data_5J5K # _entry.id 5J5K # _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 5J5K WWPDB D_1000219932 # _pdbx_database_related.db_name PDB _pdbx_database_related.details 'SAME PROTEIN IN COMPLEX WITH ARACHIDONIC ACID' _pdbx_database_related.db_id 5J5L _pdbx_database_related.content_type unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5J5K _pdbx_database_status.recvd_initial_deposition_date 2016-04-03 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBJ _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Zhang, H.' 1 'Hao, Q.' 2 # _citation.abstract ? _citation.abstract_id_CAS ? _citation.book_id_ISBN ? _citation.book_publisher ? _citation.book_publisher_city ? _citation.book_title ? _citation.coordinate_linkage ? _citation.country ? _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev 'To Be Published' _citation.journal_id_ASTM ? _citation.journal_id_CSD 0353 _citation.journal_id_ISSN ? _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume ? _citation.language ? _citation.page_first ? _citation.page_last ? _citation.title ;A Novel Class Of Virulence Factors In Penicillium Marneffei And Aspergillus Fumigatus Enhances Intracellular Survival In Monocytes By Arachidonic Acid Binding ; _citation.year ? _citation.database_id_CSD ? _citation.pdbx_database_id_DOI ? _citation.pdbx_database_id_PubMed ? _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Zhang, H.' 1 primary 'Hao, Q.' 2 primary 'Lam, W.H.' 3 # _cell.angle_alpha 90.00 _cell.angle_alpha_esd ? _cell.angle_beta 90.00 _cell.angle_beta_esd ? _cell.angle_gamma 90.00 _cell.angle_gamma_esd ? _cell.entry_id 5J5K _cell.details ? _cell.formula_units_Z ? _cell.length_a 124.836 _cell.length_a_esd ? _cell.length_b 124.836 _cell.length_b_esd ? _cell.length_c 124.836 _cell.length_c_esd ? _cell.volume ? _cell.volume_esd ? _cell.Z_PDB 48 _cell.reciprocal_angle_alpha ? _cell.reciprocal_angle_beta ? _cell.reciprocal_angle_gamma ? _cell.reciprocal_angle_alpha_esd ? _cell.reciprocal_angle_beta_esd ? _cell.reciprocal_angle_gamma_esd ? _cell.reciprocal_length_a ? _cell.reciprocal_length_b ? _cell.reciprocal_length_c ? _cell.reciprocal_length_a_esd ? _cell.reciprocal_length_b_esd ? _cell.reciprocal_length_c_esd ? _cell.pdbx_unique_axis ? # _symmetry.entry_id 5J5K _symmetry.cell_setting ? _symmetry.Int_Tables_number 211 _symmetry.space_group_name_Hall ? _symmetry.space_group_name_H-M 'I 4 3 2' _symmetry.pdbx_full_space_group_name_H-M ? # 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 'Uncharacterized protein' 16915.633 1 ? ? 'UNP RESIDUES 38-194' ? 2 non-polymer man ALPHA-D-MANNOSE 180.156 1 ? ? ? ? 3 non-polymer syn 'PALMITIC ACID' 256.424 1 ? ? ? ? 4 water nat water 18.015 148 ? ? ? ? # _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 ;MGPLVARDAATILSDLSTIKTDINTLTQHFNEFTGDLLQALAAQAVEQQLESDIDQATADAKATSALSAADSTSVTNALL GLKPDIVTSLDAIVAKKPQVDSAGVGSLVLSDLNALQSKTDALSGALQDIATATDKDTIASGTQDIDAAFSSAIAVFSHH HHHH ; _entity_poly.pdbx_seq_one_letter_code_can ;MGPLVARDAATILSDLSTIKTDINTLTQHFNEFTGDLLQALAAQAVEQQLESDIDQATADAKATSALSAADSTSVTNALL GLKPDIVTSLDAIVAKKPQVDSAGVGSLVLSDLNALQSKTDALSGALQDIATATDKDTIASGTQDIDAAFSSAIAVFSHH HHHH ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 MET n 1 2 GLY n 1 3 PRO n 1 4 LEU n 1 5 VAL n 1 6 ALA n 1 7 ARG n 1 8 ASP n 1 9 ALA n 1 10 ALA n 1 11 THR n 1 12 ILE n 1 13 LEU n 1 14 SER n 1 15 ASP n 1 16 LEU n 1 17 SER n 1 18 THR n 1 19 ILE n 1 20 LYS n 1 21 THR n 1 22 ASP n 1 23 ILE n 1 24 ASN n 1 25 THR n 1 26 LEU n 1 27 THR n 1 28 GLN n 1 29 HIS n 1 30 PHE n 1 31 ASN n 1 32 GLU n 1 33 PHE n 1 34 THR n 1 35 GLY n 1 36 ASP n 1 37 LEU n 1 38 LEU n 1 39 GLN n 1 40 ALA n 1 41 LEU n 1 42 ALA n 1 43 ALA n 1 44 GLN n 1 45 ALA n 1 46 VAL n 1 47 GLU n 1 48 GLN n 1 49 GLN n 1 50 LEU n 1 51 GLU n 1 52 SER n 1 53 ASP n 1 54 ILE n 1 55 ASP n 1 56 GLN n 1 57 ALA n 1 58 THR n 1 59 ALA n 1 60 ASP n 1 61 ALA n 1 62 LYS n 1 63 ALA n 1 64 THR n 1 65 SER n 1 66 ALA n 1 67 LEU n 1 68 SER n 1 69 ALA n 1 70 ALA n 1 71 ASP n 1 72 SER n 1 73 THR n 1 74 SER n 1 75 VAL n 1 76 THR n 1 77 ASN n 1 78 ALA n 1 79 LEU n 1 80 LEU n 1 81 GLY n 1 82 LEU n 1 83 LYS n 1 84 PRO n 1 85 ASP n 1 86 ILE n 1 87 VAL n 1 88 THR n 1 89 SER n 1 90 LEU n 1 91 ASP n 1 92 ALA n 1 93 ILE n 1 94 VAL n 1 95 ALA n 1 96 LYS n 1 97 LYS n 1 98 PRO n 1 99 GLN n 1 100 VAL n 1 101 ASP n 1 102 SER n 1 103 ALA n 1 104 GLY n 1 105 VAL n 1 106 GLY n 1 107 SER n 1 108 LEU n 1 109 VAL n 1 110 LEU n 1 111 SER n 1 112 ASP n 1 113 LEU n 1 114 ASN n 1 115 ALA n 1 116 LEU n 1 117 GLN n 1 118 SER n 1 119 LYS n 1 120 THR n 1 121 ASP n 1 122 ALA n 1 123 LEU n 1 124 SER n 1 125 GLY n 1 126 ALA n 1 127 LEU n 1 128 GLN n 1 129 ASP n 1 130 ILE n 1 131 ALA n 1 132 THR n 1 133 ALA n 1 134 THR n 1 135 ASP n 1 136 LYS n 1 137 ASP n 1 138 THR n 1 139 ILE n 1 140 ALA n 1 141 SER n 1 142 GLY n 1 143 THR n 1 144 GLN n 1 145 ASP n 1 146 ILE n 1 147 ASP n 1 148 ALA n 1 149 ALA n 1 150 PHE n 1 151 SER n 1 152 SER n 1 153 ALA n 1 154 ILE n 1 155 ALA n 1 156 VAL n 1 157 PHE n 1 158 SER n 1 159 HIS n 1 160 HIS n 1 161 HIS n 1 162 HIS n 1 163 HIS n 1 164 HIS 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 164 _entity_src_gen.gene_src_common_name ? _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene AFUA_2G17630 _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain 'ATCC MYA-4609 / Af293 / CBS 101355 / FGSC A1100' _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 'Neosartorya fumigata (strain ATCC MYA-4609 / Af293 / CBS 101355 / FGSC A1100)' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 330879 _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 YEAST _entity_src_gen.pdbx_host_org_scientific_name 'PICHIA PASTORIS' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 638632 _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 X33 _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 PLASMID _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name PPIC9K _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code Q4WZA5_ASPFU _struct_ref.pdbx_db_accession Q4WZA5 _struct_ref.pdbx_db_isoform ? _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;GPLVARDAATILSDLSTIKTDINTLTQHFNEFTGDLLQALAAQAVEQQLESDIDQATADAKATSALSAADSTSVTNALLG LKPDIVTSLDAIVAKKPQVDSAGVGSLVLSDLNALQSKTDALSGALQDIATATDKDTIASGTQDIDAAFSSAIAVFS ; _struct_ref.pdbx_align_begin 38 # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 5J5K _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 2 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 158 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession Q4WZA5 _struct_ref_seq.db_align_beg 38 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 194 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 20 _struct_ref_seq.pdbx_auth_seq_align_end 176 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 5J5K MET A 1 ? UNP Q4WZA5 ? ? 'initiating methionine' 19 1 1 5J5K HIS A 159 ? UNP Q4WZA5 ? ? 'expression tag' 177 2 1 5J5K HIS A 160 ? UNP Q4WZA5 ? ? 'expression tag' 178 3 1 5J5K HIS A 161 ? UNP Q4WZA5 ? ? 'expression tag' 179 4 1 5J5K HIS A 162 ? UNP Q4WZA5 ? ? 'expression tag' 180 5 1 5J5K HIS A 163 ? UNP Q4WZA5 ? ? 'expression tag' 181 6 1 5J5K HIS A 164 ? UNP Q4WZA5 ? ? 'expression tag' 182 7 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PLM non-polymer . 'PALMITIC ACID' ? 'C16 H32 O2' 256.424 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 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 5J5K _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 2.40 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 48.66 _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, HANGING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH 6.5 _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 295 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details ;0.1M MES PH 6.5, 25% POLYETHYLENE GLYCOL 4000, 0.2M MGCL2, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K ; _exptl_crystal_grow.pdbx_pH_range 6.5 # _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 CCD _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'ADSC QUANTUM 315r' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2011-06-10 # _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 M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _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 0.97922 _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 SYNCHROTRON _diffrn_source.target ? _diffrn_source.type 'SSRF BEAMLINE BL17U' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 0.97922 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline BL17U _diffrn_source.pdbx_synchrotron_site SSRF # _reflns.B_iso_Wilson_estimate ? _reflns.entry_id 5J5K _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 1.950 _reflns.d_resolution_low 50.000 _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 12425 _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 99.8 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 21.700 _reflns.pdbx_Rmerge_I_obs 0.06100 _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 13.2000 _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.pdbx_CC_half ? _reflns.pdbx_R_split ? # _reflns_shell.d_res_high 1.95 _reflns_shell.d_res_low 2.02 _reflns_shell.meanI_over_sigI_all ? _reflns_shell.meanI_over_sigI_obs ? _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 100.0 _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 0.43300 _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 19.90 _reflns_shell.pdbx_Rsym_value ? _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 _reflns_shell.pdbx_CC_half ? _reflns_shell.pdbx_R_split ? # _refine.aniso_B[1][1] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][2] ? _refine.aniso_B[2][3] ? _refine.aniso_B[3][3] ? _refine.B_iso_max ? _refine.B_iso_mean 31.42 _refine.B_iso_min ? _refine.correlation_coeff_Fo_to_Fc 0.970 _refine.correlation_coeff_Fo_to_Fc_free 0.958 _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING' _refine.diff_density_max ? _refine.diff_density_max_esd ? _refine.diff_density_min ? _refine.diff_density_min_esd ? _refine.diff_density_rms ? _refine.diff_density_rms_esd ? _refine.entry_id 5J5K _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_abs_structure_details ? _refine.ls_abs_structure_Flack ? _refine.ls_abs_structure_Flack_esd ? _refine.ls_abs_structure_Rogers ? _refine.ls_abs_structure_Rogers_esd ? _refine.ls_d_res_high 1.95 _refine.ls_d_res_low 50.00 _refine.ls_extinction_coef ? _refine.ls_extinction_coef_esd ? _refine.ls_extinction_expression ? _refine.ls_extinction_method ? _refine.ls_goodness_of_fit_all ? _refine.ls_goodness_of_fit_all_esd ? _refine.ls_goodness_of_fit_obs ? _refine.ls_goodness_of_fit_obs_esd ? _refine.ls_hydrogen_treatment ? _refine.ls_matrix_type ? _refine.ls_number_constraints ? _refine.ls_number_parameters ? _refine.ls_number_reflns_all ? _refine.ls_number_reflns_obs 12420 _refine.ls_number_reflns_R_free 601 _refine.ls_number_reflns_R_work ? _refine.ls_number_restraints ? _refine.ls_percent_reflns_obs 99.7 _refine.ls_percent_reflns_R_free 4.800 _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.151 _refine.ls_R_factor_R_free 0.184 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_R_factor_R_work 0.149 _refine.ls_R_Fsqd_factor_obs ? _refine.ls_R_I_factor_obs ? _refine.ls_redundancy_reflns_all ? _refine.ls_redundancy_reflns_obs ? _refine.ls_restrained_S_all ? _refine.ls_restrained_S_obs ? _refine.ls_shift_over_esd_max ? _refine.ls_shift_over_esd_mean ? _refine.ls_structure_factor_coef ? _refine.ls_weighting_details ? _refine.ls_weighting_scheme ? _refine.ls_wR_factor_all ? _refine.ls_wR_factor_obs ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.occupancy_max ? _refine.occupancy_min ? _refine.solvent_model_details ? _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.ls_R_factor_gt ? _refine.ls_goodness_of_fit_gt ? _refine.ls_goodness_of_fit_ref ? _refine.ls_shift_over_su_max ? _refine.ls_shift_over_su_max_lt ? _refine.ls_shift_over_su_mean ? _refine.ls_shift_over_su_mean_lt ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 0.000 _refine.pdbx_ls_sigma_Fsqd ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_starting_model 3L1N _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_overall_ESU_R 0.127 _refine.pdbx_overall_ESU_R_Free 0.119 _refine.pdbx_solvent_vdw_probe_radii 1.40 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_real_space_R ? _refine.pdbx_density_correlation ? _refine.pdbx_pd_number_of_powder_patterns ? _refine.pdbx_pd_number_of_points ? _refine.pdbx_pd_meas_number_of_points ? _refine.pdbx_pd_proc_ls_prof_R_factor ? _refine.pdbx_pd_proc_ls_prof_wR_factor ? _refine.pdbx_pd_Marquardt_correlation_coeff ? _refine.pdbx_pd_Fsqrd_R_factor ? _refine.pdbx_pd_ls_matrix_band_width ? _refine.pdbx_overall_phase_error ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_diffrn_id 1 _refine.overall_SU_B 6.354 _refine.overall_SU_ML 0.084 _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_average_fsc_overall ? _refine.pdbx_average_fsc_work ? _refine.pdbx_average_fsc_free ? # _refine_analyze.entry_id 5J5K _refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_analyze.Luzzati_coordinate_error_free ? _refine_analyze.Luzzati_coordinate_error_obs ? _refine_analyze.Luzzati_d_res_low_free ? _refine_analyze.Luzzati_d_res_low_obs ? _refine_analyze.Luzzati_sigma_a_free ? _refine_analyze.Luzzati_sigma_a_free_details ? _refine_analyze.Luzzati_sigma_a_obs ? _refine_analyze.Luzzati_sigma_a_obs_details ? _refine_analyze.number_disordered_residues ? _refine_analyze.occupancy_sum_hydrogen ? _refine_analyze.occupancy_sum_non_hydrogen ? _refine_analyze.RG_d_res_high ? _refine_analyze.RG_d_res_low ? _refine_analyze.RG_free ? _refine_analyze.RG_work ? _refine_analyze.RG_free_work_ratio ? _refine_analyze.pdbx_Luzzati_d_res_high_obs ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 1077 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 29 _refine_hist.number_atoms_solvent 148 _refine_hist.number_atoms_total 1254 _refine_hist.d_res_high 1.95 _refine_hist.d_res_low 50.00 # loop_ _refine_ls_restr.pdbx_refine_id _refine_ls_restr.criterion _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.number _refine_ls_restr.rejects _refine_ls_restr.type _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function 'X-RAY DIFFRACTION' ? 0.010 0.022 1118 ? r_bond_refined_d ? ? 'X-RAY DIFFRACTION' ? 0.001 0.020 681 ? r_bond_other_d ? ? 'X-RAY DIFFRACTION' ? 0.968 1.991 1522 ? r_angle_refined_deg ? ? 'X-RAY DIFFRACTION' ? 0.871 3.000 1714 ? r_angle_other_deg ? ? 'X-RAY DIFFRACTION' ? 3.815 5.000 152 ? r_dihedral_angle_1_deg ? ? 'X-RAY DIFFRACTION' ? 37.074 28.780 41 ? r_dihedral_angle_2_deg ? ? 'X-RAY DIFFRACTION' ? 10.032 15.000 179 ? r_dihedral_angle_3_deg ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_dihedral_angle_4_deg ? ? 'X-RAY DIFFRACTION' ? 0.052 0.200 202 ? r_chiral_restr ? ? 'X-RAY DIFFRACTION' ? 0.003 0.020 1241 ? r_gen_planes_refined ? ? 'X-RAY DIFFRACTION' ? 0.001 0.020 171 ? 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' ? 1.572 5.000 753 ? r_mcbond_it ? ? 'X-RAY DIFFRACTION' ? 0.822 5.000 306 ? r_mcbond_other ? ? 'X-RAY DIFFRACTION' ? 2.240 5.000 1206 ? r_mcangle_it ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_mcangle_other ? ? 'X-RAY DIFFRACTION' ? 3.760 10.000 365 ? r_scbond_it ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_scbond_other ? ? 'X-RAY DIFFRACTION' ? 5.659 10.000 315 ? r_scangle_it ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_scangle_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_long_range_B_refined ? ? '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 ? ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.d_res_high 1.95 _refine_ls_shell.d_res_low 2.00 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.number_reflns_R_free 53 _refine_ls_shell.number_reflns_R_work 852 _refine_ls_shell.percent_reflns_obs 100.00 _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.R_factor_obs ? _refine_ls_shell.R_factor_R_free 0.2340 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.R_factor_R_work 0.1850 _refine_ls_shell.redundancy_reflns_all ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.wR_factor_all ? _refine_ls_shell.wR_factor_obs ? _refine_ls_shell.wR_factor_R_free ? _refine_ls_shell.wR_factor_R_work ? _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.pdbx_phase_error ? _refine_ls_shell.pdbx_fsc_work ? _refine_ls_shell.pdbx_fsc_free ? # _struct.entry_id 5J5K _struct.title 'CRYSTAL STRUCTURE OF AFMP4P IN COMPLEX WITH PALMITIC ACID' _struct.pdbx_descriptor 'Uncharacterized protein' _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 5J5K _struct_keywords.text 'VIRULENCE FACTOR, AFMP4, PALMITIC ACID, LIPID BINDING PROTEIN' _struct_keywords.pdbx_keywords 'LIPID BINDING PROTEIN' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 4 ? # 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 ASP A 8 ? PHE A 33 ? ASP A 26 PHE A 51 1 ? 26 HELX_P HELX_P2 AA2 ASP A 36 ? ALA A 63 ? ASP A 54 ALA A 81 1 ? 28 HELX_P HELX_P3 AA3 SER A 68 ? LEU A 82 ? SER A 86 LEU A 100 1 ? 15 HELX_P HELX_P4 AA4 LEU A 82 ? LYS A 96 ? LEU A 100 LYS A 114 1 ? 15 HELX_P HELX_P5 AA5 LYS A 96 ? GLY A 104 ? LYS A 114 GLY A 122 1 ? 9 HELX_P HELX_P6 AA6 VAL A 105 ? ALA A 131 ? VAL A 123 ALA A 149 1 ? 27 HELX_P HELX_P7 AA7 THR A 132 ? PHE A 157 ? THR A 150 PHE A 175 1 ? 26 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # _struct_conn.id covale1 _struct_conn.conn_type_id covale _struct_conn.pdbx_leaving_atom_flag one _struct_conn.pdbx_PDB_id ? _struct_conn.ptnr1_label_asym_id A _struct_conn.ptnr1_label_comp_id SER _struct_conn.ptnr1_label_seq_id 152 _struct_conn.ptnr1_label_atom_id OG _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 1_555 _struct_conn.ptnr2_label_asym_id B _struct_conn.ptnr2_label_comp_id MAN _struct_conn.ptnr2_label_seq_id . _struct_conn.ptnr2_label_atom_id C1 _struct_conn.pdbx_ptnr2_label_alt_id ? _struct_conn.pdbx_ptnr2_PDB_ins_code ? _struct_conn.ptnr1_auth_asym_id A _struct_conn.ptnr1_auth_comp_id SER _struct_conn.ptnr1_auth_seq_id 170 _struct_conn.ptnr2_auth_asym_id A _struct_conn.ptnr2_auth_comp_id MAN _struct_conn.ptnr2_auth_seq_id 201 _struct_conn.ptnr2_symmetry 1_555 _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 1.438 _struct_conn.pdbx_value_order ? # _struct_conn_type.id covale _struct_conn_type.criteria ? _struct_conn_type.reference ? # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software A PLM 202 ? 10 'binding site for residue PLM A 202' AC2 Software A MAN 201 ? 8 'binding site for Mono-Saccharide MAN A 201 bound to SER A 170' # 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 10 PHE A 30 ? PHE A 48 . ? 1_555 ? 2 AC1 10 ALA A 43 ? ALA A 61 . ? 1_555 ? 3 AC1 10 GLN A 44 ? GLN A 62 . ? 1_555 ? 4 AC1 10 ILE A 86 ? ILE A 104 . ? 1_555 ? 5 AC1 10 SER A 89 ? SER A 107 . ? 1_555 ? 6 AC1 10 LEU A 90 ? LEU A 108 . ? 1_555 ? 7 AC1 10 ASP A 112 ? ASP A 130 . ? 1_555 ? 8 AC1 10 LEU A 116 ? LEU A 134 . ? 1_555 ? 9 AC1 10 THR A 120 ? THR A 138 . ? 1_555 ? 10 AC1 10 HOH D . ? HOH A 317 . ? 1_555 ? 11 AC2 8 SER A 17 ? SER A 35 . ? 23_555 ? 12 AC2 8 VAL A 87 ? VAL A 105 . ? 1_555 ? 13 AC2 8 ASP A 91 ? ASP A 109 . ? 1_555 ? 14 AC2 8 VAL A 94 ? VAL A 112 . ? 1_555 ? 15 AC2 8 SER A 152 ? SER A 170 . ? 1_555 ? 16 AC2 8 HOH D . ? HOH A 315 . ? 1_555 ? 17 AC2 8 HOH D . ? HOH A 324 . ? 1_555 ? 18 AC2 8 HOH D . ? HOH A 352 . ? 1_555 ? # _database_PDB_matrix.entry_id 5J5K _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 5J5K _atom_sites.fract_transf_matrix[1][1] 0.008011 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.008011 _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] 0.008011 _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 # 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 . ASP A 1 8 ? 20.711 93.458 22.957 1.00 60.38 ? 26 ASP A N 1 ATOM 2 C CA . ASP A 1 8 ? 21.463 92.920 21.793 1.00 57.15 ? 26 ASP A CA 1 ATOM 3 C C . ASP A 1 8 ? 20.461 92.452 20.740 1.00 48.43 ? 26 ASP A C 1 ATOM 4 O O . ASP A 1 8 ? 19.610 91.598 21.017 1.00 44.67 ? 26 ASP A O 1 ATOM 5 C CB . ASP A 1 8 ? 22.357 91.765 22.250 1.00 61.10 ? 26 ASP A CB 1 ATOM 6 C CG . ASP A 1 8 ? 23.151 91.157 21.119 1.00 60.36 ? 26 ASP A CG 1 ATOM 7 O OD1 . ASP A 1 8 ? 22.689 90.143 20.552 1.00 62.17 ? 26 ASP A OD1 1 ATOM 8 O OD2 . ASP A 1 8 ? 24.230 91.684 20.795 1.00 72.07 ? 26 ASP A OD2 1 ATOM 9 N N . ALA A 1 9 ? 20.545 93.020 19.541 1.00 42.82 ? 27 ALA A N 1 ATOM 10 C CA . ALA A 1 9 ? 19.583 92.692 18.488 1.00 39.91 ? 27 ALA A CA 1 ATOM 11 C C . ALA A 1 9 ? 19.633 91.206 18.118 1.00 33.23 ? 27 ALA A C 1 ATOM 12 O O . ALA A 1 9 ? 18.600 90.612 17.892 1.00 29.81 ? 27 ALA A O 1 ATOM 13 C CB . ALA A 1 9 ? 19.808 93.557 17.251 1.00 39.27 ? 27 ALA A CB 1 ATOM 14 N N . ALA A 1 10 ? 20.829 90.614 18.071 1.00 34.44 ? 28 ALA A N 1 ATOM 15 C CA . ALA A 1 10 ? 20.963 89.194 17.687 1.00 34.55 ? 28 ALA A CA 1 ATOM 16 C C . ALA A 1 10 ? 20.225 88.249 18.645 1.00 32.27 ? 28 ALA A C 1 ATOM 17 O O . ALA A 1 10 ? 19.559 87.312 18.206 1.00 30.05 ? 28 ALA A O 1 ATOM 18 C CB . ALA A 1 10 ? 22.433 88.798 17.557 1.00 37.29 ? 28 ALA A CB 1 ATOM 19 N N . THR A 1 11 ? 20.325 88.517 19.942 1.00 33.61 ? 29 THR A N 1 ATOM 20 C CA . THR A 1 11 ? 19.604 87.741 20.950 1.00 34.21 ? 29 THR A CA 1 ATOM 21 C C . THR A 1 11 ? 18.087 87.848 20.761 1.00 29.82 ? 29 THR A C 1 ATOM 22 O O . THR A 1 11 ? 17.381 86.840 20.808 1.00 28.58 ? 29 THR A O 1 ATOM 23 C CB . THR A 1 11 ? 20.004 88.187 22.373 1.00 38.40 ? 29 THR A CB 1 ATOM 24 O OG1 . THR A 1 11 ? 21.425 88.076 22.516 1.00 40.57 ? 29 THR A OG1 1 ATOM 25 C CG2 . THR A 1 11 ? 19.327 87.317 23.442 1.00 40.74 ? 29 THR A CG2 1 ATOM 26 N N . ILE A 1 12 ? 17.594 89.063 20.543 1.00 28.97 ? 30 ILE A N 1 ATOM 27 C CA . ILE A 1 12 ? 16.160 89.281 20.281 1.00 27.74 ? 30 ILE A CA 1 ATOM 28 C C . ILE A 1 12 ? 15.727 88.509 19.024 1.00 26.97 ? 30 ILE A C 1 ATOM 29 O O . ILE A 1 12 ? 14.665 87.874 19.023 1.00 25.71 ? 30 ILE A O 1 ATOM 30 C CB . ILE A 1 12 ? 15.813 90.788 20.110 1.00 29.13 ? 30 ILE A CB 1 ATOM 31 C CG1 . ILE A 1 12 ? 16.099 91.561 21.396 1.00 29.94 ? 30 ILE A CG1 1 ATOM 32 C CG2 . ILE A 1 12 ? 14.329 90.975 19.695 1.00 27.86 ? 30 ILE A CG2 1 ATOM 33 C CD1 . ILE A 1 12 ? 16.080 93.075 21.234 1.00 34.85 ? 30 ILE A CD1 1 ATOM 34 N N . LEU A 1 13 ? 16.545 88.561 17.967 1.00 27.35 ? 31 LEU A N 1 ATOM 35 C CA . LEU A 1 13 ? 16.223 87.833 16.726 1.00 26.16 ? 31 LEU A CA 1 ATOM 36 C C . LEU A 1 13 ? 16.181 86.314 16.990 1.00 27.51 ? 31 LEU A C 1 ATOM 37 O O . LEU A 1 13 ? 15.261 85.614 16.527 1.00 25.28 ? 31 LEU A O 1 ATOM 38 C CB . LEU A 1 13 ? 17.203 88.177 15.602 1.00 27.38 ? 31 LEU A CB 1 ATOM 39 C CG . LEU A 1 13 ? 17.173 89.617 15.055 1.00 27.36 ? 31 LEU A CG 1 ATOM 40 C CD1 . LEU A 1 13 ? 18.305 89.859 14.064 1.00 25.53 ? 31 LEU A CD1 1 ATOM 41 C CD2 . LEU A 1 13 ? 15.858 89.915 14.393 1.00 29.93 ? 31 LEU A CD2 1 ATOM 42 N N . SER A 1 14 ? 17.154 85.817 17.759 1.00 25.12 ? 32 SER A N 1 ATOM 43 C CA . SER A 1 14 ? 17.152 84.418 18.137 1.00 29.09 ? 32 SER A CA 1 ATOM 44 C C . SER A 1 14 ? 15.882 84.087 18.939 1.00 26.42 ? 32 SER A C 1 ATOM 45 O O . SER A 1 14 ? 15.232 83.074 18.681 1.00 26.64 ? 32 SER A O 1 ATOM 46 C CB . SER A 1 14 ? 18.408 84.068 18.936 1.00 32.18 ? 32 SER A CB 1 ATOM 47 O OG . SER A 1 14 ? 18.487 82.668 19.130 1.00 39.26 ? 32 SER A OG 1 ATOM 48 N N . ASP A 1 15 ? 15.526 84.957 19.883 1.00 26.58 ? 33 ASP A N 1 ATOM 49 C CA . ASP A 1 15 ? 14.342 84.759 20.726 1.00 26.59 ? 33 ASP A CA 1 ATOM 50 C C . ASP A 1 15 ? 13.070 84.692 19.881 1.00 24.94 ? 33 ASP A C 1 ATOM 51 O O . ASP A 1 15 ? 12.196 83.841 20.103 1.00 23.46 ? 33 ASP A O 1 ATOM 52 C CB . ASP A 1 15 ? 14.180 85.906 21.727 1.00 27.58 ? 33 ASP A CB 1 ATOM 53 C CG . ASP A 1 15 ? 15.259 85.950 22.776 1.00 28.20 ? 33 ASP A CG 1 ATOM 54 O OD1 . ASP A 1 15 ? 16.030 84.978 22.918 1.00 34.52 ? 33 ASP A OD1 1 ATOM 55 O OD2 . ASP A 1 15 ? 15.322 86.972 23.493 1.00 31.06 ? 33 ASP A OD2 1 ATOM 56 N N . LEU A 1 16 ? 12.968 85.593 18.913 1.00 26.70 ? 34 LEU A N 1 ATOM 57 C CA . LEU A 1 16 ? 11.791 85.656 18.044 1.00 25.03 ? 34 LEU A CA 1 ATOM 58 C C . LEU A 1 16 ? 11.685 84.427 17.140 1.00 23.89 ? 34 LEU A C 1 ATOM 59 O O . LEU A 1 16 ? 10.573 83.968 16.848 1.00 25.00 ? 34 LEU A O 1 ATOM 60 C CB . LEU A 1 16 ? 11.770 86.960 17.234 1.00 24.85 ? 34 LEU A CB 1 ATOM 61 C CG . LEU A 1 16 ? 11.507 88.245 18.026 1.00 29.20 ? 34 LEU A CG 1 ATOM 62 C CD1 . LEU A 1 16 ? 11.739 89.457 17.149 1.00 26.18 ? 34 LEU A CD1 1 ATOM 63 C CD2 . LEU A 1 16 ? 10.075 88.298 18.609 1.00 24.34 ? 34 LEU A CD2 1 ATOM 64 N N . SER A 1 17 ? 12.825 83.879 16.719 1.00 24.15 ? 35 SER A N 1 ATOM 65 C CA . SER A 1 17 ? 12.841 82.643 15.930 1.00 23.22 ? 35 SER A CA 1 ATOM 66 C C . SER A 1 17 ? 12.320 81.460 16.757 1.00 26.29 ? 35 SER A C 1 ATOM 67 O O . SER A 1 17 ? 11.545 80.629 16.267 1.00 24.61 ? 35 SER A O 1 ATOM 68 C CB . SER A 1 17 ? 14.253 82.342 15.445 1.00 25.73 ? 35 SER A CB 1 ATOM 69 O OG . SER A 1 17 ? 14.273 81.174 14.650 1.00 24.91 ? 35 SER A OG 1 ATOM 70 N N . THR A 1 18 ? 12.759 81.385 18.010 1.00 25.60 ? 36 THR A N 1 ATOM 71 C CA . THR A 1 18 ? 12.315 80.330 18.912 1.00 26.61 ? 36 THR A CA 1 ATOM 72 C C . THR A 1 18 ? 10.805 80.426 19.108 1.00 22.62 ? 36 THR A C 1 ATOM 73 O O . THR A 1 18 ? 10.112 79.422 19.072 1.00 25.10 ? 36 THR A O 1 ATOM 74 C CB . THR A 1 18 ? 13.037 80.430 20.255 1.00 28.62 ? 36 THR A CB 1 ATOM 75 O OG1 . THR A 1 18 ? 14.441 80.221 20.035 1.00 29.06 ? 36 THR A OG1 1 ATOM 76 C CG2 . THR A 1 18 ? 12.498 79.396 21.253 1.00 28.42 ? 36 THR A CG2 1 ATOM 77 N N . ILE A 1 19 ? 10.304 81.643 19.300 1.00 23.90 ? 37 ILE A N 1 ATOM 78 C CA . ILE A 1 19 ? 8.862 81.869 19.413 1.00 22.32 ? 37 ILE A CA 1 ATOM 79 C C . ILE A 1 19 ? 8.118 81.336 18.170 1.00 24.54 ? 37 ILE A C 1 ATOM 80 O O . ILE A 1 19 ? 7.090 80.643 18.287 1.00 21.17 ? 37 ILE A O 1 ATOM 81 C CB . ILE A 1 19 ? 8.547 83.351 19.657 1.00 21.04 ? 37 ILE A CB 1 ATOM 82 C CG1 . ILE A 1 19 ? 8.993 83.758 21.067 1.00 21.79 ? 37 ILE A CG1 1 ATOM 83 C CG2 . ILE A 1 19 ? 7.026 83.641 19.496 1.00 21.31 ? 37 ILE A CG2 1 ATOM 84 C CD1 . ILE A 1 19 ? 8.945 85.293 21.307 1.00 20.65 ? 37 ILE A CD1 1 ATOM 85 N N . LYS A 1 20 ? 8.651 81.644 16.987 1.00 23.98 ? 38 LYS A N 1 ATOM 86 C CA . LYS A 1 20 ? 8.064 81.176 15.724 1.00 25.31 ? 38 LYS A CA 1 ATOM 87 C C . LYS A 1 20 ? 8.008 79.641 15.663 1.00 25.35 ? 38 LYS A C 1 ATOM 88 O O . LYS A 1 20 ? 6.991 79.074 15.262 1.00 25.05 ? 38 LYS A O 1 ATOM 89 C CB . LYS A 1 20 ? 8.856 81.719 14.541 1.00 27.85 ? 38 LYS A CB 1 ATOM 90 C CG . LYS A 1 20 ? 8.212 81.517 13.187 1.00 33.41 ? 38 LYS A CG 1 ATOM 91 C CD . LYS A 1 20 ? 9.123 82.081 12.082 1.00 36.48 ? 38 LYS A CD 1 ATOM 92 C CE . LYS A 1 20 ? 8.398 82.177 10.753 1.00 46.11 ? 38 LYS A CE 1 ATOM 93 N NZ . LYS A 1 20 ? 9.122 83.066 9.823 1.00 53.01 ? 38 LYS A NZ 1 ATOM 94 N N . THR A 1 21 ? 9.098 78.981 16.063 1.00 23.37 ? 39 THR A N 1 ATOM 95 C CA . THR A 1 21 ? 9.154 77.522 16.108 1.00 27.18 ? 39 THR A CA 1 ATOM 96 C C . THR A 1 21 ? 8.113 76.956 17.073 1.00 27.93 ? 39 THR A C 1 ATOM 97 O O . THR A 1 21 ? 7.401 75.995 16.749 1.00 27.02 ? 39 THR A O 1 ATOM 98 C CB . THR A 1 21 ? 10.562 77.051 16.511 1.00 30.86 ? 39 THR A CB 1 ATOM 99 O OG1 . THR A 1 21 ? 11.483 77.458 15.497 1.00 35.31 ? 39 THR A OG1 1 ATOM 100 C CG2 . THR A 1 21 ? 10.621 75.528 16.657 1.00 32.87 ? 39 THR A CG2 1 ATOM 101 N N . ASP A 1 22 ? 8.019 77.560 18.257 1.00 26.96 ? 40 ASP A N 1 ATOM 102 C CA . ASP A 1 22 ? 7.024 77.161 19.258 1.00 25.83 ? 40 ASP A CA 1 ATOM 103 C C . ASP A 1 22 ? 5.594 77.217 18.681 1.00 26.17 ? 40 ASP A C 1 ATOM 104 O O . ASP A 1 22 ? 4.810 76.270 18.824 1.00 25.29 ? 40 ASP A O 1 ATOM 105 C CB . ASP A 1 22 ? 7.051 78.096 20.478 1.00 24.10 ? 40 ASP A CB 1 ATOM 106 C CG . ASP A 1 22 ? 8.303 77.979 21.318 1.00 25.08 ? 40 ASP A CG 1 ATOM 107 O OD1 . ASP A 1 22 ? 9.048 76.987 21.212 1.00 25.33 ? 40 ASP A OD1 1 ATOM 108 O OD2 . ASP A 1 22 ? 8.530 78.918 22.122 1.00 29.55 ? 40 ASP A OD2 1 ATOM 109 N N . ILE A 1 23 ? 5.258 78.341 18.056 1.00 23.17 ? 41 ILE A N 1 ATOM 110 C CA . ILE A 1 23 ? 3.926 78.538 17.479 1.00 22.32 ? 41 ILE A CA 1 ATOM 111 C C . ILE A 1 23 ? 3.598 77.461 16.438 1.00 24.95 ? 41 ILE A C 1 ATOM 112 O O . ILE A 1 23 ? 2.508 76.892 16.439 1.00 23.65 ? 41 ILE A O 1 ATOM 113 C CB . ILE A 1 23 ? 3.787 79.925 16.831 1.00 23.03 ? 41 ILE A CB 1 ATOM 114 C CG1 . ILE A 1 23 ? 3.827 81.021 17.901 1.00 23.00 ? 41 ILE A CG1 1 ATOM 115 C CG2 . ILE A 1 23 ? 2.465 80.042 16.040 1.00 25.04 ? 41 ILE A CG2 1 ATOM 116 C CD1 . ILE A 1 23 ? 4.129 82.400 17.337 1.00 21.38 ? 41 ILE A CD1 1 ATOM 117 N N . ASN A 1 24 ? 4.536 77.196 15.540 1.00 26.42 ? 42 ASN A N 1 ATOM 118 C CA . ASN A 1 24 ? 4.291 76.221 14.492 1.00 30.43 ? 42 ASN A CA 1 ATOM 119 C C . ASN A 1 24 ? 4.194 74.786 15.039 1.00 29.88 ? 42 ASN A C 1 ATOM 120 O O . ASN A 1 24 ? 3.402 73.989 14.546 1.00 28.49 ? 42 ASN A O 1 ATOM 121 C CB . ASN A 1 24 ? 5.336 76.355 13.391 1.00 33.41 ? 42 ASN A CB 1 ATOM 122 C CG . ASN A 1 24 ? 5.233 77.712 12.661 1.00 40.30 ? 42 ASN A CG 1 ATOM 123 O OD1 . ASN A 1 24 ? 4.130 78.238 12.431 1.00 40.56 ? 42 ASN A OD1 1 ATOM 124 N ND2 . ASN A 1 24 ? 6.376 78.278 12.314 1.00 44.24 ? 42 ASN A ND2 1 ATOM 125 N N . THR A 1 25 ? 4.962 74.479 16.075 1.00 29.75 ? 43 THR A N 1 ATOM 126 C CA . THR A 1 25 ? 4.803 73.203 16.778 1.00 32.02 ? 43 THR A CA 1 ATOM 127 C C . THR A 1 25 ? 3.406 73.121 17.402 1.00 31.35 ? 43 THR A C 1 ATOM 128 O O . THR A 1 25 ? 2.725 72.101 17.264 1.00 30.13 ? 43 THR A O 1 ATOM 129 C CB . THR A 1 25 ? 5.913 72.991 17.825 1.00 33.59 ? 43 THR A CB 1 ATOM 130 O OG1 . THR A 1 25 ? 7.181 73.040 17.160 1.00 35.83 ? 43 THR A OG1 1 ATOM 131 C CG2 . THR A 1 25 ? 5.759 71.626 18.548 1.00 31.81 ? 43 THR A CG2 1 ATOM 132 N N . LEU A 1 26 ? 2.961 74.202 18.045 1.00 27.19 ? 44 LEU A N 1 ATOM 133 C CA . LEU A 1 26 ? 1.640 74.226 18.655 1.00 27.09 ? 44 LEU A CA 1 ATOM 134 C C . LEU A 1 26 ? 0.537 73.996 17.606 1.00 27.93 ? 44 LEU A C 1 ATOM 135 O O . LEU A 1 26 ? -0.421 73.260 17.848 1.00 27.71 ? 44 LEU A O 1 ATOM 136 C CB . LEU A 1 26 ? 1.427 75.543 19.404 1.00 25.02 ? 44 LEU A CB 1 ATOM 137 C CG . LEU A 1 26 ? 0.318 75.658 20.436 1.00 30.69 ? 44 LEU A CG 1 ATOM 138 C CD1 . LEU A 1 26 ? 0.464 74.637 21.561 1.00 26.21 ? 44 LEU A CD1 1 ATOM 139 C CD2 . LEU A 1 26 ? 0.298 77.098 21.001 1.00 28.53 ? 44 LEU A CD2 1 ATOM 140 N N . THR A 1 27 ? 0.690 74.604 16.431 1.00 28.43 ? 45 THR A N 1 ATOM 141 C CA . THR A 1 27 ? -0.252 74.409 15.319 1.00 28.03 ? 45 THR A CA 1 ATOM 142 C C . THR A 1 27 ? -0.352 72.941 14.893 1.00 31.87 ? 45 THR A C 1 ATOM 143 O O . THR A 1 27 ? -1.455 72.444 14.642 1.00 30.89 ? 45 THR A O 1 ATOM 144 C CB . THR A 1 27 ? 0.150 75.274 14.132 1.00 31.14 ? 45 THR A CB 1 ATOM 145 O OG1 . THR A 1 27 ? 0.135 76.645 14.547 1.00 28.40 ? 45 THR A OG1 1 ATOM 146 C CG2 . THR A 1 27 ? -0.791 75.078 12.931 1.00 28.79 ? 45 THR A CG2 1 ATOM 147 N N . GLN A 1 28 ? 0.790 72.253 14.817 1.00 31.52 ? 46 GLN A N 1 ATOM 148 C CA . GLN A 1 28 ? 0.802 70.809 14.514 1.00 35.06 ? 46 GLN A CA 1 ATOM 149 C C . GLN A 1 28 ? -0.008 70.019 15.540 1.00 32.68 ? 46 GLN A C 1 ATOM 150 O O . GLN A 1 28 ? -0.755 69.100 15.177 1.00 34.07 ? 46 GLN A O 1 ATOM 151 C CB . GLN A 1 28 ? 2.233 70.249 14.467 1.00 36.92 ? 46 GLN A CB 1 ATOM 152 C CG . GLN A 1 28 ? 3.123 70.867 13.399 1.00 47.36 ? 46 GLN A CG 1 ATOM 153 C CD . GLN A 1 28 ? 4.518 70.239 13.344 1.00 59.66 ? 46 GLN A CD 1 ATOM 154 O OE1 . GLN A 1 28 ? 4.736 69.119 13.821 1.00 66.69 ? 46 GLN A OE1 1 ATOM 155 N NE2 . GLN A 1 28 ? 5.464 70.959 12.747 1.00 63.63 ? 46 GLN A NE2 1 ATOM 156 N N . HIS A 1 29 ? 0.146 70.371 16.819 1.00 30.23 ? 47 HIS A N 1 ATOM 157 C CA . HIS A 1 29 ? -0.618 69.732 17.881 1.00 31.81 ? 47 HIS A CA 1 ATOM 158 C C . HIS A 1 29 ? -2.112 69.956 17.674 1.00 29.93 ? 47 HIS A C 1 ATOM 159 O O . HIS A 1 29 ? -2.892 69.013 17.754 1.00 31.56 ? 47 HIS A O 1 ATOM 160 C CB . HIS A 1 29 ? -0.177 70.213 19.283 1.00 29.44 ? 47 HIS A CB 1 ATOM 161 C CG . HIS A 1 29 ? 1.086 69.567 19.773 1.00 32.89 ? 47 HIS A CG 1 ATOM 162 N ND1 . HIS A 1 29 ? 1.088 68.483 20.627 1.00 35.66 ? 47 HIS A ND1 1 ATOM 163 C CD2 . HIS A 1 29 ? 2.387 69.841 19.516 1.00 34.50 ? 47 HIS A CD2 1 ATOM 164 C CE1 . HIS A 1 29 ? 2.335 68.117 20.872 1.00 34.39 ? 47 HIS A CE1 1 ATOM 165 N NE2 . HIS A 1 29 ? 3.143 68.932 20.218 1.00 35.65 ? 47 HIS A NE2 1 ATOM 166 N N . PHE A 1 30 ? -2.508 71.196 17.396 1.00 29.50 ? 48 PHE A N 1 ATOM 167 C CA . PHE A 1 30 ? -3.911 71.501 17.130 1.00 29.73 ? 48 PHE A CA 1 ATOM 168 C C . PHE A 1 30 ? -4.467 70.688 15.959 1.00 32.16 ? 48 PHE A C 1 ATOM 169 O O . PHE A 1 30 ? -5.556 70.133 16.042 1.00 29.49 ? 48 PHE A O 1 ATOM 170 C CB . PHE A 1 30 ? -4.106 72.981 16.803 1.00 29.86 ? 48 PHE A CB 1 ATOM 171 C CG . PHE A 1 30 ? -3.715 73.917 17.913 1.00 28.92 ? 48 PHE A CG 1 ATOM 172 C CD1 . PHE A 1 30 ? -3.756 73.519 19.254 1.00 25.03 ? 48 PHE A CD1 1 ATOM 173 C CD2 . PHE A 1 30 ? -3.341 75.215 17.619 1.00 27.36 ? 48 PHE A CD2 1 ATOM 174 C CE1 . PHE A 1 30 ? -3.401 74.393 20.260 1.00 24.18 ? 48 PHE A CE1 1 ATOM 175 C CE2 . PHE A 1 30 ? -2.995 76.096 18.629 1.00 27.91 ? 48 PHE A CE2 1 ATOM 176 C CZ . PHE A 1 30 ? -3.026 75.678 19.953 1.00 23.94 ? 48 PHE A CZ 1 ATOM 177 N N . ASN A 1 31 ? -3.720 70.626 14.864 1.00 33.73 ? 49 ASN A N 1 ATOM 178 C CA . ASN A 1 31 ? -4.205 69.915 13.677 1.00 36.19 ? 49 ASN A CA 1 ATOM 179 C C . ASN A 1 31 ? -4.392 68.410 13.899 1.00 38.97 ? 49 ASN A C 1 ATOM 180 O O . ASN A 1 31 ? -5.223 67.794 13.238 1.00 42.93 ? 49 ASN A O 1 ATOM 181 C CB . ASN A 1 31 ? -3.289 70.189 12.478 1.00 39.12 ? 49 ASN A CB 1 ATOM 182 C CG . ASN A 1 31 ? -3.392 71.627 11.988 1.00 39.13 ? 49 ASN A CG 1 ATOM 183 O OD1 . ASN A 1 31 ? -4.452 72.246 12.067 1.00 39.90 ? 49 ASN A OD1 1 ATOM 184 N ND2 . ASN A 1 31 ? -2.293 72.160 11.478 1.00 40.97 ? 49 ASN A ND2 1 ATOM 185 N N . GLU A 1 32 ? -3.644 67.833 14.837 1.00 38.04 ? 50 GLU A N 1 ATOM 186 C CA . GLU A 1 32 ? -3.765 66.407 15.181 1.00 43.06 ? 50 GLU A CA 1 ATOM 187 C C . GLU A 1 32 ? -4.704 66.126 16.347 1.00 39.59 ? 50 GLU A C 1 ATOM 188 O O . GLU A 1 32 ? -4.963 64.972 16.657 1.00 40.95 ? 50 GLU A O 1 ATOM 189 C CB . GLU A 1 32 ? -2.393 65.832 15.525 1.00 45.43 ? 50 GLU A CB 1 ATOM 190 C CG . GLU A 1 32 ? -1.406 65.872 14.366 1.00 56.51 ? 50 GLU A CG 1 ATOM 191 C CD . GLU A 1 32 ? 0.020 65.563 14.795 1.00 66.35 ? 50 GLU A CD 1 ATOM 192 O OE1 . GLU A 1 32 ? 0.216 65.126 15.957 1.00 71.67 ? 50 GLU A OE1 1 ATOM 193 O OE2 . GLU A 1 32 ? 0.941 65.764 13.969 1.00 71.74 ? 50 GLU A OE2 1 ATOM 194 N N . PHE A 1 33 ? -5.208 67.167 17.001 1.00 35.60 ? 51 PHE A N 1 ATOM 195 C CA . PHE A 1 33 ? -6.076 66.993 18.175 1.00 35.51 ? 51 PHE A CA 1 ATOM 196 C C . PHE A 1 33 ? -7.403 66.311 17.805 1.00 36.23 ? 51 PHE A C 1 ATOM 197 O O . PHE A 1 33 ? -8.102 66.750 16.887 1.00 39.20 ? 51 PHE A O 1 ATOM 198 C CB . PHE A 1 33 ? -6.315 68.362 18.826 1.00 31.10 ? 51 PHE A CB 1 ATOM 199 C CG . PHE A 1 33 ? -7.081 68.320 20.127 1.00 34.17 ? 51 PHE A CG 1 ATOM 200 C CD1 . PHE A 1 33 ? -6.668 67.514 21.178 1.00 36.55 ? 51 PHE A CD1 1 ATOM 201 C CD2 . PHE A 1 33 ? -8.200 69.132 20.311 1.00 35.25 ? 51 PHE A CD2 1 ATOM 202 C CE1 . PHE A 1 33 ? -7.362 67.503 22.381 1.00 37.26 ? 51 PHE A CE1 1 ATOM 203 C CE2 . PHE A 1 33 ? -8.902 69.119 21.506 1.00 34.64 ? 51 PHE A CE2 1 ATOM 204 C CZ . PHE A 1 33 ? -8.483 68.298 22.544 1.00 37.56 ? 51 PHE A CZ 1 ATOM 205 N N . THR A 1 34 ? -7.728 65.231 18.514 1.00 37.42 ? 52 THR A N 1 ATOM 206 C CA . THR A 1 34 ? -8.997 64.516 18.344 1.00 42.54 ? 52 THR A CA 1 ATOM 207 C C . THR A 1 34 ? -9.903 64.566 19.585 1.00 42.82 ? 52 THR A C 1 ATOM 208 O O . THR A 1 34 ? -10.908 63.835 19.658 1.00 46.39 ? 52 THR A O 1 ATOM 209 C CB . THR A 1 34 ? -8.727 63.028 18.004 1.00 44.86 ? 52 THR A CB 1 ATOM 210 O OG1 . THR A 1 34 ? -8.007 62.424 19.085 1.00 49.97 ? 52 THR A OG1 1 ATOM 211 C CG2 . THR A 1 34 ? -7.912 62.905 16.722 1.00 49.42 ? 52 THR A CG2 1 ATOM 212 N N . GLY A 1 35 ? -9.551 65.394 20.569 1.00 41.32 ? 53 GLY A N 1 ATOM 213 C CA . GLY A 1 35 ? -10.332 65.511 21.815 1.00 42.12 ? 53 GLY A CA 1 ATOM 214 C C . GLY A 1 35 ? -9.838 64.684 23.000 1.00 43.83 ? 53 GLY A C 1 ATOM 215 O O . GLY A 1 35 ? -10.530 64.576 24.015 1.00 46.23 ? 53 GLY A O 1 ATOM 216 N N . ASP A 1 36 ? -8.654 64.092 22.863 1.00 43.86 ? 54 ASP A N 1 ATOM 217 C CA . ASP A 1 36 ? -8.031 63.275 23.906 1.00 43.25 ? 54 ASP A CA 1 ATOM 218 C C . ASP A 1 36 ? -7.285 64.180 24.901 1.00 41.72 ? 54 ASP A C 1 ATOM 219 O O . ASP A 1 36 ? -6.511 65.052 24.488 1.00 38.55 ? 54 ASP A O 1 ATOM 220 C CB . ASP A 1 36 ? -7.050 62.306 23.235 1.00 47.77 ? 54 ASP A CB 1 ATOM 221 C CG . ASP A 1 36 ? -6.462 61.289 24.190 1.00 54.23 ? 54 ASP A CG 1 ATOM 222 O OD1 . ASP A 1 36 ? -7.104 60.246 24.420 1.00 59.89 ? 54 ASP A OD1 1 ATOM 223 O OD2 . ASP A 1 36 ? -5.334 61.513 24.673 1.00 59.00 ? 54 ASP A OD2 1 ATOM 224 N N . LEU A 1 37 ? -7.499 63.959 26.202 1.00 39.65 ? 55 LEU A N 1 ATOM 225 C CA . LEU A 1 37 ? -6.865 64.773 27.244 1.00 39.11 ? 55 LEU A CA 1 ATOM 226 C C . LEU A 1 37 ? -5.341 64.705 27.272 1.00 38.40 ? 55 LEU A C 1 ATOM 227 O O . LEU A 1 37 ? -4.691 65.711 27.568 1.00 35.32 ? 55 LEU A O 1 ATOM 228 C CB . LEU A 1 37 ? -7.399 64.421 28.643 1.00 40.80 ? 55 LEU A CB 1 ATOM 229 C CG . LEU A 1 37 ? -8.582 65.217 29.170 1.00 41.75 ? 55 LEU A CG 1 ATOM 230 C CD1 . LEU A 1 37 ? -8.872 64.768 30.604 1.00 45.90 ? 55 LEU A CD1 1 ATOM 231 C CD2 . LEU A 1 37 ? -8.348 66.723 29.115 1.00 37.15 ? 55 LEU A CD2 1 ATOM 232 N N . LEU A 1 38 ? -4.770 63.531 27.000 1.00 40.31 ? 56 LEU A N 1 ATOM 233 C CA . LEU A 1 38 ? -3.308 63.408 26.906 1.00 41.24 ? 56 LEU A CA 1 ATOM 234 C C . LEU A 1 38 ? -2.754 64.262 25.764 1.00 38.16 ? 56 LEU A C 1 ATOM 235 O O . LEU A 1 38 ? -1.670 64.822 25.892 1.00 36.29 ? 56 LEU A O 1 ATOM 236 C CB . LEU A 1 38 ? -2.848 61.946 26.738 1.00 42.99 ? 56 LEU A CB 1 ATOM 237 C CG . LEU A 1 38 ? -2.711 61.121 28.015 1.00 50.91 ? 56 LEU A CG 1 ATOM 238 C CD1 . LEU A 1 38 ? -2.488 59.644 27.696 1.00 50.57 ? 56 LEU A CD1 1 ATOM 239 C CD2 . LEU A 1 38 ? -1.576 61.658 28.872 1.00 54.81 ? 56 LEU A CD2 1 ATOM 240 N N . GLN A 1 39 ? -3.488 64.350 24.655 1.00 37.90 ? 57 GLN A N 1 ATOM 241 C CA . GLN A 1 39 ? -3.116 65.272 23.570 1.00 36.94 ? 57 GLN A CA 1 ATOM 242 C C . GLN A 1 39 ? -3.150 66.719 24.056 1.00 33.21 ? 57 GLN A C 1 ATOM 243 O O . GLN A 1 39 ? -2.217 67.498 23.806 1.00 30.46 ? 57 GLN A O 1 ATOM 244 C CB . GLN A 1 39 ? -4.050 65.127 22.371 1.00 39.16 ? 57 GLN A CB 1 ATOM 245 C CG . GLN A 1 39 ? -3.894 63.831 21.601 1.00 43.98 ? 57 GLN A CG 1 ATOM 246 C CD . GLN A 1 39 ? -4.823 63.771 20.414 1.00 47.61 ? 57 GLN A CD 1 ATOM 247 O OE1 . GLN A 1 39 ? -5.972 64.199 20.488 1.00 40.49 ? 57 GLN A OE1 1 ATOM 248 N NE2 . GLN A 1 39 ? -4.328 63.242 19.306 1.00 58.30 ? 57 GLN A NE2 1 ATOM 249 N N . ALA A 1 40 ? -4.228 67.077 24.750 1.00 31.35 ? 58 ALA A N 1 ATOM 250 C CA . ALA A 1 40 ? -4.347 68.414 25.338 1.00 29.63 ? 58 ALA A CA 1 ATOM 251 C C . ALA A 1 40 ? -3.178 68.735 26.269 1.00 30.01 ? 58 ALA A C 1 ATOM 252 O O . ALA A 1 40 ? -2.654 69.856 26.241 1.00 30.02 ? 58 ALA A O 1 ATOM 253 C CB . ALA A 1 40 ? -5.662 68.553 26.090 1.00 29.12 ? 58 ALA A CB 1 ATOM 254 N N . LEU A 1 41 ? -2.786 67.769 27.100 1.00 31.91 ? 59 LEU A N 1 ATOM 255 C CA . LEU A 1 41 ? -1.651 67.954 28.006 1.00 35.73 ? 59 LEU A CA 1 ATOM 256 C C . LEU A 1 41 ? -0.353 68.203 27.235 1.00 34.28 ? 59 LEU A C 1 ATOM 257 O O . LEU A 1 41 ? 0.426 69.098 27.592 1.00 31.68 ? 59 LEU A O 1 ATOM 258 C CB . LEU A 1 41 ? -1.471 66.734 28.912 1.00 39.24 ? 59 LEU A CB 1 ATOM 259 C CG . LEU A 1 41 ? -0.289 66.789 29.887 1.00 46.45 ? 59 LEU A CG 1 ATOM 260 C CD1 . LEU A 1 41 ? -0.459 67.949 30.872 1.00 55.80 ? 59 LEU A CD1 1 ATOM 261 C CD2 . LEU A 1 41 ? -0.128 65.468 30.628 1.00 49.76 ? 59 LEU A CD2 1 ATOM 262 N N . ALA A 1 42 ? -0.121 67.401 26.195 1.00 33.05 ? 60 ALA A N 1 ATOM 263 C CA . ALA A 1 42 ? 1.072 67.552 25.361 1.00 34.95 ? 60 ALA A CA 1 ATOM 264 C C . ALA A 1 42 ? 1.112 68.927 24.722 1.00 30.15 ? 60 ALA A C 1 ATOM 265 O O . ALA A 1 42 ? 2.165 69.572 24.707 1.00 32.82 ? 60 ALA A O 1 ATOM 266 C CB . ALA A 1 42 ? 1.141 66.455 24.288 1.00 34.72 ? 60 ALA A CB 1 ATOM 267 N N . ALA A 1 43 ? -0.033 69.368 24.193 1.00 28.00 ? 61 ALA A N 1 ATOM 268 C CA . ALA A 1 43 ? -0.147 70.686 23.592 1.00 26.50 ? 61 ALA A CA 1 ATOM 269 C C . ALA A 1 43 ? 0.099 71.789 24.625 1.00 25.62 ? 61 ALA A C 1 ATOM 270 O O . ALA A 1 43 ? 0.753 72.802 24.338 1.00 23.66 ? 61 ALA A O 1 ATOM 271 C CB . ALA A 1 43 ? -1.536 70.866 22.920 1.00 26.31 ? 61 ALA A CB 1 ATOM 272 N N . GLN A 1 44 ? -0.418 71.590 25.827 1.00 24.95 ? 62 GLN A N 1 ATOM 273 C CA . GLN A 1 44 ? -0.244 72.559 26.893 1.00 25.24 ? 62 GLN A CA 1 ATOM 274 C C . GLN A 1 44 ? 1.228 72.736 27.293 1.00 26.56 ? 62 GLN A C 1 ATOM 275 O O . GLN A 1 44 ? 1.643 73.841 27.652 1.00 24.71 ? 62 GLN A O 1 ATOM 276 C CB . GLN A 1 44 ? -1.083 72.183 28.106 1.00 26.35 ? 62 GLN A CB 1 ATOM 277 C CG . GLN A 1 44 ? -1.009 73.209 29.254 1.00 25.04 ? 62 GLN A CG 1 ATOM 278 C CD . GLN A 1 44 ? -1.621 74.546 28.891 1.00 24.50 ? 62 GLN A CD 1 ATOM 279 O OE1 . GLN A 1 44 ? -2.302 74.674 27.871 1.00 25.28 ? 62 GLN A OE1 1 ATOM 280 N NE2 . GLN A 1 44 ? -1.404 75.549 29.741 1.00 26.07 ? 62 GLN A NE2 1 ATOM 281 N N . ALA A 1 45 ? 2.007 71.660 27.240 1.00 26.49 ? 63 ALA A N 1 ATOM 282 C CA . ALA A 1 45 ? 3.436 71.746 27.513 1.00 29.02 ? 63 ALA A CA 1 ATOM 283 C C . ALA A 1 45 ? 4.123 72.677 26.499 1.00 28.08 ? 63 ALA A C 1 ATOM 284 O O . ALA A 1 45 ? 4.965 73.508 26.874 1.00 28.01 ? 63 ALA A O 1 ATOM 285 C CB . ALA A 1 45 ? 4.073 70.354 27.492 1.00 31.59 ? 63 ALA A CB 1 ATOM 286 N N . VAL A 1 46 ? 3.733 72.563 25.230 1.00 28.39 ? 64 VAL A N 1 ATOM 287 C CA . VAL A 1 46 ? 4.255 73.448 24.174 1.00 26.65 ? 64 VAL A CA 1 ATOM 288 C C . VAL A 1 46 ? 3.805 74.885 24.407 1.00 25.64 ? 64 VAL A C 1 ATOM 289 O O . VAL A 1 46 ? 4.607 75.824 24.299 1.00 23.94 ? 64 VAL A O 1 ATOM 290 C CB . VAL A 1 46 ? 3.835 72.976 22.759 1.00 26.88 ? 64 VAL A CB 1 ATOM 291 C CG1 . VAL A 1 46 ? 4.407 73.920 21.666 1.00 24.37 ? 64 VAL A CG1 1 ATOM 292 C CG2 . VAL A 1 46 ? 4.313 71.538 22.521 1.00 28.09 ? 64 VAL A CG2 1 ATOM 293 N N . GLU A 1 47 ? 2.534 75.052 24.758 1.00 22.47 ? 65 GLU A N 1 ATOM 294 C CA . GLU A 1 47 ? 1.989 76.365 25.072 1.00 20.27 ? 65 GLU A CA 1 ATOM 295 C C . GLU A 1 47 ? 2.722 77.043 26.234 1.00 23.51 ? 65 GLU A C 1 ATOM 296 O O . GLU A 1 47 ? 2.963 78.252 26.181 1.00 24.03 ? 65 GLU A O 1 ATOM 297 C CB . GLU A 1 47 ? 0.487 76.277 25.352 1.00 22.50 ? 65 GLU A CB 1 ATOM 298 C CG . GLU A 1 47 ? -0.213 77.639 25.502 1.00 23.78 ? 65 GLU A CG 1 ATOM 299 C CD . GLU A 1 47 ? -0.037 78.305 26.868 1.00 25.53 ? 65 GLU A CD 1 ATOM 300 O OE1 . GLU A 1 47 ? 0.358 77.632 27.844 1.00 23.24 ? 65 GLU A OE1 1 ATOM 301 O OE2 . GLU A 1 47 ? -0.334 79.510 26.973 1.00 23.80 ? 65 GLU A OE2 1 ATOM 302 N N . GLN A 1 48 ? 3.076 76.282 27.268 1.00 23.18 ? 66 GLN A N 1 ATOM 303 C CA . GLN A 1 48 ? 3.814 76.843 28.410 1.00 25.87 ? 66 GLN A CA 1 ATOM 304 C C . GLN A 1 48 ? 5.265 77.212 28.042 1.00 26.50 ? 66 GLN A C 1 ATOM 305 O O . GLN A 1 48 ? 5.815 78.213 28.540 1.00 28.03 ? 66 GLN A O 1 ATOM 306 C CB . GLN A 1 48 ? 3.773 75.891 29.609 1.00 27.50 ? 66 GLN A CB 1 ATOM 307 C CG . GLN A 1 48 ? 2.372 75.793 30.253 1.00 28.81 ? 66 GLN A CG 1 ATOM 308 C CD . GLN A 1 48 ? 2.022 77.033 31.070 1.00 31.82 ? 66 GLN A CD 1 ATOM 309 O OE1 . GLN A 1 48 ? 1.215 77.881 30.657 1.00 30.77 ? 66 GLN A OE1 1 ATOM 310 N NE2 . GLN A 1 48 ? 2.658 77.158 32.216 1.00 28.65 ? 66 GLN A NE2 1 ATOM 311 N N . GLN A 1 49 ? 5.873 76.416 27.166 1.00 27.81 ? 67 GLN A N 1 ATOM 312 C CA . GLN A 1 49 ? 7.189 76.748 26.601 1.00 27.39 ? 67 GLN A CA 1 ATOM 313 C C . GLN A 1 49 ? 7.095 78.045 25.818 1.00 25.68 ? 67 GLN A C 1 ATOM 314 O O . GLN A 1 49 ? 7.987 78.894 25.909 1.00 25.35 ? 67 GLN A O 1 ATOM 315 C CB . GLN A 1 49 ? 7.699 75.613 25.705 1.00 29.46 ? 67 GLN A CB 1 ATOM 316 C CG . GLN A 1 49 ? 9.138 75.773 25.217 1.00 33.85 ? 67 GLN A CG 1 ATOM 317 C CD . GLN A 1 49 ? 10.129 75.890 26.353 1.00 41.22 ? 67 GLN A CD 1 ATOM 318 O OE1 . GLN A 1 49 ? 10.309 74.955 27.116 1.00 39.27 ? 67 GLN A OE1 1 ATOM 319 N NE2 . GLN A 1 49 ? 10.777 77.045 26.470 1.00 42.01 ? 67 GLN A NE2 1 ATOM 320 N N . LEU A 1 50 ? 6.005 78.207 25.070 1.00 23.82 ? 68 LEU A N 1 ATOM 321 C CA . LEU A 1 50 ? 5.771 79.413 24.278 1.00 23.64 ? 68 LEU A CA 1 ATOM 322 C C . LEU A 1 50 ? 5.633 80.635 25.186 1.00 24.95 ? 68 LEU A C 1 ATOM 323 O O . LEU A 1 50 ? 6.259 81.665 24.925 1.00 22.21 ? 68 LEU A O 1 ATOM 324 C CB . LEU A 1 50 ? 4.531 79.266 23.394 1.00 22.80 ? 68 LEU A CB 1 ATOM 325 C CG . LEU A 1 50 ? 4.034 80.497 22.637 1.00 24.12 ? 68 LEU A CG 1 ATOM 326 C CD1 . LEU A 1 50 ? 5.159 81.075 21.734 1.00 20.85 ? 68 LEU A CD1 1 ATOM 327 C CD2 . LEU A 1 50 ? 2.784 80.158 21.827 1.00 21.74 ? 68 LEU A CD2 1 ATOM 328 N N . GLU A 1 51 ? 4.848 80.516 26.257 1.00 22.63 ? 69 GLU A N 1 ATOM 329 C CA . GLU A 1 51 ? 4.744 81.601 27.238 1.00 24.73 ? 69 GLU A CA 1 ATOM 330 C C . GLU A 1 51 ? 6.118 82.007 27.783 1.00 24.88 ? 69 GLU A C 1 ATOM 331 O O . GLU A 1 51 ? 6.445 83.194 27.861 1.00 23.92 ? 69 GLU A O 1 ATOM 332 C CB . GLU A 1 51 ? 3.829 81.219 28.408 1.00 25.35 ? 69 GLU A CB 1 ATOM 333 C CG . GLU A 1 51 ? 2.328 81.124 28.054 1.00 26.90 ? 69 GLU A CG 1 ATOM 334 C CD . GLU A 1 51 ? 1.453 81.003 29.301 1.00 30.19 ? 69 GLU A CD 1 ATOM 335 O OE1 . GLU A 1 51 ? 1.939 81.307 30.408 1.00 29.98 ? 69 GLU A OE1 1 ATOM 336 O OE2 . GLU A 1 51 ? 0.278 80.616 29.181 1.00 24.17 ? 69 GLU A OE2 1 ATOM 337 N N . SER A 1 52 ? 6.915 81.018 28.156 1.00 22.47 ? 70 SER A N 1 ATOM 338 C CA . SER A 1 52 ? 8.244 81.267 28.694 1.00 27.87 ? 70 SER A CA 1 ATOM 339 C C . SER A 1 52 ? 9.148 81.955 27.656 1.00 26.86 ? 70 SER A C 1 ATOM 340 O O . SER A 1 52 ? 9.938 82.868 27.991 1.00 28.07 ? 70 SER A O 1 ATOM 341 C CB . SER A 1 52 ? 8.868 79.942 29.147 1.00 29.65 ? 70 SER A CB 1 ATOM 342 O OG . SER A 1 52 ? 10.124 80.153 29.743 1.00 35.49 ? 70 SER A OG 1 ATOM 343 N N . ASP A 1 53 ? 9.031 81.529 26.401 1.00 24.88 ? 71 ASP A N 1 ATOM 344 C CA . ASP A 1 53 ? 9.889 82.060 25.342 1.00 24.03 ? 71 ASP A CA 1 ATOM 345 C C . ASP A 1 53 ? 9.499 83.501 24.965 1.00 22.24 ? 71 ASP A C 1 ATOM 346 O O . ASP A 1 53 ? 10.358 84.321 24.614 1.00 24.28 ? 71 ASP A O 1 ATOM 347 C CB . ASP A 1 53 ? 9.901 81.116 24.120 1.00 25.18 ? 71 ASP A CB 1 ATOM 348 C CG . ASP A 1 53 ? 10.647 79.803 24.394 1.00 28.19 ? 71 ASP A CG 1 ATOM 349 O OD1 . ASP A 1 53 ? 11.550 79.777 25.262 1.00 30.39 ? 71 ASP A OD1 1 ATOM 350 O OD2 . ASP A 1 53 ? 10.345 78.786 23.740 1.00 27.12 ? 71 ASP A OD2 1 ATOM 351 N N . ILE A 1 54 ? 8.220 83.818 25.058 1.00 21.70 ? 72 ILE A N 1 ATOM 352 C CA . ILE A 1 54 ? 7.766 85.195 24.851 1.00 22.16 ? 72 ILE A CA 1 ATOM 353 C C . ILE A 1 54 ? 8.303 86.085 25.974 1.00 24.17 ? 72 ILE A C 1 ATOM 354 O O . ILE A 1 54 ? 8.859 87.155 25.719 1.00 23.22 ? 72 ILE A O 1 ATOM 355 C CB . ILE A 1 54 ? 6.250 85.278 24.787 1.00 19.54 ? 72 ILE A CB 1 ATOM 356 C CG1 . ILE A 1 54 ? 5.744 84.555 23.534 1.00 24.31 ? 72 ILE A CG1 1 ATOM 357 C CG2 . ILE A 1 54 ? 5.771 86.748 24.759 1.00 19.99 ? 72 ILE A CG2 1 ATOM 358 C CD1 . ILE A 1 54 ? 4.269 84.263 23.571 1.00 23.59 ? 72 ILE A CD1 1 ATOM 359 N N . ASP A 1 55 ? 8.155 85.635 27.212 1.00 25.84 ? 73 ASP A N 1 ATOM 360 C CA . ASP A 1 55 ? 8.660 86.391 28.361 1.00 27.26 ? 73 ASP A CA 1 ATOM 361 C C . ASP A 1 55 ? 10.183 86.586 28.317 1.00 29.28 ? 73 ASP A C 1 ATOM 362 O O . ASP A 1 55 ? 10.684 87.656 28.686 1.00 30.60 ? 73 ASP A O 1 ATOM 363 C CB . ASP A 1 55 ? 8.251 85.717 29.672 1.00 29.48 ? 73 ASP A CB 1 ATOM 364 C CG . ASP A 1 55 ? 6.764 85.879 29.975 1.00 29.94 ? 73 ASP A CG 1 ATOM 365 O OD1 . ASP A 1 55 ? 6.069 86.664 29.276 1.00 30.55 ? 73 ASP A OD1 1 ATOM 366 O OD2 . ASP A 1 55 ? 6.293 85.213 30.909 1.00 31.16 ? 73 ASP A OD2 1 ATOM 367 N N . GLN A 1 56 ? 10.906 85.563 27.859 1.00 28.45 ? 74 GLN A N 1 ATOM 368 C CA . GLN A 1 56 ? 12.351 85.677 27.638 1.00 32.20 ? 74 GLN A CA 1 ATOM 369 C C . GLN A 1 56 ? 12.676 86.787 26.646 1.00 31.70 ? 74 GLN A C 1 ATOM 370 O O . GLN A 1 56 ? 13.590 87.590 26.892 1.00 32.17 ? 74 GLN A O 1 ATOM 371 C CB . GLN A 1 56 ? 12.945 84.351 27.141 1.00 33.59 ? 74 GLN A CB 1 ATOM 372 C CG . GLN A 1 56 ? 14.495 84.358 26.990 1.00 39.15 ? 74 GLN A CG 1 ATOM 373 C CD . GLN A 1 56 ? 15.235 84.724 28.274 1.00 46.06 ? 74 GLN A CD 1 ATOM 374 O OE1 . GLN A 1 56 ? 15.951 85.733 28.328 1.00 51.63 ? 74 GLN A OE1 1 ATOM 375 N NE2 . GLN A 1 56 ? 15.077 83.906 29.306 1.00 43.14 ? 74 GLN A NE2 1 ATOM 376 N N . ALA A 1 57 ? 11.936 86.827 25.536 1.00 27.61 ? 75 ALA A N 1 ATOM 377 C CA . ALA A 1 57 ? 12.127 87.859 24.506 1.00 29.35 ? 75 ALA A CA 1 ATOM 378 C C . ALA A 1 57 ? 11.852 89.249 25.077 1.00 28.41 ? 75 ALA A C 1 ATOM 379 O O . ALA A 1 57 ? 12.585 90.201 24.798 1.00 28.59 ? 75 ALA A O 1 ATOM 380 C CB . ALA A 1 57 ? 11.248 87.600 23.300 1.00 23.41 ? 75 ALA A CB 1 ATOM 381 N N . THR A 1 58 ? 10.801 89.358 25.884 1.00 28.20 ? 76 THR A N 1 ATOM 382 C CA . THR A 1 58 ? 10.489 90.617 26.561 1.00 27.40 ? 76 THR A CA 1 ATOM 383 C C . THR A 1 58 ? 11.629 91.053 27.485 1.00 30.69 ? 76 THR A C 1 ATOM 384 O O . THR A 1 58 ? 12.076 92.201 27.406 1.00 30.90 ? 76 THR A O 1 ATOM 385 C CB . THR A 1 58 ? 9.186 90.516 27.345 1.00 29.47 ? 76 THR A CB 1 ATOM 386 O OG1 . THR A 1 58 ? 8.132 90.127 26.451 1.00 26.04 ? 76 THR A OG1 1 ATOM 387 C CG2 . THR A 1 58 ? 8.847 91.841 28.009 1.00 31.13 ? 76 THR A CG2 1 ATOM 388 N N . ALA A 1 59 ? 12.120 90.139 28.323 1.00 30.43 ? 77 ALA A N 1 ATOM 389 C CA . ALA A 1 59 ? 13.280 90.426 29.187 1.00 34.56 ? 77 ALA A CA 1 ATOM 390 C C . ALA A 1 59 ? 14.515 90.858 28.380 1.00 35.56 ? 77 ALA A C 1 ATOM 391 O O . ALA A 1 59 ? 15.197 91.820 28.739 1.00 36.11 ? 77 ALA A O 1 ATOM 392 C CB . ALA A 1 59 ? 13.614 89.217 30.066 1.00 37.59 ? 77 ALA A CB 1 ATOM 393 N N . ASP A 1 60 ? 14.801 90.151 27.291 1.00 33.17 ? 78 ASP A N 1 ATOM 394 C CA . ASP A 1 60 ? 15.962 90.476 26.460 1.00 35.24 ? 78 ASP A CA 1 ATOM 395 C C . ASP A 1 60 ? 15.807 91.831 25.781 1.00 34.20 ? 78 ASP A C 1 ATOM 396 O O . ASP A 1 60 ? 16.787 92.593 25.688 1.00 38.49 ? 78 ASP A O 1 ATOM 397 C CB . ASP A 1 60 ? 16.230 89.375 25.435 1.00 32.44 ? 78 ASP A CB 1 ATOM 398 C CG . ASP A 1 60 ? 16.781 88.098 26.073 1.00 39.94 ? 78 ASP A CG 1 ATOM 399 O OD1 . ASP A 1 60 ? 17.374 88.168 27.169 1.00 42.83 ? 78 ASP A OD1 1 ATOM 400 O OD2 . ASP A 1 60 ? 16.624 87.017 25.481 1.00 33.84 ? 78 ASP A OD2 1 ATOM 401 N N . ALA A 1 61 ? 14.588 92.140 25.331 1.00 31.04 ? 79 ALA A N 1 ATOM 402 C CA . ALA A 1 61 ? 14.288 93.443 24.715 1.00 32.20 ? 79 ALA A CA 1 ATOM 403 C C . ALA A 1 61 ? 14.441 94.591 25.714 1.00 34.75 ? 79 ALA A C 1 ATOM 404 O O . ALA A 1 61 ? 14.979 95.644 25.378 1.00 35.62 ? 79 ALA A O 1 ATOM 405 C CB . ALA A 1 61 ? 12.876 93.451 24.116 1.00 29.22 ? 79 ALA A CB 1 ATOM 406 N N . LYS A 1 62 ? 13.974 94.380 26.940 1.00 36.07 ? 80 LYS A N 1 ATOM 407 C CA . LYS A 1 62 ? 14.102 95.389 27.993 1.00 41.97 ? 80 LYS A CA 1 ATOM 408 C C . LYS A 1 62 ? 15.559 95.631 28.401 1.00 43.75 ? 80 LYS A C 1 ATOM 409 O O . LYS A 1 62 ? 15.882 96.699 28.916 1.00 47.38 ? 80 LYS A O 1 ATOM 410 C CB . LYS A 1 62 ? 13.272 94.995 29.213 1.00 43.75 ? 80 LYS A CB 1 ATOM 411 C CG . LYS A 1 62 ? 11.783 95.096 28.979 1.00 45.23 ? 80 LYS A CG 1 ATOM 412 C CD . LYS A 1 62 ? 11.021 94.802 30.254 1.00 56.61 ? 80 LYS A CD 1 ATOM 413 C CE . LYS A 1 62 ? 9.570 95.239 30.158 1.00 59.63 ? 80 LYS A CE 1 ATOM 414 N NZ . LYS A 1 62 ? 8.919 95.245 31.505 1.00 67.16 ? 80 LYS A NZ 1 ATOM 415 N N . ALA A 1 63 ? 16.429 94.647 28.164 1.00 44.41 ? 81 ALA A N 1 ATOM 416 C CA . ALA A 1 63 ? 17.867 94.772 28.460 1.00 48.49 ? 81 ALA A CA 1 ATOM 417 C C . ALA A 1 63 ? 18.680 95.373 27.301 1.00 48.69 ? 81 ALA A C 1 ATOM 418 O O . ALA A 1 63 ? 19.878 95.625 27.449 1.00 51.67 ? 81 ALA A O 1 ATOM 419 C CB . ALA A 1 63 ? 18.444 93.411 28.854 1.00 47.65 ? 81 ALA A CB 1 ATOM 420 N N . THR A 1 64 ? 18.026 95.627 26.170 1.00 45.93 ? 82 THR A N 1 ATOM 421 C CA . THR A 1 64 ? 18.684 96.138 24.970 1.00 47.75 ? 82 THR A CA 1 ATOM 422 C C . THR A 1 64 ? 18.508 97.651 24.837 1.00 49.51 ? 82 THR A C 1 ATOM 423 O O . THR A 1 64 ? 17.439 98.183 25.135 1.00 50.79 ? 82 THR A O 1 ATOM 424 C CB . THR A 1 64 ? 18.094 95.461 23.722 1.00 45.47 ? 82 THR A CB 1 ATOM 425 O OG1 . THR A 1 64 ? 18.287 94.046 23.826 1.00 46.38 ? 82 THR A OG1 1 ATOM 426 C CG2 . THR A 1 64 ? 18.754 95.987 22.442 1.00 45.65 ? 82 THR A CG2 1 ATOM 427 N N . SER A 1 65 ? 19.557 98.341 24.395 1.00 52.72 ? 83 SER A N 1 ATOM 428 C CA . SER A 1 65 ? 19.484 99.790 24.189 1.00 54.66 ? 83 SER A CA 1 ATOM 429 C C . SER A 1 65 ? 18.983 100.098 22.776 1.00 52.26 ? 83 SER A C 1 ATOM 430 O O . SER A 1 65 ? 18.950 99.210 21.910 1.00 49.71 ? 83 SER A O 1 ATOM 431 C CB . SER A 1 65 ? 20.845 100.455 24.455 1.00 59.06 ? 83 SER A CB 1 ATOM 432 O OG . SER A 1 65 ? 21.907 99.750 23.829 1.00 61.86 ? 83 SER A OG 1 ATOM 433 N N . ALA A 1 66 ? 18.599 101.356 22.558 1.00 51.43 ? 84 ALA A N 1 ATOM 434 C CA . ALA A 1 66 ? 18.005 101.802 21.295 1.00 48.26 ? 84 ALA A CA 1 ATOM 435 C C . ALA A 1 66 ? 18.684 101.155 20.084 1.00 46.43 ? 84 ALA A C 1 ATOM 436 O O . ALA A 1 66 ? 19.909 101.215 19.930 1.00 44.64 ? 84 ALA A O 1 ATOM 437 C CB . ALA A 1 66 ? 18.054 103.328 21.192 1.00 49.99 ? 84 ALA A CB 1 ATOM 438 N N . LEU A 1 67 ? 17.878 100.532 19.233 1.00 41.14 ? 85 LEU A N 1 ATOM 439 C CA . LEU A 1 67 ? 18.382 99.777 18.093 1.00 41.26 ? 85 LEU A CA 1 ATOM 440 C C . LEU A 1 67 ? 18.886 100.688 16.972 1.00 41.75 ? 85 LEU A C 1 ATOM 441 O O . LEU A 1 67 ? 18.307 101.741 16.713 1.00 40.07 ? 85 LEU A O 1 ATOM 442 C CB . LEU A 1 67 ? 17.273 98.866 17.534 1.00 39.41 ? 85 LEU A CB 1 ATOM 443 C CG . LEU A 1 67 ? 16.720 97.791 18.478 1.00 39.02 ? 85 LEU A CG 1 ATOM 444 C CD1 . LEU A 1 67 ? 15.534 97.054 17.835 1.00 34.53 ? 85 LEU A CD1 1 ATOM 445 C CD2 . LEU A 1 67 ? 17.812 96.818 18.876 1.00 41.92 ? 85 LEU A CD2 1 ATOM 446 N N . SER A 1 68 ? 19.955 100.258 16.305 1.00 40.46 ? 86 SER A N 1 ATOM 447 C CA . SER A 1 68 ? 20.370 100.842 15.033 1.00 42.26 ? 86 SER A CA 1 ATOM 448 C C . SER A 1 68 ? 19.287 100.658 13.961 1.00 41.70 ? 86 SER A C 1 ATOM 449 O O . SER A 1 68 ? 18.357 99.862 14.126 1.00 35.72 ? 86 SER A O 1 ATOM 450 C CB . SER A 1 68 ? 21.657 100.173 14.557 1.00 45.38 ? 86 SER A CB 1 ATOM 451 O OG . SER A 1 68 ? 21.393 98.879 14.046 1.00 42.53 ? 86 SER A OG 1 ATOM 452 N N . ALA A 1 69 ? 19.422 101.394 12.861 1.00 41.22 ? 87 ALA A N 1 ATOM 453 C CA . ALA A 1 69 ? 18.470 101.352 11.745 1.00 38.48 ? 87 ALA A CA 1 ATOM 454 C C . ALA A 1 69 ? 18.273 99.938 11.223 1.00 37.11 ? 87 ALA A C 1 ATOM 455 O O . ALA A 1 69 ? 17.145 99.474 11.104 1.00 33.91 ? 87 ALA A O 1 ATOM 456 C CB . ALA A 1 69 ? 18.946 102.271 10.597 1.00 42.86 ? 87 ALA A CB 1 ATOM 457 N N . ALA A 1 70 ? 19.378 99.261 10.915 1.00 37.11 ? 88 ALA A N 1 ATOM 458 C CA . ALA A 1 70 ? 19.323 97.898 10.393 1.00 36.81 ? 88 ALA A CA 1 ATOM 459 C C . ALA A 1 70 ? 18.816 96.919 11.449 1.00 34.72 ? 88 ALA A C 1 ATOM 460 O O . ALA A 1 70 ? 18.059 96.005 11.127 1.00 33.98 ? 88 ALA A O 1 ATOM 461 C CB . ALA A 1 70 ? 20.699 97.461 9.858 1.00 38.71 ? 88 ALA A CB 1 ATOM 462 N N . ASP A 1 71 ? 19.213 97.114 12.707 1.00 35.19 ? 89 ASP A N 1 ATOM 463 C CA . ASP A 1 71 ? 18.730 96.242 13.790 1.00 33.55 ? 89 ASP A CA 1 ATOM 464 C C . ASP A 1 71 ? 17.226 96.439 14.027 1.00 29.86 ? 89 ASP A C 1 ATOM 465 O O . ASP A 1 71 ? 16.495 95.471 14.194 1.00 28.16 ? 89 ASP A O 1 ATOM 466 C CB . ASP A 1 71 ? 19.534 96.444 15.086 1.00 34.62 ? 89 ASP A CB 1 ATOM 467 C CG . ASP A 1 71 ? 20.924 95.809 15.028 1.00 39.27 ? 89 ASP A CG 1 ATOM 468 O OD1 . ASP A 1 71 ? 21.217 95.040 14.083 1.00 45.49 ? 89 ASP A OD1 1 ATOM 469 O OD2 . ASP A 1 71 ? 21.722 96.063 15.949 1.00 40.96 ? 89 ASP A OD2 1 ATOM 470 N N . SER A 1 72 ? 16.758 97.678 14.001 1.00 29.51 ? 90 SER A N 1 ATOM 471 C CA . SER A 1 72 ? 15.331 97.943 14.090 1.00 28.45 ? 90 SER A CA 1 ATOM 472 C C . SER A 1 72 ? 14.540 97.250 12.952 1.00 28.47 ? 90 SER A C 1 ATOM 473 O O . SER A 1 72 ? 13.491 96.655 13.197 1.00 26.73 ? 90 SER A O 1 ATOM 474 C CB . SER A 1 72 ? 15.074 99.443 14.092 1.00 28.94 ? 90 SER A CB 1 ATOM 475 O OG . SER A 1 72 ? 13.707 99.736 14.288 1.00 27.77 ? 90 SER A OG 1 ATOM 476 N N . THR A 1 73 ? 15.054 97.319 11.723 1.00 28.79 ? 91 THR A N 1 ATOM 477 C CA . THR A 1 73 ? 14.407 96.665 10.578 1.00 27.83 ? 91 THR A CA 1 ATOM 478 C C . THR A 1 73 ? 14.358 95.147 10.768 1.00 26.24 ? 91 THR A C 1 ATOM 479 O O . THR A 1 73 ? 13.323 94.519 10.536 1.00 24.76 ? 91 THR A O 1 ATOM 480 C CB . THR A 1 73 ? 15.121 96.989 9.248 1.00 30.58 ? 91 THR A CB 1 ATOM 481 O OG1 . THR A 1 73 ? 15.086 98.408 9.009 1.00 30.29 ? 91 THR A OG1 1 ATOM 482 C CG2 . THR A 1 73 ? 14.453 96.267 8.088 1.00 29.66 ? 91 THR A CG2 1 ATOM 483 N N . SER A 1 74 ? 15.473 94.563 11.196 1.00 26.78 ? 92 SER A N 1 ATOM 484 C CA . SER A 1 74 ? 15.551 93.102 11.409 1.00 27.40 ? 92 SER A CA 1 ATOM 485 C C . SER A 1 74 ? 14.559 92.623 12.440 1.00 25.61 ? 92 SER A C 1 ATOM 486 O O . SER A 1 74 ? 13.852 91.634 12.216 1.00 26.99 ? 92 SER A O 1 ATOM 487 C CB . SER A 1 74 ? 16.960 92.693 11.851 1.00 28.62 ? 92 SER A CB 1 ATOM 488 O OG . SER A 1 74 ? 17.857 92.885 10.787 1.00 38.37 ? 92 SER A OG 1 ATOM 489 N N . VAL A 1 75 ? 14.512 93.326 13.572 1.00 26.47 ? 93 VAL A N 1 ATOM 490 C CA . VAL A 1 75 ? 13.607 92.979 14.675 1.00 24.59 ? 93 VAL A CA 1 ATOM 491 C C . VAL A 1 75 ? 12.139 93.195 14.277 1.00 24.18 ? 93 VAL A C 1 ATOM 492 O O . VAL A 1 75 ? 11.279 92.369 14.584 1.00 24.13 ? 93 VAL A O 1 ATOM 493 C CB . VAL A 1 75 ? 13.960 93.791 15.961 1.00 28.02 ? 93 VAL A CB 1 ATOM 494 C CG1 . VAL A 1 75 ? 12.848 93.732 17.001 1.00 26.70 ? 93 VAL A CG1 1 ATOM 495 C CG2 . VAL A 1 75 ? 15.270 93.306 16.538 1.00 23.19 ? 93 VAL A CG2 1 ATOM 496 N N . THR A 1 76 ? 11.864 94.300 13.591 1.00 25.05 ? 94 THR A N 1 ATOM 497 C CA . THR A 1 76 ? 10.509 94.613 13.118 1.00 25.54 ? 94 THR A CA 1 ATOM 498 C C . THR A 1 76 ? 10.002 93.535 12.160 1.00 26.82 ? 94 THR A C 1 ATOM 499 O O . THR A 1 76 ? 8.869 93.048 12.298 1.00 26.07 ? 94 THR A O 1 ATOM 500 C CB . THR A 1 76 ? 10.491 95.977 12.398 1.00 27.67 ? 94 THR A CB 1 ATOM 501 O OG1 . THR A 1 76 ? 10.846 97.010 13.326 1.00 24.98 ? 94 THR A OG1 1 ATOM 502 C CG2 . THR A 1 76 ? 9.140 96.270 11.810 1.00 26.06 ? 94 THR A CG2 1 ATOM 503 N N . ASN A 1 77 ? 10.847 93.161 11.195 1.00 26.74 ? 95 ASN A N 1 ATOM 504 C CA . ASN A 1 77 ? 10.467 92.135 10.216 1.00 27.78 ? 95 ASN A CA 1 ATOM 505 C C . ASN A 1 77 ? 10.295 90.771 10.851 1.00 26.97 ? 95 ASN A C 1 ATOM 506 O O . ASN A 1 77 ? 9.402 90.036 10.449 1.00 28.40 ? 95 ASN A O 1 ATOM 507 C CB . ASN A 1 77 ? 11.456 92.071 9.053 1.00 27.52 ? 95 ASN A CB 1 ATOM 508 C CG . ASN A 1 77 ? 11.318 93.256 8.121 1.00 32.39 ? 95 ASN A CG 1 ATOM 509 O OD1 . ASN A 1 77 ? 10.672 94.248 8.466 1.00 28.14 ? 95 ASN A OD1 1 ATOM 510 N ND2 . ASN A 1 77 ? 11.901 93.156 6.934 1.00 27.10 ? 95 ASN A ND2 1 ATOM 511 N N . ALA A 1 78 ? 11.134 90.456 11.839 1.00 23.95 ? 96 ALA A N 1 ATOM 512 C CA . ALA A 1 78 ? 11.016 89.195 12.588 1.00 27.16 ? 96 ALA A CA 1 ATOM 513 C C . ALA A 1 78 ? 9.714 89.144 13.405 1.00 27.60 ? 96 ALA A C 1 ATOM 514 O O . ALA A 1 78 ? 9.042 88.098 13.458 1.00 28.52 ? 96 ALA A O 1 ATOM 515 C CB . ALA A 1 78 ? 12.212 88.994 13.485 1.00 25.37 ? 96 ALA A CB 1 ATOM 516 N N . LEU A 1 79 ? 9.356 90.263 14.029 1.00 34.55 ? 97 LEU A N 1 ATOM 517 C CA . LEU A 1 79 ? 8.109 90.336 14.800 1.00 32.88 ? 97 LEU A CA 1 ATOM 518 C C . LEU A 1 79 ? 6.904 90.221 13.875 1.00 31.10 ? 97 LEU A C 1 ATOM 519 O O . LEU A 1 79 ? 5.993 89.422 14.123 1.00 29.40 ? 97 LEU A O 1 ATOM 520 C CB . LEU A 1 79 ? 8.023 91.644 15.603 1.00 33.24 ? 97 LEU A CB 1 ATOM 521 C CG . LEU A 1 79 ? 6.795 91.794 16.515 1.00 38.57 ? 97 LEU A CG 1 ATOM 522 C CD1 . LEU A 1 79 ? 6.762 90.706 17.569 1.00 30.54 ? 97 LEU A CD1 1 ATOM 523 C CD2 . LEU A 1 79 ? 6.787 93.152 17.173 1.00 45.06 ? 97 LEU A CD2 1 ATOM 524 N N . LEU A 1 80 ? 6.909 91.004 12.800 1.00 34.57 ? 98 LEU A N 1 ATOM 525 C CA . LEU A 1 80 ? 5.805 91.003 11.859 1.00 35.74 ? 98 LEU A CA 1 ATOM 526 C C . LEU A 1 80 ? 5.691 89.672 11.113 1.00 36.22 ? 98 LEU A C 1 ATOM 527 O O . LEU A 1 80 ? 4.579 89.222 10.843 1.00 32.44 ? 98 LEU A O 1 ATOM 528 C CB . LEU A 1 80 ? 5.915 92.168 10.881 1.00 41.55 ? 98 LEU A CB 1 ATOM 529 C CG . LEU A 1 80 ? 5.766 93.570 11.496 1.00 47.26 ? 98 LEU A CG 1 ATOM 530 C CD1 . LEU A 1 80 ? 5.711 94.601 10.386 1.00 54.30 ? 98 LEU A CD1 1 ATOM 531 C CD2 . LEU A 1 80 ? 4.549 93.674 12.397 1.00 50.34 ? 98 LEU A CD2 1 ATOM 532 N N . GLY A 1 81 ? 6.827 89.045 10.802 1.00 35.41 ? 99 GLY A N 1 ATOM 533 C CA . GLY A 1 81 ? 6.846 87.693 10.227 1.00 37.34 ? 99 GLY A CA 1 ATOM 534 C C . GLY A 1 81 ? 6.121 86.644 11.064 1.00 36.19 ? 99 GLY A C 1 ATOM 535 O O . GLY A 1 81 ? 5.722 85.602 10.540 1.00 39.58 ? 99 GLY A O 1 ATOM 536 N N . LEU A 1 82 ? 5.952 86.900 12.367 1.00 33.44 ? 100 LEU A N 1 ATOM 537 C CA . LEU A 1 82 ? 5.145 86.031 13.221 1.00 31.34 ? 100 LEU A CA 1 ATOM 538 C C . LEU A 1 82 ? 3.659 86.088 12.884 1.00 30.61 ? 100 LEU A C 1 ATOM 539 O O . LEU A 1 82 ? 2.945 85.114 13.129 1.00 27.87 ? 100 LEU A O 1 ATOM 540 C CB . LEU A 1 82 ? 5.300 86.366 14.720 1.00 27.98 ? 100 LEU A CB 1 ATOM 541 C CG . LEU A 1 82 ? 6.677 86.187 15.387 1.00 35.58 ? 100 LEU A CG 1 ATOM 542 C CD1 . LEU A 1 82 ? 6.625 86.585 16.859 1.00 29.37 ? 100 LEU A CD1 1 ATOM 543 C CD2 . LEU A 1 82 ? 7.169 84.752 15.236 1.00 37.18 ? 100 LEU A CD2 1 ATOM 544 N N . LYS A 1 83 ? 3.198 87.205 12.319 1.00 30.43 ? 101 LYS A N 1 ATOM 545 C CA . LYS A 1 83 ? 1.766 87.463 12.209 1.00 30.77 ? 101 LYS A CA 1 ATOM 546 C C . LYS A 1 83 ? 0.977 86.347 11.504 1.00 30.18 ? 101 LYS A C 1 ATOM 547 O O . LYS A 1 83 ? -0.004 85.865 12.066 1.00 26.04 ? 101 LYS A O 1 ATOM 548 C CB . LYS A 1 83 ? 1.481 88.843 11.578 1.00 35.32 ? 101 LYS A CB 1 ATOM 549 C CG . LYS A 1 83 ? 0.003 89.268 11.686 1.00 39.87 ? 101 LYS A CG 1 ATOM 550 C CD . LYS A 1 83 ? -0.401 90.290 10.615 1.00 46.23 ? 101 LYS A CD 1 ATOM 551 C CE . LYS A 1 83 ? 0.298 91.626 10.797 1.00 49.83 ? 101 LYS A CE 1 ATOM 552 N NZ . LYS A 1 83 ? -0.252 92.673 9.867 1.00 52.25 ? 101 LYS A NZ 1 ATOM 553 N N . PRO A 1 84 ? 1.394 85.928 10.291 1.00 33.01 ? 102 PRO A N 1 ATOM 554 C CA . PRO A 1 84 ? 0.622 84.862 9.641 1.00 33.26 ? 102 PRO A CA 1 ATOM 555 C C . PRO A 1 84 ? 0.668 83.519 10.387 1.00 31.86 ? 102 PRO A C 1 ATOM 556 O O . PRO A 1 84 ? -0.311 82.789 10.353 1.00 30.20 ? 102 PRO A O 1 ATOM 557 C CB . PRO A 1 84 ? 1.242 84.751 8.237 1.00 39.80 ? 102 PRO A CB 1 ATOM 558 C CG . PRO A 1 84 ? 2.519 85.483 8.285 1.00 39.00 ? 102 PRO A CG 1 ATOM 559 C CD . PRO A 1 84 ? 2.472 86.446 9.428 1.00 35.21 ? 102 PRO A CD 1 ATOM 560 N N . ASP A 1 85 ? 1.770 83.213 11.071 1.00 28.63 ? 103 ASP A N 1 ATOM 561 C CA . ASP A 1 85 ? 1.873 81.972 11.835 1.00 28.03 ? 103 ASP A CA 1 ATOM 562 C C . ASP A 1 85 ? 0.980 82.015 13.067 1.00 26.09 ? 103 ASP A C 1 ATOM 563 O O . ASP A 1 85 ? 0.465 80.984 13.485 1.00 23.68 ? 103 ASP A O 1 ATOM 564 C CB . ASP A 1 85 ? 3.305 81.693 12.278 1.00 28.85 ? 103 ASP A CB 1 ATOM 565 C CG . ASP A 1 85 ? 4.221 81.276 11.116 1.00 40.01 ? 103 ASP A CG 1 ATOM 566 O OD1 . ASP A 1 85 ? 3.717 80.946 10.027 1.00 46.07 ? 103 ASP A OD1 1 ATOM 567 O OD2 . ASP A 1 85 ? 5.447 81.255 11.316 1.00 39.38 ? 103 ASP A OD2 1 ATOM 568 N N . ILE A 1 86 ? 0.815 83.203 13.639 1.00 24.46 ? 104 ILE A N 1 ATOM 569 C CA . ILE A 1 86 ? -0.091 83.400 14.763 1.00 25.14 ? 104 ILE A CA 1 ATOM 570 C C . ILE A 1 86 ? -1.535 83.187 14.321 1.00 25.06 ? 104 ILE A C 1 ATOM 571 O O . ILE A 1 86 ? -2.286 82.435 14.956 1.00 23.69 ? 104 ILE A O 1 ATOM 572 C CB . ILE A 1 86 ? 0.058 84.814 15.386 1.00 23.61 ? 104 ILE A CB 1 ATOM 573 C CG1 . ILE A 1 86 ? 1.403 84.930 16.110 1.00 27.02 ? 104 ILE A CG1 1 ATOM 574 C CG2 . ILE A 1 86 ? -1.120 85.125 16.348 1.00 23.61 ? 104 ILE A CG2 1 ATOM 575 C CD1 . ILE A 1 86 ? 1.810 86.355 16.475 1.00 29.79 ? 104 ILE A CD1 1 ATOM 576 N N . VAL A 1 87 ? -1.908 83.831 13.222 1.00 26.61 ? 105 VAL A N 1 ATOM 577 C CA . VAL A 1 87 ? -3.249 83.702 12.677 1.00 27.97 ? 105 VAL A CA 1 ATOM 578 C C . VAL A 1 87 ? -3.545 82.243 12.324 1.00 30.02 ? 105 VAL A C 1 ATOM 579 O O . VAL A 1 87 ? -4.628 81.735 12.623 1.00 27.17 ? 105 VAL A O 1 ATOM 580 C CB . VAL A 1 87 ? -3.451 84.630 11.460 1.00 31.88 ? 105 VAL A CB 1 ATOM 581 C CG1 . VAL A 1 87 ? -4.771 84.347 10.754 1.00 33.26 ? 105 VAL A CG1 1 ATOM 582 C CG2 . VAL A 1 87 ? -3.379 86.113 11.894 1.00 32.80 ? 105 VAL A CG2 1 ATOM 583 N N . THR A 1 88 ? -2.577 81.566 11.714 1.00 28.42 ? 106 THR A N 1 ATOM 584 C CA . THR A 1 88 ? -2.727 80.153 11.358 1.00 29.35 ? 106 THR A CA 1 ATOM 585 C C . THR A 1 88 ? -2.956 79.293 12.602 1.00 27.96 ? 106 THR A C 1 ATOM 586 O O . THR A 1 88 ? -3.829 78.434 12.619 1.00 27.89 ? 106 THR A O 1 ATOM 587 C CB . THR A 1 88 ? -1.484 79.660 10.583 1.00 29.50 ? 106 THR A CB 1 ATOM 588 O OG1 . THR A 1 88 ? -1.416 80.347 9.325 1.00 31.77 ? 106 THR A OG1 1 ATOM 589 C CG2 . THR A 1 88 ? -1.523 78.146 10.327 1.00 33.21 ? 106 THR A CG2 1 ATOM 590 N N . SER A 1 89 ? -2.173 79.553 13.642 1.00 25.57 ? 107 SER A N 1 ATOM 591 C CA . SER A 1 89 ? -2.269 78.815 14.897 1.00 23.50 ? 107 SER A CA 1 ATOM 592 C C . SER A 1 89 ? -3.632 79.028 15.574 1.00 24.23 ? 107 SER A C 1 ATOM 593 O O . SER A 1 89 ? -4.285 78.054 15.965 1.00 24.39 ? 107 SER A O 1 ATOM 594 C CB . SER A 1 89 ? -1.110 79.193 15.830 1.00 25.00 ? 107 SER A CB 1 ATOM 595 O OG . SER A 1 89 ? -0.937 78.242 16.880 1.00 26.73 ? 107 SER A OG 1 ATOM 596 N N . LEU A 1 90 ? -4.065 80.283 15.694 1.00 22.78 ? 108 LEU A N 1 ATOM 597 C CA . LEU A 1 90 ? -5.389 80.592 16.252 1.00 23.25 ? 108 LEU A CA 1 ATOM 598 C C . LEU A 1 90 ? -6.512 79.952 15.445 1.00 26.38 ? 108 LEU A C 1 ATOM 599 O O . LEU A 1 90 ? -7.451 79.378 16.010 1.00 25.24 ? 108 LEU A O 1 ATOM 600 C CB . LEU A 1 90 ? -5.606 82.096 16.328 1.00 22.73 ? 108 LEU A CB 1 ATOM 601 C CG . LEU A 1 90 ? -4.669 82.803 17.317 1.00 23.04 ? 108 LEU A CG 1 ATOM 602 C CD1 . LEU A 1 90 ? -4.712 84.293 17.060 1.00 18.74 ? 108 LEU A CD1 1 ATOM 603 C CD2 . LEU A 1 90 ? -5.017 82.451 18.801 1.00 20.65 ? 108 LEU A CD2 1 ATOM 604 N N . ASP A 1 91 ? -6.412 80.038 14.120 1.00 28.44 ? 109 ASP A N 1 ATOM 605 C CA . ASP A 1 91 ? -7.375 79.355 13.250 1.00 29.94 ? 109 ASP A CA 1 ATOM 606 C C . ASP A 1 91 ? -7.422 77.837 13.512 1.00 30.15 ? 109 ASP A C 1 ATOM 607 O O . ASP A 1 91 ? -8.498 77.238 13.492 1.00 29.86 ? 109 ASP A O 1 ATOM 608 C CB . ASP A 1 91 ? -7.066 79.636 11.770 1.00 34.25 ? 109 ASP A CB 1 ATOM 609 C CG . ASP A 1 91 ? -7.384 81.080 11.359 1.00 35.48 ? 109 ASP A CG 1 ATOM 610 O OD1 . ASP A 1 91 ? -7.977 81.829 12.161 1.00 31.76 ? 109 ASP A OD1 1 ATOM 611 O OD2 . ASP A 1 91 ? -7.052 81.471 10.221 1.00 33.92 ? 109 ASP A OD2 1 ATOM 612 N N . ALA A 1 92 ? -6.262 77.228 13.752 1.00 26.94 ? 110 ALA A N 1 ATOM 613 C CA . ALA A 1 92 ? -6.169 75.787 13.947 1.00 28.74 ? 110 ALA A CA 1 ATOM 614 C C . ALA A 1 92 ? -6.836 75.338 15.252 1.00 26.94 ? 110 ALA A C 1 ATOM 615 O O . ALA A 1 92 ? -7.511 74.299 15.274 1.00 26.30 ? 110 ALA A O 1 ATOM 616 C CB . ALA A 1 92 ? -4.703 75.333 13.901 1.00 29.72 ? 110 ALA A CB 1 ATOM 617 N N . ILE A 1 93 ? -6.657 76.102 16.332 1.00 24.61 ? 111 ILE A N 1 ATOM 618 C CA . ILE A 1 93 ? -7.374 75.792 17.592 1.00 25.49 ? 111 ILE A CA 1 ATOM 619 C C . ILE A 1 93 ? -8.878 76.149 17.495 1.00 24.12 ? 111 ILE A C 1 ATOM 620 O O . ILE A 1 93 ? -9.726 75.388 17.980 1.00 27.35 ? 111 ILE A O 1 ATOM 621 C CB . ILE A 1 93 ? -6.697 76.397 18.860 1.00 25.63 ? 111 ILE A CB 1 ATOM 622 C CG1 . ILE A 1 93 ? -7.315 75.817 20.145 1.00 25.77 ? 111 ILE A CG1 1 ATOM 623 C CG2 . ILE A 1 93 ? -6.742 77.929 18.856 1.00 22.69 ? 111 ILE A CG2 1 ATOM 624 C CD1 . ILE A 1 93 ? -7.291 74.263 20.210 1.00 27.94 ? 111 ILE A CD1 1 ATOM 625 N N . VAL A 1 94 ? -9.215 77.258 16.836 1.00 23.95 ? 112 VAL A N 1 ATOM 626 C CA . VAL A 1 94 ? -10.625 77.599 16.588 1.00 26.62 ? 112 VAL A CA 1 ATOM 627 C C . VAL A 1 94 ? -11.328 76.476 15.810 1.00 29.62 ? 112 VAL A C 1 ATOM 628 O O . VAL A 1 94 ? -12.446 76.086 16.164 1.00 27.11 ? 112 VAL A O 1 ATOM 629 C CB . VAL A 1 94 ? -10.790 78.979 15.883 1.00 27.08 ? 112 VAL A CB 1 ATOM 630 C CG1 . VAL A 1 94 ? -12.212 79.170 15.317 1.00 30.35 ? 112 VAL A CG1 1 ATOM 631 C CG2 . VAL A 1 94 ? -10.437 80.106 16.860 1.00 23.64 ? 112 VAL A CG2 1 ATOM 632 N N . ALA A 1 95 ? -10.664 75.948 14.780 1.00 29.99 ? 113 ALA A N 1 ATOM 633 C CA . ALA A 1 95 ? -11.209 74.829 13.973 1.00 33.28 ? 113 ALA A CA 1 ATOM 634 C C . ALA A 1 95 ? -11.517 73.581 14.816 1.00 32.70 ? 113 ALA A C 1 ATOM 635 O O . ALA A 1 95 ? -12.406 72.788 14.483 1.00 35.93 ? 113 ALA A O 1 ATOM 636 C CB . ALA A 1 95 ? -10.241 74.470 12.857 1.00 35.37 ? 113 ALA A CB 1 ATOM 637 N N . LYS A 1 96 ? -10.790 73.435 15.917 1.00 29.78 ? 114 LYS A N 1 ATOM 638 C CA . LYS A 1 96 ? -10.952 72.312 16.829 1.00 33.11 ? 114 LYS A CA 1 ATOM 639 C C . LYS A 1 96 ? -11.857 72.577 18.046 1.00 32.77 ? 114 LYS A C 1 ATOM 640 O O . LYS A 1 96 ? -11.807 71.818 19.021 1.00 33.33 ? 114 LYS A O 1 ATOM 641 C CB . LYS A 1 96 ? -9.560 71.842 17.295 1.00 30.04 ? 114 LYS A CB 1 ATOM 642 C CG . LYS A 1 96 ? -8.743 71.169 16.186 1.00 34.36 ? 114 LYS A CG 1 ATOM 643 C CD . LYS A 1 96 ? -9.377 69.842 15.730 1.00 38.98 ? 114 LYS A CD 1 ATOM 644 C CE . LYS A 1 96 ? -8.491 69.078 14.748 1.00 44.01 ? 114 LYS A CE 1 ATOM 645 N NZ . LYS A 1 96 ? -8.266 69.832 13.481 1.00 49.67 ? 114 LYS A NZ 1 ATOM 646 N N . LYS A 1 97 ? -12.704 73.614 17.999 1.00 32.25 ? 115 LYS A N 1 ATOM 647 C CA . LYS A 1 97 ? -13.595 73.892 19.132 1.00 33.01 ? 115 LYS A CA 1 ATOM 648 C C . LYS A 1 97 ? -14.473 72.666 19.499 1.00 34.04 ? 115 LYS A C 1 ATOM 649 O O . LYS A 1 97 ? -14.671 72.390 20.675 1.00 30.04 ? 115 LYS A O 1 ATOM 650 C CB . LYS A 1 97 ? -14.515 75.102 18.895 1.00 36.66 ? 115 LYS A CB 1 ATOM 651 C CG . LYS A 1 97 ? -15.261 75.525 20.180 1.00 37.74 ? 115 LYS A CG 1 ATOM 652 C CD . LYS A 1 97 ? -16.244 76.665 19.977 1.00 46.36 ? 115 LYS A CD 1 ATOM 653 C CE . LYS A 1 97 ? -16.868 77.097 21.321 1.00 47.73 ? 115 LYS A CE 1 ATOM 654 N NZ . LYS A 1 97 ? -17.989 76.227 21.756 1.00 48.07 ? 115 LYS A NZ 1 ATOM 655 N N . PRO A 1 98 ? -15.009 71.948 18.500 1.00 36.96 ? 116 PRO A N 1 ATOM 656 C CA . PRO A 1 98 ? -15.823 70.780 18.897 1.00 39.51 ? 116 PRO A CA 1 ATOM 657 C C . PRO A 1 98 ? -15.042 69.763 19.749 1.00 36.92 ? 116 PRO A C 1 ATOM 658 O O . PRO A 1 98 ? -15.585 69.204 20.716 1.00 38.43 ? 116 PRO A O 1 ATOM 659 C CB . PRO A 1 98 ? -16.235 70.171 17.556 1.00 43.25 ? 116 PRO A CB 1 ATOM 660 C CG . PRO A 1 98 ? -16.203 71.319 16.592 1.00 44.49 ? 116 PRO A CG 1 ATOM 661 C CD . PRO A 1 98 ? -15.071 72.197 17.047 1.00 39.29 ? 116 PRO A CD 1 ATOM 662 N N . GLN A 1 99 ? -13.784 69.529 19.379 1.00 34.00 ? 117 GLN A N 1 ATOM 663 C CA . GLN A 1 99 ? -12.911 68.596 20.103 1.00 35.97 ? 117 GLN A CA 1 ATOM 664 C C . GLN A 1 99 ? -12.512 69.148 21.471 1.00 33.18 ? 117 GLN A C 1 ATOM 665 O O . GLN A 1 99 ? -12.425 68.396 22.453 1.00 34.70 ? 117 GLN A O 1 ATOM 666 C CB . GLN A 1 99 ? -11.655 68.265 19.281 1.00 35.68 ? 117 GLN A CB 1 ATOM 667 C CG . GLN A 1 99 ? -11.918 67.347 18.079 1.00 43.02 ? 117 GLN A CG 1 ATOM 668 C CD . GLN A 1 99 ? -12.507 68.066 16.874 1.00 44.90 ? 117 GLN A CD 1 ATOM 669 O OE1 . GLN A 1 99 ? -12.443 69.293 16.758 1.00 39.74 ? 117 GLN A OE1 1 ATOM 670 N NE2 . GLN A 1 99 ? -13.083 67.301 15.972 1.00 52.78 ? 117 GLN A NE2 1 ATOM 671 N N . VAL A 1 100 ? -12.290 70.458 21.536 1.00 29.07 ? 118 VAL A N 1 ATOM 672 C CA . VAL A 1 100 ? -12.028 71.141 22.804 1.00 27.64 ? 118 VAL A CA 1 ATOM 673 C C . VAL A 1 100 ? -13.201 70.979 23.756 1.00 29.87 ? 118 VAL A C 1 ATOM 674 O O . VAL A 1 100 ? -13.017 70.657 24.935 1.00 30.90 ? 118 VAL A O 1 ATOM 675 C CB . VAL A 1 100 ? -11.743 72.644 22.595 1.00 27.58 ? 118 VAL A CB 1 ATOM 676 C CG1 . VAL A 1 100 ? -11.786 73.413 23.931 1.00 23.78 ? 118 VAL A CG1 1 ATOM 677 C CG2 . VAL A 1 100 ? -10.401 72.842 21.889 1.00 25.18 ? 118 VAL A CG2 1 ATOM 678 N N . ASP A 1 101 ? -14.414 71.175 23.251 1.00 31.66 ? 119 ASP A N 1 ATOM 679 C CA . ASP A 1 101 ? -15.592 71.062 24.117 1.00 34.39 ? 119 ASP A CA 1 ATOM 680 C C . ASP A 1 101 ? -15.860 69.608 24.524 1.00 37.33 ? 119 ASP A C 1 ATOM 681 O O . ASP A 1 101 ? -16.191 69.336 25.675 1.00 34.27 ? 119 ASP A O 1 ATOM 682 C CB . ASP A 1 101 ? -16.811 71.697 23.458 1.00 36.83 ? 119 ASP A CB 1 ATOM 683 C CG . ASP A 1 101 ? -16.685 73.209 23.348 1.00 35.70 ? 119 ASP A CG 1 ATOM 684 O OD1 . ASP A 1 101 ? -15.891 73.818 24.102 1.00 40.70 ? 119 ASP A OD1 1 ATOM 685 O OD2 . ASP A 1 101 ? -17.380 73.785 22.507 1.00 40.83 ? 119 ASP A OD2 1 ATOM 686 N N . SER A 1 102 ? -15.658 68.691 23.583 1.00 37.36 ? 120 SER A N 1 ATOM 687 C CA . SER A 1 102 ? -15.718 67.262 23.852 1.00 42.61 ? 120 SER A CA 1 ATOM 688 C C . SER A 1 102 ? -14.750 66.867 24.986 1.00 39.49 ? 120 SER A C 1 ATOM 689 O O . SER A 1 102 ? -15.129 66.149 25.914 1.00 41.91 ? 120 SER A O 1 ATOM 690 C CB . SER A 1 102 ? -15.400 66.491 22.560 1.00 41.38 ? 120 SER A CB 1 ATOM 691 O OG . SER A 1 102 ? -15.525 65.104 22.755 1.00 55.50 ? 120 SER A OG 1 ATOM 692 N N . ALA A 1 103 ? -13.515 67.354 24.908 1.00 36.44 ? 121 ALA A N 1 ATOM 693 C CA . ALA A 1 103 ? -12.495 67.104 25.939 1.00 36.00 ? 121 ALA A CA 1 ATOM 694 C C . ALA A 1 103 ? -12.770 67.835 27.266 1.00 34.30 ? 121 ALA A C 1 ATOM 695 O O . ALA A 1 103 ? -12.296 67.413 28.315 1.00 34.35 ? 121 ALA A O 1 ATOM 696 C CB . ALA A 1 103 ? -11.120 67.476 25.422 1.00 31.62 ? 121 ALA A CB 1 ATOM 697 N N . GLY A 1 104 ? -13.528 68.925 27.205 1.00 34.11 ? 122 GLY A N 1 ATOM 698 C CA . GLY A 1 104 ? -13.899 69.692 28.390 1.00 33.98 ? 122 GLY A CA 1 ATOM 699 C C . GLY A 1 104 ? -12.838 70.707 28.781 1.00 32.27 ? 122 GLY A C 1 ATOM 700 O O . GLY A 1 104 ? -12.789 71.136 29.938 1.00 32.82 ? 122 GLY A O 1 ATOM 701 N N . VAL A 1 105 ? -11.998 71.108 27.821 1.00 28.78 ? 123 VAL A N 1 ATOM 702 C CA . VAL A 1 105 ? -10.849 71.976 28.123 1.00 26.84 ? 123 VAL A CA 1 ATOM 703 C C . VAL A 1 105 ? -10.940 73.400 27.576 1.00 25.19 ? 123 VAL A C 1 ATOM 704 O O . VAL A 1 105 ? -9.915 74.084 27.442 1.00 22.82 ? 123 VAL A O 1 ATOM 705 C CB . VAL A 1 105 ? -9.509 71.307 27.706 1.00 27.82 ? 123 VAL A CB 1 ATOM 706 C CG1 . VAL A 1 105 ? -9.327 69.998 28.503 1.00 30.85 ? 123 VAL A CG1 1 ATOM 707 C CG2 . VAL A 1 105 ? -9.470 71.047 26.206 1.00 27.92 ? 123 VAL A CG2 1 ATOM 708 N N . GLY A 1 106 ? -12.162 73.864 27.303 1.00 26.28 ? 124 GLY A N 1 ATOM 709 C CA . GLY A 1 106 ? -12.411 75.244 26.860 1.00 25.08 ? 124 GLY A CA 1 ATOM 710 C C . GLY A 1 106 ? -11.811 76.322 27.770 1.00 27.14 ? 124 GLY A C 1 ATOM 711 O O . GLY A 1 106 ? -11.257 77.318 27.281 1.00 24.30 ? 124 GLY A O 1 ATOM 712 N N . SER A 1 107 ? -11.906 76.136 29.086 1.00 24.92 ? 125 SER A N 1 ATOM 713 C CA . SER A 1 107 ? -11.341 77.121 30.033 1.00 25.29 ? 125 SER A CA 1 ATOM 714 C C . SER A 1 107 ? -9.800 77.164 29.981 1.00 22.62 ? 125 SER A C 1 ATOM 715 O O . SER A 1 107 ? -9.198 78.217 30.223 1.00 23.79 ? 125 SER A O 1 ATOM 716 C CB . SER A 1 107 ? -11.837 76.906 31.459 1.00 28.05 ? 125 SER A CB 1 ATOM 717 O OG . SER A 1 107 ? -11.435 75.673 32.007 1.00 25.75 ? 125 SER A OG 1 ATOM 718 N N . LEU A 1 108 ? -9.178 76.033 29.683 1.00 21.75 ? 126 LEU A N 1 ATOM 719 C CA . LEU A 1 108 ? -7.716 75.978 29.531 1.00 24.71 ? 126 LEU A CA 1 ATOM 720 C C . LEU A 1 108 ? -7.266 76.752 28.283 1.00 23.50 ? 126 LEU A C 1 ATOM 721 O O . LEU A 1 108 ? -6.343 77.564 28.343 1.00 20.54 ? 126 LEU A O 1 ATOM 722 C CB . LEU A 1 108 ? -7.230 74.534 29.453 1.00 25.25 ? 126 LEU A CB 1 ATOM 723 C CG . LEU A 1 108 ? -5.699 74.363 29.401 1.00 26.39 ? 126 LEU A CG 1 ATOM 724 C CD1 . LEU A 1 108 ? -5.050 74.882 30.667 1.00 22.63 ? 126 LEU A CD1 1 ATOM 725 C CD2 . LEU A 1 108 ? -5.368 72.891 29.157 1.00 27.37 ? 126 LEU A CD2 1 ATOM 726 N N . VAL A 1 109 ? -7.966 76.530 27.180 1.00 22.26 ? 127 VAL A N 1 ATOM 727 C CA . VAL A 1 109 ? -7.714 77.263 25.946 1.00 22.30 ? 127 VAL A CA 1 ATOM 728 C C . VAL A 1 109 ? -7.895 78.761 26.179 1.00 23.32 ? 127 VAL A C 1 ATOM 729 O O . VAL A 1 109 ? -7.042 79.559 25.795 1.00 20.38 ? 127 VAL A O 1 ATOM 730 C CB . VAL A 1 109 ? -8.614 76.764 24.800 1.00 20.66 ? 127 VAL A CB 1 ATOM 731 C CG1 . VAL A 1 109 ? -8.482 77.667 23.554 1.00 23.23 ? 127 VAL A CG1 1 ATOM 732 C CG2 . VAL A 1 109 ? -8.258 75.340 24.458 1.00 21.35 ? 127 VAL A CG2 1 ATOM 733 N N . LEU A 1 110 ? -8.985 79.126 26.857 1.00 22.55 ? 128 LEU A N 1 ATOM 734 C CA . LEU A 1 110 ? -9.305 80.521 27.119 1.00 25.10 ? 128 LEU A CA 1 ATOM 735 C C . LEU A 1 110 ? -8.246 81.176 28.022 1.00 23.01 ? 128 LEU A C 1 ATOM 736 O O . LEU A 1 110 ? -7.828 82.323 27.792 1.00 23.34 ? 128 LEU A O 1 ATOM 737 C CB . LEU A 1 110 ? -10.698 80.609 27.750 1.00 26.91 ? 128 LEU A CB 1 ATOM 738 C CG . LEU A 1 110 ? -11.433 81.925 27.671 1.00 38.28 ? 128 LEU A CG 1 ATOM 739 C CD1 . LEU A 1 110 ? -11.658 82.312 26.206 1.00 34.29 ? 128 LEU A CD1 1 ATOM 740 C CD2 . LEU A 1 110 ? -12.764 81.805 28.436 1.00 39.98 ? 128 LEU A CD2 1 ATOM 741 N N . SER A 1 111 ? -7.810 80.440 29.033 1.00 22.72 ? 129 SER A N 1 ATOM 742 C CA . SER A 1 111 ? -6.794 80.932 29.956 1.00 25.36 ? 129 SER A CA 1 ATOM 743 C C . SER A 1 111 ? -5.476 81.156 29.205 1.00 24.45 ? 129 SER A C 1 ATOM 744 O O . SER A 1 111 ? -4.826 82.186 29.373 1.00 24.65 ? 129 SER A O 1 ATOM 745 C CB . SER A 1 111 ? -6.622 79.954 31.130 1.00 28.25 ? 129 SER A CB 1 ATOM 746 O OG . SER A 1 111 ? -5.586 80.370 31.999 1.00 32.60 ? 129 SER A OG 1 ATOM 747 N N . ASP A 1 112 ? -5.106 80.200 28.356 1.00 23.27 ? 130 ASP A N 1 ATOM 748 C CA . ASP A 1 112 ? -3.916 80.317 27.517 1.00 22.47 ? 130 ASP A CA 1 ATOM 749 C C . ASP A 1 112 ? -3.981 81.514 26.555 1.00 21.93 ? 130 ASP A C 1 ATOM 750 O O . ASP A 1 112 ? -2.996 82.227 26.399 1.00 20.67 ? 130 ASP A O 1 ATOM 751 C CB . ASP A 1 112 ? -3.719 79.050 26.679 1.00 23.13 ? 130 ASP A CB 1 ATOM 752 C CG . ASP A 1 112 ? -3.327 77.836 27.495 1.00 23.70 ? 130 ASP A CG 1 ATOM 753 O OD1 . ASP A 1 112 ? -3.035 77.948 28.713 1.00 22.11 ? 130 ASP A OD1 1 ATOM 754 O OD2 . ASP A 1 112 ? -3.295 76.740 26.875 1.00 24.61 ? 130 ASP A OD2 1 ATOM 755 N N . LEU A 1 113 ? -5.126 81.705 25.895 1.00 21.16 ? 131 LEU A N 1 ATOM 756 C CA . LEU A 1 113 ? -5.320 82.827 24.964 1.00 21.38 ? 131 LEU A CA 1 ATOM 757 C C . LEU A 1 113 ? -5.113 84.172 25.663 1.00 23.64 ? 131 LEU A C 1 ATOM 758 O O . LEU A 1 113 ? -4.389 85.042 25.147 1.00 21.72 ? 131 LEU A O 1 ATOM 759 C CB . LEU A 1 113 ? -6.708 82.790 24.305 1.00 20.74 ? 131 LEU A CB 1 ATOM 760 C CG . LEU A 1 113 ? -6.869 81.728 23.210 1.00 22.84 ? 131 LEU A CG 1 ATOM 761 C CD1 . LEU A 1 113 ? -8.336 81.502 22.854 1.00 20.95 ? 131 LEU A CD1 1 ATOM 762 C CD2 . LEU A 1 113 ? -6.084 82.093 21.970 1.00 22.61 ? 131 LEU A CD2 1 ATOM 763 N N . ASN A 1 114 ? -5.734 84.333 26.830 1.00 24.03 ? 132 ASN A N 1 ATOM 764 C CA . ASN A 1 114 ? -5.579 85.558 27.628 1.00 25.67 ? 132 ASN A CA 1 ATOM 765 C C . ASN A 1 114 ? -4.115 85.796 28.067 1.00 26.34 ? 132 ASN A C 1 ATOM 766 O O . ASN A 1 114 ? -3.593 86.922 27.949 1.00 25.20 ? 132 ASN A O 1 ATOM 767 C CB . ASN A 1 114 ? -6.546 85.552 28.813 1.00 26.62 ? 132 ASN A CB 1 ATOM 768 C CG . ASN A 1 114 ? -7.992 85.800 28.382 1.00 33.16 ? 132 ASN A CG 1 ATOM 769 O OD1 . ASN A 1 114 ? -8.265 86.759 27.677 1.00 32.14 ? 132 ASN A OD1 1 ATOM 770 N ND2 . ASN A 1 114 ? -8.911 84.932 28.793 1.00 33.79 ? 132 ASN A ND2 1 ATOM 771 N N . ALA A 1 115 ? -3.446 84.737 28.520 1.00 23.69 ? 133 ALA A N 1 ATOM 772 C CA . ALA A 1 115 ? -2.053 84.838 28.976 1.00 24.19 ? 133 ALA A CA 1 ATOM 773 C C . ALA A 1 115 ? -1.141 85.172 27.801 1.00 23.08 ? 133 ALA A C 1 ATOM 774 O O . ALA A 1 115 ? -0.276 86.045 27.901 1.00 22.68 ? 133 ALA A O 1 ATOM 775 C CB . ALA A 1 115 ? -1.597 83.536 29.660 1.00 24.40 ? 133 ALA A CB 1 ATOM 776 N N . LEU A 1 116 ? -1.351 84.494 26.682 1.00 20.80 ? 134 LEU A N 1 ATOM 777 C CA . LEU A 1 116 ? -0.548 84.735 25.485 1.00 22.47 ? 134 LEU A CA 1 ATOM 778 C C . LEU A 1 116 ? -0.763 86.134 24.905 1.00 23.94 ? 134 LEU A C 1 ATOM 779 O O . LEU A 1 116 ? 0.192 86.767 24.462 1.00 21.38 ? 134 LEU A O 1 ATOM 780 C CB . LEU A 1 116 ? -0.814 83.666 24.426 1.00 21.80 ? 134 LEU A CB 1 ATOM 781 C CG . LEU A 1 116 ? -0.244 82.287 24.781 1.00 23.34 ? 134 LEU A CG 1 ATOM 782 C CD1 . LEU A 1 116 ? -0.802 81.246 23.834 1.00 22.44 ? 134 LEU A CD1 1 ATOM 783 C CD2 . LEU A 1 116 ? 1.287 82.294 24.772 1.00 23.70 ? 134 LEU A CD2 1 ATOM 784 N N . GLN A 1 117 ? -1.998 86.633 24.908 1.00 22.25 ? 135 GLN A N 1 ATOM 785 C CA . GLN A 1 117 ? -2.220 87.983 24.413 1.00 22.67 ? 135 GLN A CA 1 ATOM 786 C C . GLN A 1 117 ? -1.508 89.020 25.302 1.00 25.50 ? 135 GLN A C 1 ATOM 787 O O . GLN A 1 117 ? -0.845 89.929 24.781 1.00 22.88 ? 135 GLN A O 1 ATOM 788 C CB . GLN A 1 117 ? -3.708 88.323 24.283 1.00 26.09 ? 135 GLN A CB 1 ATOM 789 C CG . GLN A 1 117 ? -3.920 89.705 23.679 1.00 27.02 ? 135 GLN A CG 1 ATOM 790 C CD . GLN A 1 117 ? -5.367 90.068 23.424 1.00 32.90 ? 135 GLN A CD 1 ATOM 791 O OE1 . GLN A 1 117 ? -6.295 89.428 23.926 1.00 30.25 ? 135 GLN A OE1 1 ATOM 792 N NE2 . GLN A 1 117 ? -5.564 91.124 22.638 1.00 40.22 ? 135 GLN A NE2 1 ATOM 793 N N . SER A 1 118 ? -1.659 88.894 26.619 1.00 22.51 ? 136 SER A N 1 ATOM 794 C CA . SER A 1 118 ? -0.978 89.776 27.557 1.00 27.07 ? 136 SER A CA 1 ATOM 795 C C . SER A 1 118 ? 0.553 89.750 27.370 1.00 27.29 ? 136 SER A C 1 ATOM 796 O O . SER A 1 118 ? 1.204 90.813 27.282 1.00 26.88 ? 136 SER A O 1 ATOM 797 C CB . SER A 1 118 ? -1.389 89.436 29.004 1.00 28.32 ? 136 SER A CB 1 ATOM 798 O OG . SER A 1 118 ? -0.663 90.222 29.922 1.00 38.93 ? 136 SER A OG 1 ATOM 799 N N . LYS A 1 119 ? 1.122 88.551 27.255 1.00 24.32 ? 137 LYS A N 1 ATOM 800 C CA . LYS A 1 119 ? 2.574 88.406 27.099 1.00 25.50 ? 137 LYS A CA 1 ATOM 801 C C . LYS A 1 119 ? 3.062 88.944 25.745 1.00 24.17 ? 137 LYS A C 1 ATOM 802 O O . LYS A 1 119 ? 4.110 89.594 25.681 1.00 22.85 ? 137 LYS A O 1 ATOM 803 C CB . LYS A 1 119 ? 3.013 86.951 27.330 1.00 24.24 ? 137 LYS A CB 1 ATOM 804 C CG . LYS A 1 119 ? 2.826 86.512 28.787 1.00 27.96 ? 137 LYS A CG 1 ATOM 805 C CD . LYS A 1 119 ? 3.078 85.033 29.019 1.00 25.91 ? 137 LYS A CD 1 ATOM 806 C CE . LYS A 1 119 ? 2.782 84.656 30.478 1.00 28.74 ? 137 LYS A CE 1 ATOM 807 N NZ . LYS A 1 119 ? 3.665 85.343 31.488 1.00 28.47 ? 137 LYS A NZ 1 ATOM 808 N N . THR A 1 120 ? 2.294 88.691 24.694 1.00 22.16 ? 138 THR A N 1 ATOM 809 C CA . THR A 1 120 ? 2.614 89.177 23.352 1.00 23.96 ? 138 THR A CA 1 ATOM 810 C C . THR A 1 120 ? 2.538 90.713 23.312 1.00 24.86 ? 138 THR A C 1 ATOM 811 O O . THR A 1 120 ? 3.405 91.365 22.744 1.00 22.21 ? 138 THR A O 1 ATOM 812 C CB . THR A 1 120 ? 1.682 88.564 22.291 1.00 23.78 ? 138 THR A CB 1 ATOM 813 O OG1 . THR A 1 120 ? 1.831 87.132 22.286 1.00 23.08 ? 138 THR A OG1 1 ATOM 814 C CG2 . THR A 1 120 ? 1.998 89.138 20.905 1.00 23.64 ? 138 THR A CG2 1 ATOM 815 N N . ASP A 1 121 ? 1.534 91.283 23.969 1.00 22.16 ? 139 ASP A N 1 ATOM 816 C CA . ASP A 1 121 ? 1.416 92.736 24.039 1.00 24.01 ? 139 ASP A CA 1 ATOM 817 C C . ASP A 1 121 ? 2.590 93.390 24.781 1.00 24.45 ? 139 ASP A C 1 ATOM 818 O O . ASP A 1 121 ? 3.079 94.437 24.352 1.00 24.35 ? 139 ASP A O 1 ATOM 819 C CB . ASP A 1 121 ? 0.079 93.116 24.663 1.00 26.21 ? 139 ASP A CB 1 ATOM 820 C CG . ASP A 1 121 ? -1.078 92.821 23.741 1.00 31.29 ? 139 ASP A CG 1 ATOM 821 O OD1 . ASP A 1 121 ? -0.800 92.530 22.550 1.00 29.95 ? 139 ASP A OD1 1 ATOM 822 O OD2 . ASP A 1 121 ? -2.241 92.908 24.191 1.00 31.84 ? 139 ASP A OD2 1 ATOM 823 N N . ALA A 1 122 ? 3.046 92.761 25.861 1.00 23.79 ? 140 ALA A N 1 ATOM 824 C CA . ALA A 1 122 ? 4.199 93.242 26.613 1.00 26.44 ? 140 ALA A CA 1 ATOM 825 C C . ALA A 1 122 ? 5.469 93.203 25.755 1.00 25.81 ? 140 ALA A C 1 ATOM 826 O O . ALA A 1 122 ? 6.272 94.133 25.783 1.00 27.16 ? 140 ALA A O 1 ATOM 827 C CB . ALA A 1 122 ? 4.384 92.436 27.917 1.00 27.06 ? 140 ALA A CB 1 ATOM 828 N N . LEU A 1 123 ? 5.643 92.127 25.004 1.00 22.76 ? 141 LEU A N 1 ATOM 829 C CA . LEU A 1 123 ? 6.775 91.990 24.093 1.00 23.95 ? 141 LEU A CA 1 ATOM 830 C C . LEU A 1 123 ? 6.754 93.076 23.031 1.00 25.31 ? 141 LEU A C 1 ATOM 831 O O . LEU A 1 123 ? 7.780 93.726 22.783 1.00 24.97 ? 141 LEU A O 1 ATOM 832 C CB . LEU A 1 123 ? 6.783 90.604 23.432 1.00 19.52 ? 141 LEU A CB 1 ATOM 833 C CG . LEU A 1 123 ? 7.833 90.376 22.327 1.00 23.26 ? 141 LEU A CG 1 ATOM 834 C CD1 . LEU A 1 123 ? 9.279 90.702 22.840 1.00 20.47 ? 141 LEU A CD1 1 ATOM 835 C CD2 . LEU A 1 123 ? 7.724 88.951 21.760 1.00 21.44 ? 141 LEU A CD2 1 ATOM 836 N N . SER A 1 124 ? 5.594 93.270 22.409 1.00 21.54 ? 142 SER A N 1 ATOM 837 C CA . SER A 1 124 ? 5.441 94.297 21.377 1.00 24.75 ? 142 SER A CA 1 ATOM 838 C C . SER A 1 124 ? 5.787 95.677 21.928 1.00 25.16 ? 142 SER A C 1 ATOM 839 O O . SER A 1 124 ? 6.513 96.446 21.287 1.00 24.23 ? 142 SER A O 1 ATOM 840 C CB . SER A 1 124 ? 4.028 94.296 20.803 1.00 23.99 ? 142 SER A CB 1 ATOM 841 O OG . SER A 1 124 ? 3.886 95.317 19.836 1.00 25.73 ? 142 SER A OG 1 ATOM 842 N N . GLY A 1 125 ? 5.287 95.981 23.121 1.00 25.24 ? 143 GLY A N 1 ATOM 843 C CA . GLY A 1 125 ? 5.623 97.238 23.805 1.00 29.39 ? 143 GLY A CA 1 ATOM 844 C C . GLY A 1 125 ? 7.118 97.433 24.014 1.00 29.64 ? 143 GLY A C 1 ATOM 845 O O . GLY A 1 125 ? 7.649 98.533 23.801 1.00 29.20 ? 143 GLY A O 1 ATOM 846 N N . ALA A 1 126 ? 7.795 96.373 24.446 1.00 28.79 ? 144 ALA A N 1 ATOM 847 C CA . ALA A 1 126 ? 9.245 96.417 24.690 1.00 31.67 ? 144 ALA A CA 1 ATOM 848 C C . ALA A 1 126 ? 10.042 96.614 23.389 1.00 30.08 ? 144 ALA A C 1 ATOM 849 O O . ALA A 1 126 ? 11.022 97.367 23.366 1.00 30.04 ? 144 ALA A O 1 ATOM 850 C CB . ALA A 1 126 ? 9.698 95.148 25.406 1.00 31.86 ? 144 ALA A CB 1 ATOM 851 N N . LEU A 1 127 ? 9.616 95.959 22.310 1.00 26.29 ? 145 LEU A N 1 ATOM 852 C CA . LEU A 1 127 ? 10.249 96.142 20.995 1.00 25.65 ? 145 LEU A CA 1 ATOM 853 C C . LEU A 1 127 ? 9.969 97.540 20.411 1.00 28.71 ? 145 LEU A C 1 ATOM 854 O O . LEU A 1 127 ? 10.860 98.174 19.832 1.00 29.15 ? 145 LEU A O 1 ATOM 855 C CB . LEU A 1 127 ? 9.810 95.049 20.021 1.00 25.22 ? 145 LEU A CB 1 ATOM 856 C CG . LEU A 1 127 ? 10.143 93.616 20.477 1.00 26.86 ? 145 LEU A CG 1 ATOM 857 C CD1 . LEU A 1 127 ? 9.597 92.584 19.517 1.00 25.78 ? 145 LEU A CD1 1 ATOM 858 C CD2 . LEU A 1 127 ? 11.646 93.433 20.680 1.00 27.96 ? 145 LEU A CD2 1 ATOM 859 N N . GLN A 1 128 ? 8.742 98.029 20.571 1.00 26.60 ? 146 GLN A N 1 ATOM 860 C CA . GLN A 1 128 ? 8.413 99.385 20.113 1.00 29.38 ? 146 GLN A CA 1 ATOM 861 C C . GLN A 1 128 ? 9.294 100.435 20.780 1.00 31.30 ? 146 GLN A C 1 ATOM 862 O O . GLN A 1 128 ? 9.669 101.429 20.165 1.00 34.08 ? 146 GLN A O 1 ATOM 863 C CB . GLN A 1 128 ? 6.958 99.716 20.426 1.00 29.14 ? 146 GLN A CB 1 ATOM 864 C CG . GLN A 1 128 ? 5.952 99.023 19.510 1.00 27.28 ? 146 GLN A CG 1 ATOM 865 C CD . GLN A 1 128 ? 4.530 99.308 19.934 1.00 32.93 ? 146 GLN A CD 1 ATOM 866 O OE1 . GLN A 1 128 ? 4.158 100.464 20.093 1.00 31.87 ? 146 GLN A OE1 1 ATOM 867 N NE2 . GLN A 1 128 ? 3.732 98.253 20.138 1.00 27.66 ? 146 GLN A NE2 1 ATOM 868 N N . ASP A 1 129 ? 9.588 100.215 22.057 1.00 31.99 ? 147 ASP A N 1 ATOM 869 C CA A ASP A 1 129 ? 10.340 101.192 22.845 0.50 35.33 ? 147 ASP A CA 1 ATOM 870 C CA B ASP A 1 129 ? 10.363 101.150 22.859 0.50 34.71 ? 147 ASP A CA 1 ATOM 871 C C . ASP A 1 129 ? 11.782 101.371 22.340 1.00 35.16 ? 147 ASP A C 1 ATOM 872 O O . ASP A 1 129 ? 12.355 102.470 22.483 1.00 39.15 ? 147 ASP A O 1 ATOM 873 C CB A ASP A 1 129 ? 10.322 100.828 24.343 0.50 36.02 ? 147 ASP A CB 1 ATOM 874 C CB B ASP A 1 129 ? 10.446 100.644 24.295 0.50 34.99 ? 147 ASP A CB 1 ATOM 875 C CG A ASP A 1 129 ? 9.036 101.285 25.056 0.50 39.62 ? 147 ASP A CG 1 ATOM 876 C CG B ASP A 1 129 ? 10.866 101.717 25.239 0.50 37.90 ? 147 ASP A CG 1 ATOM 877 O OD1 A ASP A 1 129 ? 8.269 102.095 24.478 0.50 42.42 ? 147 ASP A OD1 1 ATOM 878 O OD1 B ASP A 1 129 ? 10.559 102.885 24.926 0.50 40.70 ? 147 ASP A OD1 1 ATOM 879 O OD2 A ASP A 1 129 ? 8.807 100.848 26.209 0.50 38.06 ? 147 ASP A OD2 1 ATOM 880 O OD2 B ASP A 1 129 ? 11.497 101.405 26.269 0.50 44.43 ? 147 ASP A OD2 1 ATOM 881 N N . ILE A 1 130 ? 12.360 100.323 21.755 1.00 33.29 ? 148 ILE A N 1 ATOM 882 C CA . ILE A 1 130 ? 13.751 100.365 21.273 1.00 34.50 ? 148 ILE A CA 1 ATOM 883 C C . ILE A 1 130 ? 13.880 100.477 19.748 1.00 35.20 ? 148 ILE A C 1 ATOM 884 O O . ILE A 1 130 ? 14.990 100.646 19.227 1.00 32.42 ? 148 ILE A O 1 ATOM 885 C CB . ILE A 1 130 ? 14.584 99.148 21.790 1.00 34.89 ? 148 ILE A CB 1 ATOM 886 C CG1 . ILE A 1 130 ? 13.970 97.809 21.357 1.00 32.59 ? 148 ILE A CG1 1 ATOM 887 C CG2 . ILE A 1 130 ? 14.733 99.216 23.306 1.00 33.27 ? 148 ILE A CG2 1 ATOM 888 C CD1 . ILE A 1 130 ? 14.813 96.599 21.741 1.00 31.48 ? 148 ILE A CD1 1 ATOM 889 N N . ALA A 1 131 ? 12.753 100.379 19.042 1.00 30.52 ? 149 ALA A N 1 ATOM 890 C CA . ALA A 1 131 ? 12.726 100.537 17.592 1.00 31.26 ? 149 ALA A CA 1 ATOM 891 C C . ALA A 1 131 ? 12.877 102.011 17.198 1.00 31.80 ? 149 ALA A C 1 ATOM 892 O O . ALA A 1 131 ? 12.696 102.927 18.030 1.00 35.25 ? 149 ALA A O 1 ATOM 893 C CB . ALA A 1 131 ? 11.407 99.963 17.025 1.00 25.27 ? 149 ALA A CB 1 ATOM 894 N N . THR A 1 132 ? 13.217 102.238 15.931 1.00 33.08 ? 150 THR A N 1 ATOM 895 C CA . THR A 1 132 ? 13.186 103.577 15.359 1.00 35.72 ? 150 THR A CA 1 ATOM 896 C C . THR A 1 132 ? 11.731 104.049 15.325 1.00 37.69 ? 150 THR A C 1 ATOM 897 O O . THR A 1 132 ? 10.792 103.227 15.345 1.00 34.49 ? 150 THR A O 1 ATOM 898 C CB . THR A 1 132 ? 13.772 103.617 13.926 1.00 37.19 ? 150 THR A CB 1 ATOM 899 O OG1 . THR A 1 132 ? 12.974 102.803 13.054 1.00 35.36 ? 150 THR A OG1 1 ATOM 900 C CG2 . THR A 1 132 ? 15.227 103.131 13.907 1.00 37.78 ? 150 THR A CG2 1 ATOM 901 N N . ALA A 1 133 ? 11.550 105.366 15.269 1.00 38.38 ? 151 ALA A N 1 ATOM 902 C CA . ALA A 1 133 ? 10.224 105.981 15.308 1.00 40.85 ? 151 ALA A CA 1 ATOM 903 C C . ALA A 1 133 ? 9.277 105.400 14.256 1.00 41.39 ? 151 ALA A C 1 ATOM 904 O O . ALA A 1 133 ? 8.116 105.098 14.557 1.00 41.38 ? 151 ALA A O 1 ATOM 905 C CB . ALA A 1 133 ? 10.343 107.518 15.142 1.00 44.39 ? 151 ALA A CB 1 ATOM 906 N N . THR A 1 134 ? 9.775 105.231 13.029 1.00 39.56 ? 152 THR A N 1 ATOM 907 C CA . THR A 1 134 ? 8.971 104.666 11.944 1.00 40.16 ? 152 THR A CA 1 ATOM 908 C C . THR A 1 134 ? 8.638 103.181 12.162 1.00 36.14 ? 152 THR A C 1 ATOM 909 O O . THR A 1 134 ? 7.485 102.753 11.984 1.00 34.43 ? 152 THR A O 1 ATOM 910 C CB . THR A 1 134 ? 9.666 104.846 10.579 1.00 40.35 ? 152 THR A CB 1 ATOM 911 O OG1 . THR A 1 134 ? 9.834 106.245 10.316 1.00 48.45 ? 152 THR A OG1 1 ATOM 912 C CG2 . THR A 1 134 ? 8.834 104.223 9.457 1.00 48.71 ? 152 THR A CG2 1 ATOM 913 N N . ASP A 1 135 ? 9.635 102.390 12.545 1.00 33.71 ? 153 ASP A N 1 ATOM 914 C CA . ASP A 1 135 ? 9.394 100.973 12.832 1.00 32.61 ? 153 ASP A CA 1 ATOM 915 C C . ASP A 1 135 ? 8.430 100.783 14.007 1.00 32.32 ? 153 ASP A C 1 ATOM 916 O O . ASP A 1 135 ? 7.665 99.809 14.031 1.00 28.70 ? 153 ASP A O 1 ATOM 917 C CB . ASP A 1 135 ? 10.703 100.228 13.118 1.00 31.67 ? 153 ASP A CB 1 ATOM 918 C CG . ASP A 1 135 ? 11.543 99.993 11.860 1.00 36.10 ? 153 ASP A CG 1 ATOM 919 O OD1 . ASP A 1 135 ? 11.004 100.088 10.728 1.00 35.73 ? 153 ASP A OD1 1 ATOM 920 O OD2 . ASP A 1 135 ? 12.752 99.709 12.007 1.00 36.03 ? 153 ASP A OD2 1 ATOM 921 N N . LYS A 1 136 ? 8.461 101.694 14.977 1.00 33.93 ? 154 LYS A N 1 ATOM 922 C CA . LYS A 1 136 ? 7.535 101.617 16.112 1.00 33.91 ? 154 LYS A CA 1 ATOM 923 C C . LYS A 1 136 ? 6.096 101.637 15.609 1.00 31.97 ? 154 LYS A C 1 ATOM 924 O O . LYS A 1 136 ? 5.282 100.828 16.031 1.00 30.32 ? 154 LYS A O 1 ATOM 925 C CB . LYS A 1 136 ? 7.766 102.756 17.105 1.00 38.57 ? 154 LYS A CB 1 ATOM 926 C CG . LYS A 1 136 ? 6.727 102.828 18.238 1.00 43.36 ? 154 LYS A CG 1 ATOM 927 C CD . LYS A 1 136 ? 7.182 103.783 19.349 1.00 55.97 ? 154 LYS A CD 1 ATOM 928 C CE . LYS A 1 136 ? 6.273 103.734 20.583 1.00 59.82 ? 154 LYS A CE 1 ATOM 929 N NZ . LYS A 1 136 ? 4.835 103.959 20.263 1.00 63.01 ? 154 LYS A NZ 1 ATOM 930 N N . ASP A 1 137 ? 5.796 102.549 14.686 1.00 33.67 ? 155 ASP A N 1 ATOM 931 C CA . ASP A 1 137 ? 4.451 102.644 14.112 1.00 36.81 ? 155 ASP A CA 1 ATOM 932 C C . ASP A 1 137 ? 4.091 101.353 13.377 1.00 34.30 ? 155 ASP A C 1 ATOM 933 O O . ASP A 1 137 ? 2.955 100.873 13.475 1.00 31.36 ? 155 ASP A O 1 ATOM 934 C CB . ASP A 1 137 ? 4.333 103.853 13.168 1.00 40.73 ? 155 ASP A CB 1 ATOM 935 C CG . ASP A 1 137 ? 4.433 105.202 13.904 1.00 46.05 ? 155 ASP A CG 1 ATOM 936 O OD1 . ASP A 1 137 ? 4.108 105.270 15.114 1.00 47.96 ? 155 ASP A OD1 1 ATOM 937 O OD2 . ASP A 1 137 ? 4.841 106.194 13.263 1.00 47.19 ? 155 ASP A OD2 1 ATOM 938 N N . THR A 1 138 ? 5.064 100.777 12.668 1.00 32.26 ? 156 THR A N 1 ATOM 939 C CA . THR A 1 138 ? 4.846 99.524 11.929 1.00 31.35 ? 156 THR A CA 1 ATOM 940 C C . THR A 1 138 ? 4.536 98.369 12.887 1.00 27.85 ? 156 THR A C 1 ATOM 941 O O . THR A 1 138 ? 3.606 97.584 12.658 1.00 26.68 ? 156 THR A O 1 ATOM 942 C CB . THR A 1 138 ? 6.061 99.194 11.014 1.00 32.11 ? 156 THR A CB 1 ATOM 943 O OG1 . THR A 1 138 ? 6.258 100.271 10.088 1.00 34.62 ? 156 THR A OG1 1 ATOM 944 C CG2 . THR A 1 138 ? 5.851 97.921 10.234 1.00 31.17 ? 156 THR A CG2 1 ATOM 945 N N . ILE A 1 139 ? 5.305 98.276 13.968 1.00 24.57 ? 157 ILE A N 1 ATOM 946 C CA . ILE A 1 139 ? 5.100 97.233 14.972 1.00 25.92 ? 157 ILE A CA 1 ATOM 947 C C . ILE A 1 139 ? 3.731 97.399 15.635 1.00 26.70 ? 157 ILE A C 1 ATOM 948 O O . ILE A 1 139 ? 2.993 96.425 15.808 1.00 25.12 ? 157 ILE A O 1 ATOM 949 C CB . ILE A 1 139 ? 6.214 97.239 16.037 1.00 24.84 ? 157 ILE A CB 1 ATOM 950 C CG1 . ILE A 1 139 ? 7.557 96.824 15.413 1.00 24.37 ? 157 ILE A CG1 1 ATOM 951 C CG2 . ILE A 1 139 ? 5.857 96.299 17.179 1.00 24.06 ? 157 ILE A CG2 1 ATOM 952 C CD1 . ILE A 1 139 ? 8.782 97.133 16.307 1.00 27.93 ? 157 ILE A CD1 1 ATOM 953 N N . ALA A 1 140 ? 3.390 98.642 15.991 1.00 28.66 ? 158 ALA A N 1 ATOM 954 C CA . ALA A 1 140 ? 2.098 98.936 16.616 1.00 29.80 ? 158 ALA A CA 1 ATOM 955 C C . ALA A 1 140 ? 0.923 98.532 15.715 1.00 29.97 ? 158 ALA A C 1 ATOM 956 O O . ALA A 1 140 ? -0.057 97.971 16.193 1.00 28.16 ? 158 ALA A O 1 ATOM 957 C CB . ALA A 1 140 ? 2.004 100.434 16.995 1.00 32.50 ? 158 ALA A CB 1 ATOM 958 N N . SER A 1 141 ? 1.011 98.846 14.423 1.00 31.29 ? 159 SER A N 1 ATOM 959 C CA . SER A 1 141 ? -0.050 98.480 13.473 1.00 31.95 ? 159 SER A CA 1 ATOM 960 C C . SER A 1 141 ? -0.179 96.970 13.355 1.00 29.94 ? 159 SER A C 1 ATOM 961 O O . SER A 1 141 ? -1.285 96.432 13.453 1.00 31.87 ? 159 SER A O 1 ATOM 962 C CB . SER A 1 141 ? 0.188 99.108 12.099 1.00 34.65 ? 159 SER A CB 1 ATOM 963 O OG . SER A 1 141 ? 0.290 100.517 12.213 1.00 41.89 ? 159 SER A OG 1 ATOM 964 N N . GLY A 1 142 ? 0.950 96.285 13.198 1.00 28.99 ? 160 GLY A N 1 ATOM 965 C CA . GLY A 1 142 ? 0.966 94.826 13.180 1.00 28.65 ? 160 GLY A CA 1 ATOM 966 C C . GLY A 1 142 ? 0.427 94.212 14.463 1.00 28.85 ? 160 GLY A C 1 ATOM 967 O O . GLY A 1 142 ? -0.257 93.185 14.431 1.00 25.07 ? 160 GLY A O 1 ATOM 968 N N . THR A 1 143 ? 0.723 94.845 15.599 1.00 24.33 ? 161 THR A N 1 ATOM 969 C CA . THR A 1 143 ? 0.255 94.353 16.886 1.00 24.90 ? 161 THR A CA 1 ATOM 970 C C . THR A 1 143 ? -1.257 94.521 17.037 1.00 24.50 ? 161 THR A C 1 ATOM 971 O O . THR A 1 143 ? -1.886 93.701 17.693 1.00 25.81 ? 161 THR A O 1 ATOM 972 C CB . THR A 1 143 ? 0.994 95.027 18.068 1.00 24.83 ? 161 THR A CB 1 ATOM 973 O OG1 . THR A 1 143 ? 2.403 94.840 17.908 1.00 25.98 ? 161 THR A OG1 1 ATOM 974 C CG2 . THR A 1 143 ? 0.562 94.424 19.400 1.00 23.86 ? 161 THR A CG2 1 ATOM 975 N N . GLN A 1 144 ? -1.825 95.575 16.450 1.00 25.12 ? 162 GLN A N 1 ATOM 976 C CA . GLN A 1 144 ? -3.276 95.740 16.426 1.00 26.07 ? 162 GLN A CA 1 ATOM 977 C C . GLN A 1 144 ? -3.922 94.550 15.713 1.00 27.74 ? 162 GLN A C 1 ATOM 978 O O . GLN A 1 144 ? -4.975 94.061 16.140 1.00 27.57 ? 162 GLN A O 1 ATOM 979 C CB . GLN A 1 144 ? -3.703 97.011 15.697 1.00 30.31 ? 162 GLN A CB 1 ATOM 980 C CG . GLN A 1 144 ? -3.496 98.304 16.438 1.00 37.86 ? 162 GLN A CG 1 ATOM 981 C CD . GLN A 1 144 ? -3.945 99.473 15.594 1.00 45.69 ? 162 GLN A CD 1 ATOM 982 O OE1 . GLN A 1 144 ? -3.127 100.181 15.008 1.00 51.90 ? 162 GLN A OE1 1 ATOM 983 N NE2 . GLN A 1 144 ? -5.252 99.649 15.487 1.00 43.04 ? 162 GLN A NE2 1 ATOM 984 N N . ASP A 1 145 ? -3.283 94.078 14.644 1.00 26.23 ? 163 ASP A N 1 ATOM 985 C CA . ASP A 1 145 ? -3.829 92.941 13.899 1.00 27.30 ? 163 ASP A CA 1 ATOM 986 C C . ASP A 1 145 ? -3.715 91.650 14.698 1.00 25.67 ? 163 ASP A C 1 ATOM 987 O O . ASP A 1 145 ? -4.631 90.822 14.680 1.00 25.59 ? 163 ASP A O 1 ATOM 988 C CB . ASP A 1 145 ? -3.129 92.768 12.560 1.00 27.70 ? 163 ASP A CB 1 ATOM 989 C CG . ASP A 1 145 ? -3.345 93.942 11.621 1.00 33.67 ? 163 ASP A CG 1 ATOM 990 O OD1 . ASP A 1 145 ? -4.359 94.669 11.738 1.00 32.50 ? 163 ASP A OD1 1 ATOM 991 O OD2 . ASP A 1 145 ? -2.477 94.117 10.747 1.00 36.61 ? 163 ASP A OD2 1 ATOM 992 N N . ILE A 1 146 ? -2.584 91.471 15.377 1.00 23.55 ? 164 ILE A N 1 ATOM 993 C CA . ILE A 1 146 ? -2.384 90.313 16.244 1.00 23.03 ? 164 ILE A CA 1 ATOM 994 C C . ILE A 1 146 ? -3.418 90.315 17.386 1.00 23.19 ? 164 ILE A C 1 ATOM 995 O O . ILE A 1 146 ? -4.042 89.294 17.659 1.00 22.28 ? 164 ILE A O 1 ATOM 996 C CB . ILE A 1 146 ? -0.940 90.251 16.790 1.00 22.72 ? 164 ILE A CB 1 ATOM 997 C CG1 . ILE A 1 146 ? 0.053 89.950 15.657 1.00 27.28 ? 164 ILE A CG1 1 ATOM 998 C CG2 . ILE A 1 146 ? -0.804 89.182 17.890 1.00 23.16 ? 164 ILE A CG2 1 ATOM 999 C CD1 . ILE A 1 146 ? 1.542 90.082 16.111 1.00 28.43 ? 164 ILE A CD1 1 ATOM 1000 N N . ASP A 1 147 ? -3.599 91.463 18.030 1.00 23.36 ? 165 ASP A N 1 ATOM 1001 C CA . ASP A 1 147 ? -4.605 91.611 19.087 1.00 23.40 ? 165 ASP A CA 1 ATOM 1002 C C . ASP A 1 147 ? -6.027 91.304 18.585 1.00 23.13 ? 165 ASP A C 1 ATOM 1003 O O . ASP A 1 147 ? -6.794 90.634 19.281 1.00 22.06 ? 165 ASP A O 1 ATOM 1004 C CB . ASP A 1 147 ? -4.556 93.011 19.711 1.00 25.36 ? 165 ASP A CB 1 ATOM 1005 C CG . ASP A 1 147 ? -3.348 93.206 20.612 1.00 30.61 ? 165 ASP A CG 1 ATOM 1006 O OD1 . ASP A 1 147 ? -2.820 92.186 21.123 1.00 28.92 ? 165 ASP A OD1 1 ATOM 1007 O OD2 . ASP A 1 147 ? -2.921 94.375 20.800 1.00 31.09 ? 165 ASP A OD2 1 ATOM 1008 N N . ALA A 1 148 ? -6.359 91.777 17.386 1.00 22.93 ? 166 ALA A N 1 ATOM 1009 C CA . ALA A 1 148 ? -7.665 91.512 16.799 1.00 25.48 ? 166 ALA A CA 1 ATOM 1010 C C . ALA A 1 148 ? -7.893 90.003 16.585 1.00 24.49 ? 166 ALA A C 1 ATOM 1011 O O . ALA A 1 148 ? -9.006 89.515 16.776 1.00 25.08 ? 166 ALA A O 1 ATOM 1012 C CB . ALA A 1 148 ? -7.825 92.273 15.495 1.00 25.62 ? 166 ALA A CB 1 ATOM 1013 N N . ALA A 1 149 ? -6.846 89.281 16.191 1.00 22.38 ? 167 ALA A N 1 ATOM 1014 C CA . ALA A 1 149 ? -6.942 87.831 15.979 1.00 24.08 ? 167 ALA A CA 1 ATOM 1015 C C . ALA A 1 149 ? -7.114 87.105 17.324 1.00 23.97 ? 167 ALA A C 1 ATOM 1016 O O . ALA A 1 149 ? -7.954 86.216 17.454 1.00 24.56 ? 167 ALA A O 1 ATOM 1017 C CB . ALA A 1 149 ? -5.716 87.315 15.220 1.00 21.69 ? 167 ALA A CB 1 ATOM 1018 N N . PHE A 1 150 ? -6.334 87.491 18.329 1.00 22.82 ? 168 PHE A N 1 ATOM 1019 C CA . PHE A 1 150 ? -6.546 86.979 19.690 1.00 23.51 ? 168 PHE A CA 1 ATOM 1020 C C . PHE A 1 150 ? -7.981 87.222 20.148 1.00 24.53 ? 168 PHE A C 1 ATOM 1021 O O . PHE A 1 150 ? -8.613 86.320 20.695 1.00 24.81 ? 168 PHE A O 1 ATOM 1022 C CB . PHE A 1 150 ? -5.590 87.634 20.704 1.00 23.22 ? 168 PHE A CB 1 ATOM 1023 C CG . PHE A 1 150 ? -4.290 86.922 20.848 1.00 23.65 ? 168 PHE A CG 1 ATOM 1024 C CD1 . PHE A 1 150 ? -4.236 85.676 21.458 1.00 22.62 ? 168 PHE A CD1 1 ATOM 1025 C CD2 . PHE A 1 150 ? -3.116 87.492 20.392 1.00 26.89 ? 168 PHE A CD2 1 ATOM 1026 C CE1 . PHE A 1 150 ? -3.036 84.987 21.592 1.00 24.99 ? 168 PHE A CE1 1 ATOM 1027 C CE2 . PHE A 1 150 ? -1.893 86.806 20.525 1.00 28.83 ? 168 PHE A CE2 1 ATOM 1028 C CZ . PHE A 1 150 ? -1.855 85.560 21.124 1.00 27.04 ? 168 PHE A CZ 1 ATOM 1029 N N . SER A 1 151 ? -8.488 88.436 19.940 1.00 21.68 ? 169 SER A N 1 ATOM 1030 C CA . SER A 1 151 ? -9.828 88.778 20.402 1.00 24.44 ? 169 SER A CA 1 ATOM 1031 C C . SER A 1 151 ? -10.891 87.906 19.734 1.00 26.67 ? 169 SER A C 1 ATOM 1032 O O . SER A 1 151 ? -11.858 87.486 20.382 1.00 24.50 ? 169 SER A O 1 ATOM 1033 C CB . SER A 1 151 ? -10.136 90.249 20.164 1.00 27.54 ? 169 SER A CB 1 ATOM 1034 O OG . SER A 1 151 ? -9.301 91.073 20.984 1.00 29.19 ? 169 SER A OG 1 ATOM 1035 N N . SER A 1 152 ? -10.694 87.639 18.449 1.00 24.85 ? 170 SER A N 1 ATOM 1036 C CA . SER A 1 152 ? -11.550 86.717 17.696 1.00 26.40 ? 170 SER A CA 1 ATOM 1037 C C . SER A 1 152 ? -11.551 85.301 18.294 1.00 24.48 ? 170 SER A C 1 ATOM 1038 O O . SER A 1 152 ? -12.611 84.745 18.574 1.00 26.00 ? 170 SER A O 1 ATOM 1039 C CB . SER A 1 152 ? -11.078 86.687 16.240 1.00 26.03 ? 170 SER A CB 1 ATOM 1040 O OG . SER A 1 152 ? -11.840 85.784 15.462 1.00 28.92 ? 170 SER A OG 1 ATOM 1041 N N . ALA A 1 153 ? -10.367 84.727 18.504 1.00 23.89 ? 171 ALA A N 1 ATOM 1042 C CA . ALA A 1 153 ? -10.257 83.375 19.095 1.00 25.41 ? 171 ALA A CA 1 ATOM 1043 C C . ALA A 1 153 ? -10.872 83.313 20.499 1.00 25.50 ? 171 ALA A C 1 ATOM 1044 O O . ALA A 1 153 ? -11.573 82.353 20.838 1.00 25.02 ? 171 ALA A O 1 ATOM 1045 C CB . ALA A 1 153 ? -8.796 82.892 19.120 1.00 21.97 ? 171 ALA A CB 1 ATOM 1046 N N . ILE A 1 154 ? -10.636 84.357 21.297 1.00 25.10 ? 172 ILE A N 1 ATOM 1047 C CA . ILE A 1 154 ? -11.196 84.458 22.644 1.00 25.93 ? 172 ILE A CA 1 ATOM 1048 C C . ILE A 1 154 ? -12.733 84.480 22.614 1.00 27.43 ? 172 ILE A C 1 ATOM 1049 O O . ILE A 1 154 ? -13.410 83.783 23.404 1.00 26.11 ? 172 ILE A O 1 ATOM 1050 C CB . ILE A 1 154 ? -10.615 85.712 23.382 1.00 23.66 ? 172 ILE A CB 1 ATOM 1051 C CG1 . ILE A 1 154 ? -9.130 85.483 23.703 1.00 28.39 ? 172 ILE A CG1 1 ATOM 1052 C CG2 . ILE A 1 154 ? -11.406 86.021 24.643 1.00 28.57 ? 172 ILE A CG2 1 ATOM 1053 C CD1 . ILE A 1 154 ? -8.333 86.771 24.003 1.00 28.69 ? 172 ILE A CD1 1 ATOM 1054 N N . ALA A 1 155 ? -13.289 85.253 21.683 1.00 28.03 ? 173 ALA A N 1 ATOM 1055 C CA . ALA A 1 155 ? -14.742 85.297 21.483 1.00 27.13 ? 173 ALA A CA 1 ATOM 1056 C C . ALA A 1 155 ? -15.313 83.914 21.142 1.00 29.75 ? 173 ALA A C 1 ATOM 1057 O O . ALA A 1 155 ? -16.358 83.517 21.664 1.00 28.92 ? 173 ALA A O 1 ATOM 1058 C CB . ALA A 1 155 ? -15.099 86.315 20.396 1.00 29.87 ? 173 ALA A CB 1 ATOM 1059 N N . VAL A 1 156 ? -14.616 83.167 20.293 1.00 28.69 ? 174 VAL A N 1 ATOM 1060 C CA . VAL A 1 156 ? -15.063 81.823 19.911 1.00 30.94 ? 174 VAL A CA 1 ATOM 1061 C C . VAL A 1 156 ? -15.172 80.927 21.148 1.00 33.08 ? 174 VAL A C 1 ATOM 1062 O O . VAL A 1 156 ? -16.174 80.227 21.328 1.00 32.50 ? 174 VAL A O 1 ATOM 1063 C CB . VAL A 1 156 ? -14.133 81.178 18.856 1.00 30.96 ? 174 VAL A CB 1 ATOM 1064 C CG1 . VAL A 1 156 ? -14.511 79.713 18.641 1.00 30.34 ? 174 VAL A CG1 1 ATOM 1065 C CG2 . VAL A 1 156 ? -14.196 81.951 17.507 1.00 27.64 ? 174 VAL A CG2 1 ATOM 1066 N N . PHE A 1 157 ? -14.160 81.001 22.015 1.00 30.70 ? 175 PHE A N 1 ATOM 1067 C CA . PHE A 1 157 ? -14.073 80.160 23.210 1.00 32.24 ? 175 PHE A CA 1 ATOM 1068 C C . PHE A 1 157 ? -14.720 80.700 24.490 1.00 38.14 ? 175 PHE A C 1 ATOM 1069 O O . PHE A 1 157 ? -14.554 80.106 25.562 1.00 40.30 ? 175 PHE A O 1 ATOM 1070 C CB . PHE A 1 157 ? -12.610 79.776 23.460 1.00 30.07 ? 175 PHE A CB 1 ATOM 1071 C CG . PHE A 1 157 ? -12.110 78.764 22.484 1.00 26.06 ? 175 PHE A CG 1 ATOM 1072 C CD1 . PHE A 1 157 ? -12.502 77.437 22.597 1.00 26.11 ? 175 PHE A CD1 1 ATOM 1073 C CD2 . PHE A 1 157 ? -11.313 79.136 21.415 1.00 26.38 ? 175 PHE A CD2 1 ATOM 1074 C CE1 . PHE A 1 157 ? -12.070 76.487 21.679 1.00 28.76 ? 175 PHE A CE1 1 ATOM 1075 C CE2 . PHE A 1 157 ? -10.890 78.187 20.467 1.00 25.96 ? 175 PHE A CE2 1 ATOM 1076 C CZ . PHE A 1 157 ? -11.261 76.867 20.611 1.00 27.32 ? 175 PHE A CZ 1 ATOM 1077 N N . SER A 1 158 ? -15.470 81.797 24.393 1.00 38.89 ? 176 SER A N 1 ATOM 1078 C CA . SER A 1 158 ? -16.271 82.262 25.529 1.00 43.25 ? 176 SER A CA 1 ATOM 1079 C C . SER A 1 158 ? -17.745 82.468 25.166 1.00 46.36 ? 176 SER A C 1 ATOM 1080 O O . SER A 1 158 ? -18.266 81.821 24.251 1.00 47.36 ? 176 SER A O 1 ATOM 1081 C CB . SER A 1 158 ? -15.666 83.531 26.115 1.00 44.60 ? 176 SER A CB 1 ATOM 1082 O OG . SER A 1 158 ? -15.209 84.394 25.108 1.00 45.16 ? 176 SER A OG 1 HETATM 1083 C C1 . MAN B 2 . ? -11.422 85.856 14.088 1.00 29.09 ? 201 MAN A C1 1 HETATM 1084 C C2 . MAN B 2 . ? -12.291 84.836 13.340 1.00 35.56 ? 201 MAN A C2 1 HETATM 1085 C C3 . MAN B 2 . ? -11.895 83.404 13.673 1.00 32.83 ? 201 MAN A C3 1 HETATM 1086 C C4 . MAN B 2 . ? -10.394 83.245 13.485 1.00 29.32 ? 201 MAN A C4 1 HETATM 1087 C C5 . MAN B 2 . ? -9.672 84.274 14.354 1.00 31.13 ? 201 MAN A C5 1 HETATM 1088 C C6 . MAN B 2 . ? -8.149 84.146 14.303 1.00 32.12 ? 201 MAN A C6 1 HETATM 1089 O O2 . MAN B 2 . ? -12.120 85.037 11.960 1.00 36.86 ? 201 MAN A O2 1 HETATM 1090 O O3 . MAN B 2 . ? -12.584 82.486 12.851 1.00 35.95 ? 201 MAN A O3 1 HETATM 1091 O O4 . MAN B 2 . ? -9.982 81.948 13.829 1.00 29.57 ? 201 MAN A O4 1 HETATM 1092 O O5 . MAN B 2 . ? -10.050 85.561 13.901 1.00 26.90 ? 201 MAN A O5 1 HETATM 1093 O O6 . MAN B 2 . ? -7.671 84.321 12.993 1.00 29.04 ? 201 MAN A O6 1 HETATM 1094 C C1 . PLM C 3 . ? -5.303 72.190 23.628 1.00 50.75 ? 202 PLM A C1 1 HETATM 1095 O O1 . PLM C 3 . ? -6.162 71.292 23.496 1.00 62.65 ? 202 PLM A O1 1 HETATM 1096 O O2 . PLM C 3 . ? -4.436 72.331 22.739 1.00 61.10 ? 202 PLM A O2 1 HETATM 1097 C C2 . PLM C 3 . ? -5.321 73.091 24.831 1.00 47.59 ? 202 PLM A C2 1 HETATM 1098 C C3 . PLM C 3 . ? -3.910 73.540 25.213 1.00 37.55 ? 202 PLM A C3 1 HETATM 1099 C C4 . PLM C 3 . ? -3.293 74.648 24.364 1.00 33.35 ? 202 PLM A C4 1 HETATM 1100 C C5 . PLM C 3 . ? -4.244 75.759 23.953 1.00 32.37 ? 202 PLM A C5 1 HETATM 1101 C C6 . PLM C 3 . ? -3.464 76.985 23.503 1.00 34.48 ? 202 PLM A C6 1 HETATM 1102 C C7 . PLM C 3 . ? -4.378 78.006 22.855 1.00 31.70 ? 202 PLM A C7 1 HETATM 1103 C C8 . PLM C 3 . ? -3.598 79.268 22.504 1.00 35.70 ? 202 PLM A C8 1 HETATM 1104 C C9 . PLM C 3 . ? -3.027 79.213 21.097 1.00 38.11 ? 202 PLM A C9 1 HETATM 1105 C CA . PLM C 3 . ? -2.475 80.563 20.670 1.00 34.88 ? 202 PLM A CA 1 HETATM 1106 C CB . PLM C 3 . ? -1.656 80.448 19.394 1.00 35.66 ? 202 PLM A CB 1 HETATM 1107 C CC . PLM C 3 . ? -1.052 81.787 18.984 1.00 32.62 ? 202 PLM A CC 1 HETATM 1108 C CD . PLM C 3 . ? 0.065 82.207 19.931 1.00 32.79 ? 202 PLM A CD 1 HETATM 1109 C CE . PLM C 3 . ? 0.850 83.383 19.382 1.00 35.64 ? 202 PLM A CE 1 HETATM 1110 C CF . PLM C 3 . ? 1.844 83.961 20.387 1.00 36.89 ? 202 PLM A CF 1 HETATM 1111 C CG . PLM C 3 . ? 2.607 85.153 19.800 1.00 38.41 ? 202 PLM A CG 1 HETATM 1112 O O . HOH D 4 . ? 8.740 83.358 7.505 1.00 22.10 ? 301 HOH A O 1 HETATM 1113 O O . HOH D 4 . ? 21.232 98.018 17.344 1.00 20.83 ? 302 HOH A O 1 HETATM 1114 O O . HOH D 4 . ? 12.439 97.499 25.454 1.00 17.51 ? 303 HOH A O 1 HETATM 1115 O O . HOH D 4 . ? 8.477 89.918 8.085 1.00 26.37 ? 304 HOH A O 1 HETATM 1116 O O . HOH D 4 . ? -1.202 80.505 31.264 1.00 24.83 ? 305 HOH A O 1 HETATM 1117 O O . HOH D 4 . ? -18.097 68.740 20.877 1.00 22.42 ? 306 HOH A O 1 HETATM 1118 O O . HOH D 4 . ? -10.716 93.158 20.503 1.00 34.27 ? 307 HOH A O 1 HETATM 1119 O O . HOH D 4 . ? 6.500 95.764 27.752 1.00 13.98 ? 308 HOH A O 1 HETATM 1120 O O . HOH D 4 . ? -12.143 64.876 28.730 1.00 22.25 ? 309 HOH A O 1 HETATM 1121 O O . HOH D 4 . ? 1.218 78.364 12.943 1.00 14.57 ? 310 HOH A O 1 HETATM 1122 O O . HOH D 4 . ? -6.152 90.433 12.617 1.00 14.08 ? 311 HOH A O 1 HETATM 1123 O O . HOH D 4 . ? 5.981 100.987 23.911 1.00 29.12 ? 312 HOH A O 1 HETATM 1124 O O . HOH D 4 . ? 5.729 68.775 20.500 1.00 27.29 ? 313 HOH A O 1 HETATM 1125 O O . HOH D 4 . ? -8.687 90.359 23.469 1.00 23.76 ? 314 HOH A O 1 HETATM 1126 O O . HOH D 4 . ? -10.228 85.572 10.246 1.00 37.20 ? 315 HOH A O 1 HETATM 1127 O O . HOH D 4 . ? -10.763 73.300 31.152 0.48 21.86 ? 316 HOH A O 1 HETATM 1128 O O . HOH D 4 . ? -4.780 70.256 21.178 1.00 35.02 ? 317 HOH A O 1 HETATM 1129 O O . HOH D 4 . ? 6.630 82.684 31.508 1.00 35.79 ? 318 HOH A O 1 HETATM 1130 O O . HOH D 4 . ? -8.085 93.384 21.246 1.00 38.92 ? 319 HOH A O 1 HETATM 1131 O O . HOH D 4 . ? -3.017 92.612 26.684 1.00 36.68 ? 320 HOH A O 1 HETATM 1132 O O . HOH D 4 . ? -7.086 72.498 13.407 1.00 9.69 ? 321 HOH A O 1 HETATM 1133 O O . HOH D 4 . ? 6.353 73.365 29.109 1.00 25.49 ? 322 HOH A O 1 HETATM 1134 O O . HOH D 4 . ? 14.362 78.817 15.832 1.00 31.98 ? 323 HOH A O 1 HETATM 1135 O O . HOH D 4 . ? -14.217 85.233 10.361 1.00 37.24 ? 324 HOH A O 1 HETATM 1136 O O . HOH D 4 . ? 8.762 100.323 9.212 1.00 15.80 ? 325 HOH A O 1 HETATM 1137 O O . HOH D 4 . ? 17.796 84.635 25.509 1.00 23.81 ? 326 HOH A O 1 HETATM 1138 O O . HOH D 4 . ? -5.053 97.230 11.585 1.00 39.15 ? 327 HOH A O 1 HETATM 1139 O O . HOH D 4 . ? -2.910 66.879 19.344 1.00 26.92 ? 328 HOH A O 1 HETATM 1140 O O . HOH D 4 . ? -2.949 96.716 19.523 1.00 23.66 ? 329 HOH A O 1 HETATM 1141 O O . HOH D 4 . ? 9.329 72.885 18.735 1.00 44.67 ? 330 HOH A O 1 HETATM 1142 O O . HOH D 4 . ? 12.361 99.085 8.661 1.00 13.27 ? 331 HOH A O 1 HETATM 1143 O O . HOH D 4 . ? -13.239 63.960 23.547 1.00 28.36 ? 332 HOH A O 1 HETATM 1144 O O . HOH D 4 . ? 0.401 93.075 28.467 1.00 16.84 ? 333 HOH A O 1 HETATM 1145 O O . HOH D 4 . ? -14.395 73.515 12.844 1.00 32.91 ? 334 HOH A O 1 HETATM 1146 O O . HOH D 4 . ? 4.464 68.232 24.402 1.00 26.17 ? 335 HOH A O 1 HETATM 1147 O O . HOH D 4 . ? 14.822 100.922 10.816 1.00 15.84 ? 336 HOH A O 1 HETATM 1148 O O . HOH D 4 . ? 16.095 102.883 17.712 1.00 22.42 ? 337 HOH A O 1 HETATM 1149 O O . HOH D 4 . ? 15.916 81.104 22.095 1.00 27.45 ? 338 HOH A O 1 HETATM 1150 O O . HOH D 4 . ? 12.220 79.978 27.854 1.00 22.79 ? 339 HOH A O 1 HETATM 1151 O O . HOH D 4 . ? -6.737 68.734 11.230 1.00 28.07 ? 340 HOH A O 1 HETATM 1152 O O . HOH D 4 . ? -1.018 66.965 21.318 1.00 17.75 ? 341 HOH A O 1 HETATM 1153 O O . HOH D 4 . ? -3.373 78.989 31.173 1.00 27.79 ? 342 HOH A O 1 HETATM 1154 O O . HOH D 4 . ? 18.405 94.570 8.751 1.00 19.60 ? 343 HOH A O 1 HETATM 1155 O O . HOH D 4 . ? 12.359 83.403 23.045 1.00 17.79 ? 344 HOH A O 1 HETATM 1156 O O . HOH D 4 . ? -4.820 77.086 10.491 1.00 15.31 ? 345 HOH A O 1 HETATM 1157 O O . HOH D 4 . ? 10.737 96.871 7.793 1.00 25.17 ? 346 HOH A O 1 HETATM 1158 O O . HOH D 4 . ? 23.860 94.429 16.268 1.00 37.29 ? 347 HOH A O 1 HETATM 1159 O O . HOH D 4 . ? -11.273 63.455 26.371 1.00 21.31 ? 348 HOH A O 1 HETATM 1160 O O . HOH D 4 . ? 10.471 103.937 19.496 1.00 17.89 ? 349 HOH A O 1 HETATM 1161 O O . HOH D 4 . ? 17.186 98.705 7.308 1.00 22.76 ? 350 HOH A O 1 HETATM 1162 O O . HOH D 4 . ? 5.980 89.098 27.761 1.00 15.17 ? 351 HOH A O 1 HETATM 1163 O O . HOH D 4 . ? -7.881 86.606 11.528 1.00 22.87 ? 352 HOH A O 1 HETATM 1164 O O . HOH D 4 . ? -10.388 80.278 31.549 1.00 20.40 ? 353 HOH A O 1 HETATM 1165 O O . HOH D 4 . ? -10.369 88.451 27.302 1.00 28.53 ? 354 HOH A O 1 HETATM 1166 O O . HOH D 4 . ? 14.438 89.630 10.463 1.00 9.45 ? 355 HOH A O 1 HETATM 1167 O O . HOH D 4 . ? -13.353 70.216 14.343 1.00 24.49 ? 356 HOH A O 1 HETATM 1168 O O . HOH D 4 . ? -0.831 98.185 18.817 1.00 19.35 ? 357 HOH A O 1 HETATM 1169 O O . HOH D 4 . ? 4.220 80.867 31.891 1.00 23.74 ? 358 HOH A O 1 HETATM 1170 O O . HOH D 4 . ? -4.812 83.609 31.735 1.00 16.98 ? 359 HOH A O 1 HETATM 1171 O O . HOH D 4 . ? -6.844 88.874 26.616 1.00 23.85 ? 360 HOH A O 1 HETATM 1172 O O . HOH D 4 . ? 0.771 82.243 32.732 1.00 31.27 ? 361 HOH A O 1 HETATM 1173 O O . HOH D 4 . ? 8.630 76.686 12.113 1.00 28.20 ? 362 HOH A O 1 HETATM 1174 O O . HOH D 4 . ? -12.972 88.746 22.580 1.00 16.02 ? 363 HOH A O 1 HETATM 1175 O O . HOH D 4 . ? -15.065 76.832 15.653 1.00 28.54 ? 364 HOH A O 1 HETATM 1176 O O . HOH D 4 . ? 10.875 83.242 30.572 1.00 22.62 ? 365 HOH A O 1 HETATM 1177 O O . HOH D 4 . ? -6.535 95.716 17.729 1.00 21.00 ? 366 HOH A O 1 HETATM 1178 O O . HOH D 4 . ? -1.174 95.652 22.539 1.00 22.19 ? 367 HOH A O 1 HETATM 1179 O O . HOH D 4 . ? 1.471 80.433 8.465 1.00 22.37 ? 368 HOH A O 1 HETATM 1180 O O . HOH D 4 . ? -2.091 83.186 8.241 1.00 18.81 ? 369 HOH A O 1 HETATM 1181 O O . HOH D 4 . ? 2.848 73.869 11.794 1.00 24.21 ? 370 HOH A O 1 HETATM 1182 O O . HOH D 4 . ? 7.946 73.835 14.574 1.00 32.25 ? 371 HOH A O 1 HETATM 1183 O O . HOH D 4 . ? 9.861 88.943 31.063 1.00 21.76 ? 372 HOH A O 1 HETATM 1184 O O . HOH D 4 . ? -4.897 89.432 27.986 1.00 29.83 ? 373 HOH A O 1 HETATM 1185 O O . HOH D 4 . ? 3.519 83.826 33.877 1.00 32.73 ? 374 HOH A O 1 HETATM 1186 O O . HOH D 4 . ? 17.683 82.911 21.859 1.00 23.58 ? 375 HOH A O 1 HETATM 1187 O O . HOH D 4 . ? 4.271 75.077 33.309 1.00 26.78 ? 376 HOH A O 1 HETATM 1188 O O . HOH D 4 . ? 11.379 76.471 12.821 1.00 20.75 ? 377 HOH A O 1 HETATM 1189 O O . HOH D 4 . ? 23.255 92.107 17.890 1.00 24.32 ? 378 HOH A O 1 HETATM 1190 O O . HOH D 4 . ? 0.956 98.300 20.842 1.00 24.18 ? 379 HOH A O 1 HETATM 1191 O O . HOH D 4 . ? 11.859 76.479 22.959 1.00 26.99 ? 380 HOH A O 1 HETATM 1192 O O . HOH D 4 . ? 3.592 89.992 8.247 1.00 34.94 ? 381 HOH A O 1 HETATM 1193 O O . HOH D 4 . ? -9.231 61.811 27.050 1.00 17.38 ? 382 HOH A O 1 HETATM 1194 O O . HOH D 4 . ? 2.114 87.743 31.957 1.00 27.59 ? 383 HOH A O 1 HETATM 1195 O O . HOH D 4 . ? -14.949 73.068 27.325 1.00 16.66 ? 384 HOH A O 1 HETATM 1196 O O . HOH D 4 . ? 5.617 103.633 9.942 1.00 36.84 ? 385 HOH A O 1 HETATM 1197 O O . HOH D 4 . ? 13.978 106.924 15.609 1.00 15.22 ? 386 HOH A O 1 HETATM 1198 O O . HOH D 4 . ? 1.436 96.297 22.823 1.00 26.34 ? 387 HOH A O 1 HETATM 1199 O O . HOH D 4 . ? 12.195 106.833 12.608 1.00 24.89 ? 388 HOH A O 1 HETATM 1200 O O . HOH D 4 . ? 5.866 78.919 31.386 1.00 31.45 ? 389 HOH A O 1 HETATM 1201 O O . HOH D 4 . ? -0.222 74.881 32.349 1.00 15.93 ? 390 HOH A O 1 HETATM 1202 O O . HOH D 4 . ? 2.574 96.644 10.068 1.00 30.32 ? 391 HOH A O 1 HETATM 1203 O O . HOH D 4 . ? 14.035 103.934 20.496 1.00 20.38 ? 392 HOH A O 1 HETATM 1204 O O . HOH D 4 . ? 16.500 80.362 17.881 1.00 23.98 ? 393 HOH A O 1 HETATM 1205 O O . HOH D 4 . ? 6.257 94.734 30.209 1.00 32.41 ? 394 HOH A O 1 HETATM 1206 O O . HOH D 4 . ? 0.719 102.725 14.257 1.00 29.80 ? 395 HOH A O 1 HETATM 1207 O O . HOH D 4 . ? -3.022 74.682 9.988 1.00 17.44 ? 396 HOH A O 1 HETATM 1208 O O . HOH D 4 . ? -11.840 85.672 28.610 1.00 26.71 ? 397 HOH A O 1 HETATM 1209 O O . HOH D 4 . ? -10.798 78.527 11.993 1.00 23.47 ? 398 HOH A O 1 HETATM 1210 O O . HOH D 4 . ? 16.891 86.814 31.015 1.00 27.84 ? 399 HOH A O 1 HETATM 1211 O O . HOH D 4 . ? -3.638 60.178 22.468 1.00 29.68 ? 400 HOH A O 1 HETATM 1212 O O . HOH D 4 . ? -15.404 76.785 24.819 1.00 31.45 ? 401 HOH A O 1 HETATM 1213 O O . HOH D 4 . ? -9.441 82.887 31.079 1.00 24.34 ? 402 HOH A O 1 HETATM 1214 O O . HOH D 4 . ? 2.430 89.892 30.430 1.00 32.03 ? 403 HOH A O 1 HETATM 1215 O O . HOH D 4 . ? 8.946 81.624 32.313 1.00 39.59 ? 404 HOH A O 1 HETATM 1216 O O . HOH D 4 . ? 22.108 96.288 23.507 1.00 16.89 ? 405 HOH A O 1 HETATM 1217 O O . HOH D 4 . ? 5.998 82.159 8.113 1.00 34.51 ? 406 HOH A O 1 HETATM 1218 O O . HOH D 4 . ? -7.387 65.457 13.692 1.00 41.23 ? 407 HOH A O 1 HETATM 1219 O O . HOH D 4 . ? 2.876 66.868 16.759 1.00 38.49 ? 408 HOH A O 1 HETATM 1220 O O . HOH D 4 . ? 17.943 89.686 30.022 1.00 37.05 ? 409 HOH A O 1 HETATM 1221 O O . HOH D 4 . ? -5.622 79.097 8.427 1.00 33.66 ? 410 HOH A O 1 HETATM 1222 O O . HOH D 4 . ? -14.759 65.443 29.488 1.00 27.38 ? 411 HOH A O 1 HETATM 1223 O O . HOH D 4 . ? 1.022 79.838 33.447 1.00 35.91 ? 412 HOH A O 1 HETATM 1224 O O . HOH D 4 . ? 0.260 69.963 10.937 1.00 34.04 ? 413 HOH A O 1 HETATM 1225 O O . HOH D 4 . ? -7.441 75.868 10.532 1.00 28.71 ? 414 HOH A O 1 HETATM 1226 O O . HOH D 4 . ? -10.120 61.082 21.598 1.00 35.24 ? 415 HOH A O 1 HETATM 1227 O O . HOH D 4 . ? -14.573 87.807 24.571 1.00 35.89 ? 416 HOH A O 1 HETATM 1228 O O . HOH D 4 . ? -4.044 86.019 31.741 1.00 29.58 ? 417 HOH A O 1 HETATM 1229 O O . HOH D 4 . ? -10.562 93.778 22.860 1.00 39.29 ? 418 HOH A O 1 HETATM 1230 O O . HOH D 4 . ? -5.375 96.778 19.896 1.00 29.17 ? 419 HOH A O 1 HETATM 1231 O O . HOH D 4 . ? -17.072 71.748 28.133 1.00 26.44 ? 420 HOH A O 1 HETATM 1232 O O . HOH D 4 . ? 7.971 75.955 30.369 1.00 30.03 ? 421 HOH A O 1 HETATM 1233 O O . HOH D 4 . ? 14.205 81.922 24.056 1.00 24.01 ? 422 HOH A O 1 HETATM 1234 O O . HOH D 4 . ? -8.393 88.825 12.864 1.00 15.76 ? 423 HOH A O 1 HETATM 1235 O O . HOH D 4 . ? 6.995 105.631 24.539 1.00 48.26 ? 424 HOH A O 1 HETATM 1236 O O . HOH D 4 . ? -7.503 83.603 32.556 1.00 30.89 ? 425 HOH A O 1 HETATM 1237 O O . HOH D 4 . ? 1.077 95.712 27.345 1.00 31.88 ? 426 HOH A O 1 HETATM 1238 O O . HOH D 4 . ? 5.400 90.280 30.347 1.00 46.74 ? 427 HOH A O 1 HETATM 1239 O O . HOH D 4 . ? 8.049 97.664 28.208 1.00 33.41 ? 428 HOH A O 1 HETATM 1240 O O . HOH D 4 . ? -0.475 74.778 9.240 1.00 36.15 ? 429 HOH A O 1 HETATM 1241 O O . HOH D 4 . ? 2.017 72.001 31.139 1.00 25.83 ? 430 HOH A O 1 HETATM 1242 O O . HOH D 4 . ? -7.390 101.825 13.012 1.00 59.68 ? 431 HOH A O 1 HETATM 1243 O O . HOH D 4 . ? 21.859 90.867 14.210 1.00 22.73 ? 432 HOH A O 1 HETATM 1244 O O . HOH D 4 . ? -0.481 86.458 31.950 1.00 38.41 ? 433 HOH A O 1 HETATM 1245 O O . HOH D 4 . ? 9.202 77.539 9.410 1.00 32.37 ? 434 HOH A O 1 HETATM 1246 O O . HOH D 4 . ? -14.783 78.762 30.454 1.00 31.78 ? 435 HOH A O 1 HETATM 1247 O O . HOH D 4 . ? -0.998 61.563 22.894 1.00 28.68 ? 436 HOH A O 1 HETATM 1248 O O . HOH D 4 . ? 10.355 90.089 4.591 1.00 29.07 ? 437 HOH A O 1 HETATM 1249 O O . HOH D 4 . ? 10.482 74.025 13.235 1.00 29.74 ? 438 HOH A O 1 HETATM 1250 O O . HOH D 4 . ? -10.974 89.677 24.614 1.00 26.58 ? 439 HOH A O 1 HETATM 1251 O O . HOH D 4 . ? 4.612 72.345 31.159 1.00 31.51 ? 440 HOH A O 1 HETATM 1252 O O . HOH D 4 . ? 9.398 106.448 19.045 1.00 22.68 ? 441 HOH A O 1 HETATM 1253 O O . HOH D 4 . ? 9.338 87.707 6.557 1.00 30.69 ? 442 HOH A O 1 HETATM 1254 O O . HOH D 4 . ? -13.074 80.079 31.868 1.00 26.28 ? 443 HOH A O 1 HETATM 1255 O O . HOH D 4 . ? -3.514 97.351 24.320 1.00 46.60 ? 444 HOH A O 1 HETATM 1256 O O . HOH D 4 . ? -5.224 57.768 27.871 1.00 67.79 ? 445 HOH A O 1 HETATM 1257 O O . HOH D 4 . ? 11.722 108.178 19.097 1.00 32.11 ? 446 HOH A O 1 HETATM 1258 O O . HOH D 4 . ? 7.961 69.891 21.194 1.00 37.53 ? 447 HOH A O 1 HETATM 1259 O O . HOH D 4 . ? -10.508 72.543 9.777 1.00 31.24 ? 448 HOH A O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . ASP A 8 ? 0.6328 0.8993 0.7620 -0.2463 0.0042 -0.0481 26 ASP A N 2 C CA . ASP A 8 ? 0.5596 0.8642 0.7476 -0.2102 0.0006 -0.0062 26 ASP A CA 3 C C . ASP A 8 ? 0.4705 0.7246 0.6450 -0.1629 0.0247 0.0157 26 ASP A C 4 O O . ASP A 8 ? 0.4435 0.6798 0.5740 -0.1399 0.0177 0.0204 26 ASP A O 5 C CB . ASP A 8 ? 0.5769 0.9622 0.7823 -0.2008 -0.0442 0.0203 26 ASP A CB 6 C CG . ASP A 8 ? 0.5281 0.9543 0.8110 -0.1647 -0.0349 0.0499 26 ASP A CG 7 O OD1 . ASP A 8 ? 0.5594 0.9686 0.8343 -0.1215 -0.0259 0.0684 26 ASP A OD1 8 O OD2 . ASP A 8 ? 0.6364 1.1116 0.9904 -0.1842 -0.0304 0.0485 26 ASP A OD2 9 N N . ALA A 9 ? 0.3958 0.6285 0.6025 -0.1559 0.0511 0.0312 27 ALA A N 10 C CA . ALA A 9 ? 0.3806 0.5712 0.5647 -0.1233 0.0664 0.0549 27 ALA A CA 11 C C . ALA A 9 ? 0.2917 0.5133 0.4574 -0.0901 0.0578 0.0693 27 ALA A C 12 O O . ALA A 9 ? 0.2709 0.4617 0.4001 -0.0681 0.0576 0.0747 27 ALA A O 13 C CB . ALA A 9 ? 0.3716 0.5413 0.5789 -0.1335 0.0898 0.0794 27 ALA A CB 14 N N . ALA A 10 ? 0.2731 0.5558 0.4798 -0.0875 0.0529 0.0731 28 ALA A N 15 C CA . ALA A 10 ? 0.2643 0.5694 0.4791 -0.0541 0.0537 0.0818 28 ALA A CA 16 C C . ALA A 10 ? 0.2522 0.5410 0.4330 -0.0362 0.0265 0.0837 28 ALA A C 17 O O . ALA A 10 ? 0.2404 0.5036 0.3979 -0.0115 0.0348 0.0870 28 ALA A O 18 C CB . ALA A 10 ? 0.2458 0.6236 0.5473 -0.0517 0.0568 0.0843 28 ALA A CB 19 N N . THR A 11 ? 0.2685 0.5708 0.4379 -0.0571 -0.0038 0.0800 29 THR A N 20 C CA . THR A 11 ? 0.2984 0.5834 0.4181 -0.0533 -0.0273 0.0856 29 THR A CA 21 C C . THR A 11 ? 0.2834 0.5036 0.3460 -0.0476 -0.0049 0.0718 29 THR A C 22 O O . THR A 11 ? 0.2831 0.4817 0.3210 -0.0282 -0.0064 0.0807 29 THR A O 23 C CB . THR A 11 ? 0.3499 0.6651 0.4440 -0.0947 -0.0614 0.0803 29 THR A CB 24 O OG1 . THR A 11 ? 0.3289 0.7181 0.4943 -0.1006 -0.0916 0.0992 29 THR A OG1 25 C CG2 . THR A 11 ? 0.4068 0.7075 0.4336 -0.1003 -0.0851 0.0939 29 THR A CG2 26 N N . ILE A 12 ? 0.2841 0.4742 0.3425 -0.0645 0.0155 0.0524 30 ILE A N 27 C CA . ILE A 12 ? 0.2924 0.4309 0.3307 -0.0560 0.0344 0.0437 30 ILE A CA 28 C C . ILE A 12 ? 0.2856 0.4150 0.3240 -0.0262 0.0397 0.0640 30 ILE A C 29 O O . ILE A 12 ? 0.2841 0.3911 0.3015 -0.0142 0.0408 0.0634 30 ILE A O 30 C CB . ILE A 12 ? 0.3106 0.4166 0.3795 -0.0732 0.0547 0.0282 30 ILE A CB 31 C CG1 . ILE A 12 ? 0.3234 0.4295 0.3847 -0.1124 0.0594 -0.0091 30 ILE A CG1 32 C CG2 . ILE A 12 ? 0.3042 0.3672 0.3871 -0.0565 0.0684 0.0300 30 ILE A CG2 33 C CD1 . ILE A 12 ? 0.3805 0.4509 0.4930 -0.1325 0.0842 -0.0289 30 ILE A CD1 34 N N . LEU A 13 ? 0.2772 0.4266 0.3354 -0.0221 0.0466 0.0771 31 LEU A N 35 C CA . LEU A 13 ? 0.2699 0.4136 0.3103 -0.0074 0.0567 0.0870 31 LEU A CA 36 C C . LEU A 13 ? 0.2880 0.4357 0.3216 0.0126 0.0536 0.0812 31 LEU A C 37 O O . LEU A 13 ? 0.2766 0.4011 0.2828 0.0202 0.0569 0.0782 31 LEU A O 38 C CB . LEU A 13 ? 0.2738 0.4409 0.3257 -0.0180 0.0757 0.0949 31 LEU A CB 39 C CG . LEU A 13 ? 0.2776 0.4293 0.3327 -0.0409 0.0803 0.1134 31 LEU A CG 40 C CD1 . LEU A 13 ? 0.2429 0.4236 0.3034 -0.0597 0.1055 0.1211 31 LEU A CD1 41 C CD2 . LEU A 13 ? 0.3318 0.4477 0.3579 -0.0408 0.0694 0.1350 31 LEU A CD2 42 N N . SER A 14 ? 0.2367 0.4137 0.3040 0.0188 0.0434 0.0836 32 SER A N 43 C CA . SER A 14 ? 0.2846 0.4573 0.3633 0.0394 0.0366 0.0890 32 SER A CA 44 C C . SER A 14 ? 0.2797 0.4149 0.3094 0.0355 0.0250 0.0903 32 SER A C 45 O O . SER A 14 ? 0.2952 0.4028 0.3144 0.0473 0.0323 0.0885 32 SER A O 46 C CB . SER A 14 ? 0.2888 0.5059 0.4279 0.0457 0.0144 0.1068 32 SER A CB 47 O OG . SER A 14 ? 0.3706 0.5772 0.5438 0.0710 0.0091 0.1213 32 SER A OG 48 N N . ASP A 15 ? 0.2912 0.4246 0.2941 0.0137 0.0146 0.0866 33 ASP A N 49 C CA . ASP A 15 ? 0.3157 0.4195 0.2753 0.0023 0.0151 0.0805 33 ASP A CA 50 C C . ASP A 15 ? 0.3052 0.3801 0.2621 0.0106 0.0329 0.0694 33 ASP A C 51 O O . ASP A 15 ? 0.2991 0.3528 0.2395 0.0123 0.0367 0.0688 33 ASP A O 52 C CB . ASP A 15 ? 0.3351 0.4412 0.2717 -0.0296 0.0171 0.0615 33 ASP A CB 53 C CG . ASP A 15 ? 0.3369 0.4777 0.2568 -0.0530 -0.0095 0.0714 33 ASP A CG 54 O OD1 . ASP A 15 ? 0.4042 0.5681 0.3392 -0.0398 -0.0363 0.1038 33 ASP A OD1 55 O OD2 . ASP A 15 ? 0.3787 0.5246 0.2769 -0.0877 -0.0049 0.0461 33 ASP A OD2 56 N N . LEU A 16 ? 0.3204 0.3976 0.2964 0.0115 0.0396 0.0661 34 LEU A N 57 C CA . LEU A 16 ? 0.3025 0.3651 0.2832 0.0149 0.0430 0.0662 34 LEU A CA 58 C C . LEU A 16 ? 0.2952 0.3551 0.2572 0.0229 0.0435 0.0668 34 LEU A C 59 O O . LEU A 16 ? 0.3144 0.3638 0.2718 0.0201 0.0412 0.0626 34 LEU A O 60 C CB . LEU A 16 ? 0.2910 0.3561 0.2971 0.0100 0.0410 0.0779 34 LEU A CB 61 C CG . LEU A 16 ? 0.3373 0.3896 0.3827 0.0011 0.0490 0.0684 34 LEU A CG 62 C CD1 . LEU A 16 ? 0.2893 0.3361 0.3693 -0.0026 0.0456 0.0909 34 LEU A CD1 63 C CD2 . LEU A 16 ? 0.2699 0.3073 0.3474 0.0023 0.0587 0.0530 34 LEU A CD2 64 N N . SER A 17 ? 0.2950 0.3659 0.2566 0.0297 0.0506 0.0663 35 SER A N 65 C CA . SER A 17 ? 0.2899 0.3506 0.2417 0.0341 0.0639 0.0530 35 SER A CA 66 C C . SER A 17 ? 0.3365 0.3693 0.2932 0.0420 0.0630 0.0507 35 SER A C 67 O O . SER A 17 ? 0.3266 0.3380 0.2704 0.0361 0.0704 0.0360 35 SER A O 68 C CB . SER A 17 ? 0.3068 0.3862 0.2846 0.0422 0.0833 0.0460 35 SER A CB 69 O OG . SER A 17 ? 0.3024 0.3655 0.2787 0.0432 0.1087 0.0204 35 SER A OG 70 N N . THR A 18 ? 0.3232 0.3565 0.2931 0.0483 0.0519 0.0679 36 THR A N 71 C CA . THR A 18 ? 0.3470 0.3511 0.3129 0.0493 0.0480 0.0792 36 THR A CA 72 C C . THR A 18 ? 0.3113 0.2988 0.2495 0.0317 0.0528 0.0683 36 THR A C 73 O O . THR A 18 ? 0.3526 0.3115 0.2894 0.0278 0.0609 0.0640 36 THR A O 74 C CB . THR A 18 ? 0.3684 0.3858 0.3333 0.0466 0.0261 0.1087 36 THR A CB 75 O OG1 . THR A 18 ? 0.3473 0.3901 0.3666 0.0662 0.0179 0.1224 36 THR A OG1 76 C CG2 . THR A 18 ? 0.3841 0.3680 0.3277 0.0383 0.0194 0.1326 36 THR A CG2 77 N N . ILE A 19 ? 0.3233 0.3289 0.2560 0.0206 0.0512 0.0618 37 ILE A N 78 C CA . ILE A 19 ? 0.3025 0.3039 0.2416 0.0074 0.0594 0.0490 37 ILE A CA 79 C C . ILE A 19 ? 0.3269 0.3277 0.2778 0.0068 0.0564 0.0399 37 ILE A C 80 O O . ILE A 19 ? 0.2852 0.2754 0.2438 -0.0045 0.0624 0.0314 37 ILE A O 81 C CB . ILE A 19 ? 0.2726 0.2913 0.2356 0.0017 0.0630 0.0410 37 ILE A CB 82 C CG1 . ILE A 19 ? 0.2917 0.3087 0.2275 -0.0144 0.0725 0.0355 37 ILE A CG1 83 C CG2 . ILE A 19 ? 0.2583 0.2829 0.2685 -0.0042 0.0714 0.0290 37 ILE A CG2 84 C CD1 . ILE A 19 ? 0.2643 0.2893 0.2308 -0.0226 0.0845 0.0165 37 ILE A CD1 85 N N . LYS A 20 ? 0.3168 0.3320 0.2625 0.0108 0.0480 0.0405 38 LYS A N 86 C CA . LYS A 20 ? 0.3357 0.3567 0.2693 -0.0027 0.0412 0.0299 38 LYS A CA 87 C C . LYS A 20 ? 0.3508 0.3399 0.2725 -0.0080 0.0576 0.0088 38 LYS A C 88 O O . LYS A 20 ? 0.3476 0.3348 0.2695 -0.0274 0.0539 -0.0057 38 LYS A O 89 C CB . LYS A 20 ? 0.3707 0.4104 0.2771 -0.0077 0.0365 0.0342 38 LYS A CB 90 C CG . LYS A 20 ? 0.4475 0.5036 0.3185 -0.0360 0.0218 0.0280 38 LYS A CG 91 C CD . LYS A 20 ? 0.4964 0.5695 0.3202 -0.0503 0.0245 0.0349 38 LYS A CD 92 C CE . LYS A 20 ? 0.6278 0.7270 0.3972 -0.0906 -0.0027 0.0425 38 LYS A CE 93 N NZ . LYS A 20 ? 0.7254 0.8435 0.4452 -0.1102 -0.0062 0.0673 38 LYS A NZ 94 N N . THR A 21 ? 0.3324 0.2973 0.2584 0.0086 0.0741 0.0089 39 THR A N 95 C CA . THR A 21 ? 0.3910 0.3126 0.3292 0.0093 0.0936 -0.0061 39 THR A CA 96 C C . THR A 21 ? 0.4066 0.3029 0.3517 -0.0011 0.0925 0.0037 39 THR A C 97 O O . THR A 21 ? 0.4028 0.2712 0.3526 -0.0184 0.1039 -0.0168 39 THR A O 98 C CB . THR A 21 ? 0.4308 0.3369 0.4049 0.0365 0.1049 0.0064 39 THR A CB 99 O OG1 . THR A 21 ? 0.4782 0.4098 0.4536 0.0402 0.1185 -0.0125 39 THR A OG1 100 C CG2 . THR A 21 ? 0.4621 0.3119 0.4748 0.0428 0.1257 -0.0010 39 THR A CG2 101 N N . ASP A 22 ? 0.3539 0.3219 0.3485 0.0709 0.0958 0.0354 40 ASP A N 102 C CA . ASP A 22 ? 0.3422 0.3108 0.3282 0.0642 0.0813 0.0360 40 ASP A CA 103 C C . ASP A 22 ? 0.3638 0.3149 0.3157 0.0488 0.0760 0.0207 40 ASP A C 104 O O . ASP A 22 ? 0.3647 0.2949 0.3014 0.0431 0.0777 0.0173 40 ASP A O 105 C CB . ASP A 22 ? 0.3040 0.3076 0.3042 0.0599 0.0610 0.0439 40 ASP A CB 106 C CG . ASP A 22 ? 0.2981 0.3245 0.3304 0.0678 0.0562 0.0649 40 ASP A CG 107 O OD1 . ASP A 22 ? 0.2963 0.3148 0.3515 0.0806 0.0680 0.0781 40 ASP A OD1 108 O OD2 . ASP A 22 ? 0.3447 0.3969 0.3811 0.0591 0.0401 0.0696 40 ASP A OD2 109 N N . ILE A 23 ? 0.3245 0.2865 0.2696 0.0409 0.0677 0.0150 41 ILE A N 110 C CA . ILE A 23 ? 0.3230 0.2773 0.2477 0.0251 0.0575 0.0077 41 ILE A CA 111 C C . ILE A 23 ? 0.3815 0.2969 0.2696 0.0143 0.0675 -0.0003 41 ILE A C 112 O O . ILE A 23 ? 0.3735 0.2776 0.2475 0.0011 0.0601 -0.0030 41 ILE A O 113 C CB . ILE A 23 ? 0.3250 0.2958 0.2541 0.0195 0.0470 0.0086 41 ILE A CB 114 C CG1 . ILE A 23 ? 0.3044 0.3051 0.2644 0.0253 0.0387 0.0125 41 ILE A CG1 115 C CG2 . ILE A 23 ? 0.3576 0.3223 0.2716 0.0016 0.0333 0.0083 41 ILE A CG2 116 C CD1 . ILE A 23 ? 0.2761 0.2896 0.2465 0.0241 0.0335 0.0150 41 ILE A CD1 117 N N . ASN A 24 ? 0.4132 0.3062 0.2844 0.0171 0.0864 -0.0049 42 ASN A N 118 C CA . ASN A 24 ? 0.4951 0.3413 0.3200 0.0023 0.1011 -0.0168 42 ASN A CA 119 C C . ASN A 24 ? 0.4982 0.3157 0.3215 0.0069 0.1151 -0.0197 42 ASN A C 120 O O . ASN A 24 ? 0.5048 0.2876 0.2902 -0.0122 0.1165 -0.0293 42 ASN A O 121 C CB . ASN A 24 ? 0.5471 0.3717 0.3509 0.0028 0.1250 -0.0233 42 ASN A CB 122 C CG . ASN A 24 ? 0.6304 0.4761 0.4245 -0.0087 0.1087 -0.0195 42 ASN A CG 123 O OD1 . ASN A 24 ? 0.6341 0.4909 0.4163 -0.0265 0.0821 -0.0155 42 ASN A OD1 124 N ND2 . ASN A 24 ? 0.6739 0.5271 0.4799 0.0017 0.1245 -0.0173 42 ASN A ND2 125 N N . THR A 25 ? 0.4779 0.3102 0.3423 0.0293 0.1224 -0.0089 43 THR A N 126 C CA . THR A 25 ? 0.5118 0.3222 0.3827 0.0345 0.1308 -0.0055 43 THR A CA 127 C C . THR A 25 ? 0.5029 0.3234 0.3650 0.0191 0.1078 -0.0051 43 THR A C 128 O O . THR A 25 ? 0.5064 0.2934 0.3451 0.0069 0.1127 -0.0113 43 THR A O 129 C CB . THR A 25 ? 0.5075 0.3393 0.4293 0.0592 0.1364 0.0138 43 THR A CB 130 O OG1 . THR A 25 ? 0.5323 0.3571 0.4719 0.0736 0.1607 0.0153 43 THR A OG1 131 C CG2 . THR A 25 ? 0.4904 0.2973 0.4211 0.0645 0.1442 0.0221 43 THR A CG2 132 N N . LEU A 26 ? 0.4293 0.2931 0.3109 0.0181 0.0860 0.0013 44 LEU A N 133 C CA . LEU A 26 ? 0.4232 0.3002 0.3060 0.0051 0.0696 0.0024 44 LEU A CA 134 C C . LEU A 26 ? 0.4504 0.3080 0.3030 -0.0188 0.0622 -0.0062 44 LEU A C 135 O O . LEU A 26 ? 0.4534 0.3004 0.2990 -0.0322 0.0577 -0.0064 44 LEU A O 136 C CB . LEU A 26 ? 0.3735 0.2941 0.2833 0.0086 0.0554 0.0078 44 LEU A CB 137 C CG . LEU A 26 ? 0.4345 0.3735 0.3579 0.0015 0.0474 0.0108 44 LEU A CG 138 C CD1 . LEU A 26 ? 0.3813 0.3111 0.3033 0.0048 0.0535 0.0176 44 LEU A CD1 139 C CD2 . LEU A 26 ? 0.3886 0.3605 0.3349 0.0053 0.0418 0.0116 44 LEU A CD2 140 N N . THR A 27 ? 0.4649 0.3176 0.2976 -0.0275 0.0595 -0.0112 45 THR A N 141 C CA . THR A 27 ? 0.4786 0.3118 0.2747 -0.0565 0.0478 -0.0159 45 THR A CA 142 C C . THR A 27 ? 0.5596 0.3386 0.3126 -0.0712 0.0632 -0.0276 45 THR A C 143 O O . THR A 27 ? 0.5571 0.3254 0.2913 -0.0967 0.0494 -0.0280 45 THR A O 144 C CB . THR A 27 ? 0.5258 0.3580 0.2995 -0.0648 0.0441 -0.0173 45 THR A CB 145 O OG1 . THR A 27 ? 0.4611 0.3401 0.2777 -0.0525 0.0297 -0.0058 45 THR A OG1 146 C CG2 . THR A 27 ? 0.5185 0.3298 0.2457 -0.1015 0.0270 -0.0184 45 THR A CG2 147 N N . GLN A 28 ? 0.5704 0.3148 0.3125 -0.0559 0.0928 -0.0358 46 GLN A N 148 C CA . GLN A 28 ? 0.6471 0.3316 0.3534 -0.0659 0.1153 -0.0483 46 GLN A CA 149 C C . GLN A 28 ? 0.6097 0.2969 0.3349 -0.0676 0.1071 -0.0412 46 GLN A C 150 O O . GLN A 28 ? 0.6519 0.3007 0.3419 -0.0923 0.1078 -0.0495 46 GLN A O 151 C CB . GLN A 28 ? 0.6785 0.3315 0.3928 -0.0410 0.1532 -0.0531 46 GLN A CB 152 C CG . GLN A 28 ? 0.8213 0.4638 0.5144 -0.0401 0.1704 -0.0620 46 GLN A CG 153 C CD . GLN A 28 ? 0.9806 0.5926 0.6936 -0.0142 0.2135 -0.0649 46 GLN A CD 154 O OE1 . GLN A 28 ? 1.0748 0.6557 0.8036 -0.0024 0.2342 -0.0639 46 GLN A OE1 155 N NE2 . GLN A 28 ? 1.0262 0.6473 0.7441 -0.0050 0.2286 -0.0662 46 GLN A NE2 156 N N . HIS A 29 ? 0.5478 0.2774 0.3232 -0.0450 0.0998 -0.0260 47 HIS A N 157 C CA . HIS A 29 ? 0.5601 0.2962 0.3525 -0.0476 0.0926 -0.0173 47 HIS A CA 158 C C . HIS A 29 ? 0.5330 0.2859 0.3183 -0.0755 0.0691 -0.0171 47 HIS A C 159 O O . HIS A 29 ? 0.5663 0.2956 0.3374 -0.0936 0.0682 -0.0185 47 HIS A O 160 C CB . HIS A 29 ? 0.5009 0.2796 0.3379 -0.0243 0.0881 -0.0011 47 HIS A CB 161 C CG . HIS A 29 ? 0.5445 0.3069 0.3983 -0.0011 0.1065 0.0079 47 HIS A CG 162 N ND1 . HIS A 29 ? 0.5826 0.3267 0.4457 0.0033 0.1130 0.0194 47 HIS A ND1 163 C CD2 . HIS A 29 ? 0.5588 0.3229 0.4290 0.0188 0.1192 0.0113 47 HIS A CD2 164 C CE1 . HIS A 29 ? 0.5607 0.2970 0.4489 0.0257 0.1272 0.0318 47 HIS A CE1 165 N NE2 . HIS A 29 ? 0.5697 0.3197 0.4651 0.0358 0.1318 0.0270 47 HIS A NE2 166 N N . PHE A 30 ? 0.5086 0.3026 0.3095 -0.0792 0.0502 -0.0128 48 PHE A N 167 C CA . PHE A 30 ? 0.5011 0.3182 0.3103 -0.1042 0.0265 -0.0065 48 PHE A CA 168 C C . PHE A 30 ? 0.5625 0.3381 0.3212 -0.1389 0.0199 -0.0144 48 PHE A C 169 O O . PHE A 30 ? 0.5283 0.3039 0.2883 -0.1621 0.0073 -0.0096 48 PHE A O 170 C CB . PHE A 30 ? 0.4788 0.3402 0.3156 -0.1014 0.0093 0.0019 48 PHE A CB 171 C CG . PHE A 30 ? 0.4392 0.3388 0.3207 -0.0743 0.0148 0.0074 48 PHE A CG 172 C CD1 . PHE A 30 ? 0.3813 0.2879 0.2818 -0.0627 0.0256 0.0097 48 PHE A CD1 173 C CD2 . PHE A 30 ? 0.4051 0.3302 0.3044 -0.0645 0.0089 0.0106 48 PHE A CD2 174 C CE1 . PHE A 30 ? 0.3515 0.2869 0.2802 -0.0449 0.0308 0.0127 48 PHE A CE1 175 C CE2 . PHE A 30 ? 0.3912 0.3446 0.3245 -0.0444 0.0152 0.0130 48 PHE A CE2 176 C CZ . PHE A 30 ? 0.3359 0.2933 0.2804 -0.0362 0.0263 0.0130 48 PHE A CZ 177 N N . ASN A 31 ? 0.6108 0.3492 0.3216 -0.1459 0.0294 -0.0269 49 ASN A N 178 C CA . ASN A 31 ? 0.6789 0.3701 0.3261 -0.1859 0.0241 -0.0373 49 ASN A CA 179 C C . ASN A 31 ? 0.7418 0.3789 0.3602 -0.1981 0.0416 -0.0488 49 ASN A C 180 O O . ASN A 31 ? 0.8156 0.4237 0.3918 -0.2378 0.0290 -0.0533 49 ASN A O 181 C CB . ASN A 31 ? 0.7454 0.4019 0.3390 -0.1922 0.0375 -0.0510 49 ASN A CB 182 C CG . ASN A 31 ? 0.7240 0.4283 0.3346 -0.1937 0.0125 -0.0370 49 ASN A CG 183 O OD1 . ASN A 31 ? 0.7074 0.4572 0.3513 -0.2067 -0.0207 -0.0179 49 ASN A OD1 184 N ND2 . ASN A 31 ? 0.7563 0.4504 0.3501 -0.1799 0.0298 -0.0442 49 ASN A ND2 185 N N . GLU A 32 ? 0.7262 0.3503 0.3688 -0.1667 0.0679 -0.0505 50 GLU A N 186 C CA . GLU A 32 ? 0.8128 0.3851 0.4380 -0.1734 0.0866 -0.0576 50 GLU A CA 187 C C . GLU A 32 ? 0.7438 0.3492 0.4113 -0.1736 0.0719 -0.0416 50 GLU A C 188 O O . GLU A 32 ? 0.7784 0.3441 0.4334 -0.1830 0.0833 -0.0444 50 GLU A O 189 C CB . GLU A 32 ? 0.8520 0.3885 0.4854 -0.1395 0.1243 -0.0630 50 GLU A CB 190 C CG . GLU A 32 ? 1.0214 0.5131 0.6126 -0.1393 0.1507 -0.0816 50 GLU A CG 191 C CD . GLU A 32 ? 1.1399 0.6159 0.7653 -0.0987 0.1864 -0.0793 50 GLU A CD 192 O OE1 . GLU A 32 ? 1.1863 0.6771 0.8598 -0.0751 0.1886 -0.0625 50 GLU A OE1 193 O OE2 . GLU A 32 ? 1.2229 0.6738 0.8291 -0.0920 0.2116 -0.0915 50 GLU A OE2 194 N N . PHE A 33 ? 0.6540 0.3277 0.3711 -0.1638 0.0507 -0.0254 51 PHE A N 195 C CA . PHE A 33 ? 0.6280 0.3348 0.3865 -0.1632 0.0429 -0.0109 51 PHE A CA 196 C C . PHE A 33 ? 0.6452 0.3413 0.3902 -0.2030 0.0267 -0.0091 51 PHE A C 197 O O . PHE A 33 ? 0.6812 0.3914 0.4166 -0.2304 0.0033 -0.0071 51 PHE A O 198 C CB . PHE A 33 ? 0.5316 0.3074 0.3428 -0.1460 0.0302 0.0020 51 PHE A CB 199 C CG . PHE A 33 ? 0.5457 0.3547 0.3980 -0.1426 0.0306 0.0147 51 PHE A CG 200 C CD1 . PHE A 33 ? 0.5828 0.3728 0.4332 -0.1301 0.0474 0.0178 51 PHE A CD1 201 C CD2 . PHE A 33 ? 0.5277 0.3877 0.4239 -0.1517 0.0159 0.0256 51 PHE A CD2 202 C CE1 . PHE A 33 ? 0.5728 0.3908 0.4523 -0.1305 0.0501 0.0290 51 PHE A CE1 203 C CE2 . PHE A 33 ? 0.4985 0.3863 0.4313 -0.1494 0.0233 0.0351 51 PHE A CE2 204 C CZ . PHE A 33 ? 0.5478 0.4130 0.4663 -0.1405 0.0407 0.0354 51 PHE A CZ 205 N N . THR A 34 ? 0.6682 0.3400 0.4135 -0.2083 0.0371 -0.0068 52 THR A N 206 C CA . THR A 34 ? 0.7376 0.4019 0.4767 -0.2467 0.0225 -0.0027 52 THR A CA 207 C C . THR A 34 ? 0.7067 0.4188 0.5014 -0.2437 0.0187 0.0157 52 THR A C 208 O O . THR A 34 ? 0.7531 0.4593 0.5503 -0.2731 0.0110 0.0216 52 THR A O 209 C CB . THR A 34 ? 0.8127 0.3946 0.4971 -0.2638 0.0415 -0.0176 52 THR A CB 210 O OG1 . THR A 34 ? 0.8780 0.4417 0.5788 -0.2330 0.0667 -0.0132 52 THR A OG1 211 C CG2 . THR A 34 ? 0.9098 0.4353 0.5325 -0.2720 0.0527 -0.0395 52 THR A CG2 212 N N . GLY A 35 ? 0.6597 0.4153 0.4949 -0.2116 0.0264 0.0240 53 GLY A N 213 C CA . GLY A 35 ? 0.6409 0.4375 0.5221 -0.2087 0.0304 0.0386 53 GLY A CA 214 C C . GLY A 35 ? 0.6740 0.4454 0.5459 -0.1946 0.0513 0.0427 53 GLY A C 215 O O . GLY A 35 ? 0.6880 0.4831 0.5855 -0.1989 0.0573 0.0540 53 GLY A O 216 N N . ASP A 36 ? 0.7015 0.4252 0.5396 -0.1789 0.0632 0.0360 54 ASP A N 217 C CA . ASP A 36 ? 0.7045 0.4022 0.5368 -0.1644 0.0794 0.0457 54 ASP A CA 218 C C . ASP A 36 ? 0.6661 0.4019 0.5171 -0.1370 0.0827 0.0547 54 ASP A C 219 O O . ASP A 36 ? 0.6203 0.3708 0.4738 -0.1194 0.0799 0.0484 54 ASP A O 220 C CB . ASP A 36 ? 0.7947 0.4258 0.5943 -0.1577 0.0924 0.0375 54 ASP A CB 221 C CG . ASP A 36 ? 0.8871 0.4856 0.6878 -0.1447 0.1073 0.0531 54 ASP A CG 222 O OD1 . ASP A 36 ? 0.9724 0.5390 0.7641 -0.1641 0.1117 0.0578 54 ASP A OD1 223 O OD2 . ASP A 36 ? 0.9417 0.5459 0.7543 -0.1166 0.1129 0.0633 54 ASP A OD2 224 N N . LEU A 37 ? 0.6331 0.3816 0.4918 -0.1370 0.0887 0.0696 55 LEU A N 225 C CA . LEU A 37 ? 0.6137 0.3937 0.4786 -0.1198 0.0907 0.0782 55 LEU A CA 226 C C . LEU A 37 ? 0.6131 0.3762 0.4697 -0.0958 0.0905 0.0848 55 LEU A C 227 O O . LEU A 37 ? 0.5624 0.3551 0.4246 -0.0823 0.0865 0.0850 55 LEU A O 228 C CB . LEU A 37 ? 0.6333 0.4220 0.4950 -0.1314 0.0984 0.0935 55 LEU A CB 229 C CG . LEU A 37 ? 0.6249 0.4555 0.5060 -0.1454 0.1053 0.0893 55 LEU A CG 230 C CD1 . LEU A 37 ? 0.6832 0.5125 0.5482 -0.1576 0.1175 0.1045 55 LEU A CD1 231 C CD2 . LEU A 37 ? 0.5492 0.4174 0.4449 -0.1324 0.1051 0.0783 55 LEU A CD2 232 N N . LEU A 38 ? 0.6558 0.3717 0.5041 -0.0908 0.0964 0.0917 56 LEU A N 233 C CA . LEU A 38 ? 0.6703 0.3713 0.5254 -0.0657 0.0991 0.1012 56 LEU A CA 234 C C . LEU A 38 ? 0.6273 0.3367 0.4859 -0.0536 0.0988 0.0824 56 LEU A C 235 O O . LEU A 38 ? 0.5934 0.3201 0.4656 -0.0340 0.0966 0.0896 56 LEU A O 236 C CB . LEU A 38 ? 0.7119 0.3545 0.5670 -0.0605 0.1120 0.1121 56 LEU A CB 237 C CG . LEU A 38 ? 0.8132 0.4475 0.6736 -0.0613 0.1103 0.1432 56 LEU A CG 238 C CD1 . LEU A 38 ? 0.8292 0.3986 0.6936 -0.0583 0.1264 0.1514 56 LEU A CD1 239 C CD2 . LEU A 38 ? 0.8458 0.5133 0.7233 -0.0434 0.0987 0.1682 56 LEU A CD2 240 N N . GLN A 39 ? 0.6323 0.3302 0.4777 -0.0683 0.0992 0.0612 57 GLN A N 241 C CA . GLN A 39 ? 0.6173 0.3264 0.4600 -0.0623 0.0966 0.0447 57 GLN A CA 242 C C . GLN A 39 ? 0.5447 0.3118 0.4054 -0.0559 0.0843 0.0463 57 GLN A C 243 O O . GLN A 39 ? 0.5022 0.2846 0.3706 -0.0392 0.0833 0.0448 57 GLN A O 244 C CB . GLN A 39 ? 0.6595 0.3490 0.4793 -0.0873 0.0931 0.0263 57 GLN A CB 245 C CG . GLN A 39 ? 0.7536 0.3744 0.5431 -0.0973 0.1092 0.0165 57 GLN A CG 246 C CD . GLN A 39 ? 0.8165 0.4191 0.5732 -0.1300 0.1006 -0.0010 57 GLN A CD 247 O OE1 . GLN A 39 ? 0.7110 0.3497 0.4777 -0.1505 0.0808 0.0024 57 GLN A OE1 248 N NE2 . GLN A 39 ? 0.9839 0.5297 0.7016 -0.1372 0.1162 -0.0185 57 GLN A NE2 249 N N . ALA A 40 ? 0.5084 0.3051 0.3776 -0.0699 0.0782 0.0489 58 ALA A N 250 C CA . ALA A 40 ? 0.4653 0.3092 0.3512 -0.0652 0.0733 0.0487 58 ALA A CA 251 C C . ALA A 40 ? 0.4673 0.3214 0.3517 -0.0492 0.0737 0.0601 58 ALA A C 252 O O . ALA A 40 ? 0.4566 0.3358 0.3483 -0.0400 0.0697 0.0558 58 ALA A O 253 C CB . ALA A 40 ? 0.4473 0.3139 0.3454 -0.0822 0.0758 0.0509 58 ALA A CB 254 N N . LEU A 41 ? 0.5004 0.3358 0.3764 -0.0486 0.0761 0.0772 59 LEU A N 255 C CA . LEU A 41 ? 0.5453 0.3918 0.4207 -0.0382 0.0704 0.0951 59 LEU A CA 256 C C . LEU A 41 ? 0.5223 0.3669 0.4133 -0.0173 0.0683 0.0962 59 LEU A C 257 O O . LEU A 41 ? 0.4784 0.3503 0.3751 -0.0108 0.0601 0.1011 59 LEU A O 258 C CB . LEU A 41 ? 0.5993 0.4238 0.4676 -0.0423 0.0703 0.1197 59 LEU A CB 259 C CG . LEU A 41 ? 0.6858 0.5236 0.5557 -0.0359 0.0580 0.1470 59 LEU A CG 260 C CD1 . LEU A 41 ? 0.8004 0.6724 0.6474 -0.0510 0.0511 0.1439 59 LEU A CD1 261 C CD2 . LEU A 41 ? 0.7364 0.5490 0.6053 -0.0393 0.0560 0.1766 59 LEU A CD2 262 N N . ALA A 42 ? 0.5167 0.3265 0.4127 -0.0091 0.0783 0.0910 60 ALA A N 263 C CA . ALA A 42 ? 0.5375 0.3405 0.4500 0.0106 0.0841 0.0901 60 ALA A CA 264 C C . ALA A 42 ? 0.4671 0.2993 0.3791 0.0115 0.0788 0.0730 60 ALA A C 265 O O . ALA A 42 ? 0.4887 0.3407 0.4174 0.0249 0.0757 0.0794 60 ALA A O 266 C CB . ALA A 42 ? 0.5538 0.3040 0.4616 0.0142 0.1036 0.0808 60 ALA A CB 267 N N . ALA A 43 ? 0.4434 0.2796 0.3409 -0.0036 0.0765 0.0546 61 ALA A N 268 C CA . ALA A 43 ? 0.4143 0.2775 0.3150 -0.0041 0.0701 0.0417 61 ALA A CA 269 C C . ALA A 43 ? 0.3869 0.2886 0.2979 -0.0018 0.0617 0.0476 61 ALA A C 270 O O . ALA A 43 ? 0.3530 0.2736 0.2724 0.0060 0.0581 0.0443 61 ALA A O 271 C CB . ALA A 43 ? 0.4143 0.2780 0.3074 -0.0228 0.0657 0.0286 61 ALA A CB 272 N N . GLN A 44 ? 0.3779 0.2872 0.2830 -0.0115 0.0605 0.0554 62 GLN A N 273 C CA . GLN A 44 ? 0.3738 0.3099 0.2753 -0.0158 0.0563 0.0581 62 GLN A CA 274 C C . GLN A 44 ? 0.3864 0.3316 0.2911 -0.0063 0.0472 0.0735 62 GLN A C 275 O O . GLN A 44 ? 0.3566 0.3231 0.2591 -0.0089 0.0418 0.0704 62 GLN A O 276 C CB . GLN A 44 ? 0.3935 0.3291 0.2787 -0.0323 0.0608 0.0631 62 GLN A CB 277 C CG . GLN A 44 ? 0.3762 0.3308 0.2444 -0.0434 0.0619 0.0610 62 GLN A CG 278 C CD . GLN A 44 ? 0.3595 0.3301 0.2414 -0.0436 0.0706 0.0406 62 GLN A CD 279 O OE1 . GLN A 44 ? 0.3603 0.3331 0.2670 -0.0381 0.0731 0.0318 62 GLN A OE1 280 N NE2 . GLN A 44 ? 0.3821 0.3615 0.2471 -0.0527 0.0753 0.0344 62 GLN A NE2 281 N N . ALA A 45 ? 0.3877 0.3168 0.3021 0.0036 0.0460 0.0916 63 ALA A N 282 C CA . ALA A 45 ? 0.4089 0.3519 0.3418 0.0142 0.0361 0.1124 63 ALA A CA 283 C C . ALA A 45 ? 0.3868 0.3426 0.3374 0.0263 0.0381 0.1009 63 ALA A C 284 O O . ALA A 45 ? 0.3746 0.3564 0.3333 0.0258 0.0268 0.1090 63 ALA A O 285 C CB . ALA A 45 ? 0.4416 0.3624 0.3964 0.0268 0.0396 0.1360 63 ALA A CB 286 N N . VAL A 46 ? 0.3968 0.3335 0.3484 0.0328 0.0512 0.0826 64 VAL A N 287 C CA . VAL A 46 ? 0.3687 0.3138 0.3299 0.0410 0.0547 0.0709 64 VAL A CA 288 C C . VAL A 46 ? 0.3501 0.3211 0.3029 0.0308 0.0457 0.0588 64 VAL A C 289 O O . VAL A 46 ? 0.3183 0.3090 0.2823 0.0345 0.0407 0.0601 64 VAL A O 290 C CB . VAL A 46 ? 0.3856 0.2992 0.3364 0.0428 0.0697 0.0540 64 VAL A CB 291 C CG1 . VAL A 46 ? 0.3499 0.2713 0.3046 0.0482 0.0735 0.0440 64 VAL A CG1 292 C CG2 . VAL A 46 ? 0.4105 0.2882 0.3684 0.0528 0.0859 0.0626 64 VAL A CG2 293 N N . GLU A 47 ? 0.3151 0.2853 0.2532 0.0179 0.0459 0.0482 65 GLU A N 294 C CA . GLU A 47 ? 0.2814 0.2707 0.2179 0.0095 0.0438 0.0369 65 GLU A CA 295 C C . GLU A 47 ? 0.3196 0.3254 0.2482 0.0029 0.0369 0.0437 65 GLU A C 296 O O . GLU A 47 ? 0.3210 0.3393 0.2527 0.0009 0.0356 0.0356 65 GLU A O 297 C CB . GLU A 47 ? 0.3121 0.2982 0.2447 -0.0020 0.0502 0.0281 65 GLU A CB 298 C CG . GLU A 47 ? 0.3193 0.3213 0.2630 -0.0071 0.0550 0.0160 65 GLU A CG 299 C CD . GLU A 47 ? 0.3450 0.3528 0.2723 -0.0172 0.0605 0.0133 65 GLU A CD 300 O OE1 . GLU A 47 ? 0.3258 0.3283 0.2289 -0.0252 0.0578 0.0230 65 GLU A OE1 301 O OE2 . GLU A 47 ? 0.3179 0.3323 0.2541 -0.0197 0.0685 0.0019 65 GLU A OE2 302 N N . GLN A 48 ? 0.3203 0.3242 0.2362 -0.0035 0.0311 0.0599 66 GLN A N 303 C CA . GLN A 48 ? 0.3552 0.3734 0.2543 -0.0172 0.0195 0.0699 66 GLN A CA 304 C C . GLN A 48 ? 0.3496 0.3857 0.2717 -0.0083 0.0067 0.0836 66 GLN A C 305 O O . GLN A 48 ? 0.3675 0.4180 0.2796 -0.0208 -0.0025 0.0831 66 GLN A O 306 C CB . GLN A 48 ? 0.3854 0.3978 0.2617 -0.0307 0.0127 0.0889 66 GLN A CB 307 C CG . GLN A 48 ? 0.4159 0.4144 0.2642 -0.0460 0.0278 0.0745 66 GLN A CG 308 C CD . GLN A 48 ? 0.4637 0.4644 0.2810 -0.0664 0.0360 0.0570 66 GLN A CD 309 O OE1 . GLN A 48 ? 0.4474 0.4464 0.2752 -0.0637 0.0531 0.0341 66 GLN A OE1 310 N NE2 . GLN A 48 ? 0.4354 0.4379 0.2153 -0.0885 0.0239 0.0691 66 GLN A NE2 311 N N . GLN A 49 ? 0.3569 0.3896 0.3101 0.0114 0.0091 0.0949 67 GLN A N 312 C CA . GLN A 49 ? 0.3348 0.3851 0.3207 0.0233 0.0040 0.1068 67 GLN A CA 313 C C . GLN A 49 ? 0.3114 0.3676 0.2966 0.0235 0.0091 0.0854 67 GLN A C 314 O O . GLN A 49 ? 0.2968 0.3734 0.2930 0.0198 -0.0002 0.0912 67 GLN A O 315 C CB . GLN A 49 ? 0.3548 0.3911 0.3736 0.0456 0.0167 0.1176 67 GLN A CB 316 C CG . GLN A 49 ? 0.3889 0.4449 0.4523 0.0598 0.0167 0.1349 67 GLN A CG 317 C CD . GLN A 49 ? 0.4646 0.5534 0.5483 0.0507 -0.0080 0.1671 67 GLN A CD 318 O OE1 . GLN A 49 ? 0.4361 0.5253 0.5305 0.0501 -0.0174 0.1928 67 GLN A OE1 319 N NE2 . GLN A 49 ? 0.4639 0.5801 0.5523 0.0408 -0.0210 0.1682 67 GLN A NE2 320 N N . LEU A 50 ? 0.2972 0.3366 0.2714 0.0257 0.0216 0.0639 68 LEU A N 321 C CA . LEU A 50 ? 0.2929 0.3362 0.2692 0.0257 0.0253 0.0473 68 LEU A CA 322 C C . LEU A 50 ? 0.3105 0.3642 0.2734 0.0101 0.0198 0.0397 68 LEU A C 323 O O . LEU A 50 ? 0.2695 0.3338 0.2407 0.0086 0.0165 0.0375 68 LEU A O 324 C CB . LEU A 50 ? 0.2897 0.3162 0.2602 0.0272 0.0345 0.0325 68 LEU A CB 325 C CG . LEU A 50 ? 0.3030 0.3339 0.2793 0.0253 0.0353 0.0204 68 LEU A CG 326 C CD1 . LEU A 50 ? 0.2556 0.2934 0.2430 0.0326 0.0346 0.0238 68 LEU A CD1 327 C CD2 . LEU A 50 ? 0.2776 0.2964 0.2520 0.0230 0.0380 0.0138 68 LEU A CD2 328 N N . GLU A 51 ? 0.2910 0.3380 0.2308 -0.0035 0.0220 0.0351 69 GLU A N 329 C CA . GLU A 51 ? 0.3250 0.3723 0.2424 -0.0224 0.0229 0.0249 69 GLU A CA 330 C C . GLU A 51 ? 0.3240 0.3863 0.2350 -0.0336 0.0056 0.0384 69 GLU A C 331 O O . GLU A 51 ? 0.3131 0.3770 0.2188 -0.0435 0.0051 0.0289 69 GLU A O 332 C CB . GLU A 51 ? 0.3476 0.3819 0.2337 -0.0384 0.0315 0.0196 69 GLU A CB 333 C CG . GLU A 51 ? 0.3668 0.3905 0.2647 -0.0325 0.0506 0.0051 69 GLU A CG 334 C CD . GLU A 51 ? 0.4227 0.4336 0.2906 -0.0509 0.0658 -0.0029 69 GLU A CD 335 O OE1 . GLU A 51 ? 0.4352 0.4402 0.2638 -0.0717 0.0639 -0.0033 69 GLU A OE1 336 O OE2 . GLU A 51 ? 0.3436 0.3499 0.2250 -0.0476 0.0800 -0.0083 69 GLU A OE2 337 N N . SER A 52 ? 0.2881 0.3616 0.2041 -0.0331 -0.0093 0.0631 70 SER A N 338 C CA . SER A 52 ? 0.3480 0.4433 0.2678 -0.0454 -0.0310 0.0842 70 SER A CA 339 C C . SER A 52 ? 0.3170 0.4289 0.2746 -0.0324 -0.0324 0.0861 70 SER A C 340 O O . SER A 52 ? 0.3287 0.4545 0.2834 -0.0488 -0.0453 0.0899 70 SER A O 341 C CB . SER A 52 ? 0.3613 0.4685 0.2967 -0.0419 -0.0463 0.1172 70 SER A CB 342 O OG . SER A 52 ? 0.4227 0.5570 0.3686 -0.0567 -0.0721 0.1444 70 SER A OG 343 N N . ASP A 53 ? 0.2833 0.3911 0.2711 -0.0069 -0.0185 0.0829 71 ASP A N 344 C CA . ASP A 53 ? 0.2571 0.3780 0.2780 0.0052 -0.0156 0.0856 71 ASP A CA 345 C C . ASP A 53 ? 0.2408 0.3550 0.2491 -0.0025 -0.0102 0.0635 71 ASP A C 346 O O . ASP A 53 ? 0.2564 0.3849 0.2814 -0.0052 -0.0148 0.0675 71 ASP A O 347 C CB . ASP A 53 ? 0.2666 0.3777 0.3124 0.0300 0.0012 0.0875 71 ASP A CB 348 C CG . ASP A 53 ? 0.2927 0.4110 0.3675 0.0412 -0.0007 0.1140 71 ASP A CG 349 O OD1 . ASP A 53 ? 0.3058 0.4499 0.3992 0.0329 -0.0195 0.1390 71 ASP A OD1 350 O OD2 . ASP A 53 ? 0.2841 0.3812 0.3650 0.0568 0.0162 0.1118 71 ASP A OD2 351 N N . ILE A 54 ? 0.2488 0.3420 0.2338 -0.0061 0.0004 0.0428 72 ILE A N 352 C CA . ILE A 54 ? 0.2595 0.3434 0.2391 -0.0129 0.0073 0.0246 72 ILE A CA 353 C C . ILE A 54 ? 0.2921 0.3771 0.2490 -0.0378 -0.0011 0.0218 72 ILE A C 354 O O . ILE A 54 ? 0.2770 0.3645 0.2406 -0.0444 -0.0032 0.0184 72 ILE A O 355 C CB . ILE A 54 ? 0.2352 0.2998 0.2075 -0.0102 0.0221 0.0077 72 ILE A CB 356 C CG1 . ILE A 54 ? 0.2904 0.3529 0.2802 0.0077 0.0261 0.0108 72 ILE A CG1 357 C CG2 . ILE A 54 ? 0.2438 0.2965 0.2191 -0.0167 0.0322 -0.0082 72 ILE A CG2 358 C CD1 . ILE A 54 ? 0.2856 0.3364 0.2743 0.0085 0.0352 0.0020 72 ILE A CD1 359 N N . ASP A 55 ? 0.3255 0.4058 0.2505 -0.0553 -0.0064 0.0238 73 ASP A N 360 C CA . ASP A 55 ? 0.3571 0.4330 0.2456 -0.0871 -0.0160 0.0208 73 ASP A CA 361 C C . ASP A 55 ? 0.3668 0.4718 0.2738 -0.0959 -0.0407 0.0437 73 ASP A C 362 O O . ASP A 55 ? 0.3907 0.4918 0.2802 -0.1193 -0.0468 0.0372 73 ASP A O 363 C CB . ASP A 55 ? 0.4039 0.4692 0.2472 -0.1080 -0.0190 0.0226 73 ASP A CB 364 C CG . ASP A 55 ? 0.4276 0.4618 0.2483 -0.1083 0.0101 -0.0039 73 ASP A CG 365 O OD1 . ASP A 55 ? 0.4322 0.4538 0.2747 -0.0948 0.0304 -0.0226 73 ASP A OD1 366 O OD2 . ASP A 55 ? 0.4579 0.4823 0.2439 -0.1221 0.0127 -0.0030 73 ASP A OD2 367 N N . GLN A 56 ? 0.3342 0.4666 0.2803 -0.0779 -0.0523 0.0706 74 GLN A N 368 C CA . GLN A 56 ? 0.3577 0.5242 0.3414 -0.0801 -0.0717 0.0967 74 GLN A CA 369 C C . GLN A 56 ? 0.3438 0.5113 0.3491 -0.0738 -0.0624 0.0853 74 GLN A C 370 O O . GLN A 56 ? 0.3431 0.5261 0.3531 -0.0939 -0.0774 0.0934 74 GLN A O 371 C CB . GLN A 56 ? 0.3507 0.5408 0.3847 -0.0543 -0.0744 0.1254 74 GLN A CB 372 C CG . GLN A 56 ? 0.3890 0.6210 0.4776 -0.0547 -0.0924 0.1588 74 GLN A CG 373 C CD . GLN A 56 ? 0.4748 0.7289 0.5464 -0.0923 -0.1269 0.1803 74 GLN A CD 374 O OE1 . GLN A 56 ? 0.5392 0.8081 0.6144 -0.1125 -0.1395 0.1826 74 GLN A OE1 375 N NE2 . GLN A 56 ? 0.4446 0.6999 0.4944 -0.1055 -0.1439 0.1979 74 GLN A NE2 376 N N . ALA A 57 ? 0.2937 0.4450 0.3105 -0.0496 -0.0402 0.0691 75 ALA A N 377 C CA . ALA A 57 ? 0.3106 0.4595 0.3450 -0.0436 -0.0308 0.0602 75 ALA A CA 378 C C . ALA A 57 ? 0.3155 0.4439 0.3201 -0.0677 -0.0304 0.0409 75 ALA A C 379 O O . ALA A 57 ? 0.3117 0.4466 0.3279 -0.0776 -0.0348 0.0428 75 ALA A O 380 C CB . ALA A 57 ? 0.2380 0.3708 0.2807 -0.0193 -0.0114 0.0491 75 ALA A CB 381 N N . THR A 58 ? 0.3345 0.4353 0.3016 -0.0780 -0.0215 0.0217 76 THR A N 382 C CA . THR A 58 ? 0.3449 0.4167 0.2795 -0.1025 -0.0137 -0.0001 76 THR A CA 383 C C . THR A 58 ? 0.3915 0.4728 0.3020 -0.1374 -0.0355 0.0085 76 THR A C 384 O O . THR A 58 ? 0.3985 0.4698 0.3059 -0.1535 -0.0355 0.0008 76 THR A O 385 C CB . THR A 58 ? 0.3932 0.4332 0.2936 -0.1076 0.0055 -0.0215 76 THR A CB 386 O OG1 . THR A 58 ? 0.3409 0.3777 0.2707 -0.0780 0.0214 -0.0252 76 THR A OG1 387 C CG2 . THR A 58 ? 0.4377 0.4391 0.3058 -0.1319 0.0228 -0.0475 76 THR A CG2 388 N N . ALA A 59 ? 0.3865 0.4878 0.2820 -0.1510 -0.0565 0.0277 77 ALA A N 389 C CA . ALA A 59 ? 0.4392 0.5582 0.3159 -0.1881 -0.0859 0.0447 77 ALA A CA 390 C C . ALA A 59 ? 0.4225 0.5764 0.3520 -0.1837 -0.1002 0.0653 77 ALA A C 391 O O . ALA A 59 ? 0.4351 0.5877 0.3493 -0.2152 -0.1130 0.0644 77 ALA A O 392 C CB . ALA A 59 ? 0.4733 0.6157 0.3392 -0.1988 -0.1102 0.0720 77 ALA A CB 393 N N . ASP A 60 ? 0.3632 0.5451 0.3521 -0.1472 -0.0953 0.0828 78 ASP A N 394 C CA . ASP A 60 ? 0.3599 0.5757 0.4035 -0.1406 -0.1024 0.1030 78 ASP A CA 395 C C . ASP A 60 ? 0.3560 0.5482 0.3952 -0.1437 -0.0870 0.0811 78 ASP A C 396 O O . ASP A 60 ? 0.3985 0.6082 0.4558 -0.1618 -0.0993 0.0917 78 ASP A O 397 C CB . ASP A 60 ? 0.2969 0.5381 0.3977 -0.1016 -0.0918 0.1222 78 ASP A CB 398 C CG . ASP A 60 ? 0.3732 0.6456 0.4989 -0.0991 -0.1101 0.1544 78 ASP A CG 399 O OD1 . ASP A 60 ? 0.4073 0.6986 0.5216 -0.1304 -0.1399 0.1734 78 ASP A OD1 400 O OD2 . ASP A 60 ? 0.2847 0.5608 0.4404 -0.0681 -0.0954 0.1624 78 ASP A OD2 401 N N . ALA A 61 ? 0.3350 0.4895 0.3551 -0.1276 -0.0619 0.0540 79 ALA A N 402 C CA . ALA A 61 ? 0.3592 0.4865 0.3778 -0.1292 -0.0465 0.0354 79 ALA A CA 403 C C . ALA A 61 ? 0.4144 0.5144 0.3916 -0.1685 -0.0515 0.0193 79 ALA A C 404 O O . ALA A 61 ? 0.4242 0.5186 0.4106 -0.1813 -0.0519 0.0176 79 ALA A O 405 C CB . ALA A 61 ? 0.3330 0.4296 0.3478 -0.1045 -0.0219 0.0161 79 ALA A CB 406 N N . LYS A 62 ? 0.4549 0.5339 0.3819 -0.1905 -0.0536 0.0067 80 LYS A N 407 C CA . LYS A 62 ? 0.5595 0.6035 0.4317 -0.2345 -0.0553 -0.0124 80 LYS A CA 408 C C . LYS A 62 ? 0.5712 0.6470 0.4441 -0.2697 -0.0896 0.0106 80 LYS A C 409 O O . LYS A 62 ? 0.6387 0.6865 0.4752 -0.3074 -0.0921 -0.0037 80 LYS A O 410 C CB . LYS A 62 ? 0.6130 0.6258 0.4233 -0.2530 -0.0470 -0.0307 80 LYS A CB 411 C CG . LYS A 62 ? 0.6451 0.6193 0.4541 -0.2272 -0.0089 -0.0574 80 LYS A CG 412 C CD . LYS A 62 ? 0.8218 0.7624 0.5668 -0.2501 0.0044 -0.0772 80 LYS A CD 413 C CE . LYS A 62 ? 0.8742 0.7702 0.6215 -0.2315 0.0484 -0.1069 80 LYS A CE 414 N NZ . LYS A 62 ? 1.0078 0.8601 0.6839 -0.2624 0.0699 -0.1324 80 LYS A NZ 415 N N . ALA A 63 ? 0.5453 0.6784 0.4635 -0.2582 -0.1146 0.0470 81 ALA A N 416 C CA . ALA A 63 ? 0.5754 0.7518 0.5152 -0.2878 -0.1500 0.0781 81 ALA A CA 417 C C . ALA A 63 ? 0.5485 0.7507 0.5508 -0.2738 -0.1472 0.0910 81 ALA A C 418 O O . ALA A 63 ? 0.5648 0.8044 0.5942 -0.2986 -0.1738 0.1169 81 ALA A O 419 C CB . ALA A 63 ? 0.5377 0.7654 0.5074 -0.2824 -0.1772 0.1166 81 ALA A CB 420 N N . THR A 64 ? 0.5128 0.6956 0.5366 -0.2378 -0.1164 0.0751 82 THR A N 421 C CA . THR A 64 ? 0.5116 0.7143 0.5885 -0.2228 -0.1091 0.0867 82 THR A CA 422 C C . THR A 64 ? 0.5564 0.7161 0.6087 -0.2432 -0.0978 0.0633 82 THR A C 423 O O . THR A 64 ? 0.6047 0.7111 0.6139 -0.2453 -0.0785 0.0326 82 THR A O 424 C CB . THR A 64 ? 0.4706 0.6764 0.5806 -0.1746 -0.0841 0.0869 82 THR A CB 425 O OG1 . THR A 64 ? 0.4628 0.7023 0.5971 -0.1556 -0.0907 0.1074 82 THR A OG1 426 C CG2 . THR A 64 ? 0.4523 0.6745 0.6078 -0.1621 -0.0735 0.0985 82 THR A CG2 427 N N . SER A 65 ? 0.5786 0.7606 0.6637 -0.2579 -0.1072 0.0790 83 SER A N 428 C CA . SER A 65 ? 0.6231 0.7633 0.6906 -0.2774 -0.0961 0.0599 83 SER A CA 429 C C . SER A 65 ? 0.5863 0.7143 0.6852 -0.2404 -0.0692 0.0571 83 SER A C 430 O O . SER A 65 ? 0.5324 0.6902 0.6662 -0.2059 -0.0621 0.0723 83 SER A O 431 C CB . SER A 65 ? 0.6644 0.8319 0.7478 -0.3176 -0.1214 0.0788 83 SER A CB 432 O OG . SER A 65 ? 0.6538 0.8898 0.8067 -0.3026 -0.1339 0.1167 83 SER A OG 433 N N . ALA A 66 ? 0.5966 0.6771 0.6802 -0.2505 -0.0543 0.0387 84 ALA A N 434 C CA . ALA A 66 ? 0.5547 0.6168 0.6620 -0.2209 -0.0321 0.0380 84 ALA A CA 435 C C . ALA A 66 ? 0.4991 0.6111 0.6537 -0.1970 -0.0328 0.0661 84 ALA A C 436 O O . ALA A 66 ? 0.4539 0.6043 0.6379 -0.2113 -0.0445 0.0867 84 ALA A O 437 C CB . ALA A 66 ? 0.5938 0.6115 0.6943 -0.2428 -0.0231 0.0267 84 ALA A CB 438 N N . LEU A 67 ? 0.4308 0.5406 0.5917 -0.1628 -0.0184 0.0669 85 LEU A N 439 C CA . LEU A 67 ? 0.4095 0.5563 0.6018 -0.1408 -0.0124 0.0881 85 LEU A CA 440 C C . LEU A 67 ? 0.4098 0.5546 0.6217 -0.1444 -0.0035 0.1004 85 LEU A C 441 O O . LEU A 67 ? 0.4054 0.5112 0.6058 -0.1494 0.0021 0.0923 85 LEU A O 442 C CB . LEU A 67 ? 0.3935 0.5300 0.5738 -0.1100 -0.0006 0.0826 85 LEU A CB 443 C CG . LEU A 67 ? 0.3931 0.5331 0.5562 -0.1025 -0.0063 0.0730 85 LEU A CG 444 C CD1 . LEU A 67 ? 0.3452 0.4703 0.4964 -0.0760 0.0051 0.0672 85 LEU A CD1 445 C CD2 . LEU A 67 ? 0.4067 0.5926 0.5934 -0.1043 -0.0167 0.0905 85 LEU A CD2 446 N N . SER A 68 ? 0.3689 0.5547 0.6135 -0.1412 0.0003 0.1215 86 SER A N 447 C CA . SER A 68 ? 0.3868 0.5729 0.6458 -0.1403 0.0145 0.1350 86 SER A CA 448 C C . SER A 68 ? 0.3979 0.5552 0.6315 -0.1187 0.0286 0.1312 86 SER A C 449 O O . SER A 68 ? 0.3321 0.4791 0.5459 -0.1016 0.0288 0.1205 86 SER A O 450 C CB . SER A 68 ? 0.3955 0.6322 0.6966 -0.1372 0.0232 0.1570 86 SER A CB 451 O OG . SER A 68 ? 0.3567 0.6032 0.6559 -0.1105 0.0388 0.1578 86 SER A OG 452 N N . ALA A 69 ? 0.3957 0.5413 0.6291 -0.1229 0.0383 0.1426 87 ALA A N 453 C CA . ALA A 69 ? 0.3786 0.4982 0.5853 -0.1102 0.0464 0.1455 87 ALA A CA 454 C C . ALA A 69 ? 0.3621 0.4949 0.5530 -0.0917 0.0578 0.1445 87 ALA A C 455 O O . ALA A 69 ? 0.3364 0.4498 0.5022 -0.0800 0.0541 0.1370 87 ALA A O 456 C CB . ALA A 69 ? 0.4362 0.5481 0.6441 -0.1228 0.0550 0.1638 87 ALA A CB 457 N N . ALA A 70 ? 0.3454 0.5098 0.5549 -0.0900 0.0736 0.1528 88 ALA A N 458 C CA . ALA A 70 ? 0.3439 0.5147 0.5398 -0.0734 0.0917 0.1502 88 ALA A CA 459 C C . ALA A 70 ? 0.3149 0.4915 0.5129 -0.0595 0.0812 0.1374 88 ALA A C 460 O O . ALA A 70 ? 0.3200 0.4814 0.4896 -0.0469 0.0873 0.1291 88 ALA A O 461 C CB . ALA A 70 ? 0.3473 0.5491 0.5746 -0.0732 0.1182 0.1629 88 ALA A CB 462 N N . ASP A 71 ? 0.3048 0.5011 0.5312 -0.0656 0.0643 0.1363 89 ASP A N 463 C CA . ASP A 71 ? 0.2834 0.4839 0.5073 -0.0563 0.0526 0.1262 89 ASP A CA 464 C C . ASP A 71 ? 0.2615 0.4252 0.4479 -0.0527 0.0427 0.1095 89 ASP A C 465 O O . ASP A 71 ? 0.2476 0.4046 0.4178 -0.0392 0.0436 0.1013 89 ASP A O 466 C CB . ASP A 71 ? 0.2773 0.5063 0.5319 -0.0708 0.0338 0.1318 89 ASP A CB 467 C CG . ASP A 71 ? 0.3030 0.5791 0.6100 -0.0683 0.0415 0.1535 89 ASP A CG 468 O OD1 . ASP A 71 ? 0.3757 0.6582 0.6944 -0.0510 0.0676 0.1597 89 ASP A OD1 469 O OD2 . ASP A 71 ? 0.3041 0.6102 0.6421 -0.0851 0.0223 0.1654 89 ASP A OD2 470 N N . SER A 72 ? 0.2677 0.4074 0.4462 -0.0640 0.0355 0.1063 90 SER A N 471 C CA . SER A 72 ? 0.2722 0.3793 0.4296 -0.0583 0.0303 0.0954 90 SER A CA 472 C C . SER A 72 ? 0.2832 0.3802 0.4183 -0.0454 0.0367 0.0997 90 SER A C 473 O O . SER A 72 ? 0.2690 0.3556 0.3912 -0.0357 0.0327 0.0915 90 SER A O 474 C CB . SER A 72 ? 0.2850 0.3662 0.4485 -0.0709 0.0264 0.0958 90 SER A CB 475 O OG . SER A 72 ? 0.2818 0.3339 0.4395 -0.0634 0.0242 0.0878 90 SER A OG 476 N N . THR A 73 ? 0.2892 0.3883 0.4162 -0.0490 0.0469 0.1127 91 THR A N 477 C CA . THR A 73 ? 0.2930 0.3785 0.3861 -0.0450 0.0525 0.1168 91 THR A CA 478 C C . THR A 73 ? 0.2746 0.3673 0.3550 -0.0328 0.0618 0.1064 91 THR A C 479 O O . THR A 73 ? 0.2695 0.3470 0.3244 -0.0287 0.0570 0.1017 91 THR A O 480 C CB . THR A 73 ? 0.3340 0.4170 0.4107 -0.0564 0.0665 0.1312 91 THR A CB 481 O OG1 . THR A 73 ? 0.3301 0.4027 0.4179 -0.0684 0.0565 0.1438 91 THR A OG1 482 C CG2 . THR A 73 ? 0.3454 0.4087 0.3727 -0.0596 0.0716 0.1337 91 THR A CG2 483 N N . SER A 74 ? 0.2659 0.3824 0.3694 -0.0278 0.0744 0.1056 92 SER A N 484 C CA . SER A 74 ? 0.2729 0.3948 0.3733 -0.0144 0.0863 0.0985 92 SER A CA 485 C C . SER A 74 ? 0.2532 0.3702 0.3498 -0.0071 0.0698 0.0876 92 SER A C 486 O O . SER A 74 ? 0.2836 0.3862 0.3557 -0.0002 0.0739 0.0805 92 SER A O 487 C CB . SER A 74 ? 0.2627 0.4172 0.4074 -0.0091 0.0994 0.1065 92 SER A CB 488 O OG . SER A 74 ? 0.3835 0.5417 0.5325 -0.0135 0.1234 0.1156 92 SER A OG 489 N N . VAL A 75 ? 0.2544 0.3801 0.3713 -0.0116 0.0532 0.0853 93 VAL A N 490 C CA . VAL A 75 ? 0.2342 0.3540 0.3459 -0.0077 0.0409 0.0740 93 VAL A CA 491 C C . VAL A 75 ? 0.2446 0.3389 0.3351 -0.0062 0.0352 0.0685 93 VAL A C 492 O O . VAL A 75 ? 0.2501 0.3378 0.3288 0.0007 0.0331 0.0613 93 VAL A O 493 C CB . VAL A 75 ? 0.2694 0.3976 0.3976 -0.0194 0.0282 0.0708 93 VAL A CB 494 C CG1 . VAL A 75 ? 0.2627 0.3747 0.3770 -0.0196 0.0206 0.0563 93 VAL A CG1 495 C CG2 . VAL A 75 ? 0.1891 0.3495 0.3425 -0.0224 0.0263 0.0811 93 VAL A CG2 496 N N . THR A 76 ? 0.2594 0.3416 0.3506 -0.0134 0.0318 0.0754 94 THR A N 497 C CA . THR A 76 ? 0.2742 0.3378 0.3583 -0.0128 0.0233 0.0786 94 THR A CA 498 C C . THR A 76 ? 0.3026 0.3606 0.3557 -0.0114 0.0243 0.0818 94 THR A C 499 O O . THR A 76 ? 0.2968 0.3485 0.3452 -0.0082 0.0165 0.0793 94 THR A O 500 C CB . THR A 76 ? 0.3013 0.3543 0.3959 -0.0215 0.0187 0.0927 94 THR A CB 501 O OG1 . THR A 76 ? 0.2600 0.3096 0.3797 -0.0255 0.0193 0.0866 94 THR A OG1 502 C CG2 . THR A 76 ? 0.2844 0.3239 0.3817 -0.0211 0.0067 0.1044 94 THR A CG2 503 N N . ASN A 77 ? 0.3091 0.3671 0.3398 -0.0164 0.0364 0.0866 95 ASN A N 504 C CA . ASN A 77 ? 0.3412 0.3845 0.3298 -0.0209 0.0419 0.0862 95 ASN A CA 505 C C . ASN A 77 ? 0.3328 0.3762 0.3159 -0.0104 0.0490 0.0723 95 ASN A C 506 O O . ASN A 77 ? 0.3655 0.3938 0.3199 -0.0149 0.0444 0.0696 95 ASN A O 507 C CB . ASN A 77 ? 0.3496 0.3858 0.3103 -0.0307 0.0614 0.0912 95 ASN A CB 508 C CG . ASN A 77 ? 0.4176 0.4460 0.3672 -0.0466 0.0510 0.1086 95 ASN A CG 509 O OD1 . ASN A 77 ? 0.3538 0.3852 0.3303 -0.0466 0.0309 0.1181 95 ASN A OD1 510 N ND2 . ASN A 77 ? 0.3683 0.3834 0.2779 -0.0609 0.0672 0.1137 95 ASN A ND2 511 N N . ALA A 78 ? 0.2793 0.3400 0.2906 0.0008 0.0576 0.0664 96 ALA A N 512 C CA . ALA A 78 ? 0.3190 0.3810 0.3318 0.0116 0.0625 0.0572 96 ALA A CA 513 C C . ALA A 78 ? 0.3249 0.3838 0.3398 0.0130 0.0451 0.0517 96 ALA A C 514 O O . ALA A 78 ? 0.3458 0.3940 0.3437 0.0154 0.0460 0.0457 96 ALA A O 515 C CB . ALA A 78 ? 0.2766 0.3625 0.3248 0.0203 0.0696 0.0598 96 ALA A CB 516 N N . LEU A 79 ? 0.3680 0.4272 0.5177 -0.1254 0.0952 0.0796 97 LEU A N 517 C CA . LEU A 79 ? 0.3687 0.3906 0.4899 -0.1174 0.0757 0.0668 97 LEU A CA 518 C C . LEU A 79 ? 0.3698 0.3646 0.4473 -0.1018 0.0802 0.0742 97 LEU A C 519 O O . LEU A 79 ? 0.3577 0.3463 0.4130 -0.0858 0.0702 0.0643 97 LEU A O 520 C CB . LEU A 79 ? 0.3816 0.3705 0.5106 -0.1384 0.0665 0.0630 97 LEU A CB 521 C CG . LEU A 79 ? 0.4708 0.4199 0.5749 -0.1299 0.0535 0.0477 97 LEU A CG 522 C CD1 . LEU A 79 ? 0.3617 0.3341 0.4647 -0.1223 0.0373 0.0302 97 LEU A CD1 523 C CD2 . LEU A 79 ? 0.5664 0.4718 0.6739 -0.1518 0.0539 0.0412 97 LEU A CD2 524 N N . LEU A 80 ? 0.4218 0.4041 0.4876 -0.1092 0.0934 0.0947 98 LEU A N 525 C CA . LEU A 80 ? 0.4565 0.4202 0.4813 -0.0993 0.0929 0.1089 98 LEU A CA 526 C C . LEU A 80 ? 0.4670 0.4510 0.4583 -0.0892 0.0990 0.1021 98 LEU A C 527 O O . LEU A 80 ? 0.4333 0.4077 0.3914 -0.0806 0.0876 0.1023 98 LEU A O 528 C CB . LEU A 80 ? 0.5376 0.4849 0.5563 -0.1117 0.1045 0.1382 98 LEU A CB 529 C CG . LEU A 80 ? 0.6137 0.5231 0.6588 -0.1207 0.1015 0.1465 98 LEU A CG 530 C CD1 . LEU A 80 ? 0.7126 0.6025 0.7481 -0.1291 0.1129 0.1822 98 LEU A CD1 531 C CD2 . LEU A 80 ? 0.6620 0.5434 0.7073 -0.1053 0.0859 0.1362 98 LEU A CD2 532 N N . GLY A 81 ? 0.4438 0.4549 0.4466 -0.0913 0.1186 0.0956 99 GLY A N 533 C CA . GLY A 81 ? 0.4749 0.4959 0.4479 -0.0811 0.1315 0.0823 99 GLY A CA 534 C C . GLY A 81 ? 0.4638 0.4790 0.4324 -0.0663 0.1142 0.0620 99 GLY A C 535 O O . GLY A 81 ? 0.5215 0.5296 0.4527 -0.0605 0.1205 0.0508 99 GLY A O 536 N N . LEU A 82 ? 0.4181 0.4328 0.4197 -0.0632 0.0942 0.0563 100 LEU A N 537 C CA . LEU A 82 ? 0.3961 0.4034 0.3912 -0.0513 0.0772 0.0411 100 LEU A CA 538 C C . LEU A 82 ? 0.4068 0.3926 0.3638 -0.0497 0.0634 0.0449 100 LEU A C 539 O O . LEU A 82 ? 0.3792 0.3604 0.3193 -0.0426 0.0553 0.0335 100 LEU A O 540 C CB . LEU A 82 ? 0.3405 0.3518 0.3709 -0.0523 0.0602 0.0347 100 LEU A CB 541 C CG . LEU A 82 ? 0.4106 0.4543 0.4867 -0.0559 0.0627 0.0335 100 LEU A CG 542 C CD1 . LEU A 82 ? 0.3268 0.3700 0.4192 -0.0642 0.0407 0.0266 100 LEU A CD1 543 C CD2 . LEU A 82 ? 0.4215 0.4843 0.5069 -0.0397 0.0742 0.0286 100 LEU A CD2 544 N N . LYS A 83 ? 0.4109 0.3859 0.3593 -0.0568 0.0605 0.0643 101 LYS A N 545 C CA . LYS A 83 ? 0.4246 0.3879 0.3565 -0.0533 0.0436 0.0753 101 LYS A CA 546 C C . LYS A 83 ? 0.4295 0.3979 0.3192 -0.0543 0.0370 0.0712 101 LYS A C 547 O O . LYS A 83 ? 0.3769 0.3448 0.2678 -0.0485 0.0221 0.0654 101 LYS A O 548 C CB . LYS A 83 ? 0.4848 0.4371 0.4200 -0.0585 0.0435 0.1045 101 LYS A CB 549 C CG . LYS A 83 ? 0.5432 0.4884 0.4832 -0.0495 0.0264 0.1218 101 LYS A CG 550 C CD . LYS A 83 ? 0.6271 0.5689 0.5605 -0.0533 0.0242 0.1602 101 LYS A CD 551 C CE . LYS A 83 ? 0.6713 0.5879 0.6343 -0.0559 0.0386 0.1721 101 LYS A CE 552 N NZ . LYS A 83 ? 0.7044 0.6127 0.6681 -0.0555 0.0357 0.2159 101 LYS A NZ 553 N N . PRO A 84 ? 0.4778 0.4494 0.3269 -0.0647 0.0498 0.0725 102 PRO A N 554 C CA . PRO A 84 ? 0.4981 0.4678 0.2980 -0.0724 0.0428 0.0640 102 PRO A CA 555 C C . PRO A 84 ? 0.4815 0.4438 0.2851 -0.0646 0.0460 0.0350 102 PRO A C 556 O O . PRO A 84 ? 0.4698 0.4279 0.2499 -0.0700 0.0318 0.0288 102 PRO A O 557 C CB . PRO A 84 ? 0.5988 0.5664 0.3470 -0.0880 0.0626 0.0668 102 PRO A CB 558 C CG . PRO A 84 ? 0.5763 0.5488 0.3568 -0.0842 0.0850 0.0726 102 PRO A CG 559 C CD . PRO A 84 ? 0.5074 0.4823 0.3481 -0.0737 0.0717 0.0822 102 PRO A CD 560 N N . ASP A 85 ? 0.4292 0.3923 0.2663 -0.0532 0.0626 0.0214 103 ASP A N 561 C CA . ASP A 85 ? 0.4207 0.3763 0.2680 -0.0429 0.0657 0.0007 103 ASP A CA 562 C C . ASP A 85 ? 0.3873 0.3447 0.2593 -0.0365 0.0421 0.0016 103 ASP A C 563 O O . ASP A 85 ? 0.3628 0.3103 0.2267 -0.0341 0.0373 -0.0102 103 ASP A O 564 C CB . ASP A 85 ? 0.4145 0.3800 0.3015 -0.0307 0.0866 -0.0055 103 ASP A CB 565 C CG . ASP A 85 ? 0.5646 0.5258 0.4299 -0.0328 0.1203 -0.0117 103 ASP A CG 566 O OD1 . ASP A 85 ? 0.6674 0.6095 0.4733 -0.0458 0.1278 -0.0183 103 ASP A OD1 567 O OD2 . ASP A 85 ? 0.5365 0.5156 0.4443 -0.0228 0.1399 -0.0099 103 ASP A OD2 568 N N . ILE A 86 ? 0.3546 0.3202 0.2547 -0.0347 0.0313 0.0148 104 ILE A N 569 C CA . ILE A 86 ? 0.3572 0.3216 0.2764 -0.0292 0.0149 0.0152 104 ILE A CA 570 C C . ILE A 86 ? 0.3628 0.3279 0.2613 -0.0339 0.0009 0.0229 104 ILE A C 571 O O . ILE A 86 ? 0.3453 0.3098 0.2450 -0.0320 -0.0073 0.0156 104 ILE A O 572 C CB . ILE A 86 ? 0.3285 0.2914 0.2771 -0.0280 0.0131 0.0244 104 ILE A CB 573 C CG1 . ILE A 86 ? 0.3616 0.3305 0.3345 -0.0290 0.0199 0.0159 104 ILE A CG1 574 C CG2 . ILE A 86 ? 0.3266 0.2831 0.2875 -0.0220 0.0028 0.0251 104 ILE A CG2 575 C CD1 . ILE A 86 ? 0.3923 0.3537 0.3860 -0.0364 0.0215 0.0219 104 ILE A CD1 576 N N . VAL A 87 ? 0.3863 0.3568 0.2678 -0.0421 -0.0031 0.0411 105 VAL A N 577 C CA . VAL A 87 ? 0.4047 0.3870 0.2710 -0.0500 -0.0212 0.0555 105 VAL A CA 578 C C . VAL A 87 ? 0.4450 0.4225 0.2732 -0.0629 -0.0243 0.0375 105 VAL A C 579 O O . VAL A 87 ? 0.4048 0.3911 0.2365 -0.0676 -0.0393 0.0388 105 VAL A O 580 C CB . VAL A 87 ? 0.4560 0.4486 0.3067 -0.0588 -0.0273 0.0840 105 VAL A CB 581 C CG1 . VAL A 87 ? 0.4724 0.4872 0.3042 -0.0723 -0.0514 0.1026 105 VAL A CG1 582 C CG2 . VAL A 87 ? 0.4542 0.4432 0.3490 -0.0452 -0.0236 0.1043 105 VAL A CG2 583 N N . THR A 88 ? 0.4414 0.4023 0.2359 -0.0691 -0.0065 0.0200 106 THR A N 584 C CA . THR A 88 ? 0.4731 0.4151 0.2270 -0.0818 -0.0019 -0.0022 106 THR A CA 585 C C . THR A 88 ? 0.4493 0.3820 0.2309 -0.0711 -0.0031 -0.0158 106 THR A C 586 O O . THR A 88 ? 0.4565 0.3825 0.2208 -0.0837 -0.0133 -0.0227 106 THR A O 587 C CB . THR A 88 ? 0.4933 0.4131 0.2144 -0.0839 0.0280 -0.0200 106 THR A CB 588 O OG1 . THR A 88 ? 0.5329 0.4600 0.2144 -0.0998 0.0291 -0.0068 106 THR A OG1 589 C CG2 . THR A 88 ? 0.5649 0.4507 0.2463 -0.0938 0.0414 -0.0481 106 THR A CG2 590 N N . SER A 89 ? 0.4048 0.3390 0.2278 -0.0512 0.0056 -0.0173 107 SER A N 591 C CA . SER A 89 ? 0.3727 0.3002 0.2198 -0.0409 0.0041 -0.0253 107 SER A CA 592 C C . SER A 89 ? 0.3725 0.3139 0.2342 -0.0440 -0.0153 -0.0154 107 SER A C 593 O O . SER A 89 ? 0.3791 0.3122 0.2353 -0.0495 -0.0196 -0.0218 107 SER A O 594 C CB . SER A 89 ? 0.3771 0.3112 0.2615 -0.0241 0.0125 -0.0245 107 SER A CB 595 O OG . SER A 89 ? 0.3966 0.3228 0.2961 -0.0152 0.0134 -0.0303 107 SER A OG 596 N N . LEU A 90 ? 0.3406 0.3012 0.2240 -0.0400 -0.0234 0.0012 108 LEU A N 597 C CA . LEU A 90 ? 0.3334 0.3108 0.2392 -0.0393 -0.0359 0.0134 108 LEU A CA 598 C C . LEU A 90 ? 0.3750 0.3651 0.2622 -0.0579 -0.0511 0.0201 108 LEU A C 599 O O . LEU A 90 ? 0.3535 0.3523 0.2531 -0.0625 -0.0581 0.0212 108 LEU A O 600 C CB . LEU A 90 ? 0.3134 0.3024 0.2477 -0.0294 -0.0362 0.0314 108 LEU A CB 601 C CG . LEU A 90 ? 0.3164 0.2911 0.2681 -0.0176 -0.0234 0.0225 108 LEU A CG 602 C CD1 . LEU A 90 ? 0.2556 0.2292 0.2273 -0.0118 -0.0196 0.0383 108 LEU A CD1 603 C CD2 . LEU A 90 ? 0.2833 0.2538 0.2475 -0.0117 -0.0203 0.0121 108 LEU A CD2 604 N N . ASP A 91 ? 0.4112 0.4039 0.2655 -0.0726 -0.0566 0.0252 109 ASP A N 605 C CA . ASP A 91 ? 0.4363 0.4407 0.2607 -0.0989 -0.0747 0.0292 109 ASP A CA 606 C C . ASP A 91 ? 0.4566 0.4334 0.2555 -0.1123 -0.0696 0.0037 109 ASP A C 607 O O . ASP A 91 ? 0.4491 0.4388 0.2467 -0.1315 -0.0855 0.0073 109 ASP A O 608 C CB . ASP A 91 ? 0.5064 0.5119 0.2832 -0.1168 -0.0792 0.0353 109 ASP A CB 609 C CG . ASP A 91 ? 0.5027 0.5397 0.3057 -0.1089 -0.0909 0.0706 109 ASP A CG 610 O OD1 . ASP A 91 ? 0.4301 0.4867 0.2899 -0.0901 -0.0948 0.0890 109 ASP A OD1 611 O OD2 . ASP A 91 ? 0.4948 0.5338 0.2602 -0.1216 -0.0937 0.0811 109 ASP A OD2 612 N N . ALA A 92 ? 0.4329 0.3732 0.2173 -0.1023 -0.0469 -0.0188 110 ALA A N 613 C CA . ALA A 92 ? 0.4754 0.3793 0.2373 -0.1113 -0.0367 -0.0414 110 ALA A CA 614 C C . ALA A 92 ? 0.4389 0.3478 0.2370 -0.1048 -0.0419 -0.0371 110 ALA A C 615 O O . ALA A 92 ? 0.4409 0.3344 0.2240 -0.1240 -0.0460 -0.0451 110 ALA A O 616 C CB . ALA A 92 ? 0.5032 0.3715 0.2545 -0.0956 -0.0080 -0.0597 110 ALA A CB 617 N N . ILE A 93 ? 0.3891 0.3165 0.2295 -0.0815 -0.0403 -0.0256 111 ILE A N 618 C CA . ILE A 93 ? 0.3880 0.3234 0.2571 -0.0772 -0.0432 -0.0197 111 ILE A CA 619 C C . ILE A 93 ? 0.3515 0.3243 0.2408 -0.0905 -0.0603 -0.0023 111 ILE A C 620 O O . ILE A 93 ? 0.3884 0.3646 0.2860 -0.1024 -0.0641 -0.0006 111 ILE A O 621 C CB . ILE A 93 ? 0.3796 0.3181 0.2762 -0.0531 -0.0342 -0.0165 111 ILE A CB 622 C CG1 . ILE A 93 ? 0.3766 0.3152 0.2874 -0.0522 -0.0330 -0.0130 111 ILE A CG1 623 C CG2 . ILE A 93 ? 0.3271 0.2899 0.2451 -0.0427 -0.0364 -0.0053 111 ILE A CG2 624 C CD1 . ILE A 93 ? 0.4207 0.3276 0.3132 -0.0626 -0.0291 -0.0210 111 ILE A CD1 625 N N . VAL A 94 ? 0.3352 0.3381 0.2368 -0.0891 -0.0703 0.0140 112 VAL A N 626 C CA . VAL A 94 ? 0.3446 0.3917 0.2751 -0.1003 -0.0881 0.0373 112 VAL A CA 627 C C . VAL A 94 ? 0.3916 0.4411 0.2928 -0.1358 -0.1051 0.0334 112 VAL A C 628 O O . VAL A 94 ? 0.3417 0.4185 0.2701 -0.1490 -0.1151 0.0447 112 VAL A O 629 C CB . VAL A 94 ? 0.3337 0.4109 0.2842 -0.0911 -0.0967 0.0616 112 VAL A CB 630 C CG1 . VAL A 94 ? 0.3474 0.4777 0.3280 -0.1065 -0.1208 0.0920 112 VAL A CG1 631 C CG2 . VAL A 94 ? 0.2791 0.3522 0.2669 -0.0600 -0.0783 0.0657 112 VAL A CG2 632 N N . ALA A 95 ? 0.4253 0.4441 0.2699 -0.1535 -0.1057 0.0157 113 ALA A N 633 C CA . ALA A 95 ? 0.4857 0.4925 0.2861 -0.1938 -0.1191 0.0040 113 ALA A CA 634 C C . ALA A 95 ? 0.4865 0.4653 0.2906 -0.2033 -0.1106 -0.0108 113 ALA A C 635 O O . ALA A 95 ? 0.5306 0.5136 0.3209 -0.2388 -0.1258 -0.0125 113 ALA A O 636 C CB . ALA A 95 ? 0.5497 0.5134 0.2810 -0.2070 -0.1093 -0.0199 113 ALA A CB 637 N N . LYS A 96 ? 0.4522 0.4043 0.2749 -0.1740 -0.0882 -0.0186 114 LYS A N 638 C CA . LYS A 96 ? 0.5026 0.4252 0.3304 -0.1779 -0.0776 -0.0272 114 LYS A CA 639 C C . LYS A 96 ? 0.4677 0.4285 0.3490 -0.1687 -0.0798 -0.0063 114 LYS A C 640 O O . LYS A 96 ? 0.4808 0.4176 0.3681 -0.1648 -0.0674 -0.0093 114 LYS A O 641 C CB . LYS A 96 ? 0.4857 0.3564 0.2993 -0.1532 -0.0524 -0.0441 114 LYS A CB 642 C CG . LYS A 96 ? 0.5746 0.3951 0.3357 -0.1645 -0.0398 -0.0691 114 LYS A CG 643 C CD . LYS A 96 ? 0.6592 0.4385 0.3834 -0.2016 -0.0401 -0.0862 114 LYS A CD 644 C CE . LYS A 96 ? 0.7635 0.4776 0.4310 -0.2103 -0.0171 -0.1168 114 LYS A CE 645 N NZ . LYS A 96 ? 0.8427 0.5731 0.4713 -0.2215 -0.0231 -0.1227 114 LYS A NZ 646 N N . LYS A 97 ? 0.4287 0.4472 0.3496 -0.1651 -0.0928 0.0167 115 LYS A N 647 C CA . LYS A 97 ? 0.4091 0.4631 0.3821 -0.1550 -0.0874 0.0351 115 LYS A CA 648 C C . LYS A 97 ? 0.4214 0.4733 0.3988 -0.1836 -0.0900 0.0360 115 LYS A C 649 O O . LYS A 97 ? 0.3654 0.4140 0.3621 -0.1743 -0.0744 0.0402 115 LYS A O 650 C CB . LYS A 97 ? 0.4171 0.5344 0.4413 -0.1471 -0.0979 0.0627 115 LYS A CB 651 C CG . LYS A 97 ? 0.4031 0.5494 0.4815 -0.1284 -0.0801 0.0778 115 LYS A CG 652 C CD . LYS A 97 ? 0.4708 0.6785 0.6122 -0.1162 -0.0844 0.1080 115 LYS A CD 653 C CE . LYS A 97 ? 0.4661 0.6917 0.6558 -0.0941 -0.0557 0.1169 115 LYS A CE 654 N NZ . LYS A 97 ? 0.4487 0.7075 0.6702 -0.1155 -0.0555 0.1292 115 LYS A NZ 655 N N . PRO A 98 ? 0.4651 0.5182 0.4211 -0.2221 -0.1096 0.0325 116 PRO A N 656 C CA . PRO A 98 ? 0.4976 0.5443 0.4593 -0.2529 -0.1108 0.0330 116 PRO A CA 657 C C . PRO A 98 ? 0.4968 0.4748 0.4312 -0.2444 -0.0870 0.0155 116 PRO A C 658 O O . PRO A 98 ? 0.5079 0.4872 0.4649 -0.2494 -0.0774 0.0252 116 PRO A O 659 C CB . PRO A 98 ? 0.5586 0.6019 0.4829 -0.2999 -0.1358 0.0239 116 PRO A CB 660 C CG . PRO A 98 ? 0.5594 0.6459 0.4853 -0.2933 -0.1546 0.0362 116 PRO A CG 661 C CD . PRO A 98 ? 0.4997 0.5662 0.4268 -0.2448 -0.1329 0.0315 116 PRO A CD 662 N N . GLN A 99 ? 0.4934 0.4150 0.3835 -0.2312 -0.0765 -0.0064 117 GLN A N 663 C CA . GLN A 99 ? 0.5459 0.4040 0.4167 -0.2180 -0.0546 -0.0176 117 GLN A CA 664 C C . GLN A 99 ? 0.4960 0.3695 0.3953 -0.1821 -0.0417 -0.0026 117 GLN A C 665 O O . GLN A 99 ? 0.5231 0.3708 0.4244 -0.1786 -0.0295 0.0038 117 GLN A O 666 C CB . GLN A 99 ? 0.5760 0.3773 0.4022 -0.2101 -0.0439 -0.0420 117 GLN A CB 667 C CG . GLN A 99 ? 0.6989 0.4578 0.4778 -0.2506 -0.0476 -0.0650 117 GLN A CG 668 C CD . GLN A 99 ? 0.7134 0.5163 0.4761 -0.2759 -0.0722 -0.0657 117 GLN A CD 669 O OE1 . GLN A 99 ? 0.6233 0.4782 0.4082 -0.2557 -0.0821 -0.0508 117 GLN A OE1 670 N NE2 . GLN A 99 ? 0.8346 0.6147 0.5562 -0.3226 -0.0828 -0.0816 117 GLN A NE2 671 N N . VAL A 100 ? 0.4249 0.3376 0.3420 -0.1585 -0.0443 0.0037 118 VAL A N 672 C CA . VAL A 100 ? 0.3947 0.3240 0.3316 -0.1311 -0.0329 0.0145 118 VAL A CA 673 C C . VAL A 100 ? 0.4040 0.3620 0.3690 -0.1406 -0.0272 0.0312 118 VAL A C 674 O O . VAL A 100 ? 0.4229 0.3676 0.3837 -0.1322 -0.0141 0.0376 118 VAL A O 675 C CB . VAL A 100 ? 0.3785 0.3401 0.3294 -0.1099 -0.0351 0.0161 118 VAL A CB 676 C CG1 . VAL A 100 ? 0.3189 0.2977 0.2868 -0.0901 -0.0214 0.0242 118 VAL A CG1 677 C CG2 . VAL A 100 ? 0.3659 0.2999 0.2909 -0.0976 -0.0356 0.0019 118 VAL A CG2 678 N N . ASP A 101 ? 0.4024 0.4035 0.3970 -0.1597 -0.0372 0.0411 119 ASP A N 679 C CA . ASP A 101 ? 0.4127 0.4497 0.4441 -0.1685 -0.0280 0.0594 119 ASP A CA 680 C C . ASP A 101 ? 0.4659 0.4695 0.4830 -0.1941 -0.0240 0.0609 119 ASP A C 681 O O . ASP A 101 ? 0.4234 0.4295 0.4493 -0.1920 -0.0072 0.0728 119 ASP A O 682 C CB . ASP A 101 ? 0.4053 0.5078 0.4861 -0.1802 -0.0405 0.0759 119 ASP A CB 683 C CG . ASP A 101 ? 0.3722 0.5063 0.4779 -0.1496 -0.0368 0.0814 119 ASP A CG 684 O OD1 . ASP A 101 ? 0.4487 0.5596 0.5383 -0.1222 -0.0193 0.0725 119 ASP A OD1 685 O OD2 . ASP A 101 ? 0.4096 0.5909 0.5508 -0.1550 -0.0525 0.0965 119 ASP A OD2 686 N N . SER A 102 ? 0.4880 0.4539 0.4775 -0.2187 -0.0365 0.0477 120 SER A N 687 C CA . SER A 102 ? 0.5780 0.4932 0.5478 -0.2424 -0.0303 0.0454 120 SER A CA 688 C C . SER A 102 ? 0.5599 0.4304 0.5101 -0.2163 -0.0114 0.0491 120 SER A C 689 O O . SER A 102 ? 0.5931 0.4515 0.5476 -0.2252 0.0000 0.0640 120 SER A O 690 C CB . SER A 102 ? 0.5911 0.4581 0.5230 -0.2684 -0.0416 0.0226 120 SER A CB 691 O OG . SER A 102 ? 0.7950 0.6045 0.7091 -0.2939 -0.0330 0.0188 120 SER A OG 692 N N . ALA A 103 ? 0.5342 0.3855 0.4650 -0.1862 -0.0098 0.0393 121 ALA A N 693 C CA . ALA A 103 ? 0.5436 0.3645 0.4599 -0.1609 0.0019 0.0474 121 ALA A CA 694 C C . ALA A 103 ? 0.5056 0.3656 0.4322 -0.1474 0.0100 0.0642 121 ALA A C 695 O O . ALA A 103 ? 0.5174 0.3584 0.4293 -0.1386 0.0177 0.0782 121 ALA A O 696 C CB . ALA A 103 ? 0.5000 0.3006 0.4010 -0.1357 -0.0003 0.0341 121 ALA A CB 697 N N . GLY A 104 ? 0.4779 0.3903 0.4279 -0.1462 0.0099 0.0638 122 GLY A N 698 C CA . GLY A 104 ? 0.4633 0.4079 0.4199 -0.1351 0.0247 0.0741 122 GLY A CA 699 C C . GLY A 104 ? 0.4486 0.3920 0.3854 -0.1091 0.0254 0.0655 122 GLY A C 700 O O . GLY A 104 ? 0.4584 0.4092 0.3796 -0.1022 0.0384 0.0705 122 GLY A O 701 N N . VAL A 105 ? 0.4086 0.3426 0.3424 -0.0984 0.0125 0.0517 123 VAL A N 702 C CA . VAL A 105 ? 0.3908 0.3214 0.3076 -0.0781 0.0106 0.0442 123 VAL A CA 703 C C . VAL A 105 ? 0.3560 0.3123 0.2889 -0.0676 0.0107 0.0333 123 VAL A C 704 O O . VAL A 105 ? 0.3317 0.2815 0.2539 -0.0550 0.0058 0.0245 123 VAL A O 705 C CB . VAL A 105 ? 0.4194 0.3162 0.3214 -0.0701 0.0002 0.0416 123 VAL A CB 706 C CG1 . VAL A 105 ? 0.4718 0.3397 0.3608 -0.0750 0.0029 0.0587 123 VAL A CG1 707 C CG2 . VAL A 105 ? 0.4220 0.3068 0.3321 -0.0752 -0.0066 0.0292 123 VAL A CG2 708 N N . GLY A 106 ? 0.3491 0.3365 0.3130 -0.0724 0.0170 0.0374 124 GLY A N 709 C CA . GLY A 106 ? 0.3179 0.3294 0.3055 -0.0597 0.0206 0.0336 124 GLY A CA 710 C C . GLY A 106 ? 0.3532 0.3553 0.3228 -0.0447 0.0349 0.0238 124 GLY A C 711 O O . GLY A 106 ? 0.3173 0.3164 0.2897 -0.0338 0.0322 0.0156 124 GLY A O 712 N N . SER A 107 ? 0.3355 0.3301 0.2814 -0.0477 0.0505 0.0242 125 SER A N 713 C CA . SER A 107 ? 0.3550 0.3355 0.2704 -0.0411 0.0642 0.0110 125 SER A CA 714 C C . SER A 107 ? 0.3383 0.2984 0.2227 -0.0406 0.0442 0.0033 125 SER A C 715 O O . SER A 107 ? 0.3613 0.3119 0.2305 -0.0372 0.0478 -0.0103 125 SER A O 716 C CB . SER A 107 ? 0.4006 0.3782 0.2871 -0.0492 0.0865 0.0127 125 SER A CB 717 O OG . SER A 107 ? 0.3846 0.3521 0.2417 -0.0613 0.0744 0.0250 125 SER A OG 718 N N . LEU A 108 ? 0.3316 0.2844 0.2105 -0.0445 0.0255 0.0126 126 LEU A N 719 C CA . LEU A 108 ? 0.3773 0.3195 0.2422 -0.0410 0.0077 0.0108 126 LEU A CA 720 C C . LEU A 108 ? 0.3536 0.2987 0.2408 -0.0325 0.0016 0.0010 126 LEU A C 721 O O . LEU A 108 ? 0.3190 0.2625 0.1988 -0.0302 -0.0030 -0.0068 126 LEU A O 722 C CB . LEU A 108 ? 0.3883 0.3188 0.2521 -0.0422 -0.0043 0.0258 126 LEU A CB 723 C CG . LEU A 108 ? 0.4049 0.3317 0.2661 -0.0350 -0.0200 0.0305 126 LEU A CG 724 C CD1 . LEU A 108 ? 0.3641 0.3002 0.1955 -0.0415 -0.0266 0.0341 126 LEU A CD1 725 C CD2 . LEU A 108 ? 0.4201 0.3287 0.2913 -0.0309 -0.0245 0.0464 126 LEU A CD2 726 N N . VAL A 109 ? 0.3276 0.2786 0.2397 -0.0316 0.0010 0.0028 127 VAL A N 727 C CA . VAL A 109 ? 0.3209 0.2767 0.2496 -0.0260 -0.0041 -0.0025 127 VAL A CA 728 C C . VAL A 109 ? 0.3297 0.2905 0.2659 -0.0195 0.0067 -0.0088 127 VAL A C 729 O O . VAL A 109 ? 0.2947 0.2497 0.2298 -0.0157 0.0035 -0.0150 127 VAL A O 730 C CB . VAL A 109 ? 0.2910 0.2565 0.2375 -0.0324 -0.0091 0.0030 127 VAL A CB 731 C CG1 . VAL A 109 ? 0.3164 0.2911 0.2751 -0.0284 -0.0147 0.0021 127 VAL A CG1 732 C CG2 . VAL A 109 ? 0.3108 0.2567 0.2436 -0.0404 -0.0159 0.0031 127 VAL A CG2 733 N N . LEU A 110 ? 0.3145 0.2828 0.2596 -0.0185 0.0233 -0.0072 128 LEU A N 734 C CA . LEU A 110 ? 0.3445 0.3089 0.3002 -0.0099 0.0415 -0.0139 128 LEU A CA 735 C C . LEU A 110 ? 0.3387 0.2783 0.2572 -0.0146 0.0455 -0.0308 128 LEU A C 736 O O . LEU A 110 ? 0.3466 0.2721 0.2681 -0.0111 0.0510 -0.0398 128 LEU A O 737 C CB . LEU A 110 ? 0.3562 0.3341 0.3322 -0.0063 0.0647 -0.0083 128 LEU A CB 738 C CG . LEU A 110 ? 0.4884 0.4675 0.4986 0.0091 0.0886 -0.0078 128 LEU A CG 739 C CD1 . LEU A 110 ? 0.4167 0.4164 0.4697 0.0175 0.0731 0.0091 128 LEU A CD1 740 C CD2 . LEU A 110 ? 0.4961 0.4929 0.5299 0.0133 0.1163 -0.0009 128 LEU A CD2 741 N N . SER A 111 ? 0.3006 0.3528 0.2097 -0.0564 0.0346 0.0230 129 SER A N 742 C CA . SER A 111 ? 0.3416 0.3975 0.2245 -0.0585 0.0352 0.0189 129 SER A CA 743 C C . SER A 111 ? 0.3358 0.3788 0.2143 -0.0557 0.0231 0.0162 129 SER A C 744 O O . SER A 111 ? 0.3431 0.3844 0.2092 -0.0555 0.0226 0.0050 129 SER A O 745 C CB . SER A 111 ? 0.3787 0.4477 0.2472 -0.0659 0.0368 0.0343 129 SER A CB 746 O OG . SER A 111 ? 0.4403 0.5168 0.2818 -0.0707 0.0339 0.0327 129 SER A OG 747 N N . ASP A 112 ? 0.3203 0.3533 0.2104 -0.0542 0.0150 0.0251 130 ASP A N 748 C CA . ASP A 112 ? 0.3142 0.3356 0.2041 -0.0510 0.0063 0.0227 130 ASP A CA 749 C C . ASP A 112 ? 0.3088 0.3222 0.2022 -0.0473 0.0051 0.0090 130 ASP A C 750 O O . ASP A 112 ? 0.2964 0.3064 0.1824 -0.0461 0.0014 0.0035 130 ASP A O 751 C CB . ASP A 112 ? 0.3218 0.3312 0.2259 -0.0503 0.0025 0.0312 130 ASP A CB 752 C CG . ASP A 112 ? 0.3268 0.3401 0.2336 -0.0523 0.0025 0.0484 130 ASP A CG 753 O OD1 . ASP A 112 ? 0.3057 0.3345 0.1998 -0.0552 0.0026 0.0564 130 ASP A OD1 754 O OD2 . ASP A 112 ? 0.3376 0.3377 0.2598 -0.0519 0.0024 0.0542 130 ASP A OD2 755 N N . LEU A 113 ? 0.2948 0.3070 0.2021 -0.0461 0.0073 0.0061 131 LEU A N 756 C CA . LEU A 113 ? 0.2968 0.3038 0.2117 -0.0426 0.0053 -0.0019 131 LEU A CA 757 C C . LEU A 113 ? 0.3270 0.3355 0.2358 -0.0403 0.0113 -0.0119 131 LEU A C 758 O O . LEU A 113 ? 0.3060 0.3065 0.2130 -0.0386 0.0077 -0.0175 131 LEU A O 759 C CB . LEU A 113 ? 0.2804 0.2922 0.2153 -0.0427 0.0055 0.0011 131 LEU A CB 760 C CG . LEU A 113 ? 0.3074 0.3138 0.2468 -0.0478 -0.0026 0.0063 131 LEU A CG 761 C CD1 . LEU A 113 ? 0.2731 0.2902 0.2325 -0.0514 -0.0036 0.0115 131 LEU A CD1 762 C CD2 . LEU A 113 ? 0.3100 0.3061 0.2429 -0.0479 -0.0103 0.0027 131 LEU A CD2 763 N N . ASN A 114 ? 0.3299 0.3479 0.2351 -0.0416 0.0217 -0.0151 132 ASN A N 764 C CA . ASN A 114 ? 0.3540 0.3712 0.2503 -0.0417 0.0308 -0.0288 132 ASN A CA 765 C C . ASN A 114 ? 0.3710 0.3854 0.2442 -0.0471 0.0246 -0.0332 132 ASN A C 766 O O . ASN A 114 ? 0.3601 0.3657 0.2315 -0.0472 0.0252 -0.0443 132 ASN A O 767 C CB . ASN A 114 ? 0.3629 0.3920 0.2563 -0.0438 0.0459 -0.0328 132 ASN A CB 768 C CG . ASN A 114 ? 0.4341 0.4672 0.3586 -0.0371 0.0544 -0.0312 132 ASN A CG 769 O OD1 . ASN A 114 ? 0.4169 0.4425 0.3617 -0.0306 0.0553 -0.0354 132 ASN A OD1 770 N ND2 . ASN A 114 ? 0.4352 0.4818 0.3667 -0.0391 0.0599 -0.0225 132 ASN A ND2 771 N N . ALA A 115 ? 0.3393 0.3617 0.1993 -0.0518 0.0180 -0.0224 133 ALA A N 772 C CA . ALA A 115 ? 0.3502 0.3760 0.1929 -0.0576 0.0100 -0.0220 133 ALA A CA 773 C C . ALA A 115 ? 0.3364 0.3510 0.1896 -0.0537 0.0013 -0.0221 133 ALA A C 774 O O . ALA A 115 ? 0.3343 0.3467 0.1807 -0.0574 -0.0017 -0.0298 133 ALA A O 775 C CB . ALA A 115 ? 0.3510 0.3904 0.1856 -0.0618 0.0042 -0.0046 133 ALA A CB 776 N N . LEU A 116 ? 0.3047 0.3122 0.1734 -0.0479 -0.0019 -0.0144 134 LEU A N 777 C CA . LEU A 116 ? 0.3265 0.3244 0.2029 -0.0451 -0.0078 -0.0144 134 LEU A CA 778 C C . LEU A 116 ? 0.3461 0.3353 0.2281 -0.0434 -0.0059 -0.0245 134 LEU A C 779 O O . LEU A 116 ? 0.3153 0.2999 0.1972 -0.0445 -0.0097 -0.0268 134 LEU A O 780 C CB . LEU A 116 ? 0.3165 0.3084 0.2035 -0.0419 -0.0097 -0.0069 134 LEU A CB 781 C CG . LEU A 116 ? 0.3345 0.3296 0.2228 -0.0423 -0.0112 0.0043 134 LEU A CG 782 C CD1 . LEU A 116 ? 0.3231 0.3083 0.2213 -0.0412 -0.0098 0.0071 134 LEU A CD1 783 C CD2 . LEU A 116 ? 0.3379 0.3358 0.2268 -0.0418 -0.0157 0.0083 134 LEU A CD2 784 N N . GLN A 117 ? 0.3224 0.3098 0.2133 -0.0407 0.0006 -0.0287 135 GLN A N 785 C CA . GLN A 117 ? 0.3269 0.3051 0.2293 -0.0379 0.0033 -0.0353 135 GLN A CA 786 C C . GLN A 117 ? 0.3675 0.3415 0.2599 -0.0426 0.0074 -0.0481 135 GLN A C 787 O O . GLN A 117 ? 0.3358 0.3004 0.2332 -0.0434 0.0049 -0.0513 135 GLN A O 788 C CB . GLN A 117 ? 0.3633 0.3428 0.2851 -0.0326 0.0102 -0.0348 135 GLN A CB 789 C CG . GLN A 117 ? 0.3720 0.3415 0.3131 -0.0282 0.0126 -0.0373 135 GLN A CG 790 C CD . GLN A 117 ? 0.4357 0.4093 0.4051 -0.0214 0.0183 -0.0323 135 GLN A CD 791 O OE1 . GLN A 117 ? 0.3969 0.3814 0.3710 -0.0204 0.0236 -0.0306 135 GLN A OE1 792 N NE2 . GLN A 117 ? 0.5232 0.4898 0.5153 -0.0167 0.0173 -0.0274 135 GLN A NE2 793 N N . SER A 118 ? 0.3323 0.3136 0.2095 -0.0476 0.0138 -0.0556 136 SER A N 794 C CA . SER A 118 ? 0.3961 0.3748 0.2574 -0.0562 0.0172 -0.0703 136 SER A CA 795 C C . SER A 118 ? 0.4010 0.3824 0.2537 -0.0627 0.0047 -0.0663 136 SER A C 796 O O . SER A 118 ? 0.3984 0.3704 0.2524 -0.0675 0.0042 -0.0758 136 SER A O 797 C CB . SER A 118 ? 0.4152 0.4059 0.2548 -0.0633 0.0254 -0.0772 136 SER A CB 798 O OG . SER A 118 ? 0.5570 0.5469 0.3752 -0.0754 0.0272 -0.0928 136 SER A OG 799 N N . LYS A 119 ? 0.3605 0.3542 0.2095 -0.0625 -0.0045 -0.0515 137 LYS A N 800 C CA . LYS A 119 ? 0.3737 0.3741 0.2210 -0.0672 -0.0154 -0.0448 137 LYS A CA 801 C C . LYS A 119 ? 0.3551 0.3438 0.2194 -0.0625 -0.0178 -0.0430 137 LYS A C 802 O O . LYS A 119 ? 0.3378 0.3270 0.2032 -0.0685 -0.0225 -0.0453 137 LYS A O 803 C CB . LYS A 119 ? 0.3530 0.3688 0.1994 -0.0661 -0.0221 -0.0276 137 LYS A CB 804 C CG . LYS A 119 ? 0.4013 0.4333 0.2279 -0.0742 -0.0224 -0.0255 137 LYS A CG 805 C CD . LYS A 119 ? 0.3692 0.4147 0.2006 -0.0717 -0.0279 -0.0046 137 LYS A CD 806 C CE . LYS A 119 ? 0.4062 0.4699 0.2158 -0.0812 -0.0282 0.0002 137 LYS A CE 807 N NZ . LYS A 119 ? 0.4046 0.4846 0.1926 -0.0962 -0.0359 -0.0044 137 LYS A NZ 808 N N . THR A 120 ? 0.3283 0.3087 0.2047 -0.0539 -0.0150 -0.0382 138 THR A N 809 C CA . THR A 120 ? 0.3502 0.3214 0.2388 -0.0508 -0.0168 -0.0347 138 THR A CA 810 C C . THR A 120 ? 0.3633 0.3224 0.2589 -0.0532 -0.0134 -0.0440 138 THR A C 811 O O . THR A 120 ? 0.3292 0.2842 0.2306 -0.0562 -0.0163 -0.0426 138 THR A O 812 C CB . THR A 120 ? 0.3466 0.3145 0.2424 -0.0443 -0.0159 -0.0276 138 THR A CB 813 O OG1 . THR A 120 ? 0.3370 0.3115 0.2285 -0.0431 -0.0175 -0.0208 138 THR A OG1 814 C CG2 . THR A 120 ? 0.3445 0.3057 0.2479 -0.0436 -0.0181 -0.0229 138 THR A CG2 815 N N . ASP A 121 ? 0.3306 0.2836 0.2279 -0.0520 -0.0056 -0.0535 139 ASP A N 816 C CA . ASP A 121 ? 0.3555 0.2931 0.2637 -0.0536 0.0006 -0.0639 139 ASP A CA 817 C C . ASP A 121 ? 0.3653 0.3011 0.2625 -0.0656 -0.0013 -0.0753 139 ASP A C 818 O O . ASP A 121 ? 0.3645 0.2875 0.2733 -0.0688 -0.0010 -0.0782 139 ASP A O 819 C CB . ASP A 121 ? 0.3828 0.3146 0.2985 -0.0489 0.0129 -0.0732 139 ASP A CB 820 C CG . ASP A 121 ? 0.4398 0.3735 0.3755 -0.0383 0.0132 -0.0600 139 ASP A CG 821 O OD1 . ASP A 121 ? 0.4204 0.3564 0.3611 -0.0364 0.0039 -0.0460 139 ASP A OD1 822 O OD2 . ASP A 121 ? 0.4430 0.3773 0.3896 -0.0331 0.0230 -0.0637 139 ASP A OD2 823 N N . ALA A 122 ? 0.3593 0.3093 0.2351 -0.0735 -0.0045 -0.0796 140 ALA A N 824 C CA . ALA A 122 ? 0.3956 0.3503 0.2586 -0.0880 -0.0098 -0.0884 140 ALA A CA 825 C C . ALA A 122 ? 0.3821 0.3425 0.2562 -0.0899 -0.0203 -0.0759 140 ALA A C 826 O O . ALA A 122 ? 0.3996 0.3546 0.2777 -0.0997 -0.0227 -0.0825 140 ALA A O 827 C CB . ALA A 122 ? 0.4054 0.3804 0.2426 -0.0969 -0.0138 -0.0899 140 ALA A CB 828 N N . LEU A 123 ? 0.3379 0.3089 0.2180 -0.0813 -0.0250 -0.0591 141 LEU A N 829 C CA . LEU A 123 ? 0.3467 0.3239 0.2392 -0.0812 -0.0310 -0.0472 141 LEU A CA 830 C C . LEU A 123 ? 0.3647 0.3249 0.2721 -0.0798 -0.0273 -0.0476 141 LEU A C 831 O O . LEU A 123 ? 0.3573 0.3183 0.2731 -0.0873 -0.0305 -0.0464 141 LEU A O 832 C CB . LEU A 123 ? 0.2863 0.2730 0.1825 -0.0714 -0.0320 -0.0327 141 LEU A CB 833 C CG . LEU A 123 ? 0.3273 0.3191 0.2373 -0.0693 -0.0332 -0.0218 141 LEU A CG 834 C CD1 . LEU A 123 ? 0.2844 0.2918 0.2016 -0.0792 -0.0402 -0.0191 141 LEU A CD1 835 C CD2 . LEU A 123 ? 0.3019 0.2985 0.2142 -0.0601 -0.0304 -0.0123 141 LEU A CD2 836 N N . SER A 124 ? 0.3194 0.2665 0.2325 -0.0711 -0.0213 -0.0467 142 SER A N 837 C CA . SER A 124 ? 0.3595 0.2919 0.2888 -0.0692 -0.0186 -0.0423 142 SER A CA 838 C C . SER A 124 ? 0.3669 0.2848 0.3040 -0.0782 -0.0157 -0.0543 142 SER A C 839 O O . SER A 124 ? 0.3530 0.2649 0.3026 -0.0830 -0.0171 -0.0492 142 SER A O 840 C CB . SER A 124 ? 0.3500 0.2748 0.2869 -0.0593 -0.0145 -0.0374 142 SER A CB 841 O OG . SER A 124 ? 0.3699 0.2830 0.3248 -0.0580 -0.0135 -0.0289 142 SER A OG 842 N N . GLY A 125 ? 0.3728 0.2844 0.3018 -0.0819 -0.0105 -0.0713 143 GLY A N 843 C CA . GLY A 125 ? 0.4297 0.3248 0.3621 -0.0933 -0.0059 -0.0885 143 GLY A CA 844 C C . GLY A 125 ? 0.4311 0.3359 0.3591 -0.1082 -0.0151 -0.0894 143 GLY A C 845 O O . GLY A 125 ? 0.4258 0.3160 0.3677 -0.1166 -0.0138 -0.0937 143 GLY A O 846 N N . ALA A 126 ? 0.4170 0.3473 0.3297 -0.1118 -0.0244 -0.0837 144 ALA A N 847 C CA . ALA A 126 ? 0.4478 0.3949 0.3606 -0.1257 -0.0350 -0.0807 144 ALA A CA 848 C C . ALA A 126 ? 0.4197 0.3685 0.3548 -0.1229 -0.0370 -0.0642 144 ALA A C 849 O O . ALA A 126 ? 0.4154 0.3648 0.3610 -0.1356 -0.0409 -0.0653 144 ALA A O 850 C CB . ALA A 126 ? 0.4453 0.4218 0.3434 -0.1274 -0.0444 -0.0731 144 ALA A CB 851 N N . LEU A 127 ? 0.3694 0.3192 0.3103 -0.1082 -0.0338 -0.0496 145 LEU A N 852 C CA . LEU A 127 ? 0.3554 0.3067 0.3127 -0.1060 -0.0329 -0.0345 145 LEU A CA 853 C C . LEU A 127 ? 0.3970 0.3245 0.3695 -0.1088 -0.0278 -0.0352 145 LEU A C 854 O O . LEU A 127 ? 0.3976 0.3254 0.3846 -0.1162 -0.0286 -0.0277 145 LEU A O 855 C CB . LEU A 127 ? 0.3487 0.3070 0.3024 -0.0924 -0.0300 -0.0217 145 LEU A CB 856 C CG . LEU A 127 ? 0.3655 0.3442 0.3109 -0.0883 -0.0331 -0.0185 145 LEU A CG 857 C CD1 . LEU A 127 ? 0.3530 0.3325 0.2940 -0.0767 -0.0281 -0.0104 145 LEU A CD1 858 C CD2 . LEU A 127 ? 0.3684 0.3682 0.3257 -0.0957 -0.0381 -0.0120 145 LEU A CD2 859 N N . GLN A 128 ? 0.3768 0.2841 0.3500 -0.1028 -0.0219 -0.0426 146 GLN A N 860 C CA . GLN A 128 ? 0.4132 0.2958 0.4072 -0.1042 -0.0162 -0.0417 146 GLN A CA 861 C C . GLN A 128 ? 0.4384 0.3100 0.4407 -0.1208 -0.0164 -0.0549 146 GLN A C 862 O O . GLN A 128 ? 0.4714 0.3291 0.4945 -0.1260 -0.0143 -0.0479 146 GLN A O 863 C CB . GLN A 128 ? 0.4146 0.2790 0.4136 -0.0946 -0.0082 -0.0493 146 GLN A CB 864 C CG . GLN A 128 ? 0.3885 0.2601 0.3881 -0.0801 -0.0087 -0.0327 146 GLN A CG 865 C CD . GLN A 128 ? 0.4611 0.3195 0.4707 -0.0706 -0.0008 -0.0393 146 GLN A CD 866 O OE1 . GLN A 128 ? 0.4475 0.2836 0.4798 -0.0703 0.0071 -0.0443 146 GLN A OE1 867 N NE2 . GLN A 128 ? 0.3944 0.2660 0.3907 -0.0628 -0.0016 -0.0393 146 GLN A NE2 868 N N . ASP A 129 ? 0.4508 0.3290 0.4358 -0.1308 -0.0192 -0.0735 147 ASP A N 869 C CA A ASP A 129 ? 0.4956 0.3635 0.4833 -0.1503 -0.0202 -0.0907 147 ASP A CA 870 C CA B ASP A 129 ? 0.4875 0.3566 0.4745 -0.1504 -0.0206 -0.0906 147 ASP A CA 871 C C . ASP A 129 ? 0.4839 0.3673 0.4846 -0.1622 -0.0289 -0.0782 147 ASP A C 872 O O . ASP A 129 ? 0.5348 0.4031 0.5495 -0.1776 -0.0283 -0.0862 147 ASP A O 873 C CB A ASP A 129 ? 0.5106 0.3875 0.4704 -0.1611 -0.0231 -0.1126 147 ASP A CB 874 C CB B ASP A 129 ? 0.4961 0.3785 0.4549 -0.1607 -0.0250 -0.1096 147 ASP A CB 875 C CG A ASP A 129 ? 0.5672 0.4188 0.5196 -0.1569 -0.0092 -0.1340 147 ASP A CG 876 C CG B ASP A 129 ? 0.5395 0.4061 0.4944 -0.1824 -0.0237 -0.1341 147 ASP A CG 877 O OD1 A ASP A 129 ? 0.6040 0.4279 0.5797 -0.1474 0.0025 -0.1335 147 ASP A OD1 878 O OD1 B ASP A 129 ? 0.5791 0.4132 0.5542 -0.1838 -0.0132 -0.1419 147 ASP A OD1 879 O OD2 A ASP A 129 ? 0.5535 0.4142 0.4785 -0.1635 -0.0092 -0.1502 147 ASP A OD2 880 O OD2 B ASP A 129 ? 0.6230 0.5093 0.5557 -0.1990 -0.0331 -0.1447 147 ASP A OD2 881 N N . ILE A 130 ? 0.4513 0.3634 0.4503 -0.1557 -0.0352 -0.0594 148 ILE A N 882 C CA . ILE A 130 ? 0.4548 0.3868 0.4694 -0.1654 -0.0414 -0.0460 148 ILE A CA 883 C C . ILE A 130 ? 0.4583 0.3890 0.4900 -0.1565 -0.0355 -0.0241 148 ILE A C 884 O O . ILE A 130 ? 0.4129 0.3582 0.4608 -0.1644 -0.0373 -0.0121 148 ILE A O 885 C CB . ILE A 130 ? 0.4500 0.4192 0.4565 -0.1671 -0.0514 -0.0400 148 ILE A CB 886 C CG1 . ILE A 130 ? 0.4209 0.4009 0.4166 -0.1473 -0.0482 -0.0297 148 ILE A CG1 887 C CG2 . ILE A 130 ? 0.4329 0.4089 0.4223 -0.1826 -0.0604 -0.0583 148 ILE A CG2 888 C CD1 . ILE A 130 ? 0.3952 0.4093 0.3917 -0.1463 -0.0558 -0.0199 148 ILE A CD1 889 N N . ALA A 131 ? 0.4052 0.3214 0.4331 -0.1415 -0.0288 -0.0180 149 ALA A N 890 C CA . ALA A 131 ? 0.4113 0.3267 0.4496 -0.1352 -0.0239 0.0030 149 ALA A CA 891 C C . ALA A 131 ? 0.4179 0.3106 0.4799 -0.1444 -0.0205 0.0081 149 ALA A C 892 O O . ALA A 131 ? 0.4661 0.3363 0.5368 -0.1527 -0.0197 -0.0080 149 ALA A O 893 C CB . ALA A 131 ? 0.3414 0.2515 0.3673 -0.1189 -0.0206 0.0088 149 ALA A CB 894 N N . THR A 132 ? 0.4290 0.3267 0.5013 -0.1439 -0.0174 0.0301 150 THR A N 895 C CA . THR A 132 ? 0.4616 0.3371 0.5583 -0.1502 -0.0138 0.0417 150 THR A CA 896 C C . THR A 132 ? 0.4935 0.3433 0.5953 -0.1388 -0.0107 0.0418 150 THR A C 897 O O . THR A 132 ? 0.4568 0.3126 0.5413 -0.1258 -0.0115 0.0397 150 THR A O 898 C CB . THR A 132 ? 0.4734 0.3640 0.5757 -0.1519 -0.0106 0.0690 150 THR A CB 899 O OG1 . THR A 132 ? 0.4535 0.3545 0.5356 -0.1389 -0.0095 0.0811 150 THR A OG1 900 C CG2 . THR A 132 ? 0.4711 0.3898 0.5747 -0.1615 -0.0109 0.0703 150 THR A CG2 901 N N . ALA A 133 ? 0.5022 0.3239 0.6321 -0.1438 -0.0066 0.0455 151 ALA A N 902 C CA . ALA A 133 ? 0.5369 0.3324 0.6830 -0.1327 -0.0018 0.0467 151 ALA A CA 903 C C . ALA A 133 ? 0.5415 0.3511 0.6800 -0.1181 -0.0045 0.0704 151 ALA A C 904 O O . ALA A 133 ? 0.5436 0.3488 0.6799 -0.1058 -0.0037 0.0651 151 ALA A O 905 C CB . ALA A 133 ? 0.5794 0.3427 0.7646 -0.1404 0.0043 0.0541 151 ALA A CB 906 N N . THR A 134 ? 0.5138 0.3422 0.6470 -0.1212 -0.0075 0.0961 152 THR A N 907 C CA . THR A 134 ? 0.5202 0.3653 0.6403 -0.1120 -0.0115 0.1188 152 THR A CA 908 C C . THR A 134 ? 0.4737 0.3403 0.5590 -0.1048 -0.0146 0.1052 152 THR A C 909 O O . THR A 134 ? 0.4530 0.3229 0.5323 -0.0948 -0.0178 0.1095 152 THR A O 910 C CB . THR A 134 ? 0.5183 0.3797 0.6352 -0.1205 -0.0123 0.1477 152 THR A CB 911 O OG1 . THR A 134 ? 0.6159 0.4561 0.7689 -0.1266 -0.0099 0.1650 152 THR A OG1 912 C CG2 . THR A 134 ? 0.6245 0.5056 0.7207 -0.1147 -0.0177 0.1692 152 THR A CG2 913 N N . ASP A 135 ? 0.4442 0.3260 0.5106 -0.1101 -0.0137 0.0905 153 ASP A N 914 C CA . ASP A 135 ? 0.4340 0.3330 0.4721 -0.1033 -0.0153 0.0776 153 ASP A CA 915 C C . ASP A 135 ? 0.4342 0.3212 0.4725 -0.0952 -0.0162 0.0581 153 ASP A C 916 O O . ASP A 135 ? 0.3911 0.2873 0.4121 -0.0871 -0.0182 0.0547 153 ASP A O 917 C CB . ASP A 135 ? 0.4197 0.3368 0.4467 -0.1094 -0.0135 0.0679 153 ASP A CB 918 C CG . ASP A 135 ? 0.4720 0.4074 0.4921 -0.1148 -0.0091 0.0853 153 ASP A CG 919 O OD1 . ASP A 135 ? 0.4691 0.4073 0.4810 -0.1140 -0.0088 0.1033 153 ASP A OD1 920 O OD2 . ASP A 135 ? 0.4654 0.4149 0.4886 -0.1207 -0.0056 0.0816 153 ASP A OD2 921 N N . LYS A 136 ? 0.4555 0.3216 0.5122 -0.0987 -0.0135 0.0443 154 LYS A N 922 C CA . LYS A 136 ? 0.4594 0.3135 0.5156 -0.0922 -0.0111 0.0244 154 LYS A CA 923 C C . LYS A 136 ? 0.4330 0.2830 0.4985 -0.0795 -0.0107 0.0369 154 LYS A C 924 O O . LYS A 136 ? 0.4140 0.2712 0.4670 -0.0717 -0.0111 0.0288 154 LYS A O 925 C CB . LYS A 136 ? 0.5207 0.3494 0.5954 -0.1002 -0.0054 0.0064 154 LYS A CB 926 C CG . LYS A 136 ? 0.5863 0.4000 0.6612 -0.0939 0.0013 -0.0153 154 LYS A CG 927 C CD . LYS A 136 ? 0.7512 0.5416 0.8339 -0.1065 0.0080 -0.0404 154 LYS A CD 928 C CE . LYS A 136 ? 0.8064 0.5851 0.8812 -0.1028 0.0172 -0.0663 154 LYS A CE 929 N NZ . LYS A 136 ? 0.8433 0.6104 0.9405 -0.0856 0.0257 -0.0580 154 LYS A NZ 930 N N . ASP A 137 ? 0.4496 0.2906 0.5392 -0.0783 -0.0108 0.0593 155 ASP A N 931 C CA . ASP A 137 ? 0.4841 0.3259 0.5886 -0.0671 -0.0129 0.0770 155 ASP A CA 932 C C . ASP A 137 ? 0.4529 0.3224 0.5278 -0.0647 -0.0211 0.0864 155 ASP A C 933 O O . ASP A 137 ? 0.4134 0.2892 0.4889 -0.0561 -0.0233 0.0872 155 ASP A O 934 C CB . ASP A 137 ? 0.5264 0.3574 0.6639 -0.0678 -0.0137 0.1054 155 ASP A CB 935 C CG . ASP A 137 ? 0.5926 0.3896 0.7673 -0.0687 -0.0033 0.0954 155 ASP A CG 936 O OD1 . ASP A 137 ? 0.6210 0.4020 0.7992 -0.0655 0.0053 0.0676 155 ASP A OD1 937 O OD2 . ASP A 137 ? 0.6028 0.3880 0.8024 -0.0738 -0.0028 0.1151 155 ASP A OD2 938 N N . THR A 138 ? 0.4299 0.3157 0.4801 -0.0729 -0.0240 0.0919 156 THR A N 939 C CA . THR A 138 ? 0.4209 0.3297 0.4404 -0.0730 -0.0291 0.0968 156 THR A CA 940 C C . THR A 138 ? 0.3810 0.2941 0.3831 -0.0677 -0.0279 0.0739 156 THR A C 941 O O . THR A 138 ? 0.3664 0.2895 0.3578 -0.0635 -0.0320 0.0759 156 THR A O 942 C CB . THR A 138 ? 0.4329 0.3557 0.4317 -0.0831 -0.0277 0.1041 156 THR A CB 943 O OG1 . THR A 138 ? 0.4602 0.3807 0.4744 -0.0889 -0.0290 0.1289 156 THR A OG1 944 C CG2 . THR A 138 ? 0.4253 0.3678 0.3914 -0.0846 -0.0298 0.1052 156 THR A CG2 945 N N . ILE A 139 ? 0.3419 0.2491 0.3424 -0.0694 -0.0233 0.0539 157 ILE A N 946 C CA . ILE A 139 ? 0.3625 0.2746 0.3478 -0.0655 -0.0223 0.0350 157 ILE A CA 947 C C . ILE A 139 ? 0.3713 0.2750 0.3684 -0.0571 -0.0212 0.0297 157 ILE A C 948 O O . ILE A 139 ? 0.3520 0.2649 0.3375 -0.0524 -0.0227 0.0262 157 ILE A O 949 C CB . ILE A 139 ? 0.3502 0.2607 0.3329 -0.0712 -0.0198 0.0183 157 ILE A CB 950 C CG1 . ILE A 139 ? 0.3424 0.2669 0.3168 -0.0778 -0.0199 0.0242 157 ILE A CG1 951 C CG2 . ILE A 139 ? 0.3432 0.2587 0.3124 -0.0675 -0.0196 0.0022 157 ILE A CG2 952 C CD1 . ILE A 139 ? 0.3848 0.3110 0.3654 -0.0861 -0.0198 0.0138 157 ILE A CD1 953 N N . ALA A 140 ? 0.3934 0.2789 0.4169 -0.0554 -0.0168 0.0292 158 ALA A N 954 C CA . ALA A 140 ? 0.4046 0.2813 0.4464 -0.0463 -0.0119 0.0241 158 ALA A CA 955 C C . ALA A 140 ? 0.4001 0.2904 0.4484 -0.0394 -0.0183 0.0439 158 ALA A C 956 O O . ALA A 140 ? 0.3747 0.2710 0.4240 -0.0331 -0.0168 0.0385 158 ALA A O 957 C CB . ALA A 140 ? 0.4363 0.2876 0.5111 -0.0455 -0.0032 0.0209 158 ALA A CB 958 N N . SER A 141 ? 0.4129 0.3101 0.4658 -0.0424 -0.0257 0.0679 159 SER A N 959 C CA . SER A 141 ? 0.4144 0.3290 0.4706 -0.0397 -0.0350 0.0891 159 SER A CA 960 C C . SER A 141 ? 0.3943 0.3267 0.4166 -0.0429 -0.0397 0.0811 159 SER A C 961 O O . SER A 141 ? 0.4139 0.3562 0.4406 -0.0386 -0.0431 0.0829 159 SER A O 962 C CB . SER A 141 ? 0.4446 0.3658 0.5061 -0.0456 -0.0430 0.1175 159 SER A CB 963 O OG . SER A 141 ? 0.5305 0.4325 0.6286 -0.0424 -0.0380 0.1268 159 SER A OG 964 N N . GLY A 142 ? 0.3910 0.3266 0.3837 -0.0501 -0.0387 0.0718 160 GLY A N 965 C CA . GLY A 142 ? 0.3925 0.3398 0.3563 -0.0527 -0.0400 0.0614 160 GLY A CA 966 C C . GLY A 142 ? 0.3955 0.3398 0.3611 -0.0462 -0.0356 0.0440 160 GLY A C 967 O O . GLY A 142 ? 0.3480 0.3017 0.3029 -0.0461 -0.0384 0.0418 160 GLY A O 968 N N . THR A 143 ? 0.3384 0.2699 0.3163 -0.0427 -0.0285 0.0315 161 THR A N 969 C CA . THR A 143 ? 0.3466 0.2766 0.3230 -0.0384 -0.0230 0.0153 161 THR A CA 970 C C . THR A 143 ? 0.3336 0.2662 0.3312 -0.0311 -0.0220 0.0205 161 THR A C 971 O O . THR A 143 ? 0.3499 0.2890 0.3418 -0.0287 -0.0198 0.0129 161 THR A O 972 C CB . THR A 143 ? 0.3491 0.2663 0.3279 -0.0401 -0.0156 -0.0012 161 THR A CB 973 O OG1 . THR A 143 ? 0.3678 0.2874 0.3320 -0.0474 -0.0180 -0.0031 161 THR A OG1 974 C CG2 . THR A 143 ? 0.3390 0.2584 0.3091 -0.0382 -0.0101 -0.0171 161 THR A CG2 975 N N . GLN A 144 ? 0.3334 0.2621 0.3588 -0.0274 -0.0232 0.0353 162 GLN A N 976 C CA . GLN A 144 ? 0.3338 0.2696 0.3870 -0.0196 -0.0232 0.0454 162 GLN A CA 977 C C . GLN A 144 ? 0.3527 0.3099 0.3913 -0.0236 -0.0342 0.0552 162 GLN A C 978 O O . GLN A 144 ? 0.3438 0.3105 0.3932 -0.0196 -0.0329 0.0543 162 GLN A O 979 C CB . GLN A 144 ? 0.3768 0.3084 0.4666 -0.0151 -0.0253 0.0666 162 GLN A CB 980 C CG . GLN A 144 ? 0.4713 0.3786 0.5887 -0.0094 -0.0118 0.0574 162 GLN A CG 981 C CD . GLN A 144 ? 0.5580 0.4613 0.7166 -0.0043 -0.0146 0.0835 162 GLN A CD 982 O OE1 . GLN A 144 ? 0.6394 0.5329 0.7998 -0.0092 -0.0174 0.0930 162 GLN A OE1 983 N NE2 . GLN A 144 ? 0.5090 0.4226 0.7039 0.0054 -0.0146 0.0984 162 GLN A NE2 984 N N . ASP A 145 ? 0.3394 0.3038 0.3532 -0.0327 -0.0436 0.0631 163 ASP A N 985 C CA . ASP A 145 ? 0.3532 0.3350 0.3490 -0.0398 -0.0534 0.0689 163 ASP A CA 986 C C . ASP A 145 ? 0.3399 0.3208 0.3148 -0.0408 -0.0483 0.0498 163 ASP A C 987 O O . ASP A 145 ? 0.3351 0.3271 0.3100 -0.0429 -0.0522 0.0509 163 ASP A O 988 C CB . ASP A 145 ? 0.3647 0.3526 0.3351 -0.0510 -0.0615 0.0786 163 ASP A CB 989 C CG . ASP A 145 ? 0.4321 0.4256 0.4215 -0.0522 -0.0693 0.1037 163 ASP A CG 990 O OD1 . ASP A 145 ? 0.4037 0.4020 0.4292 -0.0450 -0.0724 0.1185 163 ASP A OD1 991 O OD2 . ASP A 145 ? 0.4757 0.4698 0.4455 -0.0604 -0.0714 0.1101 163 ASP A OD2 992 N N . ILE A 146 ? 0.3220 0.2912 0.2817 -0.0404 -0.0404 0.0346 164 ILE A N 993 C CA . ILE A 146 ? 0.3208 0.2893 0.2650 -0.0404 -0.0355 0.0200 164 ILE A CA 994 C C . ILE A 146 ? 0.3165 0.2869 0.2776 -0.0340 -0.0299 0.0151 164 ILE A C 995 O O . ILE A 146 ? 0.3040 0.2817 0.2608 -0.0353 -0.0303 0.0131 164 ILE A O 996 C CB . ILE A 146 ? 0.3243 0.2842 0.2547 -0.0412 -0.0299 0.0091 164 ILE A CB 997 C CG1 . ILE A 146 ? 0.3873 0.3480 0.3011 -0.0475 -0.0323 0.0128 164 ILE A CG1 998 C CG2 . ILE A 146 ? 0.3328 0.2938 0.2535 -0.0401 -0.0255 -0.0018 164 ILE A CG2 999 C CD1 . ILE A 146 ? 0.4051 0.3611 0.3139 -0.0479 -0.0273 0.0058 164 ILE A CD1 1000 N N . ASP A 147 ? 0.3145 0.2777 0.2955 -0.0278 -0.0232 0.0127 165 ASP A N 1001 C CA . ASP A 147 ? 0.3085 0.2735 0.3071 -0.0215 -0.0140 0.0068 165 ASP A CA 1002 C C . ASP A 147 ? 0.2927 0.2733 0.3127 -0.0193 -0.0188 0.0204 165 ASP A C 1003 O O . ASP A 147 ? 0.2754 0.2642 0.2988 -0.0181 -0.0140 0.0164 165 ASP A O 1004 C CB . ASP A 147 ? 0.3313 0.2823 0.3500 -0.0158 -0.0034 -0.0001 165 ASP A CB 1005 C CG . ASP A 147 ? 0.4088 0.3479 0.4062 -0.0204 0.0024 -0.0176 165 ASP A CG 1006 O OD1 . ASP A 147 ? 0.3940 0.3391 0.3658 -0.0252 0.0006 -0.0241 165 ASP A OD1 1007 O OD2 . ASP A 147 ? 0.4163 0.3405 0.4244 -0.0201 0.0081 -0.0235 165 ASP A OD2 1008 N N . ALA A 148 ? 0.2833 0.2706 0.3175 -0.0204 -0.0291 0.0381 166 ALA A N 1009 C CA . ALA A 148 ? 0.3018 0.3087 0.3576 -0.0208 -0.0374 0.0544 166 ALA A CA 1010 C C . ALA A 148 ? 0.2936 0.3112 0.3256 -0.0306 -0.0444 0.0514 166 ALA A C 1011 O O . ALA A 148 ? 0.2907 0.3230 0.3393 -0.0309 -0.0457 0.0563 166 ALA A O 1012 C CB . ALA A 148 ? 0.2961 0.3109 0.3666 -0.0230 -0.0501 0.0769 166 ALA A CB 1013 N N . ALA A 149 ? 0.2812 0.2909 0.2782 -0.0386 -0.0475 0.0433 167 ALA A N 1014 C CA . ALA A 149 ? 0.3086 0.3224 0.2840 -0.0481 -0.0514 0.0379 167 ALA A CA 1015 C C . ALA A 149 ? 0.3082 0.3186 0.2840 -0.0440 -0.0408 0.0263 167 ALA A C 1016 O O . ALA A 149 ? 0.3111 0.3306 0.2914 -0.0483 -0.0425 0.0276 167 ALA A O 1017 C CB . ALA A 149 ? 0.2925 0.2964 0.2352 -0.0559 -0.0534 0.0313 167 ALA A CB 1018 N N . PHE A 150 ? 0.2991 0.2981 0.2699 -0.0374 -0.0305 0.0160 168 PHE A N 1019 C CA . PHE A 150 ? 0.3078 0.3071 0.2782 -0.0344 -0.0204 0.0076 168 PHE A CA 1020 C C . PHE A 150 ? 0.3071 0.3194 0.3055 -0.0302 -0.0157 0.0128 168 PHE A C 1021 O O . PHE A 150 ? 0.3076 0.3277 0.3074 -0.0327 -0.0125 0.0127 168 PHE A O 1022 C CB . PHE A 150 ? 0.3108 0.2996 0.2720 -0.0301 -0.0114 -0.0034 168 PHE A CB 1023 C CG . PHE A 150 ? 0.3265 0.3088 0.2634 -0.0341 -0.0131 -0.0084 168 PHE A CG 1024 C CD1 . PHE A 150 ? 0.3159 0.3010 0.2427 -0.0367 -0.0114 -0.0091 168 PHE A CD1 1025 C CD2 . PHE A 150 ? 0.3729 0.3472 0.3015 -0.0348 -0.0157 -0.0103 168 PHE A CD2 1026 C CE1 . PHE A 150 ? 0.3524 0.3328 0.2642 -0.0387 -0.0126 -0.0105 168 PHE A CE1 1027 C CE2 . PHE A 150 ? 0.4038 0.3752 0.3164 -0.0375 -0.0166 -0.0130 168 PHE A CE2 1028 C CZ . PHE A 150 ? 0.3823 0.3569 0.2881 -0.0387 -0.0151 -0.0126 168 PHE A CZ 1029 N N . SER A 151 ? 0.2616 0.2762 0.2859 -0.0235 -0.0139 0.0186 169 SER A N 1030 C CA . SER A 151 ? 0.2808 0.3087 0.3393 -0.0172 -0.0063 0.0240 169 SER A CA 1031 C C . SER A 151 ? 0.2979 0.3458 0.3697 -0.0237 -0.0172 0.0377 169 SER A C 1032 O O . SER A 151 ? 0.2603 0.3211 0.3496 -0.0226 -0.0102 0.0392 169 SER A O 1033 C CB . SER A 151 ? 0.3100 0.3352 0.4011 -0.0077 -0.0023 0.0303 169 SER A CB 1034 O OG . SER A 151 ? 0.3407 0.3463 0.4223 -0.0031 0.0107 0.0142 169 SER A OG 1035 N N . SER A 152 ? 0.2771 0.3283 0.3387 -0.0324 -0.0338 0.0469 170 SER A N 1036 C CA . SER A 152 ? 0.2894 0.3583 0.3552 -0.0437 -0.0469 0.0572 170 SER A CA 1037 C C . SER A 152 ? 0.2723 0.3379 0.3197 -0.0510 -0.0428 0.0471 170 SER A C 1038 O O . SER A 152 ? 0.2800 0.3612 0.3468 -0.0544 -0.0426 0.0526 170 SER A O 1039 C CB . SER A 152 ? 0.2912 0.3605 0.3372 -0.0545 -0.0635 0.0640 170 SER A CB 1040 O OG . SER A 152 ? 0.3231 0.4087 0.3671 -0.0693 -0.0772 0.0711 170 SER A OG 1041 N N . ALA A 153 ? 0.2824 0.3287 0.2968 -0.0531 -0.0392 0.0342 171 ALA A N 1042 C CA . ALA A 153 ? 0.3083 0.3487 0.3086 -0.0589 -0.0347 0.0272 171 ALA A CA 1043 C C . ALA A 153 ? 0.3019 0.3495 0.3174 -0.0526 -0.0213 0.0267 171 ALA A C 1044 O O . ALA A 153 ? 0.2909 0.3460 0.3135 -0.0586 -0.0199 0.0299 171 ALA A O 1045 C CB . ALA A 153 ? 0.2818 0.3016 0.2515 -0.0596 -0.0320 0.0166 171 ALA A CB 1046 N N . ILE A 154 ? 0.2960 0.3414 0.3163 -0.0418 -0.0106 0.0223 172 ILE A N 1047 C CA . ILE A 154 ? 0.3006 0.3533 0.3312 -0.0366 0.0050 0.0194 172 ILE A CA 1048 C C . ILE A 154 ? 0.3001 0.3746 0.3675 -0.0361 0.0073 0.0299 172 ILE A C 1049 O O . ILE A 154 ? 0.2775 0.3626 0.3519 -0.0387 0.0158 0.0319 172 ILE A O 1050 C CB . ILE A 154 ? 0.2764 0.3199 0.3028 -0.0274 0.0168 0.0087 172 ILE A CB 1051 C CG1 . ILE A 154 ? 0.3532 0.3810 0.3445 -0.0301 0.0150 -0.0003 172 ILE A CG1 1052 C CG2 . ILE A 154 ? 0.3310 0.3841 0.3705 -0.0227 0.0355 0.0038 172 ILE A CG2 1053 C CD1 . ILE A 154 ? 0.3630 0.3791 0.3479 -0.0251 0.0204 -0.0109 172 ILE A CD1 1054 N N . ALA A 155 ? 0.2960 0.3797 0.3894 -0.0333 -0.0009 0.0395 173 ALA A N 1055 C CA . ALA A 155 ? 0.2622 0.3713 0.3974 -0.0332 -0.0021 0.0537 173 ALA A CA 1056 C C . ALA A 155 ? 0.2922 0.4127 0.4256 -0.0477 -0.0125 0.0602 173 ALA A C 1057 O O . ALA A 155 ? 0.2669 0.4059 0.4260 -0.0492 -0.0059 0.0668 173 ALA A O 1058 C CB . ALA A 155 ? 0.2845 0.4030 0.4475 -0.0292 -0.0136 0.0674 173 ALA A CB 1059 N N . VAL A 156 ? 0.2928 0.4010 0.3965 -0.0592 -0.0268 0.0572 174 VAL A N 1060 C CA . VAL A 156 ? 0.3210 0.4340 0.4205 -0.0752 -0.0359 0.0598 174 VAL A CA 1061 C C . VAL A 156 ? 0.3503 0.4598 0.4467 -0.0756 -0.0215 0.0557 174 VAL A C 1062 O O . VAL A 156 ? 0.3307 0.4559 0.4481 -0.0837 -0.0216 0.0635 174 VAL A O 1063 C CB . VAL A 156 ? 0.3393 0.4335 0.4036 -0.0869 -0.0485 0.0521 174 VAL A CB 1064 C CG1 . VAL A 156 ? 0.3340 0.4259 0.3927 -0.1038 -0.0534 0.0500 174 VAL A CG1 1065 C CG2 . VAL A 156 ? 0.2937 0.3971 0.3592 -0.0911 -0.0649 0.0597 174 VAL A CG2 1066 N N . PHE A 157 ? 0.3343 0.4259 0.4062 -0.0678 -0.0099 0.0458 175 PHE A N 1067 C CA . PHE A 157 ? 0.3578 0.4462 0.4210 -0.0690 0.0024 0.0445 175 PHE A CA 1068 C C . PHE A 157 ? 0.4223 0.5260 0.5008 -0.0608 0.0207 0.0460 175 PHE A C 1069 O O . PHE A 157 ? 0.4543 0.5569 0.5200 -0.0623 0.0315 0.0459 175 PHE A O 1070 C CB . PHE A 157 ? 0.3498 0.4145 0.3782 -0.0678 0.0030 0.0362 175 PHE A CB 1071 C CG . PHE A 157 ? 0.3084 0.3572 0.3244 -0.0779 -0.0082 0.0343 175 PHE A CG 1072 C CD1 . PHE A 157 ? 0.3085 0.3540 0.3295 -0.0884 -0.0082 0.0386 175 PHE A CD1 1073 C CD2 . PHE A 157 ? 0.3216 0.3582 0.3224 -0.0780 -0.0173 0.0276 175 PHE A CD2 1074 C CE1 . PHE A 157 ? 0.3516 0.3786 0.3624 -0.0986 -0.0157 0.0334 175 PHE A CE1 1075 C CE2 . PHE A 157 ? 0.3257 0.3468 0.3138 -0.0885 -0.0245 0.0226 175 PHE A CE2 1076 C CZ . PHE A 157 ? 0.3433 0.3581 0.3364 -0.0985 -0.0230 0.0241 175 PHE A CZ 1077 N N . SER A 158 ? 0.4174 0.5360 0.5241 -0.0526 0.0253 0.0481 176 SER A N 1078 C CA . SER A 158 ? 0.4605 0.5952 0.5874 -0.0455 0.0461 0.0481 176 SER A CA 1079 C C . SER A 158 ? 0.4741 0.6363 0.6509 -0.0447 0.0467 0.0613 176 SER A C 1080 O O . SER A 158 ? 0.4784 0.6507 0.6702 -0.0550 0.0298 0.0725 176 SER A O 1081 C CB . SER A 158 ? 0.4848 0.6089 0.6010 -0.0335 0.0594 0.0346 176 SER A CB 1082 O OG . SER A 158 ? 0.4939 0.6078 0.6140 -0.0284 0.0477 0.0334 176 SER A OG # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 MET 1 19 ? ? ? A . n A 1 2 GLY 2 20 ? ? ? A . n A 1 3 PRO 3 21 ? ? ? A . n A 1 4 LEU 4 22 ? ? ? A . n A 1 5 VAL 5 23 ? ? ? A . n A 1 6 ALA 6 24 ? ? ? A . n A 1 7 ARG 7 25 ? ? ? A . n A 1 8 ASP 8 26 26 ASP ASP A . n A 1 9 ALA 9 27 27 ALA ALA A . n A 1 10 ALA 10 28 28 ALA ALA A . n A 1 11 THR 11 29 29 THR THR A . n A 1 12 ILE 12 30 30 ILE ILE A . n A 1 13 LEU 13 31 31 LEU LEU A . n A 1 14 SER 14 32 32 SER SER A . n A 1 15 ASP 15 33 33 ASP ASP A . n A 1 16 LEU 16 34 34 LEU LEU A . n A 1 17 SER 17 35 35 SER SER A . n A 1 18 THR 18 36 36 THR THR A . n A 1 19 ILE 19 37 37 ILE ILE A . n A 1 20 LYS 20 38 38 LYS LYS A . n A 1 21 THR 21 39 39 THR THR A . n A 1 22 ASP 22 40 40 ASP ASP A . n A 1 23 ILE 23 41 41 ILE ILE A . n A 1 24 ASN 24 42 42 ASN ASN A . n A 1 25 THR 25 43 43 THR THR A . n A 1 26 LEU 26 44 44 LEU LEU A . n A 1 27 THR 27 45 45 THR THR A . n A 1 28 GLN 28 46 46 GLN GLN A . n A 1 29 HIS 29 47 47 HIS HIS A . n A 1 30 PHE 30 48 48 PHE PHE A . n A 1 31 ASN 31 49 49 ASN ASN A . n A 1 32 GLU 32 50 50 GLU GLU A . n A 1 33 PHE 33 51 51 PHE PHE A . n A 1 34 THR 34 52 52 THR THR A . n A 1 35 GLY 35 53 53 GLY GLY A . n A 1 36 ASP 36 54 54 ASP ASP A . n A 1 37 LEU 37 55 55 LEU LEU A . n A 1 38 LEU 38 56 56 LEU LEU A . n A 1 39 GLN 39 57 57 GLN GLN A . n A 1 40 ALA 40 58 58 ALA ALA A . n A 1 41 LEU 41 59 59 LEU LEU A . n A 1 42 ALA 42 60 60 ALA ALA A . n A 1 43 ALA 43 61 61 ALA ALA A . n A 1 44 GLN 44 62 62 GLN GLN A . n A 1 45 ALA 45 63 63 ALA ALA A . n A 1 46 VAL 46 64 64 VAL VAL A . n A 1 47 GLU 47 65 65 GLU GLU A . n A 1 48 GLN 48 66 66 GLN GLN A . n A 1 49 GLN 49 67 67 GLN GLN A . n A 1 50 LEU 50 68 68 LEU LEU A . n A 1 51 GLU 51 69 69 GLU GLU A . n A 1 52 SER 52 70 70 SER SER A . n A 1 53 ASP 53 71 71 ASP ASP A . n A 1 54 ILE 54 72 72 ILE ILE A . n A 1 55 ASP 55 73 73 ASP ASP A . n A 1 56 GLN 56 74 74 GLN GLN A . n A 1 57 ALA 57 75 75 ALA ALA A . n A 1 58 THR 58 76 76 THR THR A . n A 1 59 ALA 59 77 77 ALA ALA A . n A 1 60 ASP 60 78 78 ASP ASP A . n A 1 61 ALA 61 79 79 ALA ALA A . n A 1 62 LYS 62 80 80 LYS LYS A . n A 1 63 ALA 63 81 81 ALA ALA A . n A 1 64 THR 64 82 82 THR THR A . n A 1 65 SER 65 83 83 SER SER A . n A 1 66 ALA 66 84 84 ALA ALA A . n A 1 67 LEU 67 85 85 LEU LEU A . n A 1 68 SER 68 86 86 SER SER A . n A 1 69 ALA 69 87 87 ALA ALA A . n A 1 70 ALA 70 88 88 ALA ALA A . n A 1 71 ASP 71 89 89 ASP ASP A . n A 1 72 SER 72 90 90 SER SER A . n A 1 73 THR 73 91 91 THR THR A . n A 1 74 SER 74 92 92 SER SER A . n A 1 75 VAL 75 93 93 VAL VAL A . n A 1 76 THR 76 94 94 THR THR A . n A 1 77 ASN 77 95 95 ASN ASN A . n A 1 78 ALA 78 96 96 ALA ALA A . n A 1 79 LEU 79 97 97 LEU LEU A . n A 1 80 LEU 80 98 98 LEU LEU A . n A 1 81 GLY 81 99 99 GLY GLY A . n A 1 82 LEU 82 100 100 LEU LEU A . n A 1 83 LYS 83 101 101 LYS LYS A . n A 1 84 PRO 84 102 102 PRO PRO A . n A 1 85 ASP 85 103 103 ASP ASP A . n A 1 86 ILE 86 104 104 ILE ILE A . n A 1 87 VAL 87 105 105 VAL VAL A . n A 1 88 THR 88 106 106 THR THR A . n A 1 89 SER 89 107 107 SER SER A . n A 1 90 LEU 90 108 108 LEU LEU A . n A 1 91 ASP 91 109 109 ASP ASP A . n A 1 92 ALA 92 110 110 ALA ALA A . n A 1 93 ILE 93 111 111 ILE ILE A . n A 1 94 VAL 94 112 112 VAL VAL A . n A 1 95 ALA 95 113 113 ALA ALA A . n A 1 96 LYS 96 114 114 LYS LYS A . n A 1 97 LYS 97 115 115 LYS LYS A . n A 1 98 PRO 98 116 116 PRO PRO A . n A 1 99 GLN 99 117 117 GLN GLN A . n A 1 100 VAL 100 118 118 VAL VAL A . n A 1 101 ASP 101 119 119 ASP ASP A . n A 1 102 SER 102 120 120 SER SER A . n A 1 103 ALA 103 121 121 ALA ALA A . n A 1 104 GLY 104 122 122 GLY GLY A . n A 1 105 VAL 105 123 123 VAL VAL A . n A 1 106 GLY 106 124 124 GLY GLY A . n A 1 107 SER 107 125 125 SER SER A . n A 1 108 LEU 108 126 126 LEU LEU A . n A 1 109 VAL 109 127 127 VAL VAL A . n A 1 110 LEU 110 128 128 LEU LEU A . n A 1 111 SER 111 129 129 SER SER A . n A 1 112 ASP 112 130 130 ASP ASP A . n A 1 113 LEU 113 131 131 LEU LEU A . n A 1 114 ASN 114 132 132 ASN ASN A . n A 1 115 ALA 115 133 133 ALA ALA A . n A 1 116 LEU 116 134 134 LEU LEU A . n A 1 117 GLN 117 135 135 GLN GLN A . n A 1 118 SER 118 136 136 SER SER A . n A 1 119 LYS 119 137 137 LYS LYS A . n A 1 120 THR 120 138 138 THR THR A . n A 1 121 ASP 121 139 139 ASP ASP A . n A 1 122 ALA 122 140 140 ALA ALA A . n A 1 123 LEU 123 141 141 LEU LEU A . n A 1 124 SER 124 142 142 SER SER A . n A 1 125 GLY 125 143 143 GLY GLY A . n A 1 126 ALA 126 144 144 ALA ALA A . n A 1 127 LEU 127 145 145 LEU LEU A . n A 1 128 GLN 128 146 146 GLN GLN A . n A 1 129 ASP 129 147 147 ASP ASP A . n A 1 130 ILE 130 148 148 ILE ILE A . n A 1 131 ALA 131 149 149 ALA ALA A . n A 1 132 THR 132 150 150 THR THR A . n A 1 133 ALA 133 151 151 ALA ALA A . n A 1 134 THR 134 152 152 THR THR A . n A 1 135 ASP 135 153 153 ASP ASP A . n A 1 136 LYS 136 154 154 LYS LYS A . n A 1 137 ASP 137 155 155 ASP ASP A . n A 1 138 THR 138 156 156 THR THR A . n A 1 139 ILE 139 157 157 ILE ILE A . n A 1 140 ALA 140 158 158 ALA ALA A . n A 1 141 SER 141 159 159 SER SER A . n A 1 142 GLY 142 160 160 GLY GLY A . n A 1 143 THR 143 161 161 THR THR A . n A 1 144 GLN 144 162 162 GLN GLN A . n A 1 145 ASP 145 163 163 ASP ASP A . n A 1 146 ILE 146 164 164 ILE ILE A . n A 1 147 ASP 147 165 165 ASP ASP A . n A 1 148 ALA 148 166 166 ALA ALA A . n A 1 149 ALA 149 167 167 ALA ALA A . n A 1 150 PHE 150 168 168 PHE PHE A . n A 1 151 SER 151 169 169 SER SER A . n A 1 152 SER 152 170 170 SER SER A . n A 1 153 ALA 153 171 171 ALA ALA A . n A 1 154 ILE 154 172 172 ILE ILE A . n A 1 155 ALA 155 173 173 ALA ALA A . n A 1 156 VAL 156 174 174 VAL VAL A . n A 1 157 PHE 157 175 175 PHE PHE A . n A 1 158 SER 158 176 176 SER SER A . n A 1 159 HIS 159 177 ? ? ? A . n A 1 160 HIS 160 178 ? ? ? A . n A 1 161 HIS 161 179 ? ? ? A . n A 1 162 HIS 162 180 ? ? ? A . n A 1 163 HIS 163 181 ? ? ? A . n A 1 164 HIS 164 182 ? ? ? 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 MAN 1 201 201 MAN MAN A . C 3 PLM 1 202 202 PLM PLM A . D 4 HOH 1 301 396 HOH HOH A . D 4 HOH 2 302 371 HOH HOH A . D 4 HOH 3 303 329 HOH HOH A . D 4 HOH 4 304 335 HOH HOH A . D 4 HOH 5 305 321 HOH HOH A . D 4 HOH 6 306 360 HOH HOH A . D 4 HOH 7 307 386 HOH HOH A . D 4 HOH 8 308 349 HOH HOH A . D 4 HOH 9 309 402 HOH HOH A . D 4 HOH 10 310 306 HOH HOH A . D 4 HOH 11 311 304 HOH HOH A . D 4 HOH 12 312 380 HOH HOH A . D 4 HOH 13 313 313 HOH HOH A . D 4 HOH 14 314 305 HOH HOH A . D 4 HOH 15 315 308 HOH HOH A . D 4 HOH 16 316 424 HOH HOH A . D 4 HOH 17 317 442 HOH HOH A . D 4 HOH 18 318 422 HOH HOH A . D 4 HOH 19 319 328 HOH HOH A . D 4 HOH 20 320 315 HOH HOH A . D 4 HOH 21 321 344 HOH HOH A . D 4 HOH 22 322 314 HOH HOH A . D 4 HOH 23 323 322 HOH HOH A . D 4 HOH 24 324 355 HOH HOH A . D 4 HOH 25 325 347 HOH HOH A . D 4 HOH 26 326 367 HOH HOH A . D 4 HOH 27 327 368 HOH HOH A . D 4 HOH 28 328 444 HOH HOH A . D 4 HOH 29 329 324 HOH HOH A . D 4 HOH 30 330 388 HOH HOH A . D 4 HOH 31 331 311 HOH HOH A . D 4 HOH 32 332 366 HOH HOH A . D 4 HOH 33 333 336 HOH HOH A . D 4 HOH 34 334 403 HOH HOH A . D 4 HOH 35 335 351 HOH HOH A . D 4 HOH 36 336 317 HOH HOH A . D 4 HOH 37 337 363 HOH HOH A . D 4 HOH 38 338 339 HOH HOH A . D 4 HOH 39 339 395 HOH HOH A . D 4 HOH 40 340 384 HOH HOH A . D 4 HOH 41 341 443 HOH HOH A . D 4 HOH 42 342 440 HOH HOH A . D 4 HOH 43 343 389 HOH HOH A . D 4 HOH 44 344 302 HOH HOH A . D 4 HOH 45 345 316 HOH HOH A . D 4 HOH 46 346 323 HOH HOH A . D 4 HOH 47 347 400 HOH HOH A . D 4 HOH 48 348 439 HOH HOH A . D 4 HOH 49 349 318 HOH HOH A . D 4 HOH 50 350 309 HOH HOH A . D 4 HOH 51 351 303 HOH HOH A . D 4 HOH 52 352 338 HOH HOH A . D 4 HOH 53 353 359 HOH HOH A . D 4 HOH 54 354 342 HOH HOH A . D 4 HOH 55 355 301 HOH HOH A . D 4 HOH 56 356 346 HOH HOH A . D 4 HOH 57 357 333 HOH HOH A . D 4 HOH 58 358 348 HOH HOH A . D 4 HOH 59 359 337 HOH HOH A . D 4 HOH 60 360 369 HOH HOH A . D 4 HOH 61 361 362 HOH HOH A . D 4 HOH 62 362 390 HOH HOH A . D 4 HOH 63 363 307 HOH HOH A . D 4 HOH 64 364 320 HOH HOH A . D 4 HOH 65 365 374 HOH HOH A . D 4 HOH 66 366 383 HOH HOH A . D 4 HOH 67 367 341 HOH HOH A . D 4 HOH 68 368 391 HOH HOH A . D 4 HOH 69 369 406 HOH HOH A . D 4 HOH 70 370 361 HOH HOH A . D 4 HOH 71 371 372 HOH HOH A . D 4 HOH 72 372 370 HOH HOH A . D 4 HOH 73 373 358 HOH HOH A . D 4 HOH 74 374 382 HOH HOH A . D 4 HOH 75 375 352 HOH HOH A . D 4 HOH 76 376 387 HOH HOH A . D 4 HOH 77 377 376 HOH HOH A . D 4 HOH 78 378 379 HOH HOH A . D 4 HOH 79 379 393 HOH HOH A . D 4 HOH 80 380 447 HOH HOH A . D 4 HOH 81 381 419 HOH HOH A . D 4 HOH 82 382 340 HOH HOH A . D 4 HOH 83 383 373 HOH HOH A . D 4 HOH 84 384 334 HOH HOH A . D 4 HOH 85 385 394 HOH HOH A . D 4 HOH 86 386 319 HOH HOH A . D 4 HOH 87 387 385 HOH HOH A . D 4 HOH 88 388 345 HOH HOH A . D 4 HOH 89 389 375 HOH HOH A . D 4 HOH 90 390 312 HOH HOH A . D 4 HOH 91 391 416 HOH HOH A . D 4 HOH 92 392 310 HOH HOH A . D 4 HOH 93 393 350 HOH HOH A . D 4 HOH 94 394 421 HOH HOH A . D 4 HOH 95 395 325 HOH HOH A . D 4 HOH 96 396 326 HOH HOH A . D 4 HOH 97 397 327 HOH HOH A . D 4 HOH 98 398 401 HOH HOH A . D 4 HOH 99 399 392 HOH HOH A . D 4 HOH 100 400 441 HOH HOH A . D 4 HOH 101 401 381 HOH HOH A . D 4 HOH 102 402 365 HOH HOH A . D 4 HOH 103 403 397 HOH HOH A . D 4 HOH 104 404 434 HOH HOH A . D 4 HOH 105 405 435 HOH HOH A . D 4 HOH 106 406 343 HOH HOH A . D 4 HOH 107 407 423 HOH HOH A . D 4 HOH 108 408 407 HOH HOH A . D 4 HOH 109 409 404 HOH HOH A . D 4 HOH 110 410 412 HOH HOH A . D 4 HOH 111 411 405 HOH HOH A . D 4 HOH 112 412 420 HOH HOH A . D 4 HOH 113 413 446 HOH HOH A . D 4 HOH 114 414 413 HOH HOH A . D 4 HOH 115 415 418 HOH HOH A . D 4 HOH 116 416 432 HOH HOH A . D 4 HOH 117 417 354 HOH HOH A . D 4 HOH 118 418 436 HOH HOH A . D 4 HOH 119 419 431 HOH HOH A . D 4 HOH 120 420 378 HOH HOH A . D 4 HOH 121 421 357 HOH HOH A . D 4 HOH 122 422 332 HOH HOH A . D 4 HOH 123 423 330 HOH HOH A . D 4 HOH 124 424 398 HOH HOH A . D 4 HOH 125 425 429 HOH HOH A . D 4 HOH 126 426 430 HOH HOH A . D 4 HOH 127 427 433 HOH HOH A . D 4 HOH 128 428 410 HOH HOH A . D 4 HOH 129 429 377 HOH HOH A . D 4 HOH 130 430 409 HOH HOH A . D 4 HOH 131 431 417 HOH HOH A . D 4 HOH 132 432 437 HOH HOH A . D 4 HOH 133 433 364 HOH HOH A . D 4 HOH 134 434 414 HOH HOH A . D 4 HOH 135 435 399 HOH HOH A . D 4 HOH 136 436 425 HOH HOH A . D 4 HOH 137 437 438 HOH HOH A . D 4 HOH 138 438 448 HOH HOH A . D 4 HOH 139 439 356 HOH HOH A . D 4 HOH 140 440 427 HOH HOH A . D 4 HOH 141 441 331 HOH HOH A . D 4 HOH 142 442 411 HOH HOH A . D 4 HOH 143 443 415 HOH HOH A . D 4 HOH 144 444 408 HOH HOH A . D 4 HOH 145 445 426 HOH HOH A . D 4 HOH 146 446 353 HOH HOH A . D 4 HOH 147 447 445 HOH HOH A . D 4 HOH 148 448 428 HOH HOH A . # _pdbx_struct_mod_residue.id 1 _pdbx_struct_mod_residue.label_asym_id A _pdbx_struct_mod_residue.label_comp_id SER _pdbx_struct_mod_residue.label_seq_id 152 _pdbx_struct_mod_residue.auth_asym_id A _pdbx_struct_mod_residue.auth_comp_id SER _pdbx_struct_mod_residue.auth_seq_id 170 _pdbx_struct_mod_residue.PDB_ins_code ? _pdbx_struct_mod_residue.parent_comp_id SER _pdbx_struct_mod_residue.details 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_defined_assembly _pdbx_struct_assembly.method_details ? _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 1060 ? 1 MORE 4 ? 1 'SSA (A^2)' 6840 ? # _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 # _pdbx_struct_special_symmetry.id 1 _pdbx_struct_special_symmetry.PDB_model_num 1 _pdbx_struct_special_symmetry.auth_asym_id A _pdbx_struct_special_symmetry.auth_comp_id HOH _pdbx_struct_special_symmetry.auth_seq_id 316 _pdbx_struct_special_symmetry.PDB_ins_code ? _pdbx_struct_special_symmetry.label_asym_id D _pdbx_struct_special_symmetry.label_comp_id HOH _pdbx_struct_special_symmetry.label_seq_id . # _pdbx_audit_revision_history.ordinal 1 _pdbx_audit_revision_history.data_content_type 'Structure model' _pdbx_audit_revision_history.major_revision 1 _pdbx_audit_revision_history.minor_revision 0 _pdbx_audit_revision_history.revision_date 2017-04-05 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] _pdbx_refine_tls.S[3][3] 'X-RAY DIFFRACTION' 1 ? refined 14.4560 85.2740 18.1650 0.0789 0.1844 0.0737 0.0212 0.0394 0.0757 14.0322 12.4215 6.0530 6.9764 -2.1473 -0.0437 0.0891 -0.0777 0.0099 0.0769 -0.1592 -0.5091 0.0979 0.6177 0.0701 'X-RAY DIFFRACTION' 2 ? refined 5.7260 80.5110 21.4490 0.0728 0.1073 0.0627 0.0384 0.0374 0.0294 4.0308 6.2290 3.0807 3.1375 -1.3620 -2.2104 -0.0031 -0.2174 -0.1905 -0.0046 -0.2192 -0.2787 0.2929 0.2152 0.2222 'X-RAY DIFFRACTION' 3 ? refined -6.4720 78.3830 18.2290 0.1208 0.0862 0.0341 -0.0428 -0.0372 -0.0034 5.5742 5.9315 5.1074 2.2513 -1.8522 -2.2810 -0.1663 0.4624 0.0613 -0.4321 0.3084 0.2295 0.3589 -0.4020 -0.1421 'X-RAY DIFFRACTION' 4 ? refined -0.1810 92.0940 20.6250 0.1449 0.0849 0.0870 -0.0365 -0.0094 -0.0260 4.1821 2.9247 1.9700 1.4413 -0.8084 -1.0494 0.0682 -0.1136 0.5642 0.1336 0.0235 0.2699 -0.2429 -0.0289 -0.0917 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection _pdbx_refine_tls_group.selection_details 'X-RAY DIFFRACTION' 1 1 A 26 ? ? A 39 ? ? ? ? 'X-RAY DIFFRACTION' 2 2 A 40 ? ? A 96 ? ? ? ? 'X-RAY DIFFRACTION' 3 3 A 97 ? ? A 128 ? ? ? ? 'X-RAY DIFFRACTION' 4 4 A 129 ? ? A 176 ? ? ? ? # loop_ _software.citation_id _software.classification _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 _software.os _software.os_version _software.type _software.version _software.pdbx_ordinal ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? DENZO ? ? ? . 1 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? SCALEPACK ? ? ? . 2 ? phasing ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? . 3 ? refinement ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.5.0110 4 # _pdbx_validate_torsion.id 1 _pdbx_validate_torsion.PDB_model_num 1 _pdbx_validate_torsion.auth_comp_id ALA _pdbx_validate_torsion.auth_asym_id A _pdbx_validate_torsion.auth_seq_id 84 _pdbx_validate_torsion.PDB_ins_code ? _pdbx_validate_torsion.label_alt_id ? _pdbx_validate_torsion.phi -39.49 _pdbx_validate_torsion.psi 126.21 # 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 MET 19 ? A MET 1 2 1 Y 1 A GLY 20 ? A GLY 2 3 1 Y 1 A PRO 21 ? A PRO 3 4 1 Y 1 A LEU 22 ? A LEU 4 5 1 Y 1 A VAL 23 ? A VAL 5 6 1 Y 1 A ALA 24 ? A ALA 6 7 1 Y 1 A ARG 25 ? A ARG 7 8 1 Y 1 A HIS 177 ? A HIS 159 9 1 Y 1 A HIS 178 ? A HIS 160 10 1 Y 1 A HIS 179 ? A HIS 161 11 1 Y 1 A HIS 180 ? A HIS 162 12 1 Y 1 A HIS 181 ? A HIS 163 13 1 Y 1 A HIS 182 ? A HIS 164 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 ALPHA-D-MANNOSE MAN 3 'PALMITIC ACID' PLM 4 water HOH #