 ? 15.739 40.606 11.447 1.00 40.12 ? 28 PRO A CB 1 ATOM 209 C CG . PRO A 1 28 ? 15.979 39.347 12.288 1.00 40.94 ? 28 PRO A CG 1 ATOM 210 C CD . PRO A 1 28 ? 16.516 38.341 11.238 1.00 37.53 ? 28 PRO A CD 1 ATOM 211 N N . GLY A 1 29 ? 14.245 41.536 8.480 1.00 33.76 ? 29 GLY A N 1 ATOM 212 C CA . GLY A 1 29 ? 14.301 42.637 7.497 1.00 34.39 ? 29 GLY A CA 1 ATOM 213 C C . GLY A 1 29 ? 14.702 42.092 6.125 1.00 35.61 ? 29 GLY A C 1 ATOM 214 O O . GLY A 1 29 ? 15.007 42.846 5.239 1.00 36.56 ? 29 GLY A O 1 ATOM 215 N N . GLN A 1 30 ? 14.738 40.780 5.927 1.00 34.46 ? 30 GLN A N 1 ATOM 216 C CA . GLN A 1 30 ? 15.195 40.301 4.587 1.00 34.64 ? 30 GLN A CA 1 ATOM 217 C C . GLN A 1 30 ? 14.019 39.596 3.969 1.00 31.22 ? 30 GLN A C 1 ATOM 218 O O . GLN A 1 30 ? 13.439 38.804 4.654 1.00 33.42 ? 30 GLN A O 1 ATOM 219 C CB . GLN A 1 30 ? 16.388 39.288 4.724 1.00 30.45 ? 30 GLN A CB 1 ATOM 220 C CG . GLN A 1 30 ? 17.752 39.899 5.113 1.00 29.14 ? 30 GLN A CG 1 ATOM 221 C CD . GLN A 1 30 ? 18.178 41.023 4.181 1.00 32.00 ? 30 GLN A CD 1 ATOM 222 O OE1 . GLN A 1 30 ? 17.863 41.026 3.002 1.00 31.53 ? 30 GLN A OE1 1 ATOM 223 N NE2 . GLN A 1 30 ? 18.945 41.966 4.712 1.00 38.28 ? 30 GLN A NE2 1 ATOM 224 N N . PRO A 1 31 ? 13.718 39.798 2.659 1.00 33.20 ? 31 PRO A N 1 ATOM 225 C CA . PRO A 1 31 ? 12.604 39.030 2.075 1.00 30.83 ? 31 PRO A CA 1 ATOM 226 C C . PRO A 1 31 ? 12.873 37.530 2.111 1.00 31.88 ? 31 PRO A C 1 ATOM 227 O O . PRO A 1 31 ? 14.018 37.127 2.036 1.00 31.95 ? 31 PRO A O 1 ATOM 228 C CB . PRO A 1 31 ? 12.529 39.545 0.632 1.00 37.83 ? 31 PRO A CB 1 ATOM 229 C CG . PRO A 1 31 ? 13.955 39.915 0.286 1.00 33.75 ? 31 PRO A CG 1 ATOM 230 C CD . PRO A 1 31 ? 14.478 40.524 1.610 1.00 33.60 ? 31 PRO A CD 1 ATOM 231 N N . PRO A 1 32 ? 11.816 36.698 2.225 1.00 33.99 ? 32 PRO A N 1 ATOM 232 C CA . PRO A 1 32 ? 12.103 35.272 2.286 1.00 32.24 ? 32 PRO A CA 1 ATOM 233 C C . PRO A 1 32 ? 12.468 34.745 0.916 1.00 33.65 ? 32 PRO A C 1 ATOM 234 O O . PRO A 1 32 ? 11.974 35.242 -0.071 1.00 32.05 ? 32 PRO A O 1 ATOM 235 C CB . PRO A 1 32 ? 10.721 34.632 2.716 1.00 31.86 ? 32 PRO A CB 1 ATOM 236 C CG . PRO A 1 32 ? 9.697 35.634 2.282 1.00 31.66 ? 32 PRO A CG 1 ATOM 237 C CD . PRO A 1 32 ? 10.389 36.992 2.570 1.00 29.77 ? 32 PRO A CD 1 ATOM 238 N N . ALA A 1 33 ? 13.225 33.668 0.872 1.00 30.21 ? 33 ALA A N 1 ATOM 239 C CA . ALA A 1 33 ? 13.641 33.111 -0.363 1.00 28.52 ? 33 ALA A CA 1 ATOM 240 C C . ALA A 1 33 ? 12.647 32.083 -0.891 1.00 35.96 ? 33 ALA A C 1 ATOM 241 O O . ALA A 1 33 ? 12.109 31.241 -0.101 1.00 33.51 ? 33 ALA A O 1 ATOM 242 C CB . ALA A 1 33 ? 14.967 32.437 -0.130 1.00 25.52 ? 33 ALA A CB 1 ATOM 243 N N . LYS A 1 34 ? 12.418 32.101 -2.203 1.00 35.55 ? 34 LYS A N 1 ATOM 244 C CA . LYS A 1 34 ? 11.516 31.160 -2.819 1.00 35.62 ? 34 LYS A CA 1 ATOM 245 C C . LYS A 1 34 ? 12.097 29.738 -2.883 1.00 40.34 ? 34 LYS A C 1 ATOM 246 O O . LYS A 1 34 ? 11.384 28.752 -2.640 1.00 39.78 ? 34 LYS A O 1 ATOM 247 C CB . LYS A 1 34 ? 11.157 31.589 -4.232 1.00 43.41 ? 34 LYS A CB 1 ATOM 248 C CG . LYS A 1 34 ? 10.064 30.734 -4.907 1.00 42.48 ? 34 LYS A CG 1 ATOM 249 C CD . LYS A 1 34 ? 10.094 30.980 -6.409 1.00 50.47 ? 34 LYS A CD 1 ATOM 250 C CE . LYS A 1 34 ? 8.714 31.155 -7.027 1.00 55.16 ? 34 LYS A CE 1 ATOM 251 N NZ . LYS A 1 34 ? 8.629 30.121 -8.084 1.00 63.05 ? 34 LYS A NZ 1 ATOM 252 N N . ASN A 1 35 ? 13.363 29.624 -3.250 1.00 35.40 ? 35 ASN A N 1 ATOM 253 C CA . ASN A 1 35 ? 14.041 28.339 -3.381 1.00 39.49 ? 35 ASN A CA 1 ATOM 254 C C . ASN A 1 35 ? 15.564 28.533 -2.997 1.00 39.43 ? 35 ASN A C 1 ATOM 255 O O . ASN A 1 35 ? 16.114 29.626 -3.243 1.00 39.40 ? 35 ASN A O 1 ATOM 256 C CB . ASN A 1 35 ? 13.982 27.868 -4.816 1.00 40.77 ? 35 ASN A CB 1 ATOM 257 C CG . ASN A 1 35 ? 14.731 26.548 -4.999 1.00 60.87 ? 35 ASN A CG 1 ATOM 258 O OD1 . ASN A 1 35 ? 14.238 25.514 -4.531 1.00 66.51 ? 35 ASN A OD1 1 ATOM 259 N ND2 . ASN A 1 35 ? 15.963 26.579 -5.605 1.00 59.02 ? 35 ASN A ND2 1 ATOM 260 N N . LEU A 1 36 ? 16.233 27.506 -2.461 1.00 35.26 ? 36 LEU A N 1 ATOM 261 C CA . LEU A 1 36 ? 17.714 27.521 -2.294 1.00 34.06 ? 36 LEU A CA 1 ATOM 262 C C . LEU A 1 36 ? 18.084 26.086 -2.512 1.00 36.62 ? 36 LEU A C 1 ATOM 263 O O . LEU A 1 36 ? 17.393 25.210 -2.035 1.00 33.25 ? 36 LEU A O 1 ATOM 264 C CB . LEU A 1 36 ? 18.095 27.920 -0.867 1.00 31.89 ? 36 LEU A CB 1 ATOM 265 C CG . LEU A 1 36 ? 17.729 29.316 -0.442 1.00 33.58 ? 36 LEU A CG 1 ATOM 266 C CD1 . LEU A 1 36 ? 18.169 29.486 1.008 1.00 31.32 ? 36 LEU A CD1 1 ATOM 267 C CD2 . LEU A 1 36 ? 18.257 30.422 -1.384 1.00 29.09 ? 36 LEU A CD2 1 ATOM 268 N N . THR A 1 37 ? 19.137 25.817 -3.266 1.00 35.62 ? 37 THR A N 1 ATOM 269 C CA . THR A 1 37 ? 19.589 24.483 -3.379 1.00 29.45 ? 37 THR A CA 1 ATOM 270 C C . THR A 1 37 ? 20.047 23.981 -1.980 1.00 33.25 ? 37 THR A C 1 ATOM 271 O O . THR A 1 37 ? 20.651 24.777 -1.200 1.00 32.38 ? 37 THR A O 1 ATOM 272 C CB . THR A 1 37 ? 20.750 24.497 -4.390 1.00 34.32 ? 37 THR A CB 1 ATOM 273 O OG1 . THR A 1 37 ? 20.237 25.102 -5.563 1.00 40.27 ? 37 THR A OG1 1 ATOM 274 C CG2 . THR A 1 37 ? 21.219 23.095 -4.770 1.00 30.44 ? 37 THR A CG2 1 ATOM 275 N N . LYS A 1 38 ? 19.809 22.698 -1.667 1.00 34.97 ? 38 LYS A N 1 ATOM 276 C CA . LYS A 1 38 ? 20.324 22.041 -0.436 1.00 39.74 ? 38 LYS A CA 1 ATOM 277 C C . LYS A 1 38 ? 21.824 21.924 -0.524 1.00 34.65 ? 38 LYS A C 1 ATOM 278 O O . LYS A 1 38 ? 22.328 21.411 -1.529 1.00 35.24 ? 38 LYS A O 1 ATOM 279 C CB . LYS A 1 38 ? 19.836 20.575 -0.248 1.00 47.97 ? 38 LYS A CB 1 ATOM 280 C CG . LYS A 1 38 ? 18.359 20.377 0.011 1.00 66.60 ? 38 LYS A CG 1 ATOM 281 C CD . LYS A 1 38 ? 17.892 21.043 1.289 1.00 60.23 ? 38 LYS A CD 1 ATOM 282 C CE . LYS A 1 38 ? 16.543 21.685 1.036 1.00 64.07 ? 38 LYS A CE 1 ATOM 283 N NZ . LYS A 1 38 ? 15.621 21.264 2.130 1.00 66.32 ? 38 LYS A NZ 1 ATOM 284 N N . LEU A 1 39 ? 22.533 22.332 0.535 1.00 26.70 ? 39 LEU A N 1 ATOM 285 C CA . LEU A 1 39 ? 23.987 22.284 0.514 1.00 31.54 ? 39 LEU A CA 1 ATOM 286 C C . LEU A 1 39 ? 24.433 20.868 0.744 1.00 33.23 ? 39 LEU A C 1 ATOM 287 O O . LEU A 1 39 ? 23.943 20.286 1.630 1.00 31.77 ? 39 LEU A O 1 ATOM 288 C CB . LEU A 1 39 ? 24.522 23.110 1.691 1.00 27.04 ? 39 LEU A CB 1 ATOM 289 C CG . LEU A 1 39 ? 24.439 24.596 1.553 1.00 29.93 ? 39 LEU A CG 1 ATOM 290 C CD1 . LEU A 1 39 ? 25.118 25.282 2.772 1.00 28.22 ? 39 LEU A CD1 1 ATOM 291 C CD2 . LEU A 1 39 ? 25.067 25.052 0.216 1.00 24.92 ? 39 LEU A CD2 1 ATOM 292 N N . LYS A 1 40 ? 25.422 20.364 0.030 1.00 32.02 ? 40 LYS A N 1 ATOM 293 C CA . LYS A 1 40 ? 26.058 19.104 0.379 1.00 32.19 ? 40 LYS A CA 1 ATOM 294 C C . LYS A 1 40 ? 27.523 19.341 0.680 1.00 32.80 ? 40 LYS A C 1 ATOM 295 O O . LYS A 1 40 ? 28.177 20.107 -0.001 1.00 33.00 ? 40 LYS A O 1 ATOM 296 C CB . LYS A 1 40 ? 25.990 18.148 -0.813 1.00 33.54 ? 40 LYS A CB 1 ATOM 297 C CG . LYS A 1 40 ? 24.577 17.639 -1.008 1.00 45.69 ? 40 LYS A CG 1 ATOM 298 C CD . LYS A 1 40 ? 24.325 17.161 -2.436 1.00 56.69 ? 40 LYS A CD 1 ATOM 299 C CE . LYS A 1 40 ? 25.607 16.949 -3.235 1.00 63.98 ? 40 LYS A CE 1 ATOM 300 N NZ . LYS A 1 40 ? 25.633 18.025 -4.264 1.00 75.22 ? 40 LYS A NZ 1 ATOM 301 N N . TRP A 1 41 ? 28.028 18.687 1.707 1.00 29.63 ? 41 TRP A N 1 ATOM 302 C CA . TRP A 1 41 ? 29.415 18.835 2.081 1.00 34.96 ? 41 TRP A CA 1 ATOM 303 C C . TRP A 1 41 ? 30.286 18.239 1.032 1.00 35.90 ? 41 TRP A C 1 ATOM 304 O O . TRP A 1 41 ? 29.910 17.271 0.466 1.00 39.75 ? 41 TRP A O 1 ATOM 305 C CB . TRP A 1 41 ? 29.654 18.060 3.374 1.00 36.39 ? 41 TRP A CB 1 ATOM 306 C CG . TRP A 1 41 ? 31.020 18.309 3.920 1.00 34.30 ? 41 TRP A CG 1 ATOM 307 C CD1 . TRP A 1 41 ? 32.136 17.537 3.736 1.00 32.21 ? 41 TRP A CD1 1 ATOM 308 C CD2 . TRP A 1 41 ? 31.421 19.430 4.712 1.00 30.41 ? 41 TRP A CD2 1 ATOM 309 N NE1 . TRP A 1 41 ? 33.224 18.104 4.418 1.00 34.36 ? 41 TRP A NE1 1 ATOM 310 C CE2 . TRP A 1 41 ? 32.795 19.254 5.034 1.00 32.19 ? 41 TRP A CE2 1 ATOM 311 C CE3 . TRP A 1 41 ? 30.742 20.542 5.228 1.00 29.64 ? 41 TRP A CE3 1 ATOM 312 C CZ2 . TRP A 1 41 ? 33.523 20.185 5.820 1.00 30.48 ? 41 TRP A CZ2 1 ATOM 313 C CZ3 . TRP A 1 41 ? 31.491 21.480 6.061 1.00 28.86 ? 41 TRP A CZ3 1 ATOM 314 C CH2 . TRP A 1 41 ? 32.835 21.263 6.335 1.00 29.47 ? 41 TRP A CH2 1 ATOM 315 N N . ASN A 1 42 ? 31.472 18.766 0.786 1.00 29.82 ? 42 ASN A N 1 ATOM 316 C CA . ASN A 1 42 ? 32.297 18.261 -0.294 1.00 29.17 ? 42 ASN A CA 1 ATOM 317 C C . ASN A 1 42 ? 33.718 18.210 0.186 1.00 34.30 ? 42 ASN A C 1 ATOM 318 O O . ASN A 1 42 ? 34.257 19.201 0.721 1.00 29.80 ? 42 ASN A O 1 ATOM 319 C CB . ASN A 1 42 ? 32.266 19.144 -1.497 1.00 27.23 ? 42 ASN A CB 1 ATOM 320 C CG . ASN A 1 42 ? 33.198 18.647 -2.594 1.00 32.49 ? 42 ASN A CG 1 ATOM 321 O OD1 . ASN A 1 42 ? 34.388 18.951 -2.675 1.00 32.70 ? 42 ASN A OD1 1 ATOM 322 N ND2 . ASN A 1 42 ? 32.614 17.922 -3.513 1.00 32.69 ? 42 ASN A ND2 1 ATOM 323 N N . LYS A 1 43 ? 34.337 17.046 0.071 1.00 37.54 ? 43 LYS A N 1 ATOM 324 C CA . LYS A 1 43 ? 35.579 16.721 0.832 1.00 36.92 ? 43 LYS A CA 1 ATOM 325 C C . LYS A 1 43 ? 36.714 17.483 0.207 1.00 34.99 ? 43 LYS A C 1 ATOM 326 O O . LYS A 1 43 ? 37.622 17.937 0.892 1.00 37.64 ? 43 LYS A O 1 ATOM 327 C CB . LYS A 1 43 ? 35.888 15.216 0.690 1.00 46.26 ? 43 LYS A CB 1 ATOM 328 C CG . LYS A 1 43 ? 36.482 14.528 1.896 1.00 56.14 ? 43 LYS A CG 1 ATOM 329 C CD . LYS A 1 43 ? 35.536 13.444 2.409 1.00 66.79 ? 43 LYS A CD 1 ATOM 330 C CE . LYS A 1 43 ? 36.119 12.056 2.194 1.00 76.07 ? 43 LYS A CE 1 ATOM 331 N NZ . LYS A 1 43 ? 35.087 10.990 2.401 1.00 81.44 ? 43 LYS A NZ 1 ATOM 332 N N . LEU A 1 44 ? 36.677 17.597 -1.127 1.00 33.54 ? 44 LEU A N 1 ATOM 333 C CA . LEU A 1 44 ? 37.694 18.327 -1.867 1.00 37.99 ? 44 LEU A CA 1 ATOM 334 C C . LEU A 1 44 ? 37.698 19.866 -1.534 1.00 36.87 ? 44 LEU A C 1 ATOM 335 O O . LEU A 1 44 ? 38.792 20.495 -1.383 1.00 31.02 ? 44 LEU A O 1 ATOM 336 C CB . LEU A 1 44 ? 37.519 18.114 -3.385 1.00 44.05 ? 44 LEU A CB 1 ATOM 337 C CG . LEU A 1 44 ? 38.764 17.926 -4.254 1.00 61.44 ? 44 LEU A CG 1 ATOM 338 C CD1 . LEU A 1 44 ? 38.420 18.126 -5.739 1.00 55.85 ? 44 LEU A CD1 1 ATOM 339 C CD2 . LEU A 1 44 ? 40.007 18.730 -3.788 1.00 56.81 ? 44 LEU A CD2 1 ATOM 340 N N . LEU A 1 45 ? 36.511 20.462 -1.465 1.00 31.21 ? 45 LEU A N 1 ATOM 341 C CA . LEU A 1 45 ? 36.407 21.864 -1.055 1.00 30.10 ? 45 LEU A CA 1 ATOM 342 C C . LEU A 1 45 ? 37.005 21.985 0.397 1.00 29.18 ? 45 LEU A C 1 ATOM 343 O O . LEU A 1 45 ? 37.743 22.960 0.675 1.00 30.00 ? 45 LEU A O 1 ATOM 344 C CB . LEU A 1 45 ? 34.980 22.314 -1.104 1.00 29.38 ? 45 LEU A CB 1 ATOM 345 C CG . LEU A 1 45 ? 34.199 22.510 -2.402 1.00 33.59 ? 45 LEU A CG 1 ATOM 346 C CD1 . LEU A 1 45 ? 32.835 23.094 -2.039 1.00 26.03 ? 45 LEU A CD1 1 ATOM 347 C CD2 . LEU A 1 45 ? 34.958 23.458 -3.369 1.00 29.67 ? 45 LEU A CD2 1 ATOM 348 N N . ALA A 1 46 ? 36.672 21.031 1.279 1.00 29.12 ? 46 ALA A N 1 ATOM 349 C CA . ALA A 1 46 ? 37.031 21.077 2.706 1.00 34.42 ? 46 ALA A CA 1 ATOM 350 C C . ALA A 1 46 ? 38.559 20.935 2.904 1.00 37.88 ? 46 ALA A C 1 ATOM 351 O O . ALA A 1 46 ? 39.185 21.706 3.623 1.00 33.92 ? 46 ALA A O 1 ATOM 352 C CB . ALA A 1 46 ? 36.297 20.025 3.503 1.00 27.55 ? 46 ALA A CB 1 ATOM 353 N N . ASN A 1 47 ? 39.165 20.034 2.151 1.00 36.84 ? 47 ASN A N 1 ATOM 354 C CA . ASN A 1 47 ? 40.595 19.879 2.201 1.00 36.46 ? 47 ASN A CA 1 ATOM 355 C C . ASN A 1 47 ? 41.313 21.055 1.657 1.00 36.77 ? 47 ASN A C 1 ATOM 356 O O . ASN A 1 47 ? 42.392 21.434 2.200 1.00 38.40 ? 47 ASN A O 1 ATOM 357 C CB . ASN A 1 47 ? 41.024 18.628 1.431 1.00 43.24 ? 47 ASN A CB 1 ATOM 358 C CG . ASN A 1 47 ? 40.522 17.384 2.093 1.00 51.91 ? 47 ASN A CG 1 ATOM 359 O OD1 . ASN A 1 47 ? 40.051 17.419 3.243 1.00 55.97 ? 47 ASN A OD1 1 ATOM 360 N ND2 . ASN A 1 47 ? 40.568 16.266 1.368 1.00 69.30 ? 47 ASN A ND2 1 ATOM 361 N N . LYS A 1 48 ? 40.794 21.641 0.570 1.00 34.16 ? 48 LYS A N 1 ATOM 362 C CA . LYS A 1 48 ? 41.508 22.794 0.017 1.00 31.78 ? 48 LYS A CA 1 ATOM 363 C C . LYS A 1 48 ? 41.405 23.940 1.008 1.00 31.20 ? 48 LYS A C 1 ATOM 364 O O . LYS A 1 48 ? 42.395 24.687 1.222 1.00 29.74 ? 48 LYS A O 1 ATOM 365 C CB . LYS A 1 48 ? 41.057 23.160 -1.367 1.00 32.82 ? 48 LYS A CB 1 ATOM 366 C CG . LYS A 1 48 ? 41.637 22.119 -2.372 1.00 53.19 ? 48 LYS A CG 1 ATOM 367 C CD . LYS A 1 48 ? 43.019 22.466 -2.933 1.00 45.49 ? 48 LYS A CD 1 ATOM 368 C CE . LYS A 1 48 ? 43.034 23.918 -3.391 1.00 57.93 ? 48 LYS A CE 1 ATOM 369 N NZ . LYS A 1 48 ? 44.350 24.295 -3.929 1.00 55.95 ? 48 LYS A NZ 1 ATOM 370 N N . ALA A 1 49 ? 40.246 23.989 1.668 1.00 28.97 ? 49 ALA A N 1 ATOM 371 C CA . ALA A 1 49 ? 39.949 25.063 2.658 1.00 29.24 ? 49 ALA A CA 1 ATOM 372 C C . ALA A 1 49 ? 40.978 24.923 3.757 1.00 33.88 ? 49 ALA A C 1 ATOM 373 O O . ALA A 1 49 ? 41.540 25.912 4.250 1.00 33.31 ? 49 ALA A O 1 ATOM 374 C CB . ALA A 1 49 ? 38.550 24.914 3.239 1.00 21.47 ? 49 ALA A CB 1 ATOM 375 N N . LYS A 1 50 ? 41.198 23.678 4.155 1.00 36.92 ? 50 LYS A N 1 ATOM 376 C CA . LYS A 1 50 ? 42.108 23.348 5.283 1.00 35.49 ? 50 LYS A CA 1 ATOM 377 C C . LYS A 1 50 ? 43.595 23.611 4.970 1.00 33.44 ? 50 LYS A C 1 ATOM 378 O O . LYS A 1 50 ? 44.296 24.198 5.775 1.00 31.38 ? 50 LYS A O 1 ATOM 379 C CB . LYS A 1 50 ? 41.941 21.855 5.639 1.00 41.20 ? 50 LYS A CB 1 ATOM 380 C CG . LYS A 1 50 ? 42.498 21.540 7.012 1.00 43.95 ? 50 LYS A CG 1 ATOM 381 C CD . LYS A 1 50 ? 41.376 21.095 7.938 1.00 72.13 ? 50 LYS A CD 1 ATOM 382 C CE . LYS A 1 50 ? 41.017 19.597 7.816 1.00 65.49 ? 50 LYS A CE 1 ATOM 383 N NZ . LYS A 1 50 ? 41.908 18.748 8.654 1.00 76.15 ? 50 LYS A NZ 1 ATOM 384 N N . GLN A 1 51 ? 44.075 23.207 3.774 1.00 31.87 ? 51 GLN A N 1 ATOM 385 C CA . GLN A 1 51 ? 45.421 23.573 3.356 1.00 36.65 ? 51 GLN A CA 1 ATOM 386 C C . GLN A 1 51 ? 45.607 25.089 3.406 1.00 39.23 ? 51 GLN A C 1 ATOM 387 O O . GLN A 1 51 ? 46.658 25.552 3.831 1.00 34.40 ? 51 GLN A O 1 ATOM 388 C CB . GLN A 1 51 ? 45.728 23.063 1.908 1.00 41.37 ? 51 GLN A CB 1 ATOM 389 C CG . GLN A 1 51 ? 45.758 21.519 1.833 1.00 56.66 ? 51 GLN A CG 1 ATOM 390 C CD . GLN A 1 51 ? 45.668 21.022 0.395 1.00 75.05 ? 51 GLN A CD 1 ATOM 391 O OE1 . GLN A 1 51 ? 44.664 20.431 -0.034 1.00 89.70 ? 51 GLN A OE1 1 ATOM 392 N NE2 . GLN A 1 51 ? 46.709 21.293 -0.369 1.00 82.52 ? 51 GLN A NE2 1 ATOM 393 N N . GLN A 1 52 ? 44.602 25.856 2.943 1.00 37.23 ? 52 GLN A N 1 ATOM 394 C CA . GLN A 1 52 ? 44.668 27.315 2.988 1.00 32.30 ? 52 GLN A CA 1 ATOM 395 C C . GLN A 1 52 ? 44.694 27.725 4.473 1.00 34.08 ? 52 GLN A C 1 ATOM 396 O O . GLN A 1 52 ? 45.528 28.522 4.869 1.00 31.81 ? 52 GLN A O 1 ATOM 397 C CB . GLN A 1 52 ? 43.439 27.942 2.397 1.00 31.49 ? 52 GLN A CB 1 ATOM 398 C CG . GLN A 1 52 ? 43.476 29.471 2.397 1.00 33.52 ? 52 GLN A CG 1 ATOM 399 C CD . GLN A 1 52 ? 42.435 30.067 1.450 1.00 28.72 ? 52 GLN A CD 1 ATOM 400 O OE1 . GLN A 1 52 ? 42.013 29.409 0.509 1.00 28.31 ? 52 GLN A OE1 1 ATOM 401 N NE2 . GLN A 1 52 ? 42.060 31.330 1.677 1.00 26.23 ? 52 GLN A NE2 1 ATOM 402 N N . ALA A 1 53 ? 43.780 27.223 5.290 1.00 25.74 ? 53 ALA A N 1 ATOM 403 C CA . ALA A 1 53 ? 43.721 27.774 6.629 1.00 25.86 ? 53 ALA A CA 1 ATOM 404 C C . ALA A 1 53 ? 45.033 27.443 7.435 1.00 30.81 ? 53 ALA A C 1 ATOM 405 O O . ALA A 1 53 ? 45.415 28.213 8.335 1.00 30.42 ? 53 ALA A O 1 ATOM 406 C CB . ALA A 1 53 ? 42.548 27.211 7.401 1.00 24.54 ? 53 ALA A CB 1 ATOM 407 N N . LYS A 1 54 ? 45.692 26.313 7.107 1.00 32.26 ? 54 LYS A N 1 ATOM 408 C CA . LYS A 1 54 ? 46.945 25.934 7.821 1.00 40.69 ? 54 LYS A CA 1 ATOM 409 C C . LYS A 1 54 ? 48.086 26.934 7.596 1.00 42.18 ? 54 LYS A C 1 ATOM 410 O O . LYS A 1 54 ? 48.975 26.979 8.423 1.00 35.79 ? 54 LYS A O 1 ATOM 411 C CB . LYS A 1 54 ? 47.505 24.543 7.404 1.00 41.36 ? 54 LYS A CB 1 ATOM 412 C CG . LYS A 1 54 ? 46.757 23.332 7.926 1.00 50.62 ? 54 LYS A CG 1 ATOM 413 C CD . LYS A 1 54 ? 47.414 22.066 7.377 1.00 51.85 ? 54 LYS A CD 1 ATOM 414 C CE . LYS A 1 54 ? 46.493 20.870 7.517 1.00 67.15 ? 54 LYS A CE 1 ATOM 415 N NZ . LYS A 1 54 ? 47.250 19.597 7.674 1.00 72.35 ? 54 LYS A NZ 1 ATOM 416 N N . ARG A 1 55 ? 48.073 27.731 6.503 1.00 35.08 ? 55 ARG A N 1 ATOM 417 C CA . ARG A 1 55 ? 49.033 28.808 6.363 1.00 34.94 ? 55 ARG A CA 1 ATOM 418 C C . ARG A 1 55 ? 48.887 29.906 7.354 1.00 36.80 ? 55 ARG A C 1 ATOM 419 O O . ARG A 1 55 ? 49.822 30.734 7.547 1.00 40.18 ? 55 ARG A O 1 ATOM 420 C CB . ARG A 1 55 ? 49.054 29.394 4.926 1.00 39.44 ? 55 ARG A CB 1 ATOM 421 C CG . ARG A 1 55 ? 49.119 28.299 3.913 1.00 38.08 ? 55 ARG A CG 1 ATOM 422 C CD . ARG A 1 55 ? 49.318 28.870 2.497 1.00 45.68 ? 55 ARG A CD 1 ATOM 423 N NE . ARG A 1 55 ? 48.935 27.776 1.636 1.00 57.73 ? 55 ARG A NE 1 ATOM 424 C CZ . ARG A 1 55 ? 47.931 27.804 0.759 1.00 62.90 ? 55 ARG A CZ 1 ATOM 425 N NH1 . ARG A 1 55 ? 47.212 28.922 0.550 1.00 59.06 ? 55 ARG A NH1 1 ATOM 426 N NH2 . ARG A 1 55 ? 47.667 26.699 0.082 1.00 64.22 ? 55 ARG A NH2 1 ATOM 427 N N . CYS A 1 56 ? 47.746 29.947 8.005 1.00 34.89 ? 56 CYS A N 1 ATOM 428 C CA . CYS A 1 56 ? 47.478 30.961 9.018 1.00 31.78 ? 56 CYS A CA 1 ATOM 429 C C . CYS A 1 56 ? 47.531 32.432 8.514 1.00 39.03 ? 56 CYS A C 1 ATOM 430 O O . CYS A 1 56 ? 47.680 33.386 9.353 1.00 42.67 ? 56 CYS A O 1 ATOM 431 C CB . CYS A 1 56 ? 48.453 30.768 10.207 1.00 34.24 ? 56 CYS A CB 1 ATOM 432 S SG . CYS A 1 56 ? 47.847 29.452 11.279 1.00 37.49 ? 56 CYS A SG 1 ATOM 433 N N . LYS A 1 57 ? 47.433 32.601 7.192 1.00 31.48 ? 57 LYS A N 1 ATOM 434 C CA . LYS A 1 57 ? 47.396 33.918 6.557 1.00 35.94 ? 57 LYS A CA 1 ATOM 435 C C . LYS A 1 57 ? 45.935 34.291 6.156 1.00 40.27 ? 57 LYS A C 1 ATOM 436 O O . LYS A 1 57 ? 45.321 33.602 5.347 1.00 42.12 ? 57 LYS A O 1 ATOM 437 C CB . LYS A 1 57 ? 48.219 33.844 5.292 1.00 35.50 ? 57 LYS A CB 1 ATOM 438 C CG . LYS A 1 57 ? 49.716 33.668 5.457 1.00 40.55 ? 57 LYS A CG 1 ATOM 439 C CD . LYS A 1 57 ? 50.250 33.913 4.060 1.00 41.75 ? 57 LYS A CD 1 ATOM 440 C CE . LYS A 1 57 ? 51.292 32.891 3.754 1.00 49.89 ? 57 LYS A CE 1 ATOM 441 N NZ . LYS A 1 57 ? 51.958 33.350 2.509 1.00 54.91 ? 57 LYS A NZ 1 ATOM 442 N N . TYR A 1 58 ? 45.390 35.351 6.709 1.00 40.70 ? 58 TYR A N 1 ATOM 443 C CA . TYR A 1 58 ? 44.050 35.781 6.374 1.00 45.42 ? 58 TYR A CA 1 ATOM 444 C C . TYR A 1 58 ? 43.862 36.315 4.896 1.00 45.84 ? 58 TYR A C 1 ATOM 445 O O . TYR A 1 58 ? 43.199 35.688 4.071 1.00 49.24 ? 58 TYR A O 1 ATOM 446 C CB . TYR A 1 58 ? 43.647 36.790 7.401 1.00 38.79 ? 58 TYR A CB 1 ATOM 447 C CG . TYR A 1 58 ? 42.242 37.266 7.303 1.00 39.95 ? 58 TYR A CG 1 ATOM 448 C CD1 . TYR A 1 58 ? 41.182 36.461 7.724 1.00 36.76 ? 58 TYR A CD1 1 ATOM 449 C CD2 . TYR A 1 58 ? 41.957 38.546 6.783 1.00 44.25 ? 58 TYR A CD2 1 ATOM 450 C CE1 . TYR A 1 58 ? 39.848 36.895 7.658 1.00 34.12 ? 58 TYR A CE1 1 ATOM 451 C CE2 . TYR A 1 58 ? 40.623 39.025 6.722 1.00 45.38 ? 58 TYR A CE2 1 ATOM 452 C CZ . TYR A 1 58 ? 39.583 38.190 7.143 1.00 45.21 ? 58 TYR A CZ 1 ATOM 453 O OH . TYR A 1 58 ? 38.317 38.657 7.148 1.00 43.50 ? 58 TYR A OH 1 ATOM 454 N N . ASP A 1 59 ? 44.462 37.441 4.576 1.00 55.52 ? 59 ASP A N 1 ATOM 455 C CA . ASP A 1 59 ? 44.802 37.823 3.178 1.00 72.45 ? 59 ASP A CA 1 ATOM 456 C C . ASP A 1 59 ? 45.831 36.855 2.581 1.00 73.74 ? 59 ASP A C 1 ATOM 457 O O . ASP A 1 59 ? 46.901 36.640 3.130 1.00 87.39 ? 59 ASP A O 1 ATOM 458 C CB . ASP A 1 59 ? 45.347 39.281 3.165 1.00 71.62 ? 59 ASP A CB 1 ATOM 459 C CG . ASP A 1 59 ? 46.593 39.466 4.099 1.00 80.80 ? 59 ASP A CG 1 ATOM 460 O OD1 . ASP A 1 59 ? 47.728 39.255 3.612 1.00 86.10 ? 59 ASP A OD1 1 ATOM 461 O OD2 . ASP A 1 59 ? 46.450 39.782 5.318 1.00 76.49 ? 59 ASP A OD2 1 ATOM 462 N N . SER A 1 60 ? 45.547 36.228 1.469 1.00 85.46 ? 60 SER A N 1 ATOM 463 C CA . SER A 1 60 ? 46.588 35.355 0.955 1.00 89.17 ? 60 SER A CA 1 ATOM 464 C C . SER A 1 60 ? 46.478 35.213 -0.540 1.00 105.87 ? 60 SER A C 1 ATOM 465 O O . SER A 1 60 ? 47.352 35.694 -1.268 1.00 108.93 ? 60 SER A O 1 ATOM 466 C CB . SER A 1 60 ? 46.576 33.987 1.650 1.00 99.19 ? 60 SER A CB 1 ATOM 467 O OG . SER A 1 60 ? 45.460 33.192 1.267 1.00 98.32 ? 60 SER A OG 1 ATOM 468 N N . ASN A 1 61 ? 45.423 34.520 -0.981 1.00 109.65 ? 61 ASN A N 1 ATOM 469 C CA . ASN A 1 61 ? 44.458 35.026 -1.965 1.00 106.54 ? 61 ASN A CA 1 ATOM 470 C C . ASN A 1 61 ? 45.081 35.685 -3.173 1.00 104.03 ? 61 ASN A C 1 ATOM 471 O O . ASN A 1 61 ? 44.543 36.666 -3.686 1.00 122.18 ? 61 ASN A O 1 ATOM 472 C CB . ASN A 1 61 ? 43.413 35.913 -1.296 1.00 97.64 ? 61 ASN A CB 1 ATOM 473 C CG . ASN A 1 61 ? 42.716 35.179 -0.189 1.00 93.80 ? 61 ASN A CG 1 ATOM 474 O OD1 . ASN A 1 61 ? 42.048 34.148 -0.450 1.00 80.00 ? 61 ASN A OD1 1 ATOM 475 N ND2 . ASN A 1 61 ? 42.946 35.624 1.066 1.00 59.70 ? 61 ASN A ND2 1 ATOM 476 N N . ASP A 1 62 ? 46.225 35.157 -3.619 1.00 88.18 ? 62 ASP A N 1 ATOM 477 C CA . ASP A 1 62 ? 46.365 33.762 -4.114 1.00 76.80 ? 62 ASP A CA 1 ATOM 478 C C . ASP A 1 62 ? 45.126 33.150 -4.820 1.00 84.60 ? 62 ASP A C 1 ATOM 479 O O . ASP A 1 62 ? 44.360 32.368 -4.207 1.00 78.45 ? 62 ASP A O 1 ATOM 480 C CB . ASP A 1 62 ? 46.954 32.804 -3.030 1.00 56.88 ? 62 ASP A CB 1 ATOM 481 C CG . ASP A 1 62 ? 47.743 31.683 -3.636 1.00 56.44 ? 62 ASP A CG 1 ATOM 482 O OD1 . ASP A 1 62 ? 47.681 31.534 -4.871 1.00 64.26 ? 62 ASP A OD1 1 ATOM 483 O OD2 . ASP A 1 62 ? 48.379 30.911 -2.905 1.00 60.43 ? 62 ASP A OD2 1 ATOM 484 N N . PRO A 1 63 ? 44.942 33.483 -6.124 1.00 87.63 ? 63 PRO A N 1 ATOM 485 C CA . PRO A 1 63 ? 44.127 32.612 -6.990 1.00 71.34 ? 63 PRO A CA 1 ATOM 486 C C . PRO A 1 63 ? 44.363 31.059 -7.131 1.00 54.69 ? 63 PRO A C 1 ATOM 487 O O . PRO A 1 63 ? 43.400 30.401 -7.474 1.00 53.50 ? 63 PRO A O 1 ATOM 488 C CB . PRO A 1 63 ? 44.106 33.389 -8.316 1.00 77.34 ? 63 PRO A CB 1 ATOM 489 C CG . PRO A 1 63 ? 43.997 34.807 -7.813 1.00 78.01 ? 63 PRO A CG 1 ATOM 490 C CD . PRO A 1 63 ? 45.055 34.834 -6.726 1.00 77.66 ? 63 PRO A CD 1 ATOM 491 N N . ASN A 1 64 ? 45.530 30.470 -6.820 1.00 46.57 ? 64 ASN A N 1 ATOM 492 C CA . ASN A 1 64 ? 45.644 28.999 -6.538 1.00 45.45 ? 64 ASN A CA 1 ATOM 493 C C . ASN A 1 64 ? 44.574 28.474 -5.491 1.00 46.70 ? 64 ASN A C 1 ATOM 494 O O . ASN A 1 64 ? 44.158 27.329 -5.510 1.00 41.75 ? 64 ASN A O 1 ATOM 495 C CB . ASN A 1 64 ? 47.102 28.633 -6.065 1.00 55.38 ? 64 ASN A CB 1 ATOM 496 C CG . ASN A 1 64 ? 47.469 27.111 -6.233 1.00 75.98 ? 64 ASN A CG 1 ATOM 497 O OD1 . ASN A 1 64 ? 48.652 26.723 -6.482 1.00 70.28 ? 64 ASN A OD1 1 ATOM 498 N ND2 . ASN A 1 64 ? 46.466 26.248 -6.107 1.00 71.86 ? 64 ASN A ND2 1 ATOM 499 N N . ASP A 1 65 ? 44.149 29.307 -4.547 1.00 39.87 ? 65 ASP A N 1 ATOM 500 C CA . ASP A 1 65 ? 43.222 28.796 -3.527 1.00 37.74 ? 65 ASP A CA 1 ATOM 501 C C . ASP A 1 65 ? 41.820 28.617 -4.065 1.00 36.32 ? 65 ASP A C 1 ATOM 502 O O . ASP A 1 65 ? 40.989 27.989 -3.413 1.00 30.44 ? 65 ASP A O 1 ATOM 503 C CB . ASP A 1 65 ? 43.231 29.778 -2.373 1.00 34.00 ? 65 ASP A CB 1 ATOM 504 C CG . ASP A 1 65 ? 44.511 29.604 -1.534 1.00 36.58 ? 65 ASP A CG 1 ATOM 505 O OD1 . ASP A 1 65 ? 45.066 28.473 -1.515 1.00 39.34 ? 65 ASP A OD1 1 ATOM 506 O OD2 . ASP A 1 65 ? 44.921 30.569 -0.929 1.00 41.16 ? 65 ASP A OD2 1 ATOM 507 N N . PHE A 1 66 ? 41.575 29.210 -5.239 1.00 35.59 ? 66 PHE A N 1 ATOM 508 C CA . PHE A 1 66 ? 40.292 29.095 -5.962 1.00 36.62 ? 66 PHE A CA 1 ATOM 509 C C . PHE A 1 66 ? 40.245 28.064 -7.089 1.00 32.54 ? 66 PHE A C 1 ATOM 510 O O . PHE A 1 66 ? 39.211 27.913 -7.792 1.00 31.78 ? 66 PHE A O 1 ATOM 511 C CB . PHE A 1 66 ? 39.872 30.483 -6.483 1.00 41.37 ? 66 PHE A CB 1 ATOM 512 C CG . PHE A 1 66 ? 39.617 31.461 -5.392 1.00 47.55 ? 66 PHE A CG 1 ATOM 513 C CD1 . PHE A 1 66 ? 40.687 32.163 -4.805 1.00 54.95 ? 66 PHE A CD1 1 ATOM 514 C CD2 . PHE A 1 66 ? 38.307 31.660 -4.901 1.00 52.83 ? 66 PHE A CD2 1 ATOM 515 C CE1 . PHE A 1 66 ? 40.453 33.064 -3.755 1.00 55.08 ? 66 PHE A CE1 1 ATOM 516 C CE2 . PHE A 1 66 ? 38.069 32.587 -3.880 1.00 59.69 ? 66 PHE A CE2 1 ATOM 517 C CZ . PHE A 1 66 ? 39.149 33.273 -3.294 1.00 52.97 ? 66 PHE A CZ 1 ATOM 518 N N . ILE A 1 67 ? 41.307 27.287 -7.231 1.00 33.63 ? 67 ILE A N 1 ATOM 519 C CA . ILE A 1 67 ? 41.287 26.260 -8.273 1.00 33.10 ? 67 ILE A CA 1 ATOM 520 C C . ILE A 1 67 ? 41.138 24.931 -7.577 1.00 35.24 ? 67 ILE A C 1 ATOM 521 O O . ILE A 1 67 ? 42.054 24.531 -6.896 1.00 39.17 ? 67 ILE A O 1 ATOM 522 C CB . ILE A 1 67 ? 42.591 26.297 -9.143 1.00 34.59 ? 67 ILE A CB 1 ATOM 523 C CG1 . ILE A 1 67 ? 42.752 27.732 -9.706 1.00 33.81 ? 67 ILE A CG1 1 ATOM 524 C CG2 . ILE A 1 67 ? 42.436 25.220 -10.232 1.00 32.86 ? 67 ILE A CG2 1 ATOM 525 C CD1 . ILE A 1 67 ? 44.112 28.137 -10.361 1.00 30.50 ? 67 ILE A CD1 1 ATOM 526 N N . ILE A 1 68 ? 39.982 24.274 -7.676 1.00 30.53 ? 68 ILE A N 1 ATOM 527 C CA . ILE A 1 68 ? 39.728 23.118 -6.854 1.00 31.39 ? 68 ILE A CA 1 ATOM 528 C C . ILE A 1 68 ? 39.040 22.137 -7.789 1.00 35.72 ? 68 ILE A C 1 ATOM 529 O O . ILE A 1 68 ? 37.961 22.470 -8.392 1.00 30.19 ? 68 ILE A O 1 ATOM 530 C CB . ILE A 1 68 ? 38.811 23.451 -5.574 1.00 31.06 ? 68 ILE A CB 1 ATOM 531 C CG1 . ILE A 1 68 ? 39.475 24.561 -4.696 1.00 29.27 ? 68 ILE A CG1 1 ATOM 532 C CG2 . ILE A 1 68 ? 38.607 22.176 -4.709 1.00 26.90 ? 68 ILE A CG2 1 ATOM 533 C CD1 . ILE A 1 68 ? 38.597 25.048 -3.524 1.00 30.03 ? 68 ILE A CD1 1 ATOM 534 N N . GLY A 1 69 ? 39.647 20.948 -7.923 1.00 37.18 ? 69 GLY A N 1 ATOM 535 C CA . GLY A 1 69 ? 39.111 19.886 -8.822 1.00 34.24 ? 69 GLY A CA 1 ATOM 536 C C . GLY A 1 69 ? 38.627 20.465 -10.082 1.00 27.82 ? 69 GLY A C 1 ATOM 537 O O . GLY A 1 69 ? 39.335 21.310 -10.636 1.00 35.80 ? 69 GLY A O 1 ATOM 538 N N . ASP A 1 70 ? 37.401 20.108 -10.486 1.00 26.73 ? 70 ASP A N 1 ATOM 539 C CA . ASP A 1 70 ? 36.746 20.580 -11.719 1.00 34.32 ? 70 ASP A CA 1 ATOM 540 C C . ASP A 1 70 ? 35.799 21.705 -11.527 1.00 35.80 ? 70 ASP A C 1 ATOM 541 O O . ASP A 1 70 ? 35.137 22.123 -12.517 1.00 29.46 ? 70 ASP A O 1 ATOM 542 C CB . ASP A 1 70 ? 35.917 19.434 -12.413 1.00 35.12 ? 70 ASP A CB 1 ATOM 543 C CG . ASP A 1 70 ? 36.818 18.238 -12.702 1.00 53.51 ? 70 ASP A CG 1 ATOM 544 O OD1 . ASP A 1 70 ? 38.017 18.457 -13.095 1.00 47.18 ? 70 ASP A OD1 1 ATOM 545 O OD2 . ASP A 1 70 ? 36.388 17.114 -12.413 1.00 49.87 ? 70 ASP A OD2 1 ATOM 546 N N . PHE A 1 71 ? 35.676 22.220 -10.304 1.00 32.64 ? 71 PHE A N 1 ATOM 547 C CA . PHE A 1 71 ? 34.624 23.252 -10.122 1.00 28.02 ? 71 PHE A CA 1 ATOM 548 C C . PHE A 1 71 ? 34.918 24.433 -11.029 1.00 30.65 ? 71 PHE A C 1 ATOM 549 O O . PHE A 1 71 ? 36.000 24.992 -10.976 1.00 30.63 ? 71 PHE A O 1 ATOM 550 C CB . PHE A 1 71 ? 34.602 23.677 -8.642 1.00 27.79 ? 71 PHE A CB 1 ATOM 551 C CG . PHE A 1 71 ? 34.090 22.570 -7.721 1.00 30.32 ? 71 PHE A CG 1 ATOM 552 C CD1 . PHE A 1 71 ? 32.778 22.130 -7.811 1.00 31.92 ? 71 PHE A CD1 1 ATOM 553 C CD2 . PHE A 1 71 ? 34.956 21.954 -6.810 1.00 32.56 ? 71 PHE A CD2 1 ATOM 554 C CE1 . PHE A 1 71 ? 32.303 21.118 -6.984 1.00 31.59 ? 71 PHE A CE1 1 ATOM 555 C CE2 . PHE A 1 71 ? 34.481 20.961 -5.971 1.00 34.33 ? 71 PHE A CE2 1 ATOM 556 C CZ . PHE A 1 71 ? 33.175 20.520 -6.078 1.00 28.79 ? 71 PHE A CZ 1 ATOM 557 N N . GLU A 1 72 ? 33.939 24.890 -11.771 1.00 33.82 ? 72 GLU A N 1 ATOM 558 C CA . GLU A 1 72 ? 34.092 26.106 -12.563 1.00 39.26 ? 72 GLU A CA 1 ATOM 559 C C . GLU A 1 72 ? 34.204 27.374 -11.797 1.00 36.00 ? 72 GLU A C 1 ATOM 560 O O . GLU A 1 72 ? 34.709 28.371 -12.333 1.00 28.41 ? 72 GLU A O 1 ATOM 561 C CB . GLU A 1 72 ? 32.820 26.318 -13.395 1.00 42.38 ? 72 GLU A CB 1 ATOM 562 C CG . GLU A 1 72 ? 32.523 25.148 -14.276 1.00 68.30 ? 72 GLU A CG 1 ATOM 563 C CD . GLU A 1 72 ? 33.128 25.350 -15.635 1.00 78.53 ? 72 GLU A CD 1 ATOM 564 O OE1 . GLU A 1 72 ? 33.623 26.478 -15.888 1.00 89.20 ? 72 GLU A OE1 1 ATOM 565 O OE2 . GLU A 1 72 ? 33.099 24.401 -16.441 1.00 82.28 ? 72 GLU A OE2 1 ATOM 566 N N . SER A 1 73 ? 33.506 27.446 -10.667 1.00 34.70 ? 73 SER A N 1 ATOM 567 C CA . SER A 1 73 ? 33.585 28.670 -9.905 1.00 29.54 ? 73 SER A CA 1 ATOM 568 C C . SER A 1 73 ? 33.564 28.323 -8.432 1.00 29.60 ? 73 SER A C 1 ATOM 569 O O . SER A 1 73 ? 32.852 27.408 -8.030 1.00 28.84 ? 73 SER A O 1 ATOM 570 C CB . SER A 1 73 ? 32.499 29.662 -10.366 1.00 36.59 ? 73 SER A CB 1 ATOM 571 O OG . SER A 1 73 ? 31.386 29.622 -9.563 1.00 36.82 ? 73 SER A OG 1 ATOM 572 N N . ILE A 1 74 ? 34.373 29.026 -7.641 1.00 27.63 ? 74 ILE A N 1 ATOM 573 C CA . ILE A 1 74 ? 34.498 28.737 -6.219 1.00 30.55 ? 74 ILE A CA 1 ATOM 574 C C . ILE A 1 74 ? 34.237 30.088 -5.529 1.00 31.79 ? 74 ILE A C 1 ATOM 575 O O . ILE A 1 74 ? 34.833 31.085 -5.917 1.00 30.09 ? 74 ILE A O 1 ATOM 576 C CB . ILE A 1 74 ? 35.943 28.239 -5.882 1.00 29.87 ? 74 ILE A CB 1 ATOM 577 C CG1 . ILE A 1 74 ? 36.176 26.801 -6.425 1.00 31.90 ? 74 ILE A CG1 1 ATOM 578 C CG2 . ILE A 1 74 ? 36.209 28.307 -4.354 1.00 30.23 ? 74 ILE A CG2 1 ATOM 579 C CD1 . ILE A 1 74 ? 35.308 25.718 -5.727 1.00 32.16 ? 74 ILE A CD1 1 ATOM 580 N N . GLY A 1 75 ? 33.373 30.127 -4.511 1.00 30.85 ? 75 GLY A N 1 ATOM 581 C CA . GLY A 1 75 ? 33.325 31.299 -3.657 1.00 25.71 ? 75 GLY A CA 1 ATOM 582 C C . GLY A 1 75 ? 34.032 30.955 -2.350 1.00 25.19 ? 75 GLY A C 1 ATOM 583 O O . GLY A 1 75 ? 34.236 29.805 -2.051 1.00 24.41 ? 75 GLY A O 1 ATOM 584 N N . GLN A 1 76 ? 34.285 31.955 -1.507 1.00 24.62 ? 76 GLN A N 1 ATOM 585 C CA . GLN A 1 76 ? 35.038 31.722 -0.267 1.00 25.47 ? 76 GLN A CA 1 ATOM 586 C C . GLN A 1 76 ? 34.607 32.747 0.779 1.00 25.34 ? 76 GLN A C 1 ATOM 587 O O . GLN A 1 76 ? 34.410 33.916 0.467 1.00 24.42 ? 76 GLN A O 1 ATOM 588 C CB . GLN A 1 76 ? 36.524 31.788 -0.545 1.00 25.87 ? 76 GLN A CB 1 ATOM 589 C CG . GLN A 1 76 ? 37.388 31.339 0.634 1.00 29.94 ? 76 GLN A CG 1 ATOM 590 C CD . GLN A 1 76 ? 38.853 31.230 0.202 1.00 34.28 ? 76 GLN A CD 1 ATOM 591 O OE1 . GLN A 1 76 ? 39.520 32.238 0.192 1.00 32.21 ? 76 GLN A OE1 1 ATOM 592 N NE2 . GLN A 1 76 ? 39.281 30.071 -0.296 1.00 24.60 ? 76 GLN A NE2 1 ATOM 593 N N . ASN A 1 77 ? 34.415 32.297 1.997 1.00 22.38 ? 77 ASN A N 1 ATOM 594 C CA . ASN A 1 77 ? 34.229 33.220 3.123 1.00 20.27 ? 77 ASN A CA 1 ATOM 595 C C . ASN A 1 77 ? 35.409 32.935 4.073 1.00 24.10 ? 77 ASN A C 1 ATOM 596 O O . ASN A 1 77 ? 35.802 31.762 4.285 1.00 25.67 ? 77 ASN A O 1 ATOM 597 C CB . ASN A 1 77 ? 32.941 32.828 3.892 1.00 19.19 ? 77 ASN A CB 1 ATOM 598 C CG . ASN A 1 77 ? 31.682 33.394 3.258 1.00 26.72 ? 77 ASN A CG 1 ATOM 599 O OD1 . ASN A 1 77 ? 31.770 34.174 2.329 1.00 24.79 ? 77 ASN A OD1 1 ATOM 600 N ND2 . ASN A 1 77 ? 30.502 32.979 3.718 1.00 21.45 ? 77 ASN A ND2 1 ATOM 601 N N . LEU A 1 78 ? 35.955 33.995 4.656 1.00 24.19 ? 78 LEU A N 1 ATOM 602 C CA . LEU A 1 78 ? 37.087 33.879 5.595 1.00 26.67 ? 78 LEU A CA 1 ATOM 603 C C . LEU A 1 78 ? 36.728 34.521 6.944 1.00 29.00 ? 78 LEU A C 1 ATOM 604 O O . LEU A 1 78 ? 35.882 35.495 7.034 1.00 25.62 ? 78 LEU A O 1 ATOM 605 C CB . LEU A 1 78 ? 38.301 34.632 5.040 1.00 31.05 ? 78 LEU A CB 1 ATOM 606 C CG . LEU A 1 78 ? 38.906 34.249 3.701 1.00 36.24 ? 78 LEU A CG 1 ATOM 607 C CD1 . LEU A 1 78 ? 40.012 35.262 3.290 1.00 31.16 ? 78 LEU A CD1 1 ATOM 608 C CD2 . LEU A 1 78 ? 39.473 32.847 3.717 1.00 30.57 ? 78 LEU A CD2 1 ATOM 609 N N . ALA A 1 79 ? 37.284 33.979 8.039 1.00 28.91 ? 79 ALA A N 1 ATOM 610 C CA . ALA A 1 79 ? 37.014 34.608 9.349 1.00 25.20 ? 79 ALA A CA 1 ATOM 611 C C . ALA A 1 79 ? 38.293 34.495 10.201 1.00 32.63 ? 79 ALA A C 1 ATOM 612 O O . ALA A 1 79 ? 39.065 33.536 10.059 1.00 30.11 ? 79 ALA A O 1 ATOM 613 C CB . ALA A 1 79 ? 35.820 34.009 10.049 1.00 27.75 ? 79 ALA A CB 1 ATOM 614 N N . ASP A 1 80 ? 38.574 35.541 10.983 1.00 34.41 ? 80 ASP A N 1 ATOM 615 C CA . ASP A 1 80 ? 39.788 35.512 11.800 1.00 31.27 ? 80 ASP A CA 1 ATOM 616 C C . ASP A 1 80 ? 39.177 35.749 13.164 1.00 35.89 ? 80 ASP A C 1 ATOM 617 O O . ASP A 1 80 ? 38.732 36.834 13.410 1.00 35.82 ? 80 ASP A O 1 ATOM 618 C CB . ASP A 1 80 ? 40.761 36.644 11.417 1.00 33.01 ? 80 ASP A CB 1 ATOM 619 C CG . ASP A 1 80 ? 41.978 36.764 12.437 1.00 42.31 ? 80 ASP A CG 1 ATOM 620 O OD1 . ASP A 1 80 ? 42.155 35.855 13.315 1.00 43.44 ? 80 ASP A OD1 1 ATOM 621 O OD2 . ASP A 1 80 ? 42.788 37.722 12.290 1.00 35.95 ? 80 ASP A OD2 1 ATOM 622 N N . TYR A 1 81 ? 38.996 34.687 13.974 1.00 32.84 ? 81 TYR A N 1 ATOM 623 C CA . TYR A 1 81 ? 38.074 34.812 15.108 1.00 35.02 ? 81 TYR A CA 1 ATOM 624 C C . TYR A 1 81 ? 38.385 33.828 16.223 1.00 34.66 ? 81 TYR A C 1 ATOM 625 O O . TYR A 1 81 ? 38.863 32.678 15.959 1.00 35.57 ? 81 TYR A O 1 ATOM 626 C CB . TYR A 1 81 ? 36.643 34.490 14.692 1.00 38.98 ? 81 TYR A CB 1 ATOM 627 C CG . TYR A 1 81 ? 35.743 35.624 14.799 1.00 41.70 ? 81 TYR A CG 1 ATOM 628 C CD1 . TYR A 1 81 ? 35.733 36.572 13.769 1.00 46.58 ? 81 TYR A CD1 1 ATOM 629 C CD2 . TYR A 1 81 ? 34.881 35.766 15.879 1.00 42.93 ? 81 TYR A CD2 1 ATOM 630 C CE1 . TYR A 1 81 ? 34.892 37.629 13.782 1.00 47.66 ? 81 TYR A CE1 1 ATOM 631 C CE2 . TYR A 1 81 ? 34.041 36.873 15.928 1.00 47.98 ? 81 TYR A CE2 1 ATOM 632 C CZ . TYR A 1 81 ? 34.074 37.784 14.857 1.00 49.08 ? 81 TYR A CZ 1 ATOM 633 O OH . TYR A 1 81 ? 33.306 38.897 14.764 1.00 69.75 ? 81 TYR A OH 1 ATOM 634 N N . PRO A 1 82 ? 38.063 34.243 17.464 1.00 40.28 ? 82 PRO A N 1 ATOM 635 C CA . PRO A 1 82 ? 38.541 33.402 18.590 1.00 44.29 ? 82 PRO A CA 1 ATOM 636 C C . PRO A 1 82 ? 37.712 32.086 18.652 1.00 44.41 ? 82 PRO A C 1 ATOM 637 O O . PRO A 1 82 ? 38.233 31.048 19.031 1.00 46.67 ? 82 PRO A O 1 ATOM 638 C CB . PRO A 1 82 ? 38.371 34.317 19.826 1.00 45.08 ? 82 PRO A CB 1 ATOM 639 C CG . PRO A 1 82 ? 37.293 35.288 19.437 1.00 46.88 ? 82 PRO A CG 1 ATOM 640 C CD . PRO A 1 82 ? 37.419 35.494 17.927 1.00 44.52 ? 82 PRO A CD 1 ATOM 641 N N . THR A 1 83 ? 36.470 32.114 18.172 1.00 39.27 ? 83 THR A N 1 ATOM 642 C CA . THR A 1 83 ? 35.625 30.943 18.163 1.00 36.47 ? 83 THR A CA 1 ATOM 643 C C . THR A 1 83 ? 34.936 30.767 16.773 1.00 41.10 ? 83 THR A C 1 ATOM 644 O O . THR A 1 83 ? 34.708 31.732 16.036 1.00 32.48 ? 83 THR A O 1 ATOM 645 C CB . THR A 1 83 ? 34.569 31.010 19.281 1.00 36.80 ? 83 THR A CB 1 ATOM 646 O OG1 . THR A 1 83 ? 33.621 32.005 18.935 1.00 38.98 ? 83 THR A OG1 1 ATOM 647 C CG2 . THR A 1 83 ? 35.194 31.473 20.744 1.00 33.45 ? 83 THR A CG2 1 ATOM 648 N N . ILE A 1 84 ? 34.624 29.521 16.446 1.00 35.97 ? 84 ILE A N 1 ATOM 649 C CA . ILE A 1 84 ? 33.841 29.184 15.272 1.00 38.88 ? 84 ILE A CA 1 ATOM 650 C C . ILE A 1 84 ? 32.426 29.766 15.256 1.00 39.66 ? 84 ILE A C 1 ATOM 651 O O . ILE A 1 84 ? 32.015 30.422 14.292 1.00 33.20 ? 84 ILE A O 1 ATOM 652 C CB . ILE A 1 84 ? 33.947 27.702 15.123 1.00 37.33 ? 84 ILE A CB 1 ATOM 653 C CG1 . ILE A 1 84 ? 35.419 27.392 14.825 1.00 39.63 ? 84 ILE A CG1 1 ATOM 654 C CG2 . ILE A 1 84 ? 32.925 27.128 14.163 1.00 37.56 ? 84 ILE A CG2 1 ATOM 655 C CD1 . ILE A 1 84 ? 35.521 26.163 13.978 1.00 50.25 ? 84 ILE A CD1 1 ATOM 656 N N . GLU A 1 85 ? 31.728 29.667 16.365 1.00 39.29 ? 85 GLU A N 1 ATOM 657 C CA . GLU A 1 85 ? 30.389 30.251 16.395 1.00 38.21 ? 85 GLU A CA 1 ATOM 658 C C . GLU A 1 85 ? 30.410 31.759 16.287 1.00 39.97 ? 85 GLU A C 1 ATOM 659 O O . GLU A 1 85 ? 29.469 32.352 15.754 1.00 37.29 ? 85 GLU A O 1 ATOM 660 C CB . GLU A 1 85 ? 29.567 29.814 17.665 1.00 41.01 ? 85 GLU A CB 1 ATOM 661 C CG . GLU A 1 85 ? 29.293 28.289 17.781 1.00 49.53 ? 85 GLU A CG 1 ATOM 662 C CD . GLU A 1 85 ? 28.403 27.657 16.684 1.00 57.39 ? 85 GLU A CD 1 ATOM 663 O OE1 . GLU A 1 85 ? 27.347 28.216 16.326 1.00 68.25 ? 85 GLU A OE1 1 ATOM 664 O OE2 . GLU A 1 85 ? 28.733 26.561 16.175 1.00 53.78 ? 85 GLU A OE2 1 ATOM 665 N N . GLY A 1 86 ? 31.445 32.397 16.835 1.00 34.48 ? 86 GLY A N 1 ATOM 666 C CA . GLY A 1 86 ? 31.501 33.818 16.691 1.00 37.89 ? 86 GLY A CA 1 ATOM 667 C C . GLY A 1 86 ? 31.680 34.167 15.211 1.00 34.10 ? 86 GLY A C 1 ATOM 668 O O . GLY A 1 86 ? 31.058 35.098 14.719 1.00 38.80 ? 86 GLY A O 1 ATOM 669 N N . ALA A 1 87 ? 32.601 33.457 14.550 1.00 36.03 ? 87 ALA A N 1 ATOM 670 C CA . ALA A 1 87 ? 32.838 33.646 13.124 1.00 31.35 ? 87 ALA A CA 1 ATOM 671 C C . ALA A 1 87 ? 31.488 33.516 12.335 1.00 30.03 ? 87 ALA A C 1 ATOM 672 O O . ALA A 1 87 ? 31.134 34.428 11.560 1.00 32.92 ? 87 ALA A O 1 ATOM 673 C CB . ALA A 1 87 ? 33.847 32.644 12.651 1.00 29.82 ? 87 ALA A CB 1 ATOM 674 N N . MET A 1 88 ? 30.698 32.466 12.615 1.00 29.94 ? 88 MET A N 1 ATOM 675 C CA . MET A 1 88 ? 29.487 32.150 11.825 1.00 30.92 ? 88 MET A CA 1 ATOM 676 C C . MET A 1 88 ? 28.519 33.290 11.992 1.00 35.58 ? 88 MET A C 1 ATOM 677 O O . MET A 1 88 ? 27.892 33.747 11.025 1.00 34.52 ? 88 MET A O 1 ATOM 678 C CB . MET A 1 88 ? 28.795 30.843 12.248 1.00 28.31 ? 88 MET A CB 1 ATOM 679 C CG . MET A 1 88 ? 29.535 29.528 11.981 1.00 31.28 ? 88 MET A CG 1 ATOM 680 S SD . MET A 1 88 ? 30.094 29.489 10.243 1.00 32.94 ? 88 MET A SD 1 ATOM 681 C CE . MET A 1 88 ? 31.806 30.039 10.220 1.00 29.25 ? 88 MET A CE 1 ATOM 682 N N . LYS A 1 89 ? 28.429 33.783 13.226 1.00 37.58 ? 89 LYS A N 1 ATOM 683 C CA . LYS A 1 89 ? 27.485 34.807 13.579 1.00 36.29 ? 89 LYS A CA 1 ATOM 684 C C . LYS A 1 89 ? 27.909 36.157 12.981 1.00 35.61 ? 89 LYS A C 1 ATOM 685 O O . LYS A 1 89 ? 27.077 36.945 12.539 1.00 30.77 ? 89 LYS A O 1 ATOM 686 C CB . LYS A 1 89 ? 27.454 34.949 15.096 1.00 39.57 ? 89 LYS A CB 1 ATOM 687 C CG . LYS A 1 89 ? 26.142 35.535 15.561 1.00 58.92 ? 89 LYS A CG 1 ATOM 688 C CD . LYS A 1 89 ? 26.259 36.437 16.794 1.00 65.67 ? 89 LYS A CD 1 ATOM 689 C CE . LYS A 1 89 ? 24.839 36.690 17.318 1.00 69.67 ? 89 LYS A CE 1 ATOM 690 N NZ . LYS A 1 89 ? 24.751 37.080 18.751 1.00 83.52 ? 89 LYS A NZ 1 ATOM 691 N N . ASP A 1 90 ? 29.204 36.434 13.003 1.00 29.29 ? 90 ASP A N 1 ATOM 692 C CA . ASP A 1 90 ? 29.699 37.586 12.293 1.00 36.23 ? 90 ASP A CA 1 ATOM 693 C C . ASP A 1 90 ? 29.345 37.578 10.767 1.00 39.76 ? 90 ASP A C 1 ATOM 694 O O . ASP A 1 90 ? 28.904 38.598 10.183 1.00 35.91 ? 90 ASP A O 1 ATOM 695 C CB . ASP A 1 90 ? 31.196 37.655 12.465 1.00 36.72 ? 90 ASP A CB 1 ATOM 696 C CG . ASP A 1 90 ? 31.796 38.822 11.751 1.00 47.36 ? 90 ASP A CG 1 ATOM 697 O OD1 . ASP A 1 90 ? 31.377 39.938 12.034 1.00 58.13 ? 90 ASP A OD1 1 ATOM 698 O OD2 . ASP A 1 90 ? 32.696 38.663 10.904 1.00 54.85 ? 90 ASP A OD2 1 ATOM 699 N N . TRP A 1 91 ? 29.568 36.445 10.107 1.00 34.90 ? 91 TRP A N 1 ATOM 700 C CA . TRP A 1 91 ? 29.206 36.365 8.690 1.00 32.00 ? 91 TRP A CA 1 ATOM 701 C C . TRP A 1 91 ? 27.697 36.604 8.528 1.00 29.34 ? 91 TRP A C 1 ATOM 702 O O . TRP A 1 91 ? 27.251 37.386 7.669 1.00 27.23 ? 91 TRP A O 1 ATOM 703 C CB . TRP A 1 91 ? 29.544 34.962 8.137 1.00 29.15 ? 91 TRP A CB 1 ATOM 704 C CG . TRP A 1 91 ? 30.981 34.684 7.985 1.00 21.97 ? 91 TRP A CG 1 ATOM 705 C CD1 . TRP A 1 91 ? 32.011 35.531 8.166 1.00 25.48 ? 91 TRP A CD1 1 ATOM 706 C CD2 . TRP A 1 91 ? 31.538 33.409 7.625 1.00 22.93 ? 91 TRP A CD2 1 ATOM 707 N NE1 . TRP A 1 91 ? 33.245 34.851 7.951 1.00 24.52 ? 91 TRP A NE1 1 ATOM 708 C CE2 . TRP A 1 91 ? 32.929 33.543 7.598 1.00 23.52 ? 91 TRP A CE2 1 ATOM 709 C CE3 . TRP A 1 91 ? 30.958 32.148 7.277 1.00 21.49 ? 91 TRP A CE3 1 ATOM 710 C CZ2 . TRP A 1 91 ? 33.768 32.472 7.280 1.00 25.65 ? 91 TRP A CZ2 1 ATOM 711 C CZ3 . TRP A 1 91 ? 31.798 31.128 6.990 1.00 23.47 ? 91 TRP A CZ3 1 ATOM 712 C CH2 . TRP A 1 91 ? 33.174 31.272 7.008 1.00 23.76 ? 91 TRP A CH2 1 ATOM 713 N N . LEU A 1 92 ? 26.888 35.892 9.307 1.00 26.05 ? 92 LEU A N 1 ATOM 714 C CA . LEU A 1 92 ? 25.423 36.024 9.192 1.00 29.81 ? 92 LEU A CA 1 ATOM 715 C C . LEU A 1 92 ? 24.902 37.484 9.337 1.00 35.19 ? 92 LEU A C 1 ATOM 716 O O . LEU A 1 92 ? 24.078 37.962 8.551 1.00 32.63 ? 92 LEU A O 1 ATOM 717 C CB . LEU A 1 92 ? 24.742 35.070 10.240 1.00 30.21 ? 92 LEU A CB 1 ATOM 718 C CG . LEU A 1 92 ? 23.230 35.345 10.470 1.00 31.30 ? 92 LEU A CG 1 ATOM 719 C CD1 . LEU A 1 92 ? 22.426 35.052 9.211 1.00 32.01 ? 92 LEU A CD1 1 ATOM 720 C CD2 . LEU A 1 92 ? 22.692 34.486 11.631 1.00 32.98 ? 92 LEU A CD2 1 ATOM 721 N N . GLU A 1 93 ? 25.394 38.196 10.341 1.00 32.80 ? 93 GLU A N 1 ATOM 722 C CA . GLU A 1 93 ? 24.752 39.444 10.748 1.00 38.65 ? 93 GLU A CA 1 ATOM 723 C C . GLU A 1 93 ? 25.122 40.547 9.802 1.00 40.62 ? 93 GLU A C 1 ATOM 724 O O . GLU A 1 93 ? 24.615 41.645 9.938 1.00 34.05 ? 93 GLU A O 1 ATOM 725 C CB . GLU A 1 93 ? 25.206 39.870 12.127 1.00 40.35 ? 93 GLU A CB 1 ATOM 726 C CG . GLU A 1 93 ? 25.208 38.703 13.054 1.00 53.54 ? 93 GLU A CG 1 ATOM 727 C CD . GLU A 1 93 ? 24.316 38.916 14.201 1.00 55.61 ? 93 GLU A CD 1 ATOM 728 O OE1 . GLU A 1 93 ? 23.108 38.805 14.012 1.00 64.06 ? 93 GLU A OE1 1 ATOM 729 O OE2 . GLU A 1 93 ? 24.853 39.207 15.266 1.00 60.67 ? 93 GLU A OE2 1 ATOM 730 N N . GLU A 1 94 ? 25.975 40.255 8.837 1.00 33.66 ? 94 GLU A N 1 ATOM 731 C CA . GLU A 1 94 ? 26.086 41.138 7.726 1.00 32.24 ? 94 GLU A CA 1 ATOM 732 C C . GLU A 1 94 ? 24.785 41.339 7.011 1.00 34.21 ? 94 GLU A C 1 ATOM 733 O O . GLU A 1 94 ? 24.717 42.239 6.177 1.00 36.14 ? 94 GLU A O 1 ATOM 734 C CB . GLU A 1 94 ? 27.082 40.601 6.707 1.00 29.42 ? 94 GLU A CB 1 ATOM 735 C CG . GLU A 1 94 ? 28.484 40.528 7.233 1.00 31.84 ? 94 GLU A CG 1 ATOM 736 C CD . GLU A 1 94 ? 29.425 40.093 6.138 1.00 35.48 ? 94 GLU A CD 1 ATOM 737 O OE1 . GLU A 1 94 ? 28.990 39.786 4.984 1.00 31.07 ? 94 GLU A OE1 1 ATOM 738 O OE2 . GLU A 1 94 ? 30.602 40.038 6.433 1.00 36.69 ? 94 GLU A OE2 1 ATOM 739 N N . TYR A 1 95 ? 23.752 40.529 7.297 1.00 32.90 ? 95 TYR A N 1 ATOM 740 C CA . TYR A 1 95 ? 22.446 40.821 6.733 1.00 32.34 ? 95 TYR A CA 1 ATOM 741 C C . TYR A 1 95 ? 21.912 42.226 7.129 1.00 37.79 ? 95 TYR A C 1 ATOM 742 O O . TYR A 1 95 ? 21.071 42.773 6.422 1.00 34.76 ? 95 TYR A O 1 ATOM 743 C CB . TYR A 1 95 ? 21.407 39.732 7.120 1.00 32.47 ? 95 TYR A CB 1 ATOM 744 C CG . TYR A 1 95 ? 20.875 39.800 8.540 1.00 37.27 ? 95 TYR A CG 1 ATOM 745 C CD1 . TYR A 1 95 ? 19.968 40.800 8.932 1.00 38.09 ? 95 TYR A CD1 1 ATOM 746 C CD2 . TYR A 1 95 ? 21.238 38.829 9.479 1.00 38.89 ? 95 TYR A CD2 1 ATOM 747 C CE1 . TYR A 1 95 ? 19.446 40.822 10.223 1.00 38.86 ? 95 TYR A CE1 1 ATOM 748 C CE2 . TYR A 1 95 ? 20.765 38.864 10.772 1.00 43.45 ? 95 TYR A CE2 1 ATOM 749 C CZ . TYR A 1 95 ? 19.853 39.848 11.135 1.00 45.33 ? 95 TYR A CZ 1 ATOM 750 O OH . TYR A 1 95 ? 19.364 39.837 12.427 1.00 47.58 ? 95 TYR A OH 1 ATOM 751 N N . LYS A 1 96 ? 22.411 42.795 8.239 1.00 36.21 ? 96 LYS A N 1 ATOM 752 C CA . LYS A 1 96 ? 22.051 44.166 8.626 1.00 40.05 ? 96 LYS A CA 1 ATOM 753 C C . LYS A 1 96 ? 22.516 45.204 7.619 1.00 45.45 ? 96 LYS A C 1 ATOM 754 O O . LYS A 1 96 ? 22.024 46.298 7.650 1.00 46.02 ? 96 LYS A O 1 ATOM 755 C CB . LYS A 1 96 ? 22.613 44.497 9.977 1.00 37.33 ? 96 LYS A CB 1 ATOM 756 C CG . LYS A 1 96 ? 21.928 43.661 11.027 1.00 43.15 ? 96 LYS A CG 1 ATOM 757 C CD . LYS A 1 96 ? 22.716 43.540 12.311 1.00 46.80 ? 96 LYS A CD 1 ATOM 758 C CE . LYS A 1 96 ? 21.676 43.136 13.330 1.00 47.59 ? 96 LYS A CE 1 ATOM 759 N NZ . LYS A 1 96 ? 22.250 42.428 14.486 1.00 53.12 ? 96 LYS A NZ 1 ATOM 760 N N . ASN A 1 97 ? 23.457 44.860 6.739 1.00 39.91 ? 97 ASN A N 1 ATOM 761 C CA . ASN A 1 97 ? 24.043 45.817 5.857 1.00 37.81 ? 97 ASN A CA 1 ATOM 762 C C . ASN A 1 97 ? 23.464 45.668 4.502 1.00 40.35 ? 97 ASN A C 1 ATOM 763 O O . ASN A 1 97 ? 23.841 46.417 3.605 1.00 38.97 ? 97 ASN A O 1 ATOM 764 C CB . ASN A 1 97 ? 25.550 45.604 5.743 1.00 40.29 ? 97 ASN A CB 1 ATOM 765 C CG . ASN A 1 97 ? 26.265 45.628 7.092 1.00 46.95 ? 97 ASN A CG 1 ATOM 766 O OD1 . ASN A 1 97 ? 25.880 46.348 8.000 1.00 51.25 ? 97 ASN A OD1 1 ATOM 767 N ND2 . ASN A 1 97 ? 27.315 44.838 7.217 1.00 46.42 ? 97 ASN A ND2 1 ATOM 768 N N . TYR A 1 98 ? 22.609 44.667 4.293 1.00 34.48 ? 98 TYR A N 1 ATOM 769 C CA . TYR A 1 98 ? 22.256 44.309 2.892 1.00 36.42 ? 98 TYR A CA 1 ATOM 770 C C . TYR A 1 98 ? 20.860 44.783 2.536 1.00 35.88 ? 98 TYR A C 1 ATOM 771 O O . TYR A 1 98 ? 19.984 44.583 3.288 1.00 35.92 ? 98 TYR A O 1 ATOM 772 C CB . TYR A 1 98 ? 22.388 42.801 2.650 1.00 30.38 ? 98 TYR A CB 1 ATOM 773 C CG . TYR A 1 98 ? 22.072 42.434 1.243 1.00 31.18 ? 98 TYR A CG 1 ATOM 774 C CD1 . TYR A 1 98 ? 22.836 42.964 0.152 1.00 27.16 ? 98 TYR A CD1 1 ATOM 775 C CD2 . TYR A 1 98 ? 21.017 41.603 0.948 1.00 29.84 ? 98 TYR A CD2 1 ATOM 776 C CE1 . TYR A 1 98 ? 22.571 42.631 -1.131 1.00 24.02 ? 98 TYR A CE1 1 ATOM 777 C CE2 . TYR A 1 98 ? 20.735 41.250 -0.376 1.00 27.01 ? 98 TYR A CE2 1 ATOM 778 C CZ . TYR A 1 98 ? 21.519 41.778 -1.396 1.00 27.36 ? 98 TYR A CZ 1 ATOM 779 O OH . TYR A 1 98 ? 21.217 41.482 -2.688 1.00 25.41 ? 98 TYR A OH 1 ATOM 780 N N . ASN A 1 99 ? 20.684 45.487 1.417 1.00 37.30 ? 99 ASN A N 1 ATOM 781 C CA . ASN A 1 99 ? 19.387 45.797 0.875 1.00 30.57 ? 99 ASN A CA 1 ATOM 782 C C . ASN A 1 99 ? 19.106 45.015 -0.335 1.00 30.62 ? 99 ASN A C 1 ATOM 783 O O . ASN A 1 99 ? 19.596 45.325 -1.417 1.00 30.59 ? 99 ASN A O 1 ATOM 784 C CB . ASN A 1 99 ? 19.265 47.310 0.518 1.00 38.73 ? 99 ASN A CB 1 ATOM 785 C CG . ASN A 1 99 ? 17.874 47.719 -0.060 1.00 38.68 ? 99 ASN A CG 1 ATOM 786 O OD1 . ASN A 1 99 ? 17.121 46.937 -0.600 1.00 53.46 ? 99 ASN A OD1 1 ATOM 787 N ND2 . ASN A 1 99 ? 17.629 48.986 -0.062 1.00 54.40 ? 99 ASN A ND2 1 ATOM 788 N N . PHE A 1 100 ? 18.182 44.061 -0.200 1.00 29.03 ? 100 PHE A N 1 ATOM 789 C CA . PHE A 1 100 ? 17.880 43.178 -1.299 1.00 29.61 ? 100 PHE A CA 1 ATOM 790 C C . PHE A 1 100 ? 17.247 43.937 -2.491 1.00 30.59 ? 100 PHE A C 1 ATOM 791 O O . PHE A 1 100 ? 17.570 43.691 -3.690 1.00 28.25 ? 100 PHE A O 1 ATOM 792 C CB . PHE A 1 100 ? 16.956 42.104 -0.706 1.00 28.22 ? 100 PHE A CB 1 ATOM 793 C CG . PHE A 1 100 ? 16.573 41.032 -1.655 1.00 27.93 ? 100 PHE A CG 1 ATOM 794 C CD1 . PHE A 1 100 ? 15.612 41.272 -2.668 1.00 28.90 ? 100 PHE A CD1 1 ATOM 795 C CD2 . PHE A 1 100 ? 17.164 39.773 -1.567 1.00 26.95 ? 100 PHE A CD2 1 ATOM 796 C CE1 . PHE A 1 100 ? 15.272 40.278 -3.561 1.00 26.71 ? 100 PHE A CE1 1 ATOM 797 C CE2 . PHE A 1 100 ? 16.838 38.801 -2.504 1.00 26.63 ? 100 PHE A CE2 1 ATOM 798 C CZ . PHE A 1 100 ? 15.868 39.037 -3.457 1.00 30.07 ? 100 PHE A CZ 1 ATOM 799 N N . GLU A 1 101 ? 16.272 44.800 -2.191 1.00 31.15 ? 101 GLU A N 1 ATOM 800 C CA . GLU A 1 101 ? 15.522 45.530 -3.313 1.00 34.92 ? 101 GLU A CA 1 ATOM 801 C C . GLU A 1 101 ? 16.478 46.275 -4.252 1.00 30.96 ? 101 GLU A C 1 ATOM 802 O O . GLU A 1 101 ? 16.511 46.043 -5.501 1.00 34.81 ? 101 GLU A O 1 ATOM 803 C CB . GLU A 1 101 ? 14.615 46.570 -2.697 1.00 39.48 ? 101 GLU A CB 1 ATOM 804 C CG . GLU A 1 101 ? 13.408 45.989 -2.071 1.00 45.13 ? 101 GLU A CG 1 ATOM 805 C CD . GLU A 1 101 ? 12.348 47.062 -1.799 1.00 61.74 ? 101 GLU A CD 1 ATOM 806 O OE1 . GLU A 1 101 ? 12.045 47.860 -2.704 1.00 54.14 ? 101 GLU A OE1 1 ATOM 807 O OE2 . GLU A 1 101 ? 11.821 47.125 -0.670 1.00 79.60 ? 101 GLU A OE2 1 ATOM 808 N N . LYS A 1 102 ? 17.387 47.005 -3.623 1.00 31.61 ? 102 LYS A N 1 ATOM 809 C CA . LYS A 1 102 ? 18.433 47.696 -4.427 1.00 41.08 ? 102 LYS A CA 1 ATOM 810 C C . LYS A 1 102 ? 19.659 46.889 -4.666 1.00 43.99 ? 102 LYS A C 1 ATOM 811 O O . LYS A 1 102 ? 20.500 47.311 -5.424 1.00 34.82 ? 102 LYS A O 1 ATOM 812 C CB . LYS A 1 102 ? 18.804 49.030 -3.833 1.00 42.72 ? 102 LYS A CB 1 ATOM 813 C CG . LYS A 1 102 ? 17.550 49.807 -3.472 1.00 56.43 ? 102 LYS A CG 1 ATOM 814 C CD . LYS A 1 102 ? 17.404 51.125 -4.185 1.00 55.24 ? 102 LYS A CD 1 ATOM 815 C CE . LYS A 1 102 ? 17.216 52.173 -3.110 1.00 56.65 ? 102 LYS A CE 1 ATOM 816 N NZ . LYS A 1 102 ? 16.709 53.408 -3.738 1.00 56.69 ? 102 LYS A NZ 1 ATOM 817 N N . ASN A 1 103 ? 19.737 45.683 -4.085 1.00 38.65 ? 103 ASN A N 1 ATOM 818 C CA . ASN A 1 103 ? 20.940 44.939 -4.181 1.00 29.88 ? 103 ASN A CA 1 ATOM 819 C C . ASN A 1 103 ? 22.111 45.813 -3.742 1.00 32.77 ? 103 ASN A C 1 ATOM 820 O O . ASN A 1 103 ? 23.077 45.923 -4.455 1.00 31.41 ? 103 ASN A O 1 ATOM 821 C CB . ASN A 1 103 ? 21.207 44.403 -5.595 1.00 33.04 ? 103 ASN A CB 1 ATOM 822 C CG . ASN A 1 103 ? 22.351 43.399 -5.605 1.00 32.80 ? 103 ASN A CG 1 ATOM 823 O OD1 . ASN A 1 103 ? 22.584 42.730 -4.606 1.00 33.73 ? 103 ASN A OD1 1 ATOM 824 N ND2 . ASN A 1 103 ? 22.989 43.224 -6.721 1.00 32.50 ? 103 ASN A ND2 1 ATOM 825 N N . GLN A 1 104 ? 22.041 46.423 -2.578 1.00 30.68 ? 104 GLN A N 1 ATOM 826 C CA . GLN A 1 104 ? 23.091 47.322 -2.232 1.00 35.47 ? 104 GLN A CA 1 ATOM 827 C C . GLN A 1 104 ? 23.518 47.041 -0.859 1.00 38.59 ? 104 GLN A C 1 ATOM 828 O O . GLN A 1 104 ? 22.724 46.612 -0.029 1.00 37.47 ? 104 GLN A O 1 ATOM 829 C CB . GLN A 1 104 ? 22.570 48.761 -2.160 1.00 40.87 ? 104 GLN A CB 1 ATOM 830 C CG . GLN A 1 104 ? 22.767 49.487 -3.466 1.00 43.01 ? 104 GLN A CG 1 ATOM 831 C CD . GLN A 1 104 ? 21.976 50.793 -3.497 1.00 54.24 ? 104 GLN A CD 1 ATOM 832 O OE1 . GLN A 1 104 ? 21.665 51.388 -2.446 1.00 48.14 ? 104 GLN A OE1 1 ATOM 833 N NE2 . GLN A 1 104 ? 21.644 51.247 -4.704 1.00 49.64 ? 104 GLN A NE2 1 ATOM 834 N N . CYS A 1 105 ? 24.760 47.378 -0.587 1.00 36.44 ? 105 CYS A N 1 ATOM 835 C CA . CYS A 1 105 ? 25.358 47.034 0.656 1.00 39.69 ? 105 CYS A CA 1 ATOM 836 C C . CYS A 1 105 ? 25.941 48.299 1.280 1.00 45.35 ? 105 CYS A C 1 ATOM 837 O O . CYS A 1 105 ? 26.713 49.008 0.661 1.00 49.14 ? 105 CYS A O 1 ATOM 838 C CB . CYS A 1 105 ? 26.454 45.964 0.422 1.00 35.87 ? 105 CYS A CB 1 ATOM 839 S SG . CYS A 1 105 ? 27.235 45.469 1.970 1.00 47.61 ? 105 CYS A SG 1 ATOM 840 N N . ASN A 1 106 ? 25.613 48.497 2.536 1.00 44.20 ? 106 ASN A N 1 ATOM 841 C CA . ASN A 1 106 ? 26.290 49.363 3.442 1.00 49.91 ? 106 ASN A CA 1 ATOM 842 C C . ASN A 1 106 ? 27.395 48.735 4.331 1.00 50.30 ? 106 ASN A C 1 ATOM 843 O O . ASN A 1 106 ? 27.118 48.304 5.438 1.00 54.19 ? 106 ASN A O 1 ATOM 844 C CB . ASN A 1 106 ? 25.218 50.012 4.328 1.00 52.83 ? 106 ASN A CB 1 ATOM 845 C CG . ASN A 1 106 ? 25.756 51.181 5.110 1.00 68.04 ? 106 ASN A CG 1 ATOM 846 O OD1 . ASN A 1 106 ? 26.402 52.065 4.556 1.00 77.05 ? 106 ASN A OD1 1 ATOM 847 N ND2 . ASN A 1 106 ? 25.535 51.174 6.410 1.00 70.56 ? 106 ASN A ND2 1 ATOM 848 N N . GLY A 1 107 ? 28.653 48.755 3.875 1.00 47.38 ? 107 GLY A N 1 ATOM 849 C CA . GLY A 1 107 ? 29.724 47.995 4.545 1.00 45.47 ? 107 GLY A CA 1 ATOM 850 C C . GLY A 1 107 ? 29.959 46.660 3.836 1.00 40.04 ? 107 GLY A C 1 ATOM 851 O O . GLY A 1 107 ? 30.054 46.597 2.630 1.00 43.04 ? 107 GLY A O 1 ATOM 852 N N . ASP A 1 108 ? 30.027 45.590 4.595 1.00 43.33 ? 108 ASP A N 1 ATOM 853 C CA . ASP A 1 108 ? 30.340 44.283 4.016 1.00 40.20 ? 108 ASP A CA 1 ATOM 854 C C . ASP A 1 108 ? 29.159 43.351 4.170 1.00 33.86 ? 108 ASP A C 1 ATOM 855 O O . ASP A 1 108 ? 28.670 43.165 5.267 1.00 34.70 ? 108 ASP A O 1 ATOM 856 C CB . ASP A 1 108 ? 31.575 43.664 4.678 1.00 49.45 ? 108 ASP A CB 1 ATOM 857 C CG . ASP A 1 108 ? 32.150 42.445 3.860 1.00 60.02 ? 108 ASP A CG 1 ATOM 858 O OD1 . ASP A 1 108 ? 31.874 42.250 2.644 1.00 59.69 ? 108 ASP A OD1 1 ATOM 859 O OD2 . ASP A 1 108 ? 32.907 41.670 4.447 1.00 62.76 ? 108 ASP A OD2 1 ATOM 860 N N . CYS A 1 109 ? 28.737 42.811 3.029 1.00 31.12 ? 109 CYS A N 1 ATOM 861 C CA . CYS A 1 109 ? 27.668 41.857 2.799 1.00 34.63 ? 109 CYS A CA 1 ATOM 862 C C . CYS A 1 109 ? 28.153 40.569 2.154 1.00 30.45 ? 109 CYS A C 1 ATOM 863 O O . CYS A 1 109 ? 27.339 39.695 1.974 1.00 28.70 ? 109 CYS A O 1 ATOM 864 C CB . CYS A 1 109 ? 26.623 42.493 1.821 1.00 32.32 ? 109 CYS A CB 1 ATOM 865 S SG . CYS A 1 109 ? 25.942 43.935 2.667 1.00 43.87 ? 109 CYS A SG 1 ATOM 866 N N . LYS A 1 110 ? 29.426 40.457 1.772 1.00 28.76 ? 110 LYS A N 1 ATOM 867 C CA . LYS A 1 110 ? 29.841 39.314 0.930 1.00 33.12 ? 110 LYS A CA 1 ATOM 868 C C . LYS A 1 110 ? 29.659 37.978 1.656 1.00 27.56 ? 110 LYS A C 1 ATOM 869 O O . LYS A 1 110 ? 29.327 37.017 1.028 1.00 24.81 ? 110 LYS A O 1 ATOM 870 C CB . LYS A 1 110 ? 31.316 39.270 0.582 1.00 33.72 ? 110 LYS A CB 1 ATOM 871 C CG . LYS A 1 110 ? 32.025 40.406 -0.090 1.00 54.30 ? 110 LYS A CG 1 ATOM 872 C CD . LYS A 1 110 ? 33.537 40.078 0.117 1.00 61.77 ? 110 LYS A CD 1 ATOM 873 C CE . LYS A 1 110 ? 34.473 41.118 -0.498 1.00 74.09 ? 110 LYS A CE 1 ATOM 874 N NZ . LYS A 1 110 ? 33.652 42.156 -1.198 1.00 74.27 ? 110 LYS A NZ 1 ATOM 875 N N . ASN A 1 111 ? 29.969 37.904 2.947 1.00 23.21 ? 111 ASN A N 1 ATOM 876 C CA . ASN A 1 111 ? 29.872 36.606 3.631 1.00 23.56 ? 111 ASN A CA 1 ATOM 877 C C . ASN A 1 111 ? 28.405 36.183 3.736 1.00 23.06 ? 111 ASN A C 1 ATOM 878 O O . ASN A 1 111 ? 28.074 35.078 3.439 1.00 23.05 ? 111 ASN A O 1 ATOM 879 C CB . ASN A 1 111 ? 30.498 36.755 5.041 1.00 27.01 ? 111 ASN A CB 1 ATOM 880 C CG . ASN A 1 111 ? 31.977 37.092 4.950 1.00 30.51 ? 111 ASN A CG 1 ATOM 881 O OD1 . ASN A 1 111 ? 32.699 36.426 4.235 1.00 32.52 ? 111 ASN A OD1 1 ATOM 882 N ND2 . ASN A 1 111 ? 32.404 38.193 5.576 1.00 29.38 ? 111 ASN A ND2 1 ATOM 883 N N . TYR A 1 112 ? 27.522 37.074 4.219 1.00 26.13 ? 112 TYR A N 1 ATOM 884 C CA . TYR A 1 112 ? 26.080 36.794 4.250 1.00 21.52 ? 112 TYR A CA 1 ATOM 885 C C . TYR A 1 112 ? 25.499 36.375 2.888 1.00 23.72 ? 112 TYR A C 1 ATOM 886 O O . TYR A 1 112 ? 24.811 35.325 2.747 1.00 24.82 ? 112 TYR A O 1 ATOM 887 C CB . TYR A 1 112 ? 25.321 38.028 4.830 1.00 23.33 ? 112 TYR A CB 1 ATOM 888 C CG . TYR A 1 112 ? 23.830 37.852 4.621 1.00 22.91 ? 112 TYR A CG 1 ATOM 889 C CD1 . TYR A 1 112 ? 23.124 36.910 5.342 1.00 25.46 ? 112 TYR A CD1 1 ATOM 890 C CD2 . TYR A 1 112 ? 23.162 38.556 3.596 1.00 25.56 ? 112 TYR A CD2 1 ATOM 891 C CE1 . TYR A 1 112 ? 21.752 36.711 5.105 1.00 26.82 ? 112 TYR A CE1 1 ATOM 892 C CE2 . TYR A 1 112 ? 21.794 38.382 3.369 1.00 28.02 ? 112 TYR A CE2 1 ATOM 893 C CZ . TYR A 1 112 ? 21.120 37.429 4.114 1.00 28.94 ? 112 TYR A CZ 1 ATOM 894 O OH . TYR A 1 112 ? 19.805 37.183 3.916 1.00 30.82 ? 112 TYR A OH 1 ATOM 895 N N . LYS A 1 113 ? 25.791 37.153 1.817 1.00 25.20 ? 113 LYS A N 1 ATOM 896 C CA . LYS A 1 113 ? 25.264 36.819 0.516 1.00 24.93 ? 113 LYS A CA 1 ATOM 897 C C . LYS A 1 113 ? 25.690 35.436 0.000 1.00 24.67 ? 113 LYS A C 1 ATOM 898 O O . LYS A 1 113 ? 24.885 34.724 -0.584 1.00 23.21 ? 113 LYS A O 1 ATOM 899 C CB . LYS A 1 113 ? 25.605 37.891 -0.582 1.00 24.48 ? 113 LYS A CB 1 ATOM 900 C CG . LYS A 1 113 ? 24.952 39.264 -0.375 1.00 32.90 ? 113 LYS A CG 1 ATOM 901 C CD . LYS A 1 113 ? 25.412 40.246 -1.485 1.00 32.74 ? 113 LYS A CD 1 ATOM 902 C CE . LYS A 1 113 ? 24.707 39.945 -2.806 1.00 32.64 ? 113 LYS A CE 1 ATOM 903 N NZ . LYS A 1 113 ? 25.064 41.025 -3.827 1.00 35.14 ? 113 LYS A NZ 1 ATOM 904 N N . GLN A 1 114 ? 26.946 35.080 0.217 1.00 23.98 ? 114 GLN A N 1 ATOM 905 C CA . GLN A 1 114 ? 27.427 33.783 -0.156 1.00 24.95 ? 114 GLN A CA 1 ATOM 906 C C . GLN A 1 114 ? 26.700 32.684 0.658 1.00 26.12 ? 114 GLN A C 1 ATOM 907 O O . GLN A 1 114 ? 26.417 31.616 0.104 1.00 23.75 ? 114 GLN A O 1 ATOM 908 C CB . GLN A 1 114 ? 28.941 33.680 0.099 1.00 24.28 ? 114 GLN A CB 1 ATOM 909 C CG . GLN A 1 114 ? 29.475 32.295 -0.236 1.00 21.11 ? 114 GLN A CG 1 ATOM 910 C CD . GLN A 1 114 ? 29.331 31.975 -1.771 1.00 23.40 ? 114 GLN A CD 1 ATOM 911 O OE1 . GLN A 1 114 ? 30.195 32.357 -2.554 1.00 22.92 ? 114 GLN A OE1 1 ATOM 912 N NE2 . GLN A 1 114 ? 28.306 31.220 -2.162 1.00 21.55 ? 114 GLN A NE2 1 ATOM 913 N N . MET A 1 115 ? 26.438 32.937 1.959 1.00 25.03 ? 115 MET A N 1 ATOM 914 C CA . MET A 1 115 ? 25.747 31.890 2.773 1.00 22.88 ? 115 MET A CA 1 ATOM 915 C C . MET A 1 115 ? 24.336 31.638 2.285 1.00 24.16 ? 115 MET A C 1 ATOM 916 O O . MET A 1 115 ? 23.883 30.539 2.372 1.00 21.68 ? 115 MET A O 1 ATOM 917 C CB . MET A 1 115 ? 25.659 32.285 4.265 1.00 22.75 ? 115 MET A CB 1 ATOM 918 C CG . MET A 1 115 ? 27.059 32.228 4.973 1.00 28.89 ? 115 MET A CG 1 ATOM 919 S SD . MET A 1 115 ? 26.865 32.725 6.724 1.00 32.89 ? 115 MET A SD 1 ATOM 920 C CE . MET A 1 115 ? 26.090 31.315 7.339 1.00 33.86 ? 115 MET A CE 1 ATOM 921 N N . VAL A 1 116 ? 23.641 32.642 1.744 1.00 23.99 ? 116 VAL A N 1 ATOM 922 C CA . VAL A 1 116 ? 22.265 32.426 1.281 1.00 23.31 ? 116 VAL A CA 1 ATOM 923 C C . VAL A 1 116 ? 22.148 32.347 -0.256 1.00 26.90 ? 116 VAL A C 1 ATOM 924 O O . VAL A 1 116 ? 21.071 32.454 -0.796 1.00 25.37 ? 116 VAL A O 1 ATOM 925 C CB . VAL A 1 116 ? 21.265 33.479 1.825 1.00 23.81 ? 116 VAL A CB 1 ATOM 926 C CG1 . VAL A 1 116 ? 21.094 33.354 3.362 1.00 20.07 ? 116 VAL A CG1 1 ATOM 927 C CG2 . VAL A 1 116 ? 21.609 34.925 1.392 1.00 19.72 ? 116 VAL A CG2 1 ATOM 928 N N . TRP A 1 117 ? 23.257 32.012 -0.902 1.00 25.53 ? 117 TRP A N 1 ATOM 929 C CA . TRP A 1 117 ? 23.340 32.036 -2.355 1.00 25.07 ? 117 TRP A CA 1 ATOM 930 C C . TRP A 1 117 ? 22.574 30.874 -2.871 1.00 26.48 ? 117 TRP A C 1 ATOM 931 O O . TRP A 1 117 ? 22.840 29.691 -2.528 1.00 25.39 ? 117 TRP A O 1 ATOM 932 C CB . TRP A 1 117 ? 24.808 32.046 -2.860 1.00 22.89 ? 117 TRP A CB 1 ATOM 933 C CG . TRP A 1 117 ? 24.796 32.438 -4.313 1.00 22.85 ? 117 TRP A CG 1 ATOM 934 C CD1 . TRP A 1 117 ? 24.852 31.593 -5.413 1.00 23.91 ? 117 TRP A CD1 1 ATOM 935 C CD2 . TRP A 1 117 ? 24.697 33.772 -4.813 1.00 22.74 ? 117 TRP A CD2 1 ATOM 936 N NE1 . TRP A 1 117 ? 24.768 32.360 -6.605 1.00 27.56 ? 117 TRP A NE1 1 ATOM 937 C CE2 . TRP A 1 117 ? 24.673 33.694 -6.250 1.00 28.09 ? 117 TRP A CE2 1 ATOM 938 C CE3 . TRP A 1 117 ? 24.601 35.041 -4.188 1.00 25.36 ? 117 TRP A CE3 1 ATOM 939 C CZ2 . TRP A 1 117 ? 24.567 34.847 -7.071 1.00 23.74 ? 117 TRP A CZ2 1 ATOM 940 C CZ3 . TRP A 1 117 ? 24.538 36.191 -5.025 1.00 26.63 ? 117 TRP A CZ3 1 ATOM 941 C CH2 . TRP A 1 117 ? 24.517 36.048 -6.436 1.00 25.40 ? 117 TRP A CH2 1 ATOM 942 N N . ASN A 1 118 ? 21.567 31.167 -3.677 1.00 26.72 ? 118 ASN A N 1 ATOM 943 C CA . ASN A 1 118 ? 20.619 30.076 -4.042 1.00 30.02 ? 118 ASN A CA 1 ATOM 944 C C . ASN A 1 118 ? 21.184 28.957 -4.937 1.00 31.44 ? 118 ASN A C 1 ATOM 945 O O . ASN A 1 118 ? 20.772 27.796 -4.788 1.00 33.95 ? 118 ASN A O 1 ATOM 946 C CB . ASN A 1 118 ? 19.337 30.658 -4.661 1.00 30.75 ? 118 ASN A CB 1 ATOM 947 C CG . ASN A 1 118 ? 19.575 31.200 -6.066 1.00 35.61 ? 118 ASN A CG 1 ATOM 948 O OD1 . ASN A 1 118 ? 20.709 31.625 -6.435 1.00 35.51 ? 118 ASN A OD1 1 ATOM 949 N ND2 . ASN A 1 118 ? 18.504 31.258 -6.840 1.00 38.11 ? 118 ASN A ND2 1 ATOM 950 N N . THR A 1 119 ? 22.128 29.252 -5.846 1.00 27.05 ? 119 THR A N 1 ATOM 951 C CA . THR A 1 119 ? 22.650 28.140 -6.720 1.00 26.61 ? 119 THR A CA 1 ATOM 952 C C . THR A 1 119 ? 23.803 27.361 -6.092 1.00 34.99 ? 119 THR A C 1 ATOM 953 O O . THR A 1 119 ? 24.221 26.329 -6.601 1.00 31.89 ? 119 THR A O 1 ATOM 954 C CB . THR A 1 119 ? 23.228 28.647 -8.053 1.00 29.81 ? 119 THR A CB 1 ATOM 955 O OG1 . THR A 1 119 ? 24.089 29.748 -7.812 1.00 32.37 ? 119 THR A OG1 1 ATOM 956 C CG2 . THR A 1 119 ? 22.051 29.190 -9.026 1.00 28.36 ? 119 THR A CG2 1 ATOM 957 N N . THR A 1 120 ? 24.357 27.858 -4.983 1.00 31.95 ? 120 THR A N 1 ATOM 958 C CA . THR A 1 120 ? 25.428 27.118 -4.325 1.00 29.67 ? 120 THR A CA 1 ATOM 959 C C . THR A 1 120 ? 24.943 25.730 -3.859 1.00 28.77 ? 120 THR A C 1 ATOM 960 O O . THR A 1 120 ? 23.923 25.607 -3.182 1.00 30.40 ? 120 THR A O 1 ATOM 961 C CB . THR A 1 120 ? 25.975 27.937 -3.098 1.00 30.89 ? 120 THR A CB 1 ATOM 962 O OG1 . THR A 1 120 ? 26.504 29.189 -3.562 1.00 33.49 ? 120 THR A OG1 1 ATOM 963 C CG2 . THR A 1 120 ? 27.035 27.101 -2.374 1.00 24.09 ? 120 THR A CG2 1 ATOM 964 N N . GLU A 1 121 ? 25.756 24.705 -4.097 1.00 31.38 ? 121 GLU A N 1 ATOM 965 C CA . GLU A 1 121 ? 25.343 23.339 -3.937 1.00 33.64 ? 121 GLU A CA 1 ATOM 966 C C . GLU A 1 121 ? 26.281 22.633 -2.968 1.00 28.50 ? 121 GLU A C 1 ATOM 967 O O . GLU A 1 121 ? 25.861 21.757 -2.206 1.00 36.04 ? 121 GLU A O 1 ATOM 968 C CB . GLU A 1 121 ? 25.484 22.662 -5.302 1.00 36.82 ? 121 GLU A CB 1 ATOM 969 C CG . GLU A 1 121 ? 25.140 21.202 -5.187 1.00 62.28 ? 121 GLU A CG 1 ATOM 970 C CD . GLU A 1 121 ? 24.166 20.777 -6.253 1.00 69.43 ? 121 GLU A CD 1 ATOM 971 O OE1 . GLU A 1 121 ? 24.165 21.419 -7.307 1.00 60.68 ? 121 GLU A OE1 1 ATOM 972 O OE2 . GLU A 1 121 ? 23.402 19.827 -6.024 1.00 78.67 ? 121 GLU A OE2 1 ATOM 973 N N . GLU A 1 122 ? 27.565 22.912 -3.111 1.00 26.75 ? 122 GLU A N 1 ATOM 974 C CA . GLU A 1 122 ? 28.617 22.214 -2.370 1.00 27.42 ? 122 GLU A CA 1 ATOM 975 C C . GLU A 1 122 ? 29.262 23.221 -1.429 1.00 25.69 ? 122 GLU A C 1 ATOM 976 O O . GLU A 1 122 ? 29.566 24.383 -1.818 1.00 25.61 ? 122 GLU A O 1 ATOM 977 C CB . GLU A 1 122 ? 29.691 21.670 -3.300 1.00 28.29 ? 122 GLU A CB 1 ATOM 978 C CG . GLU A 1 122 ? 29.086 21.005 -4.502 1.00 47.59 ? 122 GLU A CG 1 ATOM 979 C CD . GLU A 1 122 ? 29.304 19.543 -4.501 1.00 55.77 ? 122 GLU A CD 1 ATOM 980 O OE1 . GLU A 1 122 ? 29.236 18.889 -3.435 1.00 68.82 ? 122 GLU A OE1 1 ATOM 981 O OE2 . GLU A 1 122 ? 29.583 19.067 -5.598 1.00 73.50 ? 122 GLU A OE2 1 ATOM 982 N N . ILE A 1 123 ? 29.529 22.762 -0.229 1.00 27.61 ? 123 ILE A N 1 ATOM 983 C CA . ILE A 1 123 ? 30.314 23.553 0.722 1.00 26.28 ? 123 ILE A CA 1 ATOM 984 C C . ILE A 1 123 ? 31.428 22.660 1.319 1.00 28.14 ? 123 ILE A C 1 ATOM 985 O O . ILE A 1 123 ? 31.211 21.491 1.592 1.00 27.79 ? 123 ILE A O 1 ATOM 986 C CB . ILE A 1 123 ? 29.397 24.121 1.792 1.00 24.01 ? 123 ILE A CB 1 ATOM 987 C CG1 . ILE A 1 123 ? 30.206 24.976 2.796 1.00 28.04 ? 123 ILE A CG1 1 ATOM 988 C CG2 . ILE A 1 123 ? 28.732 22.989 2.554 1.00 26.36 ? 123 ILE A CG2 1 ATOM 989 C CD1 . ILE A 1 123 ? 29.328 25.648 3.856 1.00 26.10 ? 123 ILE A CD1 1 ATOM 990 N N . GLY A 1 124 ? 32.612 23.174 1.533 1.00 27.10 ? 124 GLY A N 1 ATOM 991 C CA . GLY A 1 124 ? 33.473 22.527 2.518 1.00 31.12 ? 124 GLY A CA 1 ATOM 992 C C . GLY A 1 124 ? 34.412 23.540 3.172 1.00 34.31 ? 124 GLY A C 1 ATOM 993 O O . GLY A 1 124 ? 34.914 24.431 2.491 1.00 29.92 ? 124 GLY A O 1 ATOM 994 N N . CYS A 1 125 ? 34.649 23.363 4.478 1.00 28.43 ? 125 CYS A N 1 ATOM 995 C CA . CYS A 1 125 ? 35.248 24.316 5.348 1.00 29.62 ? 125 CYS A CA 1 ATOM 996 C C . CYS A 1 125 ? 36.386 23.638 6.105 1.00 36.26 ? 125 CYS A C 1 ATOM 997 O O . CYS A 1 125 ? 36.353 22.407 6.351 1.00 30.35 ? 125 CYS A O 1 ATOM 998 C CB . CYS A 1 125 ? 34.186 24.832 6.365 1.00 30.00 ? 125 CYS A CB 1 ATOM 999 S SG . CYS A 1 125 ? 32.805 25.664 5.471 1.00 35.07 ? 125 CYS A SG 1 ATOM 1000 N N . GLY A 1 126 ? 37.352 24.460 6.521 1.00 31.01 ? 126 GLY A N 1 ATOM 1001 C CA . GLY A 1 126 ? 38.615 24.019 7.062 1.00 29.76 ? 126 GLY A CA 1 ATOM 1002 C C . GLY A 1 126 ? 39.012 25.171 7.971 1.00 36.35 ? 126 GLY A C 1 ATOM 1003 O O . GLY A 1 126 ? 38.721 26.385 7.683 1.00 30.64 ? 126 GLY A O 1 ATOM 1004 N N . TYR A 1 127 ? 39.649 24.835 9.089 1.00 27.49 ? 127 TYR A N 1 ATOM 1005 C CA . TYR A 1 127 ? 40.091 25.898 9.991 1.00 32.11 ? 127 TYR A CA 1 ATOM 1006 C C . TYR A 1 127 ? 41.365 25.522 10.758 1.00 34.28 ? 127 TYR A C 1 ATOM 1007 O O . TYR A 1 127 ? 41.667 24.358 10.849 1.00 32.70 ? 127 TYR A O 1 ATOM 1008 C CB . TYR A 1 127 ? 39.003 26.317 10.916 1.00 23.81 ? 127 TYR A CB 1 ATOM 1009 C CG . TYR A 1 127 ? 38.531 25.259 11.837 1.00 33.15 ? 127 TYR A CG 1 ATOM 1010 C CD1 . TYR A 1 127 ? 39.149 25.053 13.142 1.00 36.77 ? 127 TYR A CD1 1 ATOM 1011 C CD2 . TYR A 1 127 ? 37.462 24.417 11.455 1.00 33.78 ? 127 TYR A CD2 1 ATOM 1012 C CE1 . TYR A 1 127 ? 38.659 24.037 14.022 1.00 35.96 ? 127 TYR A CE1 1 ATOM 1013 C CE2 . TYR A 1 127 ? 36.994 23.408 12.292 1.00 40.97 ? 127 TYR A CE2 1 ATOM 1014 C CZ . TYR A 1 127 ? 37.582 23.195 13.569 1.00 37.34 ? 127 TYR A CZ 1 ATOM 1015 O OH . TYR A 1 127 ? 36.993 22.179 14.307 1.00 37.64 ? 127 TYR A OH 1 ATOM 1016 N N . GLU A 1 128 ? 42.127 26.486 11.258 1.00 33.30 ? 128 GLU A N 1 ATOM 1017 C CA . GLU A 1 128 ? 43.355 26.110 11.914 1.00 31.12 ? 128 GLU A CA 1 ATOM 1018 C C . GLU A 1 128 ? 43.499 27.071 13.025 1.00 32.01 ? 128 GLU A C 1 ATOM 1019 O O . GLU A 1 128 ? 43.139 28.258 12.901 1.00 32.62 ? 128 GLU A O 1 ATOM 1020 C CB . GLU A 1 128 ? 44.547 26.166 10.927 1.00 36.27 ? 128 GLU A CB 1 ATOM 1021 C CG . GLU A 1 128 ? 45.935 26.036 11.539 1.00 36.68 ? 128 GLU A CG 1 ATOM 1022 C CD . GLU A 1 128 ? 46.335 24.566 11.630 1.00 39.88 ? 128 GLU A CD 1 ATOM 1023 O OE1 . GLU A 1 128 ? 45.419 23.754 11.738 1.00 43.92 ? 128 GLU A OE1 1 ATOM 1024 O OE2 . GLU A 1 128 ? 47.546 24.220 11.591 1.00 52.83 ? 128 GLU A OE2 1 ATOM 1025 N N . LYS A 1 129 ? 44.067 26.591 14.122 1.00 31.64 ? 129 LYS A N 1 ATOM 1026 C CA . LYS A 1 129 ? 44.221 27.497 15.258 1.00 39.26 ? 129 LYS A CA 1 ATOM 1027 C C . LYS A 1 129 ? 45.554 28.224 15.082 1.00 35.73 ? 129 LYS A C 1 ATOM 1028 O O . LYS A 1 129 ? 46.601 27.618 14.796 1.00 39.55 ? 129 LYS A O 1 ATOM 1029 C CB . LYS A 1 129 ? 44.170 26.722 16.576 1.00 48.02 ? 129 LYS A CB 1 ATOM 1030 C CG . LYS A 1 129 ? 44.259 27.637 17.773 1.00 51.04 ? 129 LYS A CG 1 ATOM 1031 C CD . LYS A 1 129 ? 42.916 28.141 18.194 1.00 45.68 ? 129 LYS A CD 1 ATOM 1032 C CE . LYS A 1 129 ? 43.028 28.816 19.560 1.00 62.60 ? 129 LYS A CE 1 ATOM 1033 N NZ . LYS A 1 129 ? 43.811 27.960 20.513 1.00 61.91 ? 129 LYS A NZ 1 ATOM 1034 N N . CYS A 1 130 ? 45.543 29.526 15.148 1.00 38.04 ? 130 CYS A N 1 ATOM 1035 C CA . CYS A 1 130 ? 46.760 30.195 14.664 1.00 38.73 ? 130 CYS A CA 1 ATOM 1036 C C . CYS A 1 130 ? 47.099 31.184 15.783 1.00 40.51 ? 130 CYS A C 1 ATOM 1037 O O . CYS A 1 130 ? 46.891 32.363 15.635 1.00 44.02 ? 130 CYS A O 1 ATOM 1038 C CB . CYS A 1 130 ? 46.512 31.012 13.387 1.00 39.23 ? 130 CYS A CB 1 ATOM 1039 S SG . CYS A 1 130 ? 46.084 30.062 11.944 1.00 35.49 ? 130 CYS A SG 1 ATOM 1040 N N . GLY A 1 131 ? 47.551 30.702 16.925 1.00 43.04 ? 131 GLY A N 1 ATOM 1041 C CA . GLY A 1 131 ? 47.646 31.592 18.074 1.00 37.08 ? 131 GLY A CA 1 ATOM 1042 C C . GLY A 1 131 ? 46.327 31.656 18.753 1.00 39.87 ? 131 GLY A C 1 ATOM 1043 O O . GLY A 1 131 ? 45.674 30.620 18.937 1.00 52.74 ? 131 GLY A O 1 ATOM 1044 N N . LYS A 1 132 ? 45.962 32.865 19.142 1.00 37.61 ? 132 LYS A N 1 ATOM 1045 C CA . LYS A 1 132 ? 44.810 33.135 19.918 1.00 41.44 ? 132 LYS A CA 1 ATOM 1046 C C . LYS A 1 132 ? 43.551 32.735 19.085 1.00 54.33 ? 132 LYS A C 1 ATOM 1047 O O . LYS A 1 132 ? 42.634 32.099 19.610 1.00 53.22 ? 132 LYS A O 1 ATOM 1048 C CB . LYS A 1 132 ? 44.818 34.631 20.225 1.00 44.37 ? 132 LYS A CB 1 ATOM 1049 C CG . LYS A 1 132 ? 43.633 35.095 21.064 1.00 56.16 ? 132 LYS A CG 1 ATOM 1050 C CD . LYS A 1 132 ? 43.788 36.557 21.509 1.00 66.40 ? 132 LYS A CD 1 ATOM 1051 C CE . LYS A 1 132 ? 42.787 37.503 20.831 1.00 72.32 ? 132 LYS A CE 1 ATOM 1052 N NZ . LYS A 1 132 ? 41.506 36.843 20.371 1.00 67.31 ? 132 LYS A NZ 1 ATOM 1053 N N . ASN A 1 133 ? 43.549 33.069 17.780 1.00 38.08 ? 133 ASN A N 1 ATOM 1054 C CA . ASN A 1 133 ? 42.390 32.874 16.877 1.00 36.30 ? 133 ASN A CA 1 ATOM 1055 C C . ASN A 1 133 ? 42.480 31.690 15.898 1.00 34.61 ? 133 ASN A C 1 ATOM 1056 O O . ASN A 1 133 ? 43.587 31.122 15.643 1.00 37.98 ? 133 ASN A O 1 ATOM 1057 C CB . ASN A 1 133 ? 42.172 34.194 16.142 1.00 44.64 ? 133 ASN A CB 1 ATOM 1058 C CG . ASN A 1 133 ? 41.662 35.279 17.094 1.00 50.77 ? 133 ASN A CG 1 ATOM 1059 O OD1 . ASN A 1 133 ? 41.335 35.005 18.239 1.00 56.10 ? 133 ASN A OD1 1 ATOM 1060 N ND2 . ASN A 1 133 ? 41.549 36.475 16.610 1.00 52.42 ? 133 ASN A ND2 1 ATOM 1061 N N . TYR A 1 134 ? 41.312 31.355 15.326 1.00 35.33 ? 134 TYR A N 1 ATOM 1062 C CA . TYR A 1 134 ? 41.205 30.438 14.185 1.00 34.58 ? 134 TYR A CA 1 ATOM 1063 C C . TYR A 1 134 ? 41.299 31.351 12.962 1.00 32.88 ? 134 TYR A C 1 ATOM 1064 O O . TYR A 1 134 ? 40.778 32.447 12.980 1.00 33.05 ? 134 TYR A O 1 ATOM 1065 C CB . TYR A 1 134 ? 39.821 29.792 14.236 1.00 39.40 ? 134 TYR A CB 1 ATOM 1066 C CG . TYR A 1 134 ? 39.705 28.709 15.290 1.00 41.40 ? 134 TYR A CG 1 ATOM 1067 C CD1 . TYR A 1 134 ? 40.374 27.494 15.122 1.00 41.59 ? 134 TYR A CD1 1 ATOM 1068 C CD2 . TYR A 1 134 ? 38.962 28.911 16.452 1.00 34.13 ? 134 TYR A CD2 1 ATOM 1069 C CE1 . TYR A 1 134 ? 40.271 26.503 16.075 1.00 39.89 ? 134 TYR A CE1 1 ATOM 1070 C CE2 . TYR A 1 134 ? 38.830 27.906 17.394 1.00 36.37 ? 134 TYR A CE2 1 ATOM 1071 C CZ . TYR A 1 134 ? 39.499 26.746 17.224 1.00 41.08 ? 134 TYR A CZ 1 ATOM 1072 O OH . TYR A 1 134 ? 39.410 25.750 18.152 1.00 49.19 ? 134 TYR A OH 1 ATOM 1073 N N . LEU A 1 135 ? 41.992 30.879 11.932 1.00 31.20 ? 135 LEU A N 1 ATOM 1074 C CA . LEU A 1 135 ? 41.691 31.180 10.547 1.00 30.72 ? 135 LEU A CA 1 ATOM 1075 C C . LEU A 1 135 ? 40.656 30.125 10.058 1.00 31.53 ? 135 LEU A C 1 ATOM 1076 O O . LEU A 1 135 ? 40.950 28.944 10.031 1.00 30.31 ? 135 LEU A O 1 ATOM 1077 C CB . LEU A 1 135 ? 42.968 31.109 9.736 1.00 27.07 ? 135 LEU A CB 1 ATOM 1078 C CG . LEU A 1 135 ? 42.738 31.501 8.242 1.00 30.30 ? 135 LEU A CG 1 ATOM 1079 C CD1 . LEU A 1 135 ? 42.005 32.834 8.072 1.00 29.15 ? 135 LEU A CD1 1 ATOM 1080 C CD2 . LEU A 1 135 ? 44.088 31.669 7.638 1.00 31.55 ? 135 LEU A CD2 1 ATOM 1081 N N . ILE A 1 136 ? 39.423 30.565 9.801 1.00 31.95 ? 136 ILE A N 1 ATOM 1082 C CA . ILE A 1 136 ? 38.379 29.718 9.188 1.00 28.89 ? 136 ILE A CA 1 ATOM 1083 C C . ILE A 1 136 ? 38.156 30.074 7.684 1.00 35.11 ? 136 ILE A C 1 ATOM 1084 O O . ILE A 1 136 ? 38.039 31.277 7.353 1.00 28.65 ? 136 ILE A O 1 ATOM 1085 C CB . ILE A 1 136 ? 37.094 29.948 9.929 1.00 27.76 ? 136 ILE A CB 1 ATOM 1086 C CG1 . ILE A 1 136 ? 37.344 29.692 11.430 1.00 24.47 ? 136 ILE A CG1 1 ATOM 1087 C CG2 . ILE A 1 136 ? 35.963 29.085 9.337 1.00 25.76 ? 136 ILE A CG2 1 ATOM 1088 C CD1 . ILE A 1 136 ? 36.346 30.429 12.292 1.00 24.42 ? 136 ILE A CD1 1 ATOM 1089 N N . VAL A 1 137 ? 38.217 29.048 6.808 1.00 26.18 ? 137 VAL A N 1 ATOM 1090 C CA . VAL A 1 137 ? 38.057 29.168 5.356 1.00 24.68 ? 137 VAL A CA 1 ATOM 1091 C C . VAL A 1 137 ? 36.851 28.294 5.037 1.00 28.37 ? 137 VAL A C 1 ATOM 1092 O O . VAL A 1 137 ? 36.895 27.124 5.386 1.00 26.89 ? 137 VAL A O 1 ATOM 1093 C CB . VAL A 1 137 ? 39.269 28.639 4.609 1.00 22.73 ? 137 VAL A CB 1 ATOM 1094 C CG1 . VAL A 1 137 ? 39.119 28.750 3.069 1.00 24.13 ? 137 VAL A CG1 1 ATOM 1095 C CG2 . VAL A 1 137 ? 40.533 29.391 5.098 1.00 23.33 ? 137 VAL A CG2 1 ATOM 1096 N N . CYS A 1 138 ? 35.775 28.867 4.453 1.00 25.90 ? 138 CYS A N 1 ATOM 1097 C CA . CYS A 1 138 ? 34.694 28.063 3.790 1.00 26.61 ? 138 CYS A CA 1 ATOM 1098 C C . CYS A 1 138 ? 34.765 28.306 2.324 1.00 25.40 ? 138 CYS A C 1 ATOM 1099 O O . CYS A 1 138 ? 34.881 29.484 1.910 1.00 25.49 ? 138 CYS A O 1 ATOM 1100 C CB . CYS A 1 138 ? 33.294 28.443 4.261 1.00 24.76 ? 138 CYS A CB 1 ATOM 1101 S SG . CYS A 1 138 ? 32.899 27.769 5.896 1.00 32.37 ? 138 CYS A SG 1 ATOM 1102 N N . ASN A 1 139 ? 34.775 27.198 1.581 1.00 25.31 ? 139 ASN A N 1 ATOM 1103 C CA . ASN A 1 139 ? 34.680 27.188 0.121 1.00 24.90 ? 139 ASN A CA 1 ATOM 1104 C C . ASN A 1 139 ? 33.310 26.741 -0.274 1.00 27.38 ? 139 ASN A C 1 ATOM 1105 O O . ASN A 1 139 ? 32.704 25.877 0.389 1.00 25.29 ? 139 ASN A O 1 ATOM 1106 C CB . ASN A 1 139 ? 35.716 26.317 -0.570 1.00 23.53 ? 139 ASN A CB 1 ATOM 1107 C CG . ASN A 1 139 ? 37.100 26.864 -0.411 1.00 25.01 ? 139 ASN A CG 1 ATOM 1108 O OD1 . ASN A 1 139 ? 37.266 28.066 -0.446 1.00 24.69 ? 139 ASN A OD1 1 ATOM 1109 N ND2 . ASN A 1 139 ? 38.123 25.973 -0.190 1.00 22.14 ? 139 ASN A ND2 1 ATOM 1110 N N . TYR A 1 140 ? 32.805 27.370 -1.342 1.00 25.04 ? 140 TYR A N 1 ATOM 1111 C CA . TYR A 1 140 ? 31.442 27.148 -1.813 1.00 23.51 ? 140 TYR A CA 1 ATOM 1112 C C . TYR A 1 140 ? 31.524 26.940 -3.387 1.00 26.79 ? 140 TYR A C 1 ATOM 1113 O O . TYR A 1 140 ? 32.283 27.601 -4.051 1.00 22.96 ? 140 TYR A O 1 ATOM 1114 C CB . TYR A 1 140 ? 30.598 28.373 -1.576 1.00 23.01 ? 140 TYR A CB 1 ATOM 1115 C CG . TYR A 1 140 ? 30.549 28.825 -0.129 1.00 26.15 ? 140 TYR A CG 1 ATOM 1116 C CD1 . TYR A 1 140 ? 31.556 29.684 0.403 1.00 24.49 ? 140 TYR A CD1 1 ATOM 1117 C CD2 . TYR A 1 140 ? 29.500 28.375 0.744 1.00 27.69 ? 140 TYR A CD2 1 ATOM 1118 C CE1 . TYR A 1 140 ? 31.516 30.113 1.740 1.00 20.58 ? 140 TYR A CE1 1 ATOM 1119 C CE2 . TYR A 1 140 ? 29.455 28.827 2.101 1.00 22.04 ? 140 TYR A CE2 1 ATOM 1120 C CZ . TYR A 1 140 ? 30.486 29.648 2.581 1.00 22.29 ? 140 TYR A CZ 1 ATOM 1121 O OH . TYR A 1 140 ? 30.474 30.091 3.882 1.00 25.50 ? 140 TYR A OH 1 ATOM 1122 N N . ALA A 1 141 ? 30.711 26.030 -3.930 1.00 26.72 ? 141 ALA A N 1 ATOM 1123 C CA . ALA A 1 141 ? 30.640 25.744 -5.392 1.00 30.35 ? 141 ALA A CA 1 ATOM 1124 C C . ALA A 1 141 ? 29.157 25.634 -5.782 1.00 27.72 ? 141 ALA A C 1 ATOM 1125 O O . ALA A 1 141 ? 28.443 24.852 -5.193 1.00 25.30 ? 141 ALA A O 1 ATOM 1126 C CB . ALA A 1 141 ? 31.329 24.409 -5.684 1.00 31.66 ? 141 ALA A CB 1 ATOM 1127 N N . PRO A 1 142 ? 28.698 26.397 -6.798 1.00 30.75 ? 142 PRO A N 1 ATOM 1128 C CA . PRO A 1 142 ? 29.484 27.458 -7.498 1.00 30.22 ? 142 PRO A CA 1 ATOM 1129 C C . PRO A 1 142 ? 29.607 28.602 -6.529 1.00 27.65 ? 142 PRO A C 1 ATOM 1130 O O . PRO A 1 142 ? 28.902 28.625 -5.505 1.00 29.46 ? 142 PRO A O 1 ATOM 1131 C CB . PRO A 1 142 ? 28.572 27.912 -8.701 1.00 31.67 ? 142 PRO A CB 1 ATOM 1132 C CG . PRO A 1 142 ? 27.357 27.087 -8.617 1.00 32.34 ? 142 PRO A CG 1 ATOM 1133 C CD . PRO A 1 142 ? 27.441 26.044 -7.479 1.00 32.70 ? 142 PRO A CD 1 ATOM 1134 N N . GLY A 1 143 ? 30.457 29.569 -6.819 1.00 28.38 ? 143 GLY A N 1 ATOM 1135 C CA . GLY A 1 143 ? 30.485 30.766 -5.959 1.00 30.11 ? 143 GLY A CA 1 ATOM 1136 C C . GLY A 1 143 ? 29.384 31.751 -6.342 1.00 30.01 ? 143 GLY A C 1 ATOM 1137 O O . GLY A 1 143 ? 28.570 31.468 -7.190 1.00 31.16 ? 143 GLY A O 1 ATOM 1138 N N . ASP A 1 144 ? 29.310 32.842 -5.640 1.00 31.68 ? 144 ASP A N 1 ATOM 1139 C CA . ASP A 1 144 ? 28.306 33.812 -5.889 1.00 31.47 ? 144 ASP A CA 1 ATOM 1140 C C . ASP A 1 144 ? 28.737 34.862 -6.935 1.00 36.36 ? 144 ASP A C 1 ATOM 1141 O O . ASP A 1 144 ? 29.827 34.808 -7.456 1.00 36.15 ? 144 ASP A O 1 ATOM 1142 C CB . ASP A 1 144 ? 27.840 34.413 -4.555 1.00 25.35 ? 144 ASP A CB 1 ATOM 1143 C CG . ASP A 1 144 ? 28.836 35.234 -3.857 1.00 32.23 ? 144 ASP A CG 1 ATOM 1144 O OD1 . ASP A 1 144 ? 29.947 35.467 -4.355 1.00 26.19 ? 144 ASP A OD1 1 ATOM 1145 O OD2 . ASP A 1 144 ? 28.459 35.666 -2.725 1.00 36.32 ? 144 ASP A OD2 1 ATOM 1146 N N . SER A 1 145 ? 27.883 35.841 -7.208 1.00 34.93 ? 145 SER A N 1 ATOM 1147 C CA . SER A 1 145 ? 28.232 36.926 -8.115 1.00 34.61 ? 145 SER A CA 1 ATOM 1148 C C . SER A 1 145 ? 27.819 38.179 -7.405 1.00 38.12 ? 145 SER A C 1 ATOM 1149 O O . SER A 1 145 ? 27.460 38.165 -6.208 1.00 35.96 ? 145 SER A O 1 ATOM 1150 C CB . SER A 1 145 ? 27.490 36.739 -9.457 1.00 34.77 ? 145 SER A CB 1 ATOM 1151 O OG . SER A 1 145 ? 26.120 36.971 -9.297 1.00 41.05 ? 145 SER A OG 1 ATOM 1152 N N . GLU A 1 146 ? 27.825 39.281 -8.112 1.00 36.63 ? 146 GLU A N 1 ATOM 1153 C CA . GLU A 1 146 ? 27.370 40.536 -7.564 1.00 34.53 ? 146 GLU A CA 1 ATOM 1154 C C . GLU A 1 146 ? 25.836 40.671 -7.552 1.00 23.85 ? 146 GLU A C 1 ATOM 1155 O O . GLU A 1 146 ? 25.369 41.556 -6.949 1.00 29.55 ? 146 GLU A O 1 ATOM 1156 C CB . GLU A 1 146 ? 27.899 41.725 -8.399 1.00 45.90 ? 146 GLU A CB 1 ATOM 1157 C CG . GLU A 1 146 ? 27.409 41.763 -9.834 1.00 68.87 ? 146 GLU A CG 1 ATOM 1158 C CD . GLU A 1 146 ? 28.074 42.898 -10.626 1.00 86.63 ? 146 GLU A CD 1 ATOM 1159 O OE1 . GLU A 1 146 ? 28.643 43.860 -10.020 1.00 84.92 ? 146 GLU A OE1 1 ATOM 1160 O OE2 . GLU A 1 146 ? 28.052 42.808 -11.871 1.00 88.58 ? 146 GLU A OE2 1 ATOM 1161 N N . ASP A 1 147 ? 25.097 39.841 -8.212 1.00 27.09 ? 147 ASP A N 1 ATOM 1162 C CA . ASP A 1 147 ? 23.580 39.824 -8.098 1.00 30.17 ? 147 ASP A CA 1 ATOM 1163 C C . ASP A 1 147 ? 23.013 39.563 -6.731 1.00 35.48 ? 147 ASP A C 1 ATOM 1164 O O . ASP A 1 147 ? 23.785 39.395 -5.711 1.00 28.52 ? 147 ASP A O 1 ATOM 1165 C CB . ASP A 1 147 ? 23.020 38.734 -8.993 1.00 31.95 ? 147 ASP A CB 1 ATOM 1166 C CG . ASP A 1 147 ? 23.439 38.960 -10.460 1.00 46.63 ? 147 ASP A CG 1 ATOM 1167 O OD1 . ASP A 1 147 ? 23.677 40.122 -10.758 1.00 45.06 ? 147 ASP A OD1 1 ATOM 1168 O OD2 . ASP A 1 147 ? 23.611 38.036 -11.266 1.00 50.46 ? 147 ASP A OD2 1 ATOM 1169 N N . ARG A 1 148 ? 21.668 39.523 -6.725 1.00 31.93 ? 148 ARG A N 1 ATOM 1170 C CA . ARG A 1 148 ? 20.903 39.195 -5.517 1.00 32.69 ? 148 ARG A CA 1 ATOM 1171 C C . ARG A 1 148 ? 21.085 37.693 -5.269 1.00 26.66 ? 148 ARG A C 1 ATOM 1172 O O . ARG A 1 148 ? 21.222 36.869 -6.218 1.00 26.93 ? 148 ARG A O 1 ATOM 1173 C CB . ARG A 1 148 ? 19.422 39.616 -5.688 1.00 31.90 ? 148 ARG A CB 1 ATOM 1174 C CG . ARG A 1 148 ? 19.225 41.148 -5.703 1.00 29.51 ? 148 ARG A CG 1 ATOM 1175 C CD . ARG A 1 148 ? 17.804 41.459 -6.219 1.00 29.24 ? 148 ARG A CD 1 ATOM 1176 N NE . ARG A 1 148 ? 17.582 42.914 -6.219 1.00 31.96 ? 148 ARG A NE 1 ATOM 1177 C CZ . ARG A 1 148 ? 17.927 43.649 -7.289 1.00 33.76 ? 148 ARG A CZ 1 ATOM 1178 N NH1 . ARG A 1 148 ? 18.410 43.056 -8.361 1.00 33.33 ? 148 ARG A NH1 1 ATOM 1179 N NH2 . ARG A 1 148 ? 17.782 44.917 -7.299 1.00 34.61 ? 148 ARG A NH2 1 ATOM 1180 N N . PRO A 1 149 ? 21.050 37.285 -4.003 1.00 27.50 ? 149 PRO A N 1 ATOM 1181 C CA . PRO A 1 149 ? 21.340 35.847 -3.721 1.00 24.64 ? 149 PRO A CA 1 ATOM 1182 C C . PRO A 1 149 ? 20.309 34.815 -4.124 1.00 26.17 ? 149 PRO A C 1 ATOM 1183 O O . PRO A 1 149 ? 20.650 33.619 -4.250 1.00 29.10 ? 149 PRO A O 1 ATOM 1184 C CB . PRO A 1 149 ? 21.542 35.828 -2.206 1.00 25.08 ? 149 PRO A CB 1 ATOM 1185 C CG . PRO A 1 149 ? 20.783 37.055 -1.689 1.00 31.24 ? 149 PRO A CG 1 ATOM 1186 C CD . PRO A 1 149 ? 20.917 38.099 -2.774 1.00 27.23 ? 149 PRO A CD 1 ATOM 1187 N N . TYR A 1 150 ? 19.054 35.241 -4.295 1.00 26.21 ? 150 TYR A N 1 ATOM 1188 C CA . TYR A 1 150 ? 17.918 34.350 -4.521 1.00 28.97 ? 150 TYR A CA 1 ATOM 1189 C C . TYR A 1 150 ? 16.654 35.098 -5.069 1.00 29.78 ? 150 TYR A C 1 ATOM 1190 O O . TYR A 1 150 ? 16.573 36.331 -5.055 1.00 29.41 ? 150 TYR A O 1 ATOM 1191 C CB . TYR A 1 150 ? 17.552 33.570 -3.235 1.00 25.81 ? 150 TYR A CB 1 ATOM 1192 C CG . TYR A 1 150 ? 17.257 34.468 -2.009 1.00 23.50 ? 150 TYR A CG 1 ATOM 1193 C CD1 . TYR A 1 150 ? 16.033 35.114 -1.864 1.00 23.30 ? 150 TYR A CD1 1 ATOM 1194 C CD2 . TYR A 1 150 ? 18.225 34.625 -1.007 1.00 22.47 ? 150 TYR A CD2 1 ATOM 1195 C CE1 . TYR A 1 150 ? 15.784 35.959 -0.749 1.00 25.52 ? 150 TYR A CE1 1 ATOM 1196 C CE2 . TYR A 1 150 ? 17.987 35.421 0.112 1.00 24.90 ? 150 TYR A CE2 1 ATOM 1197 C CZ . TYR A 1 150 ? 16.747 36.083 0.242 1.00 25.63 ? 150 TYR A CZ 1 ATOM 1198 O OH . TYR A 1 150 ? 16.569 36.941 1.323 1.00 23.67 ? 150 TYR A OH 1 ATOM 1199 N N . GLU A 1 151 ? 15.631 34.344 -5.432 1.00 33.13 ? 151 GLU A N 1 ATOM 1200 C CA . GLU A 1 151 ? 14.346 34.979 -5.808 1.00 33.49 ? 151 GLU A CA 1 ATOM 1201 C C . GLU A 1 151 ? 13.491 35.106 -4.557 1.00 33.87 ? 151 GLU A C 1 ATOM 1202 O O . GLU A 1 151 ? 13.352 34.118 -3.826 1.00 27.40 ? 151 GLU A O 1 ATOM 1203 C CB . GLU A 1 151 ? 13.583 34.038 -6.642 1.00 34.72 ? 151 GLU A CB 1 ATOM 1204 C CG . GLU A 1 151 ? 13.975 33.900 -8.080 1.00 54.35 ? 151 GLU A CG 1 ATOM 1205 C CD . GLU A 1 151 ? 12.948 32.975 -8.748 1.00 64.71 ? 151 GLU A CD 1 ATOM 1206 O OE1 . GLU A 1 151 ? 11.822 32.825 -8.206 1.00 61.45 ? 151 GLU A OE1 1 ATOM 1207 O OE2 . GLU A 1 151 ? 13.272 32.375 -9.785 1.00 71.30 ? 151 GLU A OE2 1 ATOM 1208 N N . ALA A 1 152 ? 12.893 36.269 -4.344 1.00 27.41 ? 152 ALA A N 1 ATOM 1209 C CA . ALA A 1 152 ? 11.981 36.463 -3.201 1.00 32.84 ? 152 ALA A CA 1 ATOM 1210 C C . ALA A 1 152 ? 10.631 35.700 -3.387 1.00 36.59 ? 152 ALA A C 1 ATOM 1211 O O . ALA A 1 152 ? 10.259 35.337 -4.501 1.00 31.64 ? 152 ALA A O 1 ATOM 1212 C CB . ALA A 1 152 ? 11.714 37.952 -3.029 1.00 30.06 ? 152 ALA A CB 1 ATOM 1213 N N . LYS A 1 153 ? 9.919 35.457 -2.303 1.00 34.10 ? 153 LYS A N 1 ATOM 1214 C CA . LYS A 1 153 ? 8.544 34.938 -2.367 1.00 33.24 ? 153 LYS A CA 1 ATOM 1215 C C . LYS A 1 153 ? 7.816 35.761 -1.308 1.00 33.99 ? 153 LYS A C 1 ATOM 1216 O O . LYS A 1 153 ? 8.458 36.542 -0.553 1.00 31.21 ? 153 LYS A O 1 ATOM 1217 C CB . LYS A 1 153 ? 8.450 33.428 -2.081 1.00 32.62 ? 153 LYS A CB 1 ATOM 1218 C CG . LYS A 1 153 ? 8.640 33.154 -0.561 1.00 39.92 ? 153 LYS A CG 1 ATOM 1219 C CD . LYS A 1 153 ? 8.474 31.670 -0.189 1.00 40.01 ? 153 LYS A CD 1 ATOM 1220 C CE . LYS A 1 153 ? 8.799 31.500 1.303 1.00 46.79 ? 153 LYS A CE 1 ATOM 1221 N NZ . LYS A 1 153 ? 8.891 30.041 1.614 1.00 53.09 ? 153 LYS A NZ 1 ATOM 1222 N N . PRO A 1 154 ? 6.465 35.722 -1.360 1.00 35.93 ? 154 PRO A N 1 ATOM 1223 C CA . PRO A 1 154 ? 5.657 36.582 -0.518 1.00 34.80 ? 154 PRO A CA 1 ATOM 1224 C C . PRO A 1 154 ? 5.808 36.129 0.937 1.00 32.74 ? 154 PRO A C 1 ATOM 1225 O O . PRO A 1 154 ? 5.864 34.914 1.221 1.00 35.18 ? 154 PRO A O 1 ATOM 1226 C CB . PRO A 1 154 ? 4.213 36.360 -1.028 1.00 36.16 ? 154 PRO A CB 1 ATOM 1227 C CG . PRO A 1 154 ? 4.353 35.760 -2.402 1.00 43.50 ? 154 PRO A CG 1 ATOM 1228 C CD . PRO A 1 154 ? 5.727 35.088 -2.481 1.00 33.88 ? 154 PRO A CD 1 ATOM 1229 N N . GLU A 1 155 ? 5.972 37.068 1.841 1.00 32.42 ? 155 GLU A N 1 ATOM 1230 C CA . GLU A 1 155 ? 6.029 36.709 3.264 1.00 45.27 ? 155 GLU A CA 1 ATOM 1231 C C . GLU A 1 155 ? 4.834 35.805 3.771 1.00 50.63 ? 155 GLU A C 1 ATOM 1232 O O . GLU A 1 155 ? 5.053 34.941 4.607 1.00 48.91 ? 155 GLU A O 1 ATOM 1233 C CB . GLU A 1 155 ? 6.317 37.926 4.133 1.00 47.44 ? 155 GLU A CB 1 ATOM 1234 C CG . GLU A 1 155 ? 5.057 38.706 4.479 1.00 63.99 ? 155 GLU A CG 1 ATOM 1235 C CD . GLU A 1 155 ? 5.333 40.098 5.054 1.00 72.82 ? 155 GLU A CD 1 ATOM 1236 O OE1 . GLU A 1 155 ? 4.337 40.822 5.344 1.00 68.88 ? 155 GLU A OE1 1 ATOM 1237 O OE2 . GLU A 1 155 ? 6.536 40.474 5.219 1.00 63.15 ? 155 GLU A OE2 1 ATOM 1238 N N . SER A 1 156 ? 3.640 35.863 3.173 1.00 49.23 ? 156 SER A N 1 ATOM 1239 C CA . SER A 1 156 ? 2.566 34.909 3.569 1.00 54.91 ? 156 SER A CA 1 ATOM 1240 C C . SER A 1 156 ? 2.939 33.443 3.364 1.00 62.24 ? 156 SER A C 1 ATOM 1241 O O . SER A 1 156 ? 2.492 32.566 4.089 1.00 59.85 ? 156 SER A O 1 ATOM 1242 C CB . SER A 1 156 ? 1.317 35.149 2.779 1.00 58.58 ? 156 SER A CB 1 ATOM 1243 O OG . SER A 1 156 ? 1.410 34.436 1.555 1.00 66.42 ? 156 SER A OG 1 ATOM 1244 N N . LYS A 1 157 ? 3.757 33.147 2.378 1.00 49.59 ? 157 LYS A N 1 ATOM 1245 C CA . LYS A 1 157 ? 4.144 31.773 2.267 1.00 51.99 ? 157 LYS A CA 1 ATOM 1246 C C . LYS A 1 157 ? 4.970 31.337 3.485 1.00 56.80 ? 157 LYS A C 1 ATOM 1247 O O . LYS A 1 157 ? 5.376 30.189 3.591 1.00 64.84 ? 157 LYS A O 1 ATOM 1248 C CB . LYS A 1 157 ? 4.839 31.543 0.928 1.00 51.95 ? 157 LYS A CB 1 ATOM 1249 C CG . LYS A 1 157 ? 4.028 32.203 -0.204 1.00 52.99 ? 157 LYS A CG 1 ATOM 1250 C CD . LYS A 1 157 ? 3.585 31.180 -1.245 1.00 64.90 ? 157 LYS A CD 1 ATOM 1251 C CE . LYS A 1 157 ? 2.621 31.804 -2.252 1.00 65.68 ? 157 LYS A CE 1 ATOM 1252 N NZ . LYS A 1 157 ? 1.176 31.560 -1.947 1.00 60.81 ? 157 LYS A NZ 1 ATOM 1253 N N . CYS A 1 158 ? 5.209 32.251 4.419 1.00 61.05 ? 158 CYS A N 1 ATOM 1254 C CA . CYS A 1 158 ? 5.799 31.861 5.695 1.00 61.35 ? 158 CYS A CA 1 ATOM 1255 C C . CYS A 1 158 ? 4.625 31.689 6.684 1.00 58.66 ? 158 CYS A C 1 ATOM 1256 O O . CYS A 1 158 ? 4.745 30.936 7.635 1.00 56.00 ? 158 CYS A O 1 ATOM 1257 C CB . CYS A 1 158 ? 6.838 32.903 6.199 1.00 54.61 ? 158 CYS A CB 1 ATOM 1258 S SG . CYS A 1 158 ? 8.258 33.442 5.114 1.00 44.00 ? 158 CYS A SG 1 HETATM 1259 C C1 . NAG B 2 . ? 18.384 31.554 -8.172 1.00 41.26 ? 201 NAG A C1 1 HETATM 1260 C C2 . NAG B 2 . ? 17.436 30.700 -9.030 1.00 44.28 ? 201 NAG A C2 1 HETATM 1261 C C3 . NAG B 2 . ? 17.230 31.253 -10.406 1.00 52.49 ? 201 NAG A C3 1 HETATM 1262 C C4 . NAG B 2 . ? 16.843 32.699 -10.277 1.00 50.72 ? 201 NAG A C4 1 HETATM 1263 C C5 . NAG B 2 . ? 17.969 33.441 -9.592 1.00 58.20 ? 201 NAG A C5 1 HETATM 1264 C C6 . NAG B 2 . ? 17.659 34.913 -9.620 1.00 52.95 ? 201 NAG A C6 1 HETATM 1265 C C7 . NAG B 2 . ? 17.683 28.461 -8.290 1.00 51.50 ? 201 NAG A C7 1 HETATM 1266 C C8 . NAG B 2 . ? 18.315 27.140 -8.499 1.00 49.45 ? 201 NAG A C8 1 HETATM 1267 N N2 . NAG B 2 . ? 17.895 29.358 -9.208 1.00 43.88 ? 201 NAG A N2 1 HETATM 1268 O O3 . NAG B 2 . ? 16.216 30.502 -11.060 1.00 54.55 ? 201 NAG A O3 1 HETATM 1269 O O4 . NAG B 2 . ? 16.626 33.229 -11.549 1.00 71.30 ? 201 NAG A O4 1 HETATM 1270 O O5 . NAG B 2 . ? 18.120 32.938 -8.278 1.00 50.49 ? 201 NAG A O5 1 HETATM 1271 O O6 . NAG B 2 . ? 18.610 35.657 -8.899 1.00 55.42 ? 201 NAG A O6 1 HETATM 1272 O O7 . NAG B 2 . ? 17.037 28.663 -7.308 1.00 56.77 ? 201 NAG A O7 1 HETATM 1273 O O . HOH C 3 . ? 2.606 37.643 1.894 1.00 54.50 ? 301 HOH A O 1 HETATM 1274 O O . HOH C 3 . ? 52.263 30.456 7.215 1.00 33.09 ? 302 HOH A O 1 HETATM 1275 O O . HOH C 3 . ? 16.155 38.065 -6.992 1.00 39.98 ? 303 HOH A O 1 HETATM 1276 O O . HOH C 3 . ? 38.885 23.841 -11.210 1.00 32.54 ? 304 HOH A O 1 HETATM 1277 O O . HOH C 3 . ? 37.281 37.788 10.456 1.00 35.65 ? 305 HOH A O 1 HETATM 1278 O O . HOH C 3 . ? 8.913 39.172 -0.510 1.00 38.39 ? 306 HOH A O 1 HETATM 1279 O O . HOH C 3 . ? 38.035 25.812 -9.042 1.00 43.42 ? 307 HOH A O 1 HETATM 1280 O O . HOH C 3 . ? 38.496 20.161 11.352 1.00 39.99 ? 308 HOH A O 1 HETATM 1281 O O . HOH C 3 . ? 16.587 43.412 2.114 1.00 36.36 ? 309 HOH A O 1 HETATM 1282 O O . HOH C 3 . ? 41.888 20.024 -6.428 1.00 52.57 ? 310 HOH A O 1 HETATM 1283 O O . HOH C 3 . ? 47.365 25.980 -8.913 1.00 42.53 ? 311 HOH A O 1 HETATM 1284 O O . HOH C 3 . ? 1.685 39.779 5.077 1.00 39.84 ? 312 HOH A O 1 HETATM 1285 O O . HOH C 3 . ? 19.936 50.615 0.420 1.00 53.04 ? 313 HOH A O 1 HETATM 1286 O O . HOH C 3 . ? 34.917 27.614 18.566 1.00 42.58 ? 314 HOH A O 1 HETATM 1287 O O . HOH C 3 . ? 39.388 21.789 9.731 1.00 33.56 ? 315 HOH A O 1 HETATM 1288 O O . HOH C 3 . ? 15.277 35.595 -13.125 1.00 59.44 ? 316 HOH A O 1 HETATM 1289 O O . HOH C 3 . ? 9.817 36.316 -7.534 1.00 60.73 ? 317 HOH A O 1 HETATM 1290 O O . HOH C 3 . ? 52.554 29.642 4.806 1.00 42.88 ? 318 HOH A O 1 HETATM 1291 O O . HOH C 3 . ? 35.460 36.579 3.894 1.00 28.55 ? 319 HOH A O 1 HETATM 1292 O O . HOH C 3 . ? 32.982 14.796 -1.093 1.00 40.17 ? 320 HOH A O 1 HETATM 1293 O O . HOH C 3 . ? 35.698 16.841 4.630 1.00 36.87 ? 321 HOH A O 1 HETATM 1294 O O . HOH C 3 . ? 38.509 34.751 -0.205 1.00 33.73 ? 322 HOH A O 1 HETATM 1295 O O . HOH C 3 . ? 14.176 25.607 -1.483 1.00 42.65 ? 323 HOH A O 1 HETATM 1296 O O . HOH C 3 . ? 40.937 27.050 -0.728 1.00 31.96 ? 324 HOH A O 1 HETATM 1297 O O . HOH C 3 . ? 28.500 41.225 11.160 1.00 44.89 ? 325 HOH A O 1 HETATM 1298 O O . HOH C 3 . ? 46.099 31.251 4.512 1.00 40.55 ? 326 HOH A O 1 HETATM 1299 O O . HOH C 3 . ? 15.931 31.289 -5.440 1.00 31.51 ? 327 HOH A O 1 HETATM 1300 O O . HOH C 3 . ? 44.245 25.845 -0.639 1.00 46.04 ? 328 HOH A O 1 HETATM 1301 O O . HOH C 3 . ? 48.737 24.301 4.338 1.00 42.28 ? 329 HOH A O 1 HETATM 1302 O O . HOH C 3 . ? 21.048 23.052 10.932 1.00 41.76 ? 330 HOH A O 1 HETATM 1303 O O . HOH C 3 . ? 21.059 34.515 -7.342 1.00 37.75 ? 331 HOH A O 1 HETATM 1304 O O . HOH C 3 . ? 14.159 30.496 -7.207 1.00 45.21 ? 332 HOH A O 1 HETATM 1305 O O . HOH C 3 . ? 26.189 25.366 14.327 1.00 42.25 ? 333 HOH A O 1 HETATM 1306 O O . HOH C 3 . ? 31.801 23.523 -12.136 1.00 46.61 ? 334 HOH A O 1 HETATM 1307 O O . HOH C 3 . ? 36.765 36.292 1.303 1.00 44.00 ? 335 HOH A O 1 HETATM 1308 O O . HOH C 3 . ? 26.252 43.636 11.162 1.00 50.91 ? 336 HOH A O 1 HETATM 1309 O O . HOH C 3 . ? 26.394 48.018 -2.579 1.00 55.74 ? 337 HOH A O 1 HETATM 1310 O O . HOH C 3 . ? 18.712 23.415 9.562 1.00 48.39 ? 338 HOH A O 1 HETATM 1311 O O . HOH C 3 . ? 23.720 26.066 13.969 1.00 48.46 ? 339 HOH A O 1 HETATM 1312 O O . HOH C 3 . ? 21.677 24.165 14.114 1.00 48.69 ? 340 HOH A O 1 HETATM 1313 O O . HOH C 3 . ? 31.343 25.245 -9.816 1.00 40.98 ? 341 HOH A O 1 HETATM 1314 O O . HOH C 3 . ? 8.046 29.288 4.253 1.00 43.90 ? 342 HOH A O 1 HETATM 1315 O O . HOH C 3 . ? 34.889 15.364 -2.819 1.00 46.93 ? 343 HOH A O 1 HETATM 1316 O O . HOH C 3 . ? 34.771 37.449 9.543 1.00 56.61 ? 344 HOH A O 1 HETATM 1317 O O . HOH C 3 . ? 10.759 28.882 0.652 1.00 41.10 ? 345 HOH A O 1 HETATM 1318 O O . HOH C 3 . ? 29.644 23.396 -9.184 1.00 48.15 ? 346 HOH A O 1 HETATM 1319 O O . HOH C 3 . ? 29.021 41.124 13.764 1.00 55.54 ? 347 HOH A O 1 HETATM 1320 O O . HOH C 3 . ? 32.188 35.638 0.029 1.00 36.21 ? 348 HOH A O 1 HETATM 1321 O O . HOH C 3 . ? 17.932 43.164 7.159 1.00 44.36 ? 349 HOH A O 1 HETATM 1322 O O . HOH C 3 . ? 43.336 32.986 3.524 1.00 47.55 ? 350 HOH A O 1 HETATM 1323 O O . HOH C 3 . ? 35.464 37.946 6.498 1.00 43.87 ? 351 HOH A O 1 HETATM 1324 O O . HOH C 3 . ? 11.427 26.419 -1.067 1.00 46.93 ? 352 HOH A O 1 HETATM 1325 O O . HOH C 3 . ? 24.661 32.500 -9.703 1.00 48.32 ? 353 HOH A O 1 HETATM 1326 O O . HOH C 3 . ? 26.398 16.447 2.895 1.00 52.92 ? 354 HOH A O 1 HETATM 1327 O O . HOH C 3 . ? 18.923 24.166 5.008 1.00 34.28 ? 355 HOH A O 1 HETATM 1328 O O . HOH C 3 . ? 46.371 23.780 -0.831 1.00 55.66 ? 356 HOH A O 1 HETATM 1329 O O . HOH C 3 . ? 13.823 35.725 5.974 1.00 40.52 ? 357 HOH A O 1 HETATM 1330 O O . HOH C 3 . ? 24.661 17.890 9.661 1.00 46.47 ? 358 HOH A O 1 HETATM 1331 O O . HOH C 3 . ? 19.806 37.472 13.850 1.00 53.98 ? 359 HOH A O 1 HETATM 1332 O O . HOH C 3 . ? 36.188 35.215 -1.616 1.00 46.38 ? 360 HOH A O 1 HETATM 1333 O O . HOH C 3 . ? 29.402 50.308 1.364 1.00 61.65 ? 361 HOH A O 1 HETATM 1334 O O . HOH C 3 . ? 32.181 33.674 -6.019 1.00 31.85 ? 362 HOH A O 1 HETATM 1335 O O . HOH C 3 . ? 32.219 34.173 -2.266 1.00 28.68 ? 363 HOH A O 1 HETATM 1336 O O . HOH C 3 . ? 32.132 37.301 -5.978 1.00 55.42 ? 364 HOH A O 1 HETATM 1337 O O . HOH C 3 . ? 20.825 23.956 2.772 1.00 18.21 ? 365 HOH A O 1 HETATM 1338 O O . HOH C 3 . ? 18.663 38.600 1.765 1.00 31.52 ? 366 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 GLU 1 1 ? ? ? A . n A 1 2 PHE 2 2 ? ? ? A . n A 1 3 LYS 3 3 ? ? ? A . n A 1 4 LEU 4 4 4 LEU LEU A . n A 1 5 SER 5 5 5 SER SER A . n A 1 6 GLU 6 6 6 GLU GLU A . n A 1 7 GLY 7 7 7 GLY GLY A . n A 1 8 GLN 8 8 8 GLN GLN A . n A 1 9 ARG 9 9 9 ARG ARG A . n A 1 10 ALA 10 10 10 ALA ALA A . n A 1 11 ILE 11 11 11 ILE ILE A . n A 1 12 TYR 12 12 12 TYR TYR A . n A 1 13 ASN 13 13 13 ASN ASN A . n A 1 14 PHE 14 14 14 PHE PHE A . n A 1 15 HIS 15 15 15 HIS HIS A . n A 1 16 LYS 16 16 16 LYS LYS A . n A 1 17 LYS 17 17 17 LYS LYS A . n A 1 18 VAL 18 18 18 VAL VAL A . n A 1 19 ARG 19 19 19 ARG ARG A . n A 1 20 LYS 20 20 20 LYS LYS 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 LYS 23 23 23 LYS LYS A . n A 1 24 ASN 24 24 24 ASN ASN A . n A 1 25 CYS 25 25 25 CYS CYS A . n A 1 26 ARG 26 26 26 ARG ARG A . n A 1 27 ILE 27 27 27 ILE ILE A . n A 1 28 PRO 28 28 28 PRO PRO A . n A 1 29 GLY 29 29 29 GLY GLY A . n A 1 30 GLN 30 30 30 GLN GLN A . n A 1 31 PRO 31 31 31 PRO PRO A . n A 1 32 PRO 32 32 32 PRO PRO A . n A 1 33 ALA 33 33 33 ALA ALA A . n A 1 34 LYS 34 34 34 LYS LYS A . n A 1 35 ASN 35 35 35 ASN ASN A . n A 1 36 LEU 36 36 36 LEU LEU A . n A 1 37 THR 37 37 37 THR THR A . n A 1 38 LYS 38 38 38 LYS LYS A . n A 1 39 LEU 39 39 39 LEU LEU A . n A 1 40 LYS 40 40 40 LYS LYS A . n A 1 41 TRP 41 41 41 TRP TRP A . n A 1 42 ASN 42 42 42 ASN ASN A . n A 1 43 LYS 43 43 43 LYS LYS A . n A 1 44 LEU 44 44 44 LEU LEU A . n A 1 45 LEU 45 45 45 LEU LEU A . n A 1 46 ALA 46 46 46 ALA ALA A . n A 1 47 ASN 47 47 47 ASN ASN A . n A 1 48 LYS 48 48 48 LYS LYS A . n A 1 49 ALA 49 49 49 ALA ALA A . n A 1 50 LYS 50 50 50 LYS LYS A . n A 1 51 GLN 51 51 51 GLN GLN A . n A 1 52 GLN 52 52 52 GLN GLN A . n A 1 53 ALA 53 53 53 ALA ALA A . n A 1 54 LYS 54 54 54 LYS LYS A . n A 1 55 ARG 55 55 55 ARG ARG A . n A 1 56 CYS 56 56 56 CYS CYS A . n A 1 57 LYS 57 57 57 LYS LYS A . n A 1 58 TYR 58 58 58 TYR TYR A . n A 1 59 ASP 59 59 59 ASP ASP A . n A 1 60 SER 60 60 60 SER SER A . n A 1 61 ASN 61 61 61 ASN ASN A . n A 1 62 ASP 62 62 62 ASP ASP A . n A 1 63 PRO 63 63 63 PRO PRO A . n A 1 64 ASN 64 64 64 ASN ASN A . n A 1 65 ASP 65 65 65 ASP ASP A . n A 1 66 PHE 66 66 66 PHE PHE A . n A 1 67 ILE 67 67 67 ILE ILE A . n A 1 68 ILE 68 68 68 ILE ILE A . n A 1 69 GLY 69 69 69 GLY GLY A . n A 1 70 ASP 70 70 70 ASP ASP A . n A 1 71 PHE 71 71 71 PHE PHE A . n A 1 72 GLU 72 72 72 GLU GLU A . n A 1 73 SER 73 73 73 SER SER A . n A 1 74 ILE 74 74 74 ILE ILE A . n A 1 75 GLY 75 75 75 GLY GLY A . n A 1 76 GLN 76 76 76 GLN GLN A . n A 1 77 ASN 77 77 77 ASN ASN A . n A 1 78 LEU 78 78 78 LEU LEU A . n A 1 79 ALA 79 79 79 ALA ALA A . n A 1 80 ASP 80 80 80 ASP ASP A . n A 1 81 TYR 81 81 81 TYR TYR A . n A 1 82 PRO 82 82 82 PRO PRO A . n A 1 83 THR 83 83 83 THR THR A . n A 1 84 ILE 84 84 84 ILE ILE A . n A 1 85 GLU 85 85 85 GLU GLU A . n A 1 86 GLY 86 86 86 GLY GLY A . n A 1 87 ALA 87 87 87 ALA ALA A . n A 1 88 MET 88 88 88 MET MET A . n A 1 89 LYS 89 89 89 LYS LYS A . n A 1 90 ASP 90 90 90 ASP ASP A . n A 1 91 TRP 91 91 91 TRP TRP A . n A 1 92 LEU 92 92 92 LEU LEU A . n A 1 93 GLU 93 93 93 GLU GLU A . n A 1 94 GLU 94 94 94 GLU GLU A . n A 1 95 TYR 95 95 95 TYR TYR A . n A 1 96 LYS 96 96 96 LYS LYS A . n A 1 97 ASN 97 97 97 ASN ASN A . n A 1 98 TYR 98 98 98 TYR TYR A . n A 1 99 ASN 99 99 99 ASN ASN A . n A 1 100 PHE 100 100 100 PHE PHE A . n A 1 101 GLU 101 101 101 GLU GLU A . n A 1 102 LYS 102 102 102 LYS LYS A . n A 1 103 ASN 103 103 103 ASN ASN A . n A 1 104 GLN 104 104 104 GLN GLN A . n A 1 105 CYS 105 105 105 CYS CYS A . n A 1 106 ASN 106 106 106 ASN ASN A . n A 1 107 GLY 107 107 107 GLY GLY A . n A 1 108 ASP 108 108 108 ASP ASP A . n A 1 109 CYS 109 109 109 CYS CYS A . n A 1 110 LYS 110 110 110 LYS LYS A . n A 1 111 ASN 111 111 111 ASN ASN A . n A 1 112 TYR 112 112 112 TYR TYR A . n A 1 113 LYS 113 113 113 LYS LYS A . n A 1 114 GLN 114 114 114 GLN GLN A . n A 1 115 MET 115 115 115 MET MET A . n A 1 116 VAL 116 116 116 VAL VAL A . n A 1 117 TRP 117 117 117 TRP TRP A . n A 1 118 ASN 118 118 118 ASN ASN A . n A 1 119 THR 119 119 119 THR THR A . n A 1 120 THR 120 120 120 THR THR A . n A 1 121 GLU 121 121 121 GLU GLU A . n A 1 122 GLU 122 122 122 GLU GLU A . n A 1 123 ILE 123 123 123 ILE ILE A . n A 1 124 GLY 124 124 124 GLY GLY A . n A 1 125 CYS 125 125 125 CYS CYS A . n A 1 126 GLY 126 126 126 GLY GLY A . n A 1 127 TYR 127 127 127 TYR TYR A . n A 1 128 GLU 128 128 128 GLU GLU A . n A 1 129 LYS 129 129 129 LYS LYS A . n A 1 130 CYS 130 130 130 CYS CYS A . n A 1 131 GLY 131 131 131 GLY GLY A . n A 1 132 LYS 132 132 132 LYS LYS A . n A 1 133 ASN 133 133 133 ASN ASN A . n A 1 134 TYR 134 134 134 TYR TYR A . n A 1 135 LEU 135 135 135 LEU LEU A . n A 1 136 ILE 136 136 136 ILE ILE A . n A 1 137 VAL 137 137 137 VAL VAL A . n A 1 138 CYS 138 138 138 CYS CYS A . n A 1 139 ASN 139 139 139 ASN ASN A . n A 1 140 TYR 140 140 140 TYR TYR A . n A 1 141 ALA 141 141 141 ALA ALA A . n A 1 142 PRO 142 142 142 PRO PRO A . n A 1 143 GLY 143 143 143 GLY GLY A . n A 1 144 ASP 144 144 144 ASP ASP A . n A 1 145 SER 145 145 145 SER SER A . n A 1 146 GLU 146 146 146 GLU GLU A . n A 1 147 ASP 147 147 147 ASP ASP A . n A 1 148 ARG 148 148 148 ARG ARG A . n A 1 149 PRO 149 149 149 PRO PRO A . n A 1 150 TYR 150 150 150 TYR TYR A . n A 1 151 GLU 151 151 151 GLU GLU A . n A 1 152 ALA 152 152 152 ALA ALA A . n A 1 153 LYS 153 153 153 LYS LYS A . n A 1 154 PRO 154 154 154 PRO PRO A . n A 1 155 GLU 155 155 155 GLU GLU A . n A 1 156 SER 156 156 156 SER SER A . n A 1 157 LYS 157 157 157 LYS LYS A . n A 1 158 CYS 158 158 158 CYS CYS A . n A 1 159 ASN 159 159 ? ? ? A . n A 1 160 LYS 160 160 ? ? ? A . n A 1 161 SER 161 161 ? ? ? A . n A 1 162 GLU 162 162 ? ? ? 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 NAG 1 201 201 NAG NAG A . C 3 HOH 1 301 301 HOH HOH A . C 3 HOH 2 302 302 HOH HOH A . C 3 HOH 3 303 304 HOH HOH A . C 3 HOH 4 304 305 HOH HOH A . C 3 HOH 5 305 308 HOH HOH A . C 3 HOH 6 306 307 HOH HOH A . C 3 HOH 7 307 311 HOH HOH A . C 3 HOH 8 308 313 HOH HOH A . C 3 HOH 9 309 318 HOH HOH A . C 3 HOH 10 310 306 HOH HOH A . C 3 HOH 11 311 309 HOH HOH A . C 3 HOH 12 312 319 HOH HOH A . C 3 HOH 13 313 312 HOH HOH A . C 3 HOH 14 314 316 HOH HOH A . C 3 HOH 15 315 323 HOH HOH A . C 3 HOH 16 316 315 HOH HOH A . C 3 HOH 17 317 320 HOH HOH A . C 3 HOH 18 318 322 HOH HOH A . C 3 HOH 19 319 324 HOH HOH A . C 3 HOH 20 320 325 HOH HOH A . C 3 HOH 21 321 326 HOH HOH A . C 3 HOH 22 322 327 HOH HOH A . C 3 HOH 23 323 328 HOH HOH A . C 3 HOH 24 324 329 HOH HOH A . C 3 HOH 25 325 330 HOH HOH A . C 3 HOH 26 326 331 HOH HOH A . C 3 HOH 27 327 332 HOH HOH A . C 3 HOH 28 328 333 HOH HOH A . C 3 HOH 29 329 334 HOH HOH A . C 3 HOH 30 330 335 HOH HOH A . C 3 HOH 31 331 336 HOH HOH A . C 3 HOH 32 332 337 HOH HOH A . C 3 HOH 33 333 338 HOH HOH A . C 3 HOH 34 334 339 HOH HOH A . C 3 HOH 35 335 340 HOH HOH A . C 3 HOH 36 336 341 HOH HOH A . C 3 HOH 37 337 343 HOH HOH A . C 3 HOH 38 338 344 HOH HOH A . C 3 HOH 39 339 345 HOH HOH A . C 3 HOH 40 340 346 HOH HOH A . C 3 HOH 41 341 347 HOH HOH A . C 3 HOH 42 342 348 HOH HOH A . C 3 HOH 43 343 349 HOH HOH A . C 3 HOH 44 344 350 HOH HOH A . C 3 HOH 45 345 351 HOH HOH A . C 3 HOH 46 346 352 HOH HOH A . C 3 HOH 47 347 353 HOH HOH A . C 3 HOH 48 348 355 HOH HOH A . C 3 HOH 49 349 356 HOH HOH A . C 3 HOH 50 350 358 HOH HOH A . C 3 HOH 51 351 359 HOH HOH A . C 3 HOH 52 352 360 HOH HOH A . C 3 HOH 53 353 362 HOH HOH A . C 3 HOH 54 354 363 HOH HOH A . C 3 HOH 55 355 364 HOH HOH A . C 3 HOH 56 356 365 HOH HOH A . C 3 HOH 57 357 366 HOH HOH A . C 3 HOH 58 358 367 HOH HOH A . C 3 HOH 59 359 368 HOH HOH A . C 3 HOH 60 360 369 HOH HOH A . C 3 HOH 61 361 370 HOH HOH A . C 3 HOH 62 362 371 HOH HOH A . C 3 HOH 63 363 372 HOH HOH A . C 3 HOH 64 364 373 HOH HOH A . C 3 HOH 65 365 374 HOH HOH A . C 3 HOH 66 366 375 HOH HOH A . # _pdbx_struct_mod_residue.id 1 _pdbx_struct_mod_residue.label_asym_id B _pdbx_struct_mod_residue.label_comp_id NAG _pdbx_struct_mod_residue.label_seq_id ? _pdbx_struct_mod_residue.auth_asym_id A _pdbx_struct_mod_residue.auth_comp_id NAG _pdbx_struct_mod_residue.auth_seq_id 201 _pdbx_struct_mod_residue.PDB_ins_code ? _pdbx_struct_mod_residue.parent_comp_id NAG _pdbx_struct_mod_residue.details -D # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details 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,C # _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 2014-08-06 2 'Structure model' 1 1 2014-09-24 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # _pdbx_audit_revision_group.ordinal 1 _pdbx_audit_revision_group.revision_ordinal 2 _pdbx_audit_revision_group.data_content_type 'Structure model' _pdbx_audit_revision_group.group 'Database references' # _software.citation_id ? _software.classification refinement _software.compiler_name . _software.compiler_version . _software.contact_author . _software.contact_author_email . _software.date . _software.description . _software.dependencies . _software.hardware . _software.language . _software.location . _software.mods . _software.name REFMAC _software.os . _software.os_version . _software.type . _software.version 5.8.0049 _software.pdbx_ordinal 1 # _pdbx_validate_rmsd_angle.id 1 _pdbx_validate_rmsd_angle.PDB_model_num 1 _pdbx_validate_rmsd_angle.auth_atom_id_1 CA _pdbx_validate_rmsd_angle.auth_asym_id_1 A _pdbx_validate_rmsd_angle.auth_comp_id_1 CYS _pdbx_validate_rmsd_angle.auth_seq_id_1 158 _pdbx_validate_rmsd_angle.PDB_ins_code_1 ? _pdbx_validate_rmsd_angle.label_alt_id_1 ? _pdbx_validate_rmsd_angle.auth_atom_id_2 CB _pdbx_validate_rmsd_angle.auth_asym_id_2 A _pdbx_validate_rmsd_angle.auth_comp_id_2 CYS _pdbx_validate_rmsd_angle.auth_seq_id_2 158 _pdbx_validate_rmsd_angle.PDB_ins_code_2 ? _pdbx_validate_rmsd_angle.label_alt_id_2 ? _pdbx_validate_rmsd_angle.auth_atom_id_3 SG _pdbx_validate_rmsd_angle.auth_asym_id_3 A _pdbx_validate_rmsd_angle.auth_comp_id_3 CYS _pdbx_validate_rmsd_angle.auth_seq_id_3 158 _pdbx_validate_rmsd_angle.PDB_ins_code_3 ? _pdbx_validate_rmsd_angle.label_alt_id_3 ? _pdbx_validate_rmsd_angle.angle_value 120.88 _pdbx_validate_rmsd_angle.angle_target_value 114.20 _pdbx_validate_rmsd_angle.angle_deviation 6.68 _pdbx_validate_rmsd_angle.angle_standard_deviation 1.10 _pdbx_validate_rmsd_angle.linker_flag N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 SER A 60 ? ? -153.10 -69.74 2 1 ASP A 62 ? ? 32.12 81.14 3 1 ASP A 147 ? ? -59.92 -178.04 # loop_ _pdbx_validate_peptide_omega.id _pdbx_validate_peptide_omega.PDB_model_num _pdbx_validate_peptide_omega.auth_comp_id_1 _pdbx_validate_peptide_omega.auth_asym_id_1 _pdbx_validate_peptide_omega.auth_seq_id_1 _pdbx_validate_peptide_omega.PDB_ins_code_1 _pdbx_validate_peptide_omega.label_alt_id_1 _pdbx_validate_peptide_omega.auth_comp_id_2 _pdbx_validate_peptide_omega.auth_asym_id_2 _pdbx_validate_peptide_omega.auth_seq_id_2 _pdbx_validate_peptide_omega.PDB_ins_code_2 _pdbx_validate_peptide_omega.label_alt_id_2 _pdbx_validate_peptide_omega.omega 1 1 SER A 60 ? ? ASN A 61 ? ? 125.92 2 1 ASN A 61 ? ? ASP A 62 ? ? 61.23 3 1 TYR A 134 ? ? LEU A 135 ? ? 147.76 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A GLU 1 ? A GLU 1 2 1 Y 1 A PHE 2 ? A PHE 2 3 1 Y 1 A LYS 3 ? A LYS 3 4 1 Y 1 A ASN 159 ? A ASN 159 5 1 Y 1 A LYS 160 ? A LYS 160 6 1 Y 1 A SER 161 ? A SER 161 7 1 Y 1 A GLU 162 ? A GLU 162 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 water HOH #