data_4WI4 # _entry.id 4WI4 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.285 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 4WI4 WWPDB D_1000203813 # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 4WI4 _pdbx_database_status.recvd_initial_deposition_date 2014-09-25 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Farrugia, W.' 1 'Burvenich, I.J.G.' 2 'Scott, A.M.' 3 'Ramsland, P.A.' 4 # _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 'Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice' _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 'Burvenich, I.J.G.' 1 primary 'Farrugia, W.' 2 primary 'Lee, F.T.' 3 primary 'Catimel, B.' 4 primary 'Liu, Z.' 5 primary 'Makris, D.' 6 primary 'Cao, D.' 7 primary ;O'Keefe, G. ; 8 primary 'Brechbiel, M.W.' 9 primary 'King, D.' 10 primary 'Spirkoska, V.' 11 primary 'Allan, L.' 12 primary 'Ramsland, P.A.' 13 primary 'Scott, A.M.' 14 # _cell.entry_id 4WI4 _cell.length_a 49.155 _cell.length_b 79.114 _cell.length_c 141.207 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 8 _cell.pdbx_unique_axis ? # _symmetry.entry_id 4WI4 _symmetry.cell_setting ? _symmetry.Int_Tables_number 19 _symmetry.space_group_name_Hall ? _symmetry.space_group_name_H-M 'P 21 21 21' _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 'Ig gamma-1 chain C region' 23561.623 2 ? S254A 'unp residues 120-317' ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 8 ? ? ? ? 3 non-polymer man BETA-D-MANNOSE 180.156 2 ? ? ? ? 4 non-polymer man ALPHA-D-MANNOSE 180.156 4 ? ? ? ? 5 non-polymer man ALPHA-L-FUCOSE 164.156 2 ? ? ? ? 6 non-polymer syn 1,2-ETHANEDIOL 62.068 3 ? ? ? ? 7 water nat water 18.015 33 ? ? ? ? # _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 ;PSVFLFPPKPKDTLMIARTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGK EYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPV LDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLS ; _entity_poly.pdbx_seq_one_letter_code_can ;PSVFLFPPKPKDTLMIARTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGK EYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPV LDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLS ; _entity_poly.pdbx_strand_id A,B _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 PRO n 1 2 SER n 1 3 VAL n 1 4 PHE n 1 5 LEU n 1 6 PHE n 1 7 PRO n 1 8 PRO n 1 9 LYS n 1 10 PRO n 1 11 LYS n 1 12 ASP n 1 13 THR n 1 14 LEU n 1 15 MET n 1 16 ILE n 1 17 ALA n 1 18 ARG n 1 19 THR n 1 20 PRO n 1 21 GLU n 1 22 VAL n 1 23 THR n 1 24 CYS n 1 25 VAL n 1 26 VAL n 1 27 VAL n 1 28 ASP n 1 29 VAL n 1 30 SER n 1 31 HIS n 1 32 GLU n 1 33 ASP n 1 34 PRO n 1 35 GLU n 1 36 VAL n 1 37 LYS n 1 38 PHE n 1 39 ASN n 1 40 TRP n 1 41 TYR n 1 42 VAL n 1 43 ASP n 1 44 GLY n 1 45 VAL n 1 46 GLU n 1 47 VAL n 1 48 HIS n 1 49 ASN n 1 50 ALA n 1 51 LYS n 1 52 THR n 1 53 LYS n 1 54 PRO n 1 55 ARG n 1 56 GLU n 1 57 GLU n 1 58 GLN n 1 59 TYR n 1 60 ASN n 1 61 SER n 1 62 THR n 1 63 TYR n 1 64 ARG n 1 65 VAL n 1 66 VAL n 1 67 SER n 1 68 VAL n 1 69 LEU n 1 70 THR n 1 71 VAL n 1 72 LEU n 1 73 HIS n 1 74 GLN n 1 75 ASP n 1 76 TRP n 1 77 LEU n 1 78 ASN n 1 79 GLY n 1 80 LYS n 1 81 GLU n 1 82 TYR n 1 83 LYS n 1 84 CYS n 1 85 LYS n 1 86 VAL n 1 87 SER n 1 88 ASN n 1 89 LYS n 1 90 ALA n 1 91 LEU n 1 92 PRO n 1 93 ALA n 1 94 PRO n 1 95 ILE n 1 96 GLU n 1 97 LYS n 1 98 THR n 1 99 ILE n 1 100 SER n 1 101 LYS n 1 102 ALA n 1 103 LYS n 1 104 GLY n 1 105 GLN n 1 106 PRO n 1 107 ARG n 1 108 GLU n 1 109 PRO n 1 110 GLN n 1 111 VAL n 1 112 TYR n 1 113 THR n 1 114 LEU n 1 115 PRO n 1 116 PRO n 1 117 SER n 1 118 ARG n 1 119 ASP n 1 120 GLU n 1 121 LEU n 1 122 THR n 1 123 LYS n 1 124 ASN n 1 125 GLN n 1 126 VAL n 1 127 SER n 1 128 LEU n 1 129 THR n 1 130 CYS n 1 131 LEU n 1 132 VAL n 1 133 LYS n 1 134 GLY n 1 135 PHE n 1 136 TYR n 1 137 PRO n 1 138 SER n 1 139 ASP n 1 140 ILE n 1 141 ALA n 1 142 VAL n 1 143 GLU n 1 144 TRP n 1 145 GLU n 1 146 SER n 1 147 ASN n 1 148 GLY n 1 149 GLN n 1 150 PRO n 1 151 GLU n 1 152 ASN n 1 153 ASN n 1 154 TYR n 1 155 LYS n 1 156 THR n 1 157 THR n 1 158 PRO n 1 159 PRO n 1 160 VAL n 1 161 LEU n 1 162 ASP n 1 163 SER n 1 164 ASP n 1 165 GLY n 1 166 SER n 1 167 PHE n 1 168 PHE n 1 169 LEU n 1 170 TYR n 1 171 SER n 1 172 LYS n 1 173 LEU n 1 174 THR n 1 175 VAL n 1 176 ASP n 1 177 LYS n 1 178 SER n 1 179 ARG n 1 180 TRP n 1 181 GLN n 1 182 GLN n 1 183 GLY n 1 184 ASN n 1 185 VAL n 1 186 PHE n 1 187 SER n 1 188 CYS n 1 189 SER n 1 190 VAL n 1 191 MET n 1 192 HIS n 1 193 GLU n 1 194 ALA n 1 195 LEU n 1 196 HIS n 1 197 ASN n 1 198 HIS n 1 199 TYR n 1 200 THR n 1 201 GLN n 1 202 LYS n 1 203 SER n 1 204 LEU n 1 205 SER n 1 206 LEU n 1 207 SER 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 207 _entity_src_gen.gene_src_common_name Human _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene IGHG1 _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'Homo sapiens' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name ? _entity_src_gen.pdbx_host_org_scientific_name 'Homo sapiens' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 9606 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain ? _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line 293F _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type ? _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name ? _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code IGHG1_HUMAN _struct_ref.pdbx_db_accession P01857 _struct_ref.pdbx_db_isoform ? _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;PSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGK EYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPV LDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLS ; _struct_ref.pdbx_align_begin 121 # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 4WI4 A 1 ? 207 ? P01857 121 ? 327 ? 238 444 2 1 4WI4 B 1 ? 207 ? P01857 121 ? 327 ? 238 444 # 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 4WI4 ALA A 17 ? UNP P01857 SER 137 'engineered mutation' 254 1 2 4WI4 ALA B 17 ? UNP P01857 SER 137 'engineered mutation' 254 2 # 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 BMA D-saccharide . BETA-D-MANNOSE ? 'C6 H12 O6' 180.156 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 EDO non-polymer . 1,2-ETHANEDIOL 'ETHYLENE GLYCOL' 'C2 H6 O2' 62.068 FUC saccharide . ALPHA-L-FUCOSE ? 'C6 H12 O5' 164.156 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 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 4WI4 _exptl.crystals_number ? _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 2.84 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 56.65 _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 6.0 _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 291 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details 'PEG 6000, 0.1 M MES, 25% v/v ethylene glycol' _exptl_crystal_grow.pdbx_pH_range ? # _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 210' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2012-08-02 # _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 0.954 _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 'AUSTRALIAN SYNCHROTRON BEAMLINE MX2' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 0.954 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline MX2 _diffrn_source.pdbx_synchrotron_site 'Australian Synchrotron' # _reflns.B_iso_Wilson_estimate ? _reflns.entry_id 4WI4 _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 2.80 _reflns.d_resolution_low 30.0 _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 13759 _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 96.5 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 5.1 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 24.7 _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 ? # _refine.aniso_B[1][1] -8.2455 _refine.aniso_B[1][2] -0.0000 _refine.aniso_B[1][3] 0.0000 _refine.aniso_B[2][2] -3.7715 _refine.aniso_B[2][3] -0.0000 _refine.aniso_B[3][3] 12.0171 _refine.B_iso_max ? _refine.B_iso_mean ? _refine.B_iso_min ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.details ? _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 4WI4 _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 2.800 _refine.ls_d_res_low 28.673 _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 13703 _refine.ls_number_reflns_R_free 1371 _refine.ls_number_reflns_R_work ? _refine.ls_number_restraints ? _refine.ls_percent_reflns_obs 96.75 _refine.ls_percent_reflns_R_free 10.01 _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.2465 _refine.ls_R_factor_R_free 0.3079 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_R_factor_R_work 0.2396 _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 'FLAT BULK SOLVENT MODEL' _refine.solvent_model_param_bsol 53.103 _refine.solvent_model_param_ksol 0.311 _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 1.99 _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 'FREE R-VALUE' _refine.pdbx_method_to_determine_struct ? _refine.pdbx_starting_model ? _refine.pdbx_stereochemistry_target_values ML _refine.pdbx_R_Free_selection_details ? _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.98 _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 34.94 _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 ? _refine.overall_SU_ML 0.54 _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 3305 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 210 _refine_hist.number_atoms_solvent 33 _refine_hist.number_atoms_total 3548 _refine_hist.d_res_high 2.800 _refine_hist.d_res_low 28.673 # 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' ? 0.017 ? 3623 ? f_bond_d ? ? 'X-RAY DIFFRACTION' ? 1.903 ? 4949 ? f_angle_d ? ? 'X-RAY DIFFRACTION' ? 30.183 ? 1431 ? f_dihedral_angle_d ? ? 'X-RAY DIFFRACTION' ? 0.115 ? 590 ? f_chiral_restr ? ? 'X-RAY DIFFRACTION' ? 0.008 ? 602 ? f_plane_restr ? ? # loop_ _refine_ls_restr_ncs.pdbx_refine_id _refine_ls_restr_ncs.dom_id _refine_ls_restr_ncs.pdbx_ens_id _refine_ls_restr_ncs.pdbx_ordinal _refine_ls_restr_ncs.ncs_model_details _refine_ls_restr_ncs.rms_dev_position _refine_ls_restr_ncs.weight_position _refine_ls_restr_ncs.rms_dev_B_iso _refine_ls_restr_ncs.weight_B_iso _refine_ls_restr_ncs.pdbx_auth_asym_id _refine_ls_restr_ncs.pdbx_number _refine_ls_restr_ncs.pdbx_type 'X-RAY DIFFRACTION' 1 1 1 ? ? ? ? ? A 1582 POSITIONAL 'X-RAY DIFFRACTION' 2 1 2 ? 0.137 ? ? ? B 1582 POSITIONAL # loop_ _refine_ls_shell.pdbx_refine_id _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_all _refine_ls_shell.number_reflns_obs _refine_ls_shell.number_reflns_R_free _refine_ls_shell.number_reflns_R_work _refine_ls_shell.percent_reflns_obs _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 _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.R_factor_R_work _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 _refine_ls_shell.pdbx_phase_error 'X-RAY DIFFRACTION' 2.8001 2.9001 . . 130 1166 93.00 . . . 0.4312 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.9001 3.0161 . . 130 1173 95.00 . . . 0.4352 . 0.3461 . . . . . . . . 'X-RAY DIFFRACTION' 3.0161 3.1532 . . 130 1180 95.00 . . . 0.4054 . 0.3067 . . . . . . . . 'X-RAY DIFFRACTION' 3.1532 3.3192 . . 136 1221 96.00 . . . 0.3925 . 0.2752 . . . . . . . . 'X-RAY DIFFRACTION' 3.3192 3.5268 . . 135 1218 97.00 . . . 0.3382 . 0.2582 . . . . . . . . 'X-RAY DIFFRACTION' 3.5268 3.7986 . . 136 1223 97.00 . . . 0.3495 . 0.2257 . . . . . . . . 'X-RAY DIFFRACTION' 3.7986 4.1798 . . 139 1253 99.00 . . . 0.2650 . 0.2099 . . . . . . . . 'X-RAY DIFFRACTION' 4.1798 4.7822 . . 140 1252 99.00 . . . 0.2582 . 0.1776 . . . . . . . . 'X-RAY DIFFRACTION' 4.7822 6.0159 . . 143 1296 99.00 . . . 0.2853 . 0.2292 . . . . . . . . 'X-RAY DIFFRACTION' 6.0159 10 . . 152 1350 98.00 . . . 0.2682 . 0.2332 . . . . . . . . # loop_ _struct_ncs_dom.id _struct_ncs_dom.details _struct_ncs_dom.pdbx_ens_id 1 ? 1 2 ? 1 # loop_ _struct_ncs_dom_lim.dom_id _struct_ncs_dom_lim.beg_auth_asym_id _struct_ncs_dom_lim.beg_auth_seq_id _struct_ncs_dom_lim.end_auth_asym_id _struct_ncs_dom_lim.end_auth_seq_id _struct_ncs_dom_lim.pdbx_component_id _struct_ncs_dom_lim.pdbx_refine_code _struct_ncs_dom_lim.beg_label_asym_id _struct_ncs_dom_lim.beg_label_comp_id _struct_ncs_dom_lim.beg_label_seq_id _struct_ncs_dom_lim.beg_label_alt_id _struct_ncs_dom_lim.end_label_asym_id _struct_ncs_dom_lim.end_label_comp_id _struct_ncs_dom_lim.end_label_seq_id _struct_ncs_dom_lim.end_label_alt_id _struct_ncs_dom_lim.pdbx_ens_id _struct_ncs_dom_lim.selection_details 1 ? ? ? ? 1 ? ? ? ? ? ? ? ? ? 1 ;chain 'A' and (resseq 240:291 or resseq 299:444 ) and (not element H) and (not element D) ; 2 ? ? ? ? 1 ? ? ? ? ? ? ? ? ? 1 ;chain 'B' and (resseq 240:291 or resseq 299:444 ) and (not element H) and (not element D) ; # _struct_ncs_ens.id 1 _struct_ncs_ens.details ? # _struct.entry_id 4WI4 _struct.title 'Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation S254A' _struct.pdbx_descriptor 'FC FRAGMENT (H CHAIN MONOMER 1), FC FRAGMENT (H CHAIN MONOMER 2)' _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 4WI4 _struct_keywords.text 'Human IgG1, FcRn binding site, Therapeutic antibody, IMMUNE SYSTEM' _struct_keywords.pdbx_keywords 'IMMUNE SYSTEM' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 1 ? C N N 2 ? D N N 2 ? E N N 3 ? F N N 4 ? G N N 2 ? H N N 4 ? I N N 2 ? J N N 5 ? K N N 6 ? L N N 2 ? M N N 2 ? N N N 3 ? O N N 4 ? P N N 2 ? Q N N 4 ? R N N 2 ? S N N 5 ? T N N 6 ? U N N 6 ? V N N 7 ? W N N 7 ? # 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 LYS A 9 ? LEU A 14 ? LYS A 246 LEU A 251 1 ? 6 HELX_P HELX_P2 AA2 LEU A 72 ? ASN A 78 ? LEU A 309 ASN A 315 1 ? 7 HELX_P HELX_P3 AA3 SER A 117 ? LEU A 121 ? SER A 354 LEU A 358 5 ? 5 HELX_P HELX_P4 AA4 LYS A 177 ? GLY A 183 ? LYS A 414 GLY A 420 1 ? 7 HELX_P HELX_P5 AA5 LEU A 195 ? TYR A 199 ? LEU A 432 TYR A 436 5 ? 5 HELX_P HELX_P6 AA6 LYS B 9 ? LEU B 14 ? LYS B 246 LEU B 251 1 ? 6 HELX_P HELX_P7 AA7 LEU B 72 ? ASN B 78 ? LEU B 309 ASN B 315 1 ? 7 HELX_P HELX_P8 AA8 SER B 117 ? LEU B 121 ? SER B 354 LEU B 358 5 ? 5 HELX_P HELX_P9 AA9 LYS B 177 ? GLY B 183 ? LYS B 414 GLY B 420 1 ? 7 HELX_P HELX_P10 AB1 LEU B 195 ? TYR B 199 ? LEU B 432 TYR B 436 5 ? 5 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 24 SG ? ? ? 1_555 A CYS 84 SG ? ? A CYS 261 A CYS 321 1_555 ? ? ? ? ? ? ? 2.038 ? disulf2 disulf ? ? A CYS 130 SG ? ? ? 1_555 A CYS 188 SG ? ? A CYS 367 A CYS 425 1_555 ? ? ? ? ? ? ? 2.046 ? disulf3 disulf ? ? B CYS 24 SG ? ? ? 1_555 B CYS 84 SG ? ? B CYS 261 B CYS 321 1_555 ? ? ? ? ? ? ? 2.030 ? disulf4 disulf ? ? B CYS 130 SG ? ? ? 1_555 B CYS 188 SG ? ? B CYS 367 B CYS 425 1_555 ? ? ? ? ? ? ? 2.016 ? covale1 covale one ? A ASN 60 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 297 A NAG 501 1_555 ? ? ? ? ? ? ? 1.446 ? covale2 covale one ? B ASN 60 ND2 ? ? ? 1_555 L NAG . C1 ? ? B ASN 297 B NAG 501 1_555 ? ? ? ? ? ? ? 1.457 ? covale3 covale both ? C NAG . O4 ? ? ? 1_555 D NAG . C1 ? ? A NAG 501 A NAG 502 1_555 ? ? ? ? ? ? ? 1.465 ? covale4 covale one ? C NAG . O6 ? ? ? 1_555 J FUC . C1 ? ? A NAG 501 A FUC 508 1_555 ? ? ? ? ? ? ? 1.452 ? covale5 covale both ? D NAG . O4 ? ? ? 1_555 E BMA . C1 ? ? A NAG 502 A BMA 503 1_555 ? ? ? ? ? ? ? 1.453 ? covale6 covale one ? E BMA . O3 ? ? ? 1_555 F MAN . C1 ? ? A BMA 503 A MAN 504 1_555 ? ? ? ? ? ? ? 1.450 ? covale7 covale one ? E BMA . O6 ? ? ? 1_555 H MAN . C1 ? ? A BMA 503 A MAN 506 1_555 ? ? ? ? ? ? ? 1.446 ? covale8 covale one ? F MAN . O2 ? ? ? 1_555 G NAG . C1 ? ? A MAN 504 A NAG 505 1_555 ? ? ? ? ? ? ? 1.436 ? covale9 covale one ? H MAN . O2 ? ? ? 1_555 I NAG . C1 ? ? A MAN 506 A NAG 507 1_555 ? ? ? ? ? ? ? 1.453 ? covale10 covale both ? L NAG . O4 ? ? ? 1_555 M NAG . C1 ? ? B NAG 501 B NAG 502 1_555 ? ? ? ? ? ? ? 1.456 ? covale11 covale one ? L NAG . O6 ? ? ? 1_555 S FUC . C1 ? ? B NAG 501 B FUC 508 1_555 ? ? ? ? ? ? ? 1.447 ? covale12 covale both ? M NAG . O4 ? ? ? 1_555 N BMA . C1 ? ? B NAG 502 B BMA 503 1_555 ? ? ? ? ? ? ? 1.448 ? covale13 covale one ? N BMA . O3 ? ? ? 1_555 O MAN . C1 ? ? B BMA 503 B MAN 504 1_555 ? ? ? ? ? ? ? 1.441 ? covale14 covale one ? N BMA . O6 ? ? ? 1_555 Q MAN . C1 ? ? B BMA 503 B MAN 506 1_555 ? ? ? ? ? ? ? 1.453 ? covale15 covale one ? O MAN . O2 ? ? ? 1_555 P NAG . C1 ? ? B MAN 504 B NAG 505 1_555 ? ? ? ? ? ? ? 1.433 ? covale16 covale one ? Q MAN . O2 ? ? ? 1_555 R NAG . C1 ? ? B MAN 506 B NAG 507 1_555 ? ? ? ? ? ? ? 1.449 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 TYR 136 A . ? TYR 373 A PRO 137 A ? PRO 374 A 1 -3.28 2 TYR 136 B . ? TYR 373 B PRO 137 B ? PRO 374 B 1 -7.40 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 2 ? AA2 ? 4 ? AA3 ? 4 ? AA4 ? 4 ? AA5 ? 4 ? AA6 ? 2 ? AA7 ? 4 ? AA8 ? 4 ? AA9 ? 4 ? AB1 ? 4 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense AA1 1 2 ? anti-parallel AA2 1 2 ? anti-parallel AA2 2 3 ? anti-parallel AA2 3 4 ? anti-parallel AA3 1 2 ? anti-parallel AA3 2 3 ? anti-parallel AA3 3 4 ? anti-parallel AA4 1 2 ? anti-parallel AA4 2 3 ? anti-parallel AA4 3 4 ? anti-parallel AA5 1 2 ? anti-parallel AA5 2 3 ? anti-parallel AA5 3 4 ? anti-parallel AA6 1 2 ? anti-parallel AA7 1 2 ? anti-parallel AA7 2 3 ? anti-parallel AA7 3 4 ? anti-parallel AA8 1 2 ? anti-parallel AA8 2 3 ? anti-parallel AA8 3 4 ? anti-parallel AA9 1 2 ? anti-parallel AA9 2 3 ? anti-parallel AA9 3 4 ? anti-parallel AB1 1 2 ? anti-parallel AB1 2 3 ? anti-parallel AB1 3 4 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id AA1 1 GLU A 21 ? SER A 30 ? GLU A 258 SER A 267 AA1 2 THR A 62 ? THR A 70 ? THR A 299 THR A 307 AA2 1 VAL A 45 ? VAL A 47 ? VAL A 282 VAL A 284 AA2 2 LYS A 37 ? VAL A 42 ? LYS A 274 VAL A 279 AA2 3 TYR A 82 ? SER A 87 ? TYR A 319 SER A 324 AA2 4 ILE A 95 ? ILE A 99 ? ILE A 332 ILE A 336 AA3 1 GLN A 110 ? LEU A 114 ? GLN A 347 LEU A 351 AA3 2 GLN A 125 ? PHE A 135 ? GLN A 362 PHE A 372 AA3 3 PHE A 167 ? ASP A 176 ? PHE A 404 ASP A 413 AA3 4 TYR A 154 ? THR A 156 ? TYR A 391 THR A 393 AA4 1 GLN A 110 ? LEU A 114 ? GLN A 347 LEU A 351 AA4 2 GLN A 125 ? PHE A 135 ? GLN A 362 PHE A 372 AA4 3 PHE A 167 ? ASP A 176 ? PHE A 404 ASP A 413 AA4 4 VAL A 160 ? LEU A 161 ? VAL A 397 LEU A 398 AA5 1 GLN A 149 ? PRO A 150 ? GLN A 386 PRO A 387 AA5 2 ALA A 141 ? SER A 146 ? ALA A 378 SER A 383 AA5 3 PHE A 186 ? MET A 191 ? PHE A 423 MET A 428 AA5 4 THR A 200 ? LEU A 204 ? THR A 437 LEU A 441 AA6 1 GLU B 21 ? VAL B 29 ? GLU B 258 VAL B 266 AA6 2 TYR B 63 ? THR B 70 ? TYR B 300 THR B 307 AA7 1 VAL B 45 ? VAL B 47 ? VAL B 282 VAL B 284 AA7 2 LYS B 37 ? VAL B 42 ? LYS B 274 VAL B 279 AA7 3 GLU B 81 ? SER B 87 ? GLU B 318 SER B 324 AA7 4 ILE B 95 ? SER B 100 ? ILE B 332 SER B 337 AA8 1 GLN B 110 ? LEU B 114 ? GLN B 347 LEU B 351 AA8 2 GLN B 125 ? PHE B 135 ? GLN B 362 PHE B 372 AA8 3 PHE B 167 ? ASP B 176 ? PHE B 404 ASP B 413 AA8 4 TYR B 154 ? THR B 156 ? TYR B 391 THR B 393 AA9 1 GLN B 110 ? LEU B 114 ? GLN B 347 LEU B 351 AA9 2 GLN B 125 ? PHE B 135 ? GLN B 362 PHE B 372 AA9 3 PHE B 167 ? ASP B 176 ? PHE B 404 ASP B 413 AA9 4 VAL B 160 ? LEU B 161 ? VAL B 397 LEU B 398 AB1 1 GLN B 149 ? PRO B 150 ? GLN B 386 PRO B 387 AB1 2 ALA B 141 ? SER B 146 ? ALA B 378 SER B 383 AB1 3 PHE B 186 ? MET B 191 ? PHE B 423 MET B 428 AB1 4 THR B 200 ? LEU B 204 ? THR B 437 LEU B 441 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id AA1 1 2 N VAL A 22 ? N VAL A 259 O LEU A 69 ? O LEU A 306 AA2 1 2 O VAL A 45 ? O VAL A 282 N VAL A 42 ? N VAL A 279 AA2 2 3 N TYR A 41 ? N TYR A 278 O LYS A 83 ? O LYS A 320 AA2 3 4 N TYR A 82 ? N TYR A 319 O ILE A 99 ? O ILE A 336 AA3 1 2 N LEU A 114 ? N LEU A 351 O THR A 129 ? O THR A 366 AA3 2 3 N VAL A 126 ? N VAL A 363 O VAL A 175 ? O VAL A 412 AA3 3 4 O LYS A 172 ? O LYS A 409 N LYS A 155 ? N LYS A 392 AA4 1 2 N LEU A 114 ? N LEU A 351 O THR A 129 ? O THR A 366 AA4 2 3 N VAL A 126 ? N VAL A 363 O VAL A 175 ? O VAL A 412 AA4 3 4 O PHE A 168 ? O PHE A 405 N VAL A 160 ? N VAL A 397 AA5 1 2 O GLN A 149 ? O GLN A 386 N SER A 146 ? N SER A 383 AA5 2 3 N GLU A 143 ? N GLU A 380 O SER A 189 ? O SER A 426 AA5 3 4 N CYS A 188 ? N CYS A 425 O LYS A 202 ? O LYS A 439 AA6 1 2 N VAL B 22 ? N VAL B 259 O LEU B 69 ? O LEU B 306 AA7 1 2 O VAL B 45 ? O VAL B 282 N VAL B 42 ? N VAL B 279 AA7 2 3 N TYR B 41 ? N TYR B 278 O LYS B 83 ? O LYS B 320 AA7 3 4 N CYS B 84 ? N CYS B 321 O LYS B 97 ? O LYS B 334 AA8 1 2 N LEU B 114 ? N LEU B 351 O THR B 129 ? O THR B 366 AA8 2 3 N VAL B 126 ? N VAL B 363 O VAL B 175 ? O VAL B 412 AA8 3 4 O LYS B 172 ? O LYS B 409 N LYS B 155 ? N LYS B 392 AA9 1 2 N LEU B 114 ? N LEU B 351 O THR B 129 ? O THR B 366 AA9 2 3 N VAL B 126 ? N VAL B 363 O VAL B 175 ? O VAL B 412 AA9 3 4 O PHE B 168 ? O PHE B 405 N VAL B 160 ? N VAL B 397 AB1 1 2 O GLN B 149 ? O GLN B 386 N SER B 146 ? N SER B 383 AB1 2 3 N GLU B 143 ? N GLU B 380 O SER B 189 ? O SER B 426 AB1 3 4 N CYS B 188 ? N CYS B 425 O LYS B 202 ? O LYS B 439 # 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 EDO 509 ? 6 'binding site for residue EDO A 509' AC2 Software B EDO 509 ? 5 'binding site for residue EDO B 509' AC3 Software B EDO 510 ? 3 'binding site for residue EDO B 510' AC4 Software A ASN 297 ? 11 'binding site for Poly-Saccharide residues NAG A 501 through FUC A 508 bound to ASN A 297' AC5 Software B ASN 297 ? 9 'binding site for Poly-Saccharide residues NAG B 501 through FUC B 508 bound to ASN B 297' # 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 6 ASP A 162 ? ASP A 399 . ? 1_555 ? 2 AC1 6 SER A 163 ? SER A 400 . ? 1_555 ? 3 AC1 6 ASP A 164 ? ASP A 401 . ? 1_555 ? 4 AC1 6 GLN B 125 ? GLN B 362 . ? 1_555 ? 5 AC1 6 ASN B 153 ? ASN B 390 . ? 1_555 ? 6 AC1 6 THR B 174 ? THR B 411 . ? 1_555 ? 7 AC2 5 SER B 138 ? SER B 375 . ? 1_555 ? 8 AC2 5 ILE B 140 ? ILE B 377 . ? 1_555 ? 9 AC2 5 THR B 156 ? THR B 393 . ? 1_555 ? 10 AC2 5 THR B 157 ? THR B 394 . ? 1_555 ? 11 AC2 5 HOH W . ? HOH B 609 . ? 1_555 ? 12 AC3 3 SER B 2 ? SER B 239 . ? 1_555 ? 13 AC3 3 ILE B 95 ? ILE B 332 . ? 1_555 ? 14 AC3 3 LYS B 97 ? LYS B 334 . ? 1_555 ? 15 AC4 11 PHE A 4 ? PHE A 241 . ? 1_555 ? 16 AC4 11 LYS A 9 ? LYS A 246 . ? 1_555 ? 17 AC4 11 THR A 23 ? THR A 260 . ? 1_555 ? 18 AC4 11 VAL A 27 ? VAL A 264 . ? 1_555 ? 19 AC4 11 ASP A 28 ? ASP A 265 . ? 1_555 ? 20 AC4 11 ASN A 60 ? ASN A 297 . ? 1_555 ? 21 AC4 11 THR A 62 ? THR A 299 . ? 1_555 ? 22 AC4 11 ARG A 64 ? ARG A 301 . ? 1_555 ? 23 AC4 11 ASN B 147 ? ASN B 384 . ? 3_445 ? 24 AC4 11 BMA N . ? BMA B 503 . ? 1_555 ? 25 AC4 11 MAN O . ? MAN B 504 . ? 1_555 ? 26 AC5 9 ASN A 147 ? ASN A 384 . ? 3_455 ? 27 AC5 9 MAN F . ? MAN A 504 . ? 1_555 ? 28 AC5 9 PHE B 4 ? PHE B 241 . ? 1_555 ? 29 AC5 9 PHE B 6 ? PHE B 243 . ? 1_555 ? 30 AC5 9 LYS B 9 ? LYS B 246 . ? 1_555 ? 31 AC5 9 THR B 23 ? THR B 260 . ? 1_555 ? 32 AC5 9 VAL B 25 ? VAL B 262 . ? 1_555 ? 33 AC5 9 VAL B 27 ? VAL B 264 . ? 1_555 ? 34 AC5 9 ASN B 60 ? ASN B 297 . ? 1_555 ? # _atom_sites.entry_id 4WI4 _atom_sites.fract_transf_matrix[1][1] 0.020344 _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] 0.012640 _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] 0.007082 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . VAL A 1 3 ? -13.604 -8.217 6.371 1.00 91.75 ? 240 VAL A N 1 ATOM 2 C CA . VAL A 1 3 ? -12.778 -9.035 7.260 1.00 130.65 ? 240 VAL A CA 1 ATOM 3 C C . VAL A 1 3 ? -12.724 -8.480 8.722 1.00 99.81 ? 240 VAL A C 1 ATOM 4 O O . VAL A 1 3 ? -12.603 -7.266 8.950 1.00 104.68 ? 240 VAL A O 1 ATOM 5 C CB . VAL A 1 3 ? -11.339 -9.152 6.700 1.00 122.43 ? 240 VAL A CB 1 ATOM 6 C CG1 . VAL A 1 3 ? -10.469 -8.281 7.467 1.00 138.27 ? 240 VAL A CG1 1 ATOM 7 C CG2 . VAL A 1 3 ? -10.804 -10.433 6.925 1.00 119.00 ? 240 VAL A CG2 1 ATOM 8 N N . PHE A 1 4 ? -12.884 -9.356 9.713 1.00 84.34 ? 241 PHE A N 1 ATOM 9 C CA . PHE A 1 4 ? -12.897 -8.921 11.115 1.00 103.71 ? 241 PHE A CA 1 ATOM 10 C C . PHE A 1 4 ? -11.890 -9.642 12.019 1.00 122.78 ? 241 PHE A C 1 ATOM 11 O O . PHE A 1 4 ? -11.446 -10.749 11.715 1.00 127.97 ? 241 PHE A O 1 ATOM 12 C CB . PHE A 1 4 ? -14.303 -9.061 11.694 1.00 102.68 ? 241 PHE A CB 1 ATOM 13 C CG . PHE A 1 4 ? -15.329 -8.212 11.000 1.00 122.32 ? 241 PHE A CG 1 ATOM 14 C CD1 . PHE A 1 4 ? -15.117 -6.853 10.814 1.00 138.47 ? 241 PHE A CD1 1 ATOM 15 C CD2 . PHE A 1 4 ? -16.496 -8.774 10.520 1.00 113.33 ? 241 PHE A CD2 1 ATOM 16 C CE1 . PHE A 1 4 ? -16.064 -6.070 10.174 1.00 131.76 ? 241 PHE A CE1 1 ATOM 17 C CE2 . PHE A 1 4 ? -17.433 -7.998 9.877 1.00 124.72 ? 241 PHE A CE2 1 ATOM 18 C CZ . PHE A 1 4 ? -17.220 -6.648 9.704 1.00 126.15 ? 241 PHE A CZ 1 ATOM 19 N N . LEU A 1 5 ? -11.549 -9.011 13.142 1.00 106.06 ? 242 LEU A N 1 ATOM 20 C CA . LEU A 1 5 ? -10.511 -9.525 14.029 1.00 57.70 ? 242 LEU A CA 1 ATOM 21 C C . LEU A 1 5 ? -10.871 -9.375 15.505 1.00 50.51 ? 242 LEU A C 1 ATOM 22 O O . LEU A 1 5 ? -11.063 -8.257 15.987 1.00 112.34 ? 242 LEU A O 1 ATOM 23 C CB . LEU A 1 5 ? -9.203 -8.801 13.746 1.00 52.43 ? 242 LEU A CB 1 ATOM 24 C CG . LEU A 1 5 ? -7.967 -9.464 14.354 1.00 109.05 ? 242 LEU A CG 1 ATOM 25 C CD1 . LEU A 1 5 ? -7.752 -10.873 13.789 1.00 97.62 ? 242 LEU A CD1 1 ATOM 26 C CD2 . LEU A 1 5 ? -6.743 -8.614 14.110 1.00 122.44 ? 242 LEU A CD2 1 ATOM 27 N N . PHE A 1 6 ? -10.953 -10.498 16.223 1.00 73.49 ? 243 PHE A N 1 ATOM 28 C CA . PHE A 1 6 ? -11.511 -10.527 17.588 1.00 69.71 ? 243 PHE A CA 1 ATOM 29 C C . PHE A 1 6 ? -10.491 -10.941 18.629 1.00 70.71 ? 243 PHE A C 1 ATOM 30 O O . PHE A 1 6 ? -9.795 -11.936 18.459 1.00 89.46 ? 243 PHE A O 1 ATOM 31 C CB . PHE A 1 6 ? -12.713 -11.486 17.675 1.00 89.03 ? 243 PHE A CB 1 ATOM 32 C CG . PHE A 1 6 ? -13.751 -11.250 16.622 1.00 91.90 ? 243 PHE A CG 1 ATOM 33 C CD1 . PHE A 1 6 ? -14.838 -10.442 16.872 1.00 78.88 ? 243 PHE A CD1 1 ATOM 34 C CD2 . PHE A 1 6 ? -13.620 -11.814 15.369 1.00 99.18 ? 243 PHE A CD2 1 ATOM 35 C CE1 . PHE A 1 6 ? -15.772 -10.210 15.895 1.00 109.45 ? 243 PHE A CE1 1 ATOM 36 C CE2 . PHE A 1 6 ? -14.551 -11.581 14.394 1.00 111.53 ? 243 PHE A CE2 1 ATOM 37 C CZ . PHE A 1 6 ? -15.629 -10.785 14.655 1.00 111.43 ? 243 PHE A CZ 1 ATOM 38 N N . PRO A 1 7 ? -10.430 -10.197 19.735 1.00 64.93 ? 244 PRO A N 1 ATOM 39 C CA . PRO A 1 7 ? -9.560 -10.470 20.877 1.00 72.15 ? 244 PRO A CA 1 ATOM 40 C C . PRO A 1 7 ? -9.942 -11.764 21.564 1.00 54.39 ? 244 PRO A C 1 ATOM 41 O O . PRO A 1 7 ? -11.068 -12.210 21.439 1.00 67.48 ? 244 PRO A O 1 ATOM 42 C CB . PRO A 1 7 ? -9.889 -9.322 21.829 1.00 51.13 ? 244 PRO A CB 1 ATOM 43 C CG . PRO A 1 7 ? -11.271 -8.989 21.512 1.00 66.90 ? 244 PRO A CG 1 ATOM 44 C CD . PRO A 1 7 ? -11.329 -9.076 20.014 1.00 67.62 ? 244 PRO A CD 1 ATOM 45 N N . PRO A 1 8 ? -9.012 -12.353 22.314 1.00 55.32 ? 245 PRO A N 1 ATOM 46 C CA . PRO A 1 8 ? -9.356 -13.472 23.183 1.00 34.04 ? 245 PRO A CA 1 ATOM 47 C C . PRO A 1 8 ? -10.302 -12.997 24.259 1.00 36.43 ? 245 PRO A C 1 ATOM 48 O O . PRO A 1 8 ? -10.366 -11.809 24.553 1.00 63.01 ? 245 PRO A O 1 ATOM 49 C CB . PRO A 1 8 ? -8.011 -13.817 23.833 1.00 53.80 ? 245 PRO A CB 1 ATOM 50 C CG . PRO A 1 8 ? -7.249 -12.543 23.815 1.00 60.55 ? 245 PRO A CG 1 ATOM 51 C CD . PRO A 1 8 ? -7.614 -11.931 22.497 1.00 54.39 ? 245 PRO A CD 1 ATOM 52 N N . LYS A 1 9 ? -11.041 -13.918 24.844 1.00 49.28 ? 246 LYS A N 1 ATOM 53 C CA . LYS A 1 9 ? -11.922 -13.592 25.940 1.00 53.59 ? 246 LYS A CA 1 ATOM 54 C C . LYS A 1 9 ? -11.061 -13.190 27.121 1.00 36.09 ? 246 LYS A C 1 ATOM 55 O O . LYS A 1 9 ? -9.972 -13.684 27.267 1.00 62.96 ? 246 LYS A O 1 ATOM 56 C CB . LYS A 1 9 ? -12.764 -14.816 26.295 1.00 82.43 ? 246 LYS A CB 1 ATOM 57 C CG . LYS A 1 9 ? -14.186 -14.782 25.774 1.00 83.84 ? 246 LYS A CG 1 ATOM 58 C CD . LYS A 1 9 ? -14.219 -14.606 24.271 1.00 99.11 ? 246 LYS A CD 1 ATOM 59 C CE . LYS A 1 9 ? -15.458 -13.838 23.856 1.00 107.74 ? 246 LYS A CE 1 ATOM 60 N NZ . LYS A 1 9 ? -15.077 -12.775 22.876 1.00 92.90 ? 246 LYS A NZ 1 ATOM 61 N N . PRO A 1 10 ? -11.538 -12.275 27.958 1.00 59.84 ? 247 PRO A N 1 ATOM 62 C CA . PRO A 1 10 ? -10.747 -11.870 29.125 1.00 59.27 ? 247 PRO A CA 1 ATOM 63 C C . PRO A 1 10 ? -10.320 -13.065 29.971 1.00 51.92 ? 247 PRO A C 1 ATOM 64 O O . PRO A 1 10 ? -9.149 -13.249 30.269 1.00 62.30 ? 247 PRO A O 1 ATOM 65 C CB . PRO A 1 10 ? -11.723 -11.001 29.921 1.00 55.63 ? 247 PRO A CB 1 ATOM 66 C CG . PRO A 1 10 ? -12.622 -10.416 28.880 1.00 80.79 ? 247 PRO A CG 1 ATOM 67 C CD . PRO A 1 10 ? -12.729 -11.429 27.765 1.00 63.32 ? 247 PRO A CD 1 ATOM 68 N N . LYS A 1 11 ? -11.283 -13.895 30.321 1.00 63.86 ? 248 LYS A N 1 ATOM 69 C CA . LYS A 1 11 ? -11.056 -15.015 31.217 1.00 69.74 ? 248 LYS A CA 1 ATOM 70 C C . LYS A 1 11 ? -9.958 -15.965 30.708 1.00 79.84 ? 248 LYS A C 1 ATOM 71 O O . LYS A 1 11 ? -9.247 -16.574 31.509 1.00 75.31 ? 248 LYS A O 1 ATOM 72 C CB . LYS A 1 11 ? -12.374 -15.766 31.367 1.00 73.94 ? 248 LYS A CB 1 ATOM 73 C CG . LYS A 1 11 ? -12.684 -16.220 32.765 1.00 58.63 ? 248 LYS A CG 1 ATOM 74 C CD . LYS A 1 11 ? -13.994 -17.015 32.813 1.00 50.93 ? 248 LYS A CD 1 ATOM 75 C CE . LYS A 1 11 ? -14.315 -17.440 34.243 1.00 79.20 ? 248 LYS A CE 1 ATOM 76 N NZ . LYS A 1 11 ? -14.680 -18.889 34.367 1.00 95.20 ? 248 LYS A NZ 1 ATOM 77 N N . ASP A 1 12 ? -9.834 -16.085 29.382 1.00 66.61 ? 249 ASP A N 1 ATOM 78 C CA . ASP A 1 12 ? -8.880 -16.991 28.734 1.00 65.09 ? 249 ASP A CA 1 ATOM 79 C C . ASP A 1 12 ? -7.449 -16.587 29.021 1.00 70.35 ? 249 ASP A C 1 ATOM 80 O O . ASP A 1 12 ? -6.589 -17.424 29.273 1.00 96.76 ? 249 ASP A O 1 ATOM 81 C CB . ASP A 1 12 ? -9.040 -16.933 27.227 1.00 84.39 ? 249 ASP A CB 1 ATOM 82 C CG . ASP A 1 12 ? -10.274 -17.616 26.749 1.00 91.44 ? 249 ASP A CG 1 ATOM 83 O OD1 . ASP A 1 12 ? -10.902 -18.343 27.549 1.00 70.05 ? 249 ASP A OD1 1 ATOM 84 O OD2 . ASP A 1 12 ? -10.595 -17.422 25.561 1.00 36.39 ? 249 ASP A OD2 1 ATOM 85 N N . THR A 1 13 ? -7.201 -15.289 28.957 1.00 73.31 ? 250 THR A N 1 ATOM 86 C CA . THR A 1 13 ? -5.859 -14.761 29.090 1.00 58.80 ? 250 THR A CA 1 ATOM 87 C C . THR A 1 13 ? -5.389 -14.713 30.540 1.00 56.11 ? 250 THR A C 1 ATOM 88 O O . THR A 1 13 ? -4.210 -14.923 30.818 1.00 93.12 ? 250 THR A O 1 ATOM 89 C CB . THR A 1 13 ? -5.778 -13.376 28.482 1.00 40.21 ? 250 THR A CB 1 ATOM 90 O OG1 . THR A 1 13 ? -6.717 -12.522 29.136 1.00 67.67 ? 250 THR A OG1 1 ATOM 91 C CG2 . THR A 1 13 ? -6.109 -13.405 27.016 1.00 33.08 ? 250 THR A CG2 1 ATOM 92 N N . LEU A 1 14 ? -6.303 -14.463 31.464 1.00 35.92 ? 251 LEU A N 1 ATOM 93 C CA . LEU A 1 14 ? -5.955 -14.377 32.878 1.00 51.38 ? 251 LEU A CA 1 ATOM 94 C C . LEU A 1 14 ? -6.067 -15.680 33.659 1.00 55.33 ? 251 LEU A C 1 ATOM 95 O O . LEU A 1 14 ? -6.174 -15.648 34.882 1.00 71.16 ? 251 LEU A O 1 ATOM 96 C CB . LEU A 1 14 ? -6.860 -13.375 33.567 1.00 49.88 ? 251 LEU A CB 1 ATOM 97 C CG . LEU A 1 14 ? -7.411 -12.263 32.691 1.00 65.80 ? 251 LEU A CG 1 ATOM 98 C CD1 . LEU A 1 14 ? -8.737 -11.791 33.258 1.00 49.41 ? 251 LEU A CD1 1 ATOM 99 C CD2 . LEU A 1 14 ? -6.413 -11.121 32.573 1.00 48.71 ? 251 LEU A CD2 1 ATOM 100 N N . MET A 1 15 ? -6.081 -16.813 32.967 1.00 52.39 ? 252 MET A N 1 ATOM 101 C CA . MET A 1 15 ? -6.124 -18.105 33.630 1.00 52.71 ? 252 MET A CA 1 ATOM 102 C C . MET A 1 15 ? -5.185 -18.995 32.860 1.00 80.48 ? 252 MET A C 1 ATOM 103 O O . MET A 1 15 ? -5.432 -19.294 31.694 1.00 65.55 ? 252 MET A O 1 ATOM 104 C CB . MET A 1 15 ? -7.533 -18.684 33.605 1.00 67.57 ? 252 MET A CB 1 ATOM 105 C CG . MET A 1 15 ? -8.469 -18.145 34.682 1.00 63.47 ? 252 MET A CG 1 ATOM 106 S SD . MET A 1 15 ? -10.086 -18.916 34.600 1.00 151.00 ? 252 MET A SD 1 ATOM 107 C CE . MET A 1 15 ? -9.681 -20.663 34.834 1.00 116.74 ? 252 MET A CE 1 ATOM 108 N N . ILE A 1 16 ? -4.108 -19.411 33.515 1.00 74.15 ? 253 ILE A N 1 ATOM 109 C CA . ILE A 1 16 ? -3.027 -20.071 32.825 1.00 58.14 ? 253 ILE A CA 1 ATOM 110 C C . ILE A 1 16 ? -3.537 -21.343 32.186 1.00 60.96 ? 253 ILE A C 1 ATOM 111 O O . ILE A 1 16 ? -3.137 -21.691 31.087 1.00 59.99 ? 253 ILE A O 1 ATOM 112 C CB . ILE A 1 16 ? -1.833 -20.327 33.778 1.00 77.11 ? 253 ILE A CB 1 ATOM 113 C CG1 . ILE A 1 16 ? -0.705 -21.031 33.029 1.00 70.99 ? 253 ILE A CG1 1 ATOM 114 C CG2 . ILE A 1 16 ? -2.271 -21.098 35.010 1.00 78.49 ? 253 ILE A CG2 1 ATOM 115 C CD1 . ILE A 1 16 ? -0.263 -20.274 31.794 1.00 63.44 ? 253 ILE A CD1 1 ATOM 116 N N . ALA A 1 17 ? -4.479 -21.985 32.865 1.00 70.22 ? 254 ALA A N 1 ATOM 117 C CA . ALA A 1 17 ? -5.083 -23.250 32.417 1.00 65.63 ? 254 ALA A CA 1 ATOM 118 C C . ALA A 1 17 ? -5.918 -23.201 31.125 1.00 47.04 ? 254 ALA A C 1 ATOM 119 O O . ALA A 1 17 ? -6.104 -24.217 30.475 1.00 70.08 ? 254 ALA A O 1 ATOM 120 C CB . ALA A 1 17 ? -5.895 -23.865 33.537 1.00 57.46 ? 254 ALA A CB 1 ATOM 121 N N . ARG A 1 18 ? -6.396 -22.027 30.740 1.00 68.12 ? 255 ARG A N 1 ATOM 122 C CA . ARG A 1 18 ? -7.214 -21.886 29.534 1.00 74.86 ? 255 ARG A CA 1 ATOM 123 C C . ARG A 1 18 ? -6.435 -21.470 28.305 1.00 63.72 ? 255 ARG A C 1 ATOM 124 O O . ARG A 1 18 ? -5.250 -21.176 28.389 1.00 77.06 ? 255 ARG A O 1 ATOM 125 C CB . ARG A 1 18 ? -8.281 -20.851 29.776 1.00 50.21 ? 255 ARG A CB 1 ATOM 126 C CG . ARG A 1 18 ? -8.906 -21.010 31.132 1.00 79.86 ? 255 ARG A CG 1 ATOM 127 C CD . ARG A 1 18 ? -10.142 -20.189 31.187 1.00 81.36 ? 255 ARG A CD 1 ATOM 128 N NE . ARG A 1 18 ? -10.761 -20.201 29.874 1.00 95.80 ? 255 ARG A NE 1 ATOM 129 C CZ . ARG A 1 18 ? -12.035 -20.477 29.684 1.00 97.38 ? 255 ARG A CZ 1 ATOM 130 N NH1 . ARG A 1 18 ? -12.791 -20.733 30.735 1.00 60.36 ? 255 ARG A NH1 1 ATOM 131 N NH2 . ARG A 1 18 ? -12.549 -20.478 28.463 1.00 140.87 ? 255 ARG A NH2 1 ATOM 132 N N . THR A 1 19 ? -7.106 -21.403 27.166 1.00 49.39 ? 256 THR A N 1 ATOM 133 C CA . THR A 1 19 ? -6.408 -21.227 25.898 1.00 66.90 ? 256 THR A CA 1 ATOM 134 C C . THR A 1 19 ? -6.976 -20.055 25.127 1.00 78.60 ? 256 THR A C 1 ATOM 135 O O . THR A 1 19 ? -7.958 -20.197 24.401 1.00 102.95 ? 256 THR A O 1 ATOM 136 C CB . THR A 1 19 ? -6.493 -22.500 25.042 1.00 66.90 ? 256 THR A CB 1 ATOM 137 O OG1 . THR A 1 19 ? -5.758 -23.544 25.685 1.00 63.17 ? 256 THR A OG1 1 ATOM 138 C CG2 . THR A 1 19 ? -5.923 -22.274 23.655 1.00 58.44 ? 256 THR A CG2 1 ATOM 139 N N . PRO A 1 20 ? -6.354 -18.877 25.291 1.00 94.25 ? 257 PRO A N 1 ATOM 140 C CA . PRO A 1 20 ? -6.805 -17.647 24.627 1.00 81.68 ? 257 PRO A CA 1 ATOM 141 C C . PRO A 1 20 ? -6.468 -17.663 23.135 1.00 57.75 ? 257 PRO A C 1 ATOM 142 O O . PRO A 1 20 ? -5.426 -18.161 22.743 1.00 51.92 ? 257 PRO A O 1 ATOM 143 C CB . PRO A 1 20 ? -6.020 -16.569 25.351 1.00 74.01 ? 257 PRO A CB 1 ATOM 144 C CG . PRO A 1 20 ? -4.768 -17.271 25.816 1.00 66.68 ? 257 PRO A CG 1 ATOM 145 C CD . PRO A 1 20 ? -5.177 -18.654 26.153 1.00 79.93 ? 257 PRO A CD 1 ATOM 146 N N . GLU A 1 21 ? -7.361 -17.168 22.298 1.00 48.13 ? 258 GLU A N 1 ATOM 147 C CA . GLU A 1 21 ? -7.102 -17.247 20.875 1.00 66.84 ? 258 GLU A CA 1 ATOM 148 C C . GLU A 1 21 ? -7.771 -16.133 20.112 1.00 67.15 ? 258 GLU A C 1 ATOM 149 O O . GLU A 1 21 ? -8.939 -15.833 20.334 1.00 98.42 ? 258 GLU A O 1 ATOM 150 C CB . GLU A 1 21 ? -7.523 -18.613 20.324 1.00 62.61 ? 258 GLU A CB 1 ATOM 151 C CG . GLU A 1 21 ? -8.948 -19.064 20.715 1.00 97.70 ? 258 GLU A CG 1 ATOM 152 C CD . GLU A 1 21 ? -9.183 -20.576 20.550 1.00 109.81 ? 258 GLU A CD 1 ATOM 153 O OE1 . GLU A 1 21 ? -9.746 -21.192 21.477 1.00 105.77 ? 258 GLU A OE1 1 ATOM 154 O OE2 . GLU A 1 21 ? -8.823 -21.146 19.500 1.00 73.77 ? 258 GLU A OE2 1 ATOM 155 N N . VAL A 1 22 ? -7.018 -15.515 19.212 1.00 56.28 ? 259 VAL A N 1 ATOM 156 C CA . VAL A 1 22 ? -7.581 -14.482 18.363 1.00 77.48 ? 259 VAL A CA 1 ATOM 157 C C . VAL A 1 22 ? -8.142 -15.125 17.108 1.00 75.57 ? 259 VAL A C 1 ATOM 158 O O . VAL A 1 22 ? -7.553 -16.029 16.532 1.00 104.79 ? 259 VAL A O 1 ATOM 159 C CB . VAL A 1 22 ? -6.588 -13.308 18.050 1.00 62.64 ? 259 VAL A CB 1 ATOM 160 C CG1 . VAL A 1 22 ? -5.606 -13.095 19.190 1.00 42.38 ? 259 VAL A CG1 1 ATOM 161 C CG2 . VAL A 1 22 ? -5.861 -13.529 16.780 1.00 70.32 ? 259 VAL A CG2 1 ATOM 162 N N . THR A 1 23 ? -9.317 -14.674 16.721 1.00 71.08 ? 260 THR A N 1 ATOM 163 C CA . THR A 1 23 ? -9.997 -15.211 15.576 1.00 75.93 ? 260 THR A CA 1 ATOM 164 C C . THR A 1 23 ? -9.984 -14.185 14.458 1.00 80.58 ? 260 THR A C 1 ATOM 165 O O . THR A 1 23 ? -10.158 -12.996 14.698 1.00 92.20 ? 260 THR A O 1 ATOM 166 C CB . THR A 1 23 ? -11.437 -15.494 15.958 1.00 84.17 ? 260 THR A CB 1 ATOM 167 O OG1 . THR A 1 23 ? -11.559 -15.347 17.383 1.00 88.25 ? 260 THR A OG1 1 ATOM 168 C CG2 . THR A 1 23 ? -11.820 -16.898 15.554 1.00 97.02 ? 260 THR A CG2 1 ATOM 169 N N . CYS A 1 24 ? -9.765 -14.647 13.238 1.00 96.16 ? 261 CYS A N 1 ATOM 170 C CA . CYS A 1 24 ? -9.813 -13.772 12.082 1.00 92.75 ? 261 CYS A CA 1 ATOM 171 C C . CYS A 1 24 ? -10.995 -14.198 11.230 1.00 109.55 ? 261 CYS A C 1 ATOM 172 O O . CYS A 1 24 ? -10.836 -14.950 10.270 1.00 135.94 ? 261 CYS A O 1 ATOM 173 C CB . CYS A 1 24 ? -8.524 -13.882 11.263 1.00 83.52 ? 261 CYS A CB 1 ATOM 174 S SG . CYS A 1 24 ? -8.306 -12.628 9.969 1.00 101.06 ? 261 CYS A SG 1 ATOM 175 N N . VAL A 1 25 ? -12.185 -13.729 11.587 1.00 100.12 ? 262 VAL A N 1 ATOM 176 C CA . VAL A 1 25 ? -13.382 -14.039 10.818 1.00 106.50 ? 262 VAL A CA 1 ATOM 177 C C . VAL A 1 25 ? -13.305 -13.333 9.457 1.00 99.12 ? 262 VAL A C 1 ATOM 178 O O . VAL A 1 25 ? -12.855 -12.207 9.418 1.00 80.59 ? 262 VAL A O 1 ATOM 179 C CB . VAL A 1 25 ? -14.651 -13.598 11.603 1.00 105.28 ? 262 VAL A CB 1 ATOM 180 C CG1 . VAL A 1 25 ? -15.844 -13.457 10.670 1.00 84.08 ? 262 VAL A CG1 1 ATOM 181 C CG2 . VAL A 1 25 ? -14.954 -14.582 12.726 1.00 81.32 ? 262 VAL A CG2 1 ATOM 182 N N . VAL A 1 26 ? -13.690 -13.988 8.354 1.00 111.76 ? 263 VAL A N 1 ATOM 183 C CA . VAL A 1 26 ? -13.914 -13.308 7.059 1.00 113.37 ? 263 VAL A CA 1 ATOM 184 C C . VAL A 1 26 ? -15.301 -13.525 6.500 1.00 133.47 ? 263 VAL A C 1 ATOM 185 O O . VAL A 1 26 ? -15.550 -14.528 5.813 1.00 125.23 ? 263 VAL A O 1 ATOM 186 C CB . VAL A 1 26 ? -13.008 -13.841 5.894 1.00 111.76 ? 263 VAL A CB 1 ATOM 187 C CG1 . VAL A 1 26 ? -11.774 -13.107 5.868 1.00 109.54 ? 263 VAL A CG1 1 ATOM 188 C CG2 . VAL A 1 26 ? -12.494 -15.129 6.153 1.00 145.24 ? 263 VAL A CG2 1 ATOM 189 N N . VAL A 1 27 ? -16.186 -12.574 6.743 1.00 144.25 ? 264 VAL A N 1 ATOM 190 C CA . VAL A 1 27 ? -17.510 -12.654 6.179 1.00 138.73 ? 264 VAL A CA 1 ATOM 191 C C . VAL A 1 27 ? -17.445 -12.127 4.758 1.00 165.49 ? 264 VAL A C 1 ATOM 192 O O . VAL A 1 27 ? -16.658 -11.218 4.440 1.00 168.03 ? 264 VAL A O 1 ATOM 193 C CB . VAL A 1 27 ? -18.511 -11.908 7.063 1.00 129.12 ? 264 VAL A CB 1 ATOM 194 C CG1 . VAL A 1 27 ? -18.129 -12.124 8.499 1.00 128.24 ? 264 VAL A CG1 1 ATOM 195 C CG2 . VAL A 1 27 ? -18.518 -10.432 6.764 1.00 122.64 ? 264 VAL A CG2 1 ATOM 196 N N . ASP A 1 28 ? -18.212 -12.755 3.883 1.00 188.98 ? 265 ASP A N 1 ATOM 197 C CA . ASP A 1 28 ? -18.287 -12.286 2.505 1.00 198.58 ? 265 ASP A CA 1 ATOM 198 C C . ASP A 1 28 ? -17.050 -12.523 1.602 1.00 203.18 ? 265 ASP A C 1 ATOM 199 O O . ASP A 1 28 ? -16.390 -11.583 1.143 1.00 194.06 ? 265 ASP A O 1 ATOM 200 C CB . ASP A 1 28 ? -18.706 -10.810 2.394 1.00 191.97 ? 265 ASP A CB 1 ATOM 201 C CG . ASP A 1 28 ? -20.088 -10.515 2.995 1.00 186.24 ? 265 ASP A CG 1 ATOM 202 O OD1 . ASP A 1 28 ? -20.220 -10.421 4.242 1.00 184.56 ? 265 ASP A OD1 1 ATOM 203 O OD2 . ASP A 1 28 ? -21.025 -10.303 2.202 1.00 188.84 ? 265 ASP A OD2 1 ATOM 204 N N . VAL A 1 29 ? -16.793 -13.766 1.236 1.00 205.22 ? 266 VAL A N 1 ATOM 205 C CA . VAL A 1 29 ? -16.015 -13.996 0.002 1.00 208.23 ? 266 VAL A CA 1 ATOM 206 C C . VAL A 1 29 ? -17.029 -14.488 -1.014 1.00 206.75 ? 266 VAL A C 1 ATOM 207 O O . VAL A 1 29 ? -18.082 -14.898 -0.598 1.00 217.84 ? 266 VAL A O 1 ATOM 208 C CB . VAL A 1 29 ? -15.035 -15.064 0.235 1.00 196.20 ? 266 VAL A CB 1 ATOM 209 C CG1 . VAL A 1 29 ? -14.031 -15.069 -0.751 1.00 201.82 ? 266 VAL A CG1 1 ATOM 210 C CG2 . VAL A 1 29 ? -14.717 -14.988 1.659 1.00 193.46 ? 266 VAL A CG2 1 ATOM 211 N N . SER A 1 30 ? -16.754 -14.555 -2.316 1.00 198.90 ? 267 SER A N 1 ATOM 212 C CA . SER A 1 30 ? -17.841 -14.881 -3.310 1.00 187.35 ? 267 SER A CA 1 ATOM 213 C C . SER A 1 30 ? -17.580 -16.230 -3.959 1.00 207.27 ? 267 SER A C 1 ATOM 214 O O . SER A 1 30 ? -16.420 -16.571 -4.105 1.00 213.80 ? 267 SER A O 1 ATOM 215 C CB . SER A 1 30 ? -17.897 -13.897 -4.493 1.00 172.35 ? 267 SER A CB 1 ATOM 216 O OG . SER A 1 30 ? -16.783 -14.102 -5.360 1.00 163.50 ? 267 SER A OG 1 ATOM 217 N N . HIS A 1 31 ? -18.590 -16.990 -4.401 1.00 215.70 ? 268 HIS A N 1 ATOM 218 C CA . HIS A 1 31 ? -18.313 -18.320 -5.015 1.00 215.17 ? 268 HIS A CA 1 ATOM 219 C C . HIS A 1 31 ? -17.254 -18.245 -6.137 1.00 210.05 ? 268 HIS A C 1 ATOM 220 O O . HIS A 1 31 ? -16.361 -19.090 -6.212 1.00 206.18 ? 268 HIS A O 1 ATOM 221 C CB . HIS A 1 31 ? -19.579 -18.977 -5.586 1.00 218.60 ? 268 HIS A CB 1 ATOM 222 C CG . HIS A 1 31 ? -20.595 -19.349 -4.557 1.00 225.28 ? 268 HIS A CG 1 ATOM 223 N ND1 . HIS A 1 31 ? -20.736 -20.674 -4.095 1.00 231.62 ? 268 HIS A ND1 1 ATOM 224 C CD2 . HIS A 1 31 ? -21.579 -18.578 -3.942 1.00 230.48 ? 268 HIS A CD2 1 ATOM 225 C CE1 . HIS A 1 31 ? -21.735 -20.698 -3.238 1.00 227.05 ? 268 HIS A CE1 1 ATOM 226 N NE2 . HIS A 1 31 ? -22.215 -19.428 -3.088 1.00 219.91 ? 268 HIS A NE2 1 ATOM 227 N N . GLU A 1 32 ? -17.408 -17.244 -7.012 1.00 198.20 ? 269 GLU A N 1 ATOM 228 C CA . GLU A 1 32 ? -16.457 -16.872 -8.071 1.00 199.70 ? 269 GLU A CA 1 ATOM 229 C C . GLU A 1 32 ? -15.001 -17.193 -7.726 1.00 215.98 ? 269 GLU A C 1 ATOM 230 O O . GLU A 1 32 ? -14.343 -18.021 -8.375 1.00 197.65 ? 269 GLU A O 1 ATOM 231 C CB . GLU A 1 32 ? -16.559 -15.353 -8.303 1.00 192.39 ? 269 GLU A CB 1 ATOM 232 C CG . GLU A 1 32 ? -17.634 -14.818 -9.275 1.00 183.64 ? 269 GLU A CG 1 ATOM 233 C CD . GLU A 1 32 ? -19.061 -15.313 -9.041 1.00 172.26 ? 269 GLU A CD 1 ATOM 234 O OE1 . GLU A 1 32 ? -19.316 -16.075 -8.086 1.00 174.57 ? 269 GLU A OE1 1 ATOM 235 O OE2 . GLU A 1 32 ? -19.938 -14.933 -9.850 1.00 156.60 ? 269 GLU A OE2 1 ATOM 236 N N . ASP A 1 33 ? -14.523 -16.504 -6.691 1.00 228.59 ? 270 ASP A N 1 ATOM 237 C CA . ASP A 1 33 ? -13.155 -16.601 -6.194 1.00 229.43 ? 270 ASP A CA 1 ATOM 238 C C . ASP A 1 33 ? -13.178 -16.980 -4.705 1.00 225.86 ? 270 ASP A C 1 ATOM 239 O O . ASP A 1 33 ? -13.328 -16.105 -3.840 1.00 228.01 ? 270 ASP A O 1 ATOM 240 C CB . ASP A 1 33 ? -12.411 -15.266 -6.385 1.00 227.36 ? 270 ASP A CB 1 ATOM 241 C CG . ASP A 1 33 ? -11.965 -15.037 -7.814 1.00 232.66 ? 270 ASP A CG 1 ATOM 242 O OD1 . ASP A 1 33 ? -12.028 -15.990 -8.622 1.00 232.31 ? 270 ASP A OD1 1 ATOM 243 O OD2 . ASP A 1 33 ? -11.528 -13.907 -8.112 1.00 238.41 ? 270 ASP A OD2 1 ATOM 244 N N . PRO A 1 34 ? -13.015 -18.285 -4.407 1.00 223.47 ? 271 PRO A N 1 ATOM 245 C CA . PRO A 1 34 ? -13.210 -18.858 -3.064 1.00 221.14 ? 271 PRO A CA 1 ATOM 246 C C . PRO A 1 34 ? -12.064 -18.839 -2.098 1.00 226.41 ? 271 PRO A C 1 ATOM 247 O O . PRO A 1 34 ? -12.227 -18.822 -0.864 1.00 207.83 ? 271 PRO A O 1 ATOM 248 C CB . PRO A 1 34 ? -13.708 -20.283 -3.363 1.00 219.66 ? 271 PRO A CB 1 ATOM 249 C CG . PRO A 1 34 ? -13.102 -20.609 -4.649 1.00 218.27 ? 271 PRO A CG 1 ATOM 250 C CD . PRO A 1 34 ? -12.910 -19.332 -5.436 1.00 213.54 ? 271 PRO A CD 1 ATOM 251 N N . GLU A 1 35 ? -10.906 -18.773 -2.714 1.00 236.08 ? 272 GLU A N 1 ATOM 252 C CA . GLU A 1 35 ? -9.694 -19.182 -2.085 1.00 227.32 ? 272 GLU A CA 1 ATOM 253 C C . GLU A 1 35 ? -9.046 -18.080 -1.248 1.00 215.79 ? 272 GLU A C 1 ATOM 254 O O . GLU A 1 35 ? -9.016 -16.909 -1.643 1.00 214.46 ? 272 GLU A O 1 ATOM 255 C CB . GLU A 1 35 ? -8.736 -19.582 -3.157 1.00 245.45 ? 272 GLU A CB 1 ATOM 256 C CG . GLU A 1 35 ? -7.231 -19.474 -2.738 1.00 277.89 ? 272 GLU A CG 1 ATOM 257 C CD . GLU A 1 35 ? -6.512 -20.718 -3.160 1.00 283.25 ? 272 GLU A CD 1 ATOM 258 O OE1 . GLU A 1 35 ? -7.191 -21.761 -2.927 1.00 283.28 ? 272 GLU A OE1 1 ATOM 259 O OE2 . GLU A 1 35 ? -5.371 -20.659 -3.725 1.00 293.47 ? 272 GLU A OE2 1 ATOM 260 N N . VAL A 1 36 ? -8.600 -18.446 -0.044 1.00 215.03 ? 273 VAL A N 1 ATOM 261 C CA . VAL A 1 36 ? -8.027 -17.486 0.919 1.00 195.78 ? 273 VAL A CA 1 ATOM 262 C C . VAL A 1 36 ? -6.808 -18.014 1.697 1.00 177.15 ? 273 VAL A C 1 ATOM 263 O O . VAL A 1 36 ? -6.881 -19.070 2.324 1.00 197.07 ? 273 VAL A O 1 ATOM 264 C CB . VAL A 1 36 ? -9.064 -17.046 1.988 1.00 154.54 ? 273 VAL A CB 1 ATOM 265 C CG1 . VAL A 1 36 ? -9.100 -15.537 2.076 1.00 152.24 ? 273 VAL A CG1 1 ATOM 266 C CG2 . VAL A 1 36 ? -10.469 -17.611 1.691 1.00 154.73 ? 273 VAL A CG2 1 ATOM 267 N N . LYS A 1 37 ? -5.691 -17.288 1.671 1.00 128.62 ? 274 LYS A N 1 ATOM 268 C CA . LYS A 1 37 ? -4.510 -17.688 2.455 1.00 143.24 ? 274 LYS A CA 1 ATOM 269 C C . LYS A 1 37 ? -4.265 -16.786 3.659 1.00 146.29 ? 274 LYS A C 1 ATOM 270 O O . LYS A 1 37 ? -4.188 -15.564 3.524 1.00 149.23 ? 274 LYS A O 1 ATOM 271 C CB . LYS A 1 37 ? -3.250 -17.700 1.593 1.00 151.73 ? 274 LYS A CB 1 ATOM 272 C CG . LYS A 1 37 ? -1.962 -17.735 2.402 1.00 144.59 ? 274 LYS A CG 1 ATOM 273 C CD . LYS A 1 37 ? -0.767 -17.467 1.515 1.00 150.12 ? 274 LYS A CD 1 ATOM 274 C CE . LYS A 1 37 ? -0.972 -16.212 0.677 1.00 147.53 ? 274 LYS A CE 1 ATOM 275 N NZ . LYS A 1 37 ? -0.124 -15.081 1.134 1.00 132.26 ? 274 LYS A NZ 1 ATOM 276 N N . PHE A 1 38 ? -4.115 -17.390 4.833 1.00 137.01 ? 275 PHE A N 1 ATOM 277 C CA . PHE A 1 38 ? -3.974 -16.614 6.057 1.00 129.16 ? 275 PHE A CA 1 ATOM 278 C C . PHE A 1 38 ? -2.561 -16.576 6.606 1.00 142.10 ? 275 PHE A C 1 ATOM 279 O O . PHE A 1 38 ? -2.126 -17.504 7.287 1.00 160.25 ? 275 PHE A O 1 ATOM 280 C CB . PHE A 1 38 ? -4.906 -17.153 7.132 1.00 121.99 ? 275 PHE A CB 1 ATOM 281 C CG . PHE A 1 38 ? -6.349 -16.961 6.818 1.00 142.36 ? 275 PHE A CG 1 ATOM 282 C CD1 . PHE A 1 38 ? -6.751 -16.165 5.762 1.00 172.13 ? 275 PHE A CD1 1 ATOM 283 C CD2 . PHE A 1 38 ? -7.308 -17.583 7.573 1.00 157.56 ? 275 PHE A CD2 1 ATOM 284 C CE1 . PHE A 1 38 ? -8.098 -15.994 5.488 1.00 194.95 ? 275 PHE A CE1 1 ATOM 285 C CE2 . PHE A 1 38 ? -8.645 -17.423 7.312 1.00 176.94 ? 275 PHE A CE2 1 ATOM 286 C CZ . PHE A 1 38 ? -9.043 -16.628 6.269 1.00 197.68 ? 275 PHE A CZ 1 ATOM 287 N N . ASN A 1 39 ? -1.849 -15.498 6.306 1.00 146.22 ? 276 ASN A N 1 ATOM 288 C CA . ASN A 1 39 ? -0.546 -15.274 6.901 1.00 141.47 ? 276 ASN A CA 1 ATOM 289 C C . ASN A 1 39 ? -0.681 -14.475 8.198 1.00 140.77 ? 276 ASN A C 1 ATOM 290 O O . ASN A 1 39 ? -1.080 -13.303 8.191 1.00 128.85 ? 276 ASN A O 1 ATOM 291 C CB . ASN A 1 39 ? 0.387 -14.580 5.908 1.00 144.50 ? 276 ASN A CB 1 ATOM 292 C CG . ASN A 1 39 ? 0.693 -15.435 4.692 1.00 150.48 ? 276 ASN A CG 1 ATOM 293 O OD1 . ASN A 1 39 ? 0.811 -14.926 3.578 1.00 144.71 ? 276 ASN A OD1 1 ATOM 294 N ND2 . ASN A 1 39 ? 0.809 -16.739 4.897 1.00 154.06 ? 276 ASN A ND2 1 ATOM 295 N N . TRP A 1 40 ? -0.387 -15.136 9.312 1.00 132.24 ? 277 TRP A N 1 ATOM 296 C CA . TRP A 1 40 ? -0.463 -14.503 10.621 1.00 112.47 ? 277 TRP A CA 1 ATOM 297 C C . TRP A 1 40 ? 0.889 -13.926 10.962 1.00 114.75 ? 277 TRP A C 1 ATOM 298 O O . TRP A 1 40 ? 1.921 -14.476 10.592 1.00 143.47 ? 277 TRP A O 1 ATOM 299 C CB . TRP A 1 40 ? -0.899 -15.510 11.680 1.00 102.49 ? 277 TRP A CB 1 ATOM 300 C CG . TRP A 1 40 ? -2.327 -15.857 11.539 1.00 116.26 ? 277 TRP A CG 1 ATOM 301 C CD1 . TRP A 1 40 ? -2.875 -16.750 10.661 1.00 135.02 ? 277 TRP A CD1 1 ATOM 302 C CD2 . TRP A 1 40 ? -3.411 -15.297 12.273 1.00 95.28 ? 277 TRP A CD2 1 ATOM 303 N NE1 . TRP A 1 40 ? -4.240 -16.783 10.814 1.00 118.60 ? 277 TRP A NE1 1 ATOM 304 C CE2 . TRP A 1 40 ? -4.591 -15.897 11.800 1.00 98.25 ? 277 TRP A CE2 1 ATOM 305 C CE3 . TRP A 1 40 ? -3.500 -14.350 13.289 1.00 80.91 ? 277 TRP A CE3 1 ATOM 306 C CZ2 . TRP A 1 40 ? -5.837 -15.581 12.315 1.00 112.90 ? 277 TRP A CZ2 1 ATOM 307 C CZ3 . TRP A 1 40 ? -4.725 -14.036 13.786 1.00 82.28 ? 277 TRP A CZ3 1 ATOM 308 C CH2 . TRP A 1 40 ? -5.883 -14.646 13.305 1.00 112.80 ? 277 TRP A CH2 1 ATOM 309 N N . TYR A 1 41 ? 0.880 -12.787 11.633 1.00 87.52 ? 278 TYR A N 1 ATOM 310 C CA . TYR A 1 41 ? 2.105 -12.092 11.969 1.00 89.34 ? 278 TYR A CA 1 ATOM 311 C C . TYR A 1 41 ? 1.957 -11.644 13.404 1.00 90.89 ? 278 TYR A C 1 ATOM 312 O O . TYR A 1 41 ? 0.910 -11.128 13.792 1.00 95.45 ? 278 TYR A O 1 ATOM 313 C CB . TYR A 1 41 ? 2.323 -10.876 11.056 1.00 110.92 ? 278 TYR A CB 1 ATOM 314 C CG . TYR A 1 41 ? 2.517 -11.181 9.584 1.00 128.53 ? 278 TYR A CG 1 ATOM 315 C CD1 . TYR A 1 41 ? 1.489 -11.723 8.830 1.00 138.72 ? 278 TYR A CD1 1 ATOM 316 C CD2 . TYR A 1 41 ? 3.707 -10.872 8.934 1.00 124.18 ? 278 TYR A CD2 1 ATOM 317 C CE1 . TYR A 1 41 ? 1.650 -11.997 7.488 1.00 129.30 ? 278 TYR A CE1 1 ATOM 318 C CE2 . TYR A 1 41 ? 3.870 -11.134 7.582 1.00 139.33 ? 278 TYR A CE2 1 ATOM 319 C CZ . TYR A 1 41 ? 2.833 -11.699 6.869 1.00 147.22 ? 278 TYR A CZ 1 ATOM 320 O OH . TYR A 1 41 ? 2.967 -11.964 5.529 1.00 157.65 ? 278 TYR A OH 1 ATOM 321 N N . VAL A 1 42 ? 2.996 -11.856 14.200 1.00 86.76 ? 279 VAL A N 1 ATOM 322 C CA . VAL A 1 42 ? 2.965 -11.443 15.598 1.00 86.41 ? 279 VAL A CA 1 ATOM 323 C C . VAL A 1 42 ? 4.143 -10.537 15.920 1.00 115.13 ? 279 VAL A C 1 ATOM 324 O O . VAL A 1 42 ? 5.294 -10.974 15.891 1.00 110.74 ? 279 VAL A O 1 ATOM 325 C CB . VAL A 1 42 ? 3.001 -12.641 16.539 1.00 78.95 ? 279 VAL A CB 1 ATOM 326 C CG1 . VAL A 1 42 ? 3.105 -12.170 17.983 1.00 87.32 ? 279 VAL A CG1 1 ATOM 327 C CG2 . VAL A 1 42 ? 1.768 -13.518 16.336 1.00 62.11 ? 279 VAL A CG2 1 ATOM 328 N N . ASP A 1 43 ? 3.841 -9.278 16.236 1.00 112.26 ? 280 ASP A N 1 ATOM 329 C CA . ASP A 1 43 ? 4.850 -8.232 16.341 1.00 86.75 ? 280 ASP A CA 1 ATOM 330 C C . ASP A 1 43 ? 5.620 -8.172 15.022 1.00 105.75 ? 280 ASP A C 1 ATOM 331 O O . ASP A 1 43 ? 6.791 -7.807 14.990 1.00 136.84 ? 280 ASP A O 1 ATOM 332 C CB . ASP A 1 43 ? 5.802 -8.489 17.517 1.00 72.96 ? 280 ASP A CB 1 ATOM 333 C CG . ASP A 1 43 ? 5.382 -7.770 18.789 1.00 103.22 ? 280 ASP A CG 1 ATOM 334 O OD1 . ASP A 1 43 ? 4.494 -6.900 18.721 1.00 108.04 ? 280 ASP A OD1 1 ATOM 335 O OD2 . ASP A 1 43 ? 5.954 -8.055 19.862 1.00 125.86 ? 280 ASP A OD2 1 ATOM 336 N N . GLY A 1 44 ? 4.961 -8.548 13.933 1.00 99.72 ? 281 GLY A N 1 ATOM 337 C CA . GLY A 1 44 ? 5.600 -8.557 12.629 1.00 117.60 ? 281 GLY A CA 1 ATOM 338 C C . GLY A 1 44 ? 6.168 -9.906 12.226 1.00 125.99 ? 281 GLY A C 1 ATOM 339 O O . GLY A 1 44 ? 6.077 -10.303 11.068 1.00 150.22 ? 281 GLY A O 1 ATOM 340 N N . VAL A 1 45 ? 6.765 -10.603 13.187 1.00 129.19 ? 282 VAL A N 1 ATOM 341 C CA . VAL A 1 45 ? 7.313 -11.942 12.988 1.00 135.73 ? 282 VAL A CA 1 ATOM 342 C C . VAL A 1 45 ? 6.214 -12.888 12.504 1.00 134.79 ? 282 VAL A C 1 ATOM 343 O O . VAL A 1 45 ? 5.282 -13.200 13.257 1.00 149.52 ? 282 VAL A O 1 ATOM 344 C CB . VAL A 1 45 ? 7.807 -12.503 14.349 1.00 84.47 ? 282 VAL A CB 1 ATOM 345 C CG1 . VAL A 1 45 ? 8.083 -13.995 14.318 1.00 86.30 ? 282 VAL A CG1 1 ATOM 346 C CG2 . VAL A 1 45 ? 8.894 -11.651 15.024 1.00 54.95 ? 282 VAL A CG2 1 ATOM 347 N N . GLU A 1 46 ? 6.311 -13.338 11.258 1.00 117.72 ? 283 GLU A N 1 ATOM 348 C CA . GLU A 1 46 ? 5.313 -14.251 10.708 1.00 124.32 ? 283 GLU A CA 1 ATOM 349 C C . GLU A 1 46 ? 5.248 -15.519 11.554 1.00 128.81 ? 283 GLU A C 1 ATOM 350 O O . GLU A 1 46 ? 6.276 -16.095 11.895 1.00 119.99 ? 283 GLU A O 1 ATOM 351 C CB . GLU A 1 46 ? 5.626 -14.587 9.248 1.00 119.15 ? 283 GLU A CB 1 ATOM 352 C CG . GLU A 1 46 ? 4.554 -15.395 8.543 1.00 123.21 ? 283 GLU A CG 1 ATOM 353 C CD . GLU A 1 46 ? 4.751 -15.420 7.037 1.00 130.23 ? 283 GLU A CD 1 ATOM 354 O OE1 . GLU A 1 46 ? 5.568 -14.617 6.535 1.00 115.65 ? 283 GLU A OE1 1 ATOM 355 O OE2 . GLU A 1 46 ? 4.094 -16.240 6.357 1.00 122.81 ? 283 GLU A OE2 1 ATOM 356 N N . VAL A 1 47 ? 4.040 -15.919 11.931 1.00 140.25 ? 284 VAL A N 1 ATOM 357 C CA . VAL A 1 47 ? 3.845 -17.156 12.674 1.00 124.77 ? 284 VAL A CA 1 ATOM 358 C C . VAL A 1 47 ? 3.193 -18.190 11.773 1.00 150.48 ? 284 VAL A C 1 ATOM 359 O O . VAL A 1 47 ? 2.535 -17.841 10.791 1.00 137.24 ? 284 VAL A O 1 ATOM 360 C CB . VAL A 1 47 ? 2.986 -16.945 13.924 1.00 119.21 ? 284 VAL A CB 1 ATOM 361 C CG1 . VAL A 1 47 ? 3.867 -16.643 15.132 1.00 113.58 ? 284 VAL A CG1 1 ATOM 362 C CG2 . VAL A 1 47 ? 1.979 -15.833 13.692 1.00 120.93 ? 284 VAL A CG2 1 ATOM 363 N N . HIS A 1 48 ? 3.373 -19.462 12.116 1.00 180.00 ? 285 HIS A N 1 ATOM 364 C CA . HIS A 1 48 ? 3.005 -20.556 11.221 1.00 176.87 ? 285 HIS A CA 1 ATOM 365 C C . HIS A 1 48 ? 2.133 -21.594 11.903 1.00 163.82 ? 285 HIS A C 1 ATOM 366 O O . HIS A 1 48 ? 1.777 -22.610 11.303 1.00 156.82 ? 285 HIS A O 1 ATOM 367 C CB . HIS A 1 48 ? 4.265 -21.205 10.647 1.00 187.00 ? 285 HIS A CB 1 ATOM 368 C CG . HIS A 1 48 ? 5.169 -20.235 9.946 1.00 186.22 ? 285 HIS A CG 1 ATOM 369 N ND1 . HIS A 1 48 ? 5.163 -20.072 8.581 1.00 189.26 ? 285 HIS A ND1 1 ATOM 370 C CD2 . HIS A 1 48 ? 6.095 -19.369 10.426 1.00 186.04 ? 285 HIS A CD2 1 ATOM 371 C CE1 . HIS A 1 48 ? 6.050 -19.150 8.243 1.00 186.64 ? 285 HIS A CE1 1 ATOM 372 N NE2 . HIS A 1 48 ? 6.624 -18.705 9.345 1.00 181.86 ? 285 HIS A NE2 1 ATOM 373 N N . ASN A 1 49 ? 1.790 -21.326 13.160 1.00 147.21 ? 286 ASN A N 1 ATOM 374 C CA . ASN A 1 49 ? 0.855 -22.165 13.903 1.00 127.64 ? 286 ASN A CA 1 ATOM 375 C C . ASN A 1 49 ? -0.591 -21.727 13.670 1.00 115.13 ? 286 ASN A C 1 ATOM 376 O O . ASN A 1 49 ? -1.444 -21.848 14.556 1.00 97.32 ? 286 ASN A O 1 ATOM 377 C CB . ASN A 1 49 ? 1.192 -22.157 15.395 1.00 118.63 ? 286 ASN A CB 1 ATOM 378 C CG . ASN A 1 49 ? 2.108 -21.005 15.778 1.00 130.65 ? 286 ASN A CG 1 ATOM 379 O OD1 . ASN A 1 49 ? 3.143 -20.779 15.147 1.00 139.76 ? 286 ASN A OD1 1 ATOM 380 N ND2 . ASN A 1 49 ? 1.726 -20.266 16.812 1.00 120.99 ? 286 ASN A ND2 1 ATOM 381 N N . ALA A 1 50 ? -0.844 -21.211 12.469 1.00 110.94 ? 287 ALA A N 1 ATOM 382 C CA . ALA A 1 50 ? -2.180 -20.866 12.025 1.00 118.55 ? 287 ALA A CA 1 ATOM 383 C C . ALA A 1 50 ? -3.095 -22.062 12.233 1.00 124.29 ? 287 ALA A C 1 ATOM 384 O O . ALA A 1 50 ? -2.656 -23.210 12.175 1.00 135.91 ? 287 ALA A O 1 ATOM 385 C CB . ALA A 1 50 ? -2.150 -20.476 10.549 1.00 123.39 ? 287 ALA A CB 1 ATOM 386 N N . LYS A 1 51 ? -4.368 -21.796 12.484 1.00 124.73 ? 288 LYS A N 1 ATOM 387 C CA . LYS A 1 51 ? -5.353 -22.864 12.503 1.00 115.66 ? 288 LYS A CA 1 ATOM 388 C C . LYS A 1 51 ? -6.532 -22.449 11.637 1.00 119.41 ? 288 LYS A C 1 ATOM 389 O O . LYS A 1 51 ? -7.632 -22.197 12.129 1.00 138.00 ? 288 LYS A O 1 ATOM 390 C CB . LYS A 1 51 ? -5.777 -23.199 13.936 1.00 123.39 ? 288 LYS A CB 1 ATOM 391 C CG . LYS A 1 51 ? -6.742 -24.373 14.059 1.00 113.88 ? 288 LYS A CG 1 ATOM 392 C CD . LYS A 1 51 ? -6.288 -25.551 13.228 1.00 94.91 ? 288 LYS A CD 1 ATOM 393 C CE . LYS A 1 51 ? -7.350 -26.633 13.224 1.00 105.92 ? 288 LYS A CE 1 ATOM 394 N NZ . LYS A 1 51 ? -6.914 -27.883 12.534 1.00 83.64 ? 288 LYS A NZ 1 ATOM 395 N N . THR A 1 52 ? -6.276 -22.345 10.338 1.00 102.31 ? 289 THR A N 1 ATOM 396 C CA . THR A 1 52 ? -7.327 -22.048 9.382 1.00 121.94 ? 289 THR A CA 1 ATOM 397 C C . THR A 1 52 ? -8.335 -23.186 9.401 1.00 146.36 ? 289 THR A C 1 ATOM 398 O O . THR A 1 52 ? -8.069 -24.258 8.862 1.00 154.36 ? 289 THR A O 1 ATOM 399 C CB . THR A 1 52 ? -6.767 -21.904 7.955 1.00 107.98 ? 289 THR A CB 1 ATOM 400 O OG1 . THR A 1 52 ? -5.769 -20.871 7.924 1.00 104.01 ? 289 THR A OG1 1 ATOM 401 C CG2 . THR A 1 52 ? -7.885 -21.571 6.975 1.00 84.67 ? 289 THR A CG2 1 ATOM 402 N N . LYS A 1 53 ? -9.480 -22.962 10.043 1.00 144.31 ? 290 LYS A N 1 ATOM 403 C CA . LYS A 1 53 ? -10.512 -23.991 10.131 1.00 133.69 ? 290 LYS A CA 1 ATOM 404 C C . LYS A 1 53 ? -11.466 -23.870 8.958 1.00 138.79 ? 290 LYS A C 1 ATOM 405 O O . LYS A 1 53 ? -11.604 -22.784 8.376 1.00 108.99 ? 290 LYS A O 1 ATOM 406 C CB . LYS A 1 53 ? -11.260 -23.914 11.465 1.00 119.86 ? 290 LYS A CB 1 ATOM 407 C CG . LYS A 1 53 ? -12.531 -23.079 11.470 1.00 103.17 ? 290 LYS A CG 1 ATOM 408 C CD . LYS A 1 53 ? -13.059 -23.031 12.893 1.00 128.23 ? 290 LYS A CD 1 ATOM 409 C CE . LYS A 1 53 ? -11.925 -22.669 13.858 1.00 124.57 ? 290 LYS A CE 1 ATOM 410 N NZ . LYS A 1 53 ? -12.084 -23.256 15.222 1.00 105.32 ? 290 LYS A NZ 1 ATOM 411 N N . PRO A 1 54 ? -12.121 -24.988 8.602 1.00 144.02 ? 291 PRO A N 1 ATOM 412 C CA . PRO A 1 54 ? -12.806 -25.009 7.318 1.00 144.58 ? 291 PRO A CA 1 ATOM 413 C C . PRO A 1 54 ? -13.901 -24.048 7.122 1.00 149.30 ? 291 PRO A C 1 ATOM 414 O O . PRO A 1 54 ? -14.545 -23.564 8.089 1.00 148.33 ? 291 PRO A O 1 ATOM 415 C CB . PRO A 1 54 ? -13.352 -26.431 7.191 1.00 137.22 ? 291 PRO A CB 1 ATOM 416 C CG . PRO A 1 54 ? -13.248 -27.016 8.530 1.00 135.65 ? 291 PRO A CG 1 ATOM 417 C CD . PRO A 1 54 ? -12.111 -26.318 9.223 1.00 135.84 ? 291 PRO A CD 1 ATOM 418 N N . ARG A 1 55 ? -14.045 -23.977 5.770 1.00 161.55 ? 292 ARG A N 1 ATOM 419 C CA . ARG A 1 55 ? -14.603 -22.987 4.834 1.00 153.96 ? 292 ARG A CA 1 ATOM 420 C C . ARG A 1 55 ? -16.008 -23.389 4.600 1.00 101.12 ? 292 ARG A C 1 ATOM 421 O O . ARG A 1 55 ? -16.254 -24.389 3.950 1.00 128.59 ? 292 ARG A O 1 ATOM 422 C CB . ARG A 1 55 ? -13.999 -23.101 3.394 1.00 126.20 ? 292 ARG A CB 1 ATOM 423 C CG . ARG A 1 55 ? -12.489 -22.955 3.142 1.00 124.87 ? 292 ARG A CG 1 ATOM 424 C CD . ARG A 1 55 ? -12.101 -22.282 1.769 1.00 123.78 ? 292 ARG A CD 1 ATOM 425 N NE . ARG A 1 55 ? -13.124 -22.231 0.711 1.00 151.15 ? 292 ARG A NE 1 ATOM 426 C CZ . ARG A 1 55 ? -13.213 -23.073 -0.324 1.00 142.93 ? 292 ARG A CZ 1 ATOM 427 N NH1 . ARG A 1 55 ? -12.359 -24.083 -0.459 1.00 114.04 ? 292 ARG A NH1 1 ATOM 428 N NH2 . ARG A 1 55 ? -14.177 -22.915 -1.227 1.00 120.52 ? 292 ARG A NH2 1 ATOM 429 N N . GLU A 1 56 ? -16.936 -22.578 5.051 1.00 115.97 ? 293 GLU A N 1 ATOM 430 C CA . GLU A 1 56 ? -18.299 -23.025 5.100 1.00 125.81 ? 293 GLU A CA 1 ATOM 431 C C . GLU A 1 56 ? -19.217 -22.160 4.226 1.00 141.85 ? 293 GLU A C 1 ATOM 432 O O . GLU A 1 56 ? -19.828 -21.218 4.719 1.00 157.48 ? 293 GLU A O 1 ATOM 433 C CB . GLU A 1 56 ? -18.704 -23.100 6.574 1.00 137.52 ? 293 GLU A CB 1 ATOM 434 C CG . GLU A 1 56 ? -17.616 -23.847 7.399 1.00 97.56 ? 293 GLU A CG 1 ATOM 435 C CD . GLU A 1 56 ? -17.796 -23.766 8.903 1.00 139.52 ? 293 GLU A CD 1 ATOM 436 O OE1 . GLU A 1 56 ? -18.925 -23.987 9.383 1.00 149.99 ? 293 GLU A OE1 1 ATOM 437 O OE2 . GLU A 1 56 ? -16.797 -23.503 9.605 1.00 150.84 ? 293 GLU A OE2 1 ATOM 438 N N . GLU A 1 57 ? -19.273 -22.484 2.927 1.00 155.98 ? 294 GLU A N 1 ATOM 439 C CA . GLU A 1 57 ? -20.057 -21.743 1.929 1.00 176.64 ? 294 GLU A CA 1 ATOM 440 C C . GLU A 1 57 ? -21.438 -21.410 2.429 1.00 179.32 ? 294 GLU A C 1 ATOM 441 O O . GLU A 1 57 ? -22.369 -22.186 2.224 1.00 193.34 ? 294 GLU A O 1 ATOM 442 C CB . GLU A 1 57 ? -20.273 -22.570 0.656 1.00 203.35 ? 294 GLU A CB 1 ATOM 443 C CG . GLU A 1 57 ? -19.137 -23.507 0.267 1.00 215.20 ? 294 GLU A CG 1 ATOM 444 C CD . GLU A 1 57 ? -19.234 -23.866 -1.202 1.00 212.23 ? 294 GLU A CD 1 ATOM 445 O OE1 . GLU A 1 57 ? -20.025 -24.749 -1.580 1.00 205.10 ? 294 GLU A OE1 1 ATOM 446 O OE2 . GLU A 1 57 ? -18.489 -23.241 -1.991 1.00 215.12 ? 294 GLU A OE2 1 ATOM 447 N N . GLN A 1 58 ? -21.588 -20.263 3.077 1.00 172.55 ? 295 GLN A N 1 ATOM 448 C CA . GLN A 1 58 ? -22.870 -19.932 3.676 1.00 171.04 ? 295 GLN A CA 1 ATOM 449 C C . GLN A 1 58 ? -23.932 -19.767 2.595 1.00 161.96 ? 295 GLN A C 1 ATOM 450 O O . GLN A 1 58 ? -23.678 -19.885 1.390 1.00 155.47 ? 295 GLN A O 1 ATOM 451 C CB . GLN A 1 58 ? -22.801 -18.697 4.587 1.00 179.11 ? 295 GLN A CB 1 ATOM 452 C CG . GLN A 1 58 ? -21.501 -18.547 5.391 1.00 177.49 ? 295 GLN A CG 1 ATOM 453 C CD . GLN A 1 58 ? -21.444 -19.425 6.633 1.00 164.36 ? 295 GLN A CD 1 ATOM 454 O OE1 . GLN A 1 58 ? -22.134 -19.174 7.623 1.00 170.82 ? 295 GLN A OE1 1 ATOM 455 N NE2 . GLN A 1 58 ? -20.601 -20.446 6.594 1.00 147.02 ? 295 GLN A NE2 1 ATOM 456 N N . TYR A 1 59 ? -25.141 -19.502 3.026 1.00 150.96 ? 296 TYR A N 1 ATOM 457 C CA . TYR A 1 59 ? -26.236 -19.643 2.116 1.00 149.79 ? 296 TYR A CA 1 ATOM 458 C C . TYR A 1 59 ? -26.434 -18.469 1.168 1.00 150.36 ? 296 TYR A C 1 ATOM 459 O O . TYR A 1 59 ? -26.674 -18.685 -0.018 1.00 150.40 ? 296 TYR A O 1 ATOM 460 C CB . TYR A 1 59 ? -27.469 -19.870 2.931 1.00 161.63 ? 296 TYR A CB 1 ATOM 461 C CG . TYR A 1 59 ? -28.017 -21.262 2.876 1.00 142.27 ? 296 TYR A CG 1 ATOM 462 C CD1 . TYR A 1 59 ? -27.494 -22.253 3.680 1.00 138.74 ? 296 TYR A CD1 1 ATOM 463 C CD2 . TYR A 1 59 ? -29.085 -21.579 2.051 1.00 167.10 ? 296 TYR A CD2 1 ATOM 464 C CE1 . TYR A 1 59 ? -27.989 -23.520 3.656 1.00 159.46 ? 296 TYR A CE1 1 ATOM 465 C CE2 . TYR A 1 59 ? -29.598 -22.855 2.017 1.00 167.13 ? 296 TYR A CE2 1 ATOM 466 C CZ . TYR A 1 59 ? -29.040 -23.826 2.825 1.00 164.74 ? 296 TYR A CZ 1 ATOM 467 O OH . TYR A 1 59 ? -29.516 -25.114 2.824 1.00 163.04 ? 296 TYR A OH 1 ATOM 468 N N . ASN A 1 60 ? -26.305 -17.235 1.652 1.00 148.37 ? 297 ASN A N 1 ATOM 469 C CA . ASN A 1 60 ? -26.465 -16.066 0.774 1.00 171.65 ? 297 ASN A CA 1 ATOM 470 C C . ASN A 1 60 ? -25.442 -16.008 -0.362 1.00 182.81 ? 297 ASN A C 1 ATOM 471 O O . ASN A 1 60 ? -25.031 -14.938 -0.797 1.00 180.88 ? 297 ASN A O 1 ATOM 472 C CB . ASN A 1 60 ? -26.489 -14.746 1.571 1.00 187.80 ? 297 ASN A CB 1 ATOM 473 C CG . ASN A 1 60 ? -25.314 -14.597 2.543 1.00 199.53 ? 297 ASN A CG 1 ATOM 474 O OD1 . ASN A 1 60 ? -24.587 -15.553 2.826 1.00 194.83 ? 297 ASN A OD1 1 ATOM 475 N ND2 . ASN A 1 60 ? -25.151 -13.376 3.076 1.00 212.05 ? 297 ASN A ND2 1 ATOM 476 N N . SER A 1 61 ? -25.061 -17.181 -0.851 1.00 191.68 ? 298 SER A N 1 ATOM 477 C CA . SER A 1 61 ? -23.921 -17.340 -1.732 1.00 189.16 ? 298 SER A CA 1 ATOM 478 C C . SER A 1 61 ? -22.667 -16.597 -1.268 1.00 164.46 ? 298 SER A C 1 ATOM 479 O O . SER A 1 61 ? -21.758 -16.340 -2.065 1.00 149.05 ? 298 SER A O 1 ATOM 480 C CB . SER A 1 61 ? -24.278 -17.010 -3.192 1.00 206.79 ? 298 SER A CB 1 ATOM 481 O OG . SER A 1 61 ? -24.558 -18.198 -3.935 1.00 210.37 ? 298 SER A OG 1 ATOM 482 N N . THR A 1 62 ? -22.623 -16.217 0.008 1.00 158.23 ? 299 THR A N 1 ATOM 483 C CA . THR A 1 62 ? -21.371 -15.693 0.510 1.00 177.97 ? 299 THR A CA 1 ATOM 484 C C . THR A 1 62 ? -20.946 -16.627 1.615 1.00 193.24 ? 299 THR A C 1 ATOM 485 O O . THR A 1 62 ? -21.768 -17.046 2.428 1.00 165.58 ? 299 THR A O 1 ATOM 486 C CB . THR A 1 62 ? -21.458 -14.284 1.105 1.00 173.76 ? 299 THR A CB 1 ATOM 487 O OG1 . THR A 1 62 ? -21.542 -14.369 2.538 1.00 177.51 ? 299 THR A OG1 1 ATOM 488 C CG2 . THR A 1 62 ? -22.595 -13.519 0.531 1.00 161.45 ? 299 THR A CG2 1 ATOM 489 N N . TYR A 1 63 ? -19.666 -16.975 1.625 1.00 222.52 ? 300 TYR A N 1 ATOM 490 C CA . TYR A 1 63 ? -19.152 -17.878 2.644 1.00 230.64 ? 300 TYR A CA 1 ATOM 491 C C . TYR A 1 63 ? -18.642 -17.096 3.785 1.00 219.54 ? 300 TYR A C 1 ATOM 492 O O . TYR A 1 63 ? -18.775 -15.889 3.860 1.00 215.17 ? 300 TYR A O 1 ATOM 493 C CB . TYR A 1 63 ? -18.128 -18.973 2.181 1.00 256.17 ? 300 TYR A CB 1 ATOM 494 C CG . TYR A 1 63 ? -17.413 -18.803 0.824 1.00 256.26 ? 300 TYR A CG 1 ATOM 495 C CD1 . TYR A 1 63 ? -17.809 -17.826 -0.114 1.00 265.97 ? 300 TYR A CD1 1 ATOM 496 C CD2 . TYR A 1 63 ? -16.375 -19.653 0.430 1.00 248.31 ? 300 TYR A CD2 1 ATOM 497 C CE1 . TYR A 1 63 ? -17.178 -17.682 -1.409 1.00 273.99 ? 300 TYR A CE1 1 ATOM 498 C CE2 . TYR A 1 63 ? -15.751 -19.435 -0.840 1.00 255.23 ? 300 TYR A CE2 1 ATOM 499 C CZ . TYR A 1 63 ? -16.167 -18.400 -1.670 1.00 270.15 ? 300 TYR A CZ 1 ATOM 500 O OH . TYR A 1 63 ? -15.782 -18.183 -2.928 1.00 276.85 ? 300 TYR A OH 1 ATOM 501 N N . ARG A 1 64 ? -17.879 -17.824 4.563 1.00 172.21 ? 301 ARG A N 1 ATOM 502 C CA . ARG A 1 64 ? -17.310 -17.329 5.766 1.00 131.32 ? 301 ARG A CA 1 ATOM 503 C C . ARG A 1 64 ? -16.304 -18.333 6.239 1.00 115.02 ? 301 ARG A C 1 ATOM 504 O O . ARG A 1 64 ? -16.651 -19.349 6.835 1.00 120.50 ? 301 ARG A O 1 ATOM 505 C CB . ARG A 1 64 ? -18.390 -17.158 6.801 1.00 127.18 ? 301 ARG A CB 1 ATOM 506 C CG . ARG A 1 64 ? -17.898 -16.611 8.082 1.00 106.88 ? 301 ARG A CG 1 ATOM 507 C CD . ARG A 1 64 ? -19.065 -16.656 8.932 1.00 132.05 ? 301 ARG A CD 1 ATOM 508 N NE . ARG A 1 64 ? -18.878 -17.346 10.195 1.00 151.85 ? 301 ARG A NE 1 ATOM 509 C CZ . ARG A 1 64 ? -18.214 -18.482 10.381 1.00 155.42 ? 301 ARG A CZ 1 ATOM 510 N NH1 . ARG A 1 64 ? -17.661 -19.164 9.390 1.00 120.81 ? 301 ARG A NH1 1 ATOM 511 N NH2 . ARG A 1 64 ? -18.115 -18.951 11.605 1.00 203.02 ? 301 ARG A NH2 1 ATOM 512 N N . VAL A 1 65 ? -15.053 -18.053 5.910 1.00 122.52 ? 302 VAL A N 1 ATOM 513 C CA . VAL A 1 65 ? -13.948 -18.858 6.372 1.00 128.40 ? 302 VAL A CA 1 ATOM 514 C C . VAL A 1 65 ? -13.291 -18.202 7.595 1.00 130.47 ? 302 VAL A C 1 ATOM 515 O O . VAL A 1 65 ? -13.201 -17.008 7.709 1.00 121.75 ? 302 VAL A O 1 ATOM 516 C CB . VAL A 1 65 ? -12.951 -19.161 5.230 1.00 137.30 ? 302 VAL A CB 1 ATOM 517 C CG1 . VAL A 1 65 ? -11.909 -18.094 5.083 1.00 118.73 ? 302 VAL A CG1 1 ATOM 518 C CG2 . VAL A 1 65 ? -12.253 -20.462 5.504 1.00 156.99 ? 302 VAL A CG2 1 ATOM 519 N N . VAL A 1 66 ? -12.881 -19.008 8.553 1.00 130.94 ? 303 VAL A N 1 ATOM 520 C CA . VAL A 1 66 ? -12.329 -18.482 9.793 1.00 122.07 ? 303 VAL A CA 1 ATOM 521 C C . VAL A 1 66 ? -10.941 -19.063 10.054 1.00 99.60 ? 303 VAL A C 1 ATOM 522 O O . VAL A 1 66 ? -10.718 -20.253 9.846 1.00 101.83 ? 303 VAL A O 1 ATOM 523 C CB . VAL A 1 66 ? -13.260 -18.811 10.993 1.00 91.37 ? 303 VAL A CB 1 ATOM 524 C CG1 . VAL A 1 66 ? -12.518 -18.682 12.313 1.00 104.43 ? 303 VAL A CG1 1 ATOM 525 C CG2 . VAL A 1 66 ? -14.481 -17.908 10.991 1.00 110.04 ? 303 VAL A CG2 1 ATOM 526 N N . SER A 1 67 ? -10.005 -18.215 10.474 1.00 106.94 ? 304 SER A N 1 ATOM 527 C CA . SER A 1 67 ? -8.756 -18.697 11.059 1.00 117.82 ? 304 SER A CA 1 ATOM 528 C C . SER A 1 67 ? -8.787 -18.520 12.545 1.00 105.39 ? 304 SER A C 1 ATOM 529 O O . SER A 1 67 ? -9.571 -17.739 13.087 1.00 113.45 ? 304 SER A O 1 ATOM 530 C CB . SER A 1 67 ? -7.546 -17.917 10.578 1.00 121.70 ? 304 SER A CB 1 ATOM 531 O OG . SER A 1 67 ? -6.351 -18.656 10.770 1.00 113.56 ? 304 SER A OG 1 ATOM 532 N N . VAL A 1 68 ? -7.879 -19.227 13.196 1.00 87.90 ? 305 VAL A N 1 ATOM 533 C CA . VAL A 1 68 ? -7.715 -19.109 14.621 1.00 91.12 ? 305 VAL A CA 1 ATOM 534 C C . VAL A 1 68 ? -6.250 -19.236 14.946 1.00 97.30 ? 305 VAL A C 1 ATOM 535 O O . VAL A 1 68 ? -5.582 -20.135 14.445 1.00 95.27 ? 305 VAL A O 1 ATOM 536 C CB . VAL A 1 68 ? -8.451 -20.219 15.348 1.00 73.58 ? 305 VAL A CB 1 ATOM 537 C CG1 . VAL A 1 68 ? -8.015 -20.271 16.782 1.00 76.20 ? 305 VAL A CG1 1 ATOM 538 C CG2 . VAL A 1 68 ? -9.956 -20.017 15.261 1.00 78.83 ? 305 VAL A CG2 1 ATOM 539 N N . LEU A 1 69 ? -5.748 -18.313 15.761 1.00 89.18 ? 306 LEU A N 1 ATOM 540 C CA . LEU A 1 69 ? -4.389 -18.405 16.275 1.00 85.36 ? 306 LEU A CA 1 ATOM 541 C C . LEU A 1 69 ? -4.414 -18.481 17.803 1.00 88.90 ? 306 LEU A C 1 ATOM 542 O O . LEU A 1 69 ? -5.180 -17.768 18.450 1.00 90.68 ? 306 LEU A O 1 ATOM 543 C CB . LEU A 1 69 ? -3.557 -17.230 15.772 1.00 83.50 ? 306 LEU A CB 1 ATOM 544 C CG . LEU A 1 69 ? -2.173 -16.938 16.363 1.00 99.59 ? 306 LEU A CG 1 ATOM 545 C CD1 . LEU A 1 69 ? -1.355 -18.183 16.606 1.00 86.94 ? 306 LEU A CD1 1 ATOM 546 C CD2 . LEU A 1 69 ? -1.434 -16.022 15.415 1.00 101.03 ? 306 LEU A CD2 1 ATOM 547 N N . THR A 1 70 ? -3.620 -19.392 18.363 1.00 98.04 ? 307 THR A N 1 ATOM 548 C CA . THR A 1 70 ? -3.474 -19.506 19.805 1.00 96.88 ? 307 THR A CA 1 ATOM 549 C C . THR A 1 70 ? -2.335 -18.601 20.214 1.00 82.76 ? 307 THR A C 1 ATOM 550 O O . THR A 1 70 ? -1.215 -18.755 19.746 1.00 105.29 ? 307 THR A O 1 ATOM 551 C CB . THR A 1 70 ? -3.193 -20.953 20.248 1.00 87.70 ? 307 THR A CB 1 ATOM 552 O OG1 . THR A 1 70 ? -4.431 -21.664 20.313 1.00 104.12 ? 307 THR A OG1 1 ATOM 553 C CG2 . THR A 1 70 ? -2.530 -20.997 21.621 1.00 70.31 ? 307 THR A CG2 1 ATOM 554 N N . VAL A 1 71 ? -2.638 -17.644 21.081 1.00 66.12 ? 308 VAL A N 1 ATOM 555 C CA . VAL A 1 71 ? -1.665 -16.690 21.574 1.00 65.48 ? 308 VAL A CA 1 ATOM 556 C C . VAL A 1 71 ? -1.183 -17.175 22.911 1.00 64.07 ? 308 VAL A C 1 ATOM 557 O O . VAL A 1 71 ? -1.860 -17.938 23.581 1.00 69.59 ? 308 VAL A O 1 ATOM 558 C CB . VAL A 1 71 ? -2.316 -15.295 21.756 1.00 71.97 ? 308 VAL A CB 1 ATOM 559 C CG1 . VAL A 1 71 ? -2.880 -14.822 20.450 1.00 72.03 ? 308 VAL A CG1 1 ATOM 560 C CG2 . VAL A 1 71 ? -3.442 -15.335 22.798 1.00 34.76 ? 308 VAL A CG2 1 ATOM 561 N N . LEU A 1 72 ? -0.014 -16.731 23.318 1.00 55.10 ? 309 LEU A N 1 ATOM 562 C CA . LEU A 1 72 ? 0.440 -17.056 24.649 1.00 53.78 ? 309 LEU A CA 1 ATOM 563 C C . LEU A 1 72 ? -0.149 -16.029 25.580 1.00 62.73 ? 309 LEU A C 1 ATOM 564 O O . LEU A 1 72 ? -0.372 -14.893 25.179 1.00 41.08 ? 309 LEU A O 1 ATOM 565 C CB . LEU A 1 72 ? 1.951 -16.997 24.708 1.00 82.82 ? 309 LEU A CB 1 ATOM 566 C CG . LEU A 1 72 ? 2.560 -17.905 23.665 1.00 79.14 ? 309 LEU A CG 1 ATOM 567 C CD1 . LEU A 1 72 ? 4.056 -17.903 23.821 1.00 71.50 ? 309 LEU A CD1 1 ATOM 568 C CD2 . LEU A 1 72 ? 1.986 -19.274 23.869 1.00 56.27 ? 309 LEU A CD2 1 ATOM 569 N N . HIS A 1 73 ? -0.406 -16.430 26.815 1.00 43.56 ? 310 HIS A N 1 ATOM 570 C CA . HIS A 1 73 ? -1.054 -15.565 27.773 1.00 40.53 ? 310 HIS A CA 1 ATOM 571 C C . HIS A 1 73 ? -0.269 -14.264 27.936 1.00 49.07 ? 310 HIS A C 1 ATOM 572 O O . HIS A 1 73 ? -0.842 -13.177 27.918 1.00 52.83 ? 310 HIS A O 1 ATOM 573 C CB . HIS A 1 73 ? -1.205 -16.285 29.117 1.00 50.25 ? 310 HIS A CB 1 ATOM 574 C CG . HIS A 1 73 ? -2.074 -17.502 29.075 1.00 73.96 ? 310 HIS A CG 1 ATOM 575 N ND1 . HIS A 1 73 ? -1.679 -18.693 28.474 1.00 66.04 ? 310 HIS A ND1 1 ATOM 576 C CD2 . HIS A 1 73 ? -3.314 -17.743 29.553 1.00 70.13 ? 310 HIS A CD2 1 ATOM 577 C CE1 . HIS A 1 73 ? -2.632 -19.582 28.591 1.00 59.77 ? 310 HIS A CE1 1 ATOM 578 N NE2 . HIS A 1 73 ? -3.644 -19.039 29.251 1.00 58.09 ? 310 HIS A NE2 1 ATOM 579 N N . GLN A 1 74 ? 1.042 -14.437 28.055 1.00 62.95 ? 311 GLN A N 1 ATOM 580 C CA . GLN A 1 74 ? 2.100 -13.450 28.164 1.00 83.41 ? 311 GLN A CA 1 ATOM 581 C C . GLN A 1 74 ? 2.129 -12.528 27.044 1.00 63.46 ? 311 GLN A C 1 ATOM 582 O O . GLN A 1 74 ? 2.310 -11.314 27.206 1.00 87.92 ? 311 GLN A O 1 ATOM 583 C CB . GLN A 1 74 ? 3.392 -14.225 28.192 1.00 129.62 ? 311 GLN A CB 1 ATOM 584 C CG . GLN A 1 74 ? 3.513 -14.937 29.506 1.00 144.37 ? 311 GLN A CG 1 ATOM 585 C CD . GLN A 1 74 ? 4.111 -14.118 30.688 1.00 181.35 ? 311 GLN A CD 1 ATOM 586 O OE1 . GLN A 1 74 ? 3.654 -14.270 31.836 1.00 190.23 ? 311 GLN A OE1 1 ATOM 587 N NE2 . GLN A 1 74 ? 5.245 -13.478 30.464 1.00 216.90 ? 311 GLN A NE2 1 ATOM 588 N N . ASP A 1 75 ? 2.034 -13.144 25.883 1.00 51.05 ? 312 ASP A N 1 ATOM 589 C CA . ASP A 1 75 ? 2.287 -12.441 24.662 1.00 53.01 ? 312 ASP A CA 1 ATOM 590 C C . ASP A 1 75 ? 1.228 -11.382 24.573 1.00 85.54 ? 312 ASP A C 1 ATOM 591 O O . ASP A 1 75 ? 1.521 -10.213 24.309 1.00 80.14 ? 312 ASP A O 1 ATOM 592 C CB . ASP A 1 75 ? 2.191 -13.355 23.458 1.00 60.11 ? 312 ASP A CB 1 ATOM 593 C CG . ASP A 1 75 ? 3.502 -13.973 23.091 1.00 89.03 ? 312 ASP A CG 1 ATOM 594 O OD1 . ASP A 1 75 ? 3.538 -14.646 22.043 1.00 91.43 ? 312 ASP A OD1 1 ATOM 595 O OD2 . ASP A 1 75 ? 4.486 -13.787 23.839 1.00 108.23 ? 312 ASP A OD2 1 ATOM 596 N N . TRP A 1 76 ? -0.003 -11.811 24.838 1.00 78.19 ? 313 TRP A N 1 ATOM 597 C CA . TRP A 1 76 ? -1.152 -10.944 24.784 1.00 50.35 ? 313 TRP A CA 1 ATOM 598 C C . TRP A 1 76 ? -1.057 -9.916 25.882 1.00 61.95 ? 313 TRP A C 1 ATOM 599 O O . TRP A 1 76 ? -1.168 -8.705 25.640 1.00 49.72 ? 313 TRP A O 1 ATOM 600 C CB . TRP A 1 76 ? -2.450 -11.740 24.931 1.00 51.61 ? 313 TRP A CB 1 ATOM 601 C CG . TRP A 1 76 ? -3.629 -10.848 24.897 1.00 33.62 ? 313 TRP A CG 1 ATOM 602 C CD1 . TRP A 1 76 ? -4.339 -10.390 25.959 1.00 49.29 ? 313 TRP A CD1 1 ATOM 603 C CD2 . TRP A 1 76 ? -4.201 -10.243 23.735 1.00 43.74 ? 313 TRP A CD2 1 ATOM 604 N NE1 . TRP A 1 76 ? -5.343 -9.536 25.527 1.00 62.99 ? 313 TRP A NE1 1 ATOM 605 C CE2 . TRP A 1 76 ? -5.271 -9.434 24.165 1.00 27.08 ? 313 TRP A CE2 1 ATOM 606 C CE3 . TRP A 1 76 ? -3.924 -10.323 22.371 1.00 29.21 ? 313 TRP A CE3 1 ATOM 607 C CZ2 . TRP A 1 76 ? -6.045 -8.720 23.294 1.00 41.75 ? 313 TRP A CZ2 1 ATOM 608 C CZ3 . TRP A 1 76 ? -4.695 -9.600 21.512 1.00 51.20 ? 313 TRP A CZ3 1 ATOM 609 C CH2 . TRP A 1 76 ? -5.742 -8.812 21.974 1.00 33.96 ? 313 TRP A CH2 1 ATOM 610 N N . LEU A 1 77 ? -0.861 -10.394 27.099 1.00 49.20 ? 314 LEU A N 1 ATOM 611 C CA . LEU A 1 77 ? -0.831 -9.499 28.244 1.00 60.00 ? 314 LEU A CA 1 ATOM 612 C C . LEU A 1 77 ? 0.219 -8.393 28.153 1.00 67.45 ? 314 LEU A C 1 ATOM 613 O O . LEU A 1 77 ? -0.020 -7.292 28.643 1.00 70.13 ? 314 LEU A O 1 ATOM 614 C CB . LEU A 1 77 ? -0.667 -10.302 29.527 1.00 40.11 ? 314 LEU A CB 1 ATOM 615 C CG . LEU A 1 77 ? -1.937 -11.019 29.981 1.00 42.28 ? 314 LEU A CG 1 ATOM 616 C CD1 . LEU A 1 77 ? -1.703 -11.790 31.243 1.00 28.50 ? 314 LEU A CD1 1 ATOM 617 C CD2 . LEU A 1 77 ? -3.012 -9.987 30.225 1.00 35.95 ? 314 LEU A CD2 1 ATOM 618 N N . ASN A 1 78 ? 1.362 -8.690 27.522 1.00 75.54 ? 315 ASN A N 1 ATOM 619 C CA . ASN A 1 78 ? 2.459 -7.725 27.339 1.00 62.90 ? 315 ASN A CA 1 ATOM 620 C C . ASN A 1 78 ? 2.248 -6.798 26.153 1.00 69.50 ? 315 ASN A C 1 ATOM 621 O O . ASN A 1 78 ? 3.161 -6.049 25.769 1.00 71.55 ? 315 ASN A O 1 ATOM 622 C CB . ASN A 1 78 ? 3.799 -8.440 27.150 1.00 57.13 ? 315 ASN A CB 1 ATOM 623 C CG . ASN A 1 78 ? 4.369 -9.005 28.450 1.00 88.14 ? 315 ASN A CG 1 ATOM 624 O OD1 . ASN A 1 78 ? 4.119 -8.479 29.541 1.00 49.94 ? 315 ASN A OD1 1 ATOM 625 N ND2 . ASN A 1 78 ? 5.179 -10.069 28.327 1.00 48.32 ? 315 ASN A ND2 1 ATOM 626 N N . GLY A 1 79 ? 1.059 -6.883 25.557 1.00 64.49 ? 316 GLY A N 1 ATOM 627 C CA . GLY A 1 79 ? 0.651 -5.970 24.509 1.00 76.84 ? 316 GLY A CA 1 ATOM 628 C C . GLY A 1 79 ? 1.227 -6.218 23.128 1.00 57.03 ? 316 GLY A C 1 ATOM 629 O O . GLY A 1 79 ? 1.354 -5.273 22.353 1.00 88.35 ? 316 GLY A O 1 ATOM 630 N N . LYS A 1 80 ? 1.567 -7.462 22.804 1.00 55.10 ? 317 LYS A N 1 ATOM 631 C CA . LYS A 1 80 ? 2.062 -7.792 21.468 1.00 70.39 ? 317 LYS A CA 1 ATOM 632 C C . LYS A 1 80 ? 0.909 -7.687 20.488 1.00 37.01 ? 317 LYS A C 1 ATOM 633 O O . LYS A 1 80 ? -0.222 -7.781 20.891 1.00 67.02 ? 317 LYS A O 1 ATOM 634 C CB . LYS A 1 80 ? 2.710 -9.180 21.451 1.00 59.84 ? 317 LYS A CB 1 ATOM 635 C CG . LYS A 1 80 ? 3.926 -9.276 22.368 1.00 85.35 ? 317 LYS A CG 1 ATOM 636 C CD . LYS A 1 80 ? 4.754 -10.548 22.161 1.00 110.84 ? 317 LYS A CD 1 ATOM 637 C CE . LYS A 1 80 ? 5.845 -10.695 23.228 1.00 105.21 ? 317 LYS A CE 1 ATOM 638 N NZ . LYS A 1 80 ? 7.172 -11.058 22.652 1.00 101.46 ? 317 LYS A NZ 1 ATOM 639 N N . GLU A 1 81 ? 1.178 -7.444 19.216 1.00 63.73 ? 318 GLU A N 1 ATOM 640 C CA . GLU A 1 81 ? 0.105 -7.170 18.275 1.00 72.08 ? 318 GLU A CA 1 ATOM 641 C C . GLU A 1 81 ? 0.022 -8.252 17.244 1.00 76.80 ? 318 GLU A C 1 ATOM 642 O O . GLU A 1 81 ? 1.040 -8.701 16.735 1.00 79.95 ? 318 GLU A O 1 ATOM 643 C CB . GLU A 1 81 ? 0.282 -5.836 17.545 1.00 92.82 ? 318 GLU A CB 1 ATOM 644 C CG . GLU A 1 81 ? 1.264 -4.865 18.157 1.00 137.88 ? 318 GLU A CG 1 ATOM 645 C CD . GLU A 1 81 ? 0.958 -3.432 17.763 1.00 149.81 ? 318 GLU A CD 1 ATOM 646 O OE1 . GLU A 1 81 ? 0.706 -3.179 16.565 1.00 152.19 ? 318 GLU A OE1 1 ATOM 647 O OE2 . GLU A 1 81 ? 0.952 -2.564 18.660 1.00 129.60 ? 318 GLU A OE2 1 ATOM 648 N N . TYR A 1 82 ? -1.208 -8.619 16.901 1.00 66.68 ? 319 TYR A N 1 ATOM 649 C CA . TYR A 1 82 ? -1.472 -9.762 16.044 1.00 90.29 ? 319 TYR A CA 1 ATOM 650 C C . TYR A 1 82 ? -2.036 -9.347 14.686 1.00 101.99 ? 319 TYR A C 1 ATOM 651 O O . TYR A 1 82 ? -3.203 -8.971 14.569 1.00 79.71 ? 319 TYR A O 1 ATOM 652 C CB . TYR A 1 82 ? -2.402 -10.743 16.769 1.00 88.92 ? 319 TYR A CB 1 ATOM 653 C CG . TYR A 1 82 ? -1.779 -11.284 18.033 1.00 71.37 ? 319 TYR A CG 1 ATOM 654 C CD1 . TYR A 1 82 ? -1.069 -12.458 18.022 1.00 55.42 ? 319 TYR A CD1 1 ATOM 655 C CD2 . TYR A 1 82 ? -1.872 -10.596 19.225 1.00 88.57 ? 319 TYR A CD2 1 ATOM 656 C CE1 . TYR A 1 82 ? -0.484 -12.931 19.157 1.00 57.18 ? 319 TYR A CE1 1 ATOM 657 C CE2 . TYR A 1 82 ? -1.277 -11.074 20.371 1.00 95.87 ? 319 TYR A CE2 1 ATOM 658 C CZ . TYR A 1 82 ? -0.586 -12.238 20.330 1.00 70.84 ? 319 TYR A CZ 1 ATOM 659 O OH . TYR A 1 82 ? -0.008 -12.707 21.481 1.00 98.47 ? 319 TYR A OH 1 ATOM 660 N N . LYS A 1 83 ? -1.184 -9.425 13.666 1.00 106.59 ? 320 LYS A N 1 ATOM 661 C CA . LYS A 1 83 ? -1.547 -9.001 12.322 1.00 112.70 ? 320 LYS A CA 1 ATOM 662 C C . LYS A 1 83 ? -2.121 -10.155 11.517 1.00 125.77 ? 320 LYS A C 1 ATOM 663 O O . LYS A 1 83 ? -1.525 -11.231 11.440 1.00 128.88 ? 320 LYS A O 1 ATOM 664 C CB . LYS A 1 83 ? -0.343 -8.410 11.581 1.00 98.04 ? 320 LYS A CB 1 ATOM 665 C CG . LYS A 1 83 ? -0.723 -7.665 10.304 1.00 96.24 ? 320 LYS A CG 1 ATOM 666 C CD . LYS A 1 83 ? 0.448 -7.521 9.349 1.00 97.83 ? 320 LYS A CD 1 ATOM 667 C CE . LYS A 1 83 ? 1.433 -6.427 9.771 1.00 112.79 ? 320 LYS A CE 1 ATOM 668 N NZ . LYS A 1 83 ? 2.752 -6.503 9.013 1.00 91.51 ? 320 LYS A NZ 1 ATOM 669 N N . CYS A 1 84 ? -3.279 -9.911 10.908 1.00 116.54 ? 321 CYS A N 1 ATOM 670 C CA . CYS A 1 84 ? -3.948 -10.889 10.054 1.00 111.76 ? 321 CYS A CA 1 ATOM 671 C C . CYS A 1 84 ? -3.943 -10.421 8.589 1.00 125.03 ? 321 CYS A C 1 ATOM 672 O O . CYS A 1 84 ? -4.534 -9.395 8.247 1.00 127.70 ? 321 CYS A O 1 ATOM 673 C CB . CYS A 1 84 ? -5.379 -11.109 10.560 1.00 91.82 ? 321 CYS A CB 1 ATOM 674 S SG . CYS A 1 84 ? -6.285 -12.448 9.780 1.00 164.67 ? 321 CYS A SG 1 ATOM 675 N N . LYS A 1 85 ? -3.259 -11.167 7.728 1.00 113.12 ? 322 LYS A N 1 ATOM 676 C CA . LYS A 1 85 ? -3.141 -10.794 6.320 1.00 96.06 ? 322 LYS A CA 1 ATOM 677 C C . LYS A 1 85 ? -3.913 -11.758 5.421 1.00 115.69 ? 322 LYS A C 1 ATOM 678 O O . LYS A 1 85 ? -3.527 -12.918 5.267 1.00 109.40 ? 322 LYS A O 1 ATOM 679 C CB . LYS A 1 85 ? -1.667 -10.746 5.919 1.00 120.53 ? 322 LYS A CB 1 ATOM 680 C CG . LYS A 1 85 ? -1.422 -10.499 4.443 1.00 143.18 ? 322 LYS A CG 1 ATOM 681 C CD . LYS A 1 85 ? 0.063 -10.419 4.108 1.00 151.56 ? 322 LYS A CD 1 ATOM 682 C CE . LYS A 1 85 ? 0.333 -9.047 3.492 1.00 155.58 ? 322 LYS A CE 1 ATOM 683 N NZ . LYS A 1 85 ? 1.773 -8.562 3.590 1.00 154.73 ? 322 LYS A NZ 1 ATOM 684 N N . VAL A 1 86 ? -4.987 -11.259 4.811 1.00 132.19 ? 323 VAL A N 1 ATOM 685 C CA . VAL A 1 86 ? -5.972 -12.109 4.139 1.00 123.40 ? 323 VAL A CA 1 ATOM 686 C C . VAL A 1 86 ? -5.943 -11.994 2.617 1.00 138.31 ? 323 VAL A C 1 ATOM 687 O O . VAL A 1 86 ? -6.593 -11.128 2.041 1.00 131.39 ? 323 VAL A O 1 ATOM 688 C CB . VAL A 1 86 ? -7.389 -11.759 4.594 1.00 78.04 ? 323 VAL A CB 1 ATOM 689 C CG1 . VAL A 1 86 ? -8.339 -12.847 4.205 1.00 75.84 ? 323 VAL A CG1 1 ATOM 690 C CG2 . VAL A 1 86 ? -7.429 -11.553 6.095 1.00 102.37 ? 323 VAL A CG2 1 ATOM 691 N N . SER A 1 87 ? -5.211 -12.892 1.968 1.00 153.04 ? 324 SER A N 1 ATOM 692 C CA . SER A 1 87 ? -5.028 -12.838 0.521 1.00 165.52 ? 324 SER A CA 1 ATOM 693 C C . SER A 1 87 ? -6.126 -13.547 -0.266 1.00 151.18 ? 324 SER A C 1 ATOM 694 O O . SER A 1 87 ? -6.205 -14.775 -0.282 1.00 143.28 ? 324 SER A O 1 ATOM 695 C CB . SER A 1 87 ? -3.660 -13.412 0.145 1.00 181.83 ? 324 SER A CB 1 ATOM 696 O OG . SER A 1 87 ? -2.630 -12.882 0.972 1.00 189.87 ? 324 SER A OG 1 ATOM 697 N N . ASN A 1 88 ? -6.975 -12.753 -0.912 1.00 153.29 ? 325 ASN A N 1 ATOM 698 C CA . ASN A 1 88 ? -7.989 -13.261 -1.834 1.00 155.40 ? 325 ASN A CA 1 ATOM 699 C C . ASN A 1 88 ? -7.790 -12.627 -3.215 1.00 169.08 ? 325 ASN A C 1 ATOM 700 O O . ASN A 1 88 ? -6.873 -11.838 -3.422 1.00 167.35 ? 325 ASN A O 1 ATOM 701 C CB . ASN A 1 88 ? -9.402 -12.971 -1.295 1.00 153.42 ? 325 ASN A CB 1 ATOM 702 C CG . ASN A 1 88 ? -10.511 -13.521 -2.195 1.00 166.97 ? 325 ASN A CG 1 ATOM 703 O OD1 . ASN A 1 88 ? -11.048 -12.851 -2.952 1.00 195.01 ? 325 ASN A OD1 1 ATOM 704 N ND2 . ASN A 1 88 ? -10.746 -14.716 -2.149 1.00 175.10 ? 325 ASN A ND2 1 ATOM 705 N N . LYS A 1 89 ? -8.636 -12.980 -4.168 1.00 164.82 ? 326 LYS A N 1 ATOM 706 C CA . LYS A 1 89 ? -8.480 -12.500 -5.523 1.00 161.33 ? 326 LYS A CA 1 ATOM 707 C C . LYS A 1 89 ? -9.617 -11.585 -5.946 1.00 164.18 ? 326 LYS A C 1 ATOM 708 O O . LYS A 1 89 ? -9.682 -11.158 -7.102 1.00 160.48 ? 326 LYS A O 1 ATOM 709 C CB . LYS A 1 89 ? -8.539 -13.666 -6.468 1.00 159.73 ? 326 LYS A CB 1 ATOM 710 C CG . LYS A 1 89 ? -7.452 -14.644 -6.420 1.00 174.67 ? 326 LYS A CG 1 ATOM 711 C CD . LYS A 1 89 ? -7.322 -15.308 -7.807 1.00 203.60 ? 326 LYS A CD 1 ATOM 712 C CE . LYS A 1 89 ? -7.563 -16.870 -7.654 1.00 226.62 ? 326 LYS A CE 1 ATOM 713 N NZ . LYS A 1 89 ? -7.116 -17.480 -6.254 1.00 193.20 ? 326 LYS A NZ 1 ATOM 714 N N . ALA A 1 90 ? -10.552 -11.337 -5.039 1.00 176.63 ? 327 ALA A N 1 ATOM 715 C CA . ALA A 1 90 ? -11.541 -10.307 -5.269 1.00 176.72 ? 327 ALA A CA 1 ATOM 716 C C . ALA A 1 90 ? -10.896 -8.989 -4.862 1.00 180.82 ? 327 ALA A C 1 ATOM 717 O O . ALA A 1 90 ? -11.367 -7.917 -5.232 1.00 187.51 ? 327 ALA A O 1 ATOM 718 C CB . ALA A 1 90 ? -12.805 -10.588 -4.464 1.00 159.70 ? 327 ALA A CB 1 ATOM 719 N N . LEU A 1 91 ? -9.814 -9.076 -4.092 1.00 173.26 ? 328 LEU A N 1 ATOM 720 C CA . LEU A 1 91 ? -9.077 -7.886 -3.683 1.00 162.40 ? 328 LEU A CA 1 ATOM 721 C C . LEU A 1 91 ? -7.769 -7.701 -4.454 1.00 173.00 ? 328 LEU A C 1 ATOM 722 O O . LEU A 1 91 ? -7.088 -8.677 -4.791 1.00 164.21 ? 328 LEU A O 1 ATOM 723 C CB . LEU A 1 91 ? -8.825 -7.890 -2.165 1.00 152.27 ? 328 LEU A CB 1 ATOM 724 C CG . LEU A 1 91 ? -8.774 -9.243 -1.440 1.00 155.30 ? 328 LEU A CG 1 ATOM 725 C CD1 . LEU A 1 91 ? -7.355 -9.621 -1.122 1.00 162.53 ? 328 LEU A CD1 1 ATOM 726 C CD2 . LEU A 1 91 ? -9.624 -9.269 -0.195 1.00 146.47 ? 328 LEU A CD2 1 ATOM 727 N N . PRO A 1 92 ? -7.440 -6.436 -4.766 1.00 183.36 ? 329 PRO A N 1 ATOM 728 C CA . PRO A 1 92 ? -6.188 -6.066 -5.429 1.00 174.44 ? 329 PRO A CA 1 ATOM 729 C C . PRO A 1 92 ? -5.012 -6.270 -4.486 1.00 175.21 ? 329 PRO A C 1 ATOM 730 O O . PRO A 1 92 ? -3.990 -6.827 -4.877 1.00 169.77 ? 329 PRO A O 1 ATOM 731 C CB . PRO A 1 92 ? -6.376 -4.575 -5.725 1.00 161.86 ? 329 PRO A CB 1 ATOM 732 C CG . PRO A 1 92 ? -7.372 -4.107 -4.712 1.00 164.55 ? 329 PRO A CG 1 ATOM 733 C CD . PRO A 1 92 ? -8.288 -5.263 -4.480 1.00 174.71 ? 329 PRO A CD 1 ATOM 734 N N . ALA A 1 93 ? -5.174 -5.823 -3.246 1.00 177.63 ? 330 ALA A N 1 ATOM 735 C CA . ALA A 1 93 ? -4.158 -5.988 -2.219 1.00 177.64 ? 330 ALA A CA 1 ATOM 736 C C . ALA A 1 93 ? -4.728 -6.806 -1.071 1.00 166.87 ? 330 ALA A C 1 ATOM 737 O O . ALA A 1 93 ? -5.926 -6.733 -0.792 1.00 178.63 ? 330 ALA A O 1 ATOM 738 C CB . ALA A 1 93 ? -3.691 -4.633 -1.721 1.00 178.86 ? 330 ALA A CB 1 ATOM 739 N N . PRO A 1 94 ? -3.875 -7.581 -0.388 1.00 146.62 ? 331 PRO A N 1 ATOM 740 C CA . PRO A 1 94 ? -4.438 -8.394 0.694 1.00 145.38 ? 331 PRO A CA 1 ATOM 741 C C . PRO A 1 94 ? -4.902 -7.482 1.838 1.00 142.96 ? 331 PRO A C 1 ATOM 742 O O . PRO A 1 94 ? -4.173 -6.580 2.216 1.00 141.21 ? 331 PRO A O 1 ATOM 743 C CB . PRO A 1 94 ? -3.249 -9.255 1.147 1.00 136.35 ? 331 PRO A CB 1 ATOM 744 C CG . PRO A 1 94 ? -2.131 -9.000 0.141 1.00 137.71 ? 331 PRO A CG 1 ATOM 745 C CD . PRO A 1 94 ? -2.405 -7.652 -0.433 1.00 139.85 ? 331 PRO A CD 1 ATOM 746 N N . ILE A 1 95 ? -6.108 -7.697 2.354 1.00 119.53 ? 332 ILE A N 1 ATOM 747 C CA . ILE A 1 95 ? -6.609 -6.922 3.487 1.00 115.93 ? 332 ILE A CA 1 ATOM 748 C C . ILE A 1 95 ? -5.746 -7.124 4.750 1.00 113.02 ? 332 ILE A C 1 ATOM 749 O O . ILE A 1 95 ? -5.188 -8.214 4.989 1.00 112.49 ? 332 ILE A O 1 ATOM 750 C CB . ILE A 1 95 ? -8.110 -7.253 3.806 1.00 123.92 ? 332 ILE A CB 1 ATOM 751 C CG1 . ILE A 1 95 ? -9.108 -6.102 3.619 1.00 151.32 ? 332 ILE A CG1 1 ATOM 752 C CG2 . ILE A 1 95 ? -8.275 -7.418 5.238 1.00 129.58 ? 332 ILE A CG2 1 ATOM 753 C CD1 . ILE A 1 95 ? -9.533 -5.654 2.318 1.00 173.96 ? 332 ILE A CD1 1 ATOM 754 N N . GLU A 1 96 ? -5.681 -6.087 5.586 1.00 90.12 ? 333 GLU A N 1 ATOM 755 C CA . GLU A 1 96 ? -5.017 -6.243 6.870 1.00 98.25 ? 333 GLU A CA 1 ATOM 756 C C . GLU A 1 96 ? -5.816 -5.785 8.107 1.00 91.25 ? 333 GLU A C 1 ATOM 757 O O . GLU A 1 96 ? -6.627 -4.864 8.042 1.00 80.31 ? 333 GLU A O 1 ATOM 758 C CB . GLU A 1 96 ? -3.621 -5.621 6.823 1.00 94.52 ? 333 GLU A CB 1 ATOM 759 C CG . GLU A 1 96 ? -2.616 -6.462 6.037 1.00 124.05 ? 333 GLU A CG 1 ATOM 760 C CD . GLU A 1 96 ? -1.197 -5.967 6.188 1.00 136.86 ? 333 GLU A CD 1 ATOM 761 O OE1 . GLU A 1 96 ? -0.263 -6.780 6.037 1.00 138.17 ? 333 GLU A OE1 1 ATOM 762 O OE2 . GLU A 1 96 ? -1.022 -4.762 6.455 1.00 147.78 ? 333 GLU A OE2 1 ATOM 763 N N . LYS A 1 97 ? -5.604 -6.481 9.222 1.00 73.77 ? 334 LYS A N 1 ATOM 764 C CA . LYS A 1 97 ? -6.115 -6.047 10.523 1.00 90.31 ? 334 LYS A CA 1 ATOM 765 C C . LYS A 1 97 ? -5.109 -6.406 11.618 1.00 86.98 ? 334 LYS A C 1 ATOM 766 O O . LYS A 1 97 ? -4.629 -7.537 11.684 1.00 83.82 ? 334 LYS A O 1 ATOM 767 C CB . LYS A 1 97 ? -7.486 -6.661 10.843 1.00 91.33 ? 334 LYS A CB 1 ATOM 768 C CG . LYS A 1 97 ? -8.595 -6.384 9.839 1.00 62.61 ? 334 LYS A CG 1 ATOM 769 C CD . LYS A 1 97 ? -9.138 -4.974 9.943 1.00 78.23 ? 334 LYS A CD 1 ATOM 770 C CE . LYS A 1 97 ? -10.182 -4.714 8.850 1.00 105.97 ? 334 LYS A CE 1 ATOM 771 N NZ . LYS A 1 97 ? -9.588 -4.752 7.481 1.00 101.36 ? 334 LYS A NZ 1 ATOM 772 N N . THR A 1 98 ? -4.787 -5.423 12.456 1.00 76.55 ? 335 THR A N 1 ATOM 773 C CA . THR A 1 98 ? -3.915 -5.604 13.609 1.00 77.59 ? 335 THR A CA 1 ATOM 774 C C . THR A 1 98 ? -4.776 -5.470 14.864 1.00 88.73 ? 335 THR A C 1 ATOM 775 O O . THR A 1 98 ? -5.729 -4.695 14.891 1.00 86.01 ? 335 THR A O 1 ATOM 776 C CB . THR A 1 98 ? -2.760 -4.567 13.619 1.00 77.33 ? 335 THR A CB 1 ATOM 777 O OG1 . THR A 1 98 ? -1.913 -4.778 12.483 1.00 94.90 ? 335 THR A OG1 1 ATOM 778 C CG2 . THR A 1 98 ? -1.924 -4.676 14.883 1.00 71.80 ? 335 THR A CG2 1 ATOM 779 N N . ILE A 1 99 ? -4.462 -6.251 15.890 1.00 84.39 ? 336 ILE A N 1 ATOM 780 C CA . ILE A 1 99 ? -5.171 -6.162 17.153 1.00 63.97 ? 336 ILE A CA 1 ATOM 781 C C . ILE A 1 99 ? -4.147 -6.344 18.258 1.00 71.03 ? 336 ILE A C 1 ATOM 782 O O . ILE A 1 99 ? -3.067 -6.884 18.013 1.00 76.05 ? 336 ILE A O 1 ATOM 783 C CB . ILE A 1 99 ? -6.263 -7.249 17.261 1.00 84.47 ? 336 ILE A CB 1 ATOM 784 C CG1 . ILE A 1 99 ? -7.550 -6.662 17.838 1.00 106.46 ? 336 ILE A CG1 1 ATOM 785 C CG2 . ILE A 1 99 ? -5.782 -8.452 18.066 1.00 80.76 ? 336 ILE A CG2 1 ATOM 786 C CD1 . ILE A 1 99 ? -8.349 -7.650 18.667 1.00 117.23 ? 336 ILE A CD1 1 ATOM 787 N N . SER A 1 100 ? -4.471 -5.857 19.452 1.00 61.15 ? 337 SER A N 1 ATOM 788 C CA . SER A 1 100 ? -3.670 -6.113 20.633 1.00 62.01 ? 337 SER A CA 1 ATOM 789 C C . SER A 1 100 ? -4.432 -5.649 21.844 1.00 57.67 ? 337 SER A C 1 ATOM 790 O O . SER A 1 100 ? -5.533 -5.150 21.743 1.00 69.39 ? 337 SER A O 1 ATOM 791 C CB . SER A 1 100 ? -2.344 -5.381 20.568 1.00 81.53 ? 337 SER A CB 1 ATOM 792 O OG . SER A 1 100 ? -2.486 -4.075 21.074 1.00 85.27 ? 337 SER A OG 1 ATOM 793 N N . LYS A 1 101 ? -3.843 -5.839 23.003 1.00 52.36 ? 338 LYS A N 1 ATOM 794 C CA . LYS A 1 101 ? -4.448 -5.414 24.241 1.00 35.00 ? 338 LYS A CA 1 ATOM 795 C C . LYS A 1 101 ? -4.464 -3.879 24.259 1.00 55.43 ? 338 LYS A C 1 ATOM 796 O O . LYS A 1 101 ? -3.938 -3.222 23.359 1.00 73.20 ? 338 LYS A O 1 ATOM 797 C CB . LYS A 1 101 ? -3.633 -6.044 25.364 1.00 48.15 ? 338 LYS A CB 1 ATOM 798 C CG . LYS A 1 101 ? -3.859 -5.582 26.760 1.00 34.53 ? 338 LYS A CG 1 ATOM 799 C CD . LYS A 1 101 ? -2.542 -5.662 27.494 1.00 68.72 ? 338 LYS A CD 1 ATOM 800 C CE . LYS A 1 101 ? -2.657 -5.063 28.860 1.00 63.29 ? 338 LYS A CE 1 ATOM 801 N NZ . LYS A 1 101 ? -3.772 -5.756 29.535 1.00 59.20 ? 338 LYS A NZ 1 ATOM 802 N N . ALA A 1 102 ? -5.124 -3.288 25.234 1.00 60.46 ? 339 ALA A N 1 ATOM 803 C CA . ALA A 1 102 ? -5.186 -1.843 25.285 1.00 49.31 ? 339 ALA A CA 1 ATOM 804 C C . ALA A 1 102 ? -3.997 -1.361 26.079 1.00 80.05 ? 339 ALA A C 1 ATOM 805 O O . ALA A 1 102 ? -3.709 -1.854 27.164 1.00 84.75 ? 339 ALA A O 1 ATOM 806 C CB . ALA A 1 102 ? -6.482 -1.398 25.957 1.00 56.47 ? 339 ALA A CB 1 ATOM 807 N N . LYS A 1 103 ? -3.320 -0.368 25.533 1.00 78.91 ? 340 LYS A N 1 ATOM 808 C CA . LYS A 1 103 ? -2.111 0.172 26.127 1.00 64.17 ? 340 LYS A CA 1 ATOM 809 C C . LYS A 1 103 ? -2.518 1.142 27.223 1.00 84.10 ? 340 LYS A C 1 ATOM 810 O O . LYS A 1 103 ? -3.604 1.690 27.190 1.00 101.57 ? 340 LYS A O 1 ATOM 811 C CB . LYS A 1 103 ? -1.305 0.849 25.025 1.00 62.41 ? 340 LYS A CB 1 ATOM 812 C CG . LYS A 1 103 ? -0.972 -0.116 23.869 1.00 70.13 ? 340 LYS A CG 1 ATOM 813 C CD . LYS A 1 103 ? -0.256 -1.379 24.375 1.00 65.36 ? 340 LYS A CD 1 ATOM 814 C CE . LYS A 1 103 ? -0.212 -2.483 23.332 1.00 55.79 ? 340 LYS A CE 1 ATOM 815 N NZ . LYS A 1 103 ? 0.104 -1.937 21.995 1.00 77.95 ? 340 LYS A NZ 1 ATOM 816 N N . GLY A 1 104 ? -1.689 1.343 28.225 1.00 47.00 ? 341 GLY A N 1 ATOM 817 C CA . GLY A 1 104 ? -2.124 2.205 29.309 1.00 36.94 ? 341 GLY A CA 1 ATOM 818 C C . GLY A 1 104 ? -1.971 1.482 30.616 1.00 41.02 ? 341 GLY A C 1 ATOM 819 O O . GLY A 1 104 ? -1.948 0.272 30.610 1.00 44.59 ? 341 GLY A O 1 ATOM 820 N N . GLN A 1 105 ? -1.834 2.213 31.716 1.00 41.00 ? 342 GLN A N 1 ATOM 821 C CA . GLN A 1 105 ? -1.469 1.629 33.004 1.00 58.29 ? 342 GLN A CA 1 ATOM 822 C C . GLN A 1 105 ? -2.626 0.794 33.507 1.00 50.25 ? 342 GLN A C 1 ATOM 823 O O . GLN A 1 105 ? -3.707 1.321 33.750 1.00 82.46 ? 342 GLN A O 1 ATOM 824 C CB . GLN A 1 105 ? -1.175 2.721 34.038 1.00 87.86 ? 342 GLN A CB 1 ATOM 825 C CG . GLN A 1 105 ? 0.292 2.969 34.381 1.00 91.69 ? 342 GLN A CG 1 ATOM 826 C CD . GLN A 1 105 ? 0.942 1.824 35.148 1.00 90.70 ? 342 GLN A CD 1 ATOM 827 O OE1 . GLN A 1 105 ? 0.643 1.608 36.317 1.00 98.89 ? 342 GLN A OE1 1 ATOM 828 N NE2 . GLN A 1 105 ? 1.844 1.093 34.491 1.00 83.57 ? 342 GLN A NE2 1 ATOM 829 N N . PRO A 1 106 ? -2.417 -0.517 33.651 1.00 44.15 ? 343 PRO A N 1 ATOM 830 C CA . PRO A 1 106 ? -3.528 -1.300 34.169 1.00 69.97 ? 343 PRO A CA 1 ATOM 831 C C . PRO A 1 106 ? -3.817 -0.910 35.602 1.00 55.56 ? 343 PRO A C 1 ATOM 832 O O . PRO A 1 106 ? -2.874 -0.603 36.352 1.00 92.95 ? 343 PRO A O 1 ATOM 833 C CB . PRO A 1 106 ? -2.997 -2.719 34.082 1.00 56.12 ? 343 PRO A CB 1 ATOM 834 C CG . PRO A 1 106 ? -2.134 -2.664 32.903 1.00 39.80 ? 343 PRO A CG 1 ATOM 835 C CD . PRO A 1 106 ? -1.374 -1.386 33.103 1.00 42.22 ? 343 PRO A CD 1 ATOM 836 N N . ARG A 1 107 ? -5.098 -0.893 35.969 1.00 64.53 ? 344 ARG A N 1 ATOM 837 C CA . ARG A 1 107 ? -5.467 -0.475 37.312 1.00 66.64 ? 344 ARG A CA 1 ATOM 838 C C . ARG A 1 107 ? -6.322 -1.495 37.970 1.00 49.69 ? 344 ARG A C 1 ATOM 839 O O . ARG A 1 107 ? -7.176 -2.114 37.342 1.00 72.46 ? 344 ARG A O 1 ATOM 840 C CB . ARG A 1 107 ? -6.229 0.841 37.317 1.00 59.78 ? 344 ARG A CB 1 ATOM 841 C CG . ARG A 1 107 ? -5.488 1.936 36.735 1.00 86.98 ? 344 ARG A CG 1 ATOM 842 C CD . ARG A 1 107 ? -5.185 3.049 37.701 1.00 152.82 ? 344 ARG A CD 1 ATOM 843 N NE . ARG A 1 107 ? -5.202 4.286 36.935 1.00 183.14 ? 344 ARG A NE 1 ATOM 844 C CZ . ARG A 1 107 ? -5.971 5.346 37.163 1.00 174.46 ? 344 ARG A CZ 1 ATOM 845 N NH1 . ARG A 1 107 ? -6.770 5.423 38.226 1.00 158.94 ? 344 ARG A NH1 1 ATOM 846 N NH2 . ARG A 1 107 ? -5.892 6.361 36.315 1.00 178.01 ? 344 ARG A NH2 1 ATOM 847 N N . GLU A 1 108 ? -6.093 -1.631 39.260 1.00 28.40 ? 345 GLU A N 1 ATOM 848 C CA . GLU A 1 108 ? -6.813 -2.546 40.097 1.00 63.22 ? 345 GLU A CA 1 ATOM 849 C C . GLU A 1 108 ? -8.274 -2.098 40.329 1.00 57.28 ? 345 GLU A C 1 ATOM 850 O O . GLU A 1 108 ? -8.527 -1.024 40.873 1.00 67.15 ? 345 GLU A O 1 ATOM 851 C CB . GLU A 1 108 ? -6.045 -2.640 41.411 1.00 49.99 ? 345 GLU A CB 1 ATOM 852 C CG . GLU A 1 108 ? -6.219 -3.936 42.149 1.00 55.82 ? 345 GLU A CG 1 ATOM 853 C CD . GLU A 1 108 ? -5.569 -3.872 43.492 1.00 75.25 ? 345 GLU A CD 1 ATOM 854 O OE1 . GLU A 1 108 ? -6.025 -3.067 44.330 1.00 71.59 ? 345 GLU A OE1 1 ATOM 855 O OE2 . GLU A 1 108 ? -4.594 -4.620 43.704 1.00 103.23 ? 345 GLU A OE2 1 ATOM 856 N N . PRO A 1 109 ? -9.230 -2.931 39.901 1.00 42.39 ? 346 PRO A N 1 ATOM 857 C CA . PRO A 1 109 ? -10.642 -2.796 40.208 1.00 75.51 ? 346 PRO A CA 1 ATOM 858 C C . PRO A 1 109 ? -10.865 -2.852 41.710 1.00 73.15 ? 346 PRO A C 1 ATOM 859 O O . PRO A 1 109 ? -10.300 -3.711 42.387 1.00 52.41 ? 346 PRO A O 1 ATOM 860 C CB . PRO A 1 109 ? -11.231 -4.054 39.576 1.00 39.84 ? 346 PRO A CB 1 ATOM 861 C CG . PRO A 1 109 ? -10.144 -4.993 39.564 1.00 35.20 ? 346 PRO A CG 1 ATOM 862 C CD . PRO A 1 109 ? -8.992 -4.169 39.156 1.00 54.91 ? 346 PRO A CD 1 ATOM 863 N N . GLN A 1 110 ? -11.672 -1.921 42.209 1.00 69.00 ? 347 GLN A N 1 ATOM 864 C CA . GLN A 1 110 ? -12.157 -1.946 43.572 1.00 59.73 ? 347 GLN A CA 1 ATOM 865 C C . GLN A 1 110 ? -13.520 -2.579 43.461 1.00 71.92 ? 347 GLN A C 1 ATOM 866 O O . GLN A 1 110 ? -14.232 -2.390 42.473 1.00 71.49 ? 347 GLN A O 1 ATOM 867 C CB . GLN A 1 110 ? -12.279 -0.521 44.111 1.00 47.07 ? 347 GLN A CB 1 ATOM 868 C CG . GLN A 1 110 ? -11.083 0.353 43.755 1.00 83.36 ? 347 GLN A CG 1 ATOM 869 C CD . GLN A 1 110 ? -11.353 1.837 43.942 1.00 102.55 ? 347 GLN A CD 1 ATOM 870 O OE1 . GLN A 1 110 ? -12.160 2.234 44.791 1.00 88.10 ? 347 GLN A OE1 1 ATOM 871 N NE2 . GLN A 1 110 ? -10.674 2.671 43.142 1.00 93.17 ? 347 GLN A NE2 1 ATOM 872 N N . VAL A 1 111 ? -13.879 -3.334 44.483 1.00 66.73 ? 348 VAL A N 1 ATOM 873 C CA . VAL A 1 111 ? -15.054 -4.169 44.435 1.00 40.20 ? 348 VAL A CA 1 ATOM 874 C C . VAL A 1 111 ? -15.879 -3.881 45.678 1.00 37.51 ? 348 VAL A C 1 ATOM 875 O O . VAL A 1 111 ? -15.411 -3.998 46.799 1.00 44.69 ? 348 VAL A O 1 ATOM 876 C CB . VAL A 1 111 ? -14.613 -5.642 44.289 1.00 28.00 ? 348 VAL A CB 1 ATOM 877 C CG1 . VAL A 1 111 ? -15.729 -6.572 44.560 1.00 45.48 ? 348 VAL A CG1 1 ATOM 878 C CG2 . VAL A 1 111 ? -14.137 -5.858 42.895 1.00 46.47 ? 348 VAL A CG2 1 ATOM 879 N N . TYR A 1 112 ? -17.103 -3.425 45.482 1.00 88.85 ? 349 TYR A N 1 ATOM 880 C CA . TYR A 1 112 ? -17.949 -3.134 46.629 1.00 84.40 ? 349 TYR A CA 1 ATOM 881 C C . TYR A 1 112 ? -19.252 -3.854 46.452 1.00 74.48 ? 349 TYR A C 1 ATOM 882 O O . TYR A 1 112 ? -19.869 -3.818 45.380 1.00 76.56 ? 349 TYR A O 1 ATOM 883 C CB . TYR A 1 112 ? -18.160 -1.626 46.813 1.00 51.50 ? 349 TYR A CB 1 ATOM 884 C CG . TYR A 1 112 ? -16.858 -0.838 46.931 1.00 53.25 ? 349 TYR A CG 1 ATOM 885 C CD1 . TYR A 1 112 ? -16.057 -0.922 48.068 1.00 50.10 ? 349 TYR A CD1 1 ATOM 886 C CD2 . TYR A 1 112 ? -16.440 -0.013 45.904 1.00 56.66 ? 349 TYR A CD2 1 ATOM 887 C CE1 . TYR A 1 112 ? -14.902 -0.197 48.176 1.00 71.04 ? 349 TYR A CE1 1 ATOM 888 C CE2 . TYR A 1 112 ? -15.281 0.716 45.997 1.00 55.67 ? 349 TYR A CE2 1 ATOM 889 C CZ . TYR A 1 112 ? -14.507 0.619 47.136 1.00 76.82 ? 349 TYR A CZ 1 ATOM 890 O OH . TYR A 1 112 ? -13.334 1.337 47.241 1.00 60.84 ? 349 TYR A OH 1 ATOM 891 N N . THR A 1 113 ? -19.664 -4.556 47.489 1.00 34.40 ? 350 THR A N 1 ATOM 892 C CA . THR A 1 113 ? -20.956 -5.217 47.373 1.00 51.66 ? 350 THR A CA 1 ATOM 893 C C . THR A 1 113 ? -22.050 -4.446 48.105 1.00 52.77 ? 350 THR A C 1 ATOM 894 O O . THR A 1 113 ? -21.872 -3.996 49.236 1.00 84.38 ? 350 THR A O 1 ATOM 895 C CB . THR A 1 113 ? -20.909 -6.697 47.757 1.00 63.51 ? 350 THR A CB 1 ATOM 896 O OG1 . THR A 1 113 ? -20.482 -6.822 49.115 1.00 53.86 ? 350 THR A OG1 1 ATOM 897 C CG2 . THR A 1 113 ? -19.930 -7.456 46.816 1.00 39.01 ? 350 THR A CG2 1 ATOM 898 N N . LEU A 1 114 ? -23.161 -4.253 47.412 1.00 73.58 ? 351 LEU A N 1 ATOM 899 C CA . LEU A 1 114 ? -24.226 -3.385 47.880 1.00 59.83 ? 351 LEU A CA 1 ATOM 900 C C . LEU A 1 114 ? -25.508 -4.160 48.053 1.00 73.04 ? 351 LEU A C 1 ATOM 901 O O . LEU A 1 114 ? -26.083 -4.637 47.076 1.00 89.40 ? 351 LEU A O 1 ATOM 902 C CB . LEU A 1 114 ? -24.437 -2.261 46.872 1.00 63.70 ? 351 LEU A CB 1 ATOM 903 C CG . LEU A 1 114 ? -23.275 -1.281 46.810 1.00 57.15 ? 351 LEU A CG 1 ATOM 904 C CD1 . LEU A 1 114 ? -23.532 -0.264 45.739 1.00 29.45 ? 351 LEU A CD1 1 ATOM 905 C CD2 . LEU A 1 114 ? -23.150 -0.628 48.162 1.00 65.64 ? 351 LEU A CD2 1 ATOM 906 N N . PRO A 1 115 ? -25.966 -4.276 49.302 1.00 38.46 ? 352 PRO A N 1 ATOM 907 C CA . PRO A 1 115 ? -27.227 -4.931 49.645 1.00 52.68 ? 352 PRO A CA 1 ATOM 908 C C . PRO A 1 115 ? -28.452 -4.178 49.068 1.00 73.67 ? 352 PRO A C 1 ATOM 909 O O . PRO A 1 115 ? -28.387 -2.964 48.803 1.00 69.90 ? 352 PRO A O 1 ATOM 910 C CB . PRO A 1 115 ? -27.221 -4.898 51.172 1.00 32.36 ? 352 PRO A CB 1 ATOM 911 C CG . PRO A 1 115 ? -26.468 -3.716 51.504 1.00 69.56 ? 352 PRO A CG 1 ATOM 912 C CD . PRO A 1 115 ? -25.389 -3.575 50.455 1.00 45.65 ? 352 PRO A CD 1 ATOM 913 N N . PRO A 1 116 ? -29.563 -4.905 48.873 1.00 64.20 ? 353 PRO A N 1 ATOM 914 C CA . PRO A 1 116 ? -30.883 -4.443 48.478 1.00 68.02 ? 353 PRO A CA 1 ATOM 915 C C . PRO A 1 116 ? -31.308 -3.194 49.222 1.00 63.16 ? 353 PRO A C 1 ATOM 916 O O . PRO A 1 116 ? -31.133 -3.126 50.437 1.00 79.70 ? 353 PRO A O 1 ATOM 917 C CB . PRO A 1 116 ? -31.767 -5.568 48.974 1.00 63.72 ? 353 PRO A CB 1 ATOM 918 C CG . PRO A 1 116 ? -30.980 -6.701 48.922 1.00 41.20 ? 353 PRO A CG 1 ATOM 919 C CD . PRO A 1 116 ? -29.589 -6.337 49.162 1.00 66.53 ? 353 PRO A CD 1 ATOM 920 N N . SER A 1 117 ? -31.883 -2.237 48.504 1.00 63.38 ? 354 SER A N 1 ATOM 921 C CA . SER A 1 117 ? -32.624 -1.135 49.128 1.00 89.50 ? 354 SER A CA 1 ATOM 922 C C . SER A 1 117 ? -33.712 -1.703 50.035 1.00 81.16 ? 354 SER A C 1 ATOM 923 O O . SER A 1 117 ? -34.318 -2.722 49.714 1.00 66.27 ? 354 SER A O 1 ATOM 924 C CB . SER A 1 117 ? -33.291 -0.263 48.050 1.00 84.23 ? 354 SER A CB 1 ATOM 925 O OG . SER A 1 117 ? -33.884 0.919 48.585 1.00 94.54 ? 354 SER A OG 1 ATOM 926 N N . ARG A 1 118 ? -33.958 -1.043 51.159 1.00 61.83 ? 355 ARG A N 1 ATOM 927 C CA . ARG A 1 118 ? -35.081 -1.395 52.010 1.00 68.47 ? 355 ARG A CA 1 ATOM 928 C C . ARG A 1 118 ? -36.366 -1.529 51.189 1.00 78.25 ? 355 ARG A C 1 ATOM 929 O O . ARG A 1 118 ? -37.169 -2.437 51.406 1.00 73.39 ? 355 ARG A O 1 ATOM 930 C CB . ARG A 1 118 ? -35.279 -0.328 53.086 1.00 77.45 ? 355 ARG A CB 1 ATOM 931 C CG . ARG A 1 118 ? -34.239 -0.305 54.181 1.00 80.58 ? 355 ARG A CG 1 ATOM 932 C CD . ARG A 1 118 ? -34.639 -1.214 55.333 1.00 99.28 ? 355 ARG A CD 1 ATOM 933 N NE . ARG A 1 118 ? -34.221 -0.656 56.616 1.00 129.15 ? 355 ARG A NE 1 ATOM 934 C CZ . ARG A 1 118 ? -34.383 -1.259 57.790 1.00 150.96 ? 355 ARG A CZ 1 ATOM 935 N NH1 . ARG A 1 118 ? -34.950 -2.454 57.858 1.00 156.41 ? 355 ARG A NH1 1 ATOM 936 N NH2 . ARG A 1 118 ? -33.975 -0.666 58.904 1.00 158.02 ? 355 ARG A NH2 1 ATOM 937 N N . ASP A 1 119 ? -36.541 -0.634 50.226 1.00 62.57 ? 356 ASP A N 1 ATOM 938 C CA . ASP A 1 119 ? -37.804 -0.529 49.499 1.00 61.64 ? 356 ASP A CA 1 ATOM 939 C C . ASP A 1 119 ? -38.104 -1.720 48.586 1.00 70.49 ? 356 ASP A C 1 ATOM 940 O O . ASP A 1 119 ? -39.144 -1.767 47.939 1.00 94.74 ? 356 ASP A O 1 ATOM 941 C CB . ASP A 1 119 ? -37.855 0.788 48.703 1.00 79.64 ? 356 ASP A CB 1 ATOM 942 C CG . ASP A 1 119 ? -37.858 2.029 49.600 1.00 96.08 ? 356 ASP A CG 1 ATOM 943 O OD1 . ASP A 1 119 ? -38.072 1.895 50.821 1.00 80.74 ? 356 ASP A OD1 1 ATOM 944 O OD2 . ASP A 1 119 ? -37.655 3.142 49.068 1.00 96.63 ? 356 ASP A OD2 1 ATOM 945 N N . GLU A 1 120 ? -37.190 -2.676 48.525 1.00 88.99 ? 357 GLU A N 1 ATOM 946 C CA . GLU A 1 120 ? -37.365 -3.810 47.635 1.00 73.29 ? 357 GLU A CA 1 ATOM 947 C C . GLU A 1 120 ? -37.816 -5.000 48.451 1.00 97.45 ? 357 GLU A C 1 ATOM 948 O O . GLU A 1 120 ? -38.220 -6.022 47.899 1.00 100.03 ? 357 GLU A O 1 ATOM 949 C CB . GLU A 1 120 ? -36.065 -4.146 46.909 1.00 70.43 ? 357 GLU A CB 1 ATOM 950 C CG . GLU A 1 120 ? -36.277 -4.990 45.663 1.00 84.61 ? 357 GLU A CG 1 ATOM 951 C CD . GLU A 1 120 ? -34.991 -5.200 44.877 1.00 98.00 ? 357 GLU A CD 1 ATOM 952 O OE1 . GLU A 1 120 ? -33.896 -5.001 45.463 1.00 84.23 ? 357 GLU A OE1 1 ATOM 953 O OE2 . GLU A 1 120 ? -35.082 -5.556 43.675 1.00 83.88 ? 357 GLU A OE2 1 ATOM 954 N N . LEU A 1 121 ? -37.752 -4.869 49.772 1.00 99.12 ? 358 LEU A N 1 ATOM 955 C CA . LEU A 1 121 ? -38.159 -5.962 50.648 1.00 111.23 ? 358 LEU A CA 1 ATOM 956 C C . LEU A 1 121 ? -39.662 -6.266 50.565 1.00 97.32 ? 358 LEU A C 1 ATOM 957 O O . LEU A 1 121 ? -40.113 -7.304 51.041 1.00 107.45 ? 358 LEU A O 1 ATOM 958 C CB . LEU A 1 121 ? -37.702 -5.715 52.091 1.00 113.16 ? 358 LEU A CB 1 ATOM 959 C CG . LEU A 1 121 ? -36.220 -6.002 52.380 1.00 97.29 ? 358 LEU A CG 1 ATOM 960 C CD1 . LEU A 1 121 ? -35.737 -7.268 51.662 1.00 93.32 ? 358 LEU A CD1 1 ATOM 961 C CD2 . LEU A 1 121 ? -35.332 -4.836 52.023 1.00 107.87 ? 358 LEU A CD2 1 ATOM 962 N N . THR A 1 122 ? -40.426 -5.366 49.946 1.00 107.55 ? 359 THR A N 1 ATOM 963 C CA . THR A 1 122 ? -41.835 -5.630 49.675 1.00 111.08 ? 359 THR A CA 1 ATOM 964 C C . THR A 1 122 ? -41.969 -6.835 48.746 1.00 105.51 ? 359 THR A C 1 ATOM 965 O O . THR A 1 122 ? -42.961 -7.545 48.799 1.00 82.88 ? 359 THR A O 1 ATOM 966 C CB . THR A 1 122 ? -42.587 -4.404 49.058 1.00 89.59 ? 359 THR A CB 1 ATOM 967 O OG1 . THR A 1 122 ? -42.075 -4.084 47.753 1.00 85.76 ? 359 THR A OG1 1 ATOM 968 C CG2 . THR A 1 122 ? -42.463 -3.194 49.949 1.00 76.51 ? 359 THR A CG2 1 ATOM 969 N N . LYS A 1 123 ? -40.960 -7.075 47.911 1.00 93.37 ? 360 LYS A N 1 ATOM 970 C CA . LYS A 1 123 ? -41.056 -8.103 46.882 1.00 82.31 ? 360 LYS A CA 1 ATOM 971 C C . LYS A 1 123 ? -40.646 -9.502 47.354 1.00 88.26 ? 360 LYS A C 1 ATOM 972 O O . LYS A 1 123 ? -40.254 -9.702 48.505 1.00 79.06 ? 360 LYS A O 1 ATOM 973 C CB . LYS A 1 123 ? -40.226 -7.707 45.666 1.00 52.09 ? 360 LYS A CB 1 ATOM 974 C CG . LYS A 1 123 ? -40.006 -6.233 45.513 1.00 48.03 ? 360 LYS A CG 1 ATOM 975 C CD . LYS A 1 123 ? -41.227 -5.510 45.006 1.00 76.31 ? 360 LYS A CD 1 ATOM 976 C CE . LYS A 1 123 ? -40.959 -4.859 43.666 1.00 64.59 ? 360 LYS A CE 1 ATOM 977 N NZ . LYS A 1 123 ? -40.313 -5.852 42.765 1.00 67.70 ? 360 LYS A NZ 1 ATOM 978 N N . ASN A 1 124 ? -40.748 -10.467 46.442 1.00 98.64 ? 361 ASN A N 1 ATOM 979 C CA . ASN A 1 124 ? -40.422 -11.866 46.723 1.00 109.27 ? 361 ASN A CA 1 ATOM 980 C C . ASN A 1 124 ? -39.237 -12.308 45.875 1.00 97.64 ? 361 ASN A C 1 ATOM 981 O O . ASN A 1 124 ? -38.970 -13.501 45.706 1.00 84.45 ? 361 ASN A O 1 ATOM 982 C CB . ASN A 1 124 ? -41.639 -12.773 46.495 1.00 114.09 ? 361 ASN A CB 1 ATOM 983 C CG . ASN A 1 124 ? -42.355 -12.471 45.194 1.00 125.18 ? 361 ASN A CG 1 ATOM 984 O OD1 . ASN A 1 124 ? -41.739 -12.065 44.205 1.00 140.99 ? 361 ASN A OD1 1 ATOM 985 N ND2 . ASN A 1 124 ? -43.668 -12.651 45.193 1.00 113.11 ? 361 ASN A ND2 1 ATOM 986 N N . GLN A 1 125 ? -38.561 -11.309 45.322 1.00 101.78 ? 362 GLN A N 1 ATOM 987 C CA . GLN A 1 125 ? -37.256 -11.462 44.701 1.00 78.00 ? 362 GLN A CA 1 ATOM 988 C C . GLN A 1 125 ? -36.457 -10.194 44.982 1.00 87.11 ? 362 GLN A C 1 ATOM 989 O O . GLN A 1 125 ? -36.996 -9.089 44.951 1.00 75.60 ? 362 GLN A O 1 ATOM 990 C CB . GLN A 1 125 ? -37.378 -11.706 43.201 1.00 104.81 ? 362 GLN A CB 1 ATOM 991 C CG . GLN A 1 125 ? -37.730 -13.136 42.830 1.00 111.27 ? 362 GLN A CG 1 ATOM 992 C CD . GLN A 1 125 ? -37.061 -13.560 41.541 1.00 115.44 ? 362 GLN A CD 1 ATOM 993 O OE1 . GLN A 1 125 ? -36.969 -12.774 40.601 1.00 113.77 ? 362 GLN A OE1 1 ATOM 994 N NE2 . GLN A 1 125 ? -36.574 -14.800 41.495 1.00 110.47 ? 362 GLN A NE2 1 ATOM 995 N N . VAL A 1 126 ? -35.170 -10.349 45.260 1.00 104.38 ? 363 VAL A N 1 ATOM 996 C CA . VAL A 1 126 ? -34.388 -9.230 45.770 1.00 79.64 ? 363 VAL A CA 1 ATOM 997 C C . VAL A 1 126 ? -33.059 -9.039 45.012 1.00 82.66 ? 363 VAL A C 1 ATOM 998 O O . VAL A 1 126 ? -32.495 -10.002 44.490 1.00 116.71 ? 363 VAL A O 1 ATOM 999 C CB . VAL A 1 126 ? -34.204 -9.389 47.299 1.00 69.72 ? 363 VAL A CB 1 ATOM 1000 C CG1 . VAL A 1 126 ? -32.758 -9.310 47.691 1.00 60.88 ? 363 VAL A CG1 1 ATOM 1001 C CG2 . VAL A 1 126 ? -35.062 -8.376 48.063 1.00 55.05 ? 363 VAL A CG2 1 ATOM 1002 N N . SER A 1 127 ? -32.580 -7.797 44.936 1.00 55.16 ? 364 SER A N 1 ATOM 1003 C CA . SER A 1 127 ? -31.373 -7.464 44.165 1.00 64.27 ? 364 SER A CA 1 ATOM 1004 C C . SER A 1 127 ? -30.093 -7.240 45.000 1.00 53.83 ? 364 SER A C 1 ATOM 1005 O O . SER A 1 127 ? -30.037 -6.390 45.890 1.00 55.76 ? 364 SER A O 1 ATOM 1006 C CB . SER A 1 127 ? -31.628 -6.257 43.248 1.00 61.14 ? 364 SER A CB 1 ATOM 1007 O OG . SER A 1 127 ? -32.825 -6.417 42.491 1.00 75.04 ? 364 SER A OG 1 ATOM 1008 N N . LEU A 1 128 ? -29.073 -8.036 44.687 1.00 55.76 ? 365 LEU A N 1 ATOM 1009 C CA . LEU A 1 128 ? -27.734 -7.871 45.231 1.00 28.89 ? 365 LEU A CA 1 ATOM 1010 C C . LEU A 1 128 ? -26.881 -7.153 44.192 1.00 56.14 ? 365 LEU A C 1 ATOM 1011 O O . LEU A 1 128 ? -26.913 -7.488 43.011 1.00 37.86 ? 365 LEU A O 1 ATOM 1012 C CB . LEU A 1 128 ? -27.151 -9.241 45.575 1.00 56.77 ? 365 LEU A CB 1 ATOM 1013 C CG . LEU A 1 128 ? -27.949 -9.978 46.654 1.00 81.54 ? 365 LEU A CG 1 ATOM 1014 C CD1 . LEU A 1 128 ? -27.386 -11.343 47.011 1.00 60.64 ? 365 LEU A CD1 1 ATOM 1015 C CD2 . LEU A 1 128 ? -28.027 -9.123 47.888 1.00 76.23 ? 365 LEU A CD2 1 ATOM 1016 N N . THR A 1 129 ? -26.127 -6.155 44.634 1.00 47.36 ? 366 THR A N 1 ATOM 1017 C CA . THR A 1 129 ? -25.369 -5.306 43.717 1.00 46.41 ? 366 THR A CA 1 ATOM 1018 C C . THR A 1 129 ? -23.850 -5.412 43.925 1.00 68.23 ? 366 THR A C 1 ATOM 1019 O O . THR A 1 129 ? -23.353 -5.352 45.052 1.00 50.38 ? 366 THR A O 1 ATOM 1020 C CB . THR A 1 129 ? -25.819 -3.834 43.840 1.00 55.65 ? 366 THR A CB 1 ATOM 1021 O OG1 . THR A 1 129 ? -27.139 -3.696 43.299 1.00 59.39 ? 366 THR A OG1 1 ATOM 1022 C CG2 . THR A 1 129 ? -24.886 -2.892 43.112 1.00 47.18 ? 366 THR A CG2 1 ATOM 1023 N N . CYS A 1 130 ? -23.112 -5.574 42.832 1.00 45.93 ? 367 CYS A N 1 ATOM 1024 C CA . CYS A 1 130 ? -21.666 -5.576 42.925 1.00 56.66 ? 367 CYS A CA 1 ATOM 1025 C C . CYS A 1 130 ? -21.177 -4.457 42.066 1.00 49.64 ? 367 CYS A C 1 ATOM 1026 O O . CYS A 1 130 ? -21.362 -4.486 40.845 1.00 43.87 ? 367 CYS A O 1 ATOM 1027 C CB . CYS A 1 130 ? -21.081 -6.883 42.407 1.00 104.20 ? 367 CYS A CB 1 ATOM 1028 S SG . CYS A 1 130 ? -19.359 -7.146 42.859 1.00 73.20 ? 367 CYS A SG 1 ATOM 1029 N N . LEU A 1 131 ? -20.579 -3.460 42.707 1.00 33.65 ? 368 LEU A N 1 ATOM 1030 C CA . LEU A 1 131 ? -19.997 -2.328 42.002 1.00 30.54 ? 368 LEU A CA 1 ATOM 1031 C C . LEU A 1 131 ? -18.517 -2.544 41.904 1.00 63.86 ? 368 LEU A C 1 ATOM 1032 O O . LEU A 1 131 ? -17.835 -2.685 42.916 1.00 72.39 ? 368 LEU A O 1 ATOM 1033 C CB . LEU A 1 131 ? -20.274 -1.037 42.753 1.00 35.86 ? 368 LEU A CB 1 ATOM 1034 C CG . LEU A 1 131 ? -19.301 0.139 42.612 1.00 47.56 ? 368 LEU A CG 1 ATOM 1035 C CD1 . LEU A 1 131 ? -19.347 0.760 41.233 1.00 38.77 ? 368 LEU A CD1 1 ATOM 1036 C CD2 . LEU A 1 131 ? -19.574 1.192 43.708 1.00 42.36 ? 368 LEU A CD2 1 ATOM 1037 N N . VAL A 1 132 ? -18.025 -2.563 40.671 1.00 52.50 ? 369 VAL A N 1 ATOM 1038 C CA . VAL A 1 132 ? -16.618 -2.813 40.368 1.00 40.54 ? 369 VAL A CA 1 ATOM 1039 C C . VAL A 1 132 ? -16.081 -1.613 39.593 1.00 49.46 ? 369 VAL A C 1 ATOM 1040 O O . VAL A 1 132 ? -16.225 -1.537 38.374 1.00 76.97 ? 369 VAL A O 1 ATOM 1041 C CB . VAL A 1 132 ? -16.496 -4.070 39.503 1.00 48.39 ? 369 VAL A CB 1 ATOM 1042 C CG1 . VAL A 1 132 ? -15.035 -4.466 39.256 1.00 43.44 ? 369 VAL A CG1 1 ATOM 1043 C CG2 . VAL A 1 132 ? -17.236 -5.206 40.162 1.00 63.34 ? 369 VAL A CG2 1 ATOM 1044 N N . LYS A 1 133 ? -15.481 -0.666 40.303 1.00 44.70 ? 370 LYS A N 1 ATOM 1045 C CA . LYS A 1 133 ? -15.010 0.569 39.674 1.00 51.61 ? 370 LYS A CA 1 ATOM 1046 C C . LYS A 1 133 ? -13.501 0.773 39.745 1.00 76.79 ? 370 LYS A C 1 ATOM 1047 O O . LYS A 1 133 ? -12.805 0.271 40.636 1.00 64.72 ? 370 LYS A O 1 ATOM 1048 C CB . LYS A 1 133 ? -15.657 1.787 40.329 1.00 34.60 ? 370 LYS A CB 1 ATOM 1049 C CG . LYS A 1 133 ? -15.391 1.858 41.821 1.00 46.18 ? 370 LYS A CG 1 ATOM 1050 C CD . LYS A 1 133 ? -15.724 3.215 42.373 1.00 61.33 ? 370 LYS A CD 1 ATOM 1051 C CE . LYS A 1 133 ? -14.863 4.300 41.761 1.00 66.18 ? 370 LYS A CE 1 ATOM 1052 N NZ . LYS A 1 133 ? -14.492 5.296 42.812 1.00 72.63 ? 370 LYS A NZ 1 ATOM 1053 N N . GLY A 1 134 ? -12.997 1.555 38.807 1.00 61.40 ? 371 GLY A N 1 ATOM 1054 C CA . GLY A 1 134 ? -11.631 2.010 38.903 1.00 56.98 ? 371 GLY A CA 1 ATOM 1055 C C . GLY A 1 134 ? -10.648 1.219 38.085 1.00 45.74 ? 371 GLY A C 1 ATOM 1056 O O . GLY A 1 134 ? -9.463 1.482 38.156 1.00 67.99 ? 371 GLY A O 1 ATOM 1057 N N . PHE A 1 135 ? -11.137 0.279 37.294 1.00 54.38 ? 372 PHE A N 1 ATOM 1058 C CA . PHE A 1 135 ? -10.265 -0.625 36.572 1.00 48.02 ? 372 PHE A CA 1 ATOM 1059 C C . PHE A 1 135 ? -9.891 -0.155 35.162 1.00 40.11 ? 372 PHE A C 1 ATOM 1060 O O . PHE A 1 135 ? -10.513 0.724 34.579 1.00 46.58 ? 372 PHE A O 1 ATOM 1061 C CB . PHE A 1 135 ? -10.846 -2.058 36.568 1.00 75.29 ? 372 PHE A CB 1 ATOM 1062 C CG . PHE A 1 135 ? -12.200 -2.209 35.867 1.00 23.91 ? 372 PHE A CG 1 ATOM 1063 C CD1 . PHE A 1 135 ? -12.263 -2.309 34.497 1.00 45.79 ? 372 PHE A CD1 1 ATOM 1064 C CD2 . PHE A 1 135 ? -13.367 -2.341 36.576 1.00 66.50 ? 372 PHE A CD2 1 ATOM 1065 C CE1 . PHE A 1 135 ? -13.458 -2.491 33.831 1.00 61.79 ? 372 PHE A CE1 1 ATOM 1066 C CE2 . PHE A 1 135 ? -14.593 -2.525 35.908 1.00 72.37 ? 372 PHE A CE2 1 ATOM 1067 C CZ . PHE A 1 135 ? -14.631 -2.602 34.540 1.00 63.08 ? 372 PHE A CZ 1 ATOM 1068 N N . TYR A 1 136 ? -8.837 -0.762 34.648 1.00 47.85 ? 373 TYR A N 1 ATOM 1069 C CA . TYR A 1 136 ? -8.269 -0.462 33.346 1.00 54.68 ? 373 TYR A CA 1 ATOM 1070 C C . TYR A 1 136 ? -7.259 -1.588 33.122 1.00 61.98 ? 373 TYR A C 1 ATOM 1071 O O . TYR A 1 136 ? -6.524 -1.949 34.049 1.00 35.97 ? 373 TYR A O 1 ATOM 1072 C CB . TYR A 1 136 ? -7.558 0.920 33.275 1.00 36.91 ? 373 TYR A CB 1 ATOM 1073 C CG . TYR A 1 136 ? -7.247 1.268 31.830 1.00 36.40 ? 373 TYR A CG 1 ATOM 1074 C CD1 . TYR A 1 136 ? -8.055 2.117 31.106 1.00 34.53 ? 373 TYR A CD1 1 ATOM 1075 C CD2 . TYR A 1 136 ? -6.180 0.676 31.169 1.00 51.96 ? 373 TYR A CD2 1 ATOM 1076 C CE1 . TYR A 1 136 ? -7.788 2.388 29.776 1.00 30.61 ? 373 TYR A CE1 1 ATOM 1077 C CE2 . TYR A 1 136 ? -5.918 0.940 29.848 1.00 53.75 ? 373 TYR A CE2 1 ATOM 1078 C CZ . TYR A 1 136 ? -6.720 1.794 29.158 1.00 28.26 ? 373 TYR A CZ 1 ATOM 1079 O OH . TYR A 1 136 ? -6.444 2.047 27.845 1.00 55.11 ? 373 TYR A OH 1 ATOM 1080 N N . PRO A 1 137 ? -7.244 -2.181 31.914 1.00 47.87 ? 374 PRO A N 1 ATOM 1081 C CA . PRO A 1 137 ? -8.163 -1.886 30.807 1.00 46.70 ? 374 PRO A CA 1 ATOM 1082 C C . PRO A 1 137 ? -9.555 -2.457 31.105 1.00 71.55 ? 374 PRO A C 1 ATOM 1083 O O . PRO A 1 137 ? -9.781 -2.912 32.233 1.00 48.09 ? 374 PRO A O 1 ATOM 1084 C CB . PRO A 1 137 ? -7.485 -2.576 29.624 1.00 49.00 ? 374 PRO A CB 1 ATOM 1085 C CG . PRO A 1 137 ? -6.790 -3.731 30.232 1.00 32.07 ? 374 PRO A CG 1 ATOM 1086 C CD . PRO A 1 137 ? -6.346 -3.300 31.591 1.00 35.11 ? 374 PRO A CD 1 ATOM 1087 N N . SER A 1 138 ? -10.471 -2.421 30.143 1.00 61.89 ? 375 SER A N 1 ATOM 1088 C CA . SER A 1 138 ? -11.871 -2.723 30.447 1.00 39.43 ? 375 SER A CA 1 ATOM 1089 C C . SER A 1 138 ? -12.216 -4.189 30.239 1.00 54.32 ? 375 SER A C 1 ATOM 1090 O O . SER A 1 138 ? -13.362 -4.596 30.423 1.00 39.77 ? 375 SER A O 1 ATOM 1091 C CB . SER A 1 138 ? -12.776 -1.847 29.604 1.00 28.63 ? 375 SER A CB 1 ATOM 1092 O OG . SER A 1 138 ? -12.532 -2.090 28.234 1.00 50.43 ? 375 SER A OG 1 ATOM 1093 N N . ASP A 1 139 ? -11.220 -4.974 29.838 1.00 46.46 ? 376 ASP A N 1 ATOM 1094 C CA . ASP A 1 139 ? -11.384 -6.404 29.775 1.00 41.02 ? 376 ASP A CA 1 ATOM 1095 C C . ASP A 1 139 ? -11.474 -6.875 31.198 1.00 46.58 ? 376 ASP A C 1 ATOM 1096 O O . ASP A 1 139 ? -10.560 -6.657 31.964 1.00 50.18 ? 376 ASP A O 1 ATOM 1097 C CB . ASP A 1 139 ? -10.167 -7.027 29.122 1.00 53.46 ? 376 ASP A CB 1 ATOM 1098 C CG . ASP A 1 139 ? -9.995 -6.590 27.700 1.00 74.41 ? 376 ASP A CG 1 ATOM 1099 O OD1 . ASP A 1 139 ? -9.715 -5.388 27.518 1.00 57.90 ? 376 ASP A OD1 1 ATOM 1100 O OD2 . ASP A 1 139 ? -10.114 -7.443 26.783 1.00 102.04 ? 376 ASP A OD2 1 ATOM 1101 N N . ILE A 1 140 ? -12.579 -7.498 31.564 1.00 36.05 ? 377 ILE A N 1 ATOM 1102 C CA . ILE A 1 140 ? -12.754 -7.940 32.931 1.00 34.83 ? 377 ILE A CA 1 ATOM 1103 C C . ILE A 1 140 ? -13.829 -9.006 32.896 1.00 50.24 ? 377 ILE A C 1 ATOM 1104 O O . ILE A 1 140 ? -14.455 -9.214 31.874 1.00 27.92 ? 377 ILE A O 1 ATOM 1105 C CB . ILE A 1 140 ? -13.161 -6.755 33.794 1.00 49.22 ? 377 ILE A CB 1 ATOM 1106 C CG1 . ILE A 1 140 ? -13.064 -7.071 35.273 1.00 50.72 ? 377 ILE A CG1 1 ATOM 1107 C CG2 . ILE A 1 140 ? -14.562 -6.301 33.454 1.00 50.06 ? 377 ILE A CG2 1 ATOM 1108 C CD1 . ILE A 1 140 ? -13.483 -5.906 36.114 1.00 38.20 ? 377 ILE A CD1 1 ATOM 1109 N N . ALA A 1 141 ? -14.025 -9.704 34.001 1.00 45.33 ? 378 ALA A N 1 ATOM 1110 C CA . ALA A 1 141 ? -14.981 -10.797 34.050 1.00 32.05 ? 378 ALA A CA 1 ATOM 1111 C C . ALA A 1 141 ? -15.538 -10.872 35.460 1.00 67.27 ? 378 ALA A C 1 ATOM 1112 O O . ALA A 1 141 ? -14.772 -10.928 36.433 1.00 66.49 ? 378 ALA A O 1 ATOM 1113 C CB . ALA A 1 141 ? -14.301 -12.112 33.676 1.00 30.89 ? 378 ALA A CB 1 ATOM 1114 N N . VAL A 1 142 ? -16.864 -10.879 35.568 1.00 58.74 ? 379 VAL A N 1 ATOM 1115 C CA . VAL A 1 142 ? -17.531 -10.861 36.863 1.00 57.43 ? 379 VAL A CA 1 ATOM 1116 C C . VAL A 1 142 ? -18.478 -12.029 36.959 1.00 61.38 ? 379 VAL A C 1 ATOM 1117 O O . VAL A 1 142 ? -19.132 -12.365 35.973 1.00 69.35 ? 379 VAL A O 1 ATOM 1118 C CB . VAL A 1 142 ? -18.389 -9.606 36.979 1.00 39.96 ? 379 VAL A CB 1 ATOM 1119 C CG1 . VAL A 1 142 ? -18.709 -9.292 38.424 1.00 27.88 ? 379 VAL A CG1 1 ATOM 1120 C CG2 . VAL A 1 142 ? -17.691 -8.464 36.316 1.00 37.05 ? 379 VAL A CG2 1 ATOM 1121 N N . GLU A 1 143 ? -18.574 -12.627 38.143 1.00 46.62 ? 380 GLU A N 1 ATOM 1122 C CA . GLU A 1 143 ? -19.462 -13.771 38.352 1.00 45.22 ? 380 GLU A CA 1 ATOM 1123 C C . GLU A 1 143 ? -19.964 -13.841 39.781 1.00 64.73 ? 380 GLU A C 1 ATOM 1124 O O . GLU A 1 143 ? -19.354 -13.283 40.710 1.00 58.84 ? 380 GLU A O 1 ATOM 1125 C CB . GLU A 1 143 ? -18.765 -15.086 37.987 1.00 60.99 ? 380 GLU A CB 1 ATOM 1126 C CG . GLU A 1 143 ? -18.588 -15.280 36.481 1.00 80.69 ? 380 GLU A CG 1 ATOM 1127 C CD . GLU A 1 143 ? -17.721 -16.454 36.089 1.00 99.48 ? 380 GLU A CD 1 ATOM 1128 O OE1 . GLU A 1 143 ? -17.201 -17.161 36.993 1.00 97.24 ? 380 GLU A OE1 1 ATOM 1129 O OE2 . GLU A 1 143 ? -17.587 -16.647 34.855 1.00 63.93 ? 380 GLU A OE2 1 ATOM 1130 N N . TRP A 1 144 ? -21.087 -14.526 39.957 1.00 48.51 ? 381 TRP A N 1 ATOM 1131 C CA . TRP A 1 144 ? -21.718 -14.600 41.268 1.00 54.66 ? 381 TRP A CA 1 ATOM 1132 C C . TRP A 1 144 ? -21.760 -16.025 41.748 1.00 43.86 ? 381 TRP A C 1 ATOM 1133 O O . TRP A 1 144 ? -21.866 -16.955 40.956 1.00 40.66 ? 381 TRP A O 1 ATOM 1134 C CB . TRP A 1 144 ? -23.155 -14.056 41.236 1.00 68.25 ? 381 TRP A CB 1 ATOM 1135 C CG . TRP A 1 144 ? -23.235 -12.597 41.258 1.00 38.39 ? 381 TRP A CG 1 ATOM 1136 C CD1 . TRP A 1 144 ? -23.279 -11.782 40.202 1.00 29.64 ? 381 TRP A CD1 1 ATOM 1137 C CD2 . TRP A 1 144 ? -23.277 -11.766 42.421 1.00 29.69 ? 381 TRP A CD2 1 ATOM 1138 N NE1 . TRP A 1 144 ? -23.350 -10.480 40.619 1.00 46.84 ? 381 TRP A NE1 1 ATOM 1139 C CE2 . TRP A 1 144 ? -23.344 -10.453 42.002 1.00 22.92 ? 381 TRP A CE2 1 ATOM 1140 C CE3 . TRP A 1 144 ? -23.286 -12.018 43.792 1.00 44.77 ? 381 TRP A CE3 1 ATOM 1141 C CZ2 . TRP A 1 144 ? -23.413 -9.373 42.867 1.00 41.18 ? 381 TRP A CZ2 1 ATOM 1142 C CZ3 . TRP A 1 144 ? -23.339 -10.940 44.666 1.00 35.59 ? 381 TRP A CZ3 1 ATOM 1143 C CH2 . TRP A 1 144 ? -23.409 -9.640 44.196 1.00 47.73 ? 381 TRP A CH2 1 ATOM 1144 N N . GLU A 1 145 ? -21.760 -16.196 43.056 1.00 37.24 ? 382 GLU A N 1 ATOM 1145 C CA . GLU A 1 145 ? -21.907 -17.522 43.579 1.00 38.53 ? 382 GLU A CA 1 ATOM 1146 C C . GLU A 1 145 ? -22.286 -17.473 45.023 1.00 78.62 ? 382 GLU A C 1 ATOM 1147 O O . GLU A 1 145 ? -22.231 -16.407 45.657 1.00 42.95 ? 382 GLU A O 1 ATOM 1148 C CB . GLU A 1 145 ? -20.590 -18.254 43.466 1.00 46.40 ? 382 GLU A CB 1 ATOM 1149 C CG . GLU A 1 145 ? -19.528 -17.773 44.426 1.00 62.42 ? 382 GLU A CG 1 ATOM 1150 C CD . GLU A 1 145 ? -18.251 -18.575 44.280 1.00 106.70 ? 382 GLU A CD 1 ATOM 1151 O OE1 . GLU A 1 145 ? -17.726 -18.637 43.148 1.00 109.14 ? 382 GLU A OE1 1 ATOM 1152 O OE2 . GLU A 1 145 ? -17.798 -19.151 45.294 1.00 80.01 ? 382 GLU A OE2 1 ATOM 1153 N N . SER A 1 146 ? -22.669 -18.643 45.532 1.00 58.56 ? 383 SER A N 1 ATOM 1154 C CA . SER A 1 146 ? -22.914 -18.819 46.950 1.00 66.17 ? 383 SER A CA 1 ATOM 1155 C C . SER A 1 146 ? -22.783 -20.251 47.373 1.00 81.26 ? 383 SER A C 1 ATOM 1156 O O . SER A 1 146 ? -23.030 -21.172 46.591 1.00 64.69 ? 383 SER A O 1 ATOM 1157 C CB . SER A 1 146 ? -24.273 -18.279 47.338 1.00 92.39 ? 383 SER A CB 1 ATOM 1158 O OG . SER A 1 146 ? -24.176 -17.642 48.593 1.00 108.26 ? 383 SER A OG 1 ATOM 1159 N N . ASN A 1 147 ? -22.404 -20.416 48.636 1.00 108.90 ? 384 ASN A N 1 ATOM 1160 C CA . ASN A 1 147 ? -22.078 -21.718 49.195 1.00 103.23 ? 384 ASN A CA 1 ATOM 1161 C C . ASN A 1 147 ? -21.120 -22.501 48.299 1.00 96.27 ? 384 ASN A C 1 ATOM 1162 O O . ASN A 1 147 ? -21.272 -23.708 48.122 1.00 104.24 ? 384 ASN A O 1 ATOM 1163 C CB . ASN A 1 147 ? -23.350 -22.523 49.448 1.00 144.03 ? 384 ASN A CB 1 ATOM 1164 C CG . ASN A 1 147 ? -23.147 -23.608 50.479 1.00 177.53 ? 384 ASN A CG 1 ATOM 1165 O OD1 . ASN A 1 147 ? -22.889 -24.765 50.139 1.00 177.19 ? 384 ASN A OD1 1 ATOM 1166 N ND2 . ASN A 1 147 ? -23.259 -23.239 51.755 1.00 194.25 ? 384 ASN A ND2 1 ATOM 1167 N N . GLY A 1 148 ? -20.159 -21.804 47.701 1.00 83.67 ? 385 GLY A N 1 ATOM 1168 C CA . GLY A 1 148 ? -19.201 -22.454 46.828 1.00 87.10 ? 385 GLY A CA 1 ATOM 1169 C C . GLY A 1 148 ? -19.762 -22.834 45.475 1.00 85.63 ? 385 GLY A C 1 ATOM 1170 O O . GLY A 1 148 ? -19.009 -23.078 44.530 1.00 80.40 ? 385 GLY A O 1 ATOM 1171 N N . GLN A 1 149 ? -21.089 -22.885 45.383 1.00 77.40 ? 386 GLN A N 1 ATOM 1172 C CA . GLN A 1 149 ? -21.770 -23.204 44.129 1.00 78.23 ? 386 GLN A CA 1 ATOM 1173 C C . GLN A 1 149 ? -22.095 -21.909 43.363 1.00 59.68 ? 386 GLN A C 1 ATOM 1174 O O . GLN A 1 149 ? -22.162 -20.850 43.972 1.00 61.83 ? 386 GLN A O 1 ATOM 1175 C CB . GLN A 1 149 ? -23.023 -24.064 44.389 1.00 94.19 ? 386 GLN A CB 1 ATOM 1176 C CG . GLN A 1 149 ? -22.748 -25.475 44.979 1.00 163.00 ? 386 GLN A CG 1 ATOM 1177 C CD . GLN A 1 149 ? -21.481 -26.135 44.431 1.00 152.52 ? 386 GLN A CD 1 ATOM 1178 O OE1 . GLN A 1 149 ? -21.258 -26.004 43.398 1.00 136.87 ? 386 GLN A OE1 1 ATOM 1179 N NE2 . GLN A 1 149 ? -20.691 -26.721 45.143 1.00 149.06 ? 386 GLN A NE2 1 ATOM 1180 N N . PRO A 1 150 ? -22.266 -21.978 42.025 1.00 59.97 ? 387 PRO A N 1 ATOM 1181 C CA . PRO A 1 150 ? -22.484 -20.739 41.250 1.00 77.33 ? 387 PRO A CA 1 ATOM 1182 C C . PRO A 1 150 ? -23.928 -20.247 41.217 1.00 76.17 ? 387 PRO A C 1 ATOM 1183 O O . PRO A 1 150 ? -24.849 -20.999 41.526 1.00 79.39 ? 387 PRO A O 1 ATOM 1184 C CB . PRO A 1 150 ? -22.040 -21.113 39.829 1.00 49.81 ? 387 PRO A CB 1 ATOM 1185 C CG . PRO A 1 150 ? -21.979 -22.615 39.792 1.00 68.91 ? 387 PRO A CG 1 ATOM 1186 C CD . PRO A 1 150 ? -22.305 -23.165 41.163 1.00 36.12 ? 387 PRO A CD 1 ATOM 1187 N N . GLU A 1 151 ? -24.101 -18.978 40.874 1.00 82.53 ? 388 GLU A N 1 ATOM 1188 C CA . GLU A 1 151 ? -25.427 -18.402 40.698 1.00 70.84 ? 388 GLU A CA 1 ATOM 1189 C C . GLU A 1 151 ? -25.693 -18.193 39.217 1.00 66.50 ? 388 GLU A C 1 ATOM 1190 O O . GLU A 1 151 ? -24.770 -18.063 38.432 1.00 72.74 ? 388 GLU A O 1 ATOM 1191 C CB . GLU A 1 151 ? -25.517 -17.075 41.433 1.00 67.87 ? 388 GLU A CB 1 ATOM 1192 C CG . GLU A 1 151 ? -25.522 -17.210 42.924 1.00 60.85 ? 388 GLU A CG 1 ATOM 1193 C CD . GLU A 1 151 ? -26.837 -17.719 43.427 1.00 80.97 ? 388 GLU A CD 1 ATOM 1194 O OE1 . GLU A 1 151 ? -26.865 -18.253 44.553 1.00 84.31 ? 388 GLU A OE1 1 ATOM 1195 O OE2 . GLU A 1 151 ? -27.841 -17.591 42.688 1.00 79.35 ? 388 GLU A OE2 1 ATOM 1196 N N . ASN A 1 152 ? -26.941 -18.163 38.803 1.00 77.55 ? 389 ASN A N 1 ATOM 1197 C CA . ASN A 1 152 ? -27.148 -18.069 37.371 1.00 101.93 ? 389 ASN A CA 1 ATOM 1198 C C . ASN A 1 152 ? -28.108 -16.962 37.004 1.00 103.50 ? 389 ASN A C 1 ATOM 1199 O O . ASN A 1 152 ? -28.193 -16.564 35.842 1.00 135.12 ? 389 ASN A O 1 ATOM 1200 C CB . ASN A 1 152 ? -27.568 -19.423 36.785 1.00 116.75 ? 389 ASN A CB 1 ATOM 1201 C CG . ASN A 1 152 ? -28.124 -20.363 37.842 1.00 119.76 ? 389 ASN A CG 1 ATOM 1202 O OD1 . ASN A 1 152 ? -28.578 -19.924 38.902 1.00 102.13 ? 389 ASN A OD1 1 ATOM 1203 N ND2 . ASN A 1 152 ? -28.089 -21.659 37.563 1.00 132.25 ? 389 ASN A ND2 1 ATOM 1204 N N . ASN A 1 153 ? -28.835 -16.456 37.992 1.00 54.19 ? 390 ASN A N 1 ATOM 1205 C CA . ASN A 1 153 ? -29.657 -15.296 37.724 1.00 79.07 ? 390 ASN A CA 1 ATOM 1206 C C . ASN A 1 153 ? -28.993 -13.957 38.084 1.00 69.32 ? 390 ASN A C 1 ATOM 1207 O O . ASN A 1 153 ? -29.301 -13.345 39.105 1.00 87.16 ? 390 ASN A O 1 ATOM 1208 C CB . ASN A 1 153 ? -31.028 -15.415 38.364 1.00 83.80 ? 390 ASN A CB 1 ATOM 1209 C CG . ASN A 1 153 ? -31.997 -14.458 37.752 1.00 62.53 ? 390 ASN A CG 1 ATOM 1210 O OD1 . ASN A 1 153 ? -31.998 -13.272 38.077 1.00 130.84 ? 390 ASN A OD1 1 ATOM 1211 N ND2 . ASN A 1 153 ? -32.770 -14.937 36.794 1.00 59.89 ? 390 ASN A ND2 1 ATOM 1212 N N . TYR A 1 154 ? -28.084 -13.524 37.218 1.00 43.05 ? 391 TYR A N 1 ATOM 1213 C CA . TYR A 1 154 ? -27.365 -12.267 37.368 1.00 28.88 ? 391 TYR A CA 1 ATOM 1214 C C . TYR A 1 154 ? -27.096 -11.730 35.975 1.00 38.37 ? 391 TYR A C 1 ATOM 1215 O O . TYR A 1 154 ? -26.935 -12.469 35.021 1.00 25.85 ? 391 TYR A O 1 ATOM 1216 C CB . TYR A 1 154 ? -26.079 -12.424 38.183 1.00 39.05 ? 391 TYR A CB 1 ATOM 1217 C CG . TYR A 1 154 ? -24.934 -13.100 37.428 1.00 54.16 ? 391 TYR A CG 1 ATOM 1218 C CD1 . TYR A 1 154 ? -24.596 -14.401 37.673 1.00 50.48 ? 391 TYR A CD1 1 ATOM 1219 C CD2 . TYR A 1 154 ? -24.204 -12.416 36.463 1.00 76.90 ? 391 TYR A CD2 1 ATOM 1220 C CE1 . TYR A 1 154 ? -23.578 -15.000 36.985 1.00 70.92 ? 391 TYR A CE1 1 ATOM 1221 C CE2 . TYR A 1 154 ? -23.195 -13.019 35.759 1.00 55.31 ? 391 TYR A CE2 1 ATOM 1222 C CZ . TYR A 1 154 ? -22.879 -14.300 36.031 1.00 69.65 ? 391 TYR A CZ 1 ATOM 1223 O OH . TYR A 1 154 ? -21.854 -14.871 35.322 1.00 58.61 ? 391 TYR A OH 1 ATOM 1224 N N . LYS A 1 155 ? -27.082 -10.423 35.856 1.00 30.69 ? 392 LYS A N 1 ATOM 1225 C CA . LYS A 1 155 ? -26.815 -9.802 34.577 1.00 53.27 ? 392 LYS A CA 1 ATOM 1226 C C . LYS A 1 155 ? -25.841 -8.682 34.839 1.00 62.23 ? 392 LYS A C 1 ATOM 1227 O O . LYS A 1 155 ? -25.784 -8.117 35.935 1.00 44.49 ? 392 LYS A O 1 ATOM 1228 C CB . LYS A 1 155 ? -28.102 -9.287 33.925 1.00 45.02 ? 392 LYS A CB 1 ATOM 1229 C CG . LYS A 1 155 ? -28.994 -10.383 33.310 1.00 53.74 ? 392 LYS A CG 1 ATOM 1230 C CD . LYS A 1 155 ? -28.865 -10.444 31.786 1.00 82.02 ? 392 LYS A CD 1 ATOM 1231 C CE . LYS A 1 155 ? -29.733 -11.558 31.181 1.00 87.78 ? 392 LYS A CE 1 ATOM 1232 N NZ . LYS A 1 155 ? -29.575 -11.733 29.690 1.00 55.10 ? 392 LYS A NZ 1 ATOM 1233 N N . THR A 1 156 ? -25.033 -8.385 33.841 1.00 54.30 ? 393 THR A N 1 ATOM 1234 C CA . THR A 1 156 ? -23.945 -7.435 34.065 1.00 47.91 ? 393 THR A CA 1 ATOM 1235 C C . THR A 1 156 ? -23.898 -6.376 32.964 1.00 34.63 ? 393 THR A C 1 ATOM 1236 O O . THR A 1 156 ? -24.045 -6.678 31.774 1.00 40.55 ? 393 THR A O 1 ATOM 1237 C CB . THR A 1 156 ? -22.563 -8.154 34.258 1.00 35.84 ? 393 THR A CB 1 ATOM 1238 O OG1 . THR A 1 156 ? -22.546 -8.844 35.513 1.00 52.53 ? 393 THR A OG1 1 ATOM 1239 C CG2 . THR A 1 156 ? -21.410 -7.148 34.244 1.00 85.38 ? 393 THR A CG2 1 ATOM 1240 N N . THR A 1 157 ? -23.698 -5.129 33.375 1.00 24.71 ? 394 THR A N 1 ATOM 1241 C CA . THR A 1 157 ? -23.711 -4.003 32.450 1.00 32.89 ? 394 THR A CA 1 ATOM 1242 C C . THR A 1 157 ? -22.387 -3.949 31.768 1.00 23.40 ? 394 THR A C 1 ATOM 1243 O O . THR A 1 157 ? -21.426 -4.509 32.262 1.00 53.67 ? 394 THR A O 1 ATOM 1244 C CB . THR A 1 157 ? -23.854 -2.705 33.207 1.00 31.38 ? 394 THR A CB 1 ATOM 1245 O OG1 . THR A 1 157 ? -22.671 -2.496 33.966 1.00 50.23 ? 394 THR A OG1 1 ATOM 1246 C CG2 . THR A 1 157 ? -24.978 -2.784 34.162 1.00 56.69 ? 394 THR A CG2 1 ATOM 1247 N N . PRO A 1 158 ? -22.317 -3.285 30.612 1.00 44.61 ? 395 PRO A N 1 ATOM 1248 C CA . PRO A 1 158 ? -21.009 -3.061 29.995 1.00 54.01 ? 395 PRO A CA 1 ATOM 1249 C C . PRO A 1 158 ? -20.131 -2.245 30.915 1.00 54.05 ? 395 PRO A C 1 ATOM 1250 O O . PRO A 1 158 ? -20.633 -1.641 31.844 1.00 75.48 ? 395 PRO A O 1 ATOM 1251 C CB . PRO A 1 158 ? -21.352 -2.217 28.764 1.00 50.95 ? 395 PRO A CB 1 ATOM 1252 C CG . PRO A 1 158 ? -22.702 -2.595 28.412 1.00 33.57 ? 395 PRO A CG 1 ATOM 1253 C CD . PRO A 1 158 ? -23.405 -2.886 29.711 1.00 59.10 ? 395 PRO A CD 1 ATOM 1254 N N . PRO A 1 159 ? -18.828 -2.245 30.668 1.00 66.18 ? 396 PRO A N 1 ATOM 1255 C CA . PRO A 1 159 ? -17.888 -1.317 31.290 1.00 37.19 ? 396 PRO A CA 1 ATOM 1256 C C . PRO A 1 159 ? -18.145 0.095 30.810 1.00 56.89 ? 396 PRO A C 1 ATOM 1257 O O . PRO A 1 159 ? -18.258 0.332 29.616 1.00 33.66 ? 396 PRO A O 1 ATOM 1258 C CB . PRO A 1 159 ? -16.542 -1.818 30.755 1.00 39.88 ? 396 PRO A CB 1 ATOM 1259 C CG . PRO A 1 159 ? -16.791 -3.290 30.488 1.00 39.85 ? 396 PRO A CG 1 ATOM 1260 C CD . PRO A 1 159 ? -18.129 -3.270 29.882 1.00 68.23 ? 396 PRO A CD 1 ATOM 1261 N N . VAL A 1 160 ? -18.245 1.033 31.735 1.00 20.76 ? 397 VAL A N 1 ATOM 1262 C CA . VAL A 1 160 ? -18.459 2.420 31.342 1.00 46.26 ? 397 VAL A CA 1 ATOM 1263 C C . VAL A 1 160 ? -17.240 3.306 31.614 1.00 65.41 ? 397 VAL A C 1 ATOM 1264 O O . VAL A 1 160 ? -16.659 3.308 32.716 1.00 31.89 ? 397 VAL A O 1 ATOM 1265 C CB . VAL A 1 160 ? -19.664 3.096 32.069 1.00 39.50 ? 397 VAL A CB 1 ATOM 1266 C CG1 . VAL A 1 160 ? -20.102 4.286 31.302 1.00 57.71 ? 397 VAL A CG1 1 ATOM 1267 C CG2 . VAL A 1 160 ? -20.812 2.180 32.219 1.00 38.69 ? 397 VAL A CG2 1 ATOM 1268 N N . LEU A 1 161 ? -16.852 4.071 30.604 1.00 46.14 ? 398 LEU A N 1 ATOM 1269 C CA . LEU A 1 161 ? -15.730 4.971 30.778 1.00 45.36 ? 398 LEU A CA 1 ATOM 1270 C C . LEU A 1 161 ? -16.097 6.021 31.791 1.00 40.60 ? 398 LEU A C 1 ATOM 1271 O O . LEU A 1 161 ? -16.933 6.893 31.537 1.00 61.31 ? 398 LEU A O 1 ATOM 1272 C CB . LEU A 1 161 ? -15.332 5.645 29.470 1.00 48.11 ? 398 LEU A CB 1 ATOM 1273 C CG . LEU A 1 161 ? -14.061 6.490 29.464 1.00 35.72 ? 398 LEU A CG 1 ATOM 1274 C CD1 . LEU A 1 161 ? -13.023 5.896 30.365 1.00 51.32 ? 398 LEU A CD1 1 ATOM 1275 C CD2 . LEU A 1 161 ? -13.576 6.441 28.055 1.00 42.78 ? 398 LEU A CD2 1 ATOM 1276 N N . ASP A 1 162 ? -15.480 5.910 32.955 1.00 52.74 ? 399 ASP A N 1 ATOM 1277 C CA . ASP A 1 162 ? -15.651 6.889 33.998 1.00 53.33 ? 399 ASP A CA 1 ATOM 1278 C C . ASP A 1 162 ? -14.870 8.150 33.649 1.00 65.08 ? 399 ASP A C 1 ATOM 1279 O O . ASP A 1 162 ? -14.167 8.192 32.644 1.00 69.25 ? 399 ASP A O 1 ATOM 1280 C CB . ASP A 1 162 ? -15.224 6.314 35.337 1.00 31.51 ? 399 ASP A CB 1 ATOM 1281 C CG . ASP A 1 162 ? -16.030 6.857 36.436 1.00 40.62 ? 399 ASP A CG 1 ATOM 1282 O OD1 . ASP A 1 162 ? -16.450 8.001 36.263 1.00 75.04 ? 399 ASP A OD1 1 ATOM 1283 O OD2 . ASP A 1 162 ? -16.260 6.192 37.457 1.00 44.33 ? 399 ASP A OD2 1 ATOM 1284 N N . SER A 1 163 ? -15.011 9.184 34.468 1.00 69.52 ? 400 SER A N 1 ATOM 1285 C CA . SER A 1 163 ? -14.468 10.501 34.150 1.00 68.32 ? 400 SER A CA 1 ATOM 1286 C C . SER A 1 163 ? -12.955 10.541 34.285 1.00 77.57 ? 400 SER A C 1 ATOM 1287 O O . SER A 1 163 ? -12.283 11.290 33.576 1.00 70.36 ? 400 SER A O 1 ATOM 1288 C CB . SER A 1 163 ? -15.121 11.582 35.023 1.00 68.55 ? 400 SER A CB 1 ATOM 1289 O OG . SER A 1 163 ? -15.512 11.068 36.289 1.00 78.57 ? 400 SER A OG 1 ATOM 1290 N N . ASP A 1 164 ? -12.418 9.738 35.193 1.00 72.10 ? 401 ASP A N 1 ATOM 1291 C CA . ASP A 1 164 ? -10.976 9.743 35.388 1.00 55.29 ? 401 ASP A CA 1 ATOM 1292 C C . ASP A 1 164 ? -10.203 8.820 34.461 1.00 42.50 ? 401 ASP A C 1 ATOM 1293 O O . ASP A 1 164 ? -9.052 8.524 34.733 1.00 57.11 ? 401 ASP A O 1 ATOM 1294 C CB . ASP A 1 164 ? -10.571 9.499 36.858 1.00 48.13 ? 401 ASP A CB 1 ATOM 1295 C CG . ASP A 1 164 ? -10.797 8.069 37.325 1.00 77.70 ? 401 ASP A CG 1 ATOM 1296 O OD1 . ASP A 1 164 ? -10.937 7.144 36.491 1.00 48.39 ? 401 ASP A OD1 1 ATOM 1297 O OD2 . ASP A 1 164 ? -10.794 7.873 38.559 1.00 82.34 ? 401 ASP A OD2 1 ATOM 1298 N N . GLY A 1 165 ? -10.820 8.358 33.383 1.00 49.84 ? 402 GLY A N 1 ATOM 1299 C CA . GLY A 1 165 ? -10.146 7.422 32.492 1.00 54.19 ? 402 GLY A CA 1 ATOM 1300 C C . GLY A 1 165 ? -10.272 5.950 32.872 1.00 65.48 ? 402 GLY A C 1 ATOM 1301 O O . GLY A 1 165 ? -9.946 5.091 32.069 1.00 72.53 ? 402 GLY A O 1 ATOM 1302 N N . SER A 1 166 ? -10.720 5.663 34.094 1.00 33.30 ? 403 SER A N 1 ATOM 1303 C CA . SER A 1 166 ? -10.943 4.299 34.557 1.00 50.74 ? 403 SER A CA 1 ATOM 1304 C C . SER A 1 166 ? -12.349 3.787 34.152 1.00 70.94 ? 403 SER A C 1 ATOM 1305 O O . SER A 1 166 ? -13.131 4.532 33.608 1.00 49.25 ? 403 SER A O 1 ATOM 1306 C CB . SER A 1 166 ? -10.793 4.245 36.067 1.00 33.53 ? 403 SER A CB 1 ATOM 1307 O OG . SER A 1 166 ? -12.070 4.259 36.677 1.00 76.19 ? 403 SER A OG 1 ATOM 1308 N N . PHE A 1 167 ? -12.657 2.517 34.400 1.00 47.79 ? 404 PHE A N 1 ATOM 1309 C CA . PHE A 1 167 ? -13.995 1.983 34.110 1.00 34.45 ? 404 PHE A CA 1 ATOM 1310 C C . PHE A 1 167 ? -14.714 1.477 35.330 1.00 59.74 ? 404 PHE A C 1 ATOM 1311 O O . PHE A 1 167 ? -14.106 0.989 36.284 1.00 46.30 ? 404 PHE A O 1 ATOM 1312 C CB . PHE A 1 167 ? -13.964 0.846 33.116 1.00 31.84 ? 404 PHE A CB 1 ATOM 1313 C CG . PHE A 1 167 ? -13.479 1.238 31.769 1.00 54.99 ? 404 PHE A CG 1 ATOM 1314 C CD1 . PHE A 1 167 ? -14.338 1.231 30.698 1.00 39.69 ? 404 PHE A CD1 1 ATOM 1315 C CD2 . PHE A 1 167 ? -12.159 1.587 31.562 1.00 30.02 ? 404 PHE A CD2 1 ATOM 1316 C CE1 . PHE A 1 167 ? -13.899 1.565 29.445 1.00 53.65 ? 404 PHE A CE1 1 ATOM 1317 C CE2 . PHE A 1 167 ? -11.718 1.906 30.315 1.00 61.12 ? 404 PHE A CE2 1 ATOM 1318 C CZ . PHE A 1 167 ? -12.581 1.903 29.252 1.00 51.72 ? 404 PHE A CZ 1 ATOM 1319 N N . PHE A 1 168 ? -16.037 1.608 35.285 1.00 42.77 ? 405 PHE A N 1 ATOM 1320 C CA . PHE A 1 168 ? -16.924 0.919 36.243 1.00 60.46 ? 405 PHE A CA 1 ATOM 1321 C C . PHE A 1 168 ? -17.946 0.058 35.517 1.00 51.54 ? 405 PHE A C 1 ATOM 1322 O O . PHE A 1 168 ? -18.180 0.183 34.298 1.00 25.69 ? 405 PHE A O 1 ATOM 1323 C CB . PHE A 1 168 ? -17.651 1.899 37.173 1.00 56.56 ? 405 PHE A CB 1 ATOM 1324 C CG . PHE A 1 168 ? -18.643 2.741 36.471 1.00 60.65 ? 405 PHE A CG 1 ATOM 1325 C CD1 . PHE A 1 168 ? -19.958 2.421 36.489 1.00 60.41 ? 405 PHE A CD1 1 ATOM 1326 C CD2 . PHE A 1 168 ? -18.246 3.821 35.731 1.00 82.53 ? 405 PHE A CD2 1 ATOM 1327 C CE1 . PHE A 1 168 ? -20.859 3.174 35.808 1.00 60.25 ? 405 PHE A CE1 1 ATOM 1328 C CE2 . PHE A 1 168 ? -19.158 4.576 35.046 1.00 86.41 ? 405 PHE A CE2 1 ATOM 1329 C CZ . PHE A 1 168 ? -20.457 4.253 35.087 1.00 37.80 ? 405 PHE A CZ 1 ATOM 1330 N N . LEU A 1 169 ? -18.516 -0.853 36.285 1.00 46.11 ? 406 LEU A N 1 ATOM 1331 C CA . LEU A 1 169 ? -19.650 -1.647 35.832 1.00 28.46 ? 406 LEU A CA 1 ATOM 1332 C C . LEU A 1 169 ? -20.357 -2.086 37.072 1.00 32.42 ? 406 LEU A C 1 ATOM 1333 O O . LEU A 1 169 ? -19.817 -1.982 38.173 1.00 67.69 ? 406 LEU A O 1 ATOM 1334 C CB . LEU A 1 169 ? -19.240 -2.835 34.963 1.00 24.03 ? 406 LEU A CB 1 ATOM 1335 C CG . LEU A 1 169 ? -18.233 -3.919 35.366 1.00 43.74 ? 406 LEU A CG 1 ATOM 1336 C CD1 . LEU A 1 169 ? -18.505 -4.617 36.672 1.00 28.81 ? 406 LEU A CD1 1 ATOM 1337 C CD2 . LEU A 1 169 ? -18.185 -4.962 34.251 1.00 46.11 ? 406 LEU A CD2 1 ATOM 1338 N N . TYR A 1 170 ? -21.573 -2.563 36.903 1.00 62.33 ? 407 TYR A N 1 ATOM 1339 C CA . TYR A 1 170 ? -22.292 -3.142 38.014 1.00 57.00 ? 407 TYR A CA 1 ATOM 1340 C C . TYR A 1 170 ? -22.761 -4.532 37.663 1.00 56.59 ? 407 TYR A C 1 ATOM 1341 O O . TYR A 1 170 ? -23.060 -4.843 36.505 1.00 73.65 ? 407 TYR A O 1 ATOM 1342 C CB . TYR A 1 170 ? -23.511 -2.303 38.320 1.00 46.56 ? 407 TYR A CB 1 ATOM 1343 C CG . TYR A 1 170 ? -23.277 -1.016 39.070 1.00 46.03 ? 407 TYR A CG 1 ATOM 1344 C CD1 . TYR A 1 170 ? -22.993 0.181 38.395 1.00 34.06 ? 407 TYR A CD1 1 ATOM 1345 C CD2 . TYR A 1 170 ? -23.409 -0.982 40.446 1.00 37.56 ? 407 TYR A CD2 1 ATOM 1346 C CE1 . TYR A 1 170 ? -22.841 1.367 39.077 1.00 31.43 ? 407 TYR A CE1 1 ATOM 1347 C CE2 . TYR A 1 170 ? -23.239 0.194 41.143 1.00 44.88 ? 407 TYR A CE2 1 ATOM 1348 C CZ . TYR A 1 170 ? -22.962 1.363 40.454 1.00 50.19 ? 407 TYR A CZ 1 ATOM 1349 O OH . TYR A 1 170 ? -22.819 2.522 41.177 1.00 44.29 ? 407 TYR A OH 1 ATOM 1350 N N . SER A 1 171 ? -22.863 -5.371 38.674 1.00 33.47 ? 408 SER A N 1 ATOM 1351 C CA . SER A 1 171 ? -23.457 -6.674 38.456 1.00 39.71 ? 408 SER A CA 1 ATOM 1352 C C . SER A 1 171 ? -24.609 -6.807 39.409 1.00 58.48 ? 408 SER A C 1 ATOM 1353 O O . SER A 1 171 ? -24.456 -6.538 40.603 1.00 58.09 ? 408 SER A O 1 ATOM 1354 C CB . SER A 1 171 ? -22.452 -7.783 38.731 1.00 51.35 ? 408 SER A CB 1 ATOM 1355 O OG . SER A 1 171 ? -22.725 -8.907 37.906 1.00 39.52 ? 408 SER A OG 1 ATOM 1356 N N . LYS A 1 172 ? -25.766 -7.200 38.881 1.00 39.21 ? 409 LYS A N 1 ATOM 1357 C CA . LYS A 1 172 ? -26.961 -7.369 39.685 1.00 26.79 ? 409 LYS A CA 1 ATOM 1358 C C . LYS A 1 172 ? -27.255 -8.853 39.796 1.00 50.04 ? 409 LYS A C 1 ATOM 1359 O O . LYS A 1 172 ? -27.268 -9.572 38.806 1.00 41.25 ? 409 LYS A O 1 ATOM 1360 C CB . LYS A 1 172 ? -28.111 -6.603 39.033 1.00 61.62 ? 409 LYS A CB 1 ATOM 1361 C CG . LYS A 1 172 ? -29.518 -6.777 39.654 1.00 29.90 ? 409 LYS A CG 1 ATOM 1362 C CD . LYS A 1 172 ? -30.432 -5.677 39.129 1.00 33.68 ? 409 LYS A CD 1 ATOM 1363 C CE . LYS A 1 172 ? -31.556 -6.155 38.201 1.00 66.22 ? 409 LYS A CE 1 ATOM 1364 N NZ . LYS A 1 172 ? -32.263 -7.516 38.388 1.00 47.76 ? 409 LYS A NZ 1 ATOM 1365 N N . LEU A 1 173 ? -27.442 -9.327 41.014 1.00 37.97 ? 410 LEU A N 1 ATOM 1366 C CA . LEU A 1 173 ? -27.778 -10.720 41.199 1.00 55.72 ? 410 LEU A CA 1 ATOM 1367 C C . LEU A 1 173 ? -29.161 -10.729 41.808 1.00 89.14 ? 410 LEU A C 1 ATOM 1368 O O . LEU A 1 173 ? -29.434 -9.955 42.726 1.00 72.19 ? 410 LEU A O 1 ATOM 1369 C CB . LEU A 1 173 ? -26.799 -11.413 42.131 1.00 48.92 ? 410 LEU A CB 1 ATOM 1370 C CG . LEU A 1 173 ? -27.294 -12.794 42.538 1.00 53.06 ? 410 LEU A CG 1 ATOM 1371 C CD1 . LEU A 1 173 ? -26.937 -13.766 41.458 1.00 57.42 ? 410 LEU A CD1 1 ATOM 1372 C CD2 . LEU A 1 173 ? -26.758 -13.202 43.882 1.00 34.19 ? 410 LEU A CD2 1 ATOM 1373 N N . THR A 1 174 ? -30.028 -11.602 41.300 1.00 71.38 ? 411 THR A N 1 ATOM 1374 C CA . THR A 1 174 ? -31.408 -11.637 41.734 1.00 70.79 ? 411 THR A CA 1 ATOM 1375 C C . THR A 1 174 ? -31.783 -12.926 42.462 1.00 66.58 ? 411 THR A C 1 ATOM 1376 O O . THR A 1 174 ? -31.955 -13.979 41.848 1.00 68.58 ? 411 THR A O 1 ATOM 1377 C CB . THR A 1 174 ? -32.317 -11.457 40.542 1.00 79.24 ? 411 THR A CB 1 ATOM 1378 O OG1 . THR A 1 174 ? -31.905 -10.299 39.811 1.00 83.53 ? 411 THR A OG1 1 ATOM 1379 C CG2 . THR A 1 174 ? -33.735 -11.295 40.996 1.00 81.59 ? 411 THR A CG2 1 ATOM 1380 N N . VAL A 1 175 ? -31.920 -12.826 43.776 1.00 52.89 ? 412 VAL A N 1 ATOM 1381 C CA . VAL A 1 175 ? -32.284 -13.970 44.594 1.00 52.68 ? 412 VAL A CA 1 ATOM 1382 C C . VAL A 1 175 ? -33.699 -13.864 45.135 1.00 79.72 ? 412 VAL A C 1 ATOM 1383 O O . VAL A 1 175 ? -34.293 -12.782 45.171 1.00 78.76 ? 412 VAL A O 1 ATOM 1384 C CB . VAL A 1 175 ? -31.400 -14.066 45.821 1.00 58.34 ? 412 VAL A CB 1 ATOM 1385 C CG1 . VAL A 1 175 ? -29.960 -14.386 45.404 1.00 68.61 ? 412 VAL A CG1 1 ATOM 1386 C CG2 . VAL A 1 175 ? -31.473 -12.787 46.602 1.00 56.28 ? 412 VAL A CG2 1 ATOM 1387 N N . ASP A 1 176 ? -34.234 -14.997 45.577 1.00 97.45 ? 413 ASP A N 1 ATOM 1388 C CA . ASP A 1 176 ? -35.475 -15.002 46.340 1.00 89.97 ? 413 ASP A CA 1 ATOM 1389 C C . ASP A 1 176 ? -35.273 -14.217 47.623 1.00 94.16 ? 413 ASP A C 1 ATOM 1390 O O . ASP A 1 176 ? -34.190 -14.220 48.205 1.00 114.54 ? 413 ASP A O 1 ATOM 1391 C CB . ASP A 1 176 ? -35.906 -16.430 46.675 1.00 108.34 ? 413 ASP A CB 1 ATOM 1392 C CG . ASP A 1 176 ? -36.464 -17.164 45.475 1.00 99.19 ? 413 ASP A CG 1 ATOM 1393 O OD1 . ASP A 1 176 ? -36.804 -16.490 44.474 1.00 67.80 ? 413 ASP A OD1 1 ATOM 1394 O OD2 . ASP A 1 176 ? -36.565 -18.410 45.538 1.00 93.21 ? 413 ASP A OD2 1 ATOM 1395 N N . LYS A 1 177 ? -36.332 -13.557 48.064 1.00 82.79 ? 414 LYS A N 1 ATOM 1396 C CA . LYS A 1 177 ? -36.263 -12.634 49.188 1.00 77.79 ? 414 LYS A CA 1 ATOM 1397 C C . LYS A 1 177 ? -35.906 -13.337 50.490 1.00 71.87 ? 414 LYS A C 1 ATOM 1398 O O . LYS A 1 177 ? -35.339 -12.735 51.401 1.00 76.23 ? 414 LYS A O 1 ATOM 1399 C CB . LYS A 1 177 ? -37.594 -11.880 49.326 1.00 76.26 ? 414 LYS A CB 1 ATOM 1400 C CG . LYS A 1 177 ? -37.584 -10.727 50.323 1.00 89.28 ? 414 LYS A CG 1 ATOM 1401 C CD . LYS A 1 177 ? -38.275 -11.110 51.615 1.00 99.43 ? 414 LYS A CD 1 ATOM 1402 C CE . LYS A 1 177 ? -38.445 -9.914 52.527 1.00 104.95 ? 414 LYS A CE 1 ATOM 1403 N NZ . LYS A 1 177 ? -39.871 -9.462 52.553 1.00 103.38 ? 414 LYS A NZ 1 ATOM 1404 N N . SER A 1 178 ? -36.227 -14.619 50.572 1.00 66.43 ? 415 SER A N 1 ATOM 1405 C CA . SER A 1 178 ? -35.967 -15.371 51.794 1.00 92.10 ? 415 SER A CA 1 ATOM 1406 C C . SER A 1 178 ? -34.488 -15.693 51.983 1.00 108.60 ? 415 SER A C 1 ATOM 1407 O O . SER A 1 178 ? -33.958 -15.606 53.094 1.00 107.51 ? 415 SER A O 1 ATOM 1408 C CB . SER A 1 178 ? -36.790 -16.657 51.801 1.00 87.09 ? 415 SER A CB 1 ATOM 1409 O OG . SER A 1 178 ? -36.878 -17.190 50.489 1.00 107.78 ? 415 SER A OG 1 ATOM 1410 N N . ARG A 1 179 ? -33.831 -16.059 50.887 1.00 95.70 ? 416 ARG A N 1 ATOM 1411 C CA . ARG A 1 179 ? -32.442 -16.503 50.933 1.00 99.06 ? 416 ARG A CA 1 ATOM 1412 C C . ARG A 1 179 ? -31.552 -15.423 51.481 1.00 106.29 ? 416 ARG A C 1 ATOM 1413 O O . ARG A 1 179 ? -30.547 -15.694 52.134 1.00 95.95 ? 416 ARG A O 1 ATOM 1414 C CB . ARG A 1 179 ? -31.966 -16.918 49.551 1.00 67.96 ? 416 ARG A CB 1 ATOM 1415 C CG . ARG A 1 179 ? -32.346 -18.341 49.248 1.00 84.54 ? 416 ARG A CG 1 ATOM 1416 C CD . ARG A 1 179 ? -32.386 -18.596 47.765 1.00 92.36 ? 416 ARG A CD 1 ATOM 1417 N NE . ARG A 1 179 ? -31.071 -18.932 47.273 1.00 103.21 ? 416 ARG A NE 1 ATOM 1418 C CZ . ARG A 1 179 ? -30.704 -18.782 46.010 1.00 122.00 ? 416 ARG A CZ 1 ATOM 1419 N NH1 . ARG A 1 179 ? -31.569 -18.279 45.124 1.00 98.81 ? 416 ARG A NH1 1 ATOM 1420 N NH2 . ARG A 1 179 ? -29.469 -19.129 45.647 1.00 110.85 ? 416 ARG A NH2 1 ATOM 1421 N N . TRP A 1 180 ? -31.941 -14.188 51.216 1.00 88.53 ? 417 TRP A N 1 ATOM 1422 C CA . TRP A 1 180 ? -31.258 -13.058 51.785 1.00 73.16 ? 417 TRP A CA 1 ATOM 1423 C C . TRP A 1 180 ? -31.664 -12.876 53.253 1.00 84.91 ? 417 TRP A C 1 ATOM 1424 O O . TRP A 1 180 ? -30.804 -12.831 54.141 1.00 98.58 ? 417 TRP A O 1 ATOM 1425 C CB . TRP A 1 180 ? -31.559 -11.806 50.970 1.00 66.75 ? 417 TRP A CB 1 ATOM 1426 C CG . TRP A 1 180 ? -31.035 -10.570 51.625 1.00 80.45 ? 417 TRP A CG 1 ATOM 1427 C CD1 . TRP A 1 180 ? -31.738 -9.669 52.376 1.00 98.56 ? 417 TRP A CD1 1 ATOM 1428 C CD2 . TRP A 1 180 ? -29.691 -10.119 51.620 1.00 80.88 ? 417 TRP A CD2 1 ATOM 1429 N NE1 . TRP A 1 180 ? -30.908 -8.673 52.822 1.00 106.59 ? 417 TRP A NE1 1 ATOM 1430 C CE2 . TRP A 1 180 ? -29.636 -8.928 52.369 1.00 110.39 ? 417 TRP A CE2 1 ATOM 1431 C CE3 . TRP A 1 180 ? -28.514 -10.599 51.039 1.00 59.68 ? 417 TRP A CE3 1 ATOM 1432 C CZ2 . TRP A 1 180 ? -28.465 -8.210 52.555 1.00 137.41 ? 417 TRP A CZ2 1 ATOM 1433 C CZ3 . TRP A 1 180 ? -27.346 -9.885 51.225 1.00 104.16 ? 417 TRP A CZ3 1 ATOM 1434 C CH2 . TRP A 1 180 ? -27.329 -8.705 51.974 1.00 135.63 ? 417 TRP A CH2 1 ATOM 1435 N N . GLN A 1 181 ? -32.974 -12.802 53.498 1.00 93.75 ? 418 GLN A N 1 ATOM 1436 C CA . GLN A 1 181 ? -33.516 -12.478 54.817 1.00 100.97 ? 418 GLN A CA 1 ATOM 1437 C C . GLN A 1 181 ? -32.934 -13.340 55.941 1.00 108.13 ? 418 GLN A C 1 ATOM 1438 O O . GLN A 1 181 ? -32.918 -12.941 57.097 1.00 103.90 ? 418 GLN A O 1 ATOM 1439 C CB . GLN A 1 181 ? -35.040 -12.601 54.802 1.00 59.68 ? 418 GLN A CB 1 ATOM 1440 C CG . GLN A 1 181 ? -35.749 -11.275 54.822 1.00 97.90 ? 418 GLN A CG 1 ATOM 1441 C CD . GLN A 1 181 ? -35.240 -10.382 55.935 1.00 126.78 ? 418 GLN A CD 1 ATOM 1442 O OE1 . GLN A 1 181 ? -35.230 -10.773 57.103 1.00 129.18 ? 418 GLN A OE1 1 ATOM 1443 N NE2 . GLN A 1 181 ? -34.796 -9.179 55.577 1.00 112.51 ? 418 GLN A NE2 1 ATOM 1444 N N . GLN A 1 182 ? -32.430 -14.503 55.566 1.00 100.24 ? 419 GLN A N 1 ATOM 1445 C CA . GLN A 1 182 ? -32.013 -15.552 56.463 1.00 128.84 ? 419 GLN A CA 1 ATOM 1446 C C . GLN A 1 182 ? -30.543 -15.356 56.857 1.00 132.61 ? 419 GLN A C 1 ATOM 1447 O O . GLN A 1 182 ? -30.198 -15.303 58.046 1.00 123.14 ? 419 GLN A O 1 ATOM 1448 C CB . GLN A 1 182 ? -32.352 -16.798 55.666 1.00 142.77 ? 419 GLN A CB 1 ATOM 1449 C CG . GLN A 1 182 ? -31.887 -18.017 56.003 1.00 153.78 ? 419 GLN A CG 1 ATOM 1450 C CD . GLN A 1 182 ? -32.577 -19.160 55.273 1.00 154.54 ? 419 GLN A CD 1 ATOM 1451 O OE1 . GLN A 1 182 ? -32.240 -19.503 54.074 1.00 166.24 ? 419 GLN A OE1 1 ATOM 1452 N NE2 . GLN A 1 182 ? -33.464 -19.840 56.008 1.00 172.95 ? 419 GLN A NE2 1 ATOM 1453 N N . GLY A 1 183 ? -29.688 -15.201 55.858 1.00 124.29 ? 420 GLY A N 1 ATOM 1454 C CA . GLY A 1 183 ? -28.316 -14.830 56.127 1.00 127.70 ? 420 GLY A CA 1 ATOM 1455 C C . GLY A 1 183 ? -27.270 -15.500 55.260 1.00 120.68 ? 420 GLY A C 1 ATOM 1456 O O . GLY A 1 183 ? -26.087 -15.477 55.602 1.00 95.59 ? 420 GLY A O 1 ATOM 1457 N N . ASN A 1 184 ? -27.697 -16.105 54.151 1.00 110.00 ? 421 ASN A N 1 ATOM 1458 C CA . ASN A 1 184 ? -26.763 -16.695 53.190 1.00 57.07 ? 421 ASN A CA 1 ATOM 1459 C C . ASN A 1 184 ? -25.724 -15.693 52.731 1.00 81.31 ? 421 ASN A C 1 ATOM 1460 O O . ASN A 1 184 ? -26.062 -14.606 52.258 1.00 88.49 ? 421 ASN A O 1 ATOM 1461 C CB . ASN A 1 184 ? -27.475 -17.200 51.936 1.00 69.34 ? 421 ASN A CB 1 ATOM 1462 C CG . ASN A 1 184 ? -28.338 -18.421 52.186 1.00 104.59 ? 421 ASN A CG 1 ATOM 1463 O OD1 . ASN A 1 184 ? -29.131 -18.470 53.131 1.00 107.43 ? 421 ASN A OD1 1 ATOM 1464 N ND2 . ASN A 1 184 ? -28.197 -19.417 51.317 1.00 85.70 ? 421 ASN A ND2 1 ATOM 1465 N N . VAL A 1 185 ? -24.452 -16.048 52.860 1.00 63.44 ? 422 VAL A N 1 ATOM 1466 C CA . VAL A 1 185 ? -23.422 -15.242 52.220 1.00 102.05 ? 422 VAL A CA 1 ATOM 1467 C C . VAL A 1 185 ? -23.433 -15.493 50.702 1.00 90.93 ? 422 VAL A C 1 ATOM 1468 O O . VAL A 1 185 ? -23.556 -16.631 50.255 1.00 81.64 ? 422 VAL A O 1 ATOM 1469 C CB . VAL A 1 185 ? -22.011 -15.475 52.834 1.00 108.70 ? 422 VAL A CB 1 ATOM 1470 C CG1 . VAL A 1 185 ? -20.977 -15.661 51.744 1.00 131.59 ? 422 VAL A CG1 1 ATOM 1471 C CG2 . VAL A 1 185 ? -21.614 -14.308 53.748 1.00 93.94 ? 422 VAL A CG2 1 ATOM 1472 N N . PHE A 1 186 ? -23.343 -14.416 49.927 1.00 78.33 ? 423 PHE A N 1 ATOM 1473 C CA . PHE A 1 186 ? -23.248 -14.494 48.484 1.00 65.96 ? 423 PHE A CA 1 ATOM 1474 C C . PHE A 1 186 ? -21.956 -13.818 48.138 1.00 79.95 ? 423 PHE A C 1 ATOM 1475 O O . PHE A 1 186 ? -21.506 -12.971 48.897 1.00 76.25 ? 423 PHE A O 1 ATOM 1476 C CB . PHE A 1 186 ? -24.387 -13.721 47.855 1.00 43.69 ? 423 PHE A CB 1 ATOM 1477 C CG . PHE A 1 186 ? -25.697 -14.396 47.971 1.00 82.11 ? 423 PHE A CG 1 ATOM 1478 C CD1 . PHE A 1 186 ? -26.500 -14.190 49.091 1.00 103.02 ? 423 PHE A CD1 1 ATOM 1479 C CD2 . PHE A 1 186 ? -26.130 -15.240 46.967 1.00 32.37 ? 423 PHE A CD2 1 ATOM 1480 C CE1 . PHE A 1 186 ? -27.742 -14.791 49.208 1.00 85.35 ? 423 PHE A CE1 1 ATOM 1481 C CE2 . PHE A 1 186 ? -27.374 -15.855 47.069 1.00 79.38 ? 423 PHE A CE2 1 ATOM 1482 C CZ . PHE A 1 186 ? -28.190 -15.627 48.196 1.00 62.13 ? 423 PHE A CZ 1 ATOM 1483 N N . SER A 1 187 ? -21.353 -14.177 47.006 1.00 59.89 ? 424 SER A N 1 ATOM 1484 C CA . SER A 1 187 ? -20.061 -13.587 46.652 1.00 48.68 ? 424 SER A CA 1 ATOM 1485 C C . SER A 1 187 ? -19.914 -13.196 45.200 1.00 56.23 ? 424 SER A C 1 ATOM 1486 O O . SER A 1 187 ? -20.365 -13.906 44.315 1.00 55.83 ? 424 SER A O 1 ATOM 1487 C CB . SER A 1 187 ? -18.915 -14.488 47.085 1.00 53.39 ? 424 SER A CB 1 ATOM 1488 O OG . SER A 1 187 ? -18.525 -14.174 48.412 1.00 77.63 ? 424 SER A OG 1 ATOM 1489 N N . CYS A 1 188 ? -19.284 -12.045 44.985 1.00 35.30 ? 425 CYS A N 1 ATOM 1490 C CA . CYS A 1 188 ? -19.074 -11.471 43.662 1.00 60.41 ? 425 CYS A CA 1 ATOM 1491 C C . CYS A 1 188 ? -17.644 -11.793 43.328 1.00 67.50 ? 425 CYS A C 1 ATOM 1492 O O . CYS A 1 188 ? -16.763 -11.566 44.151 1.00 89.92 ? 425 CYS A O 1 ATOM 1493 C CB . CYS A 1 188 ? -19.258 -9.952 43.735 1.00 55.38 ? 425 CYS A CB 1 ATOM 1494 S SG . CYS A 1 188 ? -19.151 -9.057 42.158 1.00 82.44 ? 425 CYS A SG 1 ATOM 1495 N N . SER A 1 189 ? -17.392 -12.359 42.154 1.00 42.44 ? 426 SER A N 1 ATOM 1496 C CA . SER A 1 189 ? -16.032 -12.774 41.840 1.00 40.52 ? 426 SER A CA 1 ATOM 1497 C C . SER A 1 189 ? -15.646 -11.960 40.653 1.00 64.46 ? 426 SER A C 1 ATOM 1498 O O . SER A 1 189 ? -16.384 -11.916 39.662 1.00 58.20 ? 426 SER A O 1 ATOM 1499 C CB . SER A 1 189 ? -15.946 -14.243 41.459 1.00 36.80 ? 426 SER A CB 1 ATOM 1500 O OG . SER A 1 189 ? -16.583 -15.083 42.404 1.00 65.92 ? 426 SER A OG 1 ATOM 1501 N N . VAL A 1 190 ? -14.509 -11.287 40.752 1.00 62.89 ? 427 VAL A N 1 ATOM 1502 C CA . VAL A 1 190 ? -14.072 -10.448 39.672 1.00 49.61 ? 427 VAL A CA 1 ATOM 1503 C C . VAL A 1 190 ? -12.780 -11.061 39.248 1.00 52.41 ? 427 VAL A C 1 ATOM 1504 O O . VAL A 1 190 ? -12.066 -11.632 40.074 1.00 73.69 ? 427 VAL A O 1 ATOM 1505 C CB . VAL A 1 190 ? -13.856 -9.035 40.142 1.00 48.37 ? 427 VAL A CB 1 ATOM 1506 C CG1 . VAL A 1 190 ? -13.494 -8.157 38.985 1.00 34.89 ? 427 VAL A CG1 1 ATOM 1507 C CG2 . VAL A 1 190 ? -15.117 -8.540 40.803 1.00 38.65 ? 427 VAL A CG2 1 ATOM 1508 N N . MET A 1 191 ? -12.483 -10.967 37.961 1.00 56.95 ? 428 MET A N 1 ATOM 1509 C CA . MET A 1 191 ? -11.231 -11.475 37.436 1.00 53.18 ? 428 MET A CA 1 ATOM 1510 C C . MET A 1 191 ? -10.636 -10.474 36.457 1.00 40.36 ? 428 MET A C 1 ATOM 1511 O O . MET A 1 191 ? -11.232 -10.208 35.414 1.00 89.03 ? 428 MET A O 1 ATOM 1512 C CB . MET A 1 191 ? -11.532 -12.775 36.732 1.00 66.96 ? 428 MET A CB 1 ATOM 1513 C CG . MET A 1 191 ? -10.389 -13.319 35.915 1.00 89.43 ? 428 MET A CG 1 ATOM 1514 S SD . MET A 1 191 ? -10.691 -15.071 35.569 1.00 106.78 ? 428 MET A SD 1 ATOM 1515 C CE . MET A 1 191 ? -11.465 -15.510 37.144 1.00 44.42 ? 428 MET A CE 1 ATOM 1516 N N . HIS A 1 192 ? -9.486 -9.904 36.798 1.00 67.96 ? 429 HIS A N 1 ATOM 1517 C CA . HIS A 1 192 ? -8.906 -8.800 36.022 1.00 74.32 ? 429 HIS A CA 1 ATOM 1518 C C . HIS A 1 192 ? -7.395 -8.767 36.194 1.00 77.28 ? 429 HIS A C 1 ATOM 1519 O O . HIS A 1 192 ? -6.891 -9.173 37.241 1.00 76.26 ? 429 HIS A O 1 ATOM 1520 C CB . HIS A 1 192 ? -9.524 -7.464 36.469 1.00 70.01 ? 429 HIS A CB 1 ATOM 1521 C CG . HIS A 1 192 ? -9.006 -6.265 35.716 1.00 54.92 ? 429 HIS A CG 1 ATOM 1522 N ND1 . HIS A 1 192 ? -8.023 -5.474 36.194 1.00 69.17 ? 429 HIS A ND1 1 ATOM 1523 C CD2 . HIS A 1 192 ? -9.371 -5.781 34.499 1.00 43.38 ? 429 HIS A CD2 1 ATOM 1524 C CE1 . HIS A 1 192 ? -7.762 -4.504 35.296 1.00 64.69 ? 429 HIS A CE1 1 ATOM 1525 N NE2 . HIS A 1 192 ? -8.557 -4.690 34.280 1.00 61.92 ? 429 HIS A NE2 1 ATOM 1526 N N . GLU A 1 193 ? -6.670 -8.260 35.197 1.00 51.22 ? 430 GLU A N 1 ATOM 1527 C CA . GLU A 1 193 ? -5.209 -8.455 35.185 1.00 54.96 ? 430 GLU A CA 1 ATOM 1528 C C . GLU A 1 193 ? -4.517 -7.810 36.360 1.00 30.82 ? 430 GLU A C 1 ATOM 1529 O O . GLU A 1 193 ? -3.781 -8.459 37.066 1.00 62.43 ? 430 GLU A O 1 ATOM 1530 C CB . GLU A 1 193 ? -4.565 -8.057 33.861 1.00 23.14 ? 430 GLU A CB 1 ATOM 1531 C CG . GLU A 1 193 ? -4.229 -6.655 33.735 1.00 46.65 ? 430 GLU A CG 1 ATOM 1532 C CD . GLU A 1 193 ? -4.056 -6.278 32.308 1.00 69.68 ? 430 GLU A CD 1 ATOM 1533 O OE1 . GLU A 1 193 ? -4.948 -6.599 31.504 1.00 94.39 ? 430 GLU A OE1 1 ATOM 1534 O OE2 . GLU A 1 193 ? -3.029 -5.667 31.963 1.00 68.89 ? 430 GLU A OE2 1 ATOM 1535 N N . ALA A 1 194 ? -4.845 -6.568 36.635 1.00 33.46 ? 431 ALA A N 1 ATOM 1536 C CA . ALA A 1 194 ? -4.243 -5.824 37.718 1.00 25.83 ? 431 ALA A CA 1 ATOM 1537 C C . ALA A 1 194 ? -4.617 -6.306 39.113 1.00 39.33 ? 431 ALA A C 1 ATOM 1538 O O . ALA A 1 194 ? -4.358 -5.626 40.094 1.00 51.27 ? 431 ALA A O 1 ATOM 1539 C CB . ALA A 1 194 ? -4.574 -4.368 37.572 1.00 46.90 ? 431 ALA A CB 1 ATOM 1540 N N . LEU A 1 195 ? -5.241 -7.468 39.206 1.00 42.04 ? 432 LEU A N 1 ATOM 1541 C CA . LEU A 1 195 ? -5.655 -8.008 40.490 1.00 46.22 ? 432 LEU A CA 1 ATOM 1542 C C . LEU A 1 195 ? -4.658 -9.040 40.854 1.00 62.08 ? 432 LEU A C 1 ATOM 1543 O O . LEU A 1 195 ? -4.207 -9.785 39.983 1.00 48.80 ? 432 LEU A O 1 ATOM 1544 C CB . LEU A 1 195 ? -7.020 -8.693 40.380 1.00 53.89 ? 432 LEU A CB 1 ATOM 1545 C CG . LEU A 1 195 ? -8.276 -7.847 40.497 1.00 61.18 ? 432 LEU A CG 1 ATOM 1546 C CD1 . LEU A 1 195 ? -9.461 -8.617 39.942 1.00 64.18 ? 432 LEU A CD1 1 ATOM 1547 C CD2 . LEU A 1 195 ? -8.491 -7.481 41.948 1.00 53.63 ? 432 LEU A CD2 1 ATOM 1548 N N . HIS A 1 196 ? -4.325 -9.101 42.136 1.00 55.61 ? 433 HIS A N 1 ATOM 1549 C CA . HIS A 1 196 ? -3.328 -10.059 42.565 1.00 65.12 ? 433 HIS A CA 1 ATOM 1550 C C . HIS A 1 196 ? -3.917 -11.406 42.267 1.00 56.61 ? 433 HIS A C 1 ATOM 1551 O O . HIS A 1 196 ? -5.105 -11.614 42.500 1.00 71.43 ? 433 HIS A O 1 ATOM 1552 C CB . HIS A 1 196 ? -2.997 -9.945 44.042 1.00 88.25 ? 433 HIS A CB 1 ATOM 1553 C CG . HIS A 1 196 ? -1.965 -10.916 44.488 1.00 115.68 ? 433 HIS A CG 1 ATOM 1554 N ND1 . HIS A 1 196 ? -0.794 -11.145 43.764 1.00 140.34 ? 433 HIS A ND1 1 ATOM 1555 C CD2 . HIS A 1 196 ? -1.903 -11.749 45.543 1.00 102.73 ? 433 HIS A CD2 1 ATOM 1556 C CE1 . HIS A 1 196 ? -0.077 -12.052 44.377 1.00 124.58 ? 433 HIS A CE1 1 ATOM 1557 N NE2 . HIS A 1 196 ? -0.726 -12.450 45.467 1.00 99.98 ? 433 HIS A NE2 1 ATOM 1558 N N . ASN A 1 197 ? -3.112 -12.299 41.707 1.00 69.96 ? 434 ASN A N 1 ATOM 1559 C CA . ASN A 1 197 ? -3.623 -13.579 41.210 1.00 69.94 ? 434 ASN A CA 1 ATOM 1560 C C . ASN A 1 197 ? -4.763 -13.480 40.193 1.00 42.47 ? 434 ASN A C 1 ATOM 1561 O O . ASN A 1 197 ? -5.469 -14.462 39.972 1.00 66.83 ? 434 ASN A O 1 ATOM 1562 C CB . ASN A 1 197 ? -4.062 -14.479 42.361 1.00 51.08 ? 434 ASN A CB 1 ATOM 1563 C CG . ASN A 1 197 ? -2.919 -15.200 42.989 1.00 72.87 ? 434 ASN A CG 1 ATOM 1564 O OD1 . ASN A 1 197 ? -1.930 -15.559 42.323 1.00 55.77 ? 434 ASN A OD1 1 ATOM 1565 N ND2 . ASN A 1 197 ? -3.035 -15.430 44.283 1.00 86.62 ? 434 ASN A ND2 1 ATOM 1566 N N . HIS A 1 198 ? -4.937 -12.308 39.587 1.00 34.10 ? 435 HIS A N 1 ATOM 1567 C CA . HIS A 1 198 ? -5.903 -12.116 38.511 1.00 62.10 ? 435 HIS A CA 1 ATOM 1568 C C . HIS A 1 198 ? -7.349 -12.324 38.952 1.00 54.39 ? 435 HIS A C 1 ATOM 1569 O O . HIS A 1 198 ? -8.238 -12.510 38.125 1.00 60.00 ? 435 HIS A O 1 ATOM 1570 C CB . HIS A 1 198 ? -5.600 -13.058 37.342 1.00 28.86 ? 435 HIS A CB 1 ATOM 1571 C CG . HIS A 1 198 ? -4.485 -12.585 36.498 1.00 48.31 ? 435 HIS A CG 1 ATOM 1572 N ND1 . HIS A 1 198 ? -4.101 -13.250 35.329 1.00 71.51 ? 435 HIS A ND1 1 ATOM 1573 C CD2 . HIS A 1 198 ? -3.647 -11.540 36.604 1.00 51.59 ? 435 HIS A CD2 1 ATOM 1574 C CE1 . HIS A 1 198 ? -3.091 -12.621 34.790 1.00 61.62 ? 435 HIS A CE1 1 ATOM 1575 N NE2 . HIS A 1 198 ? -2.776 -11.573 35.542 1.00 53.91 ? 435 HIS A NE2 1 ATOM 1576 N N . TYR A 1 199 ? -7.586 -12.277 40.253 1.00 46.76 ? 436 TYR A N 1 ATOM 1577 C CA . TYR A 1 199 ? -8.846 -12.746 40.767 1.00 41.52 ? 436 TYR A CA 1 ATOM 1578 C C . TYR A 1 199 ? -9.036 -12.295 42.190 1.00 52.93 ? 436 TYR A C 1 ATOM 1579 O O . TYR A 1 199 ? -8.294 -12.743 43.063 1.00 54.90 ? 436 TYR A O 1 ATOM 1580 C CB . TYR A 1 199 ? -8.853 -14.280 40.738 1.00 39.76 ? 436 TYR A CB 1 ATOM 1581 C CG . TYR A 1 199 ? -10.086 -14.876 41.390 1.00 42.96 ? 436 TYR A CG 1 ATOM 1582 C CD1 . TYR A 1 199 ? -11.206 -15.171 40.646 1.00 52.37 ? 436 TYR A CD1 1 ATOM 1583 C CD2 . TYR A 1 199 ? -10.128 -15.117 42.755 1.00 39.87 ? 436 TYR A CD2 1 ATOM 1584 C CE1 . TYR A 1 199 ? -12.343 -15.684 41.239 1.00 60.20 ? 436 TYR A CE1 1 ATOM 1585 C CE2 . TYR A 1 199 ? -11.242 -15.614 43.357 1.00 62.98 ? 436 TYR A CE2 1 ATOM 1586 C CZ . TYR A 1 199 ? -12.363 -15.903 42.601 1.00 68.66 ? 436 TYR A CZ 1 ATOM 1587 O OH . TYR A 1 199 ? -13.499 -16.419 43.208 1.00 81.83 ? 436 TYR A OH 1 ATOM 1588 N N . THR A 1 200 ? -10.029 -11.443 42.438 1.00 41.78 ? 437 THR A N 1 ATOM 1589 C CA . THR A 1 200 ? -10.465 -11.205 43.810 1.00 61.09 ? 437 THR A CA 1 ATOM 1590 C C . THR A 1 200 ? -11.929 -11.599 43.958 1.00 64.67 ? 437 THR A C 1 ATOM 1591 O O . THR A 1 200 ? -12.569 -12.081 43.012 1.00 49.86 ? 437 THR A O 1 ATOM 1592 C CB . THR A 1 200 ? -10.285 -9.743 44.277 1.00 55.33 ? 437 THR A CB 1 ATOM 1593 O OG1 . THR A 1 200 ? -10.527 -9.666 45.684 1.00 48.93 ? 437 THR A OG1 1 ATOM 1594 C CG2 . THR A 1 200 ? -11.295 -8.825 43.589 1.00 53.11 ? 437 THR A CG2 1 ATOM 1595 N N . GLN A 1 201 ? -12.467 -11.365 45.150 1.00 56.03 ? 438 GLN A N 1 ATOM 1596 C CA . GLN A 1 201 ? -13.813 -11.798 45.458 1.00 60.28 ? 438 GLN A CA 1 ATOM 1597 C C . GLN A 1 201 ? -14.301 -11.156 46.747 1.00 56.35 ? 438 GLN A C 1 ATOM 1598 O O . GLN A 1 201 ? -13.602 -11.192 47.761 1.00 56.39 ? 438 GLN A O 1 ATOM 1599 C CB . GLN A 1 201 ? -13.839 -13.326 45.545 1.00 69.31 ? 438 GLN A CB 1 ATOM 1600 C CG . GLN A 1 201 ? -14.489 -13.905 46.771 1.00 68.89 ? 438 GLN A CG 1 ATOM 1601 C CD . GLN A 1 201 ? -14.480 -15.403 46.737 1.00 81.97 ? 438 GLN A CD 1 ATOM 1602 O OE1 . GLN A 1 201 ? -14.352 -16.014 45.673 1.00 97.29 ? 438 GLN A OE1 1 ATOM 1603 N NE2 . GLN A 1 201 ? -14.611 -16.011 47.897 1.00 70.89 ? 438 GLN A NE2 1 ATOM 1604 N N . LYS A 1 202 ? -15.485 -10.542 46.685 1.00 68.96 ? 439 LYS A N 1 ATOM 1605 C CA . LYS A 1 202 ? -16.116 -9.934 47.855 1.00 74.16 ? 439 LYS A CA 1 ATOM 1606 C C . LYS A 1 202 ? -17.444 -10.601 48.204 1.00 92.08 ? 439 LYS A C 1 ATOM 1607 O O . LYS A 1 202 ? -18.181 -11.074 47.331 1.00 71.79 ? 439 LYS A O 1 ATOM 1608 C CB . LYS A 1 202 ? -16.303 -8.421 47.675 1.00 51.43 ? 439 LYS A CB 1 ATOM 1609 C CG . LYS A 1 202 ? -14.974 -7.646 47.740 1.00 92.02 ? 439 LYS A CG 1 ATOM 1610 C CD . LYS A 1 202 ? -14.161 -8.013 48.969 1.00 106.49 ? 439 LYS A CD 1 ATOM 1611 C CE . LYS A 1 202 ? -12.750 -7.426 48.938 1.00 105.18 ? 439 LYS A CE 1 ATOM 1612 N NZ . LYS A 1 202 ? -11.820 -8.150 48.024 1.00 103.50 ? 439 LYS A NZ 1 ATOM 1613 N N . SER A 1 203 ? -17.731 -10.633 49.501 1.00 87.50 ? 440 SER A N 1 ATOM 1614 C CA . SER A 1 203 ? -18.933 -11.270 50.022 1.00 65.09 ? 440 SER A CA 1 ATOM 1615 C C . SER A 1 203 ? -20.035 -10.266 50.439 1.00 84.79 ? 440 SER A C 1 ATOM 1616 O O . SER A 1 203 ? -19.842 -9.046 50.401 1.00 93.27 ? 440 SER A O 1 ATOM 1617 C CB . SER A 1 203 ? -18.574 -12.180 51.197 1.00 59.84 ? 440 SER A CB 1 ATOM 1618 O OG . SER A 1 203 ? -18.320 -11.415 52.362 1.00 95.34 ? 440 SER A OG 1 ATOM 1619 N N . LEU A 1 204 ? -21.180 -10.796 50.859 1.00 83.95 ? 441 LEU A N 1 ATOM 1620 C CA . LEU A 1 204 ? -22.382 -10.002 51.008 1.00 77.05 ? 441 LEU A CA 1 ATOM 1621 C C . LEU A 1 204 ? -23.487 -10.831 51.652 1.00 83.30 ? 441 LEU A C 1 ATOM 1622 O O . LEU A 1 204 ? -23.907 -11.844 51.105 1.00 79.72 ? 441 LEU A O 1 ATOM 1623 C CB . LEU A 1 204 ? -22.802 -9.545 49.618 1.00 75.15 ? 441 LEU A CB 1 ATOM 1624 C CG . LEU A 1 204 ? -24.148 -8.916 49.271 1.00 72.66 ? 441 LEU A CG 1 ATOM 1625 C CD1 . LEU A 1 204 ? -24.311 -7.563 49.914 1.00 76.74 ? 441 LEU A CD1 1 ATOM 1626 C CD2 . LEU A 1 204 ? -24.217 -8.795 47.761 1.00 96.86 ? 441 LEU A CD2 1 ATOM 1627 N N . SER A 1 205 ? -23.954 -10.404 52.820 1.00 80.70 ? 442 SER A N 1 ATOM 1628 C CA . SER A 1 205 ? -25.028 -11.110 53.517 1.00 87.23 ? 442 SER A CA 1 ATOM 1629 C C . SER A 1 205 ? -25.798 -10.207 54.466 1.00 86.83 ? 442 SER A C 1 ATOM 1630 O O . SER A 1 205 ? -25.300 -9.157 54.884 1.00 86.22 ? 442 SER A O 1 ATOM 1631 C CB . SER A 1 205 ? -24.487 -12.329 54.279 1.00 95.85 ? 442 SER A CB 1 ATOM 1632 O OG . SER A 1 205 ? -23.640 -11.949 55.354 1.00 93.44 ? 442 SER A OG 1 ATOM 1633 N N . LEU A 1 206 ? -27.013 -10.633 54.798 1.00 104.47 ? 443 LEU A N 1 ATOM 1634 C CA . LEU A 1 206 ? -27.876 -9.915 55.731 1.00 111.06 ? 443 LEU A CA 1 ATOM 1635 C C . LEU A 1 206 ? -27.167 -9.619 57.042 1.00 116.26 ? 443 LEU A C 1 ATOM 1636 O O . LEU A 1 206 ? -26.434 -10.460 57.550 1.00 132.63 ? 443 LEU A O 1 ATOM 1637 C CB . LEU A 1 206 ? -29.125 -10.750 56.001 1.00 117.98 ? 443 LEU A CB 1 ATOM 1638 C CG . LEU A 1 206 ? -30.181 -10.474 57.091 1.00 118.12 ? 443 LEU A CG 1 ATOM 1639 C CD1 . LEU A 1 206 ? -29.817 -10.953 58.508 1.00 139.82 ? 443 LEU A CD1 1 ATOM 1640 C CD2 . LEU A 1 206 ? -30.876 -9.103 57.054 1.00 76.56 ? 443 LEU A CD2 1 ATOM 1641 N N . SER A 1 207 ? -27.396 -8.426 57.584 1.00 115.96 ? 444 SER A N 1 ATOM 1642 C CA . SER A 1 207 ? -26.791 -8.020 58.844 1.00 137.54 ? 444 SER A CA 1 ATOM 1643 C C . SER A 1 207 ? -27.640 -8.383 60.062 1.00 127.88 ? 444 SER A C 1 ATOM 1644 O O . SER A 1 207 ? -27.375 -7.924 61.174 1.00 108.92 ? 444 SER A O 1 ATOM 1645 C CB . SER A 1 207 ? -26.522 -6.517 58.837 1.00 157.61 ? 444 SER A CB 1 ATOM 1646 O OG . SER A 1 207 ? -26.441 -6.010 60.166 1.00 161.94 ? 444 SER A OG 1 ATOM 1647 N N . PRO B 1 1 ? -23.301 5.130 -1.144 1.00 134.52 ? 238 PRO B N 1 ATOM 1648 C CA . PRO B 1 1 ? -24.029 6.184 -0.435 1.00 117.31 ? 238 PRO B CA 1 ATOM 1649 C C . PRO B 1 1 ? -25.023 5.621 0.569 1.00 124.18 ? 238 PRO B C 1 ATOM 1650 O O . PRO B 1 1 ? -26.106 5.219 0.157 1.00 133.28 ? 238 PRO B O 1 ATOM 1651 C CB . PRO B 1 1 ? -24.768 6.909 -1.564 1.00 122.85 ? 238 PRO B CB 1 ATOM 1652 C CG . PRO B 1 1 ? -23.892 6.713 -2.753 1.00 126.74 ? 238 PRO B CG 1 ATOM 1653 C CD . PRO B 1 1 ? -23.343 5.321 -2.605 1.00 134.53 ? 238 PRO B CD 1 ATOM 1654 N N . SER B 1 2 ? -24.659 5.597 1.852 1.00 121.23 ? 239 SER B N 1 ATOM 1655 C CA . SER B 1 2 ? -25.481 4.995 2.908 1.00 129.10 ? 239 SER B CA 1 ATOM 1656 C C . SER B 1 2 ? -26.242 6.039 3.727 1.00 108.62 ? 239 SER B C 1 ATOM 1657 O O . SER B 1 2 ? -25.870 7.189 3.770 1.00 90.18 ? 239 SER B O 1 ATOM 1658 C CB . SER B 1 2 ? -24.599 4.151 3.839 1.00 149.14 ? 239 SER B CB 1 ATOM 1659 O OG . SER B 1 2 ? -23.247 4.153 3.401 1.00 147.74 ? 239 SER B OG 1 ATOM 1660 N N . VAL B 1 3 ? -27.291 5.609 4.412 1.00 84.08 ? 240 VAL B N 1 ATOM 1661 C CA . VAL B 1 3 ? -28.245 6.512 5.060 1.00 119.76 ? 240 VAL B CA 1 ATOM 1662 C C . VAL B 1 3 ? -28.645 6.035 6.469 1.00 102.55 ? 240 VAL B C 1 ATOM 1663 O O . VAL B 1 3 ? -28.841 4.839 6.686 1.00 116.46 ? 240 VAL B O 1 ATOM 1664 C CB . VAL B 1 3 ? -29.522 6.670 4.169 1.00 118.48 ? 240 VAL B CB 1 ATOM 1665 C CG1 . VAL B 1 3 ? -30.717 6.037 4.819 1.00 132.83 ? 240 VAL B CG1 1 ATOM 1666 C CG2 . VAL B 1 3 ? -29.832 8.098 3.897 1.00 123.81 ? 240 VAL B CG2 1 ATOM 1667 N N . PHE B 1 4 ? -28.798 6.958 7.414 1.00 86.32 ? 241 PHE B N 1 ATOM 1668 C CA . PHE B 1 4 ? -29.163 6.572 8.777 1.00 100.42 ? 241 PHE B CA 1 ATOM 1669 C C . PHE B 1 4 ? -30.367 7.330 9.343 1.00 120.80 ? 241 PHE B C 1 ATOM 1670 O O . PHE B 1 4 ? -30.697 8.431 8.887 1.00 132.72 ? 241 PHE B O 1 ATOM 1671 C CB . PHE B 1 4 ? -27.971 6.726 9.714 1.00 94.79 ? 241 PHE B CB 1 ATOM 1672 C CG . PHE B 1 4 ? -26.808 5.855 9.363 1.00 110.23 ? 241 PHE B CG 1 ATOM 1673 C CD1 . PHE B 1 4 ? -26.970 4.492 9.187 1.00 134.48 ? 241 PHE B CD1 1 ATOM 1674 C CD2 . PHE B 1 4 ? -25.548 6.399 9.210 1.00 110.15 ? 241 PHE B CD2 1 ATOM 1675 C CE1 . PHE B 1 4 ? -25.896 3.685 8.871 1.00 133.21 ? 241 PHE B CE1 1 ATOM 1676 C CE2 . PHE B 1 4 ? -24.471 5.604 8.891 1.00 125.46 ? 241 PHE B CE2 1 ATOM 1677 C CZ . PHE B 1 4 ? -24.642 4.244 8.719 1.00 132.26 ? 241 PHE B CZ 1 ATOM 1678 N N . LEU B 1 5 ? -31.010 6.738 10.348 1.00 105.90 ? 242 LEU B N 1 ATOM 1679 C CA . LEU B 1 5 ? -32.234 7.300 10.923 1.00 77.12 ? 242 LEU B CA 1 ATOM 1680 C C . LEU B 1 5 ? -32.268 7.202 12.457 1.00 70.90 ? 242 LEU B C 1 ATOM 1681 O O . LEU B 1 5 ? -32.220 6.105 13.017 1.00 111.02 ? 242 LEU B O 1 ATOM 1682 C CB . LEU B 1 5 ? -33.458 6.602 10.330 1.00 61.74 ? 242 LEU B CB 1 ATOM 1683 C CG . LEU B 1 5 ? -34.800 7.279 10.605 1.00 93.08 ? 242 LEU B CG 1 ATOM 1684 C CD1 . LEU B 1 5 ? -34.831 8.651 9.970 1.00 105.55 ? 242 LEU B CD1 1 ATOM 1685 C CD2 . LEU B 1 5 ? -35.917 6.445 10.050 1.00 113.90 ? 242 LEU B CD2 1 ATOM 1686 N N . PHE B 1 6 ? -32.378 8.343 13.127 1.00 67.76 ? 243 PHE B N 1 ATOM 1687 C CA . PHE B 1 6 ? -32.216 8.391 14.572 1.00 69.78 ? 243 PHE B CA 1 ATOM 1688 C C . PHE B 1 6 ? -33.492 8.837 15.269 1.00 76.31 ? 243 PHE B C 1 ATOM 1689 O O . PHE B 1 6 ? -34.149 9.776 14.835 1.00 100.13 ? 243 PHE B O 1 ATOM 1690 C CB . PHE B 1 6 ? -31.075 9.339 14.952 1.00 98.75 ? 243 PHE B CB 1 ATOM 1691 C CG . PHE B 1 6 ? -29.798 9.075 14.208 1.00 98.62 ? 243 PHE B CG 1 ATOM 1692 C CD1 . PHE B 1 6 ? -28.832 8.256 14.750 1.00 86.70 ? 243 PHE B CD1 1 ATOM 1693 C CD2 . PHE B 1 6 ? -29.565 9.650 12.966 1.00 105.96 ? 243 PHE B CD2 1 ATOM 1694 C CE1 . PHE B 1 6 ? -27.676 8.005 14.067 1.00 113.86 ? 243 PHE B CE1 1 ATOM 1695 C CE2 . PHE B 1 6 ? -28.400 9.397 12.286 1.00 118.99 ? 243 PHE B CE2 1 ATOM 1696 C CZ . PHE B 1 6 ? -27.450 8.583 12.840 1.00 118.92 ? 243 PHE B CZ 1 ATOM 1697 N N . PRO B 1 7 ? -33.834 8.166 16.371 1.00 64.62 ? 244 PRO B N 1 ATOM 1698 C CA . PRO B 1 7 ? -34.973 8.498 17.226 1.00 71.75 ? 244 PRO B CA 1 ATOM 1699 C C . PRO B 1 7 ? -34.767 9.820 17.947 1.00 71.93 ? 244 PRO B C 1 ATOM 1700 O O . PRO B 1 7 ? -33.632 10.298 18.082 1.00 74.30 ? 244 PRO B O 1 ATOM 1701 C CB . PRO B 1 7 ? -34.933 7.393 18.272 1.00 60.90 ? 244 PRO B CB 1 ATOM 1702 C CG . PRO B 1 7 ? -33.504 7.014 18.337 1.00 66.93 ? 244 PRO B CG 1 ATOM 1703 C CD . PRO B 1 7 ? -33.046 7.056 16.925 1.00 59.54 ? 244 PRO B CD 1 ATOM 1704 N N . PRO B 1 8 ? -35.865 10.410 18.430 1.00 69.36 ? 245 PRO B N 1 ATOM 1705 C CA . PRO B 1 8 ? -35.763 11.588 19.289 1.00 49.89 ? 245 PRO B CA 1 ATOM 1706 C C . PRO B 1 8 ? -35.135 11.173 20.594 1.00 43.03 ? 245 PRO B C 1 ATOM 1707 O O . PRO B 1 8 ? -35.166 10.010 20.928 1.00 66.60 ? 245 PRO B O 1 ATOM 1708 C CB . PRO B 1 8 ? -37.219 11.958 19.526 1.00 59.03 ? 245 PRO B CB 1 ATOM 1709 C CG . PRO B 1 8 ? -37.946 10.671 19.364 1.00 62.77 ? 245 PRO B CG 1 ATOM 1710 C CD . PRO B 1 8 ? -37.257 9.978 18.247 1.00 54.86 ? 245 PRO B CD 1 ATOM 1711 N N . LYS B 1 9 ? -34.556 12.116 21.311 1.00 67.12 ? 246 LYS B N 1 ATOM 1712 C CA . LYS B 1 9 ? -33.990 11.846 22.614 1.00 58.37 ? 246 LYS B CA 1 ATOM 1713 C C . LYS B 1 9 ? -35.150 11.520 23.525 1.00 48.17 ? 246 LYS B C 1 ATOM 1714 O O . LYS B 1 9 ? -36.251 12.016 23.317 1.00 57.34 ? 246 LYS B O 1 ATOM 1715 C CB . LYS B 1 9 ? -33.258 13.097 23.121 1.00 70.41 ? 246 LYS B CB 1 ATOM 1716 C CG . LYS B 1 9 ? -31.755 13.052 23.009 1.00 73.92 ? 246 LYS B CG 1 ATOM 1717 C CD . LYS B 1 9 ? -31.298 12.810 21.598 1.00 101.31 ? 246 LYS B CD 1 ATOM 1718 C CE . LYS B 1 9 ? -29.990 12.028 21.601 1.00 111.39 ? 246 LYS B CE 1 ATOM 1719 N NZ . LYS B 1 9 ? -30.030 10.919 20.589 1.00 108.90 ? 246 LYS B NZ 1 ATOM 1720 N N . PRO B 1 10 ? -34.927 10.649 24.512 1.00 54.67 ? 247 PRO B N 1 ATOM 1721 C CA . PRO B 1 10 ? -35.984 10.296 25.466 1.00 50.15 ? 247 PRO B CA 1 ATOM 1722 C C . PRO B 1 10 ? -36.629 11.515 26.080 1.00 46.56 ? 247 PRO B C 1 ATOM 1723 O O . PRO B 1 10 ? -37.828 11.741 25.929 1.00 53.57 ? 247 PRO B O 1 ATOM 1724 C CB . PRO B 1 10 ? -35.224 9.517 26.536 1.00 64.22 ? 247 PRO B CB 1 ATOM 1725 C CG . PRO B 1 10 ? -34.130 8.823 25.762 1.00 79.48 ? 247 PRO B CG 1 ATOM 1726 C CD . PRO B 1 10 ? -33.752 9.767 24.633 1.00 51.82 ? 247 PRO B CD 1 ATOM 1727 N N . LYS B 1 11 ? -35.806 12.312 26.737 1.00 72.13 ? 248 LYS B N 1 ATOM 1728 C CA . LYS B 1 11 ? -36.252 13.517 27.423 1.00 74.06 ? 248 LYS B CA 1 ATOM 1729 C C . LYS B 1 11 ? -37.163 14.423 26.585 1.00 77.24 ? 248 LYS B C 1 ATOM 1730 O O . LYS B 1 11 ? -38.086 15.046 27.114 1.00 60.11 ? 248 LYS B O 1 ATOM 1731 C CB . LYS B 1 11 ? -35.017 14.301 27.867 1.00 74.89 ? 248 LYS B CB 1 ATOM 1732 C CG . LYS B 1 11 ? -35.130 14.889 29.244 1.00 54.02 ? 248 LYS B CG 1 ATOM 1733 C CD . LYS B 1 11 ? -33.829 15.484 29.679 1.00 53.94 ? 248 LYS B CD 1 ATOM 1734 C CE . LYS B 1 11 ? -33.918 15.987 31.120 1.00 80.95 ? 248 LYS B CE 1 ATOM 1735 N NZ . LYS B 1 11 ? -33.603 17.426 31.241 1.00 85.76 ? 248 LYS B NZ 1 ATOM 1736 N N . ASP B 1 12 ? -36.890 14.488 25.284 1.00 75.05 ? 249 ASP B N 1 ATOM 1737 C CA . ASP B 1 12 ? -37.621 15.361 24.371 1.00 72.62 ? 249 ASP B CA 1 ATOM 1738 C C . ASP B 1 12 ? -39.080 14.994 24.283 1.00 72.04 ? 249 ASP B C 1 ATOM 1739 O O . ASP B 1 12 ? -39.941 15.857 24.273 1.00 104.22 ? 249 ASP B O 1 ATOM 1740 C CB . ASP B 1 12 ? -37.055 15.265 22.956 1.00 97.47 ? 249 ASP B CB 1 ATOM 1741 C CG . ASP B 1 12 ? -35.697 15.938 22.803 1.00 96.30 ? 249 ASP B CG 1 ATOM 1742 O OD1 . ASP B 1 12 ? -35.269 16.671 23.729 1.00 56.87 ? 249 ASP B OD1 1 ATOM 1743 O OD2 . ASP B 1 12 ? -35.062 15.738 21.738 1.00 55.80 ? 249 ASP B OD2 1 ATOM 1744 N N . THR B 1 13 ? -39.348 13.700 24.176 1.00 86.56 ? 250 THR B N 1 ATOM 1745 C CA . THR B 1 13 ? -40.698 13.204 23.988 1.00 65.19 ? 250 THR B CA 1 ATOM 1746 C C . THR B 1 13 ? -41.531 13.236 25.274 1.00 56.02 ? 250 THR B C 1 ATOM 1747 O O . THR B 1 13 ? -42.725 13.474 25.224 1.00 91.07 ? 250 THR B O 1 ATOM 1748 C CB . THR B 1 13 ? -40.656 11.772 23.431 1.00 61.10 ? 250 THR B CB 1 ATOM 1749 O OG1 . THR B 1 13 ? -39.961 10.931 24.356 1.00 75.09 ? 250 THR B OG1 1 ATOM 1750 C CG2 . THR B 1 13 ? -39.935 11.743 22.091 1.00 40.72 ? 250 THR B CG2 1 ATOM 1751 N N . LEU B 1 14 ? -40.904 12.996 26.420 1.00 36.55 ? 251 LEU B N 1 ATOM 1752 C CA . LEU B 1 14 ? -41.604 12.950 27.697 1.00 46.68 ? 251 LEU B CA 1 ATOM 1753 C C . LEU B 1 14 ? -41.721 14.271 28.423 1.00 40.00 ? 251 LEU B C 1 ATOM 1754 O O . LEU B 1 14 ? -41.866 14.280 29.641 1.00 64.39 ? 251 LEU B O 1 ATOM 1755 C CB . LEU B 1 14 ? -40.881 12.020 28.638 1.00 29.83 ? 251 LEU B CB 1 ATOM 1756 C CG . LEU B 1 14 ? -40.167 10.889 27.943 1.00 53.80 ? 251 LEU B CG 1 ATOM 1757 C CD1 . LEU B 1 14 ? -39.048 10.414 28.856 1.00 55.23 ? 251 LEU B CD1 1 ATOM 1758 C CD2 . LEU B 1 14 ? -41.160 9.759 27.601 1.00 57.66 ? 251 LEU B CD2 1 ATOM 1759 N N . MET B 1 15 ? -41.592 15.384 27.713 1.00 51.69 ? 252 MET B N 1 ATOM 1760 C CA . MET B 1 15 ? -41.664 16.702 28.333 1.00 33.06 ? 252 MET B CA 1 ATOM 1761 C C . MET B 1 15 ? -42.312 17.527 27.279 1.00 71.60 ? 252 MET B C 1 ATOM 1762 O O . MET B 1 15 ? -41.703 17.830 26.248 1.00 54.42 ? 252 MET B O 1 ATOM 1763 C CB . MET B 1 15 ? -40.289 17.294 28.642 1.00 51.67 ? 252 MET B CB 1 ATOM 1764 C CG . MET B 1 15 ? -39.666 16.833 29.947 1.00 63.67 ? 252 MET B CG 1 ATOM 1765 S SD . MET B 1 15 ? -38.049 17.585 30.222 1.00 142.91 ? 252 MET B SD 1 ATOM 1766 C CE . MET B 1 15 ? -38.488 19.322 30.282 1.00 101.45 ? 252 MET B CE 1 ATOM 1767 N N . ILE B 1 16 ? -43.570 17.861 27.532 1.00 67.80 ? 253 ILE B N 1 ATOM 1768 C CA . ILE B 1 16 ? -44.392 18.572 26.580 1.00 55.12 ? 253 ILE B CA 1 ATOM 1769 C C . ILE B 1 16 ? -43.727 19.871 26.091 1.00 68.38 ? 253 ILE B C 1 ATOM 1770 O O . ILE B 1 16 ? -43.889 20.255 24.930 1.00 63.15 ? 253 ILE B O 1 ATOM 1771 C CB . ILE B 1 16 ? -45.773 18.863 27.187 1.00 76.07 ? 253 ILE B CB 1 ATOM 1772 C CG1 . ILE B 1 16 ? -46.644 19.554 26.147 1.00 71.60 ? 253 ILE B CG1 1 ATOM 1773 C CG2 . ILE B 1 16 ? -45.651 19.675 28.464 1.00 86.64 ? 253 ILE B CG2 1 ATOM 1774 C CD1 . ILE B 1 16 ? -46.697 18.785 24.840 1.00 59.25 ? 253 ILE B CD1 1 ATOM 1775 N N . ALA B 1 17 ? -42.942 20.507 26.962 1.00 66.78 ? 254 ALA B N 1 ATOM 1776 C CA . ALA B 1 17 ? -42.277 21.755 26.629 1.00 49.92 ? 254 ALA B CA 1 ATOM 1777 C C . ALA B 1 17 ? -41.151 21.650 25.582 1.00 52.88 ? 254 ALA B C 1 ATOM 1778 O O . ALA B 1 17 ? -40.819 22.635 24.945 1.00 63.94 ? 254 ALA B O 1 ATOM 1779 C CB . ALA B 1 17 ? -41.777 22.397 27.893 1.00 67.18 ? 254 ALA B CB 1 ATOM 1780 N N . ARG B 1 18 ? -40.571 20.465 25.405 1.00 63.43 ? 255 ARG B N 1 ATOM 1781 C CA . ARG B 1 18 ? -39.422 20.305 24.511 1.00 73.09 ? 255 ARG B CA 1 ATOM 1782 C C . ARG B 1 18 ? -39.847 19.839 23.141 1.00 67.23 ? 255 ARG B C 1 ATOM 1783 O O . ARG B 1 18 ? -41.014 19.525 22.930 1.00 61.04 ? 255 ARG B O 1 ATOM 1784 C CB . ARG B 1 18 ? -38.426 19.315 25.084 1.00 49.18 ? 255 ARG B CB 1 ATOM 1785 C CG . ARG B 1 18 ? -38.230 19.484 26.546 1.00 61.68 ? 255 ARG B CG 1 ATOM 1786 C CD . ARG B 1 18 ? -37.092 18.657 26.943 1.00 70.85 ? 255 ARG B CD 1 ATOM 1787 N NE . ARG B 1 18 ? -36.117 18.641 25.868 1.00 92.15 ? 255 ARG B NE 1 ATOM 1788 C CZ . ARG B 1 18 ? -34.848 18.975 26.030 1.00 98.71 ? 255 ARG B CZ 1 ATOM 1789 N NH1 . ARG B 1 18 ? -34.430 19.343 27.233 1.00 44.91 ? 255 ARG B NH1 1 ATOM 1790 N NH2 . ARG B 1 18 ? -34.011 18.931 25.001 1.00 141.14 ? 255 ARG B NH2 1 ATOM 1791 N N . THR B 1 19 ? -38.892 19.769 22.219 1.00 58.68 ? 256 THR B N 1 ATOM 1792 C CA . THR B 1 19 ? -39.216 19.508 20.820 1.00 68.07 ? 256 THR B CA 1 ATOM 1793 C C . THR B 1 19 ? -38.478 18.292 20.272 1.00 82.91 ? 256 THR B C 1 ATOM 1794 O O . THR B 1 19 ? -37.330 18.393 19.835 1.00 118.14 ? 256 THR B O 1 ATOM 1795 C CB . THR B 1 19 ? -38.890 20.739 19.960 1.00 73.97 ? 256 THR B CB 1 ATOM 1796 O OG1 . THR B 1 19 ? -39.715 21.837 20.367 1.00 60.86 ? 256 THR B OG1 1 ATOM 1797 C CG2 . THR B 1 19 ? -39.117 20.444 18.482 1.00 72.70 ? 256 THR B CG2 1 ATOM 1798 N N . PRO B 1 20 ? -39.139 17.131 20.293 1.00 88.87 ? 257 PRO B N 1 ATOM 1799 C CA . PRO B 1 20 ? -38.545 15.877 19.820 1.00 80.40 ? 257 PRO B CA 1 ATOM 1800 C C . PRO B 1 20 ? -38.461 15.854 18.299 1.00 67.01 ? 257 PRO B C 1 ATOM 1801 O O . PRO B 1 20 ? -39.387 16.316 17.625 1.00 64.30 ? 257 PRO B O 1 ATOM 1802 C CB . PRO B 1 20 ? -39.539 14.827 20.307 1.00 84.37 ? 257 PRO B CB 1 ATOM 1803 C CG . PRO B 1 20 ? -40.860 15.552 20.350 1.00 82.46 ? 257 PRO B CG 1 ATOM 1804 C CD . PRO B 1 20 ? -40.527 16.956 20.767 1.00 95.35 ? 257 PRO B CD 1 ATOM 1805 N N . GLU B 1 21 ? -37.368 15.338 17.755 1.00 62.33 ? 258 GLU B N 1 ATOM 1806 C CA . GLU B 1 21 ? -37.227 15.332 16.307 1.00 74.43 ? 258 GLU B CA 1 ATOM 1807 C C . GLU B 1 21 ? -36.409 14.139 15.797 1.00 86.83 ? 258 GLU B C 1 ATOM 1808 O O . GLU B 1 21 ? -35.340 13.826 16.324 1.00 93.11 ? 258 GLU B O 1 ATOM 1809 C CB . GLU B 1 21 ? -36.651 16.670 15.814 1.00 51.69 ? 258 GLU B CB 1 ATOM 1810 C CG . GLU B 1 21 ? -35.406 17.119 16.554 1.00 98.98 ? 258 GLU B CG 1 ATOM 1811 C CD . GLU B 1 21 ? -35.128 18.624 16.421 1.00 112.26 ? 258 GLU B CD 1 ATOM 1812 O OE1 . GLU B 1 21 ? -34.864 19.290 17.447 1.00 111.03 ? 258 GLU B OE1 1 ATOM 1813 O OE2 . GLU B 1 21 ? -35.167 19.150 15.295 1.00 88.45 ? 258 GLU B OE2 1 ATOM 1814 N N . VAL B 1 22 ? -36.924 13.459 14.779 1.00 67.60 ? 259 VAL B N 1 ATOM 1815 C CA . VAL B 1 22 ? -36.151 12.400 14.157 1.00 79.31 ? 259 VAL B CA 1 ATOM 1816 C C . VAL B 1 22 ? -35.252 12.982 13.077 1.00 82.16 ? 259 VAL B C 1 ATOM 1817 O O . VAL B 1 22 ? -35.653 13.869 12.317 1.00 120.82 ? 259 VAL B O 1 ATOM 1818 C CB . VAL B 1 22 ? -37.028 11.225 13.637 1.00 72.07 ? 259 VAL B CB 1 ATOM 1819 C CG1 . VAL B 1 22 ? -38.268 11.091 14.477 1.00 68.96 ? 259 VAL B CG1 1 ATOM 1820 C CG2 . VAL B 1 22 ? -37.412 11.395 12.192 1.00 73.82 ? 259 VAL B CG2 1 ATOM 1821 N N . THR B 1 23 ? -34.019 12.502 13.044 1.00 63.84 ? 260 THR B N 1 ATOM 1822 C CA . THR B 1 23 ? -33.047 12.996 12.106 1.00 75.04 ? 260 THR B CA 1 ATOM 1823 C C . THR B 1 23 ? -32.786 11.941 11.052 1.00 84.34 ? 260 THR B C 1 ATOM 1824 O O . THR B 1 23 ? -32.662 10.772 11.372 1.00 95.55 ? 260 THR B O 1 ATOM 1825 C CB . THR B 1 23 ? -31.749 13.290 12.832 1.00 83.21 ? 260 THR B CB 1 ATOM 1826 O OG1 . THR B 1 23 ? -31.978 13.149 14.235 1.00 83.60 ? 260 THR B OG1 1 ATOM 1827 C CG2 . THR B 1 23 ? -31.298 14.711 12.539 1.00 107.95 ? 260 THR B CG2 1 ATOM 1828 N N . CYS B 1 24 ? -32.707 12.348 9.791 1.00 93.00 ? 261 CYS B N 1 ATOM 1829 C CA . CYS B 1 24 ? -32.343 11.435 8.718 1.00 81.86 ? 261 CYS B CA 1 ATOM 1830 C C . CYS B 1 24 ? -30.973 11.816 8.193 1.00 99.29 ? 261 CYS B C 1 ATOM 1831 O O . CYS B 1 24 ? -30.874 12.522 7.195 1.00 137.65 ? 261 CYS B O 1 ATOM 1832 C CB . CYS B 1 24 ? -33.358 11.531 7.585 1.00 92.35 ? 261 CYS B CB 1 ATOM 1833 S SG . CYS B 1 24 ? -33.288 10.216 6.357 1.00 111.07 ? 261 CYS B SG 1 ATOM 1834 N N . VAL B 1 25 ? -29.918 11.379 8.874 1.00 89.08 ? 262 VAL B N 1 ATOM 1835 C CA . VAL B 1 25 ? -28.551 11.679 8.442 1.00 103.58 ? 262 VAL B CA 1 ATOM 1836 C C . VAL B 1 25 ? -28.261 10.906 7.140 1.00 104.60 ? 262 VAL B C 1 ATOM 1837 O O . VAL B 1 25 ? -28.757 9.790 6.991 1.00 85.26 ? 262 VAL B O 1 ATOM 1838 C CB . VAL B 1 25 ? -27.548 11.295 9.555 1.00 97.75 ? 262 VAL B CB 1 ATOM 1839 C CG1 . VAL B 1 25 ? -26.167 11.090 9.012 1.00 71.95 ? 262 VAL B CG1 1 ATOM 1840 C CG2 . VAL B 1 25 ? -27.541 12.350 10.667 1.00 79.01 ? 262 VAL B CG2 1 ATOM 1841 N N . VAL B 1 26 ? -27.524 11.510 6.193 1.00 80.76 ? 263 VAL B N 1 ATOM 1842 C CA . VAL B 1 26 ? -27.052 10.806 4.980 1.00 106.95 ? 263 VAL B CA 1 ATOM 1843 C C . VAL B 1 26 ? -25.581 10.954 4.794 1.00 130.07 ? 263 VAL B C 1 ATOM 1844 O O . VAL B 1 26 ? -25.118 11.906 4.143 1.00 133.57 ? 263 VAL B O 1 ATOM 1845 C CB . VAL B 1 26 ? -27.602 11.377 3.659 1.00 113.36 ? 263 VAL B CB 1 ATOM 1846 C CG1 . VAL B 1 26 ? -28.183 10.325 2.820 1.00 84.15 ? 263 VAL B CG1 1 ATOM 1847 C CG2 . VAL B 1 26 ? -28.733 12.350 3.982 1.00 144.69 ? 263 VAL B CG2 1 ATOM 1848 N N . VAL B 1 27 ? -24.822 10.018 5.331 1.00 128.26 ? 264 VAL B N 1 ATOM 1849 C CA . VAL B 1 27 ? -23.379 10.099 5.140 1.00 129.77 ? 264 VAL B CA 1 ATOM 1850 C C . VAL B 1 27 ? -23.019 9.522 3.778 1.00 164.12 ? 264 VAL B C 1 ATOM 1851 O O . VAL B 1 27 ? -23.731 8.621 3.315 1.00 171.95 ? 264 VAL B O 1 ATOM 1852 C CB . VAL B 1 27 ? -22.640 9.390 6.281 1.00 120.31 ? 264 VAL B CB 1 ATOM 1853 C CG1 . VAL B 1 27 ? -23.355 9.639 7.551 1.00 118.03 ? 264 VAL B CG1 1 ATOM 1854 C CG2 . VAL B 1 27 ? -22.552 7.914 6.026 1.00 105.38 ? 264 VAL B CG2 1 ATOM 1855 N N . ASP B 1 28 ? -22.023 10.108 3.108 1.00 189.59 ? 265 ASP B N 1 ATOM 1856 C CA . ASP B 1 28 ? -21.518 9.600 1.832 1.00 199.84 ? 265 ASP B CA 1 ATOM 1857 C C . ASP B 1 28 ? -22.459 9.860 0.647 1.00 202.42 ? 265 ASP B C 1 ATOM 1858 O O . ASP B 1 28 ? -23.045 8.862 0.051 1.00 195.53 ? 265 ASP B O 1 ATOM 1859 C CB . ASP B 1 28 ? -21.203 8.143 1.877 1.00 191.84 ? 265 ASP B CB 1 ATOM 1860 C CG . ASP B 1 28 ? -20.027 7.838 2.816 1.00 182.18 ? 265 ASP B CG 1 ATOM 1861 O OD1 . ASP B 1 28 ? -20.291 7.620 4.040 1.00 182.34 ? 265 ASP B OD1 1 ATOM 1862 O OD2 . ASP B 1 28 ? -18.843 7.757 2.355 1.00 180.37 ? 265 ASP B OD2 1 ATOM 1863 N N . VAL B 1 29 ? -22.534 11.112 0.147 1.00 206.37 ? 266 VAL B N 1 ATOM 1864 C CA . VAL B 1 29 ? -23.139 11.155 -1.259 1.00 206.01 ? 266 VAL B CA 1 ATOM 1865 C C . VAL B 1 29 ? -21.865 11.755 -2.004 1.00 205.09 ? 266 VAL B C 1 ATOM 1866 O O . VAL B 1 29 ? -20.823 12.276 -1.328 1.00 212.89 ? 266 VAL B O 1 ATOM 1867 C CB . VAL B 1 29 ? -24.424 11.919 -1.375 1.00 196.80 ? 266 VAL B CB 1 ATOM 1868 C CG1 . VAL B 1 29 ? -24.598 12.648 0.014 1.00 189.39 ? 266 VAL B CG1 1 ATOM 1869 C CG2 . VAL B 1 29 ? -24.505 12.630 -2.548 1.00 203.45 ? 266 VAL B CG2 1 ATOM 1870 N N . SER B 1 30 ? -21.788 11.633 -3.365 1.00 194.41 ? 267 SER B N 1 ATOM 1871 C CA . SER B 1 30 ? -20.527 12.024 -4.027 1.00 183.84 ? 267 SER B CA 1 ATOM 1872 C C . SER B 1 30 ? -20.613 13.330 -4.744 1.00 206.80 ? 267 SER B C 1 ATOM 1873 O O . SER B 1 30 ? -21.670 13.727 -5.165 1.00 212.57 ? 267 SER B O 1 ATOM 1874 C CB . SER B 1 30 ? -20.188 10.943 -5.023 1.00 172.51 ? 267 SER B CB 1 ATOM 1875 O OG . SER B 1 30 ? -20.964 11.095 -6.192 1.00 166.27 ? 267 SER B OG 1 ATOM 1876 N N . HIS B 1 31 ? -19.493 14.002 -4.924 1.00 213.13 ? 268 HIS B N 1 ATOM 1877 C CA . HIS B 1 31 ? -19.514 15.295 -5.654 1.00 209.98 ? 268 HIS B CA 1 ATOM 1878 C C . HIS B 1 31 ? -20.232 15.224 -7.018 1.00 203.15 ? 268 HIS B C 1 ATOM 1879 O O . HIS B 1 31 ? -21.099 16.048 -7.336 1.00 200.13 ? 268 HIS B O 1 ATOM 1880 C CB . HIS B 1 31 ? -18.125 15.920 -5.887 1.00 217.52 ? 268 HIS B CB 1 ATOM 1881 C CG . HIS B 1 31 ? -17.411 16.328 -4.645 1.00 224.61 ? 268 HIS B CG 1 ATOM 1882 N ND1 . HIS B 1 31 ? -17.624 17.600 -4.052 1.00 229.06 ? 268 HIS B ND1 1 ATOM 1883 C CD2 . HIS B 1 31 ? -16.453 15.672 -3.885 1.00 225.54 ? 268 HIS B CD2 1 ATOM 1884 C CE1 . HIS B 1 31 ? -16.857 17.683 -2.997 1.00 222.63 ? 268 HIS B CE1 1 ATOM 1885 N NE2 . HIS B 1 31 ? -16.115 16.529 -2.887 1.00 217.17 ? 268 HIS B NE2 1 ATOM 1886 N N . GLU B 1 32 ? -19.878 14.189 -7.775 1.00 201.04 ? 269 GLU B N 1 ATOM 1887 C CA . GLU B 1 32 ? -20.510 13.768 -9.038 1.00 203.89 ? 269 GLU B CA 1 ATOM 1888 C C . GLU B 1 32 ? -21.997 14.108 -9.117 1.00 218.72 ? 269 GLU B C 1 ATOM 1889 O O . GLU B 1 32 ? -22.454 14.910 -9.941 1.00 203.13 ? 269 GLU B O 1 ATOM 1890 C CB . GLU B 1 32 ? -20.366 12.230 -9.133 1.00 196.54 ? 269 GLU B CB 1 ATOM 1891 C CG . GLU B 1 32 ? -19.058 11.685 -9.850 1.00 189.90 ? 269 GLU B CG 1 ATOM 1892 C CD . GLU B 1 32 ? -17.733 12.194 -9.229 1.00 176.88 ? 269 GLU B CD 1 ATOM 1893 O OE1 . GLU B 1 32 ? -17.742 13.006 -8.266 1.00 177.17 ? 269 GLU B OE1 1 ATOM 1894 O OE2 . GLU B 1 32 ? -16.667 11.809 -9.759 1.00 153.88 ? 269 GLU B OE2 1 ATOM 1895 N N . ASP B 1 33 ? -22.741 13.454 -8.233 1.00 226.61 ? 270 ASP B N 1 ATOM 1896 C CA . ASP B 1 33 ? -24.191 13.587 -8.117 1.00 229.31 ? 270 ASP B CA 1 ATOM 1897 C C . ASP B 1 33 ? -24.553 14.020 -6.689 1.00 226.39 ? 270 ASP B C 1 ATOM 1898 O O . ASP B 1 33 ? -24.621 13.189 -5.789 1.00 229.74 ? 270 ASP B O 1 ATOM 1899 C CB . ASP B 1 33 ? -24.849 12.236 -8.445 1.00 228.52 ? 270 ASP B CB 1 ATOM 1900 C CG . ASP B 1 33 ? -24.888 11.950 -9.935 1.00 234.17 ? 270 ASP B CG 1 ATOM 1901 O OD1 . ASP B 1 33 ? -24.608 12.889 -10.716 1.00 234.32 ? 270 ASP B OD1 1 ATOM 1902 O OD2 . ASP B 1 33 ? -25.228 10.804 -10.313 1.00 239.79 ? 270 ASP B OD2 1 ATOM 1903 N N . PRO B 1 34 ? -24.782 15.324 -6.484 1.00 220.38 ? 271 PRO B N 1 ATOM 1904 C CA . PRO B 1 34 ? -24.901 15.911 -5.144 1.00 218.58 ? 271 PRO B CA 1 ATOM 1905 C C . PRO B 1 34 ? -26.283 15.910 -4.549 1.00 221.68 ? 271 PRO B C 1 ATOM 1906 O O . PRO B 1 34 ? -26.497 15.926 -3.338 1.00 211.03 ? 271 PRO B O 1 ATOM 1907 C CB . PRO B 1 34 ? -24.416 17.356 -5.355 1.00 219.87 ? 271 PRO B CB 1 ATOM 1908 C CG . PRO B 1 34 ? -24.579 17.638 -6.821 1.00 218.94 ? 271 PRO B CG 1 ATOM 1909 C CD . PRO B 1 34 ? -24.564 16.332 -7.536 1.00 214.50 ? 271 PRO B CD 1 ATOM 1910 N N . GLU B 1 35 ? -27.226 15.857 -5.459 1.00 224.83 ? 272 GLU B N 1 ATOM 1911 C CA . GLU B 1 35 ? -28.594 16.258 -5.248 1.00 225.16 ? 272 GLU B CA 1 ATOM 1912 C C . GLU B 1 35 ? -29.421 15.228 -4.479 1.00 208.16 ? 272 GLU B C 1 ATOM 1913 O O . GLU B 1 35 ? -29.411 14.055 -4.843 1.00 212.39 ? 272 GLU B O 1 ATOM 1914 C CB . GLU B 1 35 ? -29.203 16.499 -6.647 1.00 245.27 ? 272 GLU B CB 1 ATOM 1915 C CG . GLU B 1 35 ? -30.784 16.494 -6.736 1.00 276.52 ? 272 GLU B CG 1 ATOM 1916 C CD . GLU B 1 35 ? -31.365 17.814 -7.154 1.00 281.64 ? 272 GLU B CD 1 ATOM 1917 O OE1 . GLU B 1 35 ? -30.655 18.849 -6.968 1.00 280.78 ? 272 GLU B OE1 1 ATOM 1918 O OE2 . GLU B 1 35 ? -32.525 17.680 -7.584 1.00 292.16 ? 272 GLU B OE2 1 ATOM 1919 N N . VAL B 1 36 ? -30.163 15.671 -3.455 1.00 208.78 ? 273 VAL B N 1 ATOM 1920 C CA . VAL B 1 36 ? -30.999 14.770 -2.633 1.00 189.94 ? 273 VAL B CA 1 ATOM 1921 C C . VAL B 1 36 ? -32.376 15.310 -2.228 1.00 170.13 ? 273 VAL B C 1 ATOM 1922 O O . VAL B 1 36 ? -32.459 16.368 -1.607 1.00 192.70 ? 273 VAL B O 1 ATOM 1923 C CB . VAL B 1 36 ? -30.272 14.336 -1.313 1.00 147.96 ? 273 VAL B CB 1 ATOM 1924 C CG1 . VAL B 1 36 ? -30.338 12.810 -1.126 1.00 147.13 ? 273 VAL B CG1 1 ATOM 1925 C CG2 . VAL B 1 36 ? -28.779 14.744 -1.327 1.00 149.35 ? 273 VAL B CG2 1 ATOM 1926 N N . LYS B 1 37 ? -33.448 14.575 -2.536 1.00 129.72 ? 274 LYS B N 1 ATOM 1927 C CA . LYS B 1 37 ? -34.803 14.997 -2.124 1.00 145.17 ? 274 LYS B CA 1 ATOM 1928 C C . LYS B 1 37 ? -35.391 14.155 -0.994 1.00 150.98 ? 274 LYS B C 1 ATOM 1929 O O . LYS B 1 37 ? -35.455 12.934 -1.098 1.00 145.06 ? 274 LYS B O 1 ATOM 1930 C CB . LYS B 1 37 ? -35.789 15.005 -3.300 1.00 147.99 ? 274 LYS B CB 1 ATOM 1931 C CG . LYS B 1 37 ? -37.269 15.061 -2.869 1.00 145.12 ? 274 LYS B CG 1 ATOM 1932 C CD . LYS B 1 37 ? -38.184 14.763 -4.047 1.00 152.80 ? 274 LYS B CD 1 ATOM 1933 C CE . LYS B 1 37 ? -37.768 13.473 -4.761 1.00 146.02 ? 274 LYS B CE 1 ATOM 1934 N NZ . LYS B 1 37 ? -38.710 12.346 -4.503 1.00 131.93 ? 274 LYS B NZ 1 ATOM 1935 N N . PHE B 1 38 ? -35.855 14.806 0.069 1.00 143.10 ? 275 PHE B N 1 ATOM 1936 C CA . PHE B 1 38 ? -36.312 14.069 1.244 1.00 130.15 ? 275 PHE B CA 1 ATOM 1937 C C . PHE B 1 38 ? -37.822 14.064 1.385 1.00 135.41 ? 275 PHE B C 1 ATOM 1938 O O . PHE B 1 38 ? -38.413 15.024 1.874 1.00 158.22 ? 275 PHE B O 1 ATOM 1939 C CB . PHE B 1 38 ? -35.687 14.637 2.515 1.00 123.17 ? 275 PHE B CB 1 ATOM 1940 C CG . PHE B 1 38 ? -34.208 14.452 2.596 1.00 144.45 ? 275 PHE B CG 1 ATOM 1941 C CD1 . PHE B 1 38 ? -33.548 13.619 1.719 1.00 172.03 ? 275 PHE B CD1 1 ATOM 1942 C CD2 . PHE B 1 38 ? -33.476 15.107 3.555 1.00 155.43 ? 275 PHE B CD2 1 ATOM 1943 C CE1 . PHE B 1 38 ? -32.182 13.460 1.802 1.00 191.76 ? 275 PHE B CE1 1 ATOM 1944 C CE2 . PHE B 1 38 ? -32.123 14.938 3.667 1.00 170.71 ? 275 PHE B CE2 1 ATOM 1945 C CZ . PHE B 1 38 ? -31.473 14.121 2.788 1.00 192.30 ? 275 PHE B CZ 1 ATOM 1946 N N . ASN B 1 39 ? -38.445 12.982 0.945 1.00 140.13 ? 276 ASN B N 1 ATOM 1947 C CA . ASN B 1 39 ? -39.865 12.804 1.167 1.00 138.67 ? 276 ASN B CA 1 ATOM 1948 C C . ASN B 1 39 ? -40.108 12.057 2.478 1.00 139.29 ? 276 ASN B C 1 ATOM 1949 O O . ASN B 1 39 ? -39.757 10.880 2.625 1.00 129.11 ? 276 ASN B O 1 ATOM 1950 C CB . ASN B 1 39 ? -40.512 12.083 -0.015 1.00 144.50 ? 276 ASN B CB 1 ATOM 1951 C CG . ASN B 1 39 ? -40.443 12.878 -1.293 1.00 147.71 ? 276 ASN B CG 1 ATOM 1952 O OD1 . ASN B 1 39 ? -40.261 12.315 -2.384 1.00 134.43 ? 276 ASN B OD1 1 ATOM 1953 N ND2 . ASN B 1 39 ? -40.597 14.199 -1.173 1.00 153.04 ? 276 ASN B ND2 1 ATOM 1954 N N . TRP B 1 40 ? -40.680 12.765 3.443 1.00 132.88 ? 277 TRP B N 1 ATOM 1955 C CA . TRP B 1 40 ? -40.946 12.190 4.747 1.00 115.29 ? 277 TRP B CA 1 ATOM 1956 C C . TRP B 1 40 ? -42.340 11.622 4.726 1.00 119.25 ? 277 TRP B C 1 ATOM 1957 O O . TRP B 1 40 ? -43.229 12.165 4.072 1.00 141.36 ? 277 TRP B O 1 ATOM 1958 C CB . TRP B 1 40 ? -40.791 13.246 5.846 1.00 108.15 ? 277 TRP B CB 1 ATOM 1959 C CG . TRP B 1 40 ? -39.361 13.579 6.084 1.00 120.76 ? 277 TRP B CG 1 ATOM 1960 C CD1 . TRP B 1 40 ? -38.581 14.437 5.358 1.00 130.36 ? 277 TRP B CD1 1 ATOM 1961 C CD2 . TRP B 1 40 ? -38.518 13.031 7.100 1.00 102.45 ? 277 TRP B CD2 1 ATOM 1962 N NE1 . TRP B 1 40 ? -37.308 14.461 5.869 1.00 104.23 ? 277 TRP B NE1 1 ATOM 1963 C CE2 . TRP B 1 40 ? -37.246 13.607 6.939 1.00 88.28 ? 277 TRP B CE2 1 ATOM 1964 C CE3 . TRP B 1 40 ? -38.719 12.115 8.136 1.00 88.00 ? 277 TRP B CE3 1 ATOM 1965 C CZ2 . TRP B 1 40 ? -36.187 13.298 7.776 1.00 109.73 ? 277 TRP B CZ2 1 ATOM 1966 C CZ3 . TRP B 1 40 ? -37.665 11.807 8.956 1.00 89.19 ? 277 TRP B CZ3 1 ATOM 1967 C CH2 . TRP B 1 40 ? -36.415 12.398 8.778 1.00 113.85 ? 277 TRP B CH2 1 ATOM 1968 N N . TYR B 1 41 ? -42.516 10.503 5.416 1.00 102.79 ? 278 TYR B N 1 ATOM 1969 C CA . TYR B 1 41 ? -43.798 9.829 5.457 1.00 98.48 ? 278 TYR B CA 1 ATOM 1970 C C . TYR B 1 41 ? -44.044 9.445 6.903 1.00 96.73 ? 278 TYR B C 1 ATOM 1971 O O . TYR B 1 41 ? -43.138 8.945 7.576 1.00 96.06 ? 278 TYR B O 1 ATOM 1972 C CB . TYR B 1 41 ? -43.787 8.578 4.568 1.00 120.13 ? 278 TYR B CB 1 ATOM 1973 C CG . TYR B 1 41 ? -43.568 8.830 3.083 1.00 137.29 ? 278 TYR B CG 1 ATOM 1974 C CD1 . TYR B 1 41 ? -42.368 9.349 2.613 1.00 142.66 ? 278 TYR B CD1 1 ATOM 1975 C CD2 . TYR B 1 41 ? -44.548 8.508 2.147 1.00 131.40 ? 278 TYR B CD2 1 ATOM 1976 C CE1 . TYR B 1 41 ? -42.155 9.559 1.263 1.00 135.18 ? 278 TYR B CE1 1 ATOM 1977 C CE2 . TYR B 1 41 ? -44.340 8.722 0.789 1.00 144.40 ? 278 TYR B CE2 1 ATOM 1978 C CZ . TYR B 1 41 ? -43.140 9.249 0.357 1.00 151.61 ? 278 TYR B CZ 1 ATOM 1979 O OH . TYR B 1 41 ? -42.920 9.469 -0.986 1.00 156.01 ? 278 TYR B OH 1 ATOM 1980 N N . VAL B 1 42 ? -45.259 9.691 7.386 1.00 91.39 ? 279 VAL B N 1 ATOM 1981 C CA . VAL B 1 42 ? -45.623 9.340 8.756 1.00 88.19 ? 279 VAL B CA 1 ATOM 1982 C C . VAL B 1 42 ? -46.854 8.450 8.774 1.00 114.83 ? 279 VAL B C 1 ATOM 1983 O O . VAL B 1 42 ? -47.948 8.889 8.404 1.00 110.67 ? 279 VAL B O 1 ATOM 1984 C CB . VAL B 1 42 ? -45.931 10.574 9.588 1.00 75.39 ? 279 VAL B CB 1 ATOM 1985 C CG1 . VAL B 1 42 ? -46.443 10.163 10.949 1.00 86.34 ? 279 VAL B CG1 1 ATOM 1986 C CG2 . VAL B 1 42 ? -44.690 11.441 9.710 1.00 76.06 ? 279 VAL B CG2 1 ATOM 1987 N N . ASP B 1 43 ? -46.668 7.207 9.217 1.00 105.64 ? 280 ASP B N 1 ATOM 1988 C CA . ASP B 1 43 ? -47.687 6.176 9.074 1.00 91.36 ? 280 ASP B CA 1 ATOM 1989 C C . ASP B 1 43 ? -48.075 6.067 7.615 1.00 110.38 ? 280 ASP B C 1 ATOM 1990 O O . ASP B 1 43 ? -49.208 5.710 7.292 1.00 131.29 ? 280 ASP B O 1 ATOM 1991 C CB . ASP B 1 43 ? -48.929 6.469 9.923 1.00 82.07 ? 280 ASP B CB 1 ATOM 1992 C CG . ASP B 1 43 ? -48.850 5.853 11.313 1.00 116.04 ? 280 ASP B CG 1 ATOM 1993 O OD1 . ASP B 1 43 ? -47.968 4.991 11.545 1.00 124.66 ? 280 ASP B OD1 1 ATOM 1994 O OD2 . ASP B 1 43 ? -49.683 6.223 12.171 1.00 130.07 ? 280 ASP B OD2 1 ATOM 1995 N N . GLY B 1 44 ? -47.133 6.391 6.735 1.00 116.76 ? 281 GLY B N 1 ATOM 1996 C CA . GLY B 1 44 ? -47.386 6.331 5.312 1.00 126.63 ? 281 GLY B CA 1 ATOM 1997 C C . GLY B 1 44 ? -47.823 7.655 4.733 1.00 133.21 ? 281 GLY B C 1 ATOM 1998 O O . GLY B 1 44 ? -47.436 7.991 3.612 1.00 159.70 ? 281 GLY B O 1 ATOM 1999 N N . VAL B 1 45 ? -48.627 8.412 5.481 1.00 131.98 ? 282 VAL B N 1 ATOM 2000 C CA . VAL B 1 45 ? -49.058 9.717 4.988 1.00 139.50 ? 282 VAL B CA 1 ATOM 2001 C C . VAL B 1 45 ? -47.874 10.664 4.840 1.00 138.10 ? 282 VAL B C 1 ATOM 2002 O O . VAL B 1 45 ? -47.167 10.964 5.807 1.00 152.64 ? 282 VAL B O 1 ATOM 2003 C CB . VAL B 1 45 ? -50.288 10.363 5.749 1.00 94.25 ? 282 VAL B CB 1 ATOM 2004 C CG1 . VAL B 1 45 ? -50.985 9.427 6.748 1.00 81.18 ? 282 VAL B CG1 1 ATOM 2005 C CG2 . VAL B 1 45 ? -50.041 11.791 6.236 1.00 88.87 ? 282 VAL B CG2 1 ATOM 2006 N N . GLU B 1 46 ? -47.634 11.084 3.601 1.00 118.30 ? 283 GLU B N 1 ATOM 2007 C CA . GLU B 1 46 ? -46.516 11.961 3.306 1.00 124.16 ? 283 GLU B CA 1 ATOM 2008 C C . GLU B 1 46 ? -46.665 13.257 4.092 1.00 130.85 ? 283 GLU B C 1 ATOM 2009 O O . GLU B 1 46 ? -47.737 13.857 4.114 1.00 120.43 ? 283 GLU B O 1 ATOM 2010 C CB . GLU B 1 46 ? -46.434 12.245 1.806 1.00 123.02 ? 283 GLU B CB 1 ATOM 2011 C CG . GLU B 1 46 ? -45.206 13.040 1.387 1.00 123.60 ? 283 GLU B CG 1 ATOM 2012 C CD . GLU B 1 46 ? -44.967 12.980 -0.109 1.00 130.11 ? 283 GLU B CD 1 ATOM 2013 O OE1 . GLU B 1 46 ? -45.632 12.157 -0.790 1.00 123.70 ? 283 GLU B OE1 1 ATOM 2014 O OE2 . GLU B 1 46 ? -44.116 13.756 -0.599 1.00 112.18 ? 283 GLU B OE2 1 ATOM 2015 N N . VAL B 1 47 ? -45.598 13.664 4.768 1.00 140.02 ? 284 VAL B N 1 ATOM 2016 C CA . VAL B 1 47 ? -45.598 14.926 5.490 1.00 124.50 ? 284 VAL B CA 1 ATOM 2017 C C . VAL B 1 47 ? -44.714 15.915 4.764 1.00 148.70 ? 284 VAL B C 1 ATOM 2018 O O . VAL B 1 47 ? -43.809 15.522 4.026 1.00 136.81 ? 284 VAL B O 1 ATOM 2019 C CB . VAL B 1 47 ? -45.101 14.765 6.925 1.00 118.87 ? 284 VAL B CB 1 ATOM 2020 C CG1 . VAL B 1 47 ? -46.267 14.534 7.869 1.00 113.47 ? 284 VAL B CG1 1 ATOM 2021 C CG2 . VAL B 1 47 ? -44.100 13.636 7.002 1.00 119.80 ? 284 VAL B CG2 1 ATOM 2022 N N . HIS B 1 48 ? -44.973 17.199 4.990 1.00 186.26 ? 285 HIS B N 1 ATOM 2023 C CA . HIS B 1 48 ? -44.356 18.248 4.193 1.00 177.09 ? 285 HIS B CA 1 ATOM 2024 C C . HIS B 1 48 ? -43.679 19.303 5.043 1.00 172.85 ? 285 HIS B C 1 ATOM 2025 O O . HIS B 1 48 ? -43.156 20.272 4.514 1.00 166.98 ? 285 HIS B O 1 ATOM 2026 C CB . HIS B 1 48 ? -45.399 18.886 3.271 1.00 184.19 ? 285 HIS B CB 1 ATOM 2027 C CG . HIS B 1 48 ? -46.095 17.900 2.392 1.00 185.93 ? 285 HIS B CG 1 ATOM 2028 N ND1 . HIS B 1 48 ? -45.733 17.686 1.077 1.00 193.56 ? 285 HIS B ND1 1 ATOM 2029 C CD2 . HIS B 1 48 ? -47.111 17.039 2.642 1.00 190.07 ? 285 HIS B CD2 1 ATOM 2030 C CE1 . HIS B 1 48 ? -46.504 16.750 0.556 1.00 187.83 ? 285 HIS B CE1 1 ATOM 2031 N NE2 . HIS B 1 48 ? -47.353 16.342 1.486 1.00 180.53 ? 285 HIS B NE2 1 ATOM 2032 N N . ASN B 1 49 ? -43.698 19.104 6.360 1.00 147.25 ? 286 ASN B N 1 ATOM 2033 C CA . ASN B 1 49 ? -42.984 19.973 7.291 1.00 121.14 ? 286 ASN B CA 1 ATOM 2034 C C . ASN B 1 49 ? -41.545 19.510 7.475 1.00 106.55 ? 286 ASN B C 1 ATOM 2035 O O . ASN B 1 49 ? -40.974 19.597 8.572 1.00 92.40 ? 286 ASN B O 1 ATOM 2036 C CB . ASN B 1 49 ? -43.696 20.021 8.634 1.00 111.68 ? 286 ASN B CB 1 ATOM 2037 C CG . ASN B 1 49 ? -44.694 18.911 8.789 1.00 131.71 ? 286 ASN B CG 1 ATOM 2038 O OD1 . ASN B 1 49 ? -45.527 18.681 7.907 1.00 140.76 ? 286 ASN B OD1 1 ATOM 2039 N ND2 . ASN B 1 49 ? -44.610 18.193 9.906 1.00 132.92 ? 286 ASN B ND2 1 ATOM 2040 N N . ALA B 1 50 ? -40.977 19.010 6.381 1.00 114.45 ? 287 ALA B N 1 ATOM 2041 C CA . ALA B 1 50 ? -39.584 18.604 6.329 1.00 126.68 ? 287 ALA B CA 1 ATOM 2042 C C . ALA B 1 50 ? -38.730 19.789 6.738 1.00 122.02 ? 287 ALA B C 1 ATOM 2043 O O . ALA B 1 50 ? -39.119 20.936 6.537 1.00 134.72 ? 287 ALA B O 1 ATOM 2044 C CB . ALA B 1 50 ? -39.218 18.158 4.916 1.00 128.06 ? 287 ALA B CB 1 ATOM 2045 N N . LYS B 1 51 ? -37.570 19.517 7.318 1.00 120.22 ? 288 LYS B N 1 ATOM 2046 C CA . LYS B 1 51 ? -36.608 20.572 7.574 1.00 119.76 ? 288 LYS B CA 1 ATOM 2047 C C . LYS B 1 51 ? -35.244 20.114 7.077 1.00 118.57 ? 288 LYS B C 1 ATOM 2048 O O . LYS B 1 51 ? -34.321 19.892 7.860 1.00 131.17 ? 288 LYS B O 1 ATOM 2049 C CB . LYS B 1 51 ? -36.584 20.957 9.055 1.00 123.88 ? 288 LYS B CB 1 ATOM 2050 C CG . LYS B 1 51 ? -35.687 22.149 9.384 1.00 120.07 ? 288 LYS B CG 1 ATOM 2051 C CD . LYS B 1 51 ? -35.848 23.289 8.382 1.00 95.45 ? 288 LYS B CD 1 ATOM 2052 C CE . LYS B 1 51 ? -34.813 24.373 8.643 1.00 101.41 ? 288 LYS B CE 1 ATOM 2053 N NZ . LYS B 1 51 ? -35.065 25.611 7.852 1.00 84.30 ? 288 LYS B NZ 1 ATOM 2054 N N . THR B 1 52 ? -35.137 19.950 5.762 1.00 99.44 ? 289 THR B N 1 ATOM 2055 C CA . THR B 1 52 ? -33.866 19.621 5.137 1.00 119.98 ? 289 THR B CA 1 ATOM 2056 C C . THR B 1 52 ? -32.895 20.772 5.371 1.00 144.43 ? 289 THR B C 1 ATOM 2057 O O . THR B 1 52 ? -33.000 21.822 4.726 1.00 154.43 ? 289 THR B O 1 ATOM 2058 C CB . THR B 1 52 ? -34.016 19.414 3.621 1.00 107.31 ? 289 THR B CB 1 ATOM 2059 O OG1 . THR B 1 52 ? -34.969 18.379 3.362 1.00 92.57 ? 289 THR B OG1 1 ATOM 2060 C CG2 . THR B 1 52 ? -32.681 19.039 3.001 1.00 78.98 ? 289 THR B CG2 1 ATOM 2061 N N . LYS B 1 53 ? -31.959 20.582 6.297 1.00 139.14 ? 290 LYS B N 1 ATOM 2062 C CA . LYS B 1 53 ? -30.982 21.618 6.609 1.00 125.51 ? 290 LYS B CA 1 ATOM 2063 C C . LYS B 1 53 ? -29.759 21.399 5.735 1.00 132.70 ? 290 LYS B C 1 ATOM 2064 O O . LYS B 1 53 ? -29.520 20.270 5.295 1.00 101.88 ? 290 LYS B O 1 ATOM 2065 C CB . LYS B 1 53 ? -30.619 21.593 8.096 1.00 110.81 ? 290 LYS B CB 1 ATOM 2066 C CG . LYS B 1 53 ? -29.431 20.733 8.471 1.00 92.63 ? 290 LYS B CG 1 ATOM 2067 C CD . LYS B 1 53 ? -29.291 20.740 9.983 1.00 122.28 ? 290 LYS B CD 1 ATOM 2068 C CE . LYS B 1 53 ? -30.630 20.430 10.651 1.00 120.24 ? 290 LYS B CE 1 ATOM 2069 N NZ . LYS B 1 53 ? -30.812 21.065 11.993 1.00 86.37 ? 290 LYS B NZ 1 ATOM 2070 N N . PRO B 1 54 ? -28.990 22.474 5.456 1.00 145.06 ? 291 PRO B N 1 ATOM 2071 C CA . PRO B 1 54 ? -27.807 22.348 4.577 1.00 145.16 ? 291 PRO B CA 1 ATOM 2072 C C . PRO B 1 54 ? -26.806 21.404 5.338 1.00 148.01 ? 291 PRO B C 1 ATOM 2073 O O . PRO B 1 54 ? -26.992 21.496 6.495 1.00 146.47 ? 291 PRO B O 1 ATOM 2074 C CB . PRO B 1 54 ? -27.327 23.804 4.450 1.00 134.81 ? 291 PRO B CB 1 ATOM 2075 C CG . PRO B 1 54 ? -27.864 24.511 5.666 1.00 129.76 ? 291 PRO B CG 1 ATOM 2076 C CD . PRO B 1 54 ? -29.153 23.838 6.005 1.00 133.70 ? 291 PRO B CD 1 ATOM 2077 N N . ARG B 1 55 ? -25.820 20.568 4.981 1.00 137.96 ? 292 ARG B N 1 ATOM 2078 C CA . ARG B 1 55 ? -24.854 20.543 3.911 1.00 130.82 ? 292 ARG B CA 1 ATOM 2079 C C . ARG B 1 55 ? -23.442 20.813 4.505 1.00 112.69 ? 292 ARG B C 1 ATOM 2080 O O . ARG B 1 55 ? -23.098 21.959 4.776 1.00 143.68 ? 292 ARG B O 1 ATOM 2081 C CB . ARG B 1 55 ? -25.260 21.472 2.784 1.00 146.35 ? 292 ARG B CB 1 ATOM 2082 C CG . ARG B 1 55 ? -26.374 20.876 1.940 1.00 132.33 ? 292 ARG B CG 1 ATOM 2083 C CD . ARG B 1 55 ? -25.720 20.362 0.738 1.00 113.15 ? 292 ARG B CD 1 ATOM 2084 N NE . ARG B 1 55 ? -24.280 20.353 0.903 1.00 123.79 ? 292 ARG B NE 1 ATOM 2085 C CZ . ARG B 1 55 ? -23.627 19.216 0.970 1.00 115.97 ? 292 ARG B CZ 1 ATOM 2086 N NH1 . ARG B 1 55 ? -24.361 18.142 0.860 1.00 132.87 ? 292 ARG B NH1 1 ATOM 2087 N NH2 . ARG B 1 55 ? -22.307 19.150 1.128 1.00 131.13 ? 292 ARG B NH2 1 ATOM 2088 N N . GLU B 1 56 ? -22.650 19.762 4.748 1.00 91.17 ? 293 GLU B N 1 ATOM 2089 C CA . GLU B 1 56 ? -21.316 19.932 5.358 1.00 125.61 ? 293 GLU B CA 1 ATOM 2090 C C . GLU B 1 56 ? -20.254 18.929 4.881 1.00 149.26 ? 293 GLU B C 1 ATOM 2091 O O . GLU B 1 56 ? -20.368 17.725 5.121 1.00 172.89 ? 293 GLU B O 1 ATOM 2092 C CB . GLU B 1 56 ? -21.400 19.953 6.902 1.00 103.30 ? 293 GLU B CB 1 ATOM 2093 C CG . GLU B 1 56 ? -20.046 20.172 7.622 1.00 123.36 ? 293 GLU B CG 1 ATOM 2094 C CD . GLU B 1 56 ? -19.697 19.080 8.637 1.00 150.11 ? 293 GLU B CD 1 ATOM 2095 O OE1 . GLU B 1 56 ? -20.348 18.013 8.621 1.00 179.81 ? 293 GLU B OE1 1 ATOM 2096 O OE2 . GLU B 1 56 ? -18.769 19.292 9.453 1.00 118.35 ? 293 GLU B OE2 1 ATOM 2097 N N . GLU B 1 57 ? -19.214 19.457 4.230 1.00 148.72 ? 294 GLU B N 1 ATOM 2098 C CA . GLU B 1 57 ? -18.066 18.686 3.743 1.00 145.78 ? 294 GLU B CA 1 ATOM 2099 C C . GLU B 1 57 ? -17.390 17.902 4.870 1.00 138.58 ? 294 GLU B C 1 ATOM 2100 O O . GLU B 1 57 ? -17.857 17.908 6.008 1.00 148.96 ? 294 GLU B O 1 ATOM 2101 C CB . GLU B 1 57 ? -17.042 19.633 3.106 1.00 168.45 ? 294 GLU B CB 1 ATOM 2102 C CG . GLU B 1 57 ? -17.642 20.936 2.551 1.00 176.71 ? 294 GLU B CG 1 ATOM 2103 C CD . GLU B 1 57 ? -17.048 22.195 3.184 1.00 169.49 ? 294 GLU B CD 1 ATOM 2104 O OE1 . GLU B 1 57 ? -17.818 22.974 3.789 1.00 152.15 ? 294 GLU B OE1 1 ATOM 2105 O OE2 . GLU B 1 57 ? -15.819 22.414 3.064 1.00 169.54 ? 294 GLU B OE2 1 ATOM 2106 N N . GLN B 1 58 ? -16.281 17.236 4.563 1.00 125.70 ? 295 GLN B N 1 ATOM 2107 C CA . GLN B 1 58 ? -15.576 16.444 5.572 1.00 125.93 ? 295 GLN B CA 1 ATOM 2108 C C . GLN B 1 58 ? -14.138 16.137 5.136 1.00 141.64 ? 295 GLN B C 1 ATOM 2109 O O . GLN B 1 58 ? -13.674 16.644 4.113 1.00 141.90 ? 295 GLN B O 1 ATOM 2110 C CB . GLN B 1 58 ? -16.364 15.151 5.889 1.00 111.81 ? 295 GLN B CB 1 ATOM 2111 C CG . GLN B 1 58 ? -15.951 14.383 7.169 1.00 129.71 ? 295 GLN B CG 1 ATOM 2112 C CD . GLN B 1 58 ? -16.755 14.750 8.406 1.00 129.48 ? 295 GLN B CD 1 ATOM 2113 O OE1 . GLN B 1 58 ? -17.926 15.115 8.316 1.00 105.71 ? 295 GLN B OE1 1 ATOM 2114 N NE2 . GLN B 1 58 ? -16.125 14.639 9.574 1.00 130.89 ? 295 GLN B NE2 1 ATOM 2115 N N . TYR B 1 59 ? -13.439 15.330 5.934 1.00 166.88 ? 296 TYR B N 1 ATOM 2116 C CA . TYR B 1 59 ? -12.083 14.881 5.638 1.00 185.30 ? 296 TYR B CA 1 ATOM 2117 C C . TYR B 1 59 ? -12.073 13.396 5.253 1.00 173.99 ? 296 TYR B C 1 ATOM 2118 O O . TYR B 1 59 ? -11.403 12.567 5.881 1.00 135.67 ? 296 TYR B O 1 ATOM 2119 C CB . TYR B 1 59 ? -11.115 15.192 6.796 1.00 191.47 ? 296 TYR B CB 1 ATOM 2120 C CG . TYR B 1 59 ? -11.775 15.453 8.145 1.00 186.24 ? 296 TYR B CG 1 ATOM 2121 C CD1 . TYR B 1 59 ? -11.676 14.527 9.173 1.00 194.74 ? 296 TYR B CD1 1 ATOM 2122 C CD2 . TYR B 1 59 ? -12.477 16.635 8.394 1.00 168.25 ? 296 TYR B CD2 1 ATOM 2123 C CE1 . TYR B 1 59 ? -12.269 14.757 10.406 1.00 188.47 ? 296 TYR B CE1 1 ATOM 2124 C CE2 . TYR B 1 59 ? -13.079 16.872 9.623 1.00 153.55 ? 296 TYR B CE2 1 ATOM 2125 C CZ . TYR B 1 59 ? -12.968 15.926 10.627 1.00 158.92 ? 296 TYR B CZ 1 ATOM 2126 O OH . TYR B 1 59 ? -13.548 16.129 11.860 1.00 131.01 ? 296 TYR B OH 1 ATOM 2127 N N . ASN B 1 60 ? -12.880 13.087 4.237 1.00 199.50 ? 297 ASN B N 1 ATOM 2128 C CA . ASN B 1 60 ? -12.838 11.824 3.503 1.00 192.96 ? 297 ASN B CA 1 ATOM 2129 C C . ASN B 1 60 ? -13.330 12.028 2.047 1.00 167.12 ? 297 ASN B C 1 ATOM 2130 O O . ASN B 1 60 ? -13.279 11.103 1.236 1.00 154.80 ? 297 ASN B O 1 ATOM 2131 C CB . ASN B 1 60 ? -13.580 10.686 4.248 1.00 170.11 ? 297 ASN B CB 1 ATOM 2132 C CG . ASN B 1 60 ? -15.035 11.020 4.559 1.00 185.43 ? 297 ASN B CG 1 ATOM 2133 O OD1 . ASN B 1 60 ? -15.542 12.041 4.103 1.00 167.37 ? 297 ASN B OD1 1 ATOM 2134 N ND2 . ASN B 1 60 ? -15.732 10.131 5.296 1.00 220.83 ? 297 ASN B ND2 1 ATOM 2135 N N . SER B 1 61 ? -13.768 13.263 1.745 1.00 172.56 ? 298 SER B N 1 ATOM 2136 C CA . SER B 1 61 ? -14.170 13.801 0.402 1.00 155.49 ? 298 SER B CA 1 ATOM 2137 C C . SER B 1 61 ? -15.606 13.496 -0.148 1.00 140.44 ? 298 SER B C 1 ATOM 2138 O O . SER B 1 61 ? -15.834 13.492 -1.367 1.00 126.12 ? 298 SER B O 1 ATOM 2139 C CB . SER B 1 61 ? -13.087 13.633 -0.692 1.00 147.56 ? 298 SER B CB 1 ATOM 2140 O OG . SER B 1 61 ? -12.125 12.656 -0.363 1.00 156.25 ? 298 SER B OG 1 ATOM 2141 N N . THR B 1 62 ? -16.552 13.336 0.780 1.00 158.20 ? 299 THR B N 1 ATOM 2142 C CA . THR B 1 62 ? -17.952 12.957 0.600 1.00 179.90 ? 299 THR B CA 1 ATOM 2143 C C . THR B 1 62 ? -18.761 13.880 1.519 1.00 190.20 ? 299 THR B C 1 ATOM 2144 O O . THR B 1 62 ? -18.234 14.279 2.529 1.00 166.45 ? 299 THR B O 1 ATOM 2145 C CB . THR B 1 62 ? -18.169 11.552 1.189 1.00 169.89 ? 299 THR B CB 1 ATOM 2146 O OG1 . THR B 1 62 ? -18.394 11.659 2.606 1.00 175.40 ? 299 THR B OG1 1 ATOM 2147 C CG2 . THR B 1 62 ? -16.946 10.662 0.969 1.00 155.50 ? 299 THR B CG2 1 ATOM 2148 N N . TYR B 1 63 ? -20.008 14.199 1.179 1.00 210.21 ? 300 TYR B N 1 ATOM 2149 C CA . TYR B 1 63 ? -20.809 15.108 1.951 1.00 215.68 ? 300 TYR B CA 1 ATOM 2150 C C . TYR B 1 63 ? -21.544 14.354 2.968 1.00 204.32 ? 300 TYR B C 1 ATOM 2151 O O . TYR B 1 63 ? -21.481 13.135 3.038 1.00 201.52 ? 300 TYR B O 1 ATOM 2152 C CB . TYR B 1 63 ? -21.877 15.895 1.148 1.00 254.10 ? 300 TYR B CB 1 ATOM 2153 C CG . TYR B 1 63 ? -22.054 15.731 -0.380 1.00 255.76 ? 300 TYR B CG 1 ATOM 2154 C CD1 . TYR B 1 63 ? -21.181 14.946 -1.161 1.00 266.90 ? 300 TYR B CD1 1 ATOM 2155 C CD2 . TYR B 1 63 ? -23.086 16.524 -1.059 1.00 246.06 ? 300 TYR B CD2 1 ATOM 2156 C CE1 . TYR B 1 63 ? -21.337 14.970 -2.409 1.00 273.86 ? 300 TYR B CE1 1 ATOM 2157 C CE2 . TYR B 1 63 ? -23.263 16.509 -2.446 1.00 252.66 ? 300 TYR B CE2 1 ATOM 2158 C CZ . TYR B 1 63 ? -22.402 15.659 -3.075 1.00 268.97 ? 300 TYR B CZ 1 ATOM 2159 O OH . TYR B 1 63 ? -22.334 15.474 -4.385 1.00 274.35 ? 300 TYR B OH 1 ATOM 2160 N N . ARG B 1 64 ? -22.444 15.137 3.525 1.00 175.10 ? 301 ARG B N 1 ATOM 2161 C CA . ARG B 1 64 ? -23.349 14.718 4.516 1.00 133.19 ? 301 ARG B CA 1 ATOM 2162 C C . ARG B 1 64 ? -24.456 15.740 4.651 1.00 124.88 ? 301 ARG B C 1 ATOM 2163 O O . ARG B 1 64 ? -24.289 16.770 5.307 1.00 143.57 ? 301 ARG B O 1 ATOM 2164 C CB . ARG B 1 64 ? -22.548 14.626 5.768 1.00 131.09 ? 301 ARG B CB 1 ATOM 2165 C CG . ARG B 1 64 ? -23.319 14.181 6.907 1.00 116.29 ? 301 ARG B CG 1 ATOM 2166 C CD . ARG B 1 64 ? -22.392 14.288 8.035 1.00 135.23 ? 301 ARG B CD 1 ATOM 2167 N NE . ARG B 1 64 ? -22.915 14.992 9.182 1.00 155.05 ? 301 ARG B NE 1 ATOM 2168 C CZ . ARG B 1 64 ? -23.537 16.167 9.164 1.00 163.81 ? 301 ARG B CZ 1 ATOM 2169 N NH1 . ARG B 1 64 ? -23.751 16.845 8.049 1.00 134.54 ? 301 ARG B NH1 1 ATOM 2170 N NH2 . ARG B 1 64 ? -23.968 16.666 10.302 1.00 208.18 ? 301 ARG B NH2 1 ATOM 2171 N N . VAL B 1 65 ? -25.586 15.446 4.020 1.00 113.22 ? 302 VAL B N 1 ATOM 2172 C CA . VAL B 1 65 ? -26.749 16.297 4.149 1.00 117.88 ? 302 VAL B CA 1 ATOM 2173 C C . VAL B 1 65 ? -27.706 15.678 5.162 1.00 124.71 ? 302 VAL B C 1 ATOM 2174 O O . VAL B 1 65 ? -27.814 14.475 5.268 1.00 107.47 ? 302 VAL B O 1 ATOM 2175 C CB . VAL B 1 65 ? -27.415 16.560 2.774 1.00 139.04 ? 302 VAL B CB 1 ATOM 2176 C CG1 . VAL B 1 65 ? -28.371 15.439 2.398 1.00 113.81 ? 302 VAL B CG1 1 ATOM 2177 C CG2 . VAL B 1 65 ? -28.117 17.902 2.762 1.00 158.01 ? 302 VAL B CG2 1 ATOM 2178 N N . VAL B 1 66 ? -28.351 16.521 5.954 1.00 143.80 ? 303 VAL B N 1 ATOM 2179 C CA . VAL B 1 66 ? -29.241 16.051 7.008 1.00 130.83 ? 303 VAL B CA 1 ATOM 2180 C C . VAL B 1 66 ? -30.634 16.656 6.853 1.00 113.08 ? 303 VAL B C 1 ATOM 2181 O O . VAL B 1 66 ? -30.781 17.841 6.516 1.00 125.13 ? 303 VAL B O 1 ATOM 2182 C CB . VAL B 1 66 ? -28.679 16.408 8.410 1.00 102.64 ? 303 VAL B CB 1 ATOM 2183 C CG1 . VAL B 1 66 ? -29.756 16.340 9.476 1.00 104.02 ? 303 VAL B CG1 1 ATOM 2184 C CG2 . VAL B 1 66 ? -27.517 15.498 8.771 1.00 116.04 ? 303 VAL B CG2 1 ATOM 2185 N N . SER B 1 67 ? -31.655 15.834 7.070 1.00 106.05 ? 304 SER B N 1 ATOM 2186 C CA . SER B 1 67 ? -33.001 16.355 7.252 1.00 113.02 ? 304 SER B CA 1 ATOM 2187 C C . SER B 1 67 ? -33.362 16.259 8.694 1.00 100.85 ? 304 SER B C 1 ATOM 2188 O O . SER B 1 67 ? -32.735 15.540 9.458 1.00 110.97 ? 304 SER B O 1 ATOM 2189 C CB . SER B 1 67 ? -34.042 15.552 6.502 1.00 122.45 ? 304 SER B CB 1 ATOM 2190 O OG . SER B 1 67 ? -35.237 16.302 6.332 1.00 120.72 ? 304 SER B OG 1 ATOM 2191 N N . VAL B 1 68 ? -34.406 16.980 9.058 1.00 92.42 ? 305 VAL B N 1 ATOM 2192 C CA . VAL B 1 68 ? -34.945 16.905 10.393 1.00 89.49 ? 305 VAL B CA 1 ATOM 2193 C C . VAL B 1 68 ? -36.450 17.066 10.307 1.00 103.38 ? 305 VAL B C 1 ATOM 2194 O O . VAL B 1 68 ? -36.946 17.964 9.626 1.00 109.20 ? 305 VAL B O 1 ATOM 2195 C CB . VAL B 1 68 ? -34.410 18.024 11.261 1.00 78.43 ? 305 VAL B CB 1 ATOM 2196 C CG1 . VAL B 1 68 ? -35.206 18.086 12.519 1.00 82.34 ? 305 VAL B CG1 1 ATOM 2197 C CG2 . VAL B 1 68 ? -32.927 17.816 11.564 1.00 80.85 ? 305 VAL B CG2 1 ATOM 2198 N N . LEU B 1 69 ? -37.175 16.190 10.991 1.00 94.11 ? 306 LEU B N 1 ATOM 2199 C CA . LEU B 1 69 ? -38.617 16.329 11.100 1.00 86.97 ? 306 LEU B CA 1 ATOM 2200 C C . LEU B 1 69 ? -39.007 16.445 12.563 1.00 88.40 ? 306 LEU B C 1 ATOM 2201 O O . LEU B 1 69 ? -38.485 15.726 13.404 1.00 102.55 ? 306 LEU B O 1 ATOM 2202 C CB . LEU B 1 69 ? -39.321 15.150 10.427 1.00 91.68 ? 306 LEU B CB 1 ATOM 2203 C CG . LEU B 1 69 ? -40.808 14.864 10.674 1.00 105.95 ? 306 LEU B CG 1 ATOM 2204 C CD1 . LEU B 1 69 ? -41.670 16.105 10.667 1.00 92.88 ? 306 LEU B CD1 1 ATOM 2205 C CD2 . LEU B 1 69 ? -41.303 13.901 9.604 1.00 112.31 ? 306 LEU B CD2 1 ATOM 2206 N N . THR B 1 70 ? -39.893 17.385 12.863 1.00 96.08 ? 307 THR B N 1 ATOM 2207 C CA . THR B 1 70 ? -40.421 17.525 14.206 1.00 99.63 ? 307 THR B CA 1 ATOM 2208 C C . THR B 1 70 ? -41.636 16.635 14.330 1.00 86.66 ? 307 THR B C 1 ATOM 2209 O O . THR B 1 70 ? -42.589 16.767 13.563 1.00 101.38 ? 307 THR B O 1 ATOM 2210 C CB . THR B 1 70 ? -40.797 18.986 14.531 1.00 96.54 ? 307 THR B CB 1 ATOM 2211 O OG1 . THR B 1 70 ? -39.615 19.713 14.907 1.00 112.94 ? 307 THR B OG1 1 ATOM 2212 C CG2 . THR B 1 70 ? -41.814 19.047 15.675 1.00 68.06 ? 307 THR B CG2 1 ATOM 2213 N N . VAL B 1 71 ? -41.574 15.716 15.290 1.00 74.87 ? 308 VAL B N 1 ATOM 2214 C CA . VAL B 1 71 ? -42.659 14.779 15.564 1.00 76.37 ? 308 VAL B CA 1 ATOM 2215 C C . VAL B 1 71 ? -43.492 15.305 16.711 1.00 76.62 ? 308 VAL B C 1 ATOM 2216 O O . VAL B 1 71 ? -43.007 16.110 17.516 1.00 89.02 ? 308 VAL B O 1 ATOM 2217 C CB . VAL B 1 71 ? -42.131 13.386 15.969 1.00 70.60 ? 308 VAL B CB 1 ATOM 2218 C CG1 . VAL B 1 71 ? -41.237 12.834 14.897 1.00 77.91 ? 308 VAL B CG1 1 ATOM 2219 C CG2 . VAL B 1 71 ? -41.382 13.474 17.277 1.00 46.54 ? 308 VAL B CG2 1 ATOM 2220 N N . LEU B 1 72 ? -44.742 14.860 16.795 1.00 57.00 ? 309 LEU B N 1 ATOM 2221 C CA . LEU B 1 72 ? -45.575 15.241 17.925 1.00 64.71 ? 309 LEU B CA 1 ATOM 2222 C C . LEU B 1 72 ? -45.313 14.275 19.044 1.00 70.72 ? 309 LEU B C 1 ATOM 2223 O O . LEU B 1 72 ? -45.044 13.126 18.769 1.00 73.09 ? 309 LEU B O 1 ATOM 2224 C CB . LEU B 1 72 ? -47.032 15.161 17.545 1.00 84.51 ? 309 LEU B CB 1 ATOM 2225 C CG . LEU B 1 72 ? -47.307 16.107 16.404 1.00 73.76 ? 309 LEU B CG 1 ATOM 2226 C CD1 . LEU B 1 72 ? -48.795 16.149 16.183 1.00 80.35 ? 309 LEU B CD1 1 ATOM 2227 C CD2 . LEU B 1 72 ? -46.764 17.464 16.767 1.00 52.48 ? 309 LEU B CD2 1 ATOM 2228 N N . HIS B 1 73 ? -45.392 14.729 20.293 1.00 65.13 ? 310 HIS B N 1 ATOM 2229 C CA . HIS B 1 73 ? -44.942 13.926 21.428 1.00 60.15 ? 310 HIS B CA 1 ATOM 2230 C C . HIS B 1 73 ? -45.740 12.648 21.407 1.00 73.42 ? 310 HIS B C 1 ATOM 2231 O O . HIS B 1 73 ? -45.218 11.534 21.585 1.00 75.09 ? 310 HIS B O 1 ATOM 2232 C CB . HIS B 1 73 ? -45.178 14.681 22.730 1.00 53.39 ? 310 HIS B CB 1 ATOM 2233 C CG . HIS B 1 73 ? -44.317 15.910 22.857 1.00 81.87 ? 310 HIS B CG 1 ATOM 2234 N ND1 . HIS B 1 73 ? -44.520 17.031 22.098 1.00 64.92 ? 310 HIS B ND1 1 ATOM 2235 C CD2 . HIS B 1 73 ? -43.225 16.135 23.619 1.00 70.11 ? 310 HIS B CD2 1 ATOM 2236 C CE1 . HIS B 1 73 ? -43.592 17.933 22.408 1.00 72.76 ? 310 HIS B CE1 1 ATOM 2237 N NE2 . HIS B 1 73 ? -42.807 17.417 23.324 1.00 69.62 ? 310 HIS B NE2 1 ATOM 2238 N N . GLN B 1 74 ? -47.021 12.844 21.123 1.00 80.50 ? 311 GLN B N 1 ATOM 2239 C CA . GLN B 1 74 ? -48.031 11.795 21.098 1.00 115.97 ? 311 GLN B CA 1 ATOM 2240 C C . GLN B 1 74 ? -47.878 10.852 19.966 1.00 104.98 ? 311 GLN B C 1 ATOM 2241 O O . GLN B 1 74 ? -48.199 9.678 20.094 1.00 115.19 ? 311 GLN B O 1 ATOM 2242 C CB . GLN B 1 74 ? -49.364 12.437 20.835 1.00 137.66 ? 311 GLN B CB 1 ATOM 2243 C CG . GLN B 1 74 ? -49.750 13.364 21.920 1.00 152.76 ? 311 GLN B CG 1 ATOM 2244 C CD . GLN B 1 74 ? -50.768 12.695 22.826 1.00 183.99 ? 311 GLN B CD 1 ATOM 2245 O OE1 . GLN B 1 74 ? -50.668 12.761 24.055 1.00 191.40 ? 311 GLN B OE1 1 ATOM 2246 N NE2 . GLN B 1 74 ? -51.691 11.976 22.217 1.00 221.27 ? 311 GLN B NE2 1 ATOM 2247 N N . ASP B 1 75 ? -47.538 11.411 18.811 1.00 75.86 ? 312 ASP B N 1 ATOM 2248 C CA . ASP B 1 75 ? -47.418 10.625 17.599 1.00 58.53 ? 312 ASP B CA 1 ATOM 2249 C C . ASP B 1 75 ? -46.350 9.587 17.852 1.00 85.61 ? 312 ASP B C 1 ATOM 2250 O O . ASP B 1 75 ? -46.543 8.403 17.567 1.00 82.68 ? 312 ASP B O 1 ATOM 2251 C CB . ASP B 1 75 ? -46.978 11.513 16.451 1.00 74.13 ? 312 ASP B CB 1 ATOM 2252 C CG . ASP B 1 75 ? -48.132 12.119 15.712 1.00 91.32 ? 312 ASP B CG 1 ATOM 2253 O OD1 . ASP B 1 75 ? -47.870 12.776 14.684 1.00 96.29 ? 312 ASP B OD1 1 ATOM 2254 O OD2 . ASP B 1 75 ? -49.288 11.930 16.145 1.00 110.21 ? 312 ASP B OD2 1 ATOM 2255 N N . TRP B 1 76 ? -45.234 10.042 18.421 1.00 66.36 ? 313 TRP B N 1 ATOM 2256 C CA . TRP B 1 76 ? -44.125 9.172 18.703 1.00 54.07 ? 313 TRP B CA 1 ATOM 2257 C C . TRP B 1 76 ? -44.525 8.187 19.775 1.00 75.05 ? 313 TRP B C 1 ATOM 2258 O O . TRP B 1 76 ? -44.369 6.972 19.609 1.00 70.57 ? 313 TRP B O 1 ATOM 2259 C CB . TRP B 1 76 ? -42.900 9.954 19.178 1.00 69.58 ? 313 TRP B CB 1 ATOM 2260 C CG . TRP B 1 76 ? -41.752 9.030 19.512 1.00 49.16 ? 313 TRP B CG 1 ATOM 2261 C CD1 . TRP B 1 76 ? -41.346 8.628 20.754 1.00 54.72 ? 313 TRP B CD1 1 ATOM 2262 C CD2 . TRP B 1 76 ? -40.895 8.371 18.578 1.00 45.95 ? 313 TRP B CD2 1 ATOM 2263 N NE1 . TRP B 1 76 ? -40.278 7.752 20.645 1.00 56.03 ? 313 TRP B NE1 1 ATOM 2264 C CE2 . TRP B 1 76 ? -39.990 7.582 19.310 1.00 42.22 ? 313 TRP B CE2 1 ATOM 2265 C CE3 . TRP B 1 76 ? -40.804 8.371 17.185 1.00 46.39 ? 313 TRP B CE3 1 ATOM 2266 C CZ2 . TRP B 1 76 ? -39.011 6.821 18.705 1.00 47.59 ? 313 TRP B CZ2 1 ATOM 2267 C CZ3 . TRP B 1 76 ? -39.835 7.611 16.584 1.00 61.93 ? 313 TRP B CZ3 1 ATOM 2268 C CH2 . TRP B 1 76 ? -38.951 6.849 17.338 1.00 52.63 ? 313 TRP B CH2 1 ATOM 2269 N N . LEU B 1 77 ? -45.031 8.710 20.883 1.00 64.36 ? 314 LEU B N 1 ATOM 2270 C CA . LEU B 1 77 ? -45.381 7.859 22.009 1.00 66.13 ? 314 LEU B CA 1 ATOM 2271 C C . LEU B 1 77 ? -46.370 6.748 21.682 1.00 68.80 ? 314 LEU B C 1 ATOM 2272 O O . LEU B 1 77 ? -46.288 5.670 22.260 1.00 84.98 ? 314 LEU B O 1 ATOM 2273 C CB . LEU B 1 77 ? -45.897 8.704 23.158 1.00 49.71 ? 314 LEU B CB 1 ATOM 2274 C CG . LEU B 1 77 ? -44.761 9.396 23.879 1.00 36.75 ? 314 LEU B CG 1 ATOM 2275 C CD1 . LEU B 1 77 ? -45.286 10.229 24.993 1.00 39.87 ? 314 LEU B CD1 1 ATOM 2276 C CD2 . LEU B 1 77 ? -43.871 8.324 24.423 1.00 48.56 ? 314 LEU B CD2 1 ATOM 2277 N N . ASN B 1 78 ? -47.290 7.011 20.754 1.00 79.83 ? 315 ASN B N 1 ATOM 2278 C CA . ASN B 1 78 ? -48.310 6.038 20.348 1.00 65.19 ? 315 ASN B CA 1 ATOM 2279 C C . ASN B 1 78 ? -47.806 5.036 19.311 1.00 71.39 ? 315 ASN B C 1 ATOM 2280 O O . ASN B 1 78 ? -48.583 4.264 18.732 1.00 77.78 ? 315 ASN B O 1 ATOM 2281 C CB . ASN B 1 78 ? -49.536 6.758 19.791 1.00 65.94 ? 315 ASN B CB 1 ATOM 2282 C CG . ASN B 1 78 ? -50.392 7.381 20.877 1.00 94.27 ? 315 ASN B CG 1 ATOM 2283 O OD1 . ASN B 1 78 ? -50.354 6.947 22.038 1.00 72.06 ? 315 ASN B OD1 1 ATOM 2284 N ND2 . ASN B 1 78 ? -51.180 8.399 20.507 1.00 67.42 ? 315 ASN B ND2 1 ATOM 2285 N N . GLY B 1 79 ? -46.506 5.064 19.060 1.00 81.69 ? 316 GLY B N 1 ATOM 2286 C CA . GLY B 1 79 ? -45.890 4.117 18.154 1.00 77.68 ? 316 GLY B CA 1 ATOM 2287 C C . GLY B 1 79 ? -46.058 4.353 16.661 1.00 62.01 ? 316 GLY B C 1 ATOM 2288 O O . GLY B 1 79 ? -45.951 3.404 15.899 1.00 80.46 ? 316 GLY B O 1 ATOM 2289 N N . LYS B 1 80 ? -46.292 5.591 16.224 1.00 67.68 ? 317 LYS B N 1 ATOM 2290 C CA . LYS B 1 80 ? -46.389 5.847 14.787 1.00 80.19 ? 317 LYS B CA 1 ATOM 2291 C C . LYS B 1 80 ? -45.000 5.694 14.174 1.00 70.29 ? 317 LYS B C 1 ATOM 2292 O O . LYS B 1 80 ? -43.996 5.818 14.877 1.00 83.23 ? 317 LYS B O 1 ATOM 2293 C CB . LYS B 1 80 ? -46.993 7.225 14.497 1.00 68.22 ? 317 LYS B CB 1 ATOM 2294 C CG . LYS B 1 80 ? -48.403 7.403 15.062 1.00 87.35 ? 317 LYS B CG 1 ATOM 2295 C CD . LYS B 1 80 ? -49.070 8.699 14.590 1.00 111.42 ? 317 LYS B CD 1 ATOM 2296 C CE . LYS B 1 80 ? -50.411 8.932 15.310 1.00 113.57 ? 317 LYS B CE 1 ATOM 2297 N NZ . LYS B 1 80 ? -51.524 9.331 14.387 1.00 105.58 ? 317 LYS B NZ 1 ATOM 2298 N N . GLU B 1 81 ? -44.937 5.382 12.884 1.00 73.07 ? 318 GLU B N 1 ATOM 2299 C CA . GLU B 1 81 ? -43.648 5.128 12.252 1.00 79.43 ? 318 GLU B CA 1 ATOM 2300 C C . GLU B 1 81 ? -43.267 6.189 11.241 1.00 85.68 ? 318 GLU B C 1 ATOM 2301 O O . GLU B 1 81 ? -44.087 6.605 10.421 1.00 88.73 ? 318 GLU B O 1 ATOM 2302 C CB . GLU B 1 81 ? -43.635 3.782 11.543 1.00 99.25 ? 318 GLU B CB 1 ATOM 2303 C CG . GLU B 1 81 ? -44.746 2.855 11.923 1.00 138.20 ? 318 GLU B CG 1 ATOM 2304 C CD . GLU B 1 81 ? -44.363 1.412 11.684 1.00 153.40 ? 318 GLU B CD 1 ATOM 2305 O OE1 . GLU B 1 81 ? -43.799 1.109 10.605 1.00 156.26 ? 318 GLU B OE1 1 ATOM 2306 O OE2 . GLU B 1 81 ? -44.611 0.586 12.589 1.00 134.20 ? 318 GLU B OE2 1 ATOM 2307 N N . TYR B 1 82 ? -41.994 6.561 11.263 1.00 67.56 ? 319 TYR B N 1 ATOM 2308 C CA . TYR B 1 82 ? -41.498 7.641 10.440 1.00 85.54 ? 319 TYR B CA 1 ATOM 2309 C C . TYR B 1 82 ? -40.595 7.168 9.304 1.00 102.02 ? 319 TYR B C 1 ATOM 2310 O O . TYR B 1 82 ? -39.450 6.768 9.525 1.00 91.34 ? 319 TYR B O 1 ATOM 2311 C CB . TYR B 1 82 ? -40.794 8.642 11.340 1.00 84.72 ? 319 TYR B CB 1 ATOM 2312 C CG . TYR B 1 82 ? -41.732 9.228 12.363 1.00 75.55 ? 319 TYR B CG 1 ATOM 2313 C CD1 . TYR B 1 82 ? -42.400 10.410 12.116 1.00 73.55 ? 319 TYR B CD1 1 ATOM 2314 C CD2 . TYR B 1 82 ? -41.972 8.587 13.561 1.00 90.96 ? 319 TYR B CD2 1 ATOM 2315 C CE1 . TYR B 1 82 ? -43.273 10.948 13.040 1.00 65.45 ? 319 TYR B CE1 1 ATOM 2316 C CE2 . TYR B 1 82 ? -42.837 9.116 14.489 1.00 102.50 ? 319 TYR B CE2 1 ATOM 2317 C CZ . TYR B 1 82 ? -43.482 10.298 14.223 1.00 86.91 ? 319 TYR B CZ 1 ATOM 2318 O OH . TYR B 1 82 ? -44.339 10.825 15.151 1.00 108.97 ? 319 TYR B OH 1 ATOM 2319 N N . LYS B 1 83 ? -41.127 7.221 8.086 1.00 105.03 ? 320 LYS B N 1 ATOM 2320 C CA . LYS B 1 83 ? -40.406 6.749 6.912 1.00 109.12 ? 320 LYS B CA 1 ATOM 2321 C C . LYS B 1 83 ? -39.623 7.878 6.269 1.00 125.16 ? 320 LYS B C 1 ATOM 2322 O O . LYS B 1 83 ? -40.157 8.959 6.014 1.00 134.05 ? 320 LYS B O 1 ATOM 2323 C CB . LYS B 1 83 ? -41.371 6.142 5.887 1.00 101.56 ? 320 LYS B CB 1 ATOM 2324 C CG . LYS B 1 83 ? -40.685 5.355 4.769 1.00 112.16 ? 320 LYS B CG 1 ATOM 2325 C CD . LYS B 1 83 ? -41.573 5.191 3.536 1.00 100.67 ? 320 LYS B CD 1 ATOM 2326 C CE . LYS B 1 83 ? -42.627 4.109 3.715 1.00 110.13 ? 320 LYS B CE 1 ATOM 2327 N NZ . LYS B 1 83 ? -43.661 4.213 2.646 1.00 102.96 ? 320 LYS B NZ 1 ATOM 2328 N N . CYS B 1 84 ? -38.352 7.606 5.996 1.00 113.35 ? 321 CYS B N 1 ATOM 2329 C CA . CYS B 1 84 ? -37.473 8.552 5.312 1.00 112.35 ? 321 CYS B CA 1 ATOM 2330 C C . CYS B 1 84 ? -37.077 8.045 3.917 1.00 126.32 ? 321 CYS B C 1 ATOM 2331 O O . CYS B 1 84 ? -36.386 7.034 3.793 1.00 135.58 ? 321 CYS B O 1 ATOM 2332 C CB . CYS B 1 84 ? -36.229 8.779 6.160 1.00 92.89 ? 321 CYS B CB 1 ATOM 2333 S SG . CYS B 1 84 ? -35.159 10.079 5.582 1.00 156.03 ? 321 CYS B SG 1 ATOM 2334 N N . LYS B 1 85 ? -37.522 8.743 2.873 1.00 117.24 ? 322 LYS B N 1 ATOM 2335 C CA . LYS B 1 85 ? -37.264 8.318 1.491 1.00 102.95 ? 322 LYS B CA 1 ATOM 2336 C C . LYS B 1 85 ? -36.246 9.245 0.812 1.00 124.31 ? 322 LYS B C 1 ATOM 2337 O O . LYS B 1 85 ? -36.536 10.415 0.546 1.00 120.68 ? 322 LYS B O 1 ATOM 2338 C CB . LYS B 1 85 ? -38.577 8.237 0.688 1.00 110.08 ? 322 LYS B CB 1 ATOM 2339 C CG . LYS B 1 85 ? -38.395 7.974 -0.810 1.00 138.38 ? 322 LYS B CG 1 ATOM 2340 C CD . LYS B 1 85 ? -39.723 7.840 -1.544 1.00 151.89 ? 322 LYS B CD 1 ATOM 2341 C CE . LYS B 1 85 ? -39.970 6.358 -1.855 1.00 157.11 ? 322 LYS B CE 1 ATOM 2342 N NZ . LYS B 1 85 ? -41.298 6.038 -2.554 1.00 151.21 ? 322 LYS B NZ 1 ATOM 2343 N N . VAL B 1 86 ? -35.059 8.713 0.526 1.00 138.40 ? 323 VAL B N 1 ATOM 2344 C CA . VAL B 1 86 ? -33.918 9.529 0.103 1.00 137.41 ? 323 VAL B CA 1 ATOM 2345 C C . VAL B 1 86 ? -33.557 9.346 -1.377 1.00 148.98 ? 323 VAL B C 1 ATOM 2346 O O . VAL B 1 86 ? -32.819 8.426 -1.738 1.00 145.96 ? 323 VAL B O 1 ATOM 2347 C CB . VAL B 1 86 ? -32.680 9.189 0.953 1.00 91.44 ? 323 VAL B CB 1 ATOM 2348 C CG1 . VAL B 1 86 ? -31.623 10.242 0.812 1.00 91.32 ? 323 VAL B CG1 1 ATOM 2349 C CG2 . VAL B 1 86 ? -33.070 9.038 2.407 1.00 114.11 ? 323 VAL B CG2 1 ATOM 2350 N N . SER B 1 87 ? -34.063 10.231 -2.232 1.00 154.57 ? 324 SER B N 1 ATOM 2351 C CA . SER B 1 87 ? -33.867 10.100 -3.679 1.00 168.14 ? 324 SER B CA 1 ATOM 2352 C C . SER B 1 87 ? -32.576 10.761 -4.189 1.00 149.09 ? 324 SER B C 1 ATOM 2353 O O . SER B 1 87 ? -32.481 11.977 -4.293 1.00 148.91 ? 324 SER B O 1 ATOM 2354 C CB . SER B 1 87 ? -35.081 10.659 -4.438 1.00 184.60 ? 324 SER B CB 1 ATOM 2355 O OG . SER B 1 87 ? -36.300 10.174 -3.893 1.00 191.53 ? 324 SER B OG 1 ATOM 2356 N N . ASN B 1 88 ? -31.586 9.943 -4.512 1.00 142.01 ? 325 ASN B N 1 ATOM 2357 C CA . ASN B 1 88 ? -30.373 10.409 -5.160 1.00 147.52 ? 325 ASN B CA 1 ATOM 2358 C C . ASN B 1 88 ? -30.201 9.701 -6.507 1.00 165.46 ? 325 ASN B C 1 ATOM 2359 O O . ASN B 1 88 ? -31.032 8.893 -6.909 1.00 163.76 ? 325 ASN B O 1 ATOM 2360 C CB . ASN B 1 88 ? -29.159 10.172 -4.251 1.00 144.14 ? 325 ASN B CB 1 ATOM 2361 C CG . ASN B 1 88 ? -27.849 10.702 -4.852 1.00 155.07 ? 325 ASN B CG 1 ATOM 2362 O OD1 . ASN B 1 88 ? -27.821 11.168 -5.892 1.00 186.13 ? 325 ASN B OD1 1 ATOM 2363 N ND2 . ASN B 1 88 ? -26.834 10.614 -4.188 1.00 148.85 ? 325 ASN B ND2 1 ATOM 2364 N N . LYS B 1 89 ? -29.132 10.031 -7.216 1.00 170.96 ? 326 LYS B N 1 ATOM 2365 C CA . LYS B 1 89 ? -28.909 9.551 -8.561 1.00 165.54 ? 326 LYS B CA 1 ATOM 2366 C C . LYS B 1 89 ? -27.711 8.614 -8.633 1.00 168.78 ? 326 LYS B C 1 ATOM 2367 O O . LYS B 1 89 ? -27.338 8.168 -9.722 1.00 166.20 ? 326 LYS B O 1 ATOM 2368 C CB . LYS B 1 89 ? -28.574 10.732 -9.441 1.00 162.97 ? 326 LYS B CB 1 ATOM 2369 C CG . LYS B 1 89 ? -29.702 11.622 -9.850 1.00 181.11 ? 326 LYS B CG 1 ATOM 2370 C CD . LYS B 1 89 ? -29.272 12.365 -11.076 1.00 211.42 ? 326 LYS B CD 1 ATOM 2371 C CE . LYS B 1 89 ? -29.436 13.883 -10.995 1.00 228.03 ? 326 LYS B CE 1 ATOM 2372 N NZ . LYS B 1 89 ? -30.101 14.466 -9.658 1.00 195.44 ? 326 LYS B NZ 1 ATOM 2373 N N . ALA B 1 90 ? -27.058 8.390 -7.498 1.00 176.43 ? 327 ALA B N 1 ATOM 2374 C CA . ALA B 1 90 ? -26.075 7.339 -7.411 1.00 174.92 ? 327 ALA B CA 1 ATOM 2375 C C . ALA B 1 90 ? -26.827 6.041 -7.141 1.00 179.24 ? 327 ALA B C 1 ATOM 2376 O O . ALA B 1 90 ? -26.287 4.953 -7.333 1.00 187.37 ? 327 ALA B O 1 ATOM 2377 C CB . ALA B 1 90 ? -25.066 7.637 -6.315 1.00 160.41 ? 327 ALA B CB 1 ATOM 2378 N N . LEU B 1 91 ? -28.074 6.156 -6.691 1.00 170.96 ? 328 LEU B N 1 ATOM 2379 C CA . LEU B 1 91 ? -28.905 4.979 -6.459 1.00 162.85 ? 328 LEU B CA 1 ATOM 2380 C C . LEU B 1 91 ? -29.960 4.775 -7.543 1.00 174.73 ? 328 LEU B C 1 ATOM 2381 O O . LEU B 1 91 ? -30.525 5.743 -8.072 1.00 168.52 ? 328 LEU B O 1 ATOM 2382 C CB . LEU B 1 91 ? -29.556 5.038 -5.066 1.00 156.37 ? 328 LEU B CB 1 ATOM 2383 C CG . LEU B 1 91 ? -29.824 6.414 -4.428 1.00 159.57 ? 328 LEU B CG 1 ATOM 2384 C CD1 . LEU B 1 91 ? -31.278 6.794 -4.458 1.00 165.83 ? 328 LEU B CD1 1 ATOM 2385 C CD2 . LEU B 1 91 ? -29.263 6.473 -3.021 1.00 145.89 ? 328 LEU B CD2 1 ATOM 2386 N N . PRO B 1 92 ? -30.207 3.501 -7.885 1.00 184.59 ? 329 PRO B N 1 ATOM 2387 C CA . PRO B 1 92 ? -31.247 3.104 -8.839 1.00 179.77 ? 329 PRO B CA 1 ATOM 2388 C C . PRO B 1 92 ? -32.632 3.342 -8.247 1.00 178.96 ? 329 PRO B C 1 ATOM 2389 O O . PRO B 1 92 ? -33.512 3.884 -8.909 1.00 176.13 ? 329 PRO B O 1 ATOM 2390 C CB . PRO B 1 92 ? -31.000 1.601 -9.021 1.00 165.48 ? 329 PRO B CB 1 ATOM 2391 C CG . PRO B 1 92 ? -30.303 1.169 -7.774 1.00 164.56 ? 329 PRO B CG 1 ATOM 2392 C CD . PRO B 1 92 ? -29.471 2.341 -7.346 1.00 177.46 ? 329 PRO B CD 1 ATOM 2393 N N . ALA B 1 93 ? -32.811 2.941 -6.995 1.00 179.17 ? 330 ALA B N 1 ATOM 2394 C CA . ALA B 1 93 ? -34.059 3.158 -6.279 1.00 181.36 ? 330 ALA B CA 1 ATOM 2395 C C . ALA B 1 93 ? -33.795 4.033 -5.059 1.00 170.27 ? 330 ALA B C 1 ATOM 2396 O O . ALA B 1 93 ? -32.704 3.988 -4.490 1.00 180.48 ? 330 ALA B O 1 ATOM 2397 C CB . ALA B 1 93 ? -34.663 1.826 -5.860 1.00 181.30 ? 330 ALA B CB 1 ATOM 2398 N N . PRO B 1 94 ? -34.796 4.825 -4.642 1.00 146.98 ? 331 PRO B N 1 ATOM 2399 C CA . PRO B 1 94 ? -34.544 5.672 -3.478 1.00 147.92 ? 331 PRO B CA 1 ATOM 2400 C C . PRO B 1 94 ? -34.416 4.794 -2.244 1.00 150.64 ? 331 PRO B C 1 ATOM 2401 O O . PRO B 1 94 ? -35.243 3.901 -2.060 1.00 150.97 ? 331 PRO B O 1 ATOM 2402 C CB . PRO B 1 94 ? -35.806 6.545 -3.387 1.00 138.26 ? 331 PRO B CB 1 ATOM 2403 C CG . PRO B 1 94 ? -36.615 6.242 -4.634 1.00 134.95 ? 331 PRO B CG 1 ATOM 2404 C CD . PRO B 1 94 ? -36.206 4.874 -5.059 1.00 136.68 ? 331 PRO B CD 1 ATOM 2405 N N . ILE B 1 95 ? -33.385 5.014 -1.435 1.00 130.17 ? 332 ILE B N 1 ATOM 2406 C CA . ILE B 1 95 ? -33.206 4.252 -0.194 1.00 120.48 ? 332 ILE B CA 1 ATOM 2407 C C . ILE B 1 95 ? -34.352 4.535 0.795 1.00 106.70 ? 332 ILE B C 1 ATOM 2408 O O . ILE B 1 95 ? -34.955 5.620 0.796 1.00 108.80 ? 332 ILE B O 1 ATOM 2409 C CB . ILE B 1 95 ? -31.887 4.667 0.499 1.00 126.47 ? 332 ILE B CB 1 ATOM 2410 C CG1 . ILE B 1 95 ? -30.635 3.952 -0.029 1.00 155.47 ? 332 ILE B CG1 1 ATOM 2411 C CG2 . ILE B 1 95 ? -32.016 4.831 2.020 1.00 137.27 ? 332 ILE B CG2 1 ATOM 2412 C CD1 . ILE B 1 95 ? -30.358 2.539 0.047 1.00 174.52 ? 332 ILE B CD1 1 ATOM 2413 N N . GLU B 1 96 ? -34.690 3.553 1.617 1.00 86.97 ? 333 GLU B N 1 ATOM 2414 C CA . GLU B 1 96 ? -35.656 3.811 2.672 1.00 88.48 ? 333 GLU B CA 1 ATOM 2415 C C . GLU B 1 96 ? -35.190 3.403 4.082 1.00 88.14 ? 333 GLU B C 1 ATOM 2416 O O . GLU B 1 96 ? -34.368 2.489 4.259 1.00 87.98 ? 333 GLU B O 1 ATOM 2417 C CB . GLU B 1 96 ? -37.009 3.196 2.316 1.00 92.76 ? 333 GLU B CB 1 ATOM 2418 C CG . GLU B 1 96 ? -37.733 3.966 1.226 1.00 120.90 ? 333 GLU B CG 1 ATOM 2419 C CD . GLU B 1 96 ? -39.150 3.475 1.014 1.00 132.38 ? 333 GLU B CD 1 ATOM 2420 O OE1 . GLU B 1 96 ? -40.013 4.282 0.606 1.00 133.38 ? 333 GLU B OE1 1 ATOM 2421 O OE2 . GLU B 1 96 ? -39.408 2.278 1.256 1.00 139.61 ? 333 GLU B OE2 1 ATOM 2422 N N . LYS B 1 97 ? -35.687 4.132 5.077 1.00 81.69 ? 334 LYS B N 1 ATOM 2423 C CA . LYS B 1 97 ? -35.577 3.721 6.481 1.00 97.66 ? 334 LYS B CA 1 ATOM 2424 C C . LYS B 1 97 ? -36.845 4.119 7.260 1.00 94.55 ? 334 LYS B C 1 ATOM 2425 O O . LYS B 1 97 ? -37.328 5.256 7.165 1.00 91.04 ? 334 LYS B O 1 ATOM 2426 C CB . LYS B 1 97 ? -34.329 4.313 7.159 1.00 97.90 ? 334 LYS B CB 1 ATOM 2427 C CG . LYS B 1 97 ? -32.988 3.997 6.504 1.00 72.39 ? 334 LYS B CG 1 ATOM 2428 C CD . LYS B 1 97 ? -32.487 2.614 6.839 1.00 74.29 ? 334 LYS B CD 1 ATOM 2429 C CE . LYS B 1 97 ? -31.218 2.277 6.045 1.00 108.63 ? 334 LYS B CE 1 ATOM 2430 N NZ . LYS B 1 97 ? -31.470 2.243 4.561 1.00 106.70 ? 334 LYS B NZ 1 ATOM 2431 N N . THR B 1 98 ? -37.382 3.165 8.014 1.00 90.68 ? 335 THR B N 1 ATOM 2432 C CA . THR B 1 98 ? -38.522 3.403 8.897 1.00 94.67 ? 335 THR B CA 1 ATOM 2433 C C . THR B 1 98 ? -38.026 3.326 10.341 1.00 91.47 ? 335 THR B C 1 ATOM 2434 O O . THR B 1 98 ? -37.095 2.577 10.645 1.00 95.61 ? 335 THR B O 1 ATOM 2435 C CB . THR B 1 98 ? -39.657 2.374 8.639 1.00 92.93 ? 335 THR B CB 1 ATOM 2436 O OG1 . THR B 1 98 ? -40.191 2.582 7.323 1.00 99.97 ? 335 THR B OG1 1 ATOM 2437 C CG2 . THR B 1 98 ? -40.788 2.491 9.676 1.00 77.77 ? 335 THR B CG2 1 ATOM 2438 N N . ILE B 1 99 ? -38.610 4.132 11.219 1.00 70.96 ? 336 ILE B N 1 ATOM 2439 C CA . ILE B 1 99 ? -38.269 4.083 12.632 1.00 68.82 ? 336 ILE B CA 1 ATOM 2440 C C . ILE B 1 99 ? -39.530 4.329 13.436 1.00 72.41 ? 336 ILE B C 1 ATOM 2441 O O . ILE B 1 99 ? -40.497 4.892 12.913 1.00 88.10 ? 336 ILE B O 1 ATOM 2442 C CB . ILE B 1 99 ? -37.222 5.154 12.999 1.00 89.12 ? 336 ILE B CB 1 ATOM 2443 C CG1 . ILE B 1 99 ? -36.144 4.567 13.917 1.00 103.76 ? 336 ILE B CG1 1 ATOM 2444 C CG2 . ILE B 1 99 ? -37.895 6.394 13.610 1.00 91.04 ? 336 ILE B CG2 1 ATOM 2445 C CD1 . ILE B 1 99 ? -35.586 5.564 14.906 1.00 121.05 ? 336 ILE B CD1 1 ATOM 2446 N N . SER B 1 100 ? -39.526 3.907 14.694 1.00 52.59 ? 337 SER B N 1 ATOM 2447 C CA . SER B 1 100 ? -40.622 4.220 15.597 1.00 67.37 ? 337 SER B CA 1 ATOM 2448 C C . SER B 1 100 ? -40.254 3.769 16.977 1.00 67.43 ? 337 SER B C 1 ATOM 2449 O O . SER B 1 100 ? -39.204 3.172 17.199 1.00 76.85 ? 337 SER B O 1 ATOM 2450 C CB . SER B 1 100 ? -41.912 3.503 15.215 1.00 89.51 ? 337 SER B CB 1 ATOM 2451 O OG . SER B 1 100 ? -41.971 2.233 15.854 1.00 93.85 ? 337 SER B OG 1 ATOM 2452 N N . LYS B 1 101 ? -41.142 4.047 17.908 1.00 55.73 ? 338 LYS B N 1 ATOM 2453 C CA . LYS B 1 101 ? -40.915 3.671 19.274 1.00 53.03 ? 338 LYS B CA 1 ATOM 2454 C C . LYS B 1 101 ? -40.881 2.129 19.358 1.00 66.92 ? 338 LYS B C 1 ATOM 2455 O O . LYS B 1 101 ? -41.168 1.432 18.370 1.00 71.86 ? 338 LYS B O 1 ATOM 2456 C CB . LYS B 1 101 ? -42.035 4.307 20.084 1.00 55.99 ? 338 LYS B CB 1 ATOM 2457 C CG . LYS B 1 101 ? -42.114 3.971 21.534 1.00 45.07 ? 338 LYS B CG 1 ATOM 2458 C CD . LYS B 1 101 ? -43.576 4.052 21.903 1.00 62.42 ? 338 LYS B CD 1 ATOM 2459 C CE . LYS B 1 101 ? -43.843 3.435 23.240 1.00 61.48 ? 338 LYS B CE 1 ATOM 2460 N NZ . LYS B 1 101 ? -42.954 4.063 24.220 1.00 73.56 ? 338 LYS B NZ 1 ATOM 2461 N N . ALA B 1 102 ? -40.491 1.585 20.506 1.00 67.59 ? 339 ALA B N 1 ATOM 2462 C CA . ALA B 1 102 ? -40.464 0.145 20.658 1.00 58.92 ? 339 ALA B CA 1 ATOM 2463 C C . ALA B 1 102 ? -41.827 -0.321 21.105 1.00 86.86 ? 339 ALA B C 1 ATOM 2464 O O . ALA B 1 102 ? -42.394 0.201 22.064 1.00 95.39 ? 339 ALA B O 1 ATOM 2465 C CB . ALA B 1 102 ? -39.416 -0.268 21.650 1.00 60.35 ? 339 ALA B CB 1 ATOM 2466 N N . LYS B 1 103 ? -42.329 -1.329 20.404 1.00 69.94 ? 340 LYS B N 1 ATOM 2467 C CA . LYS B 1 103 ? -43.643 -1.865 20.650 1.00 61.89 ? 340 LYS B CA 1 ATOM 2468 C C . LYS B 1 103 ? -43.622 -2.712 21.933 1.00 83.44 ? 340 LYS B C 1 ATOM 2469 O O . LYS B 1 103 ? -42.559 -3.151 22.367 1.00 78.26 ? 340 LYS B O 1 ATOM 2470 C CB . LYS B 1 103 ? -44.070 -2.630 19.407 1.00 43.20 ? 340 LYS B CB 1 ATOM 2471 C CG . LYS B 1 103 ? -44.157 -1.711 18.165 1.00 79.28 ? 340 LYS B CG 1 ATOM 2472 C CD . LYS B 1 103 ? -45.035 -0.461 18.416 1.00 81.16 ? 340 LYS B CD 1 ATOM 2473 C CE . LYS B 1 103 ? -44.828 0.616 17.343 1.00 74.60 ? 340 LYS B CE 1 ATOM 2474 N NZ . LYS B 1 103 ? -44.826 0.046 15.968 1.00 84.17 ? 340 LYS B NZ 1 ATOM 2475 N N . GLY B 1 104 ? -44.773 -2.874 22.579 1.00 42.98 ? 341 GLY B N 1 ATOM 2476 C CA . GLY B 1 104 ? -44.852 -3.724 23.749 1.00 52.60 ? 341 GLY B CA 1 ATOM 2477 C C . GLY B 1 104 ? -45.214 -2.958 24.993 1.00 38.98 ? 341 GLY B C 1 ATOM 2478 O O . GLY B 1 104 ? -45.121 -1.755 25.009 1.00 36.84 ? 341 GLY B O 1 ATOM 2479 N N . GLN B 1 105 ? -45.591 -3.667 26.043 1.00 45.25 ? 342 GLN B N 1 ATOM 2480 C CA . GLN B 1 105 ? -46.167 -3.027 27.227 1.00 57.09 ? 342 GLN B CA 1 ATOM 2481 C C . GLN B 1 105 ? -45.195 -2.171 27.988 1.00 36.19 ? 342 GLN B C 1 ATOM 2482 O O . GLN B 1 105 ? -44.289 -2.692 28.631 1.00 92.05 ? 342 GLN B O 1 ATOM 2483 C CB . GLN B 1 105 ? -46.737 -4.066 28.197 1.00 78.78 ? 342 GLN B CB 1 ATOM 2484 C CG . GLN B 1 105 ? -48.246 -4.211 28.151 1.00 99.55 ? 342 GLN B CG 1 ATOM 2485 C CD . GLN B 1 105 ? -48.967 -2.977 28.659 1.00 87.76 ? 342 GLN B CD 1 ATOM 2486 O OE1 . GLN B 1 105 ? -48.929 -2.665 29.844 1.00 73.23 ? 342 GLN B OE1 1 ATOM 2487 N NE2 . GLN B 1 105 ? -49.630 -2.270 27.758 1.00 89.44 ? 342 GLN B NE2 1 ATOM 2488 N N . PRO B 1 106 ? -45.398 -0.859 27.964 1.00 41.26 ? 343 PRO B N 1 ATOM 2489 C CA . PRO B 1 106 ? -44.517 -0.023 28.775 1.00 69.53 ? 343 PRO B CA 1 ATOM 2490 C C . PRO B 1 106 ? -44.604 -0.337 30.249 1.00 30.90 ? 343 PRO B C 1 ATOM 2491 O O . PRO B 1 106 ? -45.699 -0.506 30.762 1.00 94.78 ? 343 PRO B O 1 ATOM 2492 C CB . PRO B 1 106 ? -45.052 1.377 28.505 1.00 49.55 ? 343 PRO B CB 1 ATOM 2493 C CG . PRO B 1 106 ? -45.510 1.291 27.104 1.00 61.35 ? 343 PRO B CG 1 ATOM 2494 C CD . PRO B 1 106 ? -46.210 -0.042 27.045 1.00 43.96 ? 343 PRO B CD 1 ATOM 2495 N N . ARG B 1 107 ? -43.460 -0.408 30.911 1.00 47.23 ? 344 ARG B N 1 ATOM 2496 C CA . ARG B 1 107 ? -43.442 -0.760 32.305 1.00 43.42 ? 344 ARG B CA 1 ATOM 2497 C C . ARG B 1 107 ? -42.712 0.241 33.135 1.00 36.73 ? 344 ARG B C 1 ATOM 2498 O O . ARG B 1 107 ? -41.726 0.828 32.724 1.00 49.30 ? 344 ARG B O 1 ATOM 2499 C CB . ARG B 1 107 ? -42.796 -2.109 32.490 1.00 73.53 ? 344 ARG B CB 1 ATOM 2500 C CG . ARG B 1 107 ? -43.511 -3.187 31.777 1.00 93.67 ? 344 ARG B CG 1 ATOM 2501 C CD . ARG B 1 107 ? -43.825 -4.317 32.744 1.00 151.19 ? 344 ARG B CD 1 ATOM 2502 N NE . ARG B 1 107 ? -43.653 -5.560 32.025 1.00 179.48 ? 344 ARG B NE 1 ATOM 2503 C CZ . ARG B 1 107 ? -43.019 -6.626 32.488 1.00 176.67 ? 344 ARG B CZ 1 ATOM 2504 N NH1 . ARG B 1 107 ? -42.536 -6.673 33.726 1.00 168.50 ? 344 ARG B NH1 1 ATOM 2505 N NH2 . ARG B 1 107 ? -42.896 -7.668 31.696 1.00 176.16 ? 344 ARG B NH2 1 ATOM 2506 N N . GLU B 1 108 ? -43.229 0.405 34.329 1.00 40.90 ? 345 GLU B N 1 ATOM 2507 C CA . GLU B 1 108 ? -42.792 1.401 35.261 1.00 50.57 ? 345 GLU B CA 1 ATOM 2508 C C . GLU B 1 108 ? -41.499 0.924 35.887 1.00 60.99 ? 345 GLU B C 1 ATOM 2509 O O . GLU B 1 108 ? -41.453 -0.126 36.515 1.00 60.82 ? 345 GLU B O 1 ATOM 2510 C CB . GLU B 1 108 ? -43.872 1.559 36.333 1.00 47.28 ? 345 GLU B CB 1 ATOM 2511 C CG . GLU B 1 108 ? -43.920 2.869 37.036 1.00 54.60 ? 345 GLU B CG 1 ATOM 2512 C CD . GLU B 1 108 ? -44.917 2.854 38.169 1.00 78.89 ? 345 GLU B CD 1 ATOM 2513 O OE1 . GLU B 1 108 ? -44.691 2.120 39.154 1.00 81.16 ? 345 GLU B OE1 1 ATOM 2514 O OE2 . GLU B 1 108 ? -45.941 3.556 38.054 1.00 108.37 ? 345 GLU B OE2 1 ATOM 2515 N N . PRO B 1 109 ? -40.434 1.706 35.703 1.00 58.24 ? 346 PRO B N 1 ATOM 2516 C CA . PRO B 1 109 ? -39.177 1.592 36.416 1.00 61.78 ? 346 PRO B CA 1 ATOM 2517 C C . PRO B 1 109 ? -39.372 1.732 37.904 1.00 62.79 ? 346 PRO B C 1 ATOM 2518 O O . PRO B 1 109 ? -40.053 2.651 38.378 1.00 41.72 ? 346 PRO B O 1 ATOM 2519 C CB . PRO B 1 109 ? -38.450 2.845 35.966 1.00 54.62 ? 346 PRO B CB 1 ATOM 2520 C CG . PRO B 1 109 ? -39.526 3.764 35.612 1.00 31.62 ? 346 PRO B CG 1 ATOM 2521 C CD . PRO B 1 109 ? -40.398 2.880 34.831 1.00 39.66 ? 346 PRO B CD 1 ATOM 2522 N N . GLN B 1 110 ? -38.729 0.826 38.626 1.00 50.58 ? 347 GLN B N 1 ATOM 2523 C CA . GLN B 1 110 ? -38.611 0.897 40.067 1.00 54.67 ? 347 GLN B CA 1 ATOM 2524 C C . GLN B 1 110 ? -37.273 1.550 40.341 1.00 66.49 ? 347 GLN B C 1 ATOM 2525 O O . GLN B 1 110 ? -36.315 1.363 39.594 1.00 70.29 ? 347 GLN B O 1 ATOM 2526 C CB . GLN B 1 110 ? -38.635 -0.516 40.646 1.00 45.09 ? 347 GLN B CB 1 ATOM 2527 C CG . GLN B 1 110 ? -39.746 -1.368 40.069 1.00 81.11 ? 347 GLN B CG 1 ATOM 2528 C CD . GLN B 1 110 ? -39.564 -2.834 40.359 1.00 96.21 ? 347 GLN B CD 1 ATOM 2529 O OE1 . GLN B 1 110 ? -39.001 -3.214 41.385 1.00 78.51 ? 347 GLN B OE1 1 ATOM 2530 N NE2 . GLN B 1 110 ? -40.037 -3.672 39.450 1.00 93.66 ? 347 GLN B NE2 1 ATOM 2531 N N . VAL B 1 111 ? -37.204 2.323 41.413 1.00 47.96 ? 348 VAL B N 1 ATOM 2532 C CA . VAL B 1 111 ? -36.049 3.173 41.667 1.00 40.24 ? 348 VAL B CA 1 ATOM 2533 C C . VAL B 1 111 ? -35.567 3.029 43.097 1.00 28.96 ? 348 VAL B C 1 ATOM 2534 O O . VAL B 1 111 ? -36.223 3.399 44.036 1.00 43.47 ? 348 VAL B O 1 ATOM 2535 C CB . VAL B 1 111 ? -36.362 4.634 41.291 1.00 41.35 ? 348 VAL B CB 1 ATOM 2536 C CG1 . VAL B 1 111 ? -35.356 5.572 41.834 1.00 31.49 ? 348 VAL B CG1 1 ATOM 2537 C CG2 . VAL B 1 111 ? -36.386 4.760 39.803 1.00 44.97 ? 348 VAL B CG2 1 ATOM 2538 N N . TYR B 1 112 ? -34.401 2.436 43.253 1.00 86.64 ? 349 TYR B N 1 ATOM 2539 C CA . TYR B 1 112 ? -33.883 2.210 44.577 1.00 75.94 ? 349 TYR B CA 1 ATOM 2540 C C . TYR B 1 112 ? -32.553 2.911 44.688 1.00 72.83 ? 349 TYR B C 1 ATOM 2541 O O . TYR B 1 112 ? -31.689 2.800 43.816 1.00 75.10 ? 349 TYR B O 1 ATOM 2542 C CB . TYR B 1 112 ? -33.733 0.714 44.836 1.00 46.86 ? 349 TYR B CB 1 ATOM 2543 C CG . TYR B 1 112 ? -35.000 -0.074 44.619 1.00 56.83 ? 349 TYR B CG 1 ATOM 2544 C CD1 . TYR B 1 112 ? -36.054 0.006 45.519 1.00 66.88 ? 349 TYR B CD1 1 ATOM 2545 C CD2 . TYR B 1 112 ? -35.143 -0.901 43.521 1.00 56.12 ? 349 TYR B CD2 1 ATOM 2546 C CE1 . TYR B 1 112 ? -37.216 -0.716 45.330 1.00 67.77 ? 349 TYR B CE1 1 ATOM 2547 C CE2 . TYR B 1 112 ? -36.301 -1.625 43.319 1.00 62.28 ? 349 TYR B CE2 1 ATOM 2548 C CZ . TYR B 1 112 ? -37.335 -1.532 44.227 1.00 73.73 ? 349 TYR B CZ 1 ATOM 2549 O OH . TYR B 1 112 ? -38.481 -2.263 44.021 1.00 65.15 ? 349 TYR B OH 1 ATOM 2550 N N . THR B 1 113 ? -32.383 3.654 45.761 1.00 42.87 ? 350 THR B N 1 ATOM 2551 C CA . THR B 1 113 ? -31.113 4.298 45.939 1.00 46.41 ? 350 THR B CA 1 ATOM 2552 C C . THR B 1 113 ? -30.297 3.512 46.960 1.00 70.78 ? 350 THR B C 1 ATOM 2553 O O . THR B 1 113 ? -30.822 3.057 47.988 1.00 89.90 ? 350 THR B O 1 ATOM 2554 C CB . THR B 1 113 ? -31.229 5.808 46.232 1.00 57.30 ? 350 THR B CB 1 ATOM 2555 O OG1 . THR B 1 113 ? -31.987 6.010 47.423 1.00 47.02 ? 350 THR B OG1 1 ATOM 2556 C CG2 . THR B 1 113 ? -31.875 6.553 45.022 1.00 41.46 ? 350 THR B CG2 1 ATOM 2557 N N . LEU B 1 114 ? -29.023 3.317 46.626 1.00 77.98 ? 351 LEU B N 1 ATOM 2558 C CA . LEU B 1 114 ? -28.129 2.466 47.389 1.00 63.79 ? 351 LEU B CA 1 ATOM 2559 C C . LEU B 1 114 ? -26.927 3.223 47.885 1.00 73.54 ? 351 LEU B C 1 ATOM 2560 O O . LEU B 1 114 ? -26.090 3.650 47.086 1.00 77.36 ? 351 LEU B O 1 ATOM 2561 C CB . LEU B 1 114 ? -27.649 1.324 46.508 1.00 68.67 ? 351 LEU B CB 1 ATOM 2562 C CG . LEU B 1 114 ? -28.742 0.302 46.221 1.00 68.59 ? 351 LEU B CG 1 ATOM 2563 C CD1 . LEU B 1 114 ? -28.165 -0.744 45.330 1.00 37.15 ? 351 LEU B CD1 1 ATOM 2564 C CD2 . LEU B 1 114 ? -29.268 -0.309 47.515 1.00 57.25 ? 351 LEU B CD2 1 ATOM 2565 N N . PRO B 1 115 ? -26.823 3.361 49.212 1.00 49.20 ? 352 PRO B N 1 ATOM 2566 C CA . PRO B 1 115 ? -25.685 4.010 49.860 1.00 52.94 ? 352 PRO B CA 1 ATOM 2567 C C . PRO B 1 115 ? -24.361 3.274 49.623 1.00 80.40 ? 352 PRO B C 1 ATOM 2568 O O . PRO B 1 115 ? -24.357 2.079 49.328 1.00 80.89 ? 352 PRO B O 1 ATOM 2569 C CB . PRO B 1 115 ? -26.060 3.957 51.341 1.00 44.58 ? 352 PRO B CB 1 ATOM 2570 C CG . PRO B 1 115 ? -26.955 2.822 51.465 1.00 75.98 ? 352 PRO B CG 1 ATOM 2571 C CD . PRO B 1 115 ? -27.741 2.763 50.189 1.00 52.99 ? 352 PRO B CD 1 ATOM 2572 N N . PRO B 1 116 ? -23.241 3.999 49.753 1.00 75.81 ? 353 PRO B N 1 ATOM 2573 C CA . PRO B 1 116 ? -21.861 3.522 49.705 1.00 69.77 ? 353 PRO B CA 1 ATOM 2574 C C . PRO B 1 116 ? -21.642 2.319 50.595 1.00 71.26 ? 353 PRO B C 1 ATOM 2575 O O . PRO B 1 116 ? -22.182 2.266 51.705 1.00 83.88 ? 353 PRO B O 1 ATOM 2576 C CB . PRO B 1 116 ? -21.088 4.670 50.329 1.00 81.11 ? 353 PRO B CB 1 ATOM 2577 C CG . PRO B 1 116 ? -21.884 5.819 50.058 1.00 58.30 ? 353 PRO B CG 1 ATOM 2578 C CD . PRO B 1 116 ? -23.297 5.442 50.004 1.00 70.98 ? 353 PRO B CD 1 ATOM 2579 N N . SER B 1 117 ? -20.835 1.379 50.114 1.00 66.75 ? 354 SER B N 1 ATOM 2580 C CA . SER B 1 117 ? -20.395 0.261 50.924 1.00 80.34 ? 354 SER B CA 1 ATOM 2581 C C . SER B 1 117 ? -19.603 0.848 52.074 1.00 73.32 ? 354 SER B C 1 ATOM 2582 O O . SER B 1 117 ? -18.949 1.865 51.898 1.00 73.82 ? 354 SER B O 1 ATOM 2583 C CB . SER B 1 117 ? -19.520 -0.663 50.088 1.00 64.56 ? 354 SER B CB 1 ATOM 2584 O OG . SER B 1 117 ? -19.165 -1.827 50.809 1.00 92.53 ? 354 SER B OG 1 ATOM 2585 N N . ARG B 1 118 ? -19.696 0.243 53.256 1.00 55.50 ? 355 ARG B N 1 ATOM 2586 C CA . ARG B 1 118 ? -18.838 0.616 54.375 1.00 63.47 ? 355 ARG B CA 1 ATOM 2587 C C . ARG B 1 118 ? -17.375 0.714 53.919 1.00 84.26 ? 355 ARG B C 1 ATOM 2588 O O . ARG B 1 118 ? -16.636 1.622 54.299 1.00 75.07 ? 355 ARG B O 1 ATOM 2589 C CB . ARG B 1 118 ? -18.933 -0.431 55.484 1.00 67.97 ? 355 ARG B CB 1 ATOM 2590 C CG . ARG B 1 118 ? -20.213 -0.437 56.272 1.00 81.75 ? 355 ARG B CG 1 ATOM 2591 C CD . ARG B 1 118 ? -20.149 0.533 57.443 1.00 111.91 ? 355 ARG B CD 1 ATOM 2592 N NE . ARG B 1 118 ? -20.892 0.038 58.604 1.00 132.40 ? 355 ARG B NE 1 ATOM 2593 C CZ . ARG B 1 118 ? -21.025 0.693 59.758 1.00 156.24 ? 355 ARG B CZ 1 ATOM 2594 N NH1 . ARG B 1 118 ? -20.471 1.892 59.926 1.00 160.60 ? 355 ARG B NH1 1 ATOM 2595 N NH2 . ARG B 1 118 ? -21.718 0.146 60.752 1.00 167.28 ? 355 ARG B NH2 1 ATOM 2596 N N . ASP B 1 119 ? -16.970 -0.224 53.071 1.00 77.38 ? 356 ASP B N 1 ATOM 2597 C CA . ASP B 1 119 ? -15.579 -0.362 52.678 1.00 73.67 ? 356 ASP B CA 1 ATOM 2598 C C . ASP B 1 119 ? -15.013 0.789 51.851 1.00 76.12 ? 356 ASP B C 1 ATOM 2599 O O . ASP B 1 119 ? -13.829 0.794 51.522 1.00 103.89 ? 356 ASP B O 1 ATOM 2600 C CB . ASP B 1 119 ? -15.395 -1.692 51.956 1.00 77.70 ? 356 ASP B CB 1 ATOM 2601 C CG . ASP B 1 119 ? -15.542 -2.891 52.898 1.00 108.55 ? 356 ASP B CG 1 ATOM 2602 O OD1 . ASP B 1 119 ? -15.621 -2.679 54.137 1.00 95.24 ? 356 ASP B OD1 1 ATOM 2603 O OD2 . ASP B 1 119 ? -15.571 -4.044 52.396 1.00 109.57 ? 356 ASP B OD2 1 ATOM 2604 N N . GLU B 1 120 ? -15.846 1.764 51.525 1.00 76.59 ? 357 GLU B N 1 ATOM 2605 C CA . GLU B 1 120 ? -15.393 2.849 50.687 1.00 73.93 ? 357 GLU B CA 1 ATOM 2606 C C . GLU B 1 120 ? -15.166 4.058 51.551 1.00 86.51 ? 357 GLU B C 1 ATOM 2607 O O . GLU B 1 120 ? -14.626 5.058 51.094 1.00 91.30 ? 357 GLU B O 1 ATOM 2608 C CB . GLU B 1 120 ? -16.416 3.150 49.592 1.00 71.97 ? 357 GLU B CB 1 ATOM 2609 C CG . GLU B 1 120 ? -15.882 3.966 48.414 1.00 78.12 ? 357 GLU B CG 1 ATOM 2610 C CD . GLU B 1 120 ? -16.921 4.161 47.327 1.00 102.78 ? 357 GLU B CD 1 ATOM 2611 O OE1 . GLU B 1 120 ? -18.126 3.995 47.613 1.00 104.10 ? 357 GLU B OE1 1 ATOM 2612 O OE2 . GLU B 1 120 ? -16.526 4.473 46.186 1.00 94.19 ? 357 GLU B OE2 1 ATOM 2613 N N . LEU B 1 121 ? -15.566 3.964 52.812 1.00 85.50 ? 358 LEU B N 1 ATOM 2614 C CA . LEU B 1 121 ? -15.431 5.108 53.697 1.00 99.54 ? 358 LEU B CA 1 ATOM 2615 C C . LEU B 1 121 ? -13.968 5.415 54.003 1.00 89.87 ? 358 LEU B C 1 ATOM 2616 O O . LEU B 1 121 ? -13.648 6.469 54.557 1.00 109.65 ? 358 LEU B O 1 ATOM 2617 C CB . LEU B 1 121 ? -16.254 4.927 54.976 1.00 115.90 ? 358 LEU B CB 1 ATOM 2618 C CG . LEU B 1 121 ? -17.754 5.250 54.868 1.00 92.68 ? 358 LEU B CG 1 ATOM 2619 C CD1 . LEU B 1 121 ? -18.004 6.490 54.022 1.00 83.49 ? 358 LEU B CD1 1 ATOM 2620 C CD2 . LEU B 1 121 ? -18.527 4.071 54.323 1.00 96.39 ? 358 LEU B CD2 1 ATOM 2621 N N . THR B 1 122 ? -13.080 4.501 53.620 1.00 107.04 ? 359 THR B N 1 ATOM 2622 C CA . THR B 1 122 ? -11.643 4.737 53.743 1.00 118.29 ? 359 THR B CA 1 ATOM 2623 C C . THR B 1 122 ? -11.216 5.898 52.854 1.00 110.73 ? 359 THR B C 1 ATOM 2624 O O . THR B 1 122 ? -10.214 6.572 53.139 1.00 88.17 ? 359 THR B O 1 ATOM 2625 C CB . THR B 1 122 ? -10.797 3.480 53.378 1.00 96.54 ? 359 THR B CB 1 ATOM 2626 O OG1 . THR B 1 122 ? -10.928 3.173 51.979 1.00 93.50 ? 359 THR B OG1 1 ATOM 2627 C CG2 . THR B 1 122 ? -11.218 2.279 54.212 1.00 86.93 ? 359 THR B CG2 1 ATOM 2628 N N . LYS B 1 123 ? -11.981 6.131 51.787 1.00 93.83 ? 360 LYS B N 1 ATOM 2629 C CA . LYS B 1 123 ? -11.605 7.117 50.779 1.00 93.07 ? 360 LYS B CA 1 ATOM 2630 C C . LYS B 1 123 ? -12.088 8.541 51.072 1.00 92.58 ? 360 LYS B C 1 ATOM 2631 O O . LYS B 1 123 ? -12.750 8.802 52.080 1.00 81.59 ? 360 LYS B O 1 ATOM 2632 C CB . LYS B 1 123 ? -12.095 6.685 49.399 1.00 67.06 ? 360 LYS B CB 1 ATOM 2633 C CG . LYS B 1 123 ? -12.253 5.186 49.242 1.00 77.52 ? 360 LYS B CG 1 ATOM 2634 C CD . LYS B 1 123 ? -10.935 4.444 49.140 1.00 73.48 ? 360 LYS B CD 1 ATOM 2635 C CE . LYS B 1 123 ? -10.868 3.728 47.817 1.00 75.99 ? 360 LYS B CE 1 ATOM 2636 N NZ . LYS B 1 123 ? -11.270 4.683 46.738 1.00 79.56 ? 360 LYS B NZ 1 ATOM 2637 N N . ASN B 1 124 ? -11.735 9.461 50.179 1.00 95.54 ? 361 ASN B N 1 ATOM 2638 C CA . ASN B 1 124 ? -12.106 10.862 50.316 1.00 105.39 ? 361 ASN B CA 1 ATOM 2639 C C . ASN B 1 124 ? -13.004 11.273 49.157 1.00 107.37 ? 361 ASN B C 1 ATOM 2640 O O . ASN B 1 124 ? -13.165 12.453 48.852 1.00 97.29 ? 361 ASN B O 1 ATOM 2641 C CB . ASN B 1 124 ? -10.857 11.737 50.377 1.00 115.24 ? 361 ASN B CB 1 ATOM 2642 C CG . ASN B 1 124 ? -9.815 11.331 49.352 1.00 126.21 ? 361 ASN B CG 1 ATOM 2643 O OD1 . ASN B 1 124 ? -10.146 10.865 48.263 1.00 139.79 ? 361 ASN B OD1 1 ATOM 2644 N ND2 . ASN B 1 124 ? -8.547 11.487 49.707 1.00 110.97 ? 361 ASN B ND2 1 ATOM 2645 N N . GLN B 1 125 ? -13.556 10.260 48.501 1.00 113.26 ? 362 GLN B N 1 ATOM 2646 C CA . GLN B 1 125 ? -14.655 10.410 47.556 1.00 70.54 ? 362 GLN B CA 1 ATOM 2647 C C . GLN B 1 125 ? -15.501 9.150 47.655 1.00 94.26 ? 362 GLN B C 1 ATOM 2648 O O . GLN B 1 125 ? -14.967 8.044 47.796 1.00 88.38 ? 362 GLN B O 1 ATOM 2649 C CB . GLN B 1 125 ? -14.137 10.588 46.132 1.00 110.99 ? 362 GLN B CB 1 ATOM 2650 C CG . GLN B 1 125 ? -13.648 11.997 45.815 1.00 117.02 ? 362 GLN B CG 1 ATOM 2651 C CD . GLN B 1 125 ? -13.898 12.378 44.361 1.00 122.94 ? 362 GLN B CD 1 ATOM 2652 O OE1 . GLN B 1 125 ? -13.769 11.539 43.456 1.00 124.57 ? 362 GLN B OE1 1 ATOM 2653 N NE2 . GLN B 1 125 ? -14.267 13.646 44.127 1.00 117.61 ? 362 GLN B NE2 1 ATOM 2654 N N . VAL B 1 126 ? -16.817 9.310 47.566 1.00 108.99 ? 363 VAL B N 1 ATOM 2655 C CA . VAL B 1 126 ? -17.725 8.221 47.887 1.00 77.71 ? 363 VAL B CA 1 ATOM 2656 C C . VAL B 1 126 ? -18.802 7.992 46.815 1.00 79.40 ? 363 VAL B C 1 ATOM 2657 O O . VAL B 1 126 ? -19.187 8.922 46.111 1.00 112.88 ? 363 VAL B O 1 ATOM 2658 C CB . VAL B 1 126 ? -18.297 8.456 49.277 1.00 50.58 ? 363 VAL B CB 1 ATOM 2659 C CG1 . VAL B 1 126 ? -19.768 8.317 49.275 1.00 48.68 ? 363 VAL B CG1 1 ATOM 2660 C CG2 . VAL B 1 126 ? -17.637 7.513 50.276 1.00 56.68 ? 363 VAL B CG2 1 ATOM 2661 N N . SER B 1 127 ? -19.258 6.750 46.673 1.00 55.77 ? 364 SER B N 1 ATOM 2662 C CA . SER B 1 127 ? -20.191 6.388 45.598 1.00 64.88 ? 364 SER B CA 1 ATOM 2663 C C . SER B 1 127 ? -21.637 6.179 46.061 1.00 52.83 ? 364 SER B C 1 ATOM 2664 O O . SER B 1 127 ? -21.917 5.338 46.922 1.00 55.25 ? 364 SER B O 1 ATOM 2665 C CB . SER B 1 127 ? -19.694 5.150 44.833 1.00 63.27 ? 364 SER B CB 1 ATOM 2666 O OG . SER B 1 127 ? -18.373 5.332 44.342 1.00 74.56 ? 364 SER B OG 1 ATOM 2667 N N . LEU B 1 128 ? -22.541 6.970 45.479 1.00 56.65 ? 365 LEU B N 1 ATOM 2668 C CA . LEU B 1 128 ? -23.968 6.844 45.661 1.00 38.33 ? 365 LEU B CA 1 ATOM 2669 C C . LEU B 1 128 ? -24.512 6.100 44.443 1.00 67.03 ? 365 LEU B C 1 ATOM 2670 O O . LEU B 1 128 ? -24.083 6.369 43.319 1.00 55.17 ? 365 LEU B O 1 ATOM 2671 C CB . LEU B 1 128 ? -24.564 8.238 45.753 1.00 60.11 ? 365 LEU B CB 1 ATOM 2672 C CG . LEU B 1 128 ? -24.039 9.022 46.961 1.00 78.35 ? 365 LEU B CG 1 ATOM 2673 C CD1 . LEU B 1 128 ? -24.656 10.424 47.120 1.00 62.33 ? 365 LEU B CD1 1 ATOM 2674 C CD2 . LEU B 1 128 ? -24.241 8.212 48.214 1.00 66.78 ? 365 LEU B CD2 1 ATOM 2675 N N . THR B 1 129 ? -25.430 5.162 44.658 1.00 38.74 ? 366 THR B N 1 ATOM 2676 C CA . THR B 1 129 ? -25.891 4.284 43.591 1.00 35.63 ? 366 THR B CA 1 ATOM 2677 C C . THR B 1 129 ? -27.406 4.374 43.397 1.00 57.91 ? 366 THR B C 1 ATOM 2678 O O . THR B 1 129 ? -28.188 4.335 44.351 1.00 53.29 ? 366 THR B O 1 ATOM 2679 C CB . THR B 1 129 ? -25.486 2.819 43.881 1.00 60.95 ? 366 THR B CB 1 ATOM 2680 O OG1 . THR B 1 129 ? -24.051 2.665 43.753 1.00 57.76 ? 366 THR B OG1 1 ATOM 2681 C CG2 . THR B 1 129 ? -26.207 1.856 42.942 1.00 56.22 ? 366 THR B CG2 1 ATOM 2682 N N . CYS B 1 130 ? -27.827 4.515 42.153 1.00 42.37 ? 367 CYS B N 1 ATOM 2683 C CA . CYS B 1 130 ? -29.237 4.508 41.862 1.00 45.83 ? 367 CYS B CA 1 ATOM 2684 C C . CYS B 1 130 ? -29.494 3.344 40.955 1.00 54.75 ? 367 CYS B C 1 ATOM 2685 O O . CYS B 1 130 ? -29.034 3.337 39.832 1.00 31.15 ? 367 CYS B O 1 ATOM 2686 C CB . CYS B 1 130 ? -29.669 5.797 41.168 1.00 98.46 ? 367 CYS B CB 1 ATOM 2687 S SG . CYS B 1 130 ? -31.474 6.067 41.064 1.00 65.99 ? 367 CYS B SG 1 ATOM 2688 N N . LEU B 1 131 ? -30.226 2.356 41.455 1.00 42.03 ? 368 LEU B N 1 ATOM 2689 C CA . LEU B 1 131 ? -30.621 1.211 40.656 1.00 38.14 ? 368 LEU B CA 1 ATOM 2690 C C . LEU B 1 131 ? -32.033 1.434 40.159 1.00 55.56 ? 368 LEU B C 1 ATOM 2691 O O . LEU B 1 131 ? -32.950 1.614 40.947 1.00 53.53 ? 368 LEU B O 1 ATOM 2692 C CB . LEU B 1 131 ? -30.542 -0.041 41.515 1.00 34.68 ? 368 LEU B CB 1 ATOM 2693 C CG . LEU B 1 131 ? -31.377 -1.265 41.175 1.00 54.54 ? 368 LEU B CG 1 ATOM 2694 C CD1 . LEU B 1 131 ? -30.921 -1.932 39.902 1.00 36.32 ? 368 LEU B CD1 1 ATOM 2695 C CD2 . LEU B 1 131 ? -31.336 -2.237 42.345 1.00 44.96 ? 368 LEU B CD2 1 ATOM 2696 N N . VAL B 1 132 ? -32.171 1.435 38.839 1.00 37.27 ? 369 VAL B N 1 ATOM 2697 C CA . VAL B 1 132 ? -33.435 1.636 38.151 1.00 44.70 ? 369 VAL B CA 1 ATOM 2698 C C . VAL B 1 132 ? -33.815 0.420 37.302 1.00 43.53 ? 369 VAL B C 1 ATOM 2699 O O . VAL B 1 132 ? -33.415 0.323 36.152 1.00 63.91 ? 369 VAL B O 1 ATOM 2700 C CB . VAL B 1 132 ? -33.342 2.892 37.230 1.00 50.62 ? 369 VAL B CB 1 ATOM 2701 C CG1 . VAL B 1 132 ? -34.756 3.296 36.633 1.00 40.27 ? 369 VAL B CG1 1 ATOM 2702 C CG2 . VAL B 1 132 ? -32.671 4.021 37.988 1.00 55.42 ? 369 VAL B CG2 1 ATOM 2703 N N . LYS B 1 133 ? -34.592 -0.496 37.864 1.00 39.52 ? 370 LYS B N 1 ATOM 2704 C CA . LYS B 1 133 ? -34.881 -1.748 37.179 1.00 38.22 ? 370 LYS B CA 1 ATOM 2705 C C . LYS B 1 133 ? -36.341 -1.964 36.853 1.00 63.48 ? 370 LYS B C 1 ATOM 2706 O O . LYS B 1 133 ? -37.245 -1.441 37.502 1.00 62.77 ? 370 LYS B O 1 ATOM 2707 C CB . LYS B 1 133 ? -34.411 -2.929 38.014 1.00 34.30 ? 370 LYS B CB 1 ATOM 2708 C CG . LYS B 1 133 ? -34.984 -2.971 39.409 1.00 53.16 ? 370 LYS B CG 1 ATOM 2709 C CD . LYS B 1 133 ? -34.849 -4.352 40.047 1.00 64.06 ? 370 LYS B CD 1 ATOM 2710 C CE . LYS B 1 133 ? -35.650 -5.414 39.291 1.00 58.00 ? 370 LYS B CE 1 ATOM 2711 N NZ . LYS B 1 133 ? -36.302 -6.335 40.280 1.00 74.54 ? 370 LYS B NZ 1 ATOM 2712 N N . GLY B 1 134 ? -36.575 -2.762 35.832 1.00 47.74 ? 371 GLY B N 1 ATOM 2713 C CA . GLY B 1 134 ? -37.921 -3.223 35.581 1.00 49.00 ? 371 GLY B CA 1 ATOM 2714 C C . GLY B 1 134 ? -38.639 -2.489 34.490 1.00 39.42 ? 371 GLY B C 1 ATOM 2715 O O . GLY B 1 134 ? -39.784 -2.777 34.236 1.00 62.25 ? 371 GLY B O 1 ATOM 2716 N N . PHE B 1 135 ? -37.965 -1.562 33.835 1.00 48.39 ? 372 PHE B N 1 ATOM 2717 C CA . PHE B 1 135 ? -38.613 -0.707 32.868 1.00 37.45 ? 372 PHE B CA 1 ATOM 2718 C C . PHE B 1 135 ? -38.626 -1.240 31.433 1.00 34.33 ? 372 PHE B C 1 ATOM 2719 O O . PHE B 1 135 ? -37.928 -2.169 31.085 1.00 58.68 ? 372 PHE B O 1 ATOM 2720 C CB . PHE B 1 135 ? -38.052 0.741 32.951 1.00 69.27 ? 372 PHE B CB 1 ATOM 2721 C CG . PHE B 1 135 ? -36.563 0.884 32.617 1.00 52.11 ? 372 PHE B CG 1 ATOM 2722 C CD1 . PHE B 1 135 ? -36.131 0.939 31.297 1.00 60.75 ? 372 PHE B CD1 1 ATOM 2723 C CD2 . PHE B 1 135 ? -35.610 1.021 33.623 1.00 65.25 ? 372 PHE B CD2 1 ATOM 2724 C CE1 . PHE B 1 135 ? -34.767 1.098 30.988 1.00 49.45 ? 372 PHE B CE1 1 ATOM 2725 C CE2 . PHE B 1 135 ? -34.258 1.170 33.313 1.00 53.72 ? 372 PHE B CE2 1 ATOM 2726 C CZ . PHE B 1 135 ? -33.845 1.215 31.995 1.00 51.76 ? 372 PHE B CZ 1 ATOM 2727 N N . TYR B 1 136 ? -39.469 -0.627 30.618 1.00 49.70 ? 373 TYR B N 1 ATOM 2728 C CA . TYR B 1 136 ? -39.662 -0.951 29.207 1.00 34.61 ? 373 TYR B CA 1 ATOM 2729 C C . TYR B 1 136 ? -40.569 0.154 28.739 1.00 52.48 ? 373 TYR B C 1 ATOM 2730 O O . TYR B 1 136 ? -41.430 0.565 29.485 1.00 33.00 ? 373 TYR B O 1 ATOM 2731 C CB . TYR B 1 136 ? -40.377 -2.298 28.990 1.00 52.95 ? 373 TYR B CB 1 ATOM 2732 C CG . TYR B 1 136 ? -40.312 -2.723 27.553 1.00 28.42 ? 373 TYR B CG 1 ATOM 2733 C CD1 . TYR B 1 136 ? -39.380 -3.621 27.116 1.00 43.11 ? 373 TYR B CD1 1 ATOM 2734 C CD2 . TYR B 1 136 ? -41.134 -2.171 26.634 1.00 36.53 ? 373 TYR B CD2 1 ATOM 2735 C CE1 . TYR B 1 136 ? -39.296 -3.957 25.808 1.00 30.95 ? 373 TYR B CE1 1 ATOM 2736 C CE2 . TYR B 1 136 ? -41.056 -2.498 25.335 1.00 49.66 ? 373 TYR B CE2 1 ATOM 2737 C CZ . TYR B 1 136 ? -40.148 -3.386 24.922 1.00 30.68 ? 373 TYR B CZ 1 ATOM 2738 O OH . TYR B 1 136 ? -40.109 -3.679 23.589 1.00 63.03 ? 373 TYR B OH 1 ATOM 2739 N N . PRO B 1 137 ? -40.318 0.704 27.550 1.00 37.21 ? 374 PRO B N 1 ATOM 2740 C CA . PRO B 1 137 ? -39.130 0.414 26.737 1.00 62.28 ? 374 PRO B CA 1 ATOM 2741 C C . PRO B 1 137 ? -37.822 0.963 27.354 1.00 74.75 ? 374 PRO B C 1 ATOM 2742 O O . PRO B 1 137 ? -37.857 1.406 28.511 1.00 50.30 ? 374 PRO B O 1 ATOM 2743 C CB . PRO B 1 137 ? -39.465 1.074 25.398 1.00 57.25 ? 374 PRO B CB 1 ATOM 2744 C CG . PRO B 1 137 ? -40.270 2.244 25.786 1.00 45.94 ? 374 PRO B CG 1 ATOM 2745 C CD . PRO B 1 137 ? -41.080 1.832 26.996 1.00 34.74 ? 374 PRO B CD 1 ATOM 2746 N N . SER B 1 138 ? -36.694 0.902 26.642 1.00 52.33 ? 375 SER B N 1 ATOM 2747 C CA . SER B 1 138 ? -35.412 1.237 27.285 1.00 47.85 ? 375 SER B CA 1 ATOM 2748 C C . SER B 1 138 ? -35.019 2.715 27.135 1.00 47.39 ? 375 SER B C 1 ATOM 2749 O O . SER B 1 138 ? -34.012 3.151 27.667 1.00 62.51 ? 375 SER B O 1 ATOM 2750 C CB . SER B 1 138 ? -34.280 0.340 26.792 1.00 37.06 ? 375 SER B CB 1 ATOM 2751 O OG . SER B 1 138 ? -34.180 0.482 25.392 1.00 64.49 ? 375 SER B OG 1 ATOM 2752 N N . ASP B 1 139 ? -35.814 3.487 26.407 1.00 42.81 ? 376 ASP B N 1 ATOM 2753 C CA . ASP B 1 139 ? -35.647 4.922 26.390 1.00 30.71 ? 376 ASP B CA 1 ATOM 2754 C C . ASP B 1 139 ? -36.006 5.415 27.768 1.00 41.58 ? 376 ASP B C 1 ATOM 2755 O O . ASP B 1 139 ? -37.033 5.082 28.271 1.00 54.39 ? 376 ASP B O 1 ATOM 2756 C CB . ASP B 1 139 ? -36.585 5.522 25.388 1.00 47.35 ? 376 ASP B CB 1 ATOM 2757 C CG . ASP B 1 139 ? -36.410 4.944 24.004 1.00 71.43 ? 376 ASP B CG 1 ATOM 2758 O OD1 . ASP B 1 139 ? -36.653 3.729 23.809 1.00 67.79 ? 376 ASP B OD1 1 ATOM 2759 O OD2 . ASP B 1 139 ? -36.065 5.718 23.090 1.00 90.88 ? 376 ASP B OD2 1 ATOM 2760 N N . ILE B 1 140 ? -35.139 6.189 28.390 1.00 46.14 ? 377 ILE B N 1 ATOM 2761 C CA . ILE B 1 140 ? -35.263 6.563 29.794 1.00 35.08 ? 377 ILE B CA 1 ATOM 2762 C C . ILE B 1 140 ? -34.164 7.587 29.994 1.00 58.71 ? 377 ILE B C 1 ATOM 2763 O O . ILE B 1 140 ? -33.291 7.733 29.140 1.00 42.41 ? 377 ILE B O 1 ATOM 2764 C CB . ILE B 1 140 ? -35.025 5.354 30.752 1.00 38.84 ? 377 ILE B CB 1 ATOM 2765 C CG1 . ILE B 1 140 ? -35.536 5.653 32.154 1.00 49.93 ? 377 ILE B CG1 1 ATOM 2766 C CG2 . ILE B 1 140 ? -33.517 4.996 30.817 1.00 43.77 ? 377 ILE B CG2 1 ATOM 2767 C CD1 . ILE B 1 140 ? -35.437 4.488 33.108 1.00 27.23 ? 377 ILE B CD1 1 ATOM 2768 N N . ALA B 1 141 ? -34.200 8.293 31.111 1.00 42.64 ? 378 ALA B N 1 ATOM 2769 C CA . ALA B 1 141 ? -33.284 9.392 31.351 1.00 31.70 ? 378 ALA B CA 1 ATOM 2770 C C . ALA B 1 141 ? -33.095 9.573 32.850 1.00 63.01 ? 378 ALA B C 1 ATOM 2771 O O . ALA B 1 141 ? -34.053 9.765 33.602 1.00 48.22 ? 378 ALA B O 1 ATOM 2772 C CB . ALA B 1 141 ? -33.824 10.665 30.741 1.00 28.87 ? 378 ALA B CB 1 ATOM 2773 N N . VAL B 1 142 ? -31.847 9.499 33.290 1.00 61.95 ? 379 VAL B N 1 ATOM 2774 C CA . VAL B 1 142 ? -31.526 9.537 34.713 1.00 56.89 ? 379 VAL B CA 1 ATOM 2775 C C . VAL B 1 142 ? -30.618 10.721 35.022 1.00 56.23 ? 379 VAL B C 1 ATOM 2776 O O . VAL B 1 142 ? -29.733 11.029 34.237 1.00 60.24 ? 379 VAL B O 1 ATOM 2777 C CB . VAL B 1 142 ? -30.832 8.255 35.121 1.00 41.99 ? 379 VAL B CB 1 ATOM 2778 C CG1 . VAL B 1 142 ? -30.917 8.062 36.619 1.00 43.51 ? 379 VAL B CG1 1 ATOM 2779 C CG2 . VAL B 1 142 ? -31.483 7.108 34.426 1.00 26.22 ? 379 VAL B CG2 1 ATOM 2780 N N . GLU B 1 143 ? -30.864 11.382 36.152 1.00 48.30 ? 380 GLU B N 1 ATOM 2781 C CA . GLU B 1 143 ? -30.095 12.545 36.580 1.00 52.20 ? 380 GLU B CA 1 ATOM 2782 C C . GLU B 1 143 ? -30.036 12.673 38.096 1.00 67.98 ? 380 GLU B C 1 ATOM 2783 O O . GLU B 1 143 ? -30.896 12.177 38.816 1.00 44.22 ? 380 GLU B O 1 ATOM 2784 C CB . GLU B 1 143 ? -30.641 13.825 35.971 1.00 44.21 ? 380 GLU B CB 1 ATOM 2785 C CG . GLU B 1 143 ? -30.403 13.927 34.490 1.00 73.09 ? 380 GLU B CG 1 ATOM 2786 C CD . GLU B 1 143 ? -31.162 15.083 33.835 1.00 108.02 ? 380 GLU B CD 1 ATOM 2787 O OE1 . GLU B 1 143 ? -31.948 15.771 34.537 1.00 96.77 ? 380 GLU B OE1 1 ATOM 2788 O OE2 . GLU B 1 143 ? -30.973 15.291 32.608 1.00 90.18 ? 380 GLU B OE2 1 ATOM 2789 N N . TRP B 1 144 ? -28.987 13.331 38.570 1.00 60.27 ? 381 TRP B N 1 ATOM 2790 C CA . TRP B 1 144 ? -28.709 13.420 39.995 1.00 57.91 ? 381 TRP B CA 1 ATOM 2791 C C . TRP B 1 144 ? -28.766 14.872 40.403 1.00 50.95 ? 381 TRP B C 1 ATOM 2792 O O . TRP B 1 144 ? -28.472 15.762 39.608 1.00 63.69 ? 381 TRP B O 1 ATOM 2793 C CB . TRP B 1 144 ? -27.313 12.879 40.306 1.00 79.41 ? 381 TRP B CB 1 ATOM 2794 C CG . TRP B 1 144 ? -27.216 11.410 40.424 1.00 47.82 ? 381 TRP B CG 1 ATOM 2795 C CD1 . TRP B 1 144 ? -26.818 10.543 39.461 1.00 42.52 ? 381 TRP B CD1 1 ATOM 2796 C CD2 . TRP B 1 144 ? -27.463 10.630 41.590 1.00 41.88 ? 381 TRP B CD2 1 ATOM 2797 N NE1 . TRP B 1 144 ? -26.833 9.256 39.944 1.00 46.06 ? 381 TRP B NE1 1 ATOM 2798 C CE2 . TRP B 1 144 ? -27.222 9.286 41.265 1.00 40.78 ? 381 TRP B CE2 1 ATOM 2799 C CE3 . TRP B 1 144 ? -27.902 10.930 42.886 1.00 58.91 ? 381 TRP B CE3 1 ATOM 2800 C CZ2 . TRP B 1 144 ? -27.403 8.246 42.166 1.00 38.72 ? 381 TRP B CZ2 1 ATOM 2801 C CZ3 . TRP B 1 144 ? -28.074 9.898 43.795 1.00 41.21 ? 381 TRP B CZ3 1 ATOM 2802 C CH2 . TRP B 1 144 ? -27.824 8.574 43.432 1.00 56.38 ? 381 TRP B CH2 1 ATOM 2803 N N . GLU B 1 145 ? -29.111 15.112 41.654 1.00 42.46 ? 382 GLU B N 1 ATOM 2804 C CA . GLU B 1 145 ? -29.104 16.458 42.128 1.00 45.60 ? 382 GLU B CA 1 ATOM 2805 C C . GLU B 1 145 ? -29.126 16.482 43.621 1.00 85.45 ? 382 GLU B C 1 ATOM 2806 O O . GLU B 1 145 ? -29.394 15.471 44.272 1.00 46.80 ? 382 GLU B O 1 ATOM 2807 C CB . GLU B 1 145 ? -30.308 17.173 41.594 1.00 46.02 ? 382 GLU B CB 1 ATOM 2808 C CG . GLU B 1 145 ? -31.602 16.700 42.225 1.00 61.31 ? 382 GLU B CG 1 ATOM 2809 C CD . GLU B 1 145 ? -32.781 17.516 41.761 1.00 109.77 ? 382 GLU B CD 1 ATOM 2810 O OE1 . GLU B 1 145 ? -33.018 17.536 40.535 1.00 107.63 ? 382 GLU B OE1 1 ATOM 2811 O OE2 . GLU B 1 145 ? -33.452 18.144 42.612 1.00 81.83 ? 382 GLU B OE2 1 ATOM 2812 N N . SER B 1 146 ? -28.807 17.649 44.158 1.00 51.11 ? 383 SER B N 1 ATOM 2813 C CA . SER B 1 146 ? -28.937 17.880 45.580 1.00 66.86 ? 383 SER B CA 1 ATOM 2814 C C . SER B 1 146 ? -29.198 19.348 45.909 1.00 70.88 ? 383 SER B C 1 ATOM 2815 O O . SER B 1 146 ? -28.813 20.253 45.173 1.00 58.74 ? 383 SER B O 1 ATOM 2816 C CB . SER B 1 146 ? -27.740 17.342 46.343 1.00 85.10 ? 383 SER B CB 1 ATOM 2817 O OG . SER B 1 146 ? -28.177 16.761 47.557 1.00 95.52 ? 383 SER B OG 1 ATOM 2818 N N . ASN B 1 147 ? -29.890 19.556 47.020 1.00 89.97 ? 384 ASN B N 1 ATOM 2819 C CA . ASN B 1 147 ? -30.349 20.875 47.410 1.00 87.27 ? 384 ASN B CA 1 ATOM 2820 C C . ASN B 1 147 ? -31.007 21.623 46.252 1.00 79.88 ? 384 ASN B C 1 ATOM 2821 O O . ASN B 1 147 ? -30.811 22.827 46.084 1.00 97.65 ? 384 ASN B O 1 ATOM 2822 C CB . ASN B 1 147 ? -29.191 21.693 47.963 1.00 142.59 ? 384 ASN B CB 1 ATOM 2823 C CG . ASN B 1 147 ? -29.653 22.821 48.864 1.00 171.58 ? 384 ASN B CG 1 ATOM 2824 O OD1 . ASN B 1 147 ? -29.776 23.965 48.429 1.00 161.76 ? 384 ASN B OD1 1 ATOM 2825 N ND2 . ASN B 1 147 ? -29.911 22.502 50.130 1.00 189.90 ? 384 ASN B ND2 1 ATOM 2826 N N . GLY B 1 148 ? -31.779 20.910 45.440 1.00 88.92 ? 385 GLY B N 1 ATOM 2827 C CA . GLY B 1 148 ? -32.472 21.536 44.330 1.00 82.73 ? 385 GLY B CA 1 ATOM 2828 C C . GLY B 1 148 ? -31.572 21.864 43.157 1.00 84.91 ? 385 GLY B C 1 ATOM 2829 O O . GLY B 1 148 ? -32.048 22.075 42.040 1.00 72.82 ? 385 GLY B O 1 ATOM 2830 N N . GLN B 1 149 ? -30.265 21.907 43.413 1.00 90.14 ? 386 GLN B N 1 ATOM 2831 C CA . GLN B 1 149 ? -29.263 22.149 42.372 1.00 77.25 ? 386 GLN B CA 1 ATOM 2832 C C . GLN B 1 149 ? -28.798 20.817 41.781 1.00 78.93 ? 386 GLN B C 1 ATOM 2833 O O . GLN B 1 149 ? -28.946 19.773 42.419 1.00 61.17 ? 386 GLN B O 1 ATOM 2834 C CB . GLN B 1 149 ? -28.091 22.968 42.933 1.00 90.33 ? 386 GLN B CB 1 ATOM 2835 C CG . GLN B 1 149 ? -28.240 24.522 42.827 1.00 164.44 ? 386 GLN B CG 1 ATOM 2836 C CD . GLN B 1 149 ? -29.674 25.027 42.582 1.00 150.02 ? 386 GLN B CD 1 ATOM 2837 O OE1 . GLN B 1 149 ? -30.471 24.698 43.237 1.00 118.85 ? 386 GLN B OE1 1 ATOM 2838 N NE2 . GLN B 1 149 ? -29.932 25.743 41.645 1.00 145.89 ? 386 GLN B NE2 1 ATOM 2839 N N . PRO B 1 150 ? -28.258 20.838 40.548 1.00 82.29 ? 387 PRO B N 1 ATOM 2840 C CA . PRO B 1 150 ? -27.827 19.581 39.922 1.00 75.44 ? 387 PRO B CA 1 ATOM 2841 C C . PRO B 1 150 ? -26.420 19.113 40.313 1.00 64.64 ? 387 PRO B C 1 ATOM 2842 O O . PRO B 1 150 ? -25.629 19.882 40.850 1.00 72.89 ? 387 PRO B O 1 ATOM 2843 C CB . PRO B 1 150 ? -27.869 19.899 38.418 1.00 71.80 ? 387 PRO B CB 1 ATOM 2844 C CG . PRO B 1 150 ? -28.003 21.378 38.299 1.00 77.37 ? 387 PRO B CG 1 ATOM 2845 C CD . PRO B 1 150 ? -27.987 21.992 39.676 1.00 59.02 ? 387 PRO B CD 1 ATOM 2846 N N . GLU B 1 151 ? -26.145 17.842 40.049 1.00 87.63 ? 388 GLU B N 1 ATOM 2847 C CA . GLU B 1 151 ? -24.849 17.250 40.279 1.00 54.84 ? 388 GLU B CA 1 ATOM 2848 C C . GLU B 1 151 ? -24.231 16.982 38.921 1.00 63.02 ? 388 GLU B C 1 ATOM 2849 O O . GLU B 1 151 ? -24.935 16.821 37.945 1.00 68.97 ? 388 GLU B O 1 ATOM 2850 C CB . GLU B 1 151 ? -25.021 15.948 41.039 1.00 57.79 ? 388 GLU B CB 1 ATOM 2851 C CG . GLU B 1 151 ? -25.412 16.128 42.472 1.00 51.98 ? 388 GLU B CG 1 ATOM 2852 C CD . GLU B 1 151 ? -24.292 16.664 43.307 1.00 86.45 ? 388 GLU B CD 1 ATOM 2853 O OE1 . GLU B 1 151 ? -24.605 17.298 44.342 1.00 81.60 ? 388 GLU B OE1 1 ATOM 2854 O OE2 . GLU B 1 151 ? -23.108 16.447 42.930 1.00 88.28 ? 388 GLU B OE2 1 ATOM 2855 N N . ASN B 1 152 ? -22.912 16.933 38.830 1.00 94.25 ? 389 ASN B N 1 ATOM 2856 C CA . ASN B 1 152 ? -22.315 16.759 37.509 1.00 110.59 ? 389 ASN B CA 1 ATOM 2857 C C . ASN B 1 152 ? -21.322 15.609 37.448 1.00 107.83 ? 389 ASN B C 1 ATOM 2858 O O . ASN B 1 152 ? -20.927 15.164 36.372 1.00 131.74 ? 389 ASN B O 1 ATOM 2859 C CB . ASN B 1 152 ? -21.695 18.071 37.038 1.00 109.66 ? 389 ASN B CB 1 ATOM 2860 C CG . ASN B 1 152 ? -21.461 19.038 38.180 1.00 113.64 ? 389 ASN B CG 1 ATOM 2861 O OD1 . ASN B 1 152 ? -21.332 18.637 39.341 1.00 92.05 ? 389 ASN B OD1 1 ATOM 2862 N ND2 . ASN B 1 152 ? -21.420 20.324 37.858 1.00 130.27 ? 389 ASN B ND2 1 ATOM 2863 N N . ASN B 1 153 ? -20.936 15.109 38.611 1.00 69.95 ? 390 ASN B N 1 ATOM 2864 C CA . ASN B 1 153 ? -20.070 13.955 38.620 1.00 76.05 ? 390 ASN B CA 1 ATOM 2865 C C . ASN B 1 153 ? -20.820 12.655 38.867 1.00 63.96 ? 390 ASN B C 1 ATOM 2866 O O . ASN B 1 153 ? -20.800 12.087 39.963 1.00 72.05 ? 390 ASN B O 1 ATOM 2867 C CB . ASN B 1 153 ? -18.899 14.104 39.571 1.00 72.40 ? 390 ASN B CB 1 ATOM 2868 C CG . ASN B 1 153 ? -17.819 13.136 39.254 1.00 64.54 ? 390 ASN B CG 1 ATOM 2869 O OD1 . ASN B 1 153 ? -17.913 11.953 39.586 1.00 131.73 ? 390 ASN B OD1 1 ATOM 2870 N ND2 . ASN B 1 153 ? -16.791 13.606 38.572 1.00 73.92 ? 390 ASN B ND2 1 ATOM 2871 N N . TYR B 1 154 ? -21.481 12.199 37.814 1.00 47.10 ? 391 TYR B N 1 ATOM 2872 C CA . TYR B 1 154 ? -22.171 10.930 37.821 1.00 35.63 ? 391 TYR B CA 1 ATOM 2873 C C . TYR B 1 154 ? -22.033 10.383 36.428 1.00 53.87 ? 391 TYR B C 1 ATOM 2874 O O . TYR B 1 154 ? -21.931 11.126 35.455 1.00 44.00 ? 391 TYR B O 1 ATOM 2875 C CB . TYR B 1 154 ? -23.675 11.062 38.210 1.00 45.26 ? 391 TYR B CB 1 ATOM 2876 C CG . TYR B 1 154 ? -24.561 11.747 37.163 1.00 44.67 ? 391 TYR B CG 1 ATOM 2877 C CD1 . TYR B 1 154 ? -24.943 13.074 37.297 1.00 61.53 ? 391 TYR B CD1 1 ATOM 2878 C CD2 . TYR B 1 154 ? -24.992 11.070 36.040 1.00 69.17 ? 391 TYR B CD2 1 ATOM 2879 C CE1 . TYR B 1 154 ? -25.721 13.685 36.343 1.00 74.30 ? 391 TYR B CE1 1 ATOM 2880 C CE2 . TYR B 1 154 ? -25.744 11.685 35.086 1.00 47.76 ? 391 TYR B CE2 1 ATOM 2881 C CZ . TYR B 1 154 ? -26.117 12.977 35.248 1.00 61.73 ? 391 TYR B CZ 1 ATOM 2882 O OH . TYR B 1 154 ? -26.872 13.569 34.286 1.00 44.43 ? 391 TYR B OH 1 ATOM 2883 N N . LYS B 1 155 ? -22.057 9.068 36.338 1.00 50.47 ? 392 LYS B N 1 ATOM 2884 C CA . LYS B 1 155 ? -21.999 8.420 35.063 1.00 52.12 ? 392 LYS B CA 1 ATOM 2885 C C . LYS B 1 155 ? -23.082 7.366 35.100 1.00 60.17 ? 392 LYS B C 1 ATOM 2886 O O . LYS B 1 155 ? -23.486 6.899 36.176 1.00 48.25 ? 392 LYS B O 1 ATOM 2887 C CB . LYS B 1 155 ? -20.601 7.838 34.848 1.00 42.18 ? 392 LYS B CB 1 ATOM 2888 C CG . LYS B 1 155 ? -19.528 8.881 34.439 1.00 63.30 ? 392 LYS B CG 1 ATOM 2889 C CD . LYS B 1 155 ? -19.287 8.917 32.919 1.00 82.27 ? 392 LYS B CD 1 ATOM 2890 C CE . LYS B 1 155 ? -18.333 10.028 32.505 1.00 86.17 ? 392 LYS B CE 1 ATOM 2891 N NZ . LYS B 1 155 ? -18.053 10.109 31.035 1.00 70.69 ? 392 LYS B NZ 1 ATOM 2892 N N . THR B 1 156 ? -23.594 7.024 33.931 1.00 46.73 ? 393 THR B N 1 ATOM 2893 C CA . THR B 1 156 ? -24.669 6.045 33.864 1.00 62.13 ? 393 THR B CA 1 ATOM 2894 C C . THR B 1 156 ? -24.374 4.933 32.843 1.00 28.61 ? 393 THR B C 1 ATOM 2895 O O . THR B 1 156 ? -23.939 5.183 31.732 1.00 40.97 ? 393 THR B O 1 ATOM 2896 C CB . THR B 1 156 ? -26.084 6.733 33.628 1.00 57.16 ? 393 THR B CB 1 ATOM 2897 O OG1 . THR B 1 156 ? -26.454 7.505 34.780 1.00 60.90 ? 393 THR B OG1 1 ATOM 2898 C CG2 . THR B 1 156 ? -27.171 5.702 33.386 1.00 78.94 ? 393 THR B CG2 1 ATOM 2899 N N . THR B 1 157 ? -24.636 3.699 33.249 1.00 36.78 ? 394 THR B N 1 ATOM 2900 C CA . THR B 1 157 ? -24.509 2.528 32.383 1.00 34.54 ? 394 THR B CA 1 ATOM 2901 C C . THR B 1 157 ? -25.619 2.498 31.362 1.00 44.26 ? 394 THR B C 1 ATOM 2902 O O . THR B 1 157 ? -26.701 3.027 31.593 1.00 52.11 ? 394 THR B O 1 ATOM 2903 C CB . THR B 1 157 ? -24.616 1.257 33.205 1.00 33.35 ? 394 THR B CB 1 ATOM 2904 O OG1 . THR B 1 157 ? -25.991 0.998 33.529 1.00 33.20 ? 394 THR B OG1 1 ATOM 2905 C CG2 . THR B 1 157 ? -23.824 1.416 34.501 1.00 55.87 ? 394 THR B CG2 1 ATOM 2906 N N . PRO B 1 158 ? -25.371 1.868 30.219 1.00 42.10 ? 395 PRO B N 1 ATOM 2907 C CA . PRO B 1 158 ? -26.482 1.614 29.301 1.00 48.94 ? 395 PRO B CA 1 ATOM 2908 C C . PRO B 1 158 ? -27.543 0.745 29.964 1.00 54.33 ? 395 PRO B C 1 ATOM 2909 O O . PRO B 1 158 ? -27.271 0.160 31.011 1.00 79.65 ? 395 PRO B O 1 ATOM 2910 C CB . PRO B 1 158 ? -25.811 0.812 28.187 1.00 66.09 ? 395 PRO B CB 1 ATOM 2911 C CG . PRO B 1 158 ? -24.446 1.201 28.210 1.00 27.12 ? 395 PRO B CG 1 ATOM 2912 C CD . PRO B 1 158 ? -24.099 1.432 29.648 1.00 63.64 ? 395 PRO B CD 1 ATOM 2913 N N . PRO B 1 159 ? -28.756 0.711 29.387 1.00 62.26 ? 396 PRO B N 1 ATOM 2914 C CA . PRO B 1 159 ? -29.841 -0.167 29.821 1.00 35.30 ? 396 PRO B CA 1 ATOM 2915 C C . PRO B 1 159 ? -29.474 -1.601 29.424 1.00 70.73 ? 396 PRO B C 1 ATOM 2916 O O . PRO B 1 159 ? -29.043 -1.822 28.284 1.00 47.49 ? 396 PRO B O 1 ATOM 2917 C CB . PRO B 1 159 ? -31.022 0.363 29.002 1.00 54.16 ? 396 PRO B CB 1 ATOM 2918 C CG . PRO B 1 159 ? -30.669 1.789 28.671 1.00 24.70 ? 396 PRO B CG 1 ATOM 2919 C CD . PRO B 1 159 ? -29.229 1.664 28.369 1.00 64.16 ? 396 PRO B CD 1 ATOM 2920 N N . VAL B 1 160 ? -29.617 -2.543 30.354 1.00 54.66 ? 397 VAL B N 1 ATOM 2921 C CA . VAL B 1 160 ? -29.308 -3.943 30.078 1.00 51.85 ? 397 VAL B CA 1 ATOM 2922 C C . VAL B 1 160 ? -30.576 -4.788 30.092 1.00 69.35 ? 397 VAL B C 1 ATOM 2923 O O . VAL B 1 160 ? -31.346 -4.759 31.055 1.00 53.29 ? 397 VAL B O 1 ATOM 2924 C CB . VAL B 1 160 ? -28.372 -4.554 31.120 1.00 53.31 ? 397 VAL B CB 1 ATOM 2925 C CG1 . VAL B 1 160 ? -27.791 -5.837 30.574 1.00 54.20 ? 397 VAL B CG1 1 ATOM 2926 C CG2 . VAL B 1 160 ? -27.276 -3.592 31.507 1.00 53.38 ? 397 VAL B CG2 1 ATOM 2927 N N . LEU B 1 161 ? -30.782 -5.545 29.021 1.00 66.11 ? 398 LEU B N 1 ATOM 2928 C CA . LEU B 1 161 ? -31.904 -6.469 28.956 1.00 47.50 ? 398 LEU B CA 1 ATOM 2929 C C . LEU B 1 161 ? -31.799 -7.451 30.084 1.00 30.65 ? 398 LEU B C 1 ATOM 2930 O O . LEU B 1 161 ? -30.902 -8.293 30.103 1.00 71.28 ? 398 LEU B O 1 ATOM 2931 C CB . LEU B 1 161 ? -31.906 -7.228 27.644 1.00 48.05 ? 398 LEU B CB 1 ATOM 2932 C CG . LEU B 1 161 ? -33.130 -8.068 27.349 1.00 45.08 ? 398 LEU B CG 1 ATOM 2933 C CD1 . LEU B 1 161 ? -34.336 -7.342 27.881 1.00 61.31 ? 398 LEU B CD1 1 ATOM 2934 C CD2 . LEU B 1 161 ? -33.222 -8.159 25.848 1.00 44.79 ? 398 LEU B CD2 1 ATOM 2935 N N . ASP B 1 162 ? -32.722 -7.337 31.025 1.00 56.84 ? 399 ASP B N 1 ATOM 2936 C CA . ASP B 1 162 ? -32.789 -8.271 32.119 1.00 56.59 ? 399 ASP B CA 1 ATOM 2937 C C . ASP B 1 162 ? -33.459 -9.578 31.646 1.00 65.10 ? 399 ASP B C 1 ATOM 2938 O O . ASP B 1 162 ? -33.877 -9.681 30.487 1.00 76.79 ? 399 ASP B O 1 ATOM 2939 C CB . ASP B 1 162 ? -33.481 -7.627 33.293 1.00 27.76 ? 399 ASP B CB 1 ATOM 2940 C CG . ASP B 1 162 ? -33.015 -8.187 34.554 1.00 34.84 ? 399 ASP B CG 1 ATOM 2941 O OD1 . ASP B 1 162 ? -32.702 -9.384 34.526 1.00 54.92 ? 399 ASP B OD1 1 ATOM 2942 O OD2 . ASP B 1 162 ? -32.928 -7.479 35.568 1.00 41.55 ? 399 ASP B OD2 1 ATOM 2943 N N . SER B 1 163 ? -33.514 -10.583 32.508 1.00 45.50 ? 400 SER B N 1 ATOM 2944 C CA . SER B 1 163 ? -34.026 -11.881 32.102 1.00 60.75 ? 400 SER B CA 1 ATOM 2945 C C . SER B 1 163 ? -35.532 -11.906 31.815 1.00 76.18 ? 400 SER B C 1 ATOM 2946 O O . SER B 1 163 ? -35.993 -12.661 30.958 1.00 74.96 ? 400 SER B O 1 ATOM 2947 C CB . SER B 1 163 ? -33.656 -12.916 33.154 1.00 54.67 ? 400 SER B CB 1 ATOM 2948 O OG . SER B 1 163 ? -33.567 -12.299 34.426 1.00 76.75 ? 400 SER B OG 1 ATOM 2949 N N . ASP B 1 164 ? -36.299 -11.076 32.511 1.00 60.12 ? 401 ASP B N 1 ATOM 2950 C CA . ASP B 1 164 ? -37.731 -11.084 32.306 1.00 38.01 ? 401 ASP B CA 1 ATOM 2951 C C . ASP B 1 164 ? -38.206 -10.188 31.164 1.00 51.69 ? 401 ASP B C 1 ATOM 2952 O O . ASP B 1 164 ? -39.374 -9.842 31.114 1.00 71.86 ? 401 ASP B O 1 ATOM 2953 C CB . ASP B 1 164 ? -38.485 -10.766 33.596 1.00 41.49 ? 401 ASP B CB 1 ATOM 2954 C CG . ASP B 1 164 ? -38.296 -9.341 34.064 1.00 72.84 ? 401 ASP B CG 1 ATOM 2955 O OD1 . ASP B 1 164 ? -37.759 -8.486 33.309 1.00 43.12 ? 401 ASP B OD1 1 ATOM 2956 O OD2 . ASP B 1 164 ? -38.713 -9.084 35.213 1.00 88.55 ? 401 ASP B OD2 1 ATOM 2957 N N . GLY B 1 165 ? -37.329 -9.801 30.246 1.00 55.63 ? 402 GLY B N 1 ATOM 2958 C CA . GLY B 1 165 ? -37.720 -8.867 29.195 1.00 43.03 ? 402 GLY B CA 1 ATOM 2959 C C . GLY B 1 165 ? -37.726 -7.376 29.557 1.00 65.32 ? 402 GLY B C 1 ATOM 2960 O O . GLY B 1 165 ? -37.868 -6.507 28.669 1.00 46.98 ? 402 GLY B O 1 ATOM 2961 N N . SER B 1 166 ? -37.589 -7.065 30.851 1.00 40.31 ? 403 SER B N 1 ATOM 2962 C CA . SER B 1 166 ? -37.457 -5.673 31.300 1.00 52.00 ? 403 SER B CA 1 ATOM 2963 C C . SER B 1 166 ? -36.000 -5.190 31.267 1.00 70.77 ? 403 SER B C 1 ATOM 2964 O O . SER B 1 166 ? -35.095 -5.973 30.997 1.00 56.34 ? 403 SER B O 1 ATOM 2965 C CB . SER B 1 166 ? -38.009 -5.512 32.707 1.00 33.02 ? 403 SER B CB 1 ATOM 2966 O OG . SER B 1 166 ? -36.986 -5.642 33.662 1.00 85.90 ? 403 SER B OG 1 ATOM 2967 N N . PHE B 1 167 ? -35.771 -3.903 31.521 1.00 34.90 ? 404 PHE B N 1 ATOM 2968 C CA . PHE B 1 167 ? -34.404 -3.369 31.564 1.00 33.53 ? 404 PHE B CA 1 ATOM 2969 C C . PHE B 1 167 ? -34.038 -2.855 32.935 1.00 66.79 ? 404 PHE B C 1 ATOM 2970 O O . PHE B 1 167 ? -34.906 -2.438 33.710 1.00 47.44 ? 404 PHE B O 1 ATOM 2971 C CB . PHE B 1 167 ? -34.207 -2.250 30.599 1.00 24.67 ? 404 PHE B CB 1 ATOM 2972 C CG . PHE B 1 167 ? -34.301 -2.638 29.174 1.00 48.08 ? 404 PHE B CG 1 ATOM 2973 C CD1 . PHE B 1 167 ? -33.185 -2.765 28.399 1.00 51.37 ? 404 PHE B CD1 1 ATOM 2974 C CD2 . PHE B 1 167 ? -35.506 -2.806 28.579 1.00 34.01 ? 404 PHE B CD2 1 ATOM 2975 C CE1 . PHE B 1 167 ? -33.280 -3.072 27.053 1.00 48.67 ? 404 PHE B CE1 1 ATOM 2976 C CE2 . PHE B 1 167 ? -35.600 -3.114 27.243 1.00 56.26 ? 404 PHE B CE2 1 ATOM 2977 C CZ . PHE B 1 167 ? -34.480 -3.232 26.480 1.00 39.55 ? 404 PHE B CZ 1 ATOM 2978 N N . PHE B 1 168 ? -32.740 -2.910 33.227 1.00 31.22 ? 405 PHE B N 1 ATOM 2979 C CA . PHE B 1 168 ? -32.162 -2.215 34.375 1.00 52.23 ? 405 PHE B CA 1 ATOM 2980 C C . PHE B 1 168 ? -30.990 -1.321 33.927 1.00 54.25 ? 405 PHE B C 1 ATOM 2981 O O . PHE B 1 168 ? -30.461 -1.409 32.806 1.00 35.39 ? 405 PHE B O 1 ATOM 2982 C CB . PHE B 1 168 ? -31.721 -3.183 35.486 1.00 42.32 ? 405 PHE B CB 1 ATOM 2983 C CG . PHE B 1 168 ? -30.553 -4.030 35.105 1.00 62.76 ? 405 PHE B CG 1 ATOM 2984 C CD1 . PHE B 1 168 ? -29.272 -3.677 35.480 1.00 77.59 ? 405 PHE B CD1 1 ATOM 2985 C CD2 . PHE B 1 168 ? -30.728 -5.149 34.345 1.00 74.89 ? 405 PHE B CD2 1 ATOM 2986 C CE1 . PHE B 1 168 ? -28.183 -4.438 35.106 1.00 59.16 ? 405 PHE B CE1 1 ATOM 2987 C CE2 . PHE B 1 168 ? -29.661 -5.913 33.975 1.00 92.81 ? 405 PHE B CE2 1 ATOM 2988 C CZ . PHE B 1 168 ? -28.379 -5.555 34.353 1.00 58.68 ? 405 PHE B CZ 1 ATOM 2989 N N . LEU B 1 169 ? -30.634 -0.408 34.810 1.00 32.40 ? 406 LEU B N 1 ATOM 2990 C CA . LEU B 1 169 ? -29.439 0.370 34.646 1.00 35.10 ? 406 LEU B CA 1 ATOM 2991 C C . LEU B 1 169 ? -29.055 0.837 36.008 1.00 45.91 ? 406 LEU B C 1 ATOM 2992 O O . LEU B 1 169 ? -29.860 0.773 36.937 1.00 65.40 ? 406 LEU B O 1 ATOM 2993 C CB . LEU B 1 169 ? -29.591 1.510 33.649 1.00 23.80 ? 406 LEU B CB 1 ATOM 2994 C CG . LEU B 1 169 ? -30.613 2.637 33.738 1.00 47.56 ? 406 LEU B CG 1 ATOM 2995 C CD1 . LEU B 1 169 ? -30.634 3.391 35.034 1.00 27.45 ? 406 LEU B CD1 1 ATOM 2996 C CD2 . LEU B 1 169 ? -30.390 3.615 32.609 1.00 41.41 ? 406 LEU B CD2 1 ATOM 2997 N N . TYR B 1 170 ? -27.805 1.242 36.148 1.00 55.00 ? 407 TYR B N 1 ATOM 2998 C CA . TYR B 1 170 ? -27.382 1.849 37.379 1.00 56.84 ? 407 TYR B CA 1 ATOM 2999 C C . TYR B 1 170 ? -26.837 3.250 37.120 1.00 59.34 ? 407 TYR B C 1 ATOM 3000 O O . TYR B 1 170 ? -26.348 3.555 36.040 1.00 75.87 ? 407 TYR B O 1 ATOM 3001 C CB . TYR B 1 170 ? -26.297 1.006 37.987 1.00 36.10 ? 407 TYR B CB 1 ATOM 3002 C CG . TYR B 1 170 ? -26.692 -0.224 38.713 1.00 43.93 ? 407 TYR B CG 1 ATOM 3003 C CD1 . TYR B 1 170 ? -26.857 -1.433 38.028 1.00 48.06 ? 407 TYR B CD1 1 ATOM 3004 C CD2 . TYR B 1 170 ? -26.822 -0.215 40.102 1.00 35.96 ? 407 TYR B CD2 1 ATOM 3005 C CE1 . TYR B 1 170 ? -27.178 -2.616 38.700 1.00 32.77 ? 407 TYR B CE1 1 ATOM 3006 C CE2 . TYR B 1 170 ? -27.152 -1.390 40.789 1.00 53.19 ? 407 TYR B CE2 1 ATOM 3007 C CZ . TYR B 1 170 ? -27.322 -2.581 40.076 1.00 49.08 ? 407 TYR B CZ 1 ATOM 3008 O OH . TYR B 1 170 ? -27.616 -3.733 40.747 1.00 34.86 ? 407 TYR B OH 1 ATOM 3009 N N . SER B 1 171 ? -26.921 4.105 38.120 1.00 27.89 ? 408 SER B N 1 ATOM 3010 C CA . SER B 1 171 ? -26.293 5.400 38.016 1.00 44.16 ? 408 SER B CA 1 ATOM 3011 C C . SER B 1 171 ? -25.411 5.555 39.220 1.00 57.37 ? 408 SER B C 1 ATOM 3012 O O . SER B 1 171 ? -25.800 5.202 40.330 1.00 49.20 ? 408 SER B O 1 ATOM 3013 C CB . SER B 1 171 ? -27.343 6.511 37.981 1.00 58.18 ? 408 SER B CB 1 ATOM 3014 O OG . SER B 1 171 ? -26.850 7.633 37.271 1.00 46.93 ? 408 SER B OG 1 ATOM 3015 N N . LYS B 1 172 ? -24.208 6.060 39.006 1.00 37.58 ? 409 LYS B N 1 ATOM 3016 C CA . LYS B 1 172 ? -23.276 6.193 40.098 1.00 36.66 ? 409 LYS B CA 1 ATOM 3017 C C . LYS B 1 172 ? -22.969 7.663 40.229 1.00 57.28 ? 409 LYS B C 1 ATOM 3018 O O . LYS B 1 172 ? -22.697 8.339 39.257 1.00 34.98 ? 409 LYS B O 1 ATOM 3019 C CB . LYS B 1 172 ? -22.024 5.342 39.820 1.00 53.11 ? 409 LYS B CB 1 ATOM 3020 C CG . LYS B 1 172 ? -20.825 5.499 40.762 1.00 40.31 ? 409 LYS B CG 1 ATOM 3021 C CD . LYS B 1 172 ? -19.870 4.424 40.413 1.00 40.51 ? 409 LYS B CD 1 ATOM 3022 C CE . LYS B 1 172 ? -18.429 4.860 40.202 1.00 65.78 ? 409 LYS B CE 1 ATOM 3023 N NZ . LYS B 1 172 ? -17.929 6.271 40.443 1.00 57.07 ? 409 LYS B NZ 1 ATOM 3024 N N . LEU B 1 173 ? -23.079 8.172 41.439 1.00 34.66 ? 410 LEU B N 1 ATOM 3025 C CA . LEU B 1 173 ? -22.825 9.569 41.661 1.00 52.29 ? 410 LEU B CA 1 ATOM 3026 C C . LEU B 1 173 ? -21.689 9.625 42.629 1.00 79.94 ? 410 LEU B C 1 ATOM 3027 O O . LEU B 1 173 ? -21.701 8.938 43.646 1.00 67.06 ? 410 LEU B O 1 ATOM 3028 C CB . LEU B 1 173 ? -24.044 10.278 42.256 1.00 56.65 ? 410 LEU B CB 1 ATOM 3029 C CG . LEU B 1 173 ? -23.740 11.708 42.730 1.00 78.95 ? 410 LEU B CG 1 ATOM 3030 C CD1 . LEU B 1 173 ? -23.794 12.687 41.576 1.00 65.40 ? 410 LEU B CD1 1 ATOM 3031 C CD2 . LEU B 1 173 ? -24.601 12.188 43.901 1.00 42.28 ? 410 LEU B CD2 1 ATOM 3032 N N . THR B 1 174 ? -20.706 10.455 42.314 1.00 62.94 ? 411 THR B N 1 ATOM 3033 C CA . THR B 1 174 ? -19.492 10.485 43.090 1.00 72.97 ? 411 THR B CA 1 ATOM 3034 C C . THR B 1 174 ? -19.338 11.796 43.825 1.00 65.22 ? 411 THR B C 1 ATOM 3035 O O . THR B 1 174 ? -19.027 12.811 43.224 1.00 64.41 ? 411 THR B O 1 ATOM 3036 C CB . THR B 1 174 ? -18.291 10.263 42.193 1.00 67.97 ? 411 THR B CB 1 ATOM 3037 O OG1 . THR B 1 174 ? -18.494 9.070 41.429 1.00 67.74 ? 411 THR B OG1 1 ATOM 3038 C CG2 . THR B 1 174 ? -17.050 10.124 43.028 1.00 79.36 ? 411 THR B CG2 1 ATOM 3039 N N . VAL B 1 175 ? -19.558 11.755 45.132 1.00 63.50 ? 412 VAL B N 1 ATOM 3040 C CA . VAL B 1 175 ? -19.379 12.921 45.988 1.00 66.23 ? 412 VAL B CA 1 ATOM 3041 C C . VAL B 1 175 ? -18.151 12.836 46.908 1.00 66.80 ? 412 VAL B C 1 ATOM 3042 O O . VAL B 1 175 ? -17.649 11.757 47.184 1.00 69.76 ? 412 VAL B O 1 ATOM 3043 C CB . VAL B 1 175 ? -20.591 13.095 46.901 1.00 62.72 ? 412 VAL B CB 1 ATOM 3044 C CG1 . VAL B 1 175 ? -21.786 13.421 46.096 1.00 65.67 ? 412 VAL B CG1 1 ATOM 3045 C CG2 . VAL B 1 175 ? -20.824 11.828 47.692 1.00 63.34 ? 412 VAL B CG2 1 ATOM 3046 N N . ASP B 1 176 ? -17.699 13.983 47.397 1.00 83.66 ? 413 ASP B N 1 ATOM 3047 C CA . ASP B 1 176 ? -16.742 14.009 48.493 1.00 80.26 ? 413 ASP B CA 1 ATOM 3048 C C . ASP B 1 176 ? -17.284 13.262 49.708 1.00 95.94 ? 413 ASP B C 1 ATOM 3049 O O . ASP B 1 176 ? -18.486 13.269 49.976 1.00 101.32 ? 413 ASP B O 1 ATOM 3050 C CB . ASP B 1 176 ? -16.413 15.443 48.885 1.00 106.88 ? 413 ASP B CB 1 ATOM 3051 C CG . ASP B 1 176 ? -15.530 16.124 47.876 1.00 106.59 ? 413 ASP B CG 1 ATOM 3052 O OD1 . ASP B 1 176 ? -14.892 15.391 47.085 1.00 77.61 ? 413 ASP B OD1 1 ATOM 3053 O OD2 . ASP B 1 176 ? -15.463 17.379 47.887 1.00 103.39 ? 413 ASP B OD2 1 ATOM 3054 N N . LYS B 1 177 ? -16.378 12.645 50.458 1.00 92.29 ? 414 LYS B N 1 ATOM 3055 C CA . LYS B 1 177 ? -16.752 11.761 51.553 1.00 86.55 ? 414 LYS B CA 1 ATOM 3056 C C . LYS B 1 177 ? -17.451 12.516 52.682 1.00 84.35 ? 414 LYS B C 1 ATOM 3057 O O . LYS B 1 177 ? -18.290 11.960 53.382 1.00 95.19 ? 414 LYS B O 1 ATOM 3058 C CB . LYS B 1 177 ? -15.515 11.022 52.066 1.00 68.87 ? 414 LYS B CB 1 ATOM 3059 C CG . LYS B 1 177 ? -15.806 9.908 53.042 1.00 88.77 ? 414 LYS B CG 1 ATOM 3060 C CD . LYS B 1 177 ? -15.538 10.331 54.464 1.00 97.85 ? 414 LYS B CD 1 ATOM 3061 C CE . LYS B 1 177 ? -15.548 9.124 55.399 1.00 110.24 ? 414 LYS B CE 1 ATOM 3062 N NZ . LYS B 1 177 ? -14.157 8.644 55.787 1.00 88.16 ? 414 LYS B NZ 1 ATOM 3063 N N . SER B 1 178 ? -17.118 13.787 52.851 1.00 77.73 ? 415 SER B N 1 ATOM 3064 C CA . SER B 1 178 ? -17.719 14.595 53.912 1.00 94.97 ? 415 SER B CA 1 ATOM 3065 C C . SER B 1 178 ? -19.193 14.936 53.664 1.00 115.63 ? 415 SER B C 1 ATOM 3066 O O . SER B 1 178 ? -20.007 14.918 54.590 1.00 117.58 ? 415 SER B O 1 ATOM 3067 C CB . SER B 1 178 ? -16.926 15.887 54.085 1.00 89.69 ? 415 SER B CB 1 ATOM 3068 O OG . SER B 1 178 ? -16.524 16.400 52.824 1.00 111.67 ? 415 SER B OG 1 ATOM 3069 N N . ARG B 1 179 ? -19.529 15.247 52.413 1.00 106.02 ? 416 ARG B N 1 ATOM 3070 C CA . ARG B 1 179 ? -20.873 15.687 52.064 1.00 96.95 ? 416 ARG B CA 1 ATOM 3071 C C . ARG B 1 179 ? -21.885 14.629 52.412 1.00 100.08 ? 416 ARG B C 1 ATOM 3072 O O . ARG B 1 179 ? -23.030 14.923 52.733 1.00 101.24 ? 416 ARG B O 1 ATOM 3073 C CB . ARG B 1 179 ? -20.942 16.033 50.586 1.00 63.91 ? 416 ARG B CB 1 ATOM 3074 C CG . ARG B 1 179 ? -20.511 17.436 50.326 1.00 78.37 ? 416 ARG B CG 1 ATOM 3075 C CD . ARG B 1 179 ? -20.071 17.640 48.915 1.00 92.15 ? 416 ARG B CD 1 ATOM 3076 N NE . ARG B 1 179 ? -21.202 17.949 48.051 1.00 97.73 ? 416 ARG B NE 1 ATOM 3077 C CZ . ARG B 1 179 ? -21.200 17.751 46.738 1.00 114.54 ? 416 ARG B CZ 1 ATOM 3078 N NH1 . ARG B 1 179 ? -20.119 17.233 46.167 1.00 103.13 ? 416 ARG B NH1 1 ATOM 3079 N NH2 . ARG B 1 179 ? -22.270 18.051 46.001 1.00 93.93 ? 416 ARG B NH2 1 ATOM 3080 N N . TRP B 1 180 ? -21.441 13.386 52.354 1.00 92.48 ? 417 TRP B N 1 ATOM 3081 C CA . TRP B 1 180 ? -22.289 12.270 52.718 1.00 86.92 ? 417 TRP B CA 1 ATOM 3082 C C . TRP B 1 180 ? -22.319 12.143 54.225 1.00 82.50 ? 417 TRP B C 1 ATOM 3083 O O . TRP B 1 180 ? -23.385 12.092 54.836 1.00 100.39 ? 417 TRP B O 1 ATOM 3084 C CB . TRP B 1 180 ? -21.786 10.971 52.075 1.00 73.12 ? 417 TRP B CB 1 ATOM 3085 C CG . TRP B 1 180 ? -22.475 9.781 52.590 1.00 74.66 ? 417 TRP B CG 1 ATOM 3086 C CD1 . TRP B 1 180 ? -22.010 8.908 53.523 1.00 96.03 ? 417 TRP B CD1 1 ATOM 3087 C CD2 . TRP B 1 180 ? -23.771 9.324 52.222 1.00 89.65 ? 417 TRP B CD2 1 ATOM 3088 N NE1 . TRP B 1 180 ? -22.937 7.927 53.758 1.00 112.04 ? 417 TRP B NE1 1 ATOM 3089 C CE2 . TRP B 1 180 ? -24.038 8.162 52.967 1.00 115.01 ? 417 TRP B CE2 1 ATOM 3090 C CE3 . TRP B 1 180 ? -24.744 9.784 51.328 1.00 68.26 ? 417 TRP B CE3 1 ATOM 3091 C CZ2 . TRP B 1 180 ? -25.224 7.450 52.853 1.00 137.78 ? 417 TRP B CZ2 1 ATOM 3092 C CZ3 . TRP B 1 180 ? -25.923 9.080 51.214 1.00 100.06 ? 417 TRP B CZ3 1 ATOM 3093 C CH2 . TRP B 1 180 ? -26.155 7.924 51.970 1.00 132.40 ? 417 TRP B CH2 1 ATOM 3094 N N . GLN B 1 181 ? -21.127 12.132 54.812 1.00 96.45 ? 418 GLN B N 1 ATOM 3095 C CA . GLN B 1 181 ? -20.938 11.871 56.239 1.00 104.27 ? 418 GLN B CA 1 ATOM 3096 C C . GLN B 1 181 ? -21.758 12.794 57.108 1.00 104.67 ? 418 GLN B C 1 ATOM 3097 O O . GLN B 1 181 ? -22.114 12.439 58.231 1.00 104.19 ? 418 GLN B O 1 ATOM 3098 C CB . GLN B 1 181 ? -19.451 11.966 56.620 1.00 79.60 ? 418 GLN B CB 1 ATOM 3099 C CG . GLN B 1 181 ? -18.781 10.618 56.860 1.00 100.62 ? 418 GLN B CG 1 ATOM 3100 C CD . GLN B 1 181 ? -19.570 9.753 57.823 1.00 128.45 ? 418 GLN B CD 1 ATOM 3101 O OE1 . GLN B 1 181 ? -19.879 10.172 58.942 1.00 138.68 ? 418 GLN B OE1 1 ATOM 3102 N NE2 . GLN B 1 181 ? -19.919 8.545 57.386 1.00 104.21 ? 418 GLN B NE2 1 ATOM 3103 N N . GLN B 1 182 ? -22.063 13.983 56.578 1.00 102.58 ? 419 GLN B N 1 ATOM 3104 C CA . GLN B 1 182 ? -22.819 14.983 57.358 1.00 131.25 ? 419 GLN B CA 1 ATOM 3105 C C . GLN B 1 182 ? -24.300 14.657 57.341 1.00 133.46 ? 419 GLN B C 1 ATOM 3106 O O . GLN B 1 182 ? -24.927 14.580 58.397 1.00 124.97 ? 419 GLN B O 1 ATOM 3107 C CB . GLN B 1 182 ? -22.801 16.406 56.824 1.00 144.11 ? 419 GLN B CB 1 ATOM 3108 C CG . GLN B 1 182 ? -21.646 16.963 56.377 1.00 149.77 ? 419 GLN B CG 1 ATOM 3109 C CD . GLN B 1 182 ? -21.736 18.453 56.108 1.00 153.05 ? 419 GLN B CD 1 ATOM 3110 O OE1 . GLN B 1 182 ? -22.027 18.885 54.945 1.00 163.30 ? 419 GLN B OE1 1 ATOM 3111 N NE2 . GLN B 1 182 ? -21.363 19.255 57.119 1.00 177.53 ? 419 GLN B NE2 1 ATOM 3112 N N . GLY B 1 183 ? -24.882 14.545 56.144 1.00 121.45 ? 420 GLY B N 1 ATOM 3113 C CA . GLY B 1 183 ? -26.290 14.204 56.029 1.00 127.62 ? 420 GLY B CA 1 ATOM 3114 C C . GLY B 1 183 ? -27.037 14.867 54.891 1.00 123.12 ? 420 GLY B C 1 ATOM 3115 O O . GLY B 1 183 ? -28.267 14.850 54.887 1.00 90.31 ? 420 GLY B O 1 ATOM 3116 N N . ASN B 1 184 ? -26.310 15.448 53.937 1.00 120.68 ? 421 ASN B N 1 ATOM 3117 C CA . ASN B 1 184 ? -26.945 16.000 52.742 1.00 86.96 ? 421 ASN B CA 1 ATOM 3118 C C . ASN B 1 184 ? -27.842 14.960 52.087 1.00 87.40 ? 421 ASN B C 1 ATOM 3119 O O . ASN B 1 184 ? -27.411 13.820 51.844 1.00 102.65 ? 421 ASN B O 1 ATOM 3120 C CB . ASN B 1 184 ? -25.906 16.441 51.701 1.00 92.81 ? 421 ASN B CB 1 ATOM 3121 C CG . ASN B 1 184 ? -25.142 17.683 52.108 1.00 105.68 ? 421 ASN B CG 1 ATOM 3122 O OD1 . ASN B 1 184 ? -24.617 17.775 53.215 1.00 95.84 ? 421 ASN B OD1 1 ATOM 3123 N ND2 . ASN B 1 184 ? -25.064 18.643 51.198 1.00 89.36 ? 421 ASN B ND2 1 ATOM 3124 N N . VAL B 1 185 ? -29.075 15.335 51.797 1.00 62.06 ? 422 VAL B N 1 ATOM 3125 C CA . VAL B 1 185 ? -29.886 14.495 50.942 1.00 88.07 ? 422 VAL B CA 1 ATOM 3126 C C . VAL B 1 185 ? -29.445 14.692 49.482 1.00 69.86 ? 422 VAL B C 1 ATOM 3127 O O . VAL B 1 185 ? -29.116 15.799 49.065 1.00 63.39 ? 422 VAL B O 1 ATOM 3128 C CB . VAL B 1 185 ? -31.417 14.756 51.150 1.00 109.78 ? 422 VAL B CB 1 ATOM 3129 C CG1 . VAL B 1 185 ? -32.155 14.891 49.819 1.00 132.02 ? 422 VAL B CG1 1 ATOM 3130 C CG2 . VAL B 1 185 ? -32.052 13.650 52.009 1.00 91.28 ? 422 VAL B CG2 1 ATOM 3131 N N . PHE B 1 186 ? -29.399 13.594 48.737 1.00 64.69 ? 423 PHE B N 1 ATOM 3132 C CA . PHE B 1 186 ? -29.093 13.599 47.314 1.00 57.62 ? 423 PHE B CA 1 ATOM 3133 C C . PHE B 1 186 ? -30.269 12.923 46.650 1.00 81.71 ? 423 PHE B C 1 ATOM 3134 O O . PHE B 1 186 ? -30.956 12.114 47.284 1.00 80.18 ? 423 PHE B O 1 ATOM 3135 C CB . PHE B 1 186 ? -27.835 12.774 47.043 1.00 47.24 ? 423 PHE B CB 1 ATOM 3136 C CG . PHE B 1 186 ? -26.575 13.439 47.506 1.00 93.35 ? 423 PHE B CG 1 ATOM 3137 C CD1 . PHE B 1 186 ? -26.120 13.281 48.808 1.00 95.39 ? 423 PHE B CD1 1 ATOM 3138 C CD2 . PHE B 1 186 ? -25.850 14.238 46.643 1.00 49.65 ? 423 PHE B CD2 1 ATOM 3139 C CE1 . PHE B 1 186 ? -24.977 13.903 49.228 1.00 79.55 ? 423 PHE B CE1 1 ATOM 3140 C CE2 . PHE B 1 186 ? -24.714 14.862 47.058 1.00 73.67 ? 423 PHE B CE2 1 ATOM 3141 C CZ . PHE B 1 186 ? -24.267 14.692 48.350 1.00 64.01 ? 423 PHE B CZ 1 ATOM 3142 N N . SER B 1 187 ? -30.514 13.218 45.379 1.00 56.21 ? 424 SER B N 1 ATOM 3143 C CA . SER B 1 187 ? -31.671 12.615 44.731 1.00 45.27 ? 424 SER B CA 1 ATOM 3144 C C . SER B 1 187 ? -31.410 12.154 43.315 1.00 60.73 ? 424 SER B C 1 ATOM 3145 O O . SER B 1 187 ? -30.661 12.787 42.572 1.00 56.53 ? 424 SER B O 1 ATOM 3146 C CB . SER B 1 187 ? -32.885 13.548 44.797 1.00 44.06 ? 424 SER B CB 1 ATOM 3147 O OG . SER B 1 187 ? -33.598 13.321 46.003 1.00 74.40 ? 424 SER B OG 1 ATOM 3148 N N . CYS B 1 188 ? -32.028 11.024 42.972 1.00 54.94 ? 425 CYS B N 1 ATOM 3149 C CA . CYS B 1 188 ? -31.884 10.394 41.665 1.00 63.75 ? 425 CYS B CA 1 ATOM 3150 C C . CYS B 1 188 ? -33.182 10.694 40.964 1.00 57.74 ? 425 CYS B C 1 ATOM 3151 O O . CYS B 1 188 ? -34.218 10.540 41.566 1.00 74.82 ? 425 CYS B O 1 ATOM 3152 C CB . CYS B 1 188 ? -31.689 8.873 41.830 1.00 47.87 ? 425 CYS B CB 1 ATOM 3153 S SG . CYS B 1 188 ? -31.345 7.930 40.304 1.00 71.42 ? 425 CYS B SG 1 ATOM 3154 N N . SER B 1 189 ? -33.140 11.165 39.722 1.00 40.44 ? 426 SER B N 1 ATOM 3155 C CA . SER B 1 189 ? -34.355 11.636 39.042 1.00 49.16 ? 426 SER B CA 1 ATOM 3156 C C . SER B 1 189 ? -34.461 10.805 37.824 1.00 48.33 ? 426 SER B C 1 ATOM 3157 O O . SER B 1 189 ? -33.563 10.787 37.021 1.00 57.42 ? 426 SER B O 1 ATOM 3158 C CB . SER B 1 189 ? -34.280 13.095 38.587 1.00 35.32 ? 426 SER B CB 1 ATOM 3159 O OG . SER B 1 189 ? -33.861 13.967 39.614 1.00 53.38 ? 426 SER B OG 1 ATOM 3160 N N . VAL B 1 190 ? -35.556 10.079 37.687 1.00 67.13 ? 427 VAL B N 1 ATOM 3161 C CA . VAL B 1 190 ? -35.707 9.204 36.539 1.00 51.52 ? 427 VAL B CA 1 ATOM 3162 C C . VAL B 1 190 ? -36.843 9.780 35.767 1.00 49.61 ? 427 VAL B C 1 ATOM 3163 O O . VAL B 1 190 ? -37.695 10.400 36.345 1.00 59.76 ? 427 VAL B O 1 ATOM 3164 C CB . VAL B 1 190 ? -36.049 7.768 36.940 1.00 44.34 ? 427 VAL B CB 1 ATOM 3165 C CG1 . VAL B 1 190 ? -35.956 6.850 35.743 1.00 30.97 ? 427 VAL B CG1 1 ATOM 3166 C CG2 . VAL B 1 190 ? -35.119 7.280 38.030 1.00 30.97 ? 427 VAL B CG2 1 ATOM 3167 N N . MET B 1 191 ? -36.832 9.588 34.457 1.00 60.55 ? 428 MET B N 1 ATOM 3168 C CA . MET B 1 191 ? -37.822 10.174 33.574 1.00 44.03 ? 428 MET B CA 1 ATOM 3169 C C . MET B 1 191 ? -38.122 9.173 32.479 1.00 33.57 ? 428 MET B C 1 ATOM 3170 O O . MET B 1 191 ? -37.298 8.925 31.611 1.00 81.26 ? 428 MET B O 1 ATOM 3171 C CB . MET B 1 191 ? -37.311 11.491 32.981 1.00 48.29 ? 428 MET B CB 1 ATOM 3172 C CG . MET B 1 191 ? -38.145 12.007 31.847 1.00 80.67 ? 428 MET B CG 1 ATOM 3173 S SD . MET B 1 191 ? -37.856 13.741 31.500 1.00 73.08 ? 428 MET B SD 1 ATOM 3174 C CE . MET B 1 191 ? -37.626 14.301 33.181 1.00 42.48 ? 428 MET B CE 1 ATOM 3175 N N . HIS B 1 192 ? -39.306 8.583 32.529 1.00 69.18 ? 429 HIS B N 1 ATOM 3176 C CA . HIS B 1 192 ? -39.649 7.473 31.652 1.00 67.91 ? 429 HIS B CA 1 ATOM 3177 C C . HIS B 1 192 ? -41.164 7.481 31.436 1.00 74.94 ? 429 HIS B C 1 ATOM 3178 O O . HIS B 1 192 ? -41.921 7.868 32.322 1.00 72.84 ? 429 HIS B O 1 ATOM 3179 C CB . HIS B 1 192 ? -39.188 6.158 32.304 1.00 69.16 ? 429 HIS B CB 1 ATOM 3180 C CG . HIS B 1 192 ? -39.474 4.949 31.484 1.00 41.16 ? 429 HIS B CG 1 ATOM 3181 N ND1 . HIS B 1 192 ? -40.480 4.068 31.790 1.00 58.70 ? 429 HIS B ND1 1 ATOM 3182 C CD2 . HIS B 1 192 ? -38.913 4.493 30.350 1.00 38.56 ? 429 HIS B CD2 1 ATOM 3183 C CE1 . HIS B 1 192 ? -40.525 3.122 30.877 1.00 61.60 ? 429 HIS B CE1 1 ATOM 3184 N NE2 . HIS B 1 192 ? -39.571 3.353 29.996 1.00 53.50 ? 429 HIS B NE2 1 ATOM 3185 N N . GLU B 1 193 ? -41.607 7.055 30.263 1.00 53.38 ? 430 GLU B N 1 ATOM 3186 C CA . GLU B 1 193 ? -43.021 7.168 29.913 1.00 53.41 ? 430 GLU B CA 1 ATOM 3187 C C . GLU B 1 193 ? -43.988 6.501 30.874 1.00 44.73 ? 430 GLU B C 1 ATOM 3188 O O . GLU B 1 193 ? -44.996 7.076 31.211 1.00 64.82 ? 430 GLU B O 1 ATOM 3189 C CB . GLU B 1 193 ? -43.291 6.715 28.482 1.00 31.42 ? 430 GLU B CB 1 ATOM 3190 C CG . GLU B 1 193 ? -43.679 5.281 28.313 1.00 54.04 ? 430 GLU B CG 1 ATOM 3191 C CD . GLU B 1 193 ? -43.484 4.831 26.891 1.00 85.28 ? 430 GLU B CD 1 ATOM 3192 O OE1 . GLU B 1 193 ? -42.346 4.991 26.383 1.00 101.00 ? 430 GLU B OE1 1 ATOM 3193 O OE2 . GLU B 1 193 ? -44.456 4.326 26.271 1.00 65.21 ? 430 GLU B OE2 1 ATOM 3194 N N . ALA B 1 194 ? -43.664 5.316 31.353 1.00 43.08 ? 431 ALA B N 1 ATOM 3195 C CA . ALA B 1 194 ? -44.571 4.586 32.206 1.00 36.29 ? 431 ALA B CA 1 ATOM 3196 C C . ALA B 1 194 ? -44.529 5.086 33.627 1.00 52.07 ? 431 ALA B C 1 ATOM 3197 O O . ALA B 1 194 ? -44.990 4.405 34.532 1.00 47.09 ? 431 ALA B O 1 ATOM 3198 C CB . ALA B 1 194 ? -44.230 3.147 32.181 1.00 47.12 ? 431 ALA B CB 1 ATOM 3199 N N . LEU B 1 195 ? -43.932 6.253 33.832 1.00 51.66 ? 432 LEU B N 1 ATOM 3200 C CA . LEU B 1 195 ? -43.964 6.888 35.133 1.00 39.48 ? 432 LEU B CA 1 ATOM 3201 C C . LEU B 1 195 ? -45.097 7.904 35.184 1.00 67.18 ? 432 LEU B C 1 ATOM 3202 O O . LEU B 1 195 ? -45.412 8.563 34.189 1.00 42.55 ? 432 LEU B O 1 ATOM 3203 C CB . LEU B 1 195 ? -42.651 7.566 35.417 1.00 34.93 ? 432 LEU B CB 1 ATOM 3204 C CG . LEU B 1 195 ? -41.487 6.673 35.849 1.00 54.10 ? 432 LEU B CG 1 ATOM 3205 C CD1 . LEU B 1 195 ? -40.137 7.415 35.749 1.00 63.89 ? 432 LEU B CD1 1 ATOM 3206 C CD2 . LEU B 1 195 ? -41.689 6.164 37.253 1.00 56.15 ? 432 LEU B CD2 1 ATOM 3207 N N . HIS B 1 196 ? -45.740 8.012 36.338 1.00 54.42 ? 433 HIS B N 1 ATOM 3208 C CA . HIS B 1 196 ? -46.788 8.992 36.452 1.00 53.33 ? 433 HIS B CA 1 ATOM 3209 C C . HIS B 1 196 ? -46.128 10.343 36.291 1.00 56.64 ? 433 HIS B C 1 ATOM 3210 O O . HIS B 1 196 ? -45.056 10.575 36.871 1.00 64.21 ? 433 HIS B O 1 ATOM 3211 C CB . HIS B 1 196 ? -47.520 8.901 37.785 1.00 90.23 ? 433 HIS B CB 1 ATOM 3212 C CG . HIS B 1 196 ? -48.644 9.892 37.890 1.00 125.56 ? 433 HIS B CG 1 ATOM 3213 N ND1 . HIS B 1 196 ? -49.563 10.066 36.899 1.00 139.55 ? 433 HIS B ND1 1 ATOM 3214 C CD2 . HIS B 1 196 ? -48.962 10.775 38.881 1.00 118.57 ? 433 HIS B CD2 1 ATOM 3215 C CE1 . HIS B 1 196 ? -50.426 11.021 37.254 1.00 118.54 ? 433 HIS B CE1 1 ATOM 3216 N NE2 . HIS B 1 196 ? -50.078 11.451 38.445 1.00 102.87 ? 433 HIS B NE2 1 ATOM 3217 N N . ASN B 1 197 ? -46.735 11.203 35.468 1.00 54.76 ? 434 ASN B N 1 ATOM 3218 C CA . ASN B 1 197 ? -46.123 12.472 35.082 1.00 62.09 ? 434 ASN B CA 1 ATOM 3219 C C . ASN B 1 197 ? -44.746 12.365 34.396 1.00 50.47 ? 434 ASN B C 1 ATOM 3220 O O . ASN B 1 197 ? -44.026 13.365 34.321 1.00 55.44 ? 434 ASN B O 1 ATOM 3221 C CB . ASN B 1 197 ? -46.010 13.381 36.297 1.00 53.68 ? 434 ASN B CB 1 ATOM 3222 C CG . ASN B 1 197 ? -47.270 14.095 36.577 1.00 72.72 ? 434 ASN B CG 1 ATOM 3223 O OD1 . ASN B 1 197 ? -48.009 14.452 35.656 1.00 49.48 ? 434 ASN B OD1 1 ATOM 3224 N ND2 . ASN B 1 197 ? -47.543 14.322 37.852 1.00 75.49 ? 434 ASN B ND2 1 ATOM 3225 N N . HIS B 1 198 ? -44.392 11.153 33.951 1.00 40.07 ? 435 HIS B N 1 ATOM 3226 C CA . HIS B 1 198 ? -43.202 10.864 33.180 1.00 50.36 ? 435 HIS B CA 1 ATOM 3227 C C . HIS B 1 198 ? -41.952 11.069 33.997 1.00 56.57 ? 435 HIS B C 1 ATOM 3228 O O . HIS B 1 198 ? -40.876 11.252 33.444 1.00 56.23 ? 435 HIS B O 1 ATOM 3229 C CB . HIS B 1 198 ? -43.168 11.753 31.950 1.00 32.67 ? 435 HIS B CB 1 ATOM 3230 C CG . HIS B 1 198 ? -44.030 11.277 30.841 1.00 46.54 ? 435 HIS B CG 1 ATOM 3231 N ND1 . HIS B 1 198 ? -44.060 11.891 29.615 1.00 69.99 ? 435 HIS B ND1 1 ATOM 3232 C CD2 . HIS B 1 198 ? -44.881 10.227 30.761 1.00 38.03 ? 435 HIS B CD2 1 ATOM 3233 C CE1 . HIS B 1 198 ? -44.892 11.241 28.820 1.00 52.96 ? 435 HIS B CE1 1 ATOM 3234 N NE2 . HIS B 1 198 ? -45.400 10.221 29.499 1.00 52.93 ? 435 HIS B NE2 1 ATOM 3235 N N . TYR B 1 199 ? -42.078 11.062 35.315 1.00 41.08 ? 436 TYR B N 1 ATOM 3236 C CA . TYR B 1 199 ? -40.977 11.531 36.124 1.00 48.09 ? 436 TYR B CA 1 ATOM 3237 C C . TYR B 1 199 ? -41.189 11.164 37.561 1.00 48.26 ? 436 TYR B C 1 ATOM 3238 O O . TYR B 1 199 ? -42.108 11.663 38.176 1.00 67.09 ? 436 TYR B O 1 ATOM 3239 C CB . TYR B 1 199 ? -40.857 13.076 36.016 1.00 55.68 ? 436 TYR B CB 1 ATOM 3240 C CG . TYR B 1 199 ? -39.828 13.697 36.965 1.00 44.24 ? 436 TYR B CG 1 ATOM 3241 C CD1 . TYR B 1 199 ? -38.543 13.961 36.545 1.00 40.37 ? 436 TYR B CD1 1 ATOM 3242 C CD2 . TYR B 1 199 ? -40.157 13.996 38.282 1.00 38.70 ? 436 TYR B CD2 1 ATOM 3243 C CE1 . TYR B 1 199 ? -37.616 14.487 37.411 1.00 46.58 ? 436 TYR B CE1 1 ATOM 3244 C CE2 . TYR B 1 199 ? -39.247 14.518 39.144 1.00 48.43 ? 436 TYR B CE2 1 ATOM 3245 C CZ . TYR B 1 199 ? -37.976 14.761 38.712 1.00 62.35 ? 436 TYR B CZ 1 ATOM 3246 O OH . TYR B 1 199 ? -37.071 15.286 39.596 1.00 63.00 ? 436 TYR B OH 1 ATOM 3247 N N . THR B 1 200 ? -40.332 10.327 38.110 1.00 37.00 ? 437 THR B N 1 ATOM 3248 C CA . THR B 1 200 ? -40.227 10.179 39.552 1.00 47.60 ? 437 THR B CA 1 ATOM 3249 C C . THR B 1 200 ? -38.827 10.554 40.092 1.00 61.37 ? 437 THR B C 1 ATOM 3250 O O . THR B 1 200 ? -37.911 10.930 39.350 1.00 54.17 ? 437 THR B O 1 ATOM 3251 C CB . THR B 1 200 ? -40.535 8.740 39.995 1.00 57.76 ? 437 THR B CB 1 ATOM 3252 O OG1 . THR B 1 200 ? -40.659 8.701 41.416 1.00 49.80 ? 437 THR B OG1 1 ATOM 3253 C CG2 . THR B 1 200 ? -39.430 7.758 39.576 1.00 37.01 ? 437 THR B CG2 1 ATOM 3254 N N . GLN B 1 201 ? -38.639 10.380 41.388 1.00 42.34 ? 438 GLN B N 1 ATOM 3255 C CA . GLN B 1 201 ? -37.414 10.802 42.002 1.00 50.70 ? 438 GLN B CA 1 ATOM 3256 C C . GLN B 1 201 ? -37.259 10.218 43.401 1.00 46.73 ? 438 GLN B C 1 ATOM 3257 O O . GLN B 1 201 ? -38.146 10.331 44.229 1.00 68.20 ? 438 GLN B O 1 ATOM 3258 C CB . GLN B 1 201 ? -37.395 12.332 42.020 1.00 65.38 ? 438 GLN B CB 1 ATOM 3259 C CG . GLN B 1 201 ? -37.082 12.959 43.341 1.00 63.65 ? 438 GLN B CG 1 ATOM 3260 C CD . GLN B 1 201 ? -37.019 14.432 43.220 1.00 80.96 ? 438 GLN B CD 1 ATOM 3261 O OE1 . GLN B 1 201 ? -36.818 14.971 42.126 1.00 90.51 ? 438 GLN B OE1 1 ATOM 3262 N NE2 . GLN B 1 201 ? -37.193 15.111 44.336 1.00 81.11 ? 438 GLN B NE2 1 ATOM 3263 N N . LYS B 1 202 ? -36.128 9.569 43.654 1.00 66.88 ? 439 LYS B N 1 ATOM 3264 C CA . LYS B 1 202 ? -35.849 9.005 44.973 1.00 72.89 ? 439 LYS B CA 1 ATOM 3265 C C . LYS B 1 202 ? -34.669 9.679 45.647 1.00 86.63 ? 439 LYS B C 1 ATOM 3266 O O . LYS B 1 202 ? -33.724 10.110 44.980 1.00 68.89 ? 439 LYS B O 1 ATOM 3267 C CB . LYS B 1 202 ? -35.644 7.484 44.895 1.00 52.34 ? 439 LYS B CB 1 ATOM 3268 C CG . LYS B 1 202 ? -36.952 6.723 44.638 1.00 95.25 ? 439 LYS B CG 1 ATOM 3269 C CD . LYS B 1 202 ? -38.071 7.174 45.575 1.00 114.32 ? 439 LYS B CD 1 ATOM 3270 C CE . LYS B 1 202 ? -39.433 6.573 45.205 1.00 111.67 ? 439 LYS B CE 1 ATOM 3271 N NZ . LYS B 1 202 ? -40.091 7.236 44.033 1.00 113.44 ? 439 LYS B NZ 1 ATOM 3272 N N . SER B 1 203 ? -34.740 9.760 46.974 1.00 73.83 ? 440 SER B N 1 ATOM 3273 C CA . SER B 1 203 ? -33.731 10.454 47.767 1.00 60.87 ? 440 SER B CA 1 ATOM 3274 C C . SER B 1 203 ? -32.791 9.487 48.496 1.00 88.55 ? 440 SER B C 1 ATOM 3275 O O . SER B 1 203 ? -32.984 8.271 48.462 1.00 102.24 ? 440 SER B O 1 ATOM 3276 C CB . SER B 1 203 ? -34.386 11.398 48.770 1.00 69.45 ? 440 SER B CB 1 ATOM 3277 O OG . SER B 1 203 ? -34.962 10.660 49.831 1.00 100.82 ? 440 SER B OG 1 ATOM 3278 N N . LEU B 1 204 ? -31.777 10.035 49.160 1.00 83.09 ? 441 LEU B N 1 ATOM 3279 C CA . LEU B 1 204 ? -30.684 9.225 49.674 1.00 73.79 ? 441 LEU B CA 1 ATOM 3280 C C . LEU B 1 204 ? -29.776 10.076 50.567 1.00 81.59 ? 441 LEU B C 1 ATOM 3281 O O . LEU B 1 204 ? -29.206 11.064 50.112 1.00 84.61 ? 441 LEU B O 1 ATOM 3282 C CB . LEU B 1 204 ? -29.917 8.643 48.475 1.00 69.37 ? 441 LEU B CB 1 ATOM 3283 C CG . LEU B 1 204 ? -28.491 8.061 48.517 1.00 71.20 ? 441 LEU B CG 1 ATOM 3284 C CD1 . LEU B 1 204 ? -28.393 6.700 49.206 1.00 65.19 ? 441 LEU B CD1 1 ATOM 3285 C CD2 . LEU B 1 204 ? -27.987 7.954 47.097 1.00 86.59 ? 441 LEU B CD2 1 ATOM 3286 N N . SER B 1 205 ? -29.662 9.708 51.841 1.00 79.98 ? 442 SER B N 1 ATOM 3287 C CA . SER B 1 205 ? -28.790 10.431 52.772 1.00 86.83 ? 442 SER B CA 1 ATOM 3288 C C . SER B 1 205 ? -28.302 9.574 53.929 1.00 85.94 ? 442 SER B C 1 ATOM 3289 O O . SER B 1 205 ? -28.890 8.534 54.239 1.00 83.11 ? 442 SER B O 1 ATOM 3290 C CB . SER B 1 205 ? -29.477 11.687 53.324 1.00 103.68 ? 442 SER B CB 1 ATOM 3291 O OG . SER B 1 205 ? -30.597 11.374 54.144 1.00 92.46 ? 442 SER B OG 1 ATOM 3292 N N . LEU B 1 206 ? -27.217 10.023 54.554 1.00 99.99 ? 443 LEU B N 1 ATOM 3293 C CA . LEU B 1 206 ? -26.627 9.321 55.681 1.00 105.47 ? 443 LEU B CA 1 ATOM 3294 C C . LEU B 1 206 ? -27.681 9.053 56.757 1.00 114.85 ? 443 LEU B C 1 ATOM 3295 O O . LEU B 1 206 ? -28.537 9.903 57.004 1.00 128.75 ? 443 LEU B O 1 ATOM 3296 C CB . LEU B 1 206 ? -25.481 10.150 56.263 1.00 112.62 ? 443 LEU B CB 1 ATOM 3297 C CG . LEU B 1 206 ? -25.171 9.603 57.660 1.00 119.66 ? 443 LEU B CG 1 ATOM 3298 C CD1 . LEU B 1 206 ? -23.980 8.652 57.762 1.00 84.46 ? 443 LEU B CD1 1 ATOM 3299 C CD2 . LEU B 1 206 ? -25.311 10.579 58.833 1.00 142.41 ? 443 LEU B CD2 1 ATOM 3300 N N . SER B 1 207 ? -27.627 7.871 57.372 1.00 119.76 ? 444 SER B N 1 ATOM 3301 C CA . SER B 1 207 ? -28.521 7.520 58.473 1.00 144.08 ? 444 SER B CA 1 ATOM 3302 C C . SER B 1 207 ? -27.988 7.908 59.858 1.00 128.58 ? 444 SER B C 1 ATOM 3303 O O . SER B 1 207 ? -28.523 7.482 60.886 1.00 113.58 ? 444 SER B O 1 ATOM 3304 C CB . SER B 1 207 ? -28.817 6.021 58.453 1.00 159.97 ? 444 SER B CB 1 ATOM 3305 O OG . SER B 1 207 ? -29.234 5.574 59.743 1.00 164.37 ? 444 SER B OG 1 HETATM 3306 C C1 . NAG C 2 . ? -23.970 -13.201 3.891 1.00 128.33 ? 501 NAG A C1 1 HETATM 3307 C C2 . NAG C 2 . ? -23.874 -11.709 4.234 1.00 162.13 ? 501 NAG A C2 1 HETATM 3308 C C3 . NAG C 2 . ? -22.923 -11.382 5.402 1.00 185.81 ? 501 NAG A C3 1 HETATM 3309 C C4 . NAG C 2 . ? -22.842 -12.421 6.537 1.00 172.74 ? 501 NAG A C4 1 HETATM 3310 C C5 . NAG C 2 . ? -22.934 -13.851 5.983 1.00 160.79 ? 501 NAG A C5 1 HETATM 3311 C C6 . NAG C 2 . ? -23.272 -14.867 7.064 1.00 143.21 ? 501 NAG A C6 1 HETATM 3312 C C7 . NAG C 2 . ? -23.743 -9.601 2.939 1.00 147.08 ? 501 NAG A C7 1 HETATM 3313 C C8 . NAG C 2 . ? -23.556 -8.936 1.593 1.00 115.62 ? 501 NAG A C8 1 HETATM 3314 N N2 . NAG C 2 . ? -23.515 -10.926 3.046 1.00 156.54 ? 501 NAG A N2 1 HETATM 3315 O O3 . NAG C 2 . ? -23.327 -10.127 5.923 1.00 197.09 ? 501 NAG A O3 1 HETATM 3316 O O4 . NAG C 2 . ? -21.670 -12.224 7.345 1.00 130.46 ? 501 NAG A O4 1 HETATM 3317 O O5 . NAG C 2 . ? -23.989 -14.006 5.049 1.00 144.81 ? 501 NAG A O5 1 HETATM 3318 O O6 . NAG C 2 . ? -24.315 -15.664 6.535 1.00 131.85 ? 501 NAG A O6 1 HETATM 3319 O O7 . NAG C 2 . ? -24.087 -8.907 3.898 1.00 148.46 ? 501 NAG A O7 1 HETATM 3320 C C1 . NAG D 2 . ? -21.853 -11.197 8.373 1.00 127.82 ? 502 NAG A C1 1 HETATM 3321 C C2 . NAG D 2 . ? -21.228 -11.614 9.706 1.00 129.67 ? 502 NAG A C2 1 HETATM 3322 C C3 . NAG D 2 . ? -21.180 -10.538 10.782 1.00 137.12 ? 502 NAG A C3 1 HETATM 3323 C C4 . NAG D 2 . ? -20.667 -9.205 10.259 1.00 133.01 ? 502 NAG A C4 1 HETATM 3324 C C5 . NAG D 2 . ? -21.356 -8.871 8.935 1.00 126.64 ? 502 NAG A C5 1 HETATM 3325 C C6 . NAG D 2 . ? -20.665 -7.706 8.244 1.00 121.34 ? 502 NAG A C6 1 HETATM 3326 C C7 . NAG D 2 . ? -21.276 -13.708 10.853 1.00 134.12 ? 502 NAG A C7 1 HETATM 3327 C C8 . NAG D 2 . ? -21.482 -14.997 10.159 1.00 107.43 ? 502 NAG A C8 1 HETATM 3328 N N2 . NAG D 2 . ? -21.930 -12.714 10.289 1.00 145.62 ? 502 NAG A N2 1 HETATM 3329 O O3 . NAG D 2 . ? -20.369 -11.003 11.846 1.00 121.19 ? 502 NAG A O3 1 HETATM 3330 O O4 . NAG D 2 . ? -20.953 -8.213 11.233 1.00 113.70 ? 502 NAG A O4 1 HETATM 3331 O O5 . NAG D 2 . ? -21.347 -9.930 7.988 1.00 128.33 ? 502 NAG A O5 1 HETATM 3332 O O6 . NAG D 2 . ? -20.767 -7.895 6.845 1.00 121.30 ? 502 NAG A O6 1 HETATM 3333 O O7 . NAG D 2 . ? -20.543 -13.592 11.840 1.00 137.16 ? 502 NAG A O7 1 HETATM 3334 C C1 . BMA E 3 . ? -19.877 -7.963 12.177 1.00 111.63 ? 503 BMA A C1 1 HETATM 3335 C C2 . BMA E 3 . ? -19.611 -6.450 12.119 1.00 111.87 ? 503 BMA A C2 1 HETATM 3336 C C3 . BMA E 3 . ? -18.808 -5.862 13.285 1.00 111.69 ? 503 BMA A C3 1 HETATM 3337 C C4 . BMA E 3 . ? -19.241 -6.498 14.597 1.00 133.01 ? 503 BMA A C4 1 HETATM 3338 C C5 . BMA E 3 . ? -19.249 -8.024 14.496 1.00 140.53 ? 503 BMA A C5 1 HETATM 3339 C C6 . BMA E 3 . ? -19.614 -8.612 15.865 1.00 140.32 ? 503 BMA A C6 1 HETATM 3340 O O2 . BMA E 3 . ? -20.848 -5.778 12.010 1.00 122.32 ? 503 BMA A O2 1 HETATM 3341 O O3 . BMA E 3 . ? -19.042 -4.463 13.378 1.00 121.34 ? 503 BMA A O3 1 HETATM 3342 O O4 . BMA E 3 . ? -18.405 -6.047 15.644 1.00 125.11 ? 503 BMA A O4 1 HETATM 3343 O O5 . BMA E 3 . ? -20.172 -8.422 13.491 1.00 138.82 ? 503 BMA A O5 1 HETATM 3344 O O6 . BMA E 3 . ? -20.350 -9.813 15.767 1.00 146.13 ? 503 BMA A O6 1 HETATM 3345 C C1 . MAN F 4 . ? -17.949 -3.624 12.927 1.00 128.96 ? 504 MAN A C1 1 HETATM 3346 C C2 . MAN F 4 . ? -17.894 -2.353 13.783 1.00 142.63 ? 504 MAN A C2 1 HETATM 3347 C C3 . MAN F 4 . ? -19.157 -1.513 13.638 1.00 140.01 ? 504 MAN A C3 1 HETATM 3348 C C4 . MAN F 4 . ? -19.416 -1.265 12.160 1.00 148.54 ? 504 MAN A C4 1 HETATM 3349 C C5 . MAN F 4 . ? -19.366 -2.583 11.383 1.00 137.79 ? 504 MAN A C5 1 HETATM 3350 C C6 . MAN F 4 . ? -19.620 -2.367 9.889 1.00 122.40 ? 504 MAN A C6 1 HETATM 3351 O O2 . MAN F 4 . ? -16.765 -1.544 13.506 1.00 126.23 ? 504 MAN A O2 1 HETATM 3352 O O3 . MAN F 4 . ? -18.987 -0.282 14.310 1.00 104.53 ? 504 MAN A O3 1 HETATM 3353 O O4 . MAN F 4 . ? -20.674 -0.649 12.019 1.00 151.70 ? 504 MAN A O4 1 HETATM 3354 O O5 . MAN F 4 . ? -18.110 -3.206 11.588 1.00 127.18 ? 504 MAN A O5 1 HETATM 3355 O O6 . MAN F 4 . ? -19.737 -3.596 9.199 1.00 93.11 ? 504 MAN A O6 1 HETATM 3356 C C1 . NAG G 2 . ? -16.103 -1.462 14.778 1.00 136.93 ? 505 NAG A C1 1 HETATM 3357 C C2 . NAG G 2 . ? -14.769 -0.711 14.791 1.00 164.49 ? 505 NAG A C2 1 HETATM 3358 C C3 . NAG G 2 . ? -14.443 -0.325 16.233 1.00 162.56 ? 505 NAG A C3 1 HETATM 3359 C C4 . NAG G 2 . ? -15.107 -1.254 17.254 1.00 146.37 ? 505 NAG A C4 1 HETATM 3360 C C5 . NAG G 2 . ? -16.627 -1.259 17.060 1.00 134.49 ? 505 NAG A C5 1 HETATM 3361 C C6 . NAG G 2 . ? -17.344 -0.335 18.043 1.00 129.10 ? 505 NAG A C6 1 HETATM 3362 C C7 . NAG G 2 . ? -12.721 -0.915 13.462 1.00 149.81 ? 505 NAG A C7 1 HETATM 3363 C C8 . NAG G 2 . ? -11.699 -0.047 14.140 1.00 124.12 ? 505 NAG A C8 1 HETATM 3364 N N2 . NAG G 2 . ? -13.665 -1.471 14.229 1.00 164.47 ? 505 NAG A N2 1 HETATM 3365 O O3 . NAG G 2 . ? -14.861 1.004 16.443 1.00 155.08 ? 505 NAG A O3 1 HETATM 3366 O O4 . NAG G 2 . ? -14.574 -2.567 17.176 1.00 101.12 ? 505 NAG A O4 1 HETATM 3367 O O5 . NAG G 2 . ? -16.950 -0.868 15.743 1.00 118.27 ? 505 NAG A O5 1 HETATM 3368 O O6 . NAG G 2 . ? -17.753 -1.059 19.186 1.00 114.76 ? 505 NAG A O6 1 HETATM 3369 O O7 . NAG G 2 . ? -12.657 -1.092 12.245 1.00 142.49 ? 505 NAG A O7 1 HETATM 3370 C C1 . MAN H 4 . ? -20.100 -10.677 16.899 1.00 134.64 ? 506 MAN A C1 1 HETATM 3371 C C2 . MAN H 4 . ? -19.413 -11.952 16.426 1.00 124.75 ? 506 MAN A C2 1 HETATM 3372 C C3 . MAN H 4 . ? -20.208 -12.454 15.231 1.00 104.49 ? 506 MAN A C3 1 HETATM 3373 C C4 . MAN H 4 . ? -21.688 -12.598 15.590 1.00 135.54 ? 506 MAN A C4 1 HETATM 3374 C C5 . MAN H 4 . ? -22.236 -11.462 16.461 1.00 134.38 ? 506 MAN A C5 1 HETATM 3375 C C6 . MAN H 4 . ? -23.554 -11.895 17.098 1.00 145.00 ? 506 MAN A C6 1 HETATM 3376 O O2 . MAN H 4 . ? -19.380 -12.964 17.427 1.00 112.98 ? 506 MAN A O2 1 HETATM 3377 O O3 . MAN H 4 . ? -19.724 -13.715 14.833 1.00 70.80 ? 506 MAN A O3 1 HETATM 3378 O O4 . MAN H 4 . ? -22.436 -12.626 14.394 1.00 147.11 ? 506 MAN A O4 1 HETATM 3379 O O5 . MAN H 4 . ? -21.322 -11.078 17.471 1.00 117.19 ? 506 MAN A O5 1 HETATM 3380 O O6 . MAN H 4 . ? -24.504 -10.858 16.982 1.00 162.70 ? 506 MAN A O6 1 HETATM 3381 C C1 . NAG I 2 . ? -18.075 -13.099 18.052 1.00 122.26 ? 507 NAG A C1 1 HETATM 3382 C C2 . NAG I 2 . ? -18.208 -13.418 19.546 1.00 115.42 ? 507 NAG A C2 1 HETATM 3383 C C3 . NAG I 2 . ? -16.914 -13.900 20.223 1.00 150.32 ? 507 NAG A C3 1 HETATM 3384 C C4 . NAG I 2 . ? -15.856 -14.561 19.337 1.00 134.16 ? 507 NAG A C4 1 HETATM 3385 C C5 . NAG I 2 . ? -15.944 -14.095 17.888 1.00 131.68 ? 507 NAG A C5 1 HETATM 3386 C C6 . NAG I 2 . ? -15.085 -14.960 16.967 1.00 110.19 ? 507 NAG A C6 1 HETATM 3387 C C7 . NAG I 2 . ? -19.420 -12.532 21.459 1.00 105.01 ? 507 NAG A C7 1 HETATM 3388 C C8 . NAG I 2 . ? -18.718 -12.323 22.780 1.00 87.74 ? 507 NAG A C8 1 HETATM 3389 N N2 . NAG I 2 . ? -18.734 -12.303 20.327 1.00 72.04 ? 507 NAG A N2 1 HETATM 3390 O O3 . NAG I 2 . ? -17.282 -14.819 21.232 1.00 180.35 ? 507 NAG A O3 1 HETATM 3391 O O4 . NAG I 2 . ? -14.573 -14.259 19.871 1.00 102.19 ? 507 NAG A O4 1 HETATM 3392 O O5 . NAG I 2 . ? -17.289 -14.116 17.455 1.00 130.06 ? 507 NAG A O5 1 HETATM 3393 O O6 . NAG I 2 . ? -14.887 -16.248 17.511 1.00 81.17 ? 507 NAG A O6 1 HETATM 3394 O O7 . NAG I 2 . ? -20.592 -12.914 21.455 1.00 91.13 ? 507 NAG A O7 1 HETATM 3395 C C1 . FUC J 5 . ? -25.506 -15.725 7.363 1.00 148.86 ? 508 FUC A C1 1 HETATM 3396 C C2 . FUC J 5 . ? -25.700 -14.597 8.381 1.00 120.32 ? 508 FUC A C2 1 HETATM 3397 C C3 . FUC J 5 . ? -26.913 -14.898 9.263 1.00 138.36 ? 508 FUC A C3 1 HETATM 3398 C C4 . FUC J 5 . ? -27.668 -16.177 8.870 1.00 173.26 ? 508 FUC A C4 1 HETATM 3399 C C5 . FUC J 5 . ? -27.774 -16.426 7.356 1.00 168.94 ? 508 FUC A C5 1 HETATM 3400 C C6 . FUC J 5 . ? -27.869 -17.918 7.035 1.00 127.58 ? 508 FUC A C6 1 HETATM 3401 O O2 . FUC J 5 . ? -25.885 -13.344 7.761 1.00 88.80 ? 508 FUC A O2 1 HETATM 3402 O O3 . FUC J 5 . ? -26.512 -15.005 10.607 1.00 97.28 ? 508 FUC A O3 1 HETATM 3403 O O4 . FUC J 5 . ? -27.084 -17.291 9.517 1.00 197.07 ? 508 FUC A O4 1 HETATM 3404 O O5 . FUC J 5 . ? -26.706 -15.842 6.622 1.00 178.02 ? 508 FUC A O5 1 HETATM 3405 C C1 . EDO K 6 . ? -14.455 8.971 40.309 1.00 113.34 ? 509 EDO A C1 1 HETATM 3406 O O1 . EDO K 6 . ? -15.134 10.203 40.563 1.00 120.71 ? 509 EDO A O1 1 HETATM 3407 C C2 . EDO K 6 . ? -14.674 8.588 38.850 1.00 113.49 ? 509 EDO A C2 1 HETATM 3408 O O2 . EDO K 6 . ? -13.613 9.065 37.997 1.00 71.94 ? 509 EDO A O2 1 HETATM 3409 C C1 . NAG L 2 . ? -15.180 9.762 6.593 1.00 162.61 ? 501 NAG B C1 1 HETATM 3410 C C2 . NAG L 2 . ? -15.626 8.301 6.580 1.00 183.44 ? 501 NAG B C2 1 HETATM 3411 C C3 . NAG L 2 . ? -17.126 8.151 6.840 1.00 195.60 ? 501 NAG B C3 1 HETATM 3412 C C4 . NAG L 2 . ? -17.517 8.785 8.171 1.00 190.55 ? 501 NAG B C4 1 HETATM 3413 C C5 . NAG L 2 . ? -16.999 10.229 8.250 1.00 173.84 ? 501 NAG B C5 1 HETATM 3414 C C6 . NAG L 2 . ? -17.041 10.768 9.688 1.00 173.94 ? 501 NAG B C6 1 HETATM 3415 C C7 . NAG L 2 . ? -15.151 6.395 5.119 1.00 184.50 ? 501 NAG B C7 1 HETATM 3416 C C8 . NAG L 2 . ? -14.219 5.645 6.025 1.00 172.06 ? 501 NAG B C8 1 HETATM 3417 N N2 . NAG L 2 . ? -15.256 7.712 5.304 1.00 186.10 ? 501 NAG B N2 1 HETATM 3418 O O3 . NAG L 2 . ? -17.495 6.786 6.814 1.00 203.17 ? 501 NAG B O3 1 HETATM 3419 O O4 . NAG L 2 . ? -18.938 8.760 8.321 1.00 192.35 ? 501 NAG B O4 1 HETATM 3420 O O5 . NAG L 2 . ? -15.688 10.460 7.729 1.00 172.95 ? 501 NAG B O5 1 HETATM 3421 O O6 . NAG L 2 . ? -15.944 10.349 10.492 1.00 176.47 ? 501 NAG B O6 1 HETATM 3422 O O7 . NAG L 2 . ? -15.789 5.798 4.253 1.00 190.03 ? 501 NAG B O7 1 HETATM 3423 C C1 . NAG M 2 . ? -19.434 7.598 9.044 1.00 177.76 ? 502 NAG B C1 1 HETATM 3424 C C2 . NAG M 2 . ? -20.233 8.005 10.284 1.00 177.56 ? 502 NAG B C2 1 HETATM 3425 C C3 . NAG M 2 . ? -20.570 6.763 11.105 1.00 179.52 ? 502 NAG B C3 1 HETATM 3426 C C4 . NAG M 2 . ? -21.233 5.682 10.247 1.00 172.63 ? 502 NAG B C4 1 HETATM 3427 C C5 . NAG M 2 . ? -20.470 5.474 8.933 1.00 159.28 ? 502 NAG B C5 1 HETATM 3428 C C6 . NAG M 2 . ? -21.177 4.464 8.020 1.00 147.04 ? 502 NAG B C6 1 HETATM 3429 C C7 . NAG M 2 . ? -20.129 10.150 11.450 1.00 159.93 ? 502 NAG B C7 1 HETATM 3430 C C8 . NAG M 2 . ? -19.415 11.039 12.426 1.00 140.52 ? 502 NAG B C8 1 HETATM 3431 N N2 . NAG M 2 . ? -19.549 8.996 11.105 1.00 174.47 ? 502 NAG B N2 1 HETATM 3432 O O3 . NAG M 2 . ? -21.406 7.140 12.179 1.00 190.13 ? 502 NAG B O3 1 HETATM 3433 O O4 . NAG M 2 . ? -21.300 4.463 10.975 1.00 174.22 ? 502 NAG B O4 1 HETATM 3434 O O5 . NAG M 2 . ? -20.237 6.713 8.276 1.00 160.36 ? 502 NAG B O5 1 HETATM 3435 O O6 . NAG M 2 . ? -21.759 5.065 6.886 1.00 128.08 ? 502 NAG B O6 1 HETATM 3436 O O7 . NAG M 2 . ? -21.215 10.505 11.002 1.00 159.23 ? 502 NAG B O7 1 HETATM 3437 C C1 . BMA N 3 . ? -22.573 4.322 11.650 1.00 159.29 ? 503 BMA B C1 1 HETATM 3438 C C2 . BMA N 3 . ? -22.923 2.856 11.831 1.00 150.21 ? 503 BMA B C2 1 HETATM 3439 C C3 . BMA N 3 . ? -24.336 2.705 12.374 1.00 168.55 ? 503 BMA B C3 1 HETATM 3440 C C4 . BMA N 3 . ? -24.747 3.788 13.379 1.00 184.03 ? 503 BMA B C4 1 HETATM 3441 C C5 . BMA N 3 . ? -24.016 5.133 13.264 1.00 174.35 ? 503 BMA B C5 1 HETATM 3442 C C6 . BMA N 3 . ? -24.132 5.945 14.566 1.00 166.50 ? 503 BMA B C6 1 HETATM 3443 O O2 . BMA N 3 . ? -22.029 2.266 12.746 1.00 152.87 ? 503 BMA B O2 1 HETATM 3444 O O3 . BMA N 3 . ? -24.383 1.455 13.032 1.00 180.47 ? 503 BMA B O3 1 HETATM 3445 O O4 . BMA N 3 . ? -26.124 4.022 13.181 1.00 195.93 ? 503 BMA B O4 1 HETATM 3446 O O5 . BMA N 3 . ? -22.659 4.925 12.924 1.00 165.28 ? 503 BMA B O5 1 HETATM 3447 O O6 . BMA N 3 . ? -24.220 7.352 14.338 1.00 148.08 ? 503 BMA B O6 1 HETATM 3448 C C1 . MAN O 4 . ? -25.310 0.532 12.427 1.00 183.29 ? 504 MAN B C1 1 HETATM 3449 C C2 . MAN O 4 . ? -25.245 -0.783 13.201 1.00 173.38 ? 504 MAN B C2 1 HETATM 3450 C C3 . MAN O 4 . ? -23.870 -1.397 13.032 1.00 141.33 ? 504 MAN B C3 1 HETATM 3451 C C4 . MAN O 4 . ? -23.764 -1.726 11.554 1.00 128.58 ? 504 MAN B C4 1 HETATM 3452 C C5 . MAN O 4 . ? -23.875 -0.430 10.747 1.00 154.35 ? 504 MAN B C5 1 HETATM 3453 C C6 . MAN O 4 . ? -23.813 -0.701 9.246 1.00 130.51 ? 504 MAN B C6 1 HETATM 3454 O O2 . MAN O 4 . ? -26.195 -1.699 12.706 1.00 167.95 ? 504 MAN B O2 1 HETATM 3455 O O3 . MAN O 4 . ? -23.728 -2.561 13.813 1.00 109.57 ? 504 MAN B O3 1 HETATM 3456 O O4 . MAN O 4 . ? -22.560 -2.404 11.288 1.00 106.93 ? 504 MAN B O4 1 HETATM 3457 O O5 . MAN O 4 . ? -25.075 0.273 11.051 1.00 181.03 ? 504 MAN B O5 1 HETATM 3458 O O6 . MAN O 4 . ? -22.469 -0.803 8.836 1.00 107.07 ? 504 MAN B O6 1 HETATM 3459 C C1 . NAG P 2 . ? -27.504 -1.256 13.084 1.00 145.11 ? 505 NAG B C1 1 HETATM 3460 C C2 . NAG P 2 . ? -28.509 -1.503 11.965 1.00 130.93 ? 505 NAG B C2 1 HETATM 3461 C C3 . NAG P 2 . ? -29.912 -1.090 12.423 1.00 137.82 ? 505 NAG B C3 1 HETATM 3462 C C4 . NAG P 2 . ? -30.256 -1.556 13.844 1.00 136.65 ? 505 NAG B C4 1 HETATM 3463 C C5 . NAG P 2 . ? -29.084 -1.349 14.809 1.00 141.78 ? 505 NAG B C5 1 HETATM 3464 C C6 . NAG P 2 . ? -29.306 -1.999 16.172 1.00 119.44 ? 505 NAG B C6 1 HETATM 3465 C C7 . NAG P 2 . ? -27.603 -1.311 9.673 1.00 118.11 ? 505 NAG B C7 1 HETATM 3466 C C8 . NAG P 2 . ? -27.384 -2.794 9.677 1.00 60.47 ? 505 NAG B C8 1 HETATM 3467 N N2 . NAG P 2 . ? -28.107 -0.757 10.780 1.00 133.90 ? 505 NAG B N2 1 HETATM 3468 O O3 . NAG P 2 . ? -30.880 -1.588 11.523 1.00 129.85 ? 505 NAG B O3 1 HETATM 3469 O O4 . NAG P 2 . ? -31.392 -0.845 14.306 1.00 117.07 ? 505 NAG B O4 1 HETATM 3470 O O5 . NAG P 2 . ? -27.914 -1.906 14.261 1.00 143.70 ? 505 NAG B O5 1 HETATM 3471 O O6 . NAG P 2 . ? -28.110 -2.627 16.588 1.00 69.20 ? 505 NAG B O6 1 HETATM 3472 O O7 . NAG P 2 . ? -27.316 -0.658 8.668 1.00 133.01 ? 505 NAG B O7 1 HETATM 3473 C C1 . MAN Q 4 . ? -24.669 8.054 15.528 1.00 123.51 ? 506 MAN B C1 1 HETATM 3474 C C2 . MAN Q 4 . ? -25.058 9.505 15.245 1.00 92.58 ? 506 MAN B C2 1 HETATM 3475 C C3 . MAN Q 4 . ? -23.941 10.086 14.411 1.00 126.94 ? 506 MAN B C3 1 HETATM 3476 C C4 . MAN Q 4 . ? -22.648 10.003 15.232 1.00 131.82 ? 506 MAN B C4 1 HETATM 3477 C C5 . MAN Q 4 . ? -22.438 8.647 15.925 1.00 129.86 ? 506 MAN B C5 1 HETATM 3478 C C6 . MAN Q 4 . ? -21.488 8.771 17.106 1.00 130.13 ? 506 MAN B C6 1 HETATM 3479 O O2 . MAN Q 4 . ? -25.161 10.274 16.438 1.00 69.49 ? 506 MAN B O2 1 HETATM 3480 O O3 . MAN Q 4 . ? -24.258 11.428 14.110 1.00 122.96 ? 506 MAN B O3 1 HETATM 3481 O O4 . MAN Q 4 . ? -21.540 10.254 14.396 1.00 84.72 ? 506 MAN B O4 1 HETATM 3482 O O5 . MAN Q 4 . ? -23.633 8.123 16.467 1.00 133.27 ? 506 MAN B O5 1 HETATM 3483 O O6 . MAN Q 4 . ? -22.185 8.412 18.282 1.00 127.05 ? 506 MAN B O6 1 HETATM 3484 C C1 . NAG R 2 . ? -26.495 10.769 16.712 1.00 119.96 ? 507 NAG B C1 1 HETATM 3485 C C2 . NAG R 2 . ? -26.591 11.257 18.163 1.00 117.24 ? 507 NAG B C2 1 HETATM 3486 C C3 . NAG R 2 . ? -27.956 11.877 18.478 1.00 118.40 ? 507 NAG B C3 1 HETATM 3487 C C4 . NAG R 2 . ? -28.620 12.638 17.325 1.00 104.42 ? 507 NAG B C4 1 HETATM 3488 C C5 . NAG R 2 . ? -28.276 12.118 15.938 1.00 93.25 ? 507 NAG B C5 1 HETATM 3489 C C6 . NAG R 2 . ? -28.652 13.184 14.918 1.00 78.19 ? 507 NAG B C6 1 HETATM 3490 C C7 . NAG R 2 . ? -25.359 10.040 19.928 1.00 109.05 ? 507 NAG B C7 1 HETATM 3491 C C8 . NAG R 2 . ? -25.586 10.440 21.373 1.00 74.81 ? 507 NAG B C8 1 HETATM 3492 N N2 . NAG R 2 . ? -26.392 10.151 19.086 1.00 120.17 ? 507 NAG B N2 1 HETATM 3493 O O3 . NAG R 2 . ? -27.831 12.739 19.599 1.00 102.90 ? 507 NAG B O3 1 HETATM 3494 O O4 . NAG R 2 . ? -30.018 12.542 17.457 1.00 83.65 ? 507 NAG B O4 1 HETATM 3495 O O5 . NAG R 2 . ? -26.901 11.808 15.836 1.00 134.27 ? 507 NAG B O5 1 HETATM 3496 O O6 . NAG R 2 . ? -27.929 12.986 13.727 1.00 101.50 ? 507 NAG B O6 1 HETATM 3497 O O7 . NAG R 2 . ? -24.263 9.605 19.558 1.00 104.57 ? 507 NAG B O7 1 HETATM 3498 C C1 . FUC S 5 . ? -16.405 9.503 11.572 1.00 183.37 ? 508 FUC B C1 1 HETATM 3499 C C2 . FUC S 5 . ? -15.572 8.236 11.717 1.00 157.70 ? 508 FUC B C2 1 HETATM 3500 C C3 . FUC S 5 . ? -14.172 8.554 12.235 1.00 166.31 ? 508 FUC B C3 1 HETATM 3501 C C4 . FUC S 5 . ? -14.196 9.485 13.448 1.00 163.16 ? 508 FUC B C4 1 HETATM 3502 C C5 . FUC S 5 . ? -15.170 10.645 13.232 1.00 188.53 ? 508 FUC B C5 1 HETATM 3503 C C6 . FUC S 5 . ? -15.327 11.489 14.493 1.00 182.52 ? 508 FUC B C6 1 HETATM 3504 O O2 . FUC S 5 . ? -15.488 7.587 10.469 1.00 108.77 ? 508 FUC B O2 1 HETATM 3505 O O3 . FUC S 5 . ? -13.535 7.350 12.596 1.00 180.38 ? 508 FUC B O3 1 HETATM 3506 O O4 . FUC S 5 . ? -14.493 8.770 14.633 1.00 128.23 ? 508 FUC B O4 1 HETATM 3507 O O5 . FUC S 5 . ? -16.435 10.168 12.821 1.00 200.35 ? 508 FUC B O5 1 HETATM 3508 C C1 . EDO T 6 . ? -29.499 6.274 29.601 1.00 52.89 ? 509 EDO B C1 1 HETATM 3509 O O1 . EDO T 6 . ? -28.215 5.772 29.961 1.00 67.37 ? 509 EDO B O1 1 HETATM 3510 C C2 . EDO T 6 . ? -29.840 5.724 28.220 1.00 72.30 ? 509 EDO B C2 1 HETATM 3511 O O2 . EDO T 6 . ? -31.252 5.456 28.160 1.00 96.85 ? 509 EDO B O2 1 HETATM 3512 C C1 . EDO U 6 . ? -27.050 1.833 3.421 1.00 99.12 ? 510 EDO B C1 1 HETATM 3513 O O1 . EDO U 6 . ? -26.712 1.046 4.570 1.00 92.39 ? 510 EDO B O1 1 HETATM 3514 C C2 . EDO U 6 . ? -28.190 1.213 2.619 1.00 108.37 ? 510 EDO B C2 1 HETATM 3515 O O2 . EDO U 6 . ? -29.399 1.953 2.851 1.00 86.36 ? 510 EDO B O2 1 HETATM 3516 O O . HOH V 7 . ? 1.858 1.689 32.785 1.00 32.47 ? 601 HOH A O 1 HETATM 3517 O O . HOH V 7 . ? -0.570 -6.483 32.088 1.00 44.10 ? 602 HOH A O 1 HETATM 3518 O O . HOH V 7 . ? -33.326 -7.374 40.736 1.00 34.80 ? 603 HOH A O 1 HETATM 3519 O O . HOH V 7 . ? -7.106 -9.144 28.178 1.00 50.25 ? 604 HOH A O 1 HETATM 3520 O O . HOH V 7 . ? -6.699 -8.120 29.889 1.00 37.23 ? 605 HOH A O 1 HETATM 3521 O O . HOH V 7 . ? -7.804 -7.950 33.251 1.00 46.08 ? 606 HOH A O 1 HETATM 3522 O O . HOH V 7 . ? -21.759 -9.174 53.721 1.00 67.38 ? 607 HOH A O 1 HETATM 3523 O O . HOH V 7 . ? -17.560 -0.836 27.798 1.00 58.40 ? 608 HOH A O 1 HETATM 3524 O O . HOH V 7 . ? -4.454 1.485 24.529 1.00 58.76 ? 609 HOH A O 1 HETATM 3525 O O . HOH V 7 . ? -1.740 -7.808 23.125 1.00 48.41 ? 610 HOH A O 1 HETATM 3526 O O . HOH V 7 . ? -42.518 -10.663 42.170 1.00 53.30 ? 611 HOH A O 1 HETATM 3527 O O . HOH V 7 . ? -23.830 -12.405 57.736 1.00 69.31 ? 612 HOH A O 1 HETATM 3528 O O . HOH V 7 . ? -18.778 9.225 37.982 1.00 47.27 ? 613 HOH A O 1 HETATM 3529 O O . HOH V 7 . ? -21.204 0.427 26.499 1.00 37.87 ? 614 HOH A O 1 HETATM 3530 O O . HOH V 7 . ? -41.992 -8.735 43.471 1.00 59.47 ? 615 HOH A O 1 HETATM 3531 O O . HOH V 7 . ? -20.920 1.993 28.540 1.00 32.63 ? 616 HOH A O 1 HETATM 3532 O O . HOH W 7 . ? -44.306 21.370 22.656 1.00 52.55 ? 601 HOH B O 1 HETATM 3533 O O . HOH W 7 . ? -21.503 19.104 42.186 1.00 42.67 ? 602 HOH B O 1 HETATM 3534 O O . HOH W 7 . ? -23.622 9.209 32.102 1.00 56.78 ? 603 HOH B O 1 HETATM 3535 O O . HOH W 7 . ? -16.524 18.750 45.815 1.00 48.59 ? 604 HOH B O 1 HETATM 3536 O O . HOH W 7 . ? -21.813 8.462 30.498 1.00 50.01 ? 605 HOH B O 1 HETATM 3537 O O . HOH W 7 . ? -52.162 9.814 11.593 1.00 58.52 ? 606 HOH B O 1 HETATM 3538 O O . HOH W 7 . ? -37.588 -7.556 26.397 1.00 50.94 ? 607 HOH B O 1 HETATM 3539 O O . HOH W 7 . ? -39.844 6.205 26.581 1.00 27.36 ? 608 HOH B O 1 HETATM 3540 O O . HOH W 7 . ? -32.134 5.531 25.905 1.00 37.63 ? 609 HOH B O 1 HETATM 3541 O O . HOH W 7 . ? -34.228 13.527 35.146 1.00 31.23 ? 610 HOH B O 1 HETATM 3542 O O . HOH W 7 . ? -39.777 6.959 24.240 1.00 25.51 ? 611 HOH B O 1 HETATM 3543 O O . HOH W 7 . ? -28.971 -5.144 26.834 1.00 34.24 ? 612 HOH B O 1 HETATM 3544 O O . HOH W 7 . ? -14.228 6.367 45.564 1.00 59.65 ? 613 HOH B O 1 HETATM 3545 O O . HOH W 7 . ? -35.855 4.269 46.774 1.00 61.01 ? 614 HOH B O 1 HETATM 3546 O O . HOH W 7 . ? -35.275 -5.581 34.806 1.00 48.70 ? 615 HOH B O 1 HETATM 3547 O O . HOH W 7 . ? -34.211 13.341 32.389 1.00 48.12 ? 616 HOH B O 1 HETATM 3548 O O . HOH W 7 . ? -40.953 -10.171 36.314 1.00 48.71 ? 617 HOH B 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 . VAL A 3 ? 1.5252 1.3591 0.6016 -0.4442 -0.2887 0.1322 240 VAL A N 2 C CA . VAL A 3 ? 2.0268 1.8133 1.1239 -0.4407 -0.2471 0.0717 240 VAL A CA 3 C C . VAL A 3 ? 1.5827 1.4157 0.7940 -0.3831 -0.2195 0.0970 240 VAL A C 4 O O . VAL A 3 ? 1.6300 1.4803 0.8670 -0.3365 -0.1919 0.1330 240 VAL A O 5 C CB . VAL A 3 ? 1.9829 1.6644 1.0044 -0.4385 -0.1784 0.0021 240 VAL A CB 6 C CG1 . VAL A 3 ? 2.1793 1.8461 1.2282 -0.3880 -0.1220 -0.0037 240 VAL A CG1 7 C CG2 . VAL A 3 ? 1.9508 1.5842 0.9865 -0.4560 -0.1533 -0.0559 240 VAL A CG2 8 N N . PHE A 4 ? 1.3483 1.2034 0.6528 -0.3790 -0.2190 0.0805 241 PHE A N 9 C CA . PHE A 4 ? 1.5365 1.4355 0.9687 -0.3211 -0.1868 0.1027 241 PHE A CA 10 C C . PHE A 4 ? 1.7807 1.6339 1.2504 -0.3069 -0.1377 0.0431 241 PHE A C 11 O O . PHE A 4 ? 1.8770 1.6793 1.3059 -0.3424 -0.1360 -0.0090 241 PHE A O 12 C CB . PHE A 4 ? 1.4557 1.4507 0.9952 -0.3173 -0.2358 0.1654 241 PHE A CB 13 C CG . PHE A 4 ? 1.6842 1.7429 1.2203 -0.3191 -0.2818 0.2397 241 PHE A CG 14 C CD1 . PHE A 4 ? 1.8950 1.9515 1.4147 -0.2790 -0.2526 0.2740 241 PHE A CD1 15 C CD2 . PHE A 4 ? 1.5440 1.6657 1.0963 -0.3625 -0.3546 0.2781 241 PHE A CD2 16 C CE1 . PHE A 4 ? 1.7882 1.9057 1.3126 -0.2769 -0.2939 0.3500 241 PHE A CE1 17 C CE2 . PHE A 4 ? 1.6627 1.8510 1.2253 -0.3621 -0.3981 0.3519 241 PHE A CE2 18 C CZ . PHE A 4 ? 1.6844 1.8703 1.2385 -0.3158 -0.3652 0.3873 241 PHE A CZ 19 N N . LEU A 5 ? 1.5373 1.4078 1.0849 -0.2561 -0.0973 0.0538 242 LEU A N 20 C CA . LEU A 5 ? 0.9247 0.7588 0.5088 -0.2395 -0.0523 0.0056 242 LEU A CA 21 C C . LEU A 5 ? 0.7795 0.6642 0.4753 -0.2015 -0.0421 0.0339 242 LEU A C 22 O O . LEU A 5 ? 1.5445 1.4540 1.2698 -0.1659 -0.0234 0.0697 242 LEU A O 23 C CB . LEU A 5 ? 0.8964 0.6715 0.4244 -0.2231 0.0012 -0.0284 242 LEU A CB 24 C CG . LEU A 5 ? 1.6190 1.3521 1.1723 -0.2163 0.0436 -0.0821 242 LEU A CG 25 C CD1 . LEU A 5 ? 1.5003 1.1894 1.0195 -0.2564 0.0344 -0.1259 242 LEU A CD1 26 C CD2 . LEU A 5 ? 1.8173 1.5049 1.3298 -0.1996 0.0951 -0.1072 242 LEU A CD2 27 N N . PHE A 6 ? 1.0493 0.9416 0.8014 -0.2098 -0.0498 0.0175 243 PHE A N 28 C CA . PHE A 6 ? 0.9517 0.8932 0.8037 -0.1813 -0.0474 0.0489 243 PHE A CA 29 C C . PHE A 6 ? 0.9620 0.8767 0.8482 -0.1632 -0.0100 0.0143 243 PHE A C 30 O O . PHE A 6 ? 1.2166 1.0930 1.0894 -0.1821 -0.0045 -0.0283 243 PHE A O 31 C CB . PHE A 6 ? 1.1639 1.1513 1.0676 -0.2063 -0.0943 0.0739 243 PHE A CB 32 C CG . PHE A 6 ? 1.1972 1.2210 1.0735 -0.2331 -0.1426 0.1110 243 PHE A CG 33 C CD1 . PHE A 6 ? 0.9896 1.0819 0.9255 -0.2112 -0.1589 0.1776 243 PHE A CD1 34 C CD2 . PHE A 6 ? 1.3306 1.3184 1.1194 -0.2813 -0.1700 0.0814 243 PHE A CD2 35 C CE1 . PHE A 6 ? 1.3682 1.5035 1.2869 -0.2358 -0.2082 0.2192 243 PHE A CE1 36 C CE2 . PHE A 6 ? 1.4859 1.5102 1.2417 -0.3110 -0.2208 0.1183 243 PHE A CE2 37 C CZ . PHE A 6 ? 1.4348 1.5387 1.2605 -0.2879 -0.2434 0.1900 243 PHE A CZ 38 N N . PRO A 7 ? 0.8671 0.8012 0.7986 -0.1276 0.0161 0.0353 244 PRO A N 39 C CA . PRO A 7 ? 0.9516 0.8717 0.9181 -0.1108 0.0451 0.0132 244 PRO A CA 40 C C . PRO A 7 ? 0.7014 0.6381 0.7269 -0.1201 0.0265 0.0138 244 PRO A C 41 O O . PRO A 7 ? 0.8469 0.8160 0.9011 -0.1328 -0.0046 0.0408 244 PRO A O 42 C CB . PRO A 7 ? 0.6696 0.6113 0.6617 -0.0785 0.0683 0.0478 244 PRO A CB 43 C CG . PRO A 7 ? 0.8484 0.8315 0.8618 -0.0763 0.0446 0.0968 244 PRO A CG 44 C CD . PRO A 7 ? 0.8804 0.8531 0.8357 -0.1028 0.0183 0.0878 244 PRO A CD 45 N N . PRO A 8 ? 0.7116 0.6295 0.7607 -0.1138 0.0451 -0.0117 245 PRO A N 46 C CA . PRO A 8 ? 0.4166 0.3499 0.5269 -0.1158 0.0334 -0.0039 245 PRO A CA 47 C C . PRO A 8 ? 0.4183 0.3926 0.5732 -0.0953 0.0330 0.0410 245 PRO A C 48 O O . PRO A 8 ? 0.7578 0.7387 0.8975 -0.0754 0.0519 0.0585 245 PRO A O 49 C CB . PRO A 8 ? 0.6704 0.5797 0.7939 -0.1053 0.0584 -0.0315 245 PRO A CB 50 C CG . PRO A 8 ? 0.7715 0.6717 0.8573 -0.0907 0.0836 -0.0387 245 PRO A CG 51 C CD . PRO A 8 ? 0.7166 0.6047 0.7453 -0.1026 0.0780 -0.0418 245 PRO A CD 52 N N . LYS A 9 ? 0.5560 0.5516 0.7649 -0.1005 0.0169 0.0593 246 LYS A N 53 C CA . LYS A 9 ? 0.5843 0.6132 0.8388 -0.0811 0.0233 0.1014 246 LYS A CA 54 C C . LYS A 9 ? 0.3704 0.3827 0.6180 -0.0597 0.0539 0.0953 246 LYS A C 55 O O . LYS A 9 ? 0.7212 0.7107 0.9603 -0.0632 0.0586 0.0659 246 LYS A O 56 C CB . LYS A 9 ? 0.9228 0.9724 1.2369 -0.0948 0.0019 0.1178 246 LYS A CB 57 C CG . LYS A 9 ? 0.9147 1.0080 1.2627 -0.1073 -0.0249 0.1543 246 LYS A CG 58 C CD . LYS A 9 ? 1.1251 1.2150 1.4256 -0.1326 -0.0511 0.1394 246 LYS A CD 59 C CE . LYS A 9 ? 1.2084 1.3512 1.5340 -0.1305 -0.0700 0.1888 246 LYS A CE 60 N NZ . LYS A 9 ? 1.0464 1.1772 1.3064 -0.1273 -0.0681 0.1832 246 LYS A NZ 61 N N . PRO A 10 ? 0.6671 0.6894 0.9172 -0.0393 0.0762 0.1244 247 PRO A N 62 C CA . PRO A 10 ? 0.6734 0.6756 0.9030 -0.0268 0.1029 0.1177 247 PRO A CA 63 C C . PRO A 10 ? 0.5706 0.5719 0.8304 -0.0319 0.0930 0.1125 247 PRO A C 64 O O . PRO A 10 ? 0.7119 0.6982 0.9571 -0.0343 0.0954 0.0894 247 PRO A O 65 C CB . PRO A 10 ? 0.6262 0.6356 0.8518 -0.0051 0.1223 0.1475 247 PRO A CB 66 C CG . PRO A 10 ? 0.9337 0.9633 1.1728 -0.0027 0.1188 0.1710 247 PRO A CG 67 C CD . PRO A 10 ? 0.6979 0.7456 0.9622 -0.0278 0.0816 0.1639 247 PRO A CD 68 N N . LYS A 11 ? 0.7003 0.7208 1.0052 -0.0324 0.0800 0.1356 248 LYS A N 69 C CA . LYS A 11 ? 0.7676 0.7865 1.0958 -0.0313 0.0716 0.1356 248 LYS A CA 70 C C . LYS A 11 ? 0.8960 0.8993 1.2384 -0.0451 0.0598 0.1070 248 LYS A C 71 O O . LYS A 11 ? 0.8370 0.8350 1.1892 -0.0397 0.0597 0.1056 248 LYS A O 72 C CB . LYS A 11 ? 0.7993 0.8399 1.1704 -0.0305 0.0583 0.1595 248 LYS A CB 73 C CG . LYS A 11 ? 0.6016 0.6443 0.9816 -0.0162 0.0658 0.1761 248 LYS A CG 74 C CD . LYS A 11 ? 0.4805 0.5445 0.9100 -0.0169 0.0545 0.1984 248 LYS A CD 75 C CE . LYS A 11 ? 0.8356 0.9010 1.2725 -0.0028 0.0669 0.2141 248 LYS A CE 76 N NZ . LYS A 11 ? 1.0218 1.0910 1.5044 -0.0104 0.0525 0.2206 248 LYS A NZ 77 N N . ASP A 12 ? 0.7329 0.7276 1.0704 -0.0609 0.0502 0.0840 249 ASP A N 78 C CA . ASP A 12 ? 0.7198 0.6899 1.0634 -0.0722 0.0458 0.0509 249 ASP A CA 79 C C . ASP A 12 ? 0.7959 0.7550 1.1221 -0.0620 0.0609 0.0324 249 ASP A C 80 O O . ASP A 12 ? 1.1236 1.0741 1.4786 -0.0593 0.0625 0.0236 249 ASP A O 81 C CB . ASP A 12 ? 0.9797 0.9345 1.2923 -0.0916 0.0370 0.0260 249 ASP A CB 82 C CG . ASP A 12 ? 1.0583 1.0235 1.3923 -0.1122 0.0143 0.0384 249 ASP A CG 83 O OD1 . ASP A 12 ? 0.7682 0.7481 1.1453 -0.1089 0.0086 0.0610 249 ASP A OD1 84 O OD2 . ASP A 12 ? 0.3749 0.3338 0.6739 -0.1322 0.0010 0.0252 249 ASP A OD2 85 N N . THR A 13 ? 0.8474 0.8087 1.1292 -0.0560 0.0725 0.0287 250 THR A N 86 C CA . THR A 13 ? 0.6720 0.6261 0.9359 -0.0522 0.0856 0.0094 250 THR A CA 87 C C . THR A 13 ? 0.6292 0.5982 0.9045 -0.0445 0.0861 0.0285 250 THR A C 88 O O . THR A 13 ? 1.0907 1.0643 1.3832 -0.0444 0.0859 0.0197 250 THR A O 89 C CB . THR A 13 ? 0.4579 0.4033 0.6666 -0.0521 0.1001 -0.0021 250 THR A CB 90 O OG1 . THR A 13 ? 0.8093 0.7637 0.9980 -0.0438 0.1070 0.0250 250 THR A OG1 91 C CG2 . THR A 13 ? 0.3801 0.3098 0.5670 -0.0625 0.0967 -0.0197 250 THR A CG2 92 N N . LEU A 14 ? 0.3736 0.3509 0.6405 -0.0394 0.0869 0.0571 251 LEU A N 93 C CA . LEU A 14 ? 0.5696 0.5539 0.8285 -0.0371 0.0875 0.0762 251 LEU A CA 94 C C . LEU A 14 ? 0.6001 0.5947 0.9076 -0.0340 0.0728 0.0992 251 LEU A C 95 O O . LEU A 14 ? 0.8044 0.8023 1.0970 -0.0329 0.0727 0.1233 251 LEU A O 96 C CB . LEU A 14 ? 0.5688 0.5443 0.7822 -0.0334 0.1061 0.0950 251 LEU A CB 97 C CG . LEU A 14 ? 0.7846 0.7490 0.9663 -0.0302 0.1241 0.0866 251 LEU A CG 98 C CD1 . LEU A 14 ? 0.5835 0.5472 0.7466 -0.0161 0.1331 0.1082 251 LEU A CD1 99 C CD2 . LEU A 14 ? 0.5909 0.5389 0.7211 -0.0363 0.1394 0.0627 251 LEU A CD2 100 N N . MET A 15 ? 0.5464 0.5393 0.9048 -0.0343 0.0635 0.0923 252 MET A N 101 C CA . MET A 15 ? 0.5330 0.5305 0.9392 -0.0291 0.0530 0.1131 252 MET A CA 102 C C . MET A 15 ? 0.8730 0.8622 1.3226 -0.0283 0.0514 0.0924 252 MET A C 103 O O . MET A 15 ? 0.6904 0.6623 1.1378 -0.0334 0.0550 0.0667 252 MET A O 104 C CB . MET A 15 ? 0.7187 0.7162 1.1326 -0.0262 0.0493 0.1249 252 MET A CB 105 C CG . MET A 15 ? 0.6732 0.6797 1.0587 -0.0201 0.0557 0.1517 252 MET A CG 106 S SD . MET A 15 ? 1.7686 1.7847 2.1838 -0.0173 0.0516 0.1657 252 MET A SD 107 C CE . MET A 15 ? 1.3178 1.3301 1.7878 -0.0168 0.0412 0.1696 252 MET A CE 108 N N . ILE A 16 ? 0.7761 0.7775 1.2636 -0.0230 0.0473 0.1062 253 ILE A N 109 C CA . ILE A 16 ? 0.5595 0.5540 1.0957 -0.0186 0.0542 0.0891 253 ILE A CA 110 C C . ILE A 16 ? 0.5945 0.5658 1.1557 -0.0142 0.0605 0.0787 253 ILE A C 111 O O . ILE A 16 ? 0.5880 0.5381 1.1531 -0.0165 0.0753 0.0481 253 ILE A O 112 C CB . ILE A 16 ? 0.7748 0.8008 1.3541 -0.0089 0.0437 0.1158 253 ILE A CB 113 C CG1 . ILE A 16 ? 0.6768 0.6968 1.3236 0.0000 0.0586 0.1026 253 ILE A CG1 114 C CG2 . ILE A 16 ? 0.7814 0.8181 1.3826 -0.0021 0.0294 0.1593 253 ILE A CG2 115 C CD1 . ILE A 16 ? 0.5962 0.5995 1.2147 -0.0077 0.0775 0.0594 253 ILE A CD1 116 N N . ALA A 17 ? 0.7080 0.6837 1.2763 -0.0117 0.0520 0.1021 254 ALA A N 117 C CA . ALA A 17 ? 0.6485 0.6061 1.2389 -0.0133 0.0574 0.0948 254 ALA A CA 118 C C . ALA A 17 ? 0.4355 0.3674 0.9845 -0.0311 0.0597 0.0624 254 ALA A C 119 O O . ALA A 17 ? 0.7326 0.6389 1.2912 -0.0389 0.0675 0.0468 254 ALA A O 120 C CB . ALA A 17 ? 0.5344 0.5066 1.1422 -0.0083 0.0488 0.1290 254 ALA A CB 121 N N . ARG A 18 ? 0.7166 0.6539 1.2179 -0.0402 0.0533 0.0542 255 ARG A N 122 C CA . ARG A 18 ? 0.8202 0.7401 1.2839 -0.0611 0.0493 0.0316 255 ARG A CA 123 C C . ARG A 18 ? 0.6987 0.5947 1.1276 -0.0702 0.0605 -0.0043 255 ARG A C 124 O O . ARG A 18 ? 0.8642 0.7615 1.3023 -0.0581 0.0738 -0.0124 255 ARG A O 125 C CB . ARG A 18 ? 0.5079 0.4516 0.9482 -0.0649 0.0377 0.0501 255 ARG A CB 126 C CG . ARG A 18 ? 0.8676 0.8348 1.3317 -0.0512 0.0339 0.0866 255 ARG A CG 127 C CD . ARG A 18 ? 0.8853 0.8726 1.3334 -0.0543 0.0285 0.1046 255 ARG A CD 128 N NE . ARG A 18 ? 1.0733 1.0552 1.5116 -0.0768 0.0177 0.0885 255 ARG A NE 129 C CZ . ARG A 18 ? 1.0825 1.0803 1.5374 -0.0882 0.0047 0.1042 255 ARG A CZ 130 N NH1 . ARG A 18 ? 0.5986 0.6146 1.0804 -0.0744 0.0065 0.1339 255 ARG A NH1 131 N NH2 . ARG A 18 ? 1.6373 1.6339 2.0811 -0.1151 -0.0108 0.0914 255 ARG A NH2 132 N N . THR A 19 ? 0.5374 0.4135 0.9257 -0.0938 0.0541 -0.0236 256 THR A N 133 C CA . THR A 19 ? 0.7849 0.6283 1.1287 -0.1050 0.0669 -0.0590 256 THR A CA 134 C C . THR A 19 ? 0.9488 0.7948 1.2429 -0.1218 0.0558 -0.0657 256 THR A C 135 O O . THR A 19 ? 1.2680 1.1052 1.5383 -0.1489 0.0379 -0.0686 256 THR A O 136 C CB . THR A 19 ? 0.8041 0.6042 1.1335 -0.1235 0.0729 -0.0805 256 THR A CB 137 O OG1 . THR A 19 ? 0.7406 0.5362 1.1232 -0.1044 0.0917 -0.0748 256 THR A OG1 138 C CG2 . THR A 19 ? 0.7300 0.4922 0.9981 -0.1374 0.0859 -0.1147 256 THR A CG2 139 N N . PRO A 20 ? 1.1466 1.0061 1.4282 -0.1083 0.0659 -0.0665 257 PRO A N 140 C CA . PRO A 20 ? 1.0011 0.8622 1.2401 -0.1207 0.0619 -0.0703 257 PRO A CA 141 C C . PRO A 20 ? 0.7326 0.5542 0.9075 -0.1394 0.0679 -0.1045 257 PRO A C 142 O O . PRO A 20 ? 0.6698 0.4689 0.8340 -0.1310 0.0871 -0.1248 257 PRO A O 143 C CB . PRO A 20 ? 0.8978 0.7774 1.1370 -0.0982 0.0776 -0.0632 257 PRO A CB 144 C CG . PRO A 20 ? 0.7949 0.6717 1.0670 -0.0830 0.0913 -0.0719 257 PRO A CG 145 C CD . PRO A 20 ? 0.9504 0.8250 1.2616 -0.0838 0.0818 -0.0619 257 PRO A CD 146 N N . GLU A 21 ? 0.6256 0.4451 0.7581 -0.1636 0.0507 -0.1047 258 GLU A N 147 C CA . GLU A 21 ? 0.9009 0.6776 0.9612 -0.1859 0.0541 -0.1359 258 GLU A CA 148 C C . GLU A 21 ? 0.9203 0.7095 0.9217 -0.1991 0.0373 -0.1255 258 GLU A C 149 O O . GLU A 21 ? 1.2955 1.1303 1.3138 -0.2008 0.0070 -0.0889 258 GLU A O 150 C CB . GLU A 21 ? 0.8584 0.6089 0.9116 -0.2087 0.0396 -0.1470 258 GLU A CB 151 C CG . GLU A 21 ? 1.2806 1.0597 1.3720 -0.2339 0.0046 -0.1227 258 GLU A CG 152 C CD . GLU A 21 ? 1.4395 1.1905 1.5422 -0.2484 -0.0029 -0.1316 258 GLU A CD 153 O OE1 . GLU A 21 ? 1.3615 1.1346 1.5226 -0.2462 -0.0123 -0.1081 258 GLU A OE1 154 O OE2 . GLU A 21 ? 1.0160 0.7213 1.0657 -0.2623 0.0047 -0.1610 258 GLU A OE2 155 N N . VAL A 22 ? 0.8162 0.5699 0.7523 -0.2026 0.0581 -0.1508 259 VAL A N 156 C CA . VAL A 22 ? 1.1030 0.8666 0.9744 -0.2113 0.0419 -0.1362 259 VAL A CA 157 C C . VAL A 22 ? 1.1123 0.8432 0.9158 -0.2568 0.0172 -0.1531 259 VAL A C 158 O O . VAL A 22 ? 1.5032 1.1923 1.2859 -0.2644 0.0336 -0.1838 259 VAL A O 159 C CB . VAL A 22 ? 0.9356 0.6798 0.7647 -0.1925 0.0762 -0.1483 259 VAL A CB 160 C CG1 . VAL A 22 ? 0.6552 0.4104 0.5448 -0.1610 0.1066 -0.1514 259 VAL A CG1 161 C CG2 . VAL A 22 ? 1.0731 0.7660 0.8327 -0.2083 0.0948 -0.1814 259 VAL A CG2 162 N N . THR A 23 ? 1.0477 0.8194 0.8334 -0.2708 -0.0240 -0.1177 260 THR A N 163 C CA . THR A 23 ? 1.1381 0.8904 0.8566 -0.3207 -0.0591 -0.1261 260 THR A CA 164 C C . THR A 23 ? 1.2316 0.9725 0.8576 -0.3302 -0.0655 -0.1200 260 THR A C 165 O O . THR A 23 ? 1.3600 1.1416 1.0016 -0.2987 -0.0641 -0.0832 260 THR A O 166 C CB . THR A 23 ? 1.1998 1.0204 0.9777 -0.3334 -0.1097 -0.0807 260 THR A CB 167 O OG1 . THR A 23 ? 1.2018 1.0692 1.0819 -0.2908 -0.0965 -0.0522 260 THR A OG1 168 C CG2 . THR A 23 ? 1.3780 1.1670 1.1412 -0.3837 -0.1316 -0.1073 260 THR A CG2 169 N N . CYS A 24 ? 1.4819 1.1625 1.0092 -0.3721 -0.0677 -0.1547 261 CYS A N 170 C CA . CYS A 24 ? 1.4773 1.1424 0.9042 -0.3875 -0.0776 -0.1469 261 CYS A CA 171 C C . CYS A 24 ? 1.6961 1.3849 1.0814 -0.4340 -0.1369 -0.1242 261 CYS A C 172 O O . CYS A 24 ? 2.0641 1.7074 1.3938 -0.4575 -0.1285 -0.1492 261 CYS A O 173 C CB . CYS A 24 ? 1.3978 0.9980 0.7777 -0.3721 -0.0199 -0.1837 261 CYS A CB 174 S SG . CYS A 24 ? 1.6651 1.2393 0.9355 -0.3792 -0.0149 -0.1728 261 CYS A SG 175 N N . VAL A 25 ? 1.5329 1.3043 0.9667 -0.4373 -0.1913 -0.0676 262 VAL A N 176 C CA . VAL A 25 ? 1.6101 1.4202 1.0163 -0.4845 -0.2564 -0.0367 262 VAL A CA 177 C C . VAL A 25 ? 1.5624 1.3470 0.8569 -0.5005 -0.2640 -0.0288 262 VAL A C 178 O O . VAL A 25 ? 1.3389 1.1211 0.6019 -0.4739 -0.2465 -0.0155 262 VAL A O 179 C CB . VAL A 25 ? 1.5184 1.4412 1.0406 -0.4657 -0.3026 0.0371 262 VAL A CB 180 C CG1 . VAL A 25 ? 1.2402 1.2186 0.7359 -0.5053 -0.3706 0.0859 262 VAL A CG1 181 C CG2 . VAL A 25 ? 1.1716 1.1169 0.8013 -0.4600 -0.2993 0.0315 262 VAL A CG2 182 N N . VAL A 26 ? 1.6564 1.5473 1.0428 -0.4415 -0.4891 -0.2002 263 VAL A N 183 C CA . VAL A 26 ? 1.6657 1.5792 1.0625 -0.4212 -0.5188 -0.2058 263 VAL A CA 184 C C . VAL A 26 ? 1.9004 1.8513 1.3195 -0.4378 -0.5276 -0.2484 263 VAL A C 185 O O . VAL A 26 ? 1.8116 1.7413 1.2052 -0.4508 -0.5173 -0.2600 263 VAL A O 186 C CB . VAL A 26 ? 1.6751 1.5450 1.0264 -0.4058 -0.5177 -0.1826 263 VAL A CB 187 C CG1 . VAL A 26 ? 1.6558 1.5103 0.9959 -0.3788 -0.5265 -0.1434 263 VAL A CG1 188 C CG2 . VAL A 26 ? 2.1301 1.9492 1.4390 -0.4198 -0.4879 -0.1730 263 VAL A CG2 189 N N . VAL A 27 ? 2.0013 2.0087 1.4709 -0.4324 -0.5452 -0.2712 264 VAL A N 190 C CA . VAL A 27 ? 1.9048 1.9562 1.4102 -0.4351 -0.5482 -0.3100 264 VAL A CA 191 C C . VAL A 27 ? 2.2405 2.2992 1.7483 -0.4071 -0.5708 -0.3071 264 VAL A C 192 O O . VAL A 27 ? 2.2744 2.3282 1.7818 -0.3793 -0.5873 -0.2803 264 VAL A O 193 C CB . VAL A 27 ? 1.7431 1.8537 1.3090 -0.4316 -0.5503 -0.3361 264 VAL A CB 194 C CG1 . VAL A 27 ? 1.7384 1.8367 1.2974 -0.4507 -0.5317 -0.3247 264 VAL A CG1 195 C CG2 . VAL A 27 ? 1.6361 1.7825 1.2413 -0.3933 -0.5767 -0.3331 264 VAL A CG2 196 N N . ASP A 28 ? 2.5355 2.6025 2.0425 -0.4153 -0.5698 -0.3323 265 ASP A N 197 C CA . ASP A 28 ? 2.6511 2.7307 2.1631 -0.3901 -0.5902 -0.3338 265 ASP A CA 198 C C . ASP A 28 ? 2.7435 2.7733 2.2031 -0.3785 -0.5959 -0.2988 265 ASP A C 199 O O . ASP A 28 ? 2.6256 2.6584 2.0893 -0.3499 -0.6123 -0.2745 265 ASP A O 200 C CB . ASP A 28 ? 2.5317 2.6652 2.0971 -0.3588 -0.6110 -0.3409 265 ASP A CB 201 C CG . ASP A 28 ? 2.4221 2.6115 2.0426 -0.3621 -0.6112 -0.3821 265 ASP A CG 202 O OD1 . ASP A 28 ? 2.3928 2.5897 2.0298 -0.3719 -0.6024 -0.3850 265 ASP A OD1 203 O OD2 . ASP A 28 ? 2.4339 2.6592 2.0819 -0.3513 -0.6228 -0.4106 265 ASP A OD2 204 N N . VAL A 29 ? 2.7999 2.7863 2.2113 -0.3985 -0.5827 -0.2979 266 VAL A N 205 C CA . VAL A 29 ? 2.8621 2.8168 2.2328 -0.3827 -0.5922 -0.2778 266 VAL A CA 206 C C . VAL A 29 ? 2.8335 2.8083 2.2138 -0.3879 -0.5948 -0.3109 266 VAL A C 207 O O . VAL A 29 ? 2.9580 2.9558 2.3629 -0.4085 -0.5844 -0.3428 266 VAL A O 208 C CB . VAL A 29 ? 2.7486 2.6427 2.0633 -0.3935 -0.5711 -0.2554 266 VAL A CB 209 C CG1 . VAL A 29 ? 2.8398 2.7078 2.1208 -0.3695 -0.5777 -0.2276 266 VAL A CG1 210 C CG2 . VAL A 29 ? 2.7138 2.6003 2.0367 -0.4030 -0.5541 -0.2435 266 VAL A CG2 211 N N . SER A 30 ? 2.7437 2.7098 2.1036 -0.3714 -0.6066 -0.3047 267 SER A N 212 C CA . SER A 30 ? 2.5824 2.5764 1.9597 -0.3739 -0.6114 -0.3392 267 SER A CA 213 C C . SER A 30 ? 2.8687 2.8150 2.1917 -0.3892 -0.6008 -0.3413 267 SER A C 214 O O . SER A 30 ? 2.9836 2.8829 2.2571 -0.3832 -0.5987 -0.3114 267 SER A O 215 C CB . SER A 30 ? 2.3737 2.4018 1.7731 -0.3420 -0.6340 -0.3356 267 SER A CB 216 O OG . SER A 30 ? 2.2895 2.2801 1.6426 -0.3271 -0.6393 -0.3051 267 SER A OG 217 N N . HIS A 31 ? 2.9697 2.9265 2.2994 -0.4059 -0.5947 -0.3752 268 HIS A N 218 C CA . HIS A 31 ? 2.9980 2.9044 2.2730 -0.4200 -0.5839 -0.3774 268 HIS A CA 219 C C . HIS A 31 ? 2.9561 2.8351 2.1897 -0.3936 -0.5975 -0.3504 268 HIS A C 220 O O . HIS A 31 ? 2.9416 2.7679 2.1243 -0.3938 -0.5845 -0.3318 268 HIS A O 221 C CB . HIS A 31 ? 3.0277 2.9562 2.3217 -0.4351 -0.5803 -0.4170 268 HIS A CB 222 C CG . HIS A 31 ? 3.0951 3.0434 2.4212 -0.4635 -0.5633 -0.4431 268 HIS A CG 223 N ND1 . HIS A 31 ? 3.1994 3.1069 2.4942 -0.4957 -0.5396 -0.4518 268 HIS A ND1 224 C CD2 . HIS A 31 ? 3.1214 3.1268 2.5089 -0.4627 -0.5673 -0.4630 268 HIS A CD2 225 C CE1 . HIS A 31 ? 3.1165 3.0574 2.4528 -0.5149 -0.5288 -0.4736 268 HIS A CE1 226 N NE2 . HIS A 31 ? 2.9884 2.9875 2.3797 -0.4945 -0.5455 -0.4796 268 HIS A NE2 227 N N . GLU A 32 ? 2.7819 2.7026 2.0460 -0.3664 -0.6183 -0.3488 269 GLU A N 228 C CA . GLU A 32 ? 2.8127 2.7236 2.0513 -0.3371 -0.6327 -0.3210 269 GLU A CA 229 C C . GLU A 32 ? 3.0544 2.9127 2.2394 -0.3313 -0.6258 -0.2827 269 GLU A C 230 O O . GLU A 32 ? 2.8492 2.6714 1.9893 -0.3245 -0.6179 -0.2724 269 GLU A O 231 C CB . GLU A 32 ? 2.6865 2.6493 1.9743 -0.3110 -0.6509 -0.3112 269 GLU A CB 232 C CG . GLU A 32 ? 2.5440 2.5601 1.8733 -0.3009 -0.6643 -0.3383 269 GLU A CG 233 C CD . GLU A 32 ? 2.3806 2.4240 1.7405 -0.3236 -0.6573 -0.3835 269 GLU A CD 234 O OE1 . GLU A 32 ? 2.4189 2.4418 1.7721 -0.3493 -0.6411 -0.3958 269 GLU A OE1 235 O OE2 . GLU A 32 ? 2.1569 2.2451 1.5479 -0.3163 -0.6669 -0.4063 269 GLU A OE2 236 N N . ASP A 33 ? 3.2083 3.0692 2.4077 -0.3291 -0.6239 -0.2618 270 ASP A N 237 C CA . ASP A 33 ? 3.2412 3.0663 2.4098 -0.3172 -0.6101 -0.2226 270 ASP A CA 238 C C . ASP A 33 ? 3.1998 3.0070 2.3748 -0.3380 -0.5861 -0.2231 270 ASP A C 239 O O . ASP A 33 ? 3.2078 3.0393 2.4164 -0.3398 -0.5919 -0.2193 270 ASP A O 240 C CB . ASP A 33 ? 3.2034 3.0508 2.3846 -0.2911 -0.6315 -0.1909 270 ASP A CB 241 C CG . ASP A 33 ? 3.2708 3.1287 2.4405 -0.2652 -0.6433 -0.1777 270 ASP A CG 242 O OD1 . ASP A 33 ? 3.2849 3.1221 2.4196 -0.2683 -0.6408 -0.1898 270 ASP A OD1 243 O OD2 . ASP A 33 ? 3.3256 3.2120 2.5209 -0.2420 -0.6538 -0.1546 270 ASP A OD2 244 N N . PRO A 34 ? 3.1956 2.9587 2.3367 -0.3534 -0.5600 -0.2275 271 PRO A N 245 C CA . PRO A 34 ? 3.1720 2.9149 2.3152 -0.3785 -0.5358 -0.2335 271 PRO A CA 246 C C . PRO A 34 ? 3.2547 2.9675 2.3802 -0.3711 -0.5195 -0.1993 271 PRO A C 247 O O . PRO A 34 ? 3.0147 2.7262 2.1557 -0.3877 -0.5060 -0.2004 271 PRO A O 248 C CB . PRO A 34 ? 3.1746 2.8834 2.2880 -0.4000 -0.5197 -0.2578 271 PRO A CB 249 C CG . PRO A 34 ? 3.1747 2.8654 2.2532 -0.3775 -0.5274 -0.2477 271 PRO A CG 250 C CD . PRO A 34 ? 3.0928 2.8264 2.1942 -0.3510 -0.5551 -0.2352 271 PRO A CD 251 N N . GLU A 35 ? 3.3939 3.0876 2.4884 -0.3447 -0.5225 -0.1691 272 GLU A N 252 C CA . GLU A 35 ? 3.3077 2.9606 2.3686 -0.3361 -0.5033 -0.1382 272 GLU A CA 253 C C . GLU A 35 ? 3.1482 2.8192 2.2316 -0.3247 -0.5078 -0.1102 272 GLU A C 254 O O . GLU A 35 ? 3.1101 2.8187 2.2196 -0.3094 -0.5312 -0.1011 272 GLU A O 255 C CB . GLU A 35 ? 3.5590 3.1897 2.5772 -0.3117 -0.5054 -0.1193 272 GLU A CB 256 C CG . GLU A 35 ? 3.9870 3.5942 2.9774 -0.2906 -0.4954 -0.0781 272 GLU A CG 257 C CD . GLU A 35 ? 4.0893 3.6481 3.0246 -0.2823 -0.4795 -0.0724 272 GLU A CD 258 O OE1 . GLU A 35 ? 4.1040 3.6328 3.0266 -0.3044 -0.4658 -0.0981 272 GLU A OE1 259 O OE2 . GLU A 35 ? 4.2306 3.7832 3.1366 -0.2558 -0.4817 -0.0452 272 GLU A OE2 260 N N . VAL A 36 ? 3.1508 2.7943 2.2250 -0.3340 -0.4861 -0.0982 273 VAL A N 261 C CA . VAL A 36 ? 2.8952 2.5528 1.9908 -0.3264 -0.4877 -0.0736 273 VAL A CA 262 C C . VAL A 36 ? 2.6853 2.2997 1.7457 -0.3199 -0.4649 -0.0437 273 VAL A C 263 O O . VAL A 36 ? 2.9578 2.5345 1.9956 -0.3369 -0.4420 -0.0520 273 VAL A O 264 C CB . VAL A 36 ? 2.3484 2.0342 1.4893 -0.3493 -0.4873 -0.0959 273 VAL A CB 265 C CG1 . VAL A 36 ? 2.2906 2.0216 1.4723 -0.3351 -0.5123 -0.0865 273 VAL A CG1 266 C CG2 . VAL A 36 ? 2.3412 2.0410 1.4968 -0.3741 -0.4877 -0.1383 273 VAL A CG2 267 N N . LYS A 37 ? 2.0254 1.6989 1.1626 -0.1613 -0.2652 -0.1934 274 LYS A N 268 C CA . LYS A 37 ? 2.2205 1.8504 1.3716 -0.1513 -0.2105 -0.2040 274 LYS A CA 269 C C . LYS A 37 ? 2.2341 1.8673 1.4568 -0.1384 -0.1809 -0.1589 274 LYS A C 270 O O . LYS A 37 ? 2.2647 1.9224 1.4829 -0.1243 -0.1783 -0.1158 274 LYS A O 271 C CB . LYS A 37 ? 2.3457 1.9809 1.4384 -0.1312 -0.1733 -0.2112 274 LYS A CB 272 C CG . LYS A 37 ? 2.2584 1.8613 1.3739 -0.1161 -0.1189 -0.2057 274 LYS A CG 273 C CD . LYS A 37 ? 2.3376 1.9597 1.4066 -0.0966 -0.0864 -0.2030 274 LYS A CD 274 C CE . LYS A 37 ? 2.3090 1.9703 1.3262 -0.0903 -0.1011 -0.1612 274 LYS A CE 275 N NZ . LYS A 37 ? 2.1124 1.7717 1.1412 -0.0741 -0.0664 -0.1155 274 LYS A NZ 276 N N . PHE A 38 ? 2.1014 1.7118 1.3926 -0.1437 -0.1579 -0.1686 275 PHE A N 277 C CA . PHE A 38 ? 1.9741 1.5961 1.3375 -0.1351 -0.1313 -0.1325 275 PHE A CA 278 C C . PHE A 38 ? 2.1513 1.7451 1.5027 -0.1203 -0.0811 -0.1284 275 PHE A C 279 O O . PHE A 38 ? 2.3823 1.9479 1.7584 -0.1258 -0.0621 -0.1476 275 PHE A O 280 C CB . PHE A 38 ? 1.8494 1.4809 1.3049 -0.1537 -0.1416 -0.1370 275 PHE A CB 281 C CG . PHE A 38 ? 2.0825 1.7522 1.5743 -0.1669 -0.1879 -0.1337 275 PHE A CG 282 C CD1 . PHE A 38 ? 2.4640 2.1611 1.9151 -0.1592 -0.2185 -0.1180 275 PHE A CD1 283 C CD2 . PHE A 38 ? 2.2450 1.9267 1.8151 -0.1879 -0.2017 -0.1431 275 PHE A CD2 284 C CE1 . PHE A 38 ? 2.7258 2.4623 2.2190 -0.1706 -0.2647 -0.1132 275 PHE A CE1 285 C CE2 . PHE A 38 ? 2.4629 2.1838 2.0763 -0.2005 -0.2440 -0.1412 275 PHE A CE2 286 C CZ . PHE A 38 ? 2.7285 2.4772 2.3054 -0.1910 -0.2769 -0.1270 275 PHE A CZ 287 N N . ASN A 39 ? 2.2114 1.8141 1.5302 -0.1019 -0.0611 -0.1006 276 ASN A N 288 C CA . ASN A 39 ? 2.1569 1.7417 1.4768 -0.0878 -0.0145 -0.0923 276 ASN A CA 289 C C . ASN A 39 ? 2.1129 1.7202 1.5156 -0.0855 0.0015 -0.0641 276 ASN A C 290 O O . ASN A 39 ? 1.9440 1.5797 1.3720 -0.0791 -0.0048 -0.0349 276 ASN A O 291 C CB . ASN A 39 ? 2.2212 1.8039 1.4653 -0.0716 0.0032 -0.0797 276 ASN A CB 292 C CG . ASN A 39 ? 2.3195 1.8970 1.5011 -0.0721 -0.0038 -0.1120 276 ASN A CG 293 O OD1 . ASN A 39 ? 2.2530 1.8569 1.3882 -0.0655 -0.0106 -0.1003 276 ASN A OD1 294 N ND2 . ASN A 39 ? 2.3643 1.9216 1.5676 -0.0789 -0.0017 -0.1499 276 ASN A ND2 295 N N . TRP A 40 ? 1.9933 1.5899 1.4413 -0.0919 0.0208 -0.0736 277 TRP A N 296 C CA . TRP A 40 ? 1.7098 1.3329 1.2305 -0.0929 0.0385 -0.0538 277 TRP A CA 297 C C . TRP A 40 ? 1.7442 1.3610 1.2547 -0.0769 0.0778 -0.0424 277 TRP A C 298 O O . TRP A 40 ? 2.1328 1.7201 1.5982 -0.0691 0.0957 -0.0544 277 TRP A O 299 C CB . TRP A 40 ? 1.5661 1.1893 1.1386 -0.1114 0.0370 -0.0647 277 TRP A CB 300 C CG . TRP A 40 ? 1.7246 1.3647 1.3280 -0.1292 0.0009 -0.0718 277 TRP A CG 301 C CD1 . TRP A 40 ? 1.9786 1.5988 1.5526 -0.1394 -0.0294 -0.0946 277 TRP A CD1 302 C CD2 . TRP A 40 ? 1.4204 1.1048 1.0949 -0.1395 -0.0089 -0.0593 277 TRP A CD2 303 N NE1 . TRP A 40 ? 1.7439 1.3938 1.3687 -0.1562 -0.0594 -0.0943 277 TRP A NE1 304 C CE2 . TRP A 40 ? 1.4516 1.1417 1.1397 -0.1557 -0.0462 -0.0722 277 TRP A CE2 305 C CE3 . TRP A 40 ? 1.2066 0.9294 0.9384 -0.1372 0.0112 -0.0429 277 TRP A CE3 306 C CZ2 . TRP A 40 ? 1.5986 1.3324 1.3587 -0.1687 -0.0625 -0.0659 277 TRP A CZ2 307 C CZ3 . TRP A 40 ? 1.1871 0.9522 0.9870 -0.1495 -0.0031 -0.0402 277 TRP A CZ3 308 C CH2 . TRP A 40 ? 1.5664 1.3375 1.3820 -0.1647 -0.0392 -0.0500 277 TRP A CH2 309 N N . TYR A 41 ? 1.3738 1.0203 0.9314 -0.0719 0.0914 -0.0219 278 TYR A N 310 C CA . TYR A 41 ? 1.3971 1.0432 0.9543 -0.0584 0.1268 -0.0113 278 TYR A CA 311 C C . TYR A 41 ? 1.3810 1.0607 1.0117 -0.0653 0.1415 -0.0071 278 TYR A C 312 O O . TYR A 41 ? 1.4115 1.1218 1.0933 -0.0726 0.1278 -0.0032 278 TYR A O 313 C CB . TYR A 41 ? 1.6769 1.3264 1.2113 -0.0441 0.1288 0.0101 278 TYR A CB 314 C CG . TYR A 41 ? 1.9355 1.5616 1.3866 -0.0384 0.1166 0.0087 278 TYR A CG 315 C CD1 . TYR A 41 ? 2.0740 1.6993 1.4975 -0.0473 0.0791 -0.0004 278 TYR A CD1 316 C CD2 . TYR A 41 ? 1.8849 1.5133 1.3200 -0.0244 0.1346 0.0144 278 TYR A CD2 317 C CE1 . TYR A 41 ? 1.9868 1.5981 1.3280 -0.0443 0.0672 -0.0056 278 TYR A CE1 318 C CE2 . TYR A 41 ? 2.0975 1.7235 1.4729 -0.0208 0.1231 0.0113 278 TYR A CE2 319 C CZ . TYR A 41 ? 2.2231 1.8349 1.5357 -0.0311 0.0923 0.0008 278 TYR A CZ 320 O OH . TYR A 41 ? 2.3710 1.9918 1.6274 -0.0291 0.0800 -0.0056 278 TYR A OH 321 N N . VAL A 42 ? 1.3248 1.0054 0.9662 -0.0631 0.1675 -0.0100 279 VAL A N 322 C CA . VAL A 42 ? 1.2809 1.0068 0.9955 -0.0685 0.1746 -0.0102 279 VAL A CA 323 C C . VAL A 42 ? 1.6215 1.3739 1.3791 -0.0505 0.1775 -0.0080 279 VAL A C 324 O O . VAL A 42 ? 1.5677 1.3148 1.3250 -0.0415 0.1750 -0.0092 279 VAL A O 325 C CB . VAL A 42 ? 1.1803 0.9109 0.9085 -0.0816 0.1724 -0.0165 279 VAL A CB 326 C CG1 . VAL A 42 ? 1.2449 1.0328 1.0399 -0.0826 0.1718 -0.0175 279 VAL A CG1 327 C CG2 . VAL A 42 ? 0.9772 0.6918 0.6908 -0.1023 0.1565 -0.0197 279 VAL A CG2 328 N N . ASP A 43 ? 1.5639 1.3417 1.3598 -0.0485 0.1845 -0.0050 280 ASP A N 329 C CA . ASP A 43 ? 1.2261 1.0176 1.0524 -0.0353 0.1879 -0.0026 280 ASP A CA 330 C C . ASP A 43 ? 1.4907 1.2520 1.2752 -0.0223 0.1893 0.0074 280 ASP A C 331 O O . ASP A 43 ? 1.8780 1.6443 1.6769 -0.0137 0.1902 0.0083 280 ASP A O 332 C CB . ASP A 43 ? 1.0310 0.8508 0.8902 -0.0357 0.1786 -0.0104 280 ASP A CB 333 C CG . ASP A 43 ? 1.3851 1.2451 1.2915 -0.0432 0.1777 -0.0190 280 ASP A CG 334 O OD1 . ASP A 43 ? 1.4369 1.3027 1.3655 -0.0462 0.1882 -0.0218 280 ASP A OD1 335 O OD2 . ASP A 43 ? 1.6605 1.5411 1.5804 -0.0470 0.1715 -0.0243 280 ASP A OD2 336 N N . GLY A 44 ? 1.4428 1.1750 1.1712 -0.0232 0.1875 0.0150 281 GLY A N 337 C CA . GLY A 44 ? 1.6916 1.4032 1.3736 -0.0127 0.1862 0.0233 281 GLY A CA 338 C C . GLY A 44 ? 1.8150 1.5088 1.4634 -0.0129 0.1799 0.0107 281 GLY A C 339 O O . GLY A 44 ? 2.1474 1.8211 1.7391 -0.0109 0.1752 0.0110 281 GLY A O 340 N N . VAL A 45 ? 1.8410 1.5435 1.5242 -0.0158 0.1798 0.0008 282 VAL A N 341 C CA . VAL A 45 ? 1.9386 1.6192 1.5994 -0.0166 0.1793 -0.0083 282 VAL A CA 342 C C . VAL A 45 ? 1.9550 1.6039 1.5626 -0.0270 0.1726 -0.0176 282 VAL A C 343 O O . VAL A 45 ? 2.1401 1.7872 1.7538 -0.0406 0.1693 -0.0207 282 VAL A O 344 C CB . VAL A 45 ? 1.2702 0.9643 0.9751 -0.0212 0.1799 -0.0110 282 VAL A CB 345 C CG1 . VAL A 45 ? 1.3127 0.9737 0.9925 -0.0249 0.1845 -0.0178 282 VAL A CG1 346 C CG2 . VAL A 45 ? 0.8692 0.5962 0.6226 -0.0140 0.1800 -0.0062 282 VAL A CG2 347 N N . GLU A 46 ? 1.7637 1.3911 1.3180 -0.0229 0.1691 -0.0253 283 GLU A N 348 C CA . GLU A 46 ? 1.8753 1.4728 1.3753 -0.0335 0.1551 -0.0420 283 GLU A CA 349 C C . GLU A 46 ? 1.9348 1.5104 1.4489 -0.0441 0.1568 -0.0553 283 GLU A C 350 O O . GLU A 46 ? 1.8163 1.3891 1.3538 -0.0380 0.1694 -0.0556 283 GLU A O 351 C CB . GLU A 46 ? 1.8304 1.4193 1.2776 -0.0265 0.1496 -0.0545 283 GLU A CB 352 C CG . GLU A 46 ? 1.9075 1.4731 1.3007 -0.0379 0.1257 -0.0779 283 GLU A CG 353 C CD . GLU A 46 ? 2.0119 1.5856 1.3505 -0.0318 0.1185 -0.0886 283 GLU A CD 354 O OE1 . GLU A 46 ? 1.8196 1.4170 1.1576 -0.0202 0.1332 -0.0718 283 GLU A OE1 355 O OE2 . GLU A 46 ? 1.9351 1.4962 1.2351 -0.0405 0.0974 -0.1155 283 GLU A OE2 356 N N . VAL A 47 ? 2.0893 1.6488 1.5909 -0.0616 0.1434 -0.0653 284 VAL A N 357 C CA . VAL A 47 ? 1.8956 1.4297 1.4154 -0.0754 0.1409 -0.0784 284 VAL A CA 358 C C . VAL A 47 ? 2.2404 1.7434 1.7339 -0.0841 0.1147 -0.1058 284 VAL A C 359 O O . VAL A 47 ? 2.0835 1.5910 1.5400 -0.0852 0.0945 -0.1141 284 VAL A O 360 C CB . VAL A 47 ? 1.7921 1.3629 1.3743 -0.0924 0.1335 -0.0603 284 VAL A CB 361 C CG1 . VAL A 47 ? 1.7025 1.2955 1.3177 -0.0891 0.1605 -0.0428 284 VAL A CG1 362 C CG2 . VAL A 47 ? 1.7994 1.4041 1.3914 -0.0952 0.1187 -0.0518 284 VAL A CG2 363 N N . HIS A 48 ? 2.6143 2.0906 2.1341 -0.0905 0.1129 -0.1177 285 HIS A N 364 C CA . HIS A 48 ? 2.5857 2.0386 2.0960 -0.0952 0.0912 -0.1476 285 HIS A CA 365 C C . HIS A 48 ? 2.4096 1.8444 1.9705 -0.1185 0.0718 -0.1516 285 HIS A C 366 O O . HIS A 48 ? 2.3243 1.7403 1.8940 -0.1243 0.0529 -0.1780 285 HIS A O 367 C CB . HIS A 48 ? 2.7175 2.1624 2.2253 -0.0752 0.1079 -0.1615 285 HIS A CB 368 C CG . HIS A 48 ? 2.7100 2.1818 2.1836 -0.0558 0.1261 -0.1525 285 HIS A CG 369 N ND1 . HIS A 48 ? 2.7605 2.2425 2.1878 -0.0494 0.1185 -0.1712 285 HIS A ND1 370 C CD2 . HIS A 48 ? 2.6954 2.1908 2.1826 -0.0438 0.1493 -0.1249 285 HIS A CD2 371 C CE1 . HIS A 48 ? 2.7221 2.2311 2.1384 -0.0348 0.1370 -0.1528 285 HIS A CE1 372 N NE2 . HIS A 48 ? 2.6453 2.1622 2.1024 -0.0313 0.1541 -0.1253 285 HIS A NE2 373 N N . ASN A 49 ? 2.1769 1.6329 1.7836 -0.1313 0.0761 -0.1220 286 ASN A N 374 C CA . ASN A 49 ? 1.9092 1.3662 1.5743 -0.1565 0.0583 -0.1140 286 ASN A CA 375 C C . ASN A 49 ? 1.7366 1.2258 1.4121 -0.1735 0.0310 -0.1162 286 ASN A C 376 O O . ASN A 49 ? 1.4837 1.0010 1.2131 -0.1941 0.0238 -0.0980 286 ASN A O 377 C CB . ASN A 49 ? 1.7705 1.2528 1.4842 -0.1627 0.0766 -0.0767 286 ASN A CB 378 C CG . ASN A 49 ? 1.9190 1.4322 1.6129 -0.1440 0.1032 -0.0600 286 ASN A CG 379 O OD1 . ASN A 49 ? 2.0541 1.5468 1.7094 -0.1222 0.1186 -0.0716 286 ASN A OD1 380 N ND2 . ASN A 49 ? 1.7695 1.3348 1.4929 -0.1537 0.1102 -0.0358 286 ASN A ND2 381 N N . ALA A 50 ? 1.7004 1.1898 1.3249 -0.1648 0.0162 -0.1370 287 ALA A N 382 C CA . ALA A 50 ? 1.7848 1.3022 1.4174 -0.1784 -0.0156 -0.1420 287 ALA A CA 383 C C . ALA A 50 ? 1.8460 1.3490 1.5275 -0.2050 -0.0390 -0.1555 287 ALA A C 384 O O . ALA A 50 ? 2.0061 1.4636 1.6941 -0.2094 -0.0366 -0.1730 287 ALA A O 385 C CB . ALA A 50 ? 1.8724 1.3827 1.4332 -0.1662 -0.0317 -0.1646 287 ALA A CB 386 N N . LYS A 51 ? 1.8242 1.3661 1.5490 -0.2231 -0.0609 -0.1475 288 LYS A N 387 C CA . LYS A 51 ? 1.6969 1.2287 1.4691 -0.2506 -0.0869 -0.1627 288 LYS A CA 388 C C . LYS A 51 ? 1.7357 1.2974 1.5041 -0.2585 -0.1246 -0.1783 288 LYS A C 389 O O . LYS A 51 ? 1.9373 1.5418 1.7642 -0.2752 -0.1382 -0.1652 288 LYS A O 390 C CB . LYS A 51 ? 1.7616 1.3163 1.6103 -0.2717 -0.0740 -0.1323 288 LYS A CB 391 C CG . LYS A 51 ? 1.6206 1.1721 1.5343 -0.2972 -0.0952 -0.1408 288 LYS A CG 392 C CD . LYS A 51 ? 1.4005 0.9014 1.3044 -0.2898 -0.1040 -0.1736 288 LYS A CD 393 C CE . LYS A 51 ? 1.5138 1.0201 1.4905 -0.3128 -0.1237 -0.1867 288 LYS A CE 394 N NZ . LYS A 51 ? 1.2447 0.7035 1.2296 -0.3088 -0.1268 -0.2223 288 LYS A NZ 395 N N . THR A 52 ? 1.5482 1.0924 1.2467 -0.2460 -0.1411 -0.2055 289 THR A N 396 C CA . THR A 52 ? 1.7917 1.3639 1.4777 -0.2535 -0.1827 -0.2210 289 THR A CA 397 C C . THR A 52 ? 2.0847 1.6493 1.8270 -0.2844 -0.2119 -0.2455 289 THR A C 398 O O . THR A 52 ? 2.1960 1.7342 1.9349 -0.2831 -0.2123 -0.2775 289 THR A O 399 C CB . THR A 52 ? 1.6528 1.2075 1.2425 -0.2378 -0.1941 -0.2478 289 THR A CB 400 O OG1 . THR A 52 ? 1.6171 1.1766 1.1581 -0.2105 -0.1642 -0.2227 289 THR A OG1 401 C CG2 . THR A 52 ? 1.3503 0.9419 0.9247 -0.2468 -0.2423 -0.2588 289 THR A CG2 402 N N . LYS A 53 ? 2.0190 1.6281 1.8361 -0.3023 -0.2258 -0.2270 290 LYS A N 403 C CA . LYS A 53 ? 1.8552 1.4781 1.7464 -0.3253 -0.2438 -0.2428 290 LYS A CA 404 C C . LYS A 53 ? 1.9144 1.5671 1.7919 -0.3305 -0.2888 -0.2687 290 LYS A C 405 O O . LYS A 53 ? 1.5443 1.2205 1.3762 -0.3203 -0.3109 -0.2601 290 LYS A O 406 C CB . LYS A 53 ? 1.6365 1.2985 1.6192 -0.3429 -0.2297 -0.2104 290 LYS A CB 407 C CG . LYS A 53 ? 1.3885 1.1140 1.4175 -0.3525 -0.2556 -0.2004 290 LYS A CG 408 C CD . LYS A 53 ? 1.6638 1.4305 1.7778 -0.3666 -0.2276 -0.1705 290 LYS A CD 409 C CE . LYS A 53 ? 1.6305 1.3806 1.7219 -0.3566 -0.1861 -0.1434 290 LYS A CE 410 N NZ . LYS A 53 ? 1.3577 1.1296 1.5143 -0.3698 -0.1523 -0.1195 290 LYS A NZ 411 N N . PRO A 54 ? 1.9670 1.6206 1.8845 -0.3477 -0.3027 -0.2990 291 PRO A N 412 C CA . PRO A 54 ? 1.9758 1.6545 1.8632 -0.3516 -0.3435 -0.3308 291 PRO A CA 413 C C . PRO A 54 ? 2.0084 1.7464 1.9178 -0.3554 -0.3787 -0.3130 291 PRO A C 414 O O . PRO A 54 ? 1.9610 1.7322 1.9428 -0.3628 -0.3731 -0.2815 291 PRO A O 415 C CB . PRO A 54 ? 1.8687 1.5373 1.8077 -0.3760 -0.3454 -0.3646 291 PRO A CB 416 C CG . PRO A 54 ? 1.8318 1.4807 1.8414 -0.3870 -0.3106 -0.3391 291 PRO A CG 417 C CD . PRO A 54 ? 1.8520 1.4788 1.8304 -0.3641 -0.2805 -0.3075 291 PRO A CD 418 N N . ARG A 55 ? 2.1802 1.9318 2.0261 -0.3506 -0.4124 -0.3403 292 ARG A N 419 C CA . ARG A 55 ? 2.0814 1.8805 1.8879 -0.3423 -0.4551 -0.3315 292 ARG A CA 420 C C . ARG A 55 ? 1.3728 1.2208 1.2486 -0.3641 -0.4887 -0.3451 292 ARG A C 421 O O . ARG A 55 ? 1.7238 1.5688 1.5932 -0.3795 -0.4986 -0.3863 292 ARG A O 422 C CB . ARG A 55 ? 1.7681 1.5606 1.4662 -0.3306 -0.4689 -0.3627 292 ARG A CB 423 C CG . ARG A 55 ? 1.7978 1.5436 1.4033 -0.3080 -0.4344 -0.3653 292 ARG A CG 424 C CD . ARG A 55 ? 1.8124 1.5822 1.3084 -0.2906 -0.4528 -0.3675 292 ARG A CD 425 N NE . ARG A 55 ? 2.1430 1.9717 1.6285 -0.3001 -0.5019 -0.3813 292 ARG A NE 426 C CZ . ARG A 55 ? 2.0448 1.8904 1.4957 -0.3091 -0.5140 -0.4322 292 ARG A CZ 427 N NH1 . ARG A 55 ? 1.6982 1.5047 1.1300 -0.3097 -0.4805 -0.4776 292 ARG A NH1 428 N NH2 . ARG A 55 ? 1.7436 1.6502 1.1855 -0.3182 -0.5606 -0.4397 292 ARG A NH2 429 N N . GLU A 56 ? 1.5225 1.4195 1.4645 -0.3656 -0.5069 -0.3129 293 GLU A N 430 C CA . GLU A 56 ? 1.6035 1.5467 1.6300 -0.3878 -0.5292 -0.3223 293 GLU A CA 431 C C . GLU A 56 ? 1.7851 1.7923 1.8123 -0.3815 -0.5810 -0.3109 293 GLU A C 432 O O . GLU A 56 ? 1.9484 1.9968 2.0384 -0.3742 -0.5897 -0.2758 293 GLU A O 433 C CB . GLU A 56 ? 1.7160 1.6665 1.8427 -0.3988 -0.4956 -0.2976 293 GLU A CB 434 C CG . GLU A 56 ? 1.2355 1.1228 1.3484 -0.4005 -0.4456 -0.2998 293 GLU A CG 435 C CD . GLU A 56 ? 1.7369 1.6352 1.9289 -0.4080 -0.4070 -0.2682 293 GLU A CD 436 O OE1 . GLU A 56 ? 1.8283 1.7692 2.1014 -0.4263 -0.4088 -0.2625 293 GLU A OE1 437 O OE2 . GLU A 56 ? 1.8983 1.7654 2.0676 -0.3963 -0.3729 -0.2495 293 GLU A OE2 438 N N . GLU A 57 ? 1.9831 2.0014 1.9420 -0.3837 -0.6131 -0.3409 294 GLU A N 439 C CA . GLU A 57 ? 2.2285 2.3097 2.1731 -0.3771 -0.6654 -0.3296 294 GLU A CA 440 C C . GLU A 57 ? 2.2045 2.3438 2.2650 -0.3863 -0.6861 -0.3090 294 GLU A C 441 O O . GLU A 57 ? 2.3571 2.5240 2.4649 -0.4099 -0.7029 -0.3357 294 GLU A O 442 C CB . GLU A 57 ? 2.5804 2.6787 2.4673 -0.3919 -0.6933 -0.3774 294 GLU A CB 443 C CG . GLU A 57 ? 2.7765 2.8185 2.5817 -0.3952 -0.6631 -0.4213 294 GLU A CG 444 C CD . GLU A 57 ? 2.7531 2.8300 2.4805 -0.4024 -0.6947 -0.4617 294 GLU A CD 445 O OE1 . GLU A 57 ? 2.6442 2.7450 2.4037 -0.4315 -0.7134 -0.5001 294 GLU A OE1 446 O OE2 . GLU A 57 ? 2.8205 2.9032 2.4500 -0.3799 -0.6992 -0.4535 294 GLU A OE2 447 N N . GLN A 58 ? 2.0951 2.2552 2.2057 -0.3686 -0.6834 -0.2634 295 GLN A N 448 C CA . GLN A 58 ? 2.0165 2.2333 2.2489 -0.3752 -0.6935 -0.2456 295 GLN A CA 449 C C . GLN A 58 ? 1.8773 2.1569 2.1194 -0.3776 -0.7501 -0.2490 295 GLN A C 450 O O . GLN A 58 ? 1.8239 2.1076 1.9755 -0.3750 -0.7813 -0.2641 295 GLN A O 451 C CB . GLN A 58 ? 2.0935 2.3249 2.3868 -0.3544 -0.6752 -0.2008 295 GLN A CB 452 C CG . GLN A 58 ? 2.1056 2.2786 2.3596 -0.3457 -0.6278 -0.1915 295 GLN A CG 453 C CD . GLN A 58 ? 1.9295 2.0786 2.2369 -0.3655 -0.5767 -0.2056 295 GLN A CD 454 O OE1 . GLN A 58 ? 1.9667 2.1519 2.3719 -0.3703 -0.5548 -0.1914 295 GLN A OE1 455 N NE2 . GLN A 58 ? 1.7512 1.8412 1.9938 -0.3758 -0.5544 -0.2317 295 GLN A NE2 456 N N . TYR A 59 ? 1.6832 2.0171 2.0355 -0.3830 -0.7614 -0.2358 296 TYR A N 457 C CA . TYR A 59 ? 1.6418 2.0344 2.0150 -0.3925 -0.8114 -0.2468 296 TYR A CA 458 C C . TYR A 59 ? 1.6431 2.0808 1.9892 -0.3661 -0.8594 -0.2118 296 TYR A C 459 O O . TYR A 59 ? 1.6537 2.1202 1.9406 -0.3704 -0.9017 -0.2266 296 TYR A O 460 C CB . TYR A 59 ? 1.7352 2.1688 2.2371 -0.4090 -0.8032 -0.2469 296 TYR A CB 461 C CG . TYR A 59 ? 1.4851 1.9158 2.0046 -0.4452 -0.8017 -0.2900 296 TYR A CG 462 C CD1 . TYR A 59 ? 1.4597 1.8343 1.9773 -0.4643 -0.7539 -0.3098 296 TYR A CD1 463 C CD2 . TYR A 59 ? 1.7730 2.2586 2.3175 -0.4610 -0.8483 -0.3078 296 TYR A CD2 464 C CE1 . TYR A 59 ? 1.7173 2.0844 2.2570 -0.4979 -0.7518 -0.3446 296 TYR A CE1 465 C CE2 . TYR A 59 ? 1.7676 2.2490 2.3337 -0.4968 -0.8468 -0.3471 296 TYR A CE2 466 C CZ . TYR A 59 ? 1.7587 2.1776 2.3231 -0.5152 -0.7979 -0.3645 296 TYR A CZ 467 O OH . TYR A 59 ? 1.7327 2.1400 2.3222 -0.5514 -0.7951 -0.3993 296 TYR A OH 468 N N . ASN A 60 ? 1.6014 2.0470 1.9889 -0.3392 -0.8523 -0.1650 297 ASN A N 469 C CA . ASN A 60 ? 1.8900 2.3744 2.2574 -0.3121 -0.8960 -0.1226 297 ASN A CA 470 C C . ASN A 60 ? 2.0900 2.5483 2.3079 -0.3023 -0.9125 -0.1207 297 ASN A C 471 O O . ASN A 60 ? 2.0766 2.5393 2.2569 -0.2759 -0.9262 -0.0751 297 ASN A O 472 C CB . ASN A 60 ? 2.0629 2.5568 2.5158 -0.2848 -0.8798 -0.0734 297 ASN A CB 473 C CG . ASN A 60 ? 2.2385 2.6719 2.6710 -0.2790 -0.8260 -0.0694 297 ASN A CG 474 O OD1 . ASN A 60 ? 2.2157 2.5988 2.5880 -0.2969 -0.7956 -0.1033 297 ASN A OD1 475 N ND2 . ASN A 60 ? 2.3748 2.8154 2.8666 -0.2534 -0.8133 -0.0282 297 ASN A ND2 476 N N . SER A 61 ? 2.2375 2.6711 2.3744 -0.3241 -0.9081 -0.1709 298 SER A N 477 C CA . SER A 61 ? 2.2649 2.6647 2.2577 -0.3177 -0.9053 -0.1820 298 SER A CA 478 C C . SER A 61 ? 1.9873 2.3317 1.9297 -0.2955 -0.8690 -0.1484 298 SER A C 479 O O . SER A 61 ? 1.8369 2.1636 1.6627 -0.2824 -0.8686 -0.1397 298 SER A O 480 C CB . SER A 61 ? 2.4920 2.9493 2.4160 -0.3098 -0.9581 -0.1728 298 SER A CB 481 O OG . SER A 61 ? 2.5450 3.0213 2.4268 -0.3357 -0.9739 -0.2334 298 SER A OG 482 N N . THR A 62 ? 1.8862 2.2091 1.9167 -0.2912 -0.8370 -0.1293 299 THR A N 483 C CA . THR A 62 ? 2.1709 2.4389 2.1523 -0.2755 -0.7995 -0.1073 299 THR A CA 484 C C . THR A 62 ? 2.3719 2.5895 2.3808 -0.2939 -0.7510 -0.1434 299 THR A C 485 O O . THR A 62 ? 1.9804 2.2166 2.0945 -0.3094 -0.7410 -0.1566 299 THR A O 486 C CB . THR A 62 ? 2.0864 2.3719 2.1438 -0.2510 -0.7984 -0.0497 299 THR A CB 487 O OG1 . THR A 62 ? 2.1042 2.3766 2.2636 -0.2581 -0.7590 -0.0573 299 THR A OG1 488 C CG2 . THR A 62 ? 1.8859 2.2396 2.0089 -0.2387 -0.8452 -0.0167 299 THR A CG2 489 N N . TYR A 63 ? 2.7951 2.9511 2.7088 -0.2919 -0.7180 -0.1577 300 TYR A N 490 C CA . TYR A 63 ? 2.9082 3.0125 2.8425 -0.3072 -0.6702 -0.1876 300 TYR A CA 491 C C . TYR A 63 ? 2.7591 2.8449 2.7377 -0.2962 -0.6375 -0.1555 300 TYR A C 492 O O . TYR A 63 ? 2.6833 2.7981 2.6942 -0.2766 -0.6483 -0.1135 300 TYR A O 493 C CB . TYR A 63 ? 3.2851 3.3320 3.1161 -0.3146 -0.6454 -0.2317 300 TYR A CB 494 C CG . TYR A 63 ? 3.3313 3.3744 3.0310 -0.3010 -0.6599 -0.2372 300 TYR A CG 495 C CD1 . TYR A 63 ? 3.4481 3.5422 3.1155 -0.2861 -0.7014 -0.2027 300 TYR A CD1 496 C CD2 . TYR A 63 ? 3.2755 3.2709 2.8884 -0.3025 -0.6298 -0.2768 300 TYR A CD2 497 C CE1 . TYR A 63 ? 3.5885 3.6896 3.1324 -0.2743 -0.7105 -0.2053 300 TYR A CE1 498 C CE2 . TYR A 63 ? 3.3987 3.4037 2.8952 -0.2890 -0.6381 -0.2817 300 TYR A CE2 499 C CZ . TYR A 63 ? 3.5804 3.6387 3.0452 -0.2754 -0.6768 -0.2420 300 TYR A CZ 500 O OH . TYR A 63 ? 3.6908 3.7743 3.0539 -0.2643 -0.6887 -0.2424 300 TYR A OH 501 N N . ARG A 64 ? 2.1811 2.2143 2.1479 -0.3058 -0.5923 -0.1765 301 ARG A N 502 C CA . ARG A 64 ? 1.6551 1.6721 1.6625 -0.2940 -0.5381 -0.1535 301 ARG A CA 503 C C . ARG A 64 ? 1.4855 1.4391 1.4457 -0.3032 -0.4947 -0.1795 301 ARG A C 504 O O . ARG A 64 ? 1.5418 1.4839 1.5528 -0.3290 -0.4876 -0.2031 301 ARG A O 505 C CB . ARG A 64 ? 1.5411 1.6061 1.6851 -0.3059 -0.5342 -0.1446 301 ARG A CB 506 C CG . ARG A 64 ? 1.2703 1.3314 1.4594 -0.2941 -0.4749 -0.1242 301 ARG A CG 507 C CD . ARG A 64 ? 1.5293 1.6431 1.8450 -0.3121 -0.4760 -0.1250 301 ARG A CD 508 N NE . ARG A 64 ? 1.7711 1.8718 2.1267 -0.3316 -0.4283 -0.1339 301 ARG A NE 509 C CZ . ARG A 64 ? 1.8511 1.8987 2.1554 -0.3471 -0.4074 -0.1522 301 ARG A CZ 510 N NH1 . ARG A 64 ? 1.4592 1.4584 1.6725 -0.3476 -0.4281 -0.1732 301 ARG A NH1 511 N NH2 . ARG A 64 ? 2.4404 2.4876 2.7857 -0.3594 -0.3592 -0.1486 301 ARG A NH2 512 N N . VAL A 65 ? 1.6256 1.5388 1.4908 -0.2821 -0.4675 -0.1729 302 VAL A N 513 C CA . VAL A 65 ? 1.7341 1.5875 1.5570 -0.2844 -0.4230 -0.1918 302 VAL A CA 514 C C . VAL A 65 ? 1.7502 1.5987 1.6084 -0.2687 -0.3683 -0.1612 302 VAL A C 515 O O . VAL A 65 ? 1.6277 1.5015 1.4967 -0.2475 -0.3593 -0.1294 302 VAL A O 516 C CB . VAL A 65 ? 1.9018 1.7147 1.6003 -0.2745 -0.4257 -0.2137 302 VAL A CB 517 C CG1 . VAL A 65 ? 1.6898 1.4945 1.3271 -0.2438 -0.3957 -0.1810 302 VAL A CG1 518 C CG2 . VAL A 65 ? 2.1768 1.9316 1.8564 -0.2877 -0.3999 -0.2512 302 VAL A CG2 519 N N . VAL A 66 ? 1.6069 1.6879 1.6804 -0.0461 0.0401 -0.3550 303 VAL A N 520 C CA . VAL A 66 ? 1.4894 1.5493 1.5995 -0.0430 0.0484 -0.3179 303 VAL A CA 521 C C . VAL A 66 ? 1.1979 1.2417 1.3449 -0.0455 0.0781 -0.3256 303 VAL A C 522 O O . VAL A 66 ? 1.2146 1.2579 1.3965 -0.0509 0.0872 -0.3598 303 VAL A O 523 C CB . VAL A 66 ? 1.0829 1.1384 1.2502 -0.0441 0.0288 -0.3083 303 VAL A CB 524 C CG1 . VAL A 66 ? 1.2390 1.2743 1.4548 -0.0420 0.0409 -0.2809 303 VAL A CG1 525 C CG2 . VAL A 66 ? 1.3258 1.3938 1.4615 -0.0396 0.0017 -0.2885 303 VAL A CG2 526 N N . SER A 67 ? 1.2965 1.3282 1.4387 -0.0415 0.0936 -0.2952 304 SER A N 527 C CA . SER A 67 ? 1.4226 1.4397 1.6144 -0.0426 0.1173 -0.2957 304 SER A CA 528 C C . SER A 67 ? 1.2519 1.2579 1.4947 -0.0399 0.1093 -0.2673 304 SER A C 529 O O . SER A 67 ? 1.3571 1.3647 1.5886 -0.0367 0.0904 -0.2425 304 SER A O 530 C CB . SER A 67 ? 1.4836 1.4965 1.6440 -0.0405 0.1423 -0.2831 304 SER A CB 531 O OG . SER A 67 ? 1.3681 1.3723 1.5743 -0.0425 0.1667 -0.2969 304 SER A OG 532 N N . VAL A 68 ? 1.0152 1.0110 1.3137 -0.0402 0.1247 -0.2707 305 VAL A N 533 C CA . VAL A 68 ? 1.0426 1.0338 1.3857 -0.0368 0.1178 -0.2394 305 VAL A CA 534 C C . VAL A 68 ? 1.1125 1.1036 1.4809 -0.0369 0.1358 -0.2263 305 VAL A C 535 O O . VAL A 68 ? 1.0804 1.0757 1.4638 -0.0410 0.1481 -0.2411 305 VAL A O 536 C CB . VAL A 68 ? 0.8028 0.8040 1.1891 -0.0379 0.1023 -0.2344 305 VAL A CB 537 C CG1 . VAL A 68 ? 0.8211 0.8272 1.2470 -0.0337 0.0995 -0.2010 305 VAL A CG1 538 C CG2 . VAL A 68 ? 0.8742 0.8775 1.2437 -0.0384 0.0806 -0.2410 305 VAL A CG2 539 N N . LEU A 69 ? 1.0090 0.9965 1.3829 -0.0332 0.1363 -0.1996 306 LEU A N 540 C CA . LEU A 69 ? 0.9502 0.9405 1.3525 -0.0349 0.1473 -0.1848 306 LEU A CA 541 C C . LEU A 69 ? 0.9805 0.9800 1.4175 -0.0336 0.1312 -0.1566 306 LEU A C 542 O O . LEU A 69 ? 1.0057 1.0061 1.4335 -0.0294 0.1172 -0.1415 306 LEU A O 543 C CB . LEU A 69 ? 0.9384 0.9209 1.3133 -0.0335 0.1652 -0.1811 306 LEU A CB 544 C CG . LEU A 69 ? 1.1340 1.1164 1.5334 -0.0361 0.1730 -0.1636 306 LEU A CG 545 C CD1 . LEU A 69 ? 0.9594 0.9464 1.3977 -0.0417 0.1749 -0.1679 306 LEU A CD1 546 C CD2 . LEU A 69 ? 1.1644 1.1406 1.5335 -0.0358 0.1965 -0.1677 306 LEU A CD2 547 N N . THR A 70 ? 1.0812 1.0880 1.5558 -0.0373 0.1332 -0.1510 307 THR A N 548 C CA . THR A 70 ? 1.0667 1.0728 1.5415 -0.0303 0.1155 -0.1236 307 THR A CA 549 C C . THR A 70 ? 0.8948 0.8931 1.3566 -0.0291 0.1174 -0.1102 307 THR A C 550 O O . THR A 70 ? 1.1774 1.1717 1.6512 -0.0331 0.1314 -0.1180 307 THR A O 551 C CB . THR A 70 ? 0.9415 0.9492 1.4415 -0.0293 0.1133 -0.1223 307 THR A CB 552 O OG1 . THR A 70 ? 1.1445 1.1584 1.6531 -0.0276 0.1056 -0.1264 307 THR A OG1 553 C CG2 . THR A 70 ? 0.7251 0.7272 1.2191 -0.0243 0.1015 -0.0979 307 THR A CG2 554 N N . VAL A 71 ? 0.6924 0.6885 1.1313 -0.0241 0.1034 -0.0920 308 VAL A N 555 C CA . VAL A 71 ? 0.6904 0.6799 1.1177 -0.0224 0.1027 -0.0811 308 VAL A CA 556 C C . VAL A 71 ? 0.6726 0.6609 1.1010 -0.0181 0.0891 -0.0669 308 VAL A C 557 O O . VAL A 71 ? 0.7415 0.7320 1.1706 -0.0162 0.0788 -0.0605 308 VAL A O 558 C CB . VAL A 71 ? 0.7810 0.7689 1.1847 -0.0199 0.0966 -0.0724 308 VAL A CB 559 C CG1 . VAL A 71 ? 0.7815 0.7692 1.1863 -0.0243 0.1126 -0.0865 308 VAL A CG1 560 C CG2 . VAL A 71 ? 0.3139 0.3048 0.7022 -0.0154 0.0766 -0.0595 308 VAL A CG2 561 N N . LEU A 72 ? 0.5593 0.5440 0.9904 -0.0170 0.0904 -0.0628 309 LEU A N 562 C CA . LEU A 72 ? 0.5413 0.5263 0.9759 -0.0132 0.0786 -0.0509 309 LEU A CA 563 C C . LEU A 72 ? 0.6626 0.6484 1.0723 -0.0098 0.0656 -0.0399 309 LEU A C 564 O O . LEU A 72 ? 0.3937 0.3786 0.7887 -0.0100 0.0676 -0.0414 309 LEU A O 565 C CB . LEU A 72 ? 0.9030 0.8864 1.3573 -0.0136 0.0853 -0.0536 309 LEU A CB 566 C CG . LEU A 72 ? 0.8485 0.8305 1.3279 -0.0178 0.1010 -0.0666 309 LEU A CG 567 C CD1 . LEU A 72 ? 0.7448 0.7252 1.2468 -0.0179 0.1069 -0.0685 309 LEU A CD1 568 C CD2 . LEU A 72 ? 0.5536 0.5377 1.0467 -0.0176 0.0977 -0.0657 309 LEU A CD2 569 N N . HIS A 73 ? 0.4198 0.4073 0.8279 -0.0073 0.0543 -0.0292 310 HIS A N 570 C CA . HIS A 73 ? 0.3881 0.3773 0.7748 -0.0051 0.0433 -0.0204 310 HIS A CA 571 C C . HIS A 73 ? 0.4972 0.4868 0.8806 -0.0046 0.0437 -0.0222 310 HIS A C 572 O O . HIS A 73 ? 0.5510 0.5406 0.9157 -0.0042 0.0410 -0.0214 310 HIS A O 573 C CB . HIS A 73 ? 0.5072 0.4985 0.9035 -0.0033 0.0350 -0.0093 310 HIS A CB 574 C CG . HIS A 73 ? 0.8064 0.7973 1.2064 -0.0038 0.0349 -0.0061 310 HIS A CG 575 N ND1 . HIS A 73 ? 0.6988 0.6886 1.1219 -0.0051 0.0424 -0.0109 310 HIS A ND1 576 C CD2 . HIS A 73 ? 0.7612 0.7529 1.1504 -0.0034 0.0294 0.0006 310 HIS A CD2 577 C CE1 . HIS A 73 ? 0.6182 0.6083 1.0445 -0.0054 0.0411 -0.0076 310 HIS A CE1 578 N NE2 . HIS A 73 ? 0.6040 0.5951 1.0082 -0.0043 0.0331 -0.0001 310 HIS A NE2 579 N N . GLN A 74 ? 0.6654 0.6552 1.0713 -0.0048 0.0478 -0.0252 311 GLN A N 580 C CA . GLN A 74 ? 0.9213 0.9118 1.3360 -0.0049 0.0503 -0.0295 311 GLN A CA 581 C C . GLN A 74 ? 0.6726 0.6599 1.0786 -0.0067 0.0606 -0.0362 311 GLN A C 582 O O . GLN A 74 ? 0.9840 0.9716 1.3849 -0.0065 0.0603 -0.0370 311 GLN A O 583 C CB . GLN A 74 ? 1.4958 1.4866 1.9428 -0.0054 0.0554 -0.0329 311 GLN A CB 584 C CG . GLN A 74 ? 1.6742 1.6683 2.1429 -0.0032 0.0454 -0.0242 311 GLN A CG 585 C CD . GLN A 74 ? 2.1355 2.1351 2.6201 -0.0014 0.0363 -0.0230 311 GLN A CD 586 O OE1 . GLN A 74 ? 2.2456 2.2587 2.7237 0.0034 0.0250 -0.0133 311 GLN A OE1 587 N NE2 . GLN A 74 ? 2.5798 2.5819 3.0795 -0.0018 0.0408 -0.0320 311 GLN A NE2 588 N N . ASP A 75 ? 0.5152 0.4993 0.9251 -0.0090 0.0717 -0.0420 312 ASP A N 589 C CA . ASP A 75 ? 0.5414 0.5212 0.9517 -0.0116 0.0870 -0.0494 312 ASP A CA 590 C C . ASP A 75 ? 0.9608 0.9402 1.3491 -0.0103 0.0836 -0.0448 312 ASP A C 591 O O . ASP A 75 ? 0.8936 0.8705 1.2807 -0.0105 0.0902 -0.0452 312 ASP A O 592 C CB . ASP A 75 ? 0.6292 0.6061 1.0487 -0.0154 0.1009 -0.0585 312 ASP A CB 593 C CG . ASP A 75 ? 0.9876 0.9625 1.4328 -0.0181 0.1126 -0.0664 312 ASP A CG 594 O OD1 . ASP A 75 ? 1.0155 0.9878 1.4705 -0.0225 0.1273 -0.0769 312 ASP A OD1 595 O OD2 . ASP A 75 ? 1.2260 1.2024 1.6840 -0.0163 0.1080 -0.0638 312 ASP A OD2 596 N N . TRP A 76 ? 0.8717 0.8534 1.2457 -0.0090 0.0737 -0.0402 313 TRP A N 597 C CA . TRP A 76 ? 0.5250 0.5071 0.8809 -0.0075 0.0692 -0.0355 313 TRP A CA 598 C C . TRP A 76 ? 0.6742 0.6584 1.0211 -0.0054 0.0591 -0.0293 313 TRP A C 599 O O . TRP A 76 ? 0.5211 0.5040 0.8642 -0.0049 0.0629 -0.0283 313 TRP A O 600 C CB . TRP A 76 ? 0.5434 0.5279 0.8896 -0.0069 0.0600 -0.0327 313 TRP A CB 601 C CG . TRP A 76 ? 0.3204 0.3057 0.6514 -0.0053 0.0548 -0.0278 313 TRP A CG 602 C CD1 . TRP A 76 ? 0.5236 0.5110 0.8380 -0.0034 0.0416 -0.0197 313 TRP A CD1 603 C CD2 . TRP A 76 ? 0.4478 0.4317 0.7825 -0.0057 0.0651 -0.0309 313 TRP A CD2 604 N NE1 . TRP A 76 ? 0.6995 0.6872 1.0065 -0.0024 0.0408 -0.0170 313 TRP A NE1 605 C CE2 . TRP A 76 ? 0.2404 0.2265 0.5619 -0.0031 0.0548 -0.0228 313 TRP A CE2 606 C CE3 . TRP A 76 ? 0.2601 0.2404 0.6094 -0.0091 0.0849 -0.0405 313 TRP A CE3 607 C CZ2 . TRP A 76 ? 0.4237 0.4112 0.7515 -0.0023 0.0615 -0.0214 313 TRP A CZ2 608 C CZ3 . TRP A 76 ? 0.5381 0.5170 0.8904 -0.0097 0.0951 -0.0403 313 TRP A CZ3 609 C CH2 . TRP A 76 ? 0.3208 0.3041 0.6655 -0.0061 0.0823 -0.0292 313 TRP A CH2 610 N N . LEU A 77 ? 0.5116 0.4991 0.8589 -0.0045 0.0480 -0.0258 314 LEU A N 611 C CA . LEU A 77 ? 0.6491 0.6393 0.9914 -0.0033 0.0392 -0.0229 314 LEU A CA 612 C C . LEU A 77 ? 0.7393 0.7290 1.0945 -0.0040 0.0454 -0.0283 314 LEU A C 613 O O . LEU A 77 ? 0.7745 0.7653 1.1248 -0.0035 0.0418 -0.0281 314 LEU A O 614 C CB . LEU A 77 ? 0.3926 0.3859 0.7454 -0.0025 0.0298 -0.0193 314 LEU A CB 615 C CG . LEU A 77 ? 0.4241 0.4180 0.7642 -0.0018 0.0227 -0.0118 314 LEU A CG 616 C CD1 . LEU A 77 ? 0.2424 0.2391 0.6013 -0.0009 0.0159 -0.0060 314 LEU A CD1 617 C CD2 . LEU A 77 ? 0.3505 0.3447 0.6707 -0.0015 0.0180 -0.0095 314 LEU A CD2 618 N N . ASN A 78 ? 0.8361 0.8239 1.2103 -0.0053 0.0557 -0.0341 315 ASN A N 619 C CA . ASN A 78 ? 0.6708 0.6574 1.0618 -0.0065 0.0641 -0.0402 315 ASN A CA 620 C C . ASN A 78 ? 0.7574 0.7384 1.1449 -0.0073 0.0784 -0.0404 315 ASN A C 621 O O . ASN A 78 ? 0.7791 0.7571 1.1826 -0.0087 0.0898 -0.0449 315 ASN A O 622 C CB . ASN A 78 ? 0.5894 0.5759 1.0055 -0.0079 0.0710 -0.0463 315 ASN A CB 623 C CG . ASN A 78 ? 0.9745 0.9669 1.4074 -0.0066 0.0588 -0.0468 315 ASN A CG 624 O OD1 . ASN A 78 ? 0.4887 0.4851 0.9239 -0.0053 0.0481 -0.0465 315 ASN A OD1 625 N ND2 . ASN A 78 ? 0.4632 0.4558 0.9170 -0.0070 0.0622 -0.0489 315 ASN A ND2 626 N N . GLY A 79 ? 0.7002 0.6794 1.0708 -0.0065 0.0792 -0.0355 316 GLY A N 627 C CA . GLY A 79 ? 0.8587 0.8327 1.2282 -0.0065 0.0932 -0.0333 316 GLY A CA 628 C C . GLY A 79 ? 0.6069 0.5724 0.9875 -0.0093 0.1161 -0.0377 316 GLY A C 629 O O . GLY A 79 ? 1.0046 0.9623 1.3900 -0.0098 0.1334 -0.0355 316 GLY A O 630 N N . LYS A 80 ? 0.5811 0.5461 0.9664 -0.0115 0.1190 -0.0437 317 LYS A N 631 C CA . LYS A 80 ? 0.7751 0.7302 1.1692 -0.0159 0.1435 -0.0506 317 LYS A CA 632 C C . LYS A 80 ? 0.3586 0.3071 0.7406 -0.0172 0.1561 -0.0489 317 LYS A C 633 O O . LYS A 80 ? 0.7398 0.6951 1.1116 -0.0145 0.1413 -0.0440 317 LYS A O 634 C CB . LYS A 80 ? 0.6369 0.5943 1.0424 -0.0186 0.1429 -0.0591 317 LYS A CB 635 C CG . LYS A 80 ? 0.9529 0.9152 1.3748 -0.0175 0.1340 -0.0601 317 LYS A CG 636 C CD . LYS A 80 ? 1.2695 1.2322 1.7098 -0.0202 0.1388 -0.0679 317 LYS A CD 637 C CE . LYS A 80 ? 1.1898 1.1583 1.6493 -0.0182 0.1280 -0.0676 317 LYS A CE 638 N NZ . LYS A 80 ? 1.1348 1.0994 1.6208 -0.0217 0.1438 -0.0766 317 LYS A NZ 639 N N . GLU A 81 ? 0.7013 0.6424 1.0777 -0.0222 0.1828 -0.0506 318 GLU A N 640 C CA . GLU A 81 ? 0.8137 0.7602 1.1647 -0.0250 0.1944 -0.0436 318 GLU A CA 641 C C . GLU A 81 ? 0.8753 0.8277 1.2151 -0.0290 0.2102 -0.0569 318 GLU A C 642 O O . GLU A 81 ? 0.9150 0.8634 1.2594 -0.0318 0.2247 -0.0668 318 GLU A O 643 C CB . GLU A 81 ? 1.0842 1.0240 1.4187 -0.0269 0.2140 -0.0288 318 GLU A CB 644 C CG . GLU A 81 ? 1.6508 1.5826 2.0052 -0.0236 0.2119 -0.0257 318 GLU A CG 645 C CD . GLU A 81 ? 1.8085 1.7337 2.1498 -0.0235 0.2219 -0.0074 318 GLU A CD 646 O OE1 . GLU A 81 ? 1.8502 1.7702 2.1623 -0.0276 0.2436 0.0043 318 GLU A OE1 647 O OE2 . GLU A 81 ? 1.5469 1.4725 1.9046 -0.0184 0.2085 -0.0045 318 GLU A OE2 648 N N . TYR A 82 ? 0.7503 0.7118 1.0715 -0.0278 0.2063 -0.0589 319 TYR A N 649 C CA . TYR A 82 ? 1.0566 1.0196 1.3545 -0.0279 0.2090 -0.0774 319 TYR A CA 650 C C . TYR A 82 ? 1.2279 1.1866 1.4607 -0.0279 0.2160 -0.0734 319 TYR A C 651 O O . TYR A 82 ? 0.9572 0.9154 1.1561 -0.0250 0.1973 -0.0633 319 TYR A O 652 C CB . TYR A 82 ? 1.0324 1.0007 1.3453 -0.0253 0.1833 -0.0858 319 TYR A CB 653 C CG . TYR A 82 ? 0.7937 0.7632 1.1551 -0.0256 0.1717 -0.0856 319 TYR A CG 654 C CD1 . TYR A 82 ? 0.5864 0.5542 0.9650 -0.0297 0.1723 -0.0979 319 TYR A CD1 655 C CD2 . TYR A 82 ? 1.0101 0.9752 1.3798 -0.0234 0.1523 -0.0696 319 TYR A CD2 656 C CE1 . TYR A 82 ? 0.6018 0.5667 1.0042 -0.0313 0.1556 -0.0911 319 TYR A CE1 657 C CE2 . TYR A 82 ? 1.0991 1.0651 1.4784 -0.0210 0.1332 -0.0654 319 TYR A CE2 658 C CZ . TYR A 82 ? 0.7769 0.7452 1.1696 -0.0238 0.1348 -0.0740 319 TYR A CZ 659 O OH . TYR A 82 ? 1.1240 1.0969 1.5206 -0.0199 0.1177 -0.0668 319 TYR A OH 660 N N . LYS A 83 ? 1.2921 1.2494 1.5082 -0.0304 0.2435 -0.0811 320 LYS A N 661 C CA . LYS A 83 ? 1.3920 1.3477 1.5425 -0.0295 0.2539 -0.0756 320 LYS A CA 662 C C . LYS A 83 ? 1.5653 1.5292 1.6840 -0.0292 0.2480 -0.1010 320 LYS A C 663 O O . LYS A 83 ? 1.5948 1.5623 1.7396 -0.0319 0.2583 -0.1261 320 LYS A O 664 C CB . LYS A 83 ? 1.2100 1.1609 1.3542 -0.0322 0.2897 -0.0693 320 LYS A CB 665 C CG . LYS A 83 ? 1.2115 1.1601 1.2850 -0.0296 0.3012 -0.0534 320 LYS A CG 666 C CD . LYS A 83 ? 1.2365 1.1835 1.2972 -0.0325 0.3405 -0.0551 320 LYS A CD 667 C CE . LYS A 83 ? 1.4163 1.3529 1.5164 -0.0356 0.3623 -0.0337 320 LYS A CE 668 N NZ . LYS A 83 ? 1.1466 1.0812 1.2494 -0.0389 0.3906 -0.0398 320 LYS A NZ 669 N N . CYS A 84 ? 1.4650 1.4330 1.5301 -0.0258 0.2312 -0.0952 321 CYS A N 670 C CA . CYS A 84 ? 1.4125 1.3916 1.4423 -0.0258 0.2229 -0.1207 321 CYS A CA 671 C C . CYS A 84 ? 1.6028 1.5875 1.5603 -0.0236 0.2384 -0.1168 321 CYS A C 672 O O . CYS A 84 ? 1.6506 1.6349 1.5663 -0.0186 0.2312 -0.0902 321 CYS A O 673 C CB . CYS A 84 ? 1.1584 1.1428 1.1875 -0.0233 0.1873 -0.1206 321 CYS A CB 674 S SG . CYS A 84 ? 2.0838 2.0835 2.0893 -0.0248 0.1720 -0.1576 321 CYS A SG 675 N N . LYS A 85 ? 1.4548 1.4454 1.3980 -0.0265 0.2608 -0.1423 322 LYS A N 676 C CA . LYS A 85 ? 1.2598 1.2583 1.1316 -0.0241 0.2791 -0.1400 322 LYS A CA 677 C C . LYS A 85 ? 1.5167 1.5336 1.3453 -0.0238 0.2661 -0.1727 322 LYS A C 678 O O . LYS A 85 ? 1.4280 1.4496 1.2793 -0.0286 0.2747 -0.2092 322 LYS A O 679 C CB . LYS A 85 ? 1.5678 1.5608 1.4511 -0.0277 0.3202 -0.1433 322 LYS A CB 680 C CG . LYS A 85 ? 1.8761 1.8785 1.6856 -0.0255 0.3445 -0.1437 322 LYS A CG 681 C CD . LYS A 85 ? 1.9783 1.9747 1.8056 -0.0295 0.3881 -0.1458 322 LYS A CD 682 C CE . LYS A 85 ? 2.0462 2.0368 1.8283 -0.0256 0.4094 -0.1059 322 LYS A CE 683 N NZ . LYS A 85 ? 2.0256 2.0049 1.8485 -0.0299 0.4469 -0.0941 322 LYS A NZ 684 N N . VAL A 86 ? 1.7419 1.7703 1.5104 -0.0179 0.2456 -0.1604 323 VAL A N 685 C CA . VAL A 86 ? 1.6353 1.6846 1.3689 -0.0174 0.2234 -0.1915 323 VAL A CA 686 C C . VAL A 86 ? 1.8456 1.9138 1.4956 -0.0135 0.2365 -0.1989 323 VAL A C 687 O O . VAL A 86 ? 1.7748 1.8521 1.3655 -0.0055 0.2252 -0.1726 323 VAL A O 688 C CB . VAL A 86 ? 1.0602 1.1152 0.7898 -0.0128 0.1839 -0.1767 323 VAL A CB 689 C CG1 . VAL A 86 ? 1.0285 1.1039 0.7491 -0.0149 0.1597 -0.2154 323 VAL A CG1 690 C CG2 . VAL A 86 ? 1.3506 1.3874 1.1517 -0.0147 0.1733 -0.1597 323 VAL A CG2 691 N N . SER A 87 ? 2.0315 2.1067 1.6766 -0.0185 0.2599 -0.2351 324 SER A N 692 C CA . SER A 87 ? 2.2099 2.3045 1.7745 -0.0152 0.2774 -0.2452 324 SER A CA 693 C C . SER A 87 ? 2.0344 2.1580 1.5518 -0.0136 0.2499 -0.2793 324 SER A C 694 O O . SER A 87 ? 1.9219 2.0533 1.4689 -0.0205 0.2456 -0.3264 324 SER A O 695 C CB . SER A 87 ? 2.4127 2.5027 1.9932 -0.0211 0.3194 -0.2694 324 SER A CB 696 O OG . SER A 87 ? 2.5039 2.5693 2.1409 -0.0236 0.3423 -0.2434 324 SER A OG 697 N N . ASN A 88 ? 2.0788 2.2190 1.5263 -0.0043 0.2309 -0.2550 325 ASN A N 698 C CA . ASN A 88 ? 2.1135 2.2875 1.5036 -0.0012 0.2047 -0.2846 325 ASN A CA 699 C C . ASN A 88 ? 2.3131 2.5079 1.6031 0.0078 0.2211 -0.2701 325 ASN A C 700 O O . ASN A 88 ? 2.3025 2.4830 1.5733 0.0108 0.2544 -0.2371 325 ASN A O 701 C CB . ASN A 88 ? 2.0826 2.2635 1.4832 0.0033 0.1589 -0.2701 325 ASN A CB 702 C CG . ASN A 88 ? 2.2586 2.4779 1.6077 0.0062 0.1277 -0.3034 325 ASN A CG 703 O OD1 . ASN A 88 ? 2.6299 2.8697 1.9099 0.0164 0.1149 -0.2833 325 ASN A OD1 704 N ND2 . ASN A 88 ? 2.3471 2.5759 1.7300 -0.0024 0.1185 -0.3535 325 ASN A ND2 705 N N . LYS A 89 ? 2.2686 2.4956 1.4982 0.0126 0.1974 -0.2931 326 LYS A N 706 C CA . LYS A 89 ? 2.2504 2.4853 1.3943 0.0227 0.2076 -0.2749 326 LYS A CA 707 C C . LYS A 89 ? 2.3004 2.5528 1.3850 0.0349 0.1745 -0.2387 326 LYS A C 708 O O . LYS A 89 ? 2.2756 2.5351 1.2868 0.0430 0.1768 -0.2216 326 LYS A O 709 C CB . LYS A 89 ? 2.2316 2.4781 1.3593 0.0196 0.2024 -0.3242 326 LYS A CB 710 C CG . LYS A 89 ? 2.4100 2.6419 1.5849 0.0110 0.2330 -0.3600 326 LYS A CG 711 C CD . LYS A 89 ? 2.7899 3.0350 1.9110 0.0138 0.2381 -0.3900 326 LYS A CD 712 C CE . LYS A 89 ? 3.0583 3.3090 2.2433 0.0028 0.2231 -0.4500 326 LYS A CE 713 N NZ . LYS A 89 ? 2.6061 2.8350 1.8994 -0.0082 0.2304 -0.4631 326 LYS A NZ 714 N N . ALA A 90 ? 2.4442 2.7035 1.5633 0.0365 0.1422 -0.2285 327 ALA A N 715 C CA . ALA A 90 ? 2.4559 2.7265 1.5322 0.0500 0.1132 -0.1847 327 ALA A CA 716 C C . ALA A 90 ? 2.5164 2.7649 1.5891 0.0574 0.1403 -0.1245 327 ALA A C 717 O O . ALA A 90 ? 2.6147 2.8627 1.6472 0.0696 0.1300 -0.0765 327 ALA A O 718 C CB . ALA A 90 ? 2.2209 2.5058 1.3412 0.0497 0.0682 -0.1980 327 ALA A CB 719 N N . LEU A 91 ? 2.4109 2.6252 1.5471 0.0471 0.1726 -0.1240 328 LEU A N 720 C CA . LEU A 91 ? 2.2786 2.4611 1.4309 0.0504 0.2006 -0.0699 328 LEU A CA 721 C C . LEU A 91 ? 2.4272 2.6041 1.5420 0.0494 0.2504 -0.0630 328 LEU A C 722 O O . LEU A 91 ? 2.3130 2.4969 1.4295 0.0407 0.2706 -0.1069 328 LEU A O 723 C CB . LEU A 91 ? 2.1276 2.2763 1.3817 0.0408 0.1997 -0.0665 328 LEU A CB 724 C CG . LEU A 91 ? 2.1441 2.2909 1.4655 0.0275 0.1907 -0.1196 328 LEU A CG 725 C CD1 . LEU A 91 ? 2.2280 2.3535 1.5940 0.0175 0.2311 -0.1330 328 LEU A CD1 726 C CD2 . LEU A 91 ? 2.0135 2.1495 1.4022 0.0253 0.1576 -0.1159 328 LEU A CD2 727 N N . PRO A 92 ? 2.5734 2.7380 1.6553 0.0588 0.2713 -0.0073 329 PRO A N 728 C CA . PRO A 92 ? 2.4717 2.6222 1.5339 0.0542 0.3187 0.0077 329 PRO A CA 729 C C . PRO A 92 ? 2.4646 2.5881 1.6045 0.0445 0.3528 -0.0013 329 PRO A C 730 O O . PRO A 92 ? 2.3941 2.5187 1.5376 0.0360 0.3861 -0.0269 329 PRO A O 731 C CB . PRO A 92 ? 2.3240 2.4612 1.3649 0.0616 0.3194 0.0720 329 PRO A CB 732 C CG . PRO A 92 ? 2.3487 2.4798 1.4237 0.0713 0.2861 0.0940 329 PRO A CG 733 C CD . PRO A 92 ? 2.4678 2.6256 1.5447 0.0707 0.2480 0.0449 329 PRO A CD 734 N N . ALA A 93 ? 2.4785 2.5764 1.6941 0.0412 0.3388 0.0171 330 ALA A N 735 C CA . ALA A 93 ? 2.4584 2.5287 1.7624 0.0290 0.3608 0.0081 330 ALA A CA 736 C C . ALA A 93 ? 2.2998 2.3671 1.6734 0.0218 0.3263 -0.0238 330 ALA A C 737 O O . ALA A 93 ? 2.4477 2.5235 1.8160 0.0270 0.2870 -0.0195 330 ALA A O 738 C CB . ALA A 93 ? 2.4729 2.5150 1.8080 0.0313 0.3801 0.0603 330 ALA A CB 739 N N . PRO A 94 ? 2.0246 2.0803 1.4659 0.0105 0.3414 -0.0541 331 PRO A N 740 C CA . PRO A 94 ? 1.9883 2.0417 1.4938 0.0047 0.3095 -0.0816 331 PRO A CA 741 C C . PRO A 94 ? 1.9485 1.9831 1.5004 0.0069 0.2898 -0.0463 331 PRO A C 742 O O . PRO A 94 ? 1.9241 1.9390 1.5024 0.0063 0.3119 -0.0160 331 PRO A O 743 C CB . PRO A 94 ? 1.8564 1.8997 1.4243 -0.0060 0.3357 -0.1128 331 PRO A CB 744 C CG . PRO A 94 ? 1.8862 1.9307 1.4155 -0.0061 0.3809 -0.1083 331 PRO A CG 745 C CD . PRO A 94 ? 1.9333 1.9760 1.4043 0.0033 0.3863 -0.0591 331 PRO A CD 746 N N . ILE A 95 ? 1.6458 1.6875 1.2084 0.0092 0.2498 -0.0515 332 ILE A N 747 C CA . ILE A 95 ? 1.5900 1.6158 1.1988 0.0111 0.2305 -0.0232 332 ILE A CA 748 C C . ILE A 95 ? 1.5318 1.5375 1.2251 0.0021 0.2421 -0.0301 332 ILE A C 749 O O . ILE A 95 ? 1.5130 1.5204 1.2408 -0.0054 0.2496 -0.0647 332 ILE A O 750 C CB . ILE A 95 ? 1.6869 1.7269 1.2945 0.0148 0.1855 -0.0321 332 ILE A CB 751 C CG1 . ILE A 95 ? 2.0446 2.0874 1.6173 0.0263 0.1652 0.0074 332 ILE A CG1 752 C CG2 . ILE A 95 ? 1.7380 1.7642 1.4213 0.0097 0.1709 -0.0352 332 ILE A CG2 753 C CD1 . ILE A 95 ? 2.3526 2.4138 1.8433 0.0368 0.1634 0.0237 332 ILE A CD1 754 N N . GLU A 96 ? 1.2357 1.2239 0.9645 0.0034 0.2418 0.0020 333 GLU A N 755 C CA . GLU A 96 ? 1.3173 1.2913 1.1245 -0.0039 0.2460 -0.0047 333 GLU A CA 756 C C . GLU A 96 ? 1.2170 1.1840 1.0664 -0.0022 0.2177 0.0092 333 GLU A C 757 O O . GLU A 96 ? 1.0865 1.0516 0.9135 0.0047 0.2038 0.0364 333 GLU A O 758 C CB . GLU A 96 ? 1.2677 1.2276 1.0962 -0.0077 0.2846 0.0092 333 GLU A CB 759 C CG . GLU A 96 ? 1.6434 1.6099 1.4602 -0.0125 0.3138 -0.0170 333 GLU A CG 760 C CD . GLU A 96 ? 1.7972 1.7508 1.6521 -0.0177 0.3508 -0.0075 333 GLU A CD 761 O OE1 . GLU A 96 ? 1.8052 1.7623 1.6822 -0.0233 0.3718 -0.0336 333 GLU A OE1 762 O OE2 . GLU A 96 ? 1.9360 1.8762 1.8028 -0.0163 0.3594 0.0253 333 GLU A OE2 763 N N . LYS A 97 ? 0.9761 0.9407 0.8862 -0.0080 0.2093 -0.0102 334 LYS A N 764 C CA . LYS A 97 ? 1.1723 1.1303 1.1286 -0.0074 0.1886 0.0016 334 LYS A CA 765 C C . LYS A 97 ? 1.1099 1.0617 1.1333 -0.0138 0.1987 -0.0100 334 LYS A C 766 O O . LYS A 97 ? 1.0611 1.0183 1.1053 -0.0179 0.2033 -0.0364 334 LYS A O 767 C CB . LYS A 97 ? 1.1827 1.1519 1.1356 -0.0048 0.1536 -0.0098 334 LYS A CB 768 C CG . LYS A 97 ? 0.8357 0.8162 0.7270 0.0024 0.1375 -0.0010 334 LYS A CG 769 C CD . LYS A 97 ? 1.0401 1.0128 0.9196 0.0097 0.1311 0.0360 334 LYS A CD 770 C CE . LYS A 97 ? 1.4079 1.3948 1.2238 0.0187 0.1148 0.0467 334 LYS A CE 771 N NZ . LYS A 97 ? 1.3669 1.3602 1.1242 0.0205 0.1366 0.0470 334 LYS A NZ 772 N N . THR A 98 ? 0.9695 0.9110 1.0281 -0.0142 0.2019 0.0096 335 THR A N 773 C CA . THR A 98 ? 0.9620 0.9013 1.0847 -0.0191 0.2068 0.0011 335 THR A CA 774 C C . THR A 98 ? 1.0925 1.0338 1.2448 -0.0169 0.1786 0.0050 335 THR A C 775 O O . THR A 98 ? 1.0656 1.0040 1.1985 -0.0125 0.1644 0.0225 335 THR A O 776 C CB . THR A 98 ? 0.9546 0.8837 1.0998 -0.0222 0.2345 0.0162 335 THR A CB 777 O OG1 . THR A 98 ? 1.1857 1.1141 1.3060 -0.0244 0.2636 0.0115 335 THR A OG1 778 C CG2 . THR A 98 ? 0.8612 0.7925 1.0743 -0.0265 0.2348 0.0067 335 THR A CG2 779 N N . ILE A 99 ? 1.0201 0.9674 1.2189 -0.0193 0.1708 -0.0105 336 ILE A N 780 C CA . ILE A 99 ? 0.7507 0.7016 0.9783 -0.0172 0.1470 -0.0071 336 ILE A CA 781 C C . ILE A 99 ? 0.8200 0.7752 1.1036 -0.0199 0.1520 -0.0142 336 ILE A C 782 O O . ILE A 99 ? 0.8771 0.8341 1.1785 -0.0229 0.1694 -0.0259 336 ILE A O 783 C CB . ILE A 99 ? 1.0106 0.9696 1.2291 -0.0152 0.1245 -0.0195 336 ILE A CB 784 C CG1 . ILE A 99 ? 1.2906 1.2507 1.5035 -0.0111 0.1013 -0.0062 336 ILE A CG1 785 C CG2 . ILE A 99 ? 0.9468 0.9127 1.2089 -0.0169 0.1221 -0.0371 336 ILE A CG2 786 C CD1 . ILE A 99 ? 1.4168 1.3858 1.6516 -0.0102 0.0805 -0.0170 336 ILE A CD1 787 N N . SER A 100 ? 0.6846 0.6432 0.9957 -0.0184 0.1370 -0.0075 337 SER A N 788 C CA . SER A 100 ? 0.6837 0.6480 1.0244 -0.0125 0.1278 -0.0163 337 SER A CA 789 C C . SER A 100 ? 0.6256 0.5972 0.9682 -0.0046 0.1046 -0.0106 337 SER A C 790 O O . SER A 100 ? 0.7773 0.7498 1.1094 -0.0063 0.0974 -0.0005 337 SER A O 791 C CB . SER A 100 ? 0.9309 0.8878 1.2791 -0.0115 0.1416 -0.0168 337 SER A CB 792 O OG . SER A 100 ? 0.9778 0.9345 1.3275 -0.0077 0.1366 -0.0072 337 SER A OG 793 N N . LYS A 101 ? 0.5578 0.5349 0.8968 -0.0022 0.0892 -0.0145 338 LYS A N 794 C CA . LYS A 101 ? 0.3403 0.3238 0.6658 0.0002 0.0690 -0.0099 338 LYS A CA 795 C C . LYS A 101 ? 0.5975 0.5804 0.9282 0.0014 0.0741 -0.0040 338 LYS A C 796 O O . LYS A 101 ? 0.8204 0.7965 1.1646 0.0008 0.0933 -0.0016 338 LYS A O 797 C CB . LYS A 101 ? 0.5086 0.4926 0.8282 -0.0008 0.0585 -0.0148 338 LYS A CB 798 C CG . LYS A 101 ? 0.3392 0.3256 0.6470 -0.0006 0.0443 -0.0128 338 LYS A CG 799 C CD . LYS A 101 ? 0.7686 0.7556 1.0869 -0.0018 0.0440 -0.0184 338 LYS A CD 800 C CE . LYS A 101 ? 0.7001 0.6902 1.0145 -0.0017 0.0335 -0.0191 338 LYS A CE 801 N NZ . LYS A 101 ? 0.6532 0.6453 0.9509 -0.0013 0.0231 -0.0141 338 LYS A NZ 802 N N . ALA A 102 ? 0.6633 0.6504 0.9833 0.0027 0.0598 -0.0013 339 ALA A N 803 C CA . ALA A 102 ? 0.5191 0.5065 0.8480 0.0035 0.0645 0.0028 339 ALA A CA 804 C C . ALA A 102 ? 0.9073 0.8925 1.2419 0.0025 0.0644 -0.0054 339 ALA A C 805 O O . ALA A 102 ? 0.9698 0.9555 1.2950 0.0013 0.0526 -0.0114 339 ALA A O 806 C CB . ALA A 102 ? 0.6118 0.6045 0.9293 0.0046 0.0508 0.0073 339 ALA A CB 807 N N . LYS A 103 ? 0.8877 0.8693 1.2412 0.0023 0.0794 -0.0047 340 LYS A N 808 C CA . LYS A 103 ? 0.6971 0.6771 1.0640 0.0008 0.0816 -0.0136 340 LYS A CA 809 C C . LYS A 103 ? 0.9482 0.9315 1.3157 0.0011 0.0715 -0.0168 340 LYS A C 810 O O . LYS A 103 ? 1.1703 1.1557 1.5332 0.0027 0.0688 -0.0103 340 LYS A O 811 C CB . LYS A 103 ? 0.6701 0.6426 1.0584 0.0003 0.1044 -0.0111 340 LYS A CB 812 C CG . LYS A 103 ? 0.7708 0.7364 1.1573 -0.0004 0.1186 -0.0089 340 LYS A CG 813 C CD . LYS A 103 ? 0.7110 0.6802 1.0923 -0.0023 0.1086 -0.0187 340 LYS A CD 814 C CE . LYS A 103 ? 0.5928 0.5565 0.9704 -0.0035 0.1199 -0.0186 340 LYS A CE 815 N NZ . LYS A 103 ? 0.8750 0.8247 1.2619 -0.0040 0.1481 -0.0137 340 LYS A NZ 816 N N . GLY A 104 ? 0.4753 0.4596 0.8509 -0.0007 0.0661 -0.0276 341 GLY A N 817 C CA . GLY A 104 ? 0.3464 0.3331 0.7239 -0.0010 0.0578 -0.0330 341 GLY A CA 818 C C . GLY A 104 ? 0.3993 0.3904 0.7689 -0.0025 0.0437 -0.0414 341 GLY A C 819 O O . GLY A 104 ? 0.4484 0.4404 0.8055 -0.0025 0.0388 -0.0384 341 GLY A O 820 N N . GLN A 105 ? 0.3936 0.3888 0.7753 -0.0033 0.0387 -0.0525 342 GLN A N 821 C CA . GLN A 105 ? 0.6085 0.6110 0.9952 -0.0036 0.0276 -0.0636 342 GLN A CA 822 C C . GLN A 105 ? 0.5134 0.5169 0.8789 -0.0023 0.0176 -0.0570 342 GLN A C 823 O O . GLN A 105 ? 0.9251 0.9278 1.2802 -0.0019 0.0151 -0.0544 342 GLN A O 824 C CB . GLN A 105 ? 0.9732 0.9823 1.3827 -0.0041 0.0253 -0.0807 342 GLN A CB 825 C CG . GLN A 105 ? 1.0092 1.0244 1.4501 -0.0053 0.0276 -0.0970 342 GLN A CG 826 C CD . GLN A 105 ? 0.9910 1.0144 1.4410 -0.0040 0.0176 -0.1056 342 GLN A CD 827 O OE1 . GLN A 105 ? 1.0902 1.1334 1.5338 -0.0028 0.0055 -0.1115 342 GLN A OE1 828 N NE2 . GLN A 105 ? 0.8996 0.9200 1.3558 -0.0048 0.0222 -0.1011 342 GLN A NE2 829 N N . PRO A 106 ? 0.4370 0.4419 0.7987 -0.0018 0.0128 -0.0539 343 PRO A N 830 C CA . PRO A 106 ? 0.7691 0.7745 1.1150 -0.0006 0.0045 -0.0472 343 PRO A CA 831 C C . PRO A 106 ? 0.5799 0.6024 0.9286 0.0009 -0.0043 -0.0563 343 PRO A C 832 O O . PRO A 106 ? 1.0429 1.0819 1.4067 0.0015 -0.0073 -0.0682 343 PRO A O 833 C CB . PRO A 106 ? 0.5928 0.6000 0.9395 -0.0002 0.0025 -0.0422 343 PRO A CB 834 C CG . PRO A 106 ? 0.3867 0.3887 0.7367 -0.0015 0.0126 -0.0410 343 PRO A CG 835 C CD . PRO A 106 ? 0.4102 0.4143 0.7795 -0.0022 0.0166 -0.0525 343 PRO A CD 836 N N . ARG A 107 ? 0.6984 0.7224 1.0311 0.0018 -0.0081 -0.0508 344 ARG A N 837 C CA . ARG A 107 ? 0.7181 0.7645 1.0492 0.0042 -0.0150 -0.0587 344 ARG A CA 838 C C . ARG A 107 ? 0.5049 0.5660 0.8172 0.0075 -0.0208 -0.0478 344 ARG A C 839 O O . ARG A 107 ? 0.8023 0.8491 1.1019 0.0066 -0.0190 -0.0358 344 ARG A O 840 C CB . ARG A 107 ? 0.6328 0.6697 0.9687 0.0029 -0.0120 -0.0658 344 ARG A CB 841 C CG . ARG A 107 ? 0.9748 0.9974 1.3327 0.0008 -0.0044 -0.0757 344 ARG A CG 842 C CD . ARG A 107 ? 1.7983 1.8340 2.1742 0.0010 -0.0057 -0.0954 344 ARG A CD 843 N NE . ARG A 107 ? 2.1833 2.2044 2.5707 -0.0009 0.0043 -0.0954 344 ARG A NE 844 C CZ . ARG A 107 ? 2.0722 2.0930 2.4633 -0.0013 0.0066 -0.0989 344 ARG A CZ 845 N NH1 . ARG A 107 ? 1.8733 1.9024 2.2633 0.0001 0.0000 -0.1096 344 ARG A NH1 846 N NH2 . ARG A 107 ? 2.1163 2.1291 2.5182 -0.0025 0.0165 -0.0934 344 ARG A NH2 847 N N . GLU A 108 ? 0.2248 0.3169 0.5372 0.0117 -0.0276 -0.0520 345 GLU A N 848 C CA . GLU A 108 ? 0.6637 0.7772 0.9612 0.0169 -0.0323 -0.0408 345 GLU A CA 849 C C . GLU A 108 ? 0.5931 0.7035 0.8796 0.0172 -0.0312 -0.0387 345 GLU A C 850 O O . GLU A 108 ? 0.7139 0.8317 1.0058 0.0170 -0.0319 -0.0504 345 GLU A O 851 C CB . GLU A 108 ? 0.4811 0.6339 0.7846 0.0223 -0.0397 -0.0451 345 GLU A CB 852 C CG . GLU A 108 ? 0.5493 0.7286 0.8429 0.0298 -0.0438 -0.0286 345 GLU A CG 853 C CD . GLU A 108 ? 0.7789 1.0010 1.0792 0.0356 -0.0523 -0.0298 345 GLU A CD 854 O OE1 . GLU A 108 ? 0.7274 0.9651 1.0277 0.0360 -0.0556 -0.0371 345 GLU A OE1 855 O OE2 . GLU A 108 ? 1.1253 1.3643 1.4329 0.0396 -0.0563 -0.0237 345 GLU A OE2 856 N N . PRO A 109 ? 0.4127 0.5112 0.6866 0.0173 -0.0293 -0.0253 346 PRO A N 857 C CA . PRO A 109 ? 0.8350 0.9345 1.0994 0.0186 -0.0287 -0.0210 346 PRO A CA 858 C C . PRO A 109 ? 0.7932 0.9317 1.0543 0.0257 -0.0326 -0.0209 346 PRO A C 859 O O . PRO A 109 ? 0.5226 0.6866 0.7821 0.0313 -0.0359 -0.0140 346 PRO A O 860 C CB . PRO A 109 ? 0.3911 0.4756 0.6470 0.0176 -0.0268 -0.0067 346 PRO A CB 861 C CG . PRO A 109 ? 0.3291 0.4196 0.5888 0.0191 -0.0280 -0.0028 346 PRO A CG 862 C CD . PRO A 109 ? 0.5769 0.6617 0.8478 0.0162 -0.0276 -0.0141 346 PRO A CD 863 N N . GLN A 110 ? 0.7383 0.8829 1.0003 0.0260 -0.0320 -0.0277 347 GLN A N 864 C CA . GLN A 110 ? 0.6098 0.7908 0.8690 0.0325 -0.0343 -0.0250 347 GLN A CA 865 C C . GLN A 110 ? 0.7693 0.9455 1.0179 0.0349 -0.0307 -0.0131 347 GLN A C 866 O O . GLN A 110 ? 0.7749 0.9187 1.0226 0.0296 -0.0276 -0.0135 347 GLN A O 867 C CB . GLN A 110 ? 0.4442 0.6301 0.7141 0.0305 -0.0347 -0.0436 347 GLN A CB 868 C CG . GLN A 110 ? 0.9030 1.0777 1.1868 0.0257 -0.0361 -0.0620 347 GLN A CG 869 C CD . GLN A 110 ? 1.1437 1.3120 1.4409 0.0226 -0.0338 -0.0836 347 GLN A CD 870 O OE1 . GLN A 110 ? 0.9552 1.1402 1.2522 0.0252 -0.0338 -0.0894 347 GLN A OE1 871 N NE2 . GLN A 110 ? 1.0280 1.1718 1.3400 0.0173 -0.0308 -0.0958 347 GLN A NE2 872 N N . VAL A 111 ? 0.6943 0.9043 0.9370 0.0432 -0.0312 -0.0017 348 VAL A N 873 C CA . VAL A 111 ? 0.3625 0.5687 0.5964 0.0470 -0.0283 0.0048 348 VAL A CA 874 C C . VAL A 111 ? 0.3197 0.5566 0.5488 0.0533 -0.0259 0.0080 348 VAL A C 875 O O . VAL A 111 ? 0.4026 0.6536 0.6419 0.0531 -0.0262 0.0275 348 VAL A O 876 C CB . VAL A 111 ? 0.2109 0.4106 0.4424 0.0501 -0.0307 0.0112 348 VAL A CB 877 C CG1 . VAL A 111 ? 0.4347 0.6264 0.6670 0.0520 -0.0284 0.0202 348 VAL A CG1 878 C CG2 . VAL A 111 ? 0.4573 0.6164 0.6921 0.0397 -0.0288 0.0151 348 VAL A CG2 879 N N . TYR A 112 ? 0.9714 1.1998 1.2048 0.0520 -0.0220 0.0053 349 TYR A N 880 C CA . TYR A 112 ? 0.9087 1.1574 1.1409 0.0557 -0.0170 0.0127 349 TYR A CA 881 C C . TYR A 112 ? 0.7869 1.0261 1.0169 0.0589 -0.0171 -0.0009 349 TYR A C 882 O O . TYR A 112 ? 0.8205 1.0303 1.0581 0.0524 -0.0147 0.0061 349 TYR A O 883 C CB . TYR A 112 ? 0.4825 0.7307 0.7435 0.0521 -0.0164 0.0001 349 TYR A CB 884 C CG . TYR A 112 ? 0.5027 0.7494 0.7709 0.0481 -0.0233 -0.0200 349 TYR A CG 885 C CD1 . TYR A 112 ? 0.4504 0.7269 0.7264 0.0526 -0.0305 -0.0308 349 TYR A CD1 886 C CD2 . TYR A 112 ? 0.5568 0.7739 0.8222 0.0408 -0.0236 -0.0330 349 TYR A CD2 887 C CE1 . TYR A 112 ? 0.7134 0.9949 0.9911 0.0500 -0.0370 -0.0535 349 TYR A CE1 888 C CE2 . TYR A 112 ? 0.5411 0.7585 0.8155 0.0376 -0.0282 -0.0524 349 TYR A CE2 889 C CZ . TYR A 112 ? 0.7960 1.0466 1.0762 0.0420 -0.0349 -0.0632 349 TYR A CZ 890 O OH . TYR A 112 ? 0.5896 0.8436 0.8783 0.0390 -0.0400 -0.0861 349 TYR A OH 891 N N . THR A 113 ? 0.2683 0.5137 0.5252 0.0629 -0.0192 -0.0053 350 THR A N 892 C CA . THR A 113 ? 0.4878 0.7281 0.7470 0.0632 -0.0112 0.0107 350 THR A CA 893 C C . THR A 113 ? 0.4901 0.7494 0.7654 0.0658 -0.0042 0.0030 350 THR A C 894 O O . THR A 113 ? 0.8760 1.1596 1.1705 0.0698 -0.0004 0.0035 350 THR A O 895 C CB . THR A 113 ? 0.6391 0.8767 0.8972 0.0654 -0.0069 0.0387 350 THR A CB 896 O OG1 . THR A 113 ? 0.5036 0.7785 0.7645 0.0750 -0.0054 0.0500 350 THR A OG1 897 C CG2 . THR A 113 ? 0.3409 0.5538 0.5876 0.0609 -0.0120 0.0431 350 THR A CG2 898 N N . LEU A 114 ? 0.7616 1.0057 1.0285 0.0621 0.0006 0.0063 351 LEU A N 899 C CA . LEU A 114 ? 0.5783 0.8398 0.8549 0.0646 0.0076 -0.0016 351 LEU A CA 900 C C . LEU A 114 ? 0.7455 0.9977 1.0321 0.0631 0.0168 0.0133 351 LEU A C 901 O O . LEU A 114 ? 0.9651 1.1853 1.2463 0.0565 0.0157 0.0240 351 LEU A O 902 C CB . LEU A 114 ? 0.6383 0.8770 0.9049 0.0592 0.0068 -0.0001 351 LEU A CB 903 C CG . LEU A 114 ? 0.5554 0.7951 0.8210 0.0578 0.0040 -0.0029 351 LEU A CG 904 C CD1 . LEU A 114 ? 0.2161 0.4157 0.4871 0.0488 0.0017 -0.0116 351 LEU A CD1 905 C CD2 . LEU A 114 ? 0.6454 0.9155 0.9329 0.0634 0.0110 -0.0052 351 LEU A CD2 906 N N . PRO A 115 ? 0.2929 0.5735 0.5949 0.0692 0.0281 0.0169 352 PRO A N 907 C CA . PRO A 115 ? 0.4704 0.7516 0.7798 0.0698 0.0410 0.0342 352 PRO A CA 908 C C . PRO A 115 ? 0.7382 1.0066 1.0543 0.0655 0.0420 0.0229 352 PRO A C 909 O O . PRO A 115 ? 0.6902 0.9625 1.0032 0.0659 0.0373 0.0058 352 PRO A O 910 C CB . PRO A 115 ? 0.1982 0.5221 0.5094 0.0800 0.0556 0.0412 352 PRO A CB 911 C CG . PRO A 115 ? 0.6626 1.0037 0.9767 0.0821 0.0512 0.0177 352 PRO A CG 912 C CD . PRO A 115 ? 0.3694 0.6830 0.6820 0.0755 0.0330 0.0075 352 PRO A CD 913 N N . PRO A 116 ? 0.6203 0.8739 0.9452 0.0623 0.0488 0.0382 353 PRO A N 914 C CA . PRO A 116 ? 0.6686 0.9108 1.0050 0.0590 0.0515 0.0343 353 PRO A CA 915 C C . PRO A 116 ? 0.5953 0.8653 0.9391 0.0644 0.0585 0.0167 353 PRO A C 916 O O . PRO A 116 ? 0.7914 1.0969 1.1398 0.0710 0.0704 0.0115 353 PRO A O 917 C CB . PRO A 116 ? 0.6087 0.8528 0.9594 0.0592 0.0646 0.0538 353 PRO A CB 918 C CG . PRO A 116 ? 0.3285 0.5648 0.6719 0.0591 0.0632 0.0717 353 PRO A CG 919 C CD . PRO A 116 ? 0.6503 0.9001 0.9776 0.0630 0.0560 0.0641 353 PRO A CD 920 N N . SER A 117 ? 0.6031 0.8550 0.9501 0.0616 0.0534 0.0093 354 SER A N 921 C CA . SER A 117 ? 0.9236 1.1935 1.2833 0.0662 0.0626 -0.0023 354 SER A CA 922 C C . SER A 117 ? 0.8056 1.0968 1.1811 0.0689 0.0789 0.0022 354 SER A C 923 O O . SER A 117 ? 0.6201 0.8948 1.0030 0.0643 0.0802 0.0168 354 SER A O 924 C CB . SER A 117 ? 0.8657 1.1005 1.2339 0.0604 0.0549 -0.0055 354 SER A CB 925 O OG . SER A 117 ? 0.9878 1.2326 1.3716 0.0641 0.0631 -0.0181 354 SER A OG 926 N N . ARG A 118 ? 0.5471 0.8741 0.9280 0.0763 0.0932 -0.0093 355 ARG A N 927 C CA . ARG A 118 ? 0.6198 0.9662 1.0156 0.0782 0.1118 -0.0069 355 ARG A CA 928 C C . ARG A 118 ? 0.7482 1.0623 1.1627 0.0720 0.1087 0.0015 355 ARG A C 929 O O . ARG A 118 ? 0.6829 0.9958 1.1097 0.0697 0.1184 0.0143 355 ARG A O 930 C CB . ARG A 118 ? 0.7208 1.1042 1.1176 0.0875 0.1270 -0.0231 355 ARG A CB 931 C CG . ARG A 118 ? 0.7554 1.1747 1.1316 0.0935 0.1351 -0.0330 355 ARG A CG 932 C CD . ARG A 118 ? 0.9821 1.4160 1.3742 0.0893 0.1635 -0.0341 355 ARG A CD 933 N NE . ARG A 118 ? 1.3590 1.8073 1.7407 0.0978 0.1886 -0.0369 355 ARG A NE 934 C CZ . ARG A 118 ? 1.6354 2.1179 1.9827 0.1052 0.2060 -0.0241 355 ARG A CZ 935 N NH1 . ARG A 118 ? 1.7051 2.1883 2.0494 0.1040 0.2121 0.0031 355 ARG A NH1 936 N NH2 . ARG A 118 ? 1.7258 2.2420 2.0363 0.1145 0.2152 -0.0376 355 ARG A NH2 937 N N . ASP A 119 ? 0.5575 0.8436 0.9762 0.0687 0.0958 -0.0048 356 ASP A N 938 C CA . ASP A 119 ? 0.5470 0.8078 0.9871 0.0637 0.0932 -0.0017 356 ASP A CA 939 C C . ASP A 119 ? 0.6668 0.9016 1.1097 0.0565 0.0849 0.0140 356 ASP A C 940 O O . ASP A 119 ? 0.9737 1.1903 1.4357 0.0525 0.0820 0.0168 356 ASP A O 941 C CB . ASP A 119 ? 0.7809 1.0183 1.2266 0.0618 0.0826 -0.0126 356 ASP A CB 942 C CG . ASP A 119 ? 0.9802 1.2371 1.4334 0.0680 0.0934 -0.0295 356 ASP A CG 943 O OD1 . ASP A 119 ? 0.7740 1.0649 1.2287 0.0744 0.1104 -0.0332 356 ASP A OD1 944 O OD2 . ASP A 119 ? 0.9918 1.2292 1.4505 0.0661 0.0861 -0.0395 356 ASP A OD2 945 N N . GLU A 120 ? 0.9074 1.1405 1.3334 0.0552 0.0813 0.0236 357 GLU A N 946 C CA . GLU A 120 ? 0.7164 0.9231 1.1453 0.0485 0.0741 0.0373 357 GLU A CA 947 C C . GLU A 120 ? 1.0138 1.2332 1.4556 0.0496 0.0895 0.0521 357 GLU A C 948 O O . GLU A 120 ? 1.0492 1.2492 1.5024 0.0447 0.0878 0.0643 357 GLU A O 949 C CB . GLU A 120 ? 0.6931 0.8832 1.0996 0.0456 0.0611 0.0404 357 GLU A CB 950 C CG . GLU A 120 ? 0.8807 1.0378 1.2962 0.0378 0.0520 0.0504 357 GLU A CG 951 C CD . GLU A 120 ? 1.0629 1.2032 1.4575 0.0346 0.0405 0.0517 357 GLU A CD 952 O OE1 . GLU A 120 ? 0.8902 1.0456 1.2645 0.0388 0.0410 0.0487 357 GLU A OE1 953 O OE2 . GLU A 120 ? 0.8909 1.0054 1.2907 0.0280 0.0312 0.0544 357 GLU A OE2 954 N N . LEU A 121 ? 1.0242 1.2767 1.4651 0.0562 0.1061 0.0514 358 LEU A N 955 C CA . LEU A 121 ? 1.1699 1.4352 1.6212 0.0580 0.1246 0.0695 358 LEU A CA 956 C C . LEU A 121 ? 0.9862 1.2435 1.4679 0.0548 0.1335 0.0742 358 LEU A C 957 O O . LEU A 121 ? 1.1096 1.3684 1.6045 0.0549 0.1478 0.0920 358 LEU A O 958 C CB . LEU A 121 ? 1.1853 1.4904 1.6240 0.0661 0.1426 0.0681 358 LEU A CB 959 C CG . LEU A 121 ? 0.9895 1.3042 1.4029 0.0701 0.1386 0.0740 358 LEU A CG 960 C CD1 . LEU A 121 ? 0.9493 1.2355 1.3610 0.0665 0.1296 0.0964 358 LEU A CD1 961 C CD2 . LEU A 121 ? 1.1267 1.4455 1.5265 0.0709 0.1232 0.0499 358 LEU A CD2 962 N N . THR A 122 ? 1.1148 1.3623 1.6093 0.0525 0.1253 0.0598 359 THR A N 963 C CA . THR A 122 ? 1.1523 1.3894 1.6789 0.0489 0.1300 0.0627 359 THR A CA 964 C C . THR A 122 ? 1.0874 1.2962 1.6253 0.0425 0.1214 0.0756 359 THR A C 965 O O . THR A 122 ? 0.7929 0.9970 1.3593 0.0402 0.1303 0.0837 359 THR A O 966 C CB . THR A 122 ? 0.8784 1.1077 1.4181 0.0481 0.1206 0.0464 359 THR A CB 967 O OG1 . THR A 122 ? 0.8425 1.0451 1.3710 0.0440 0.0986 0.0421 359 THR A OG1 968 C CG2 . THR A 122 ? 0.7063 0.9616 1.2389 0.0548 0.1297 0.0321 359 THR A CG2 969 N N . LYS A 123 ? 0.9466 1.1374 1.4638 0.0397 0.1052 0.0764 360 LYS A N 970 C CA . LYS A 123 ? 0.8120 0.9759 1.3396 0.0335 0.0955 0.0838 360 LYS A CA 971 C C . LYS A 123 ? 0.8867 1.0486 1.4182 0.0341 0.1061 0.1034 360 LYS A C 972 O O . LYS A 123 ? 0.7661 0.9485 1.2895 0.0399 0.1213 0.1142 360 LYS A O 973 C CB . LYS A 123 ? 0.4420 0.5847 0.9525 0.0299 0.0756 0.0766 360 LYS A CB 974 C CG . LYS A 123 ? 0.3935 0.5408 0.8908 0.0320 0.0682 0.0623 360 LYS A CG 975 C CD . LYS A 123 ? 0.7447 0.8860 1.2686 0.0304 0.0648 0.0541 360 LYS A CD 976 C CE . LYS A 123 ? 0.6049 0.7253 1.1239 0.0267 0.0466 0.0471 360 LYS A CE 977 N NZ . LYS A 123 ? 0.6534 0.7557 1.1633 0.0217 0.0370 0.0529 360 LYS A NZ 978 N N . ASN A 124 ? 1.0215 1.1593 1.5669 0.0289 0.0984 0.1082 361 ASN A N 979 C CA . ASN A 124 ? 1.1552 1.2852 1.7113 0.0296 0.1076 0.1274 361 ASN A CA 980 C C . ASN A 124 ? 1.0205 1.1324 1.5568 0.0269 0.0932 0.1275 361 ASN A C 981 O O . ASN A 124 ? 0.8538 0.9516 1.4033 0.0264 0.0960 0.1400 361 ASN A O 982 C CB . ASN A 124 ? 1.2059 1.3241 1.8050 0.0267 0.1147 0.1323 361 ASN A CB 983 C CG . ASN A 124 ? 1.3465 1.4493 1.9606 0.0204 0.0977 0.1143 361 ASN A CG 984 O OD1 . ASN A 124 ? 1.5565 1.6472 2.1535 0.0175 0.0804 0.1043 361 ASN A OD1 985 N ND2 . ASN A 124 ? 1.1811 1.2842 1.8326 0.0188 0.1040 0.1119 361 ASN A ND2 986 N N . GLN A 125 ? 1.0827 1.1943 1.5901 0.0255 0.0787 0.1129 362 GLN A N 987 C CA . GLN A 125 ? 0.7935 0.8931 1.2770 0.0237 0.0674 0.1124 362 GLN A CA 988 C C . GLN A 125 ? 0.9144 1.0285 1.3670 0.0268 0.0623 0.1023 362 GLN A C 989 O O . GLN A 125 ? 0.7660 0.8868 1.2196 0.0275 0.0599 0.0904 362 GLN A O 990 C CB . GLN A 125 ? 1.1381 1.2120 1.6322 0.0167 0.0528 0.1036 362 GLN A CB 991 C CG . GLN A 125 ? 1.2158 1.2740 1.7380 0.0145 0.0558 0.1113 362 GLN A CG 992 C CD . GLN A 125 ? 1.2768 1.3147 1.7947 0.0098 0.0420 0.1038 362 GLN A CD 993 O OE1 . GLN A 125 ? 1.2612 1.2941 1.7675 0.0067 0.0288 0.0902 362 GLN A OE1 994 N NE2 . GLN A 125 ? 1.2143 1.2411 1.7421 0.0100 0.0459 0.1129 362 GLN A NE2 995 N N . VAL A 126 ? 1.1396 1.2587 1.5679 0.0292 0.0607 0.1065 363 VAL A N 996 C CA . VAL A 126 ? 0.8284 0.9664 1.2312 0.0338 0.0581 0.0963 363 VAL A CA 997 C C . VAL A 126 ? 0.8782 1.0035 1.2591 0.0313 0.0455 0.0913 363 VAL A C 998 O O . VAL A 126 ? 1.3148 1.4241 1.6956 0.0277 0.0427 0.0999 363 VAL A O 999 C CB . VAL A 126 ? 0.6925 0.8609 1.0956 0.0424 0.0739 0.1079 363 VAL A CB 1000 C CG1 . VAL A 126 ? 0.5843 0.7651 0.9639 0.0469 0.0705 0.1096 363 VAL A CG1 1001 C CG2 . VAL A 126 ? 0.4966 0.6883 0.9069 0.0464 0.0827 0.0973 363 VAL A CG2 1002 N N . SER A 127 ? 0.5329 0.6648 0.8982 0.0329 0.0391 0.0771 364 SER A N 1003 C CA . SER A 127 ? 0.6588 0.7779 1.0054 0.0301 0.0282 0.0712 364 SER A CA 1004 C C . SER A 127 ? 0.5261 0.6666 0.8525 0.0364 0.0285 0.0685 364 SER A C 1005 O O . SER A 127 ? 0.5436 0.7100 0.8650 0.0428 0.0316 0.0583 364 SER A O 1006 C CB . SER A 127 ? 0.6236 0.7291 0.9702 0.0267 0.0197 0.0583 364 SER A CB 1007 O OG . SER A 127 ? 0.7981 0.8881 1.1649 0.0220 0.0178 0.0593 364 SER A OG 1008 N N . LEU A 128 ? 0.5566 0.6877 0.8741 0.0345 0.0252 0.0759 365 LEU A N 1009 C CA . LEU A 128 ? 0.2166 0.3640 0.5169 0.0395 0.0224 0.0725 365 LEU A CA 1010 C C . LEU A 128 ? 0.5713 0.7011 0.8606 0.0347 0.0124 0.0617 365 LEU A C 1011 O O . LEU A 128 ? 0.3478 0.4504 0.6404 0.0269 0.0083 0.0642 365 LEU A O 1012 C CB . LEU A 128 ? 0.5695 0.7175 0.8699 0.0408 0.0263 0.0901 365 LEU A CB 1013 C CG . LEU A 128 ? 0.8721 1.0369 1.1893 0.0463 0.0400 0.1094 365 LEU A CG 1014 C CD1 . LEU A 128 ? 0.6055 0.7700 0.9287 0.0488 0.0464 0.1349 365 LEU A CD1 1015 C CD2 . LEU A 128 ? 0.7935 0.9942 1.1089 0.0556 0.0460 0.1048 365 LEU A CD2 1016 N N . THR A 129 ? 0.4578 0.6052 0.7365 0.0395 0.0092 0.0486 366 THR A N 1017 C CA . THR A 129 ? 0.4537 0.5848 0.7248 0.0353 0.0019 0.0391 366 THR A CA 1018 C C . THR A 129 ? 0.7308 0.8715 0.9900 0.0379 -0.0021 0.0360 366 THR A C 1019 O O . THR A 129 ? 0.4954 0.6676 0.7511 0.0461 -0.0017 0.0308 366 THR A O 1020 C CB . THR A 129 ? 0.5674 0.7050 0.8420 0.0370 0.0019 0.0259 366 THR A CB 1021 O OG1 . THR A 129 ? 0.6160 0.7370 0.9035 0.0329 0.0034 0.0286 366 THR A OG1 1022 C CG2 . THR A 129 ? 0.4667 0.5899 0.7359 0.0334 -0.0037 0.0173 366 THR A CG2 1023 N N . CYS A 130 ? 0.4581 0.5738 0.7132 0.0312 -0.0063 0.0375 367 CYS A N 1024 C CA . CYS A 130 ? 0.5944 0.7173 0.8411 0.0331 -0.0100 0.0336 367 CYS A CA 1025 C C . CYS A 130 ? 0.5114 0.6179 0.7567 0.0283 -0.0133 0.0237 367 CYS A C 1026 O O . CYS A 130 ? 0.4471 0.5250 0.6947 0.0207 -0.0146 0.0261 367 CYS A O 1027 C CB . CYS A 130 ? 1.2015 1.3095 1.4482 0.0292 -0.0100 0.0453 367 CYS A CB 1028 S SG . CYS A 130 ? 0.8057 0.9298 1.0456 0.0341 -0.0138 0.0428 367 CYS A SG 1029 N N . LEU A 131 ? 0.3026 0.4291 0.5467 0.0326 -0.0144 0.0127 368 LEU A N 1030 C CA . LEU A 131 ? 0.2679 0.3774 0.5151 0.0278 -0.0164 0.0033 368 LEU A CA 1031 C C . LEU A 131 ? 0.6903 0.8025 0.9337 0.0275 -0.0192 0.0012 368 LEU A C 1032 O O . LEU A 131 ? 0.7888 0.9318 1.0298 0.0337 -0.0203 -0.0008 368 LEU A O 1033 C CB . LEU A 131 ? 0.3273 0.4532 0.5820 0.0309 -0.0148 -0.0085 368 LEU A CB 1034 C CG . LEU A 131 ? 0.4748 0.5951 0.7369 0.0281 -0.0163 -0.0220 368 LEU A CG 1035 C CD1 . LEU A 131 ? 0.3737 0.4572 0.6423 0.0209 -0.0168 -0.0232 368 LEU A CD1 1036 C CD2 . LEU A 131 ? 0.3982 0.5412 0.6703 0.0317 -0.0137 -0.0350 368 LEU A CD2 1037 N N . VAL A 132 ? 0.5558 0.6389 0.8000 0.0207 -0.0203 0.0022 369 VAL A N 1038 C CA . VAL A 132 ? 0.4054 0.4862 0.6487 0.0195 -0.0220 0.0005 369 VAL A CA 1039 C C . VAL A 132 ? 0.5219 0.5844 0.7729 0.0149 -0.0218 -0.0090 369 VAL A C 1040 O O . VAL A 132 ? 0.8781 0.9159 1.1306 0.0096 -0.0209 -0.0053 369 VAL A O 1041 C CB . VAL A 132 ? 0.5118 0.5750 0.7518 0.0156 -0.0216 0.0113 369 VAL A CB 1042 C CG1 . VAL A 132 ? 0.4489 0.5118 0.6899 0.0151 -0.0227 0.0101 369 VAL A CG1 1043 C CG2 . VAL A 132 ? 0.6981 0.7729 0.9356 0.0190 -0.0204 0.0215 369 VAL A CG2 1044 N N . LYS A 133 ? 0.4543 0.5314 0.7126 0.0169 -0.0223 -0.0213 370 LYS A N 1045 C CA . LYS A 133 ? 0.5435 0.6030 0.8144 0.0127 -0.0208 -0.0316 370 LYS A CA 1046 C C . LYS A 133 ? 0.8586 0.9226 1.1366 0.0121 -0.0215 -0.0404 370 LYS A C 1047 O O . LYS A 133 ? 0.6982 0.7872 0.9735 0.0157 -0.0246 -0.0427 370 LYS A O 1048 C CB . LYS A 133 ? 0.3222 0.3886 0.6040 0.0137 -0.0194 -0.0431 370 LYS A CB 1049 C CG . LYS A 133 ? 0.4571 0.5583 0.7391 0.0188 -0.0212 -0.0529 370 LYS A CG 1050 C CD . LYS A 133 ? 0.6425 0.7476 0.9402 0.0183 -0.0190 -0.0701 370 LYS A CD 1051 C CE . LYS A 133 ? 0.7045 0.7895 1.0204 0.0132 -0.0170 -0.0833 370 LYS A CE 1052 N NZ . LYS A 133 ? 0.7741 0.8771 1.1083 0.0135 -0.0170 -0.1084 370 LYS A NZ 1053 N N . GLY A 134 ? 0.6671 0.7090 0.9568 0.0078 -0.0183 -0.0446 371 GLY A N 1054 C CA . GLY A 134 ? 0.6059 0.6508 0.9082 0.0069 -0.0176 -0.0562 371 GLY A CA 1055 C C . GLY A 134 ? 0.4675 0.5029 0.7676 0.0055 -0.0167 -0.0492 371 GLY A C 1056 O O . GLY A 134 ? 0.7441 0.7831 1.0560 0.0050 -0.0159 -0.0582 371 GLY A O 1057 N N . PHE A 135 ? 0.5851 0.6087 0.8726 0.0045 -0.0164 -0.0346 372 PHE A N 1058 C CA . PHE A 135 ? 0.5074 0.5243 0.7930 0.0033 -0.0152 -0.0287 372 PHE A CA 1059 C C . PHE A 135 ? 0.4121 0.4125 0.6995 0.0006 -0.0087 -0.0248 372 PHE A C 1060 O O . PHE A 135 ? 0.4967 0.4943 0.7790 0.0000 -0.0054 -0.0215 372 PHE A O 1061 C CB . PHE A 135 ? 0.8565 0.8764 1.1276 0.0042 -0.0176 -0.0164 372 PHE A CB 1062 C CG . PHE A 135 ? 0.2131 0.2194 0.4761 0.0018 -0.0169 -0.0075 372 PHE A CG 1063 C CD1 . PHE A 135 ? 0.4961 0.4934 0.7504 -0.0003 -0.0135 -0.0017 372 PHE A CD1 1064 C CD2 . PHE A 135 ? 0.7518 0.7667 1.0083 0.0037 -0.0191 -0.0046 372 PHE A CD2 1065 C CE1 . PHE A 135 ? 0.7032 0.6992 0.9454 -0.0011 -0.0138 0.0050 372 PHE A CE1 1066 C CE2 . PHE A 135 ? 0.8313 0.8351 1.0835 0.0011 -0.0190 0.0029 372 PHE A CE2 1067 C CZ . PHE A 135 ? 0.7189 0.7159 0.9620 -0.0010 -0.0169 0.0071 372 PHE A CZ 1068 N N . TYR A 136 ? 0.5099 0.5096 0.7984 0.0003 -0.0064 -0.0236 373 TYR A N 1069 C CA . TYR A 136 ? 0.5991 0.5952 0.8832 -0.0004 0.0009 -0.0194 373 TYR A CA 1070 C C . TYR A 136 ? 0.6905 0.6872 0.9774 -0.0004 0.0016 -0.0190 373 TYR A C 1071 O O . TYR A 136 ? 0.3547 0.3551 0.6568 0.0001 -0.0021 -0.0262 373 TYR A O 1072 C CB . TYR A 136 ? 0.3689 0.3648 0.6688 -0.0006 0.0067 -0.0270 373 TYR A CB 1073 C CG . TYR A 136 ? 0.3635 0.3549 0.6647 -0.0004 0.0156 -0.0198 373 TYR A CG 1074 C CD1 . TYR A 136 ? 0.3402 0.3285 0.6433 0.0005 0.0195 -0.0130 373 TYR A CD1 1075 C CD2 . TYR A 136 ? 0.5591 0.5498 0.8653 -0.0003 0.0207 -0.0197 373 TYR A CD2 1076 C CE1 . TYR A 136 ? 0.2869 0.2755 0.6009 0.0039 0.0292 -0.0057 373 TYR A CE1 1077 C CE2 . TYR A 136 ? 0.5799 0.5681 0.8941 0.0013 0.0309 -0.0138 373 TYR A CE2 1078 C CZ . TYR A 136 ? 0.2547 0.2441 0.5749 0.0040 0.0356 -0.0065 373 TYR A CZ 1079 O OH . TYR A 136 ? 0.5876 0.5811 0.9252 0.0052 0.0489 0.0008 373 TYR A OH 1080 N N . PRO A 137 ? 0.5163 0.5104 0.7922 -0.0006 0.0059 -0.0119 374 PRO A N 1081 C CA . PRO A 137 ? 0.5060 0.4978 0.7705 -0.0006 0.0086 -0.0045 374 PRO A CA 1082 C C . PRO A 137 ? 0.8253 0.8181 1.0751 -0.0010 0.0020 0.0003 374 PRO A C 1083 O O . PRO A 137 ? 0.5270 0.5213 0.7789 -0.0008 -0.0031 -0.0014 374 PRO A O 1084 C CB . PRO A 137 ? 0.5341 0.5245 0.8033 -0.0002 0.0150 -0.0026 374 PRO A CB 1085 C CG . PRO A 137 ? 0.3194 0.3115 0.5877 -0.0006 0.0120 -0.0057 374 PRO A CG 1086 C CD . PRO A 137 ? 0.3532 0.3476 0.6331 -0.0007 0.0077 -0.0119 374 PRO A CD 1087 N N . SER A 138 ? 0.7048 0.6971 0.9498 -0.0015 0.0024 0.0062 375 SER A N 1088 C CA . SER A 138 ? 0.4235 0.4172 0.6576 -0.0021 -0.0035 0.0095 375 SER A CA 1089 C C . SER A 138 ? 0.6140 0.6083 0.8417 -0.0022 -0.0061 0.0112 375 SER A C 1090 O O . SER A 138 ? 0.4310 0.4258 0.6544 -0.0026 -0.0102 0.0137 375 SER A O 1091 C CB . SER A 138 ? 0.2839 0.2790 0.5249 -0.0032 -0.0033 0.0148 375 SER A CB 1092 O OG . SER A 138 ? 0.5548 0.5531 0.8083 -0.0036 0.0003 0.0192 375 SER A OG 1093 N N . ASP A 139 ? 0.5135 0.5073 0.7445 -0.0018 -0.0029 0.0093 376 ASP A N 1094 C CA . ASP A 139 ? 0.4450 0.4390 0.6747 -0.0019 -0.0045 0.0097 376 ASP A CA 1095 C C . ASP A 139 ? 0.5144 0.5088 0.7466 -0.0019 -0.0077 0.0109 376 ASP A C 1096 O O . ASP A 139 ? 0.5569 0.5520 0.7976 -0.0015 -0.0073 0.0091 376 ASP A O 1097 C CB . ASP A 139 ? 0.5996 0.5929 0.8387 -0.0016 0.0008 0.0066 376 ASP A CB 1098 C CG . ASP A 139 ? 0.8608 0.8536 1.1127 -0.0013 0.0064 0.0061 376 ASP A CG 1099 O OD1 . ASP A 139 ? 0.6504 0.6425 0.9069 -0.0010 0.0100 0.0075 376 ASP A OD1 1100 O OD2 . ASP A 139 ? 1.2074 1.2004 1.4693 -0.0013 0.0085 0.0041 376 ASP A OD2 1101 N N . ILE A 140 ? 0.3818 0.3767 0.6111 -0.0023 -0.0109 0.0143 377 ILE A N 1102 C CA . ILE A 140 ? 0.3636 0.3601 0.5998 -0.0023 -0.0130 0.0181 377 ILE A CA 1103 C C . ILE A 140 ? 0.5589 0.5556 0.7942 -0.0028 -0.0140 0.0221 377 ILE A C 1104 O O . ILE A 140 ? 0.2786 0.2738 0.5086 -0.0032 -0.0144 0.0200 377 ILE A O 1105 C CB . ILE A 140 ? 0.5449 0.5424 0.7828 -0.0019 -0.0152 0.0175 377 ILE A CB 1106 C CG1 . ILE A 140 ? 0.5580 0.5604 0.8089 -0.0010 -0.0174 0.0213 377 ILE A CG1 1107 C CG2 . ILE A 140 ? 0.5584 0.5552 0.7883 -0.0024 -0.0166 0.0186 377 ILE A CG2 1108 C CD1 . ILE A 140 ? 0.3973 0.4096 0.6445 0.0021 -0.0191 0.0168 377 ILE A CD1 1109 N N . ALA A 141 ? 0.4928 0.4920 0.7375 -0.0028 -0.0143 0.0285 378 ALA A N 1110 C CA . ALA A 141 ? 0.3234 0.3231 0.5714 -0.0033 -0.0139 0.0330 378 ALA A CA 1111 C C . ALA A 141 ? 0.7645 0.7690 1.0223 -0.0030 -0.0138 0.0427 378 ALA A C 1112 O O . ALA A 141 ? 0.7496 0.7603 1.0166 -0.0015 -0.0135 0.0487 378 ALA A O 1113 C CB . ALA A 141 ? 0.3061 0.3051 0.5626 -0.0034 -0.0112 0.0335 378 ALA A CB 1114 N N . VAL A 142 ? 0.6569 0.6616 0.9133 -0.0034 -0.0142 0.0446 379 VAL A N 1115 C CA . VAL A 142 ? 0.6348 0.6455 0.9017 -0.0027 -0.0128 0.0551 379 VAL A CA 1116 C C . VAL A 142 ? 0.6819 0.6939 0.9563 -0.0028 -0.0098 0.0613 379 VAL A C 1117 O O . VAL A 142 ? 0.7861 0.7928 1.0561 -0.0037 -0.0112 0.0539 379 VAL A O 1118 C CB . VAL A 142 ? 0.4158 0.4280 0.6746 -0.0016 -0.0150 0.0501 379 VAL A CB 1119 C CG1 . VAL A 142 ? 0.2572 0.2897 0.5123 0.0052 -0.0136 0.0538 379 VAL A CG1 1120 C CG2 . VAL A 142 ? 0.3834 0.3900 0.6344 -0.0023 -0.0176 0.0405 379 VAL A CG2 1121 N N . GLU A 143 ? 0.4879 0.5090 0.7746 -0.0009 -0.0056 0.0755 380 GLU A N 1122 C CA . GLU A 143 ? 0.4658 0.4878 0.7644 -0.0008 -0.0010 0.0834 380 GLU A CA 1123 C C . GLU A 143 ? 0.7058 0.7435 1.0101 0.0040 0.0041 0.0986 380 GLU A C 1124 O O . GLU A 143 ? 0.6294 0.6860 0.9203 0.0117 0.0029 0.0993 380 GLU A O 1125 C CB . GLU A 143 ? 0.6632 0.6837 0.9706 -0.0010 0.0015 0.0845 380 GLU A CB 1126 C CG . GLU A 143 ? 0.9187 0.9290 1.2181 -0.0031 -0.0023 0.0680 380 GLU A CG 1127 C CD . GLU A 143 ? 1.1535 1.1622 1.4640 -0.0032 0.0004 0.0677 380 GLU A CD 1128 O OE1 . GLU A 143 ? 1.1180 1.1331 1.4435 -0.0018 0.0051 0.0810 380 GLU A OE1 1129 O OE2 . GLU A 143 ? 0.7068 0.7092 1.0130 -0.0043 -0.0019 0.0552 380 GLU A OE2 1130 N N . TRP A 144 ? 0.4965 0.5315 0.8150 0.0029 0.0091 0.1065 381 TRP A N 1131 C CA . TRP A 144 ? 0.5680 0.6202 0.8888 0.0095 0.0153 0.1202 381 TRP A CA 1132 C C . TRP A 144 ? 0.4233 0.4775 0.7655 0.0098 0.0245 0.1388 381 TRP A C 1133 O O . TRP A 144 ? 0.3838 0.4276 0.7334 0.0072 0.0238 0.1304 381 TRP A O 1134 C CB . TRP A 144 ? 0.7403 0.7892 1.0636 0.0088 0.0156 0.1164 381 TRP A CB 1135 C CG . TRP A 144 ? 0.3661 0.4219 0.6705 0.0115 0.0095 0.1026 381 TRP A CG 1136 C CD1 . TRP A 144 ? 0.2620 0.3041 0.5600 0.0067 0.0027 0.0884 381 TRP A CD1 1137 C CD2 . TRP A 144 ? 0.2521 0.3321 0.5440 0.0204 0.0103 0.1015 381 TRP A CD2 1138 N NE1 . TRP A 144 ? 0.4806 0.5342 0.7651 0.0111 0.0000 0.0797 381 TRP A NE1 1139 C CE2 . TRP A 144 ? 0.1705 0.2487 0.4516 0.0196 0.0043 0.0857 381 TRP A CE2 1140 C CE3 . TRP A 144 ? 0.4352 0.5402 0.7257 0.0296 0.0159 0.1122 381 TRP A CE3 1141 C CZ2 . TRP A 144 ? 0.3978 0.4975 0.6695 0.0268 0.0034 0.0775 381 TRP A CZ2 1142 C CZ3 . TRP A 144 ? 0.3148 0.4438 0.5935 0.0375 0.0140 0.1027 381 TRP A CZ3 1143 C CH2 . TRP A 144 ? 0.4721 0.5984 0.7431 0.0357 0.0078 0.0842 381 TRP A CH2 1144 N N . GLU A 145 ? 0.3332 0.4089 0.6730 0.0187 0.0306 0.1544 382 GLU A N 1145 C CA . GLU A 145 ? 0.3406 0.4195 0.7037 0.0198 0.0417 0.1758 382 GLU A CA 1146 C C . GLU A 145 ? 0.8394 0.9437 1.2040 0.0304 0.0511 0.1989 382 GLU A C 1147 O O . GLU A 145 ? 0.3894 0.5123 0.7303 0.0384 0.0457 0.1916 382 GLU A O 1148 C CB . GLU A 145 ? 0.4376 0.5193 0.8059 0.0198 0.0416 0.1798 382 GLU A CB 1149 C CG . GLU A 145 ? 0.6389 0.7452 0.9874 0.0308 0.0379 0.1848 382 GLU A CG 1150 C CD . GLU A 145 ? 1.1961 1.3035 1.5544 0.0313 0.0377 0.1898 382 GLU A CD 1151 O OE1 . GLU A 145 ? 1.2312 1.3200 1.5956 0.0228 0.0333 0.1763 382 GLU A OE1 1152 O OE2 . GLU A 145 ? 0.8487 0.9773 1.2140 0.0406 0.0433 0.2113 382 GLU A OE2 1153 N N . SER A 146 ? 0.5758 0.6849 0.9643 0.0335 0.0630 0.2194 383 SER A N 1154 C CA . SER A 146 ? 0.6614 0.7986 1.0541 0.0454 0.0758 0.2494 383 SER A CA 1155 C C . SER A 146 ? 0.8418 0.9863 1.2594 0.0500 0.0869 0.2679 383 SER A C 1156 O O . SER A 146 ? 0.6319 0.7561 1.0699 0.0434 0.0867 0.2570 383 SER A O 1157 C CB . SER A 146 ? 0.9932 1.1309 1.3862 0.0487 0.0806 0.2521 383 SER A CB 1158 O OG . SER A 146 ? 1.1883 1.3601 1.5649 0.0618 0.0864 0.2709 383 SER A OG 1159 N N . ASN A 147 ? 1.1812 1.3592 1.5974 0.0628 0.0971 0.2969 384 ASN A N 1160 C CA . ASN A 147 ? 1.0958 1.2887 1.5379 0.0699 0.1092 0.3197 384 ASN A CA 1161 C C . ASN A 147 ? 1.0077 1.1839 1.4661 0.0618 0.1035 0.3084 384 ASN A C 1162 O O . ASN A 147 ? 1.1001 1.2702 1.5905 0.0615 0.1112 0.3135 384 ASN A O 1163 C CB . ASN A 147 ? 1.6050 1.7929 2.0744 0.0725 0.1221 0.3286 384 ASN A CB 1164 C CG . ASN A 147 ? 2.0102 2.2284 2.5067 0.0869 0.1388 0.3612 384 ASN A CG 1165 O OD1 . ASN A 147 ? 1.9972 2.2084 2.5270 0.0856 0.1435 0.3641 384 ASN A OD1 1166 N ND2 . ASN A 147 ? 2.2141 2.4691 2.6973 0.1034 0.1481 0.3870 384 ASN A ND2 1167 N N . GLY A 148 ? 0.8570 1.0260 1.2959 0.0557 0.0907 0.2925 385 GLY A N 1168 C CA . GLY A 148 ? 0.9015 1.0547 1.3534 0.0489 0.0853 0.2810 385 GLY A CA 1169 C C . GLY A 148 ? 0.8908 1.0111 1.3516 0.0376 0.0794 0.2523 385 GLY A C 1170 O O . GLY A 148 ? 0.8288 0.9343 1.2916 0.0314 0.0724 0.2358 385 GLY A O 1171 N N . GLN A 149 ? 0.7878 0.8994 1.2538 0.0359 0.0826 0.2471 386 GLN A N 1172 C CA . GLN A 149 ? 0.8043 0.8904 1.2775 0.0267 0.0770 0.2215 386 GLN A CA 1173 C C . GLN A 149 ? 0.5847 0.6566 1.0264 0.0209 0.0638 0.1974 386 GLN A C 1174 O O . GLN A 149 ? 0.6153 0.6967 1.0372 0.0241 0.0620 0.2026 386 GLN A O 1175 C CB . GLN A 149 ? 0.9970 1.0822 1.4996 0.0282 0.0882 0.2299 386 GLN A CB 1176 C CG . GLN A 149 ? 1.8496 1.9503 2.3933 0.0345 0.1030 0.2520 386 GLN A CG 1177 C CD . GLN A 149 ? 1.7142 1.8122 2.2689 0.0327 0.1001 0.2481 386 GLN A CD 1178 O OE1 . GLN A 149 ? 1.5241 1.6063 2.0699 0.0253 0.0907 0.2258 386 GLN A OE1 1179 N NE2 . GLN A 149 ? 1.6595 1.7733 2.2307 0.0401 0.1081 0.2707 386 GLN A NE2 1180 N N . PRO A 150 ? 0.5958 0.6485 1.0344 0.0137 0.0552 0.1724 387 PRO A N 1181 C CA . PRO A 150 ? 0.8285 0.8711 1.2385 0.0098 0.0434 0.1514 387 PRO A CA 1182 C C . PRO A 150 ? 0.8157 0.8532 1.2252 0.0096 0.0427 0.1468 387 PRO A C 1183 O O . PRO A 150 ? 0.8492 0.8853 1.2819 0.0115 0.0501 0.1552 387 PRO A O 1184 C CB . PRO A 150 ? 0.4850 0.5139 0.8935 0.0047 0.0364 0.1304 387 PRO A CB 1185 C CG . PRO A 150 ? 0.7160 0.7447 1.1577 0.0046 0.0446 0.1373 387 PRO A CG 1186 C CD . PRO A 150 ? 0.2890 0.3315 0.7518 0.0099 0.0569 0.1634 387 PRO A CD 1187 N N . GLU A 151 ? 0.9049 0.9398 1.2911 0.0079 0.0344 0.1346 388 GLU A N 1188 C CA . GLU A 151 ? 0.7579 0.7881 1.1456 0.0073 0.0325 0.1283 388 GLU A CA 1189 C C . GLU A 151 ? 0.7088 0.7262 1.0917 0.0029 0.0226 0.1065 388 GLU A C 1190 O O . GLU A 151 ? 0.7932 0.8068 1.1637 0.0008 0.0169 0.0965 388 GLU A O 1191 C CB . GLU A 151 ? 0.7218 0.7611 1.0960 0.0094 0.0321 0.1340 388 GLU A CB 1192 C CG . GLU A 151 ? 0.6249 0.6812 1.0060 0.0162 0.0432 0.1585 388 GLU A CG 1193 C CD . GLU A 151 ? 0.8719 0.9290 1.2758 0.0197 0.0522 0.1692 388 GLU A CD 1194 O OE1 . GLU A 151 ? 0.9054 0.9767 1.3212 0.0270 0.0642 0.1931 388 GLU A OE1 1195 O OE2 . GLU A 151 ? 0.8530 0.8981 1.2639 0.0161 0.0478 0.1548 388 GLU A OE2 1196 N N . ASN A 152 ? 0.8467 0.8588 1.2410 0.0026 0.0209 0.0999 389 ASN A N 1197 C CA . ASN A 152 ? 1.1592 1.1625 1.5512 0.0001 0.0117 0.0814 389 ASN A CA 1198 C C . ASN A 152 ? 1.1805 1.1830 1.5689 -0.0007 0.0054 0.0740 389 ASN A C 1199 O O . ASN A 152 ? 1.5844 1.5826 1.9669 -0.0019 -0.0032 0.0604 389 ASN A O 1200 C CB . ASN A 152 ? 1.3404 1.3376 1.7580 0.0009 0.0136 0.0766 389 ASN A CB 1201 C CG . ASN A 152 ? 1.3686 1.3681 1.8138 0.0038 0.0249 0.0925 389 ASN A CG 1202 O OD1 . ASN A 152 ? 1.1429 1.1490 1.5884 0.0056 0.0306 0.1056 389 ASN A OD1 1203 N ND2 . ASN A 152 ? 1.5193 1.5139 1.9917 0.0056 0.0293 0.0923 389 ASN A ND2 1204 N N . ASN A 153 ? 0.5522 0.5601 0.9466 0.0006 0.0103 0.0838 390 ASN A N 1205 C CA . ASN A 153 ? 0.8683 0.8758 1.2603 -0.0003 0.0047 0.0774 390 ASN A CA 1206 C C . ASN A 153 ? 0.7509 0.7623 1.1205 -0.0005 0.0026 0.0783 390 ASN A C 1207 O O . ASN A 153 ? 0.9738 0.9914 1.3466 0.0013 0.0080 0.0876 390 ASN A O 1208 C CB . ASN A 153 ? 0.9191 0.9287 1.3363 0.0013 0.0106 0.0839 390 ASN A CB 1209 C CG . ASN A 153 ? 0.6487 0.6562 1.0709 -0.0001 0.0031 0.0739 390 ASN A CG 1210 O OD1 . ASN A 153 ? 1.5166 1.5268 1.9279 -0.0002 0.0018 0.0747 390 ASN A OD1 1211 N ND2 . ASN A 153 ? 0.6107 0.6135 1.0513 -0.0009 -0.0028 0.0637 390 ASN A ND2 1212 N N . TYR A 154 ? 0.4260 0.4338 0.7760 -0.0021 -0.0044 0.0687 391 TYR A N 1213 C CA . TYR A 154 ? 0.2520 0.2617 0.5835 -0.0024 -0.0070 0.0671 391 TYR A CA 1214 C C . TYR A 154 ? 0.3785 0.3824 0.6969 -0.0038 -0.0159 0.0541 391 TYR A C 1215 O O . TYR A 154 ? 0.2210 0.2210 0.5403 -0.0043 -0.0191 0.0479 391 TYR A O 1216 C CB . TYR A 154 ? 0.3818 0.3969 0.7051 -0.0013 -0.0023 0.0756 391 TYR A CB 1217 C CG . TYR A 154 ? 0.5777 0.5889 0.8914 -0.0024 -0.0047 0.0702 391 TYR A CG 1218 C CD1 . TYR A 154 ? 0.5273 0.5397 0.8508 -0.0018 0.0002 0.0766 391 TYR A CD1 1219 C CD2 . TYR A 154 ? 0.8726 0.8794 1.1699 -0.0036 -0.0108 0.0594 391 TYR A CD2 1220 C CE1 . TYR A 154 ? 0.7890 0.7979 1.1075 -0.0027 -0.0014 0.0713 391 TYR A CE1 1221 C CE2 . TYR A 154 ? 0.6021 0.6060 0.8934 -0.0042 -0.0118 0.0548 391 TYR A CE2 1222 C CZ . TYR A 154 ? 0.7798 0.7846 1.0821 -0.0039 -0.0074 0.0601 391 TYR A CZ 1223 O OH . TYR A 154 ? 0.6420 0.6439 0.9411 -0.0043 -0.0080 0.0549 391 TYR A OH 1224 N N . LYS A 155 ? 0.2844 0.2882 0.5937 -0.0040 -0.0194 0.0506 392 LYS A N 1225 C CA . LYS A 155 ? 0.5753 0.5751 0.8735 -0.0047 -0.0267 0.0417 392 LYS A CA 1226 C C . LYS A 155 ? 0.6935 0.6942 0.9768 -0.0046 -0.0261 0.0411 392 LYS A C 1227 O O . LYS A 155 ? 0.4667 0.4709 0.7529 -0.0039 -0.0222 0.0454 392 LYS A O 1228 C CB . LYS A 155 ? 0.4675 0.4656 0.7776 -0.0048 -0.0330 0.0380 392 LYS A CB 1229 C CG . LYS A 155 ? 0.5724 0.5685 0.9009 -0.0046 -0.0365 0.0349 392 LYS A CG 1230 C CD . LYS A 155 ? 0.9319 0.9246 1.2599 -0.0042 -0.0462 0.0265 392 LYS A CD 1231 C CE . LYS A 155 ? 0.9973 0.9886 1.3495 -0.0032 -0.0509 0.0205 392 LYS A CE 1232 N NZ . LYS A 155 ? 0.5825 0.5716 0.9395 -0.0018 -0.0620 0.0103 392 LYS A NZ 1233 N N . THR A 156 ? 0.5980 0.5962 0.8690 -0.0050 -0.0296 0.0359 393 THR A N 1234 C CA . THR A 156 ? 0.5208 0.5195 0.7801 -0.0047 -0.0281 0.0348 393 THR A CA 1235 C C . THR A 156 ? 0.3548 0.3516 0.6092 -0.0050 -0.0328 0.0309 393 THR A C 1236 O O . THR A 156 ? 0.4303 0.4253 0.6853 -0.0052 -0.0376 0.0288 393 THR A O 1237 C CB . THR A 156 ? 0.3702 0.3694 0.6221 -0.0046 -0.0248 0.0355 393 THR A CB 1238 O OG1 . THR A 156 ? 0.5774 0.5803 0.8381 -0.0042 -0.0203 0.0427 393 THR A OG1 1239 C CG2 . THR A 156 ? 1.0007 0.9997 1.2437 -0.0043 -0.0244 0.0325 393 THR A CG2 1240 N N . THR A 157 ? 0.2292 0.2268 0.4828 -0.0046 -0.0316 0.0304 394 THR A N 1241 C CA . THR A 157 ? 0.3331 0.3297 0.5869 -0.0049 -0.0351 0.0294 394 THR A CA 1242 C C . THR A 157 ? 0.2163 0.2126 0.4601 -0.0050 -0.0338 0.0279 394 THR A C 1243 O O . THR A 157 ? 0.6020 0.5983 0.8388 -0.0047 -0.0300 0.0265 394 THR A O 1244 C CB . THR A 157 ? 0.3115 0.3091 0.5718 -0.0043 -0.0328 0.0286 394 THR A CB 1245 O OG1 . THR A 157 ? 0.5520 0.5500 0.8066 -0.0035 -0.0284 0.0257 394 THR A OG1 1246 C CG2 . THR A 157 ? 0.6276 0.6264 0.8999 -0.0037 -0.0320 0.0296 394 THR A CG2 1247 N N . PRO A 158 ? 0.4839 0.4803 0.7307 -0.0053 -0.0374 0.0295 395 PRO A N 1248 C CA . PRO A 158 ? 0.6047 0.6017 0.8459 -0.0052 -0.0347 0.0291 395 PRO A CA 1249 C C . PRO A 158 ? 0.6060 0.6033 0.8443 -0.0047 -0.0286 0.0265 395 PRO A C 1250 O O . PRO A 158 ? 0.8759 0.8730 1.1191 -0.0043 -0.0277 0.0252 395 PRO A O 1251 C CB . PRO A 158 ? 0.5615 0.5599 0.8145 -0.0055 -0.0399 0.0348 395 PRO A CB 1252 C CG . PRO A 158 ? 0.3403 0.3404 0.5948 -0.0031 -0.0475 0.0359 395 PRO A CG 1253 C CD . PRO A 158 ? 0.6632 0.6596 0.9227 -0.0058 -0.0451 0.0333 395 PRO A CD 1254 N N . PRO A 159 ? 0.7612 0.7585 0.9947 -0.0045 -0.0248 0.0247 396 PRO A N 1255 C CA . PRO A 159 ? 0.3935 0.3905 0.6289 -0.0040 -0.0202 0.0213 396 PRO A CA 1256 C C . PRO A 159 ? 0.6385 0.6371 0.8859 -0.0041 -0.0192 0.0240 396 PRO A C 1257 O O . PRO A 159 ? 0.3405 0.3416 0.5967 -0.0042 -0.0202 0.0305 396 PRO A O 1258 C CB . PRO A 159 ? 0.4293 0.4261 0.6599 -0.0038 -0.0170 0.0200 396 PRO A CB 1259 C CG . PRO A 159 ? 0.4310 0.4275 0.6555 -0.0039 -0.0195 0.0207 396 PRO A CG 1260 C CD . PRO A 159 ? 0.7888 0.7861 1.0174 -0.0045 -0.0246 0.0243 396 PRO A CD 1261 N N . VAL A 160 ? 0.1787 0.1765 0.4334 -0.0037 -0.0173 0.0200 397 VAL A N 1262 C CA . VAL A 160 ? 0.4956 0.4951 0.7669 -0.0038 -0.0150 0.0226 397 VAL A CA 1263 C C . VAL A 160 ? 0.7352 0.7340 1.0162 -0.0038 -0.0087 0.0173 397 VAL A C 1264 O O . VAL A 160 ? 0.3129 0.3090 0.5897 -0.0033 -0.0079 0.0078 397 VAL A O 1265 C CB . VAL A 160 ? 0.4064 0.4054 0.6891 -0.0034 -0.0168 0.0212 397 VAL A CB 1266 C CG1 . VAL A 160 ? 0.6290 0.6305 0.9332 -0.0032 -0.0153 0.0282 397 VAL A CG1 1267 C CG2 . VAL A 160 ? 0.3982 0.3968 0.6751 -0.0035 -0.0222 0.0235 397 VAL A CG2 1268 N N . LEU A 161 ? 0.4834 0.4858 0.7839 -0.0037 -0.0040 0.0241 398 LEU A N 1269 C CA . LEU A 161 ? 0.4681 0.4711 0.7843 -0.0040 0.0037 0.0191 398 LEU A CA 1270 C C . LEU A 161 ? 0.4042 0.4053 0.7331 -0.0046 0.0048 0.0110 398 LEU A C 1271 O O . LEU A 161 ? 0.6594 0.6623 1.0078 -0.0037 0.0063 0.0163 398 LEU A O 1272 C CB . LEU A 161 ? 0.4934 0.4999 0.8346 -0.0014 0.0119 0.0306 398 LEU A CB 1273 C CG . LEU A 161 ? 0.3297 0.3367 0.6907 -0.0005 0.0228 0.0262 398 LEU A CG 1274 C CD1 . LEU A 161 ? 0.5324 0.5402 0.8774 -0.0031 0.0207 0.0122 398 LEU A CD1 1275 C CD2 . LEU A 161 ? 0.4152 0.4209 0.7894 0.0027 0.0318 0.0401 398 LEU A CD2 1276 N N . ASP A 162 ? 0.5621 0.5583 0.8834 -0.0050 0.0038 -0.0021 399 ASP A N 1277 C CA . ASP A 162 ? 0.5644 0.5596 0.9022 -0.0050 0.0053 -0.0138 399 ASP A CA 1278 C C . ASP A 162 ? 0.7028 0.7007 1.0694 -0.0073 0.0141 -0.0163 399 ASP A C 1279 O O . ASP A 162 ? 0.7509 0.7544 1.1257 -0.0071 0.0198 -0.0081 399 ASP A O 1280 C CB . ASP A 162 ? 0.2909 0.2863 0.6200 -0.0028 0.0012 -0.0282 399 ASP A CB 1281 C CG . ASP A 162 ? 0.4010 0.3996 0.7427 -0.0021 -0.0001 -0.0392 399 ASP A CG 1282 O OD1 . ASP A 162 ? 0.8304 0.8283 1.1924 -0.0037 0.0041 -0.0400 399 ASP A OD1 1283 O OD2 . ASP A 162 ? 0.4482 0.4516 0.7845 -0.0003 -0.0046 -0.0476 399 ASP A OD2 1284 N N . SER A 163 ? 0.7518 0.7499 1.1398 -0.0082 0.0167 -0.0280 400 SER A N 1285 C CA . SER A 163 ? 0.7217 0.7275 1.1465 -0.0096 0.0270 -0.0300 400 SER A CA 1286 C C . SER A 163 ? 0.8360 0.8446 1.2665 -0.0115 0.0310 -0.0394 400 SER A C 1287 O O . SER A 163 ? 0.7324 0.7492 1.1918 -0.0061 0.0422 -0.0358 400 SER A O 1288 C CB . SER A 163 ? 0.7161 0.7227 1.1657 -0.0107 0.0290 -0.0419 400 SER A CB 1289 O OG . SER A 163 ? 0.8509 0.8521 1.2825 -0.0100 0.0210 -0.0570 400 SER A OG 1290 N N . ASP A 164 ? 0.7819 0.7723 1.1851 -0.0079 0.0237 -0.0532 401 ASP A N 1291 C CA . ASP A 164 ? 0.5668 0.5567 0.9773 -0.0036 0.0271 -0.0647 401 ASP A CA 1292 C C . ASP A 164 ? 0.4104 0.3986 0.8056 -0.0011 0.0282 -0.0532 401 ASP A C 1293 O O . ASP A 164 ? 0.5924 0.5850 0.9926 -0.0009 0.0287 -0.0625 401 ASP A O 1294 C CB . ASP A 164 ? 0.4709 0.4728 0.8852 -0.0037 0.0209 -0.0873 401 ASP A CB 1295 C CG . ASP A 164 ? 0.8520 0.8596 1.2405 -0.0025 0.0111 -0.0852 401 ASP A CG 1296 O OD1 . ASP A 164 ? 0.4898 0.4919 0.8568 -0.0021 0.0096 -0.0678 401 ASP A OD1 1297 O OD2 . ASP A 164 ? 0.9054 0.9249 1.2981 -0.0015 0.0055 -0.1031 401 ASP A OD2 1298 N N . GLY A 165 ? 0.5104 0.4935 0.8898 -0.0006 0.0282 -0.0348 402 GLY A N 1299 C CA . GLY A 165 ? 0.5676 0.5551 0.9364 0.0044 0.0299 -0.0260 402 GLY A CA 1300 C C . GLY A 165 ? 0.7209 0.7070 1.0601 -0.0010 0.0198 -0.0253 402 GLY A C 1301 O O . GLY A 165 ? 0.8144 0.7997 1.1419 0.0000 0.0205 -0.0172 402 GLY A O 1302 N N . SER A 166 ? 0.3135 0.3046 0.6473 -0.0018 0.0124 -0.0344 403 SER A N 1303 C CA . SER A 166 ? 0.5398 0.5347 0.8534 -0.0012 0.0047 -0.0329 403 SER A CA 1304 C C . SER A 166 ? 0.8019 0.7954 1.0982 -0.0015 0.0011 -0.0207 403 SER A C 1305 O O . SER A 166 ? 0.5258 0.5177 0.8279 -0.0027 0.0033 -0.0147 403 SER A O 1306 C CB . SER A 166 ? 0.3163 0.3187 0.6390 -0.0002 -0.0005 -0.0490 403 SER A CB 1307 O OG . SER A 166 ? 0.8569 0.8610 1.1770 0.0003 -0.0044 -0.0494 403 SER A OG 1308 N N . PHE A 167 ? 0.5130 0.5082 0.7947 -0.0008 -0.0041 -0.0172 404 PHE A N 1309 C CA . PHE A 167 ? 0.3482 0.3429 0.6180 -0.0012 -0.0074 -0.0081 404 PHE A CA 1310 C C . PHE A 167 ? 0.6666 0.6639 0.9393 -0.0001 -0.0123 -0.0121 404 PHE A C 1311 O O . PHE A 167 ? 0.4929 0.4933 0.7731 0.0010 -0.0148 -0.0195 404 PHE A O 1312 C CB . PHE A 167 ? 0.3203 0.3145 0.5751 -0.0018 -0.0080 0.0008 404 PHE A CB 1313 C CG . PHE A 167 ? 0.6129 0.6064 0.8702 -0.0029 -0.0032 0.0060 404 PHE A CG 1314 C CD1 . PHE A 167 ? 0.4173 0.4139 0.6770 -0.0040 -0.0038 0.0148 404 PHE A CD1 1315 C CD2 . PHE A 167 ? 0.2939 0.2855 0.5610 -0.0026 0.0022 0.0023 404 PHE A CD2 1316 C CE1 . PHE A 167 ? 0.5868 0.5887 0.8629 -0.0042 0.0014 0.0214 404 PHE A CE1 1317 C CE2 . PHE A 167 ? 0.6840 0.6763 0.9621 -0.0040 0.0087 0.0083 404 PHE A CE2 1318 C CZ . PHE A 167 ? 0.5584 0.5616 0.8453 -0.0043 0.0091 0.0184 404 PHE A CZ 1319 N N . PHE A 168 ? 0.4525 0.4494 0.7233 -0.0004 -0.0138 -0.0074 405 PHE A N 1320 C CA . PHE A 168 ? 0.6749 0.6739 0.9483 0.0005 -0.0174 -0.0076 405 PHE A CA 1321 C C . PHE A 168 ? 0.5665 0.5642 0.8275 -0.0006 -0.0190 0.0036 405 PHE A C 1322 O O . PHE A 168 ? 0.2420 0.2384 0.4956 -0.0018 -0.0186 0.0093 405 PHE A O 1323 C CB . PHE A 168 ? 0.6196 0.6266 0.9028 0.0030 -0.0168 -0.0160 405 PHE A CB 1324 C CG . PHE A 168 ? 0.6714 0.6704 0.9628 0.0004 -0.0158 -0.0114 405 PHE A CG 1325 C CD1 . PHE A 168 ? 0.6682 0.6673 0.9599 0.0004 -0.0176 -0.0056 405 PHE A CD1 1326 C CD2 . PHE A 168 ? 0.9474 0.9448 1.2435 -0.0006 -0.0122 -0.0110 405 PHE A CD2 1327 C CE1 . PHE A 168 ? 0.6645 0.6625 0.9622 -0.0005 -0.0173 -0.0006 405 PHE A CE1 1328 C CE2 . PHE A 168 ? 0.9943 0.9911 1.2979 -0.0015 -0.0113 -0.0045 405 PHE A CE2 1329 C CZ . PHE A 168 ? 0.3781 0.3753 0.6828 -0.0013 -0.0145 0.0003 405 PHE A CZ 1330 N N . LEU A 169 ? 0.4967 0.4999 0.7552 0.0010 -0.0206 0.0059 406 LEU A N 1331 C CA . LEU A 169 ? 0.2752 0.2752 0.5308 -0.0008 -0.0221 0.0140 406 LEU A CA 1332 C C . LEU A 169 ? 0.3213 0.3352 0.5754 0.0037 -0.0212 0.0143 406 LEU A C 1333 O O . LEU A 169 ? 0.7634 0.7930 1.0155 0.0084 -0.0201 0.0094 406 LEU A O 1334 C CB . LEU A 169 ? 0.2237 0.2220 0.4675 -0.0022 -0.0224 0.0189 406 LEU A CB 1335 C CG . LEU A 169 ? 0.4735 0.4727 0.7159 -0.0020 -0.0216 0.0202 406 LEU A CG 1336 C CD1 . LEU A 169 ? 0.2800 0.2916 0.5232 0.0016 -0.0209 0.0232 406 LEU A CD1 1337 C CD2 . LEU A 169 ? 0.5072 0.5051 0.7395 -0.0030 -0.0216 0.0230 406 LEU A CD2 1338 N N . TYR A 170 ? 0.6998 0.7120 0.9563 0.0027 -0.0218 0.0198 407 TYR A N 1339 C CA . TYR A 170 ? 0.6274 0.6539 0.8845 0.0069 -0.0196 0.0225 407 TYR A CA 1340 C C . TYR A 170 ? 0.6234 0.6450 0.8815 0.0042 -0.0195 0.0311 407 TYR A C 1341 O O . TYR A 170 ? 0.8431 0.8514 1.1039 -0.0006 -0.0223 0.0329 407 TYR A O 1342 C CB . TYR A 170 ? 0.4910 0.5209 0.7572 0.0086 -0.0188 0.0199 407 TYR A CB 1343 C CG . TYR A 170 ? 0.4795 0.5196 0.7498 0.0126 -0.0172 0.0099 407 TYR A CG 1344 C CD1 . TYR A 170 ? 0.3295 0.3575 0.6071 0.0097 -0.0184 0.0045 407 TYR A CD1 1345 C CD2 . TYR A 170 ? 0.3641 0.4286 0.6343 0.0191 -0.0139 0.0057 407 TYR A CD2 1346 C CE1 . TYR A 170 ? 0.2907 0.3261 0.5773 0.0124 -0.0162 -0.0062 407 TYR A CE1 1347 C CE2 . TYR A 170 ? 0.4507 0.5273 0.7274 0.0224 -0.0121 -0.0059 407 TYR A CE2 1348 C CZ . TYR A 170 ? 0.5204 0.5799 0.8065 0.0186 -0.0132 -0.0127 407 TYR A CZ 1349 O OH . TYR A 170 ? 0.4387 0.5083 0.7357 0.0209 -0.0107 -0.0262 407 TYR A OH 1350 N N . SER A 171 ? 0.3262 0.3613 0.5843 0.0079 -0.0163 0.0362 408 SER A N 1351 C CA . SER A 171 ? 0.4046 0.4345 0.6697 0.0052 -0.0149 0.0450 408 SER A CA 1352 C C . SER A 171 ? 0.6354 0.6780 0.9085 0.0091 -0.0109 0.0492 408 SER A C 1353 O O . SER A 171 ? 0.6248 0.6882 0.8943 0.0157 -0.0077 0.0487 408 SER A O 1354 C CB . SER A 171 ? 0.5517 0.5848 0.8145 0.0056 -0.0130 0.0510 408 SER A CB 1355 O OG . SER A 171 ? 0.4035 0.4226 0.6757 0.0002 -0.0131 0.0558 408 SER A OG 1356 N N . LYS A 172 ? 0.3905 0.4237 0.6758 0.0057 -0.0112 0.0520 409 LYS A N 1357 C CA . LYS A 172 ? 0.2258 0.2693 0.5228 0.0088 -0.0065 0.0564 409 LYS A CA 1358 C C . LYS A 172 ? 0.5172 0.5577 0.8263 0.0071 -0.0024 0.0672 409 LYS A C 1359 O O . LYS A 172 ? 0.4088 0.4334 0.7250 0.0018 -0.0057 0.0674 409 LYS A O 1360 C CB . LYS A 172 ? 0.6662 0.7022 0.9730 0.0068 -0.0100 0.0509 409 LYS A CB 1361 C CG . LYS A 172 ? 0.2559 0.3000 0.5800 0.0091 -0.0053 0.0543 409 LYS A CG 1362 C CD . LYS A 172 ? 0.3024 0.3425 0.6347 0.0085 -0.0094 0.0472 409 LYS A CD 1363 C CE . LYS A 172 ? 0.7120 0.7418 1.0623 0.0048 -0.0142 0.0478 409 LYS A CE 1364 N NZ . LYS A 172 ? 0.4726 0.5015 0.8404 0.0037 -0.0104 0.0545 409 LYS A NZ 1365 N N . LEU A 173 ? 0.3576 0.4148 0.6704 0.0124 0.0051 0.0761 410 LEU A N 1366 C CA . LEU A 173 ? 0.5784 0.6318 0.9071 0.0113 0.0109 0.0890 410 LEU A CA 1367 C C . LEU A 173 ? 0.9936 1.0548 1.3384 0.0140 0.0172 0.0930 410 LEU A C 1368 O O . LEU A 173 ? 0.7743 0.8550 1.1136 0.0199 0.0208 0.0906 410 LEU A O 1369 C CB . LEU A 173 ? 0.4898 0.5569 0.8121 0.0160 0.0163 0.1003 410 LEU A CB 1370 C CG . LEU A 173 ? 0.5362 0.6009 0.8789 0.0162 0.0252 0.1173 410 LEU A CG 1371 C CD1 . LEU A 173 ? 0.5950 0.6369 0.9499 0.0087 0.0225 0.1180 410 LEU A CD1 1372 C CD2 . LEU A 173 ? 0.2913 0.3791 0.6286 0.0248 0.0331 0.1319 410 LEU A CD2 1373 N N . THR A 174 ? 0.7659 0.8131 1.1331 0.0100 0.0186 0.0972 411 THR A N 1374 C CA . THR A 174 ? 0.7501 0.8023 1.1372 0.0119 0.0244 0.0999 411 THR A CA 1375 C C . THR A 174 ? 0.6894 0.7436 1.0967 0.0144 0.0359 0.1167 411 THR A C 1376 O O . THR A 174 ? 0.7141 0.7508 1.1409 0.0109 0.0357 0.1203 411 THR A O 1377 C CB . THR A 174 ? 0.8575 0.8938 1.2595 0.0068 0.0162 0.0892 411 THR A CB 1378 O OG1 . THR A 174 ? 0.9189 0.9522 1.3027 0.0051 0.0064 0.0769 411 THR A OG1 1379 C CG2 . THR A 174 ? 0.8777 0.9213 1.3011 0.0088 0.0216 0.0898 411 THR A CG2 1380 N N . VAL A 175 ? 0.5097 0.5862 0.9138 0.0216 0.0464 0.1263 412 VAL A N 1381 C CA . VAL A 175 ? 0.4984 0.5781 0.9253 0.0258 0.0603 0.1478 412 VAL A CA 1382 C C . VAL A 175 ? 0.8305 0.9181 1.2803 0.0283 0.0702 0.1505 412 VAL A C 1383 O O . VAL A 175 ? 0.8171 0.9149 1.2604 0.0280 0.0674 0.1361 412 VAL A O 1384 C CB . VAL A 175 ? 0.5666 0.6691 0.9810 0.0344 0.0692 0.1652 412 VAL A CB 1385 C CG1 . VAL A 175 ? 0.7046 0.8004 1.1020 0.0323 0.0616 0.1659 412 VAL A CG1 1386 C CG2 . VAL A 175 ? 0.5374 0.6674 0.9338 0.0399 0.0701 0.1550 412 VAL A CG2 1387 N N . ASP A 176 ? 1.0468 1.1296 1.5264 0.0313 0.0831 0.1697 413 ASP A N 1388 C CA . ASP A 176 ? 0.9405 1.0348 1.4430 0.0351 0.0970 0.1764 413 ASP A CA 1389 C C . ASP A 176 ? 0.9894 1.1161 1.4723 0.0430 0.1071 0.1824 413 ASP A C 1390 O O . ASP A 176 ? 1.2499 1.3907 1.7115 0.0488 0.1087 0.1929 413 ASP A O 1391 C CB . ASP A 176 ? 1.1647 1.2484 1.7033 0.0393 0.1112 0.1989 413 ASP A CB 1392 C CG . ASP A 176 ? 1.0483 1.1039 1.6164 0.0327 0.1033 0.1879 413 ASP A CG 1393 O OD1 . ASP A 176 ? 0.6554 0.7039 1.2168 0.0252 0.0886 0.1643 413 ASP A OD1 1394 O OD2 . ASP A 176 ? 0.9663 1.0111 1.5643 0.0365 0.1118 0.2014 413 ASP A OD2 1395 N N . LYS A 177 ? 0.8378 0.9783 1.3295 0.0436 0.1144 0.1748 414 LYS A N 1396 C CA . LYS A 177 ? 0.7693 0.9428 1.2434 0.0504 0.1238 0.1732 414 LYS A CA 1397 C C . LYS A 177 ? 0.6881 0.8833 1.1593 0.0610 0.1432 0.2016 414 LYS A C 1398 O O . LYS A 177 ? 0.7412 0.9666 1.1885 0.0685 0.1489 0.2031 414 LYS A O 1399 C CB . LYS A 177 ? 0.7420 0.9235 1.2320 0.0483 0.1293 0.1589 414 LYS A CB 1400 C CG . LYS A 177 ? 0.9013 1.1163 1.3747 0.0541 0.1375 0.1489 414 LYS A CG 1401 C CD . LYS A 177 ? 1.0185 1.2567 1.5028 0.0605 0.1632 0.1658 414 LYS A CD 1402 C CE . LYS A 177 ? 1.0817 1.3536 1.5524 0.0651 0.1728 0.1503 414 LYS A CE 1403 N NZ . LYS A 177 ? 1.0527 1.3261 1.5491 0.0616 0.1807 0.1387 414 LYS A NZ 1404 N N . SER A 178 ? 0.6157 0.7968 1.1117 0.0631 0.1535 0.2247 415 SER A N 1405 C CA . SER A 178 ? 0.9348 1.1356 1.4291 0.0754 0.1733 0.2569 415 SER A CA 1406 C C . SER A 178 ? 1.1492 1.3576 1.6197 0.0827 0.1674 0.2728 415 SER A C 1407 O O . SER A 178 ? 1.1320 1.3728 1.5802 0.0946 0.1780 0.2906 415 SER A O 1408 C CB . SER A 178 ? 0.8644 1.0461 1.3984 0.0769 0.1867 0.2767 415 SER A CB 1409 O OG . SER A 178 ? 1.1305 1.2768 1.6877 0.0679 0.1718 0.2648 415 SER A OG 1410 N N . ARG A 179 ? 0.9938 1.1744 1.4679 0.0758 0.1506 0.2658 416 ARG A N 1411 C CA . ARG A 179 ? 1.0410 1.2241 1.4989 0.0813 0.1447 0.2813 416 ARG A CA 1412 C C . ARG A 179 ? 1.1344 1.3501 1.5541 0.0856 0.1390 0.2721 416 ARG A C 1413 O O . ARG A 179 ? 1.0019 1.2392 1.4046 0.0961 0.1412 0.2926 416 ARG A O 1414 C CB . ARG A 179 ? 0.6564 0.8032 1.1227 0.0698 0.1282 0.2678 416 ARG A CB 1415 C CG . ARG A 179 ? 0.8621 0.9827 1.3675 0.0718 0.1355 0.2861 416 ARG A CG 1416 C CD . ARG A 179 ? 0.9683 1.0603 1.4807 0.0567 0.1194 0.2558 416 ARG A CD 1417 N NE . ARG A 179 ? 1.1130 1.2030 1.6055 0.0522 0.1087 0.2485 416 ARG A NE 1418 C CZ . ARG A 179 ? 1.3600 1.4331 1.8422 0.0406 0.0929 0.2215 416 ARG A CZ 1419 N NH1 . ARG A 179 ? 1.0693 1.1284 1.5569 0.0333 0.0846 0.2000 416 ARG A NH1 1420 N NH2 . ARG A 179 ? 1.2242 1.2966 1.6910 0.0375 0.0862 0.2173 416 ARG A NH2 1421 N N . TRP A 180 ? 0.9112 1.1321 1.3204 0.0789 0.1314 0.2408 417 TRP A N 1422 C CA . TRP A 180 ? 0.7156 0.9688 1.0953 0.0840 0.1271 0.2268 417 TRP A CA 1423 C C . TRP A 180 ? 0.8541 1.1481 1.2238 0.0966 0.1474 0.2418 417 TRP A C 1424 O O . TRP A 180 ? 1.0242 1.3526 1.3687 0.1087 0.1510 0.2557 417 TRP A O 1425 C CB . TRP A 180 ? 0.6390 0.8814 1.0158 0.0739 0.1127 0.1886 417 TRP A CB 1426 C CG . TRP A 180 ? 0.8088 1.0841 1.1638 0.0797 0.1106 0.1705 417 TRP A CG 1427 C CD1 . TRP A 180 ? 1.0298 1.3306 1.3843 0.0830 0.1211 0.1573 417 TRP A CD1 1428 C CD2 . TRP A 180 ? 0.8173 1.1046 1.1509 0.0829 0.0982 0.1620 417 TRP A CD2 1429 N NE1 . TRP A 180 ? 1.1290 1.4569 1.4641 0.0882 0.1160 0.1399 417 TRP A NE1 1430 C CE2 . TRP A 180 ? 1.1838 1.5043 1.5063 0.0885 0.1011 0.1427 417 TRP A CE2 1431 C CE3 . TRP A 180 ? 0.5568 0.8296 0.8812 0.0811 0.0853 0.1666 417 TRP A CE3 1432 C CZ2 . TRP A 180 ? 1.5254 1.8653 1.8301 0.0927 0.0903 0.1282 417 TRP A CZ2 1433 C CZ3 . TRP A 180 ? 1.1202 1.4117 1.4256 0.0851 0.0745 0.1527 417 TRP A CZ3 1434 C CH2 . TRP A 180 ? 1.5105 1.8354 1.8073 0.0910 0.0763 0.1339 417 TRP A CH2 1435 N N . GLN A 181 ? 0.9610 1.2529 1.3483 0.0939 0.1608 0.2389 418 GLN A N 1436 C CA . GLN A 181 ? 1.0443 1.3727 1.4195 0.1031 0.1818 0.2462 418 GLN A CA 1437 C C . GLN A 181 ? 1.1324 1.4883 1.4880 0.1189 0.1961 0.2844 418 GLN A C 1438 O O . GLN A 181 ? 1.0751 1.4700 1.4026 0.1289 0.2096 0.2891 418 GLN A O 1439 C CB . GLN A 181 ? 0.5161 0.8311 0.9202 0.0968 0.1952 0.2427 418 GLN A CB 1440 C CG . GLN A 181 ? 0.9963 1.3225 1.4010 0.0912 0.1952 0.2092 418 GLN A CG 1441 C CD . GLN A 181 ? 1.3588 1.7283 1.7300 0.1004 0.2040 0.2008 418 GLN A CD 1442 O OE1 . GLN A 181 ? 1.3865 1.7840 1.7378 0.1109 0.2233 0.2226 418 GLN A OE1 1443 N NE2 . GLN A 181 ? 1.1787 1.5543 1.5420 0.0973 0.1898 0.1688 418 GLN A NE2 1444 N N . GLN A 182 ? 1.0346 1.3704 1.4037 0.1216 0.1922 0.3102 419 GLN A N 1445 C CA . GLN A 182 ? 1.3932 1.7471 1.7552 0.1375 0.2050 0.3511 419 GLN A CA 1446 C C . GLN A 182 ? 1.4415 1.8284 1.7687 0.1490 0.1942 0.3600 419 GLN A C 1447 O O . GLN A 182 ? 1.3180 1.7487 1.6121 0.1643 0.2037 0.3773 419 GLN A O 1448 C CB . GLN A 182 ? 1.5693 1.8804 1.9749 0.1332 0.2045 0.3662 419 GLN A CB 1449 C CG . GLN A 182 ? 1.7041 2.0158 2.1229 0.1462 0.2108 0.4015 419 GLN A CG 1450 C CD . GLN A 182 ? 1.7102 1.9806 2.1808 0.1416 0.2145 0.4082 419 GLN A CD 1451 O OE1 . GLN A 182 ? 1.8631 2.0984 2.3550 0.1325 0.1986 0.3959 419 GLN A OE1 1452 N NE2 . GLN A 182 ? 1.9352 2.2104 2.4257 0.1487 0.2363 0.4283 419 GLN A NE2 1453 N N . GLY A 183 ? 1.3413 1.7088 1.6725 0.1412 0.1736 0.3454 420 GLY A N 1454 C CA . GLY A 183 ? 1.3839 1.7835 1.6845 0.1497 0.1613 0.3460 420 GLY A CA 1455 C C . GLY A 183 ? 1.2998 1.6738 1.6118 0.1455 0.1466 0.3541 420 GLY A C 1456 O O . GLY A 183 ? 0.9798 1.3826 1.2696 0.1545 0.1389 0.3630 420 GLY A O 1457 N N . ASN A 184 ? 1.1712 1.4930 1.5154 0.1309 0.1434 0.3487 421 ASN A N 1458 C CA . ASN A 184 ? 0.5082 0.7996 0.8608 0.1206 0.1319 0.3479 421 ASN A CA 1459 C C . ASN A 184 ? 0.8212 1.1196 1.1487 0.1134 0.1125 0.3139 421 ASN A C 1460 O O . ASN A 184 ? 0.9167 1.2076 1.2381 0.1053 0.1023 0.2783 421 ASN A O 1461 C CB . ASN A 184 ? 0.6707 0.9084 1.0556 0.1035 0.1288 0.3336 421 ASN A CB 1462 C CG . ASN A 184 ? 1.1101 1.3347 1.5292 0.1095 0.1430 0.3552 421 ASN A CG 1463 O OD1 . ASN A 184 ? 1.1371 1.3816 1.5633 0.1245 0.1578 0.3772 421 ASN A OD1 1464 N ND2 . ASN A 184 ? 0.8734 1.0680 1.3146 0.0981 0.1384 0.3432 421 ASN A ND2 1465 N N . VAL A 185 ? 0.5942 0.9060 0.9101 0.1167 0.1071 0.3229 422 VAL A N 1466 C CA . VAL A 185 ? 1.0910 1.3965 1.3900 0.1093 0.0859 0.2871 422 VAL A CA 1467 C C . VAL A 185 ? 0.9618 1.2147 1.2783 0.0898 0.0771 0.2642 422 VAL A C 1468 O O . VAL A 185 ? 0.8439 1.0739 1.1840 0.0832 0.0853 0.2806 422 VAL A O 1469 C CB . VAL A 185 ? 1.1712 1.5071 1.4517 0.1195 0.0796 0.2973 422 VAL A CB 1470 C CG1 . VAL A 185 ? 1.4708 1.7727 1.7562 0.1066 0.0647 0.2749 422 VAL A CG1 1471 C CG2 . VAL A 185 ? 0.9791 1.3624 1.2279 0.1327 0.0704 0.2839 422 VAL A CG2 1472 N N . PHE A 186 ? 0.8108 1.0487 1.1166 0.0815 0.0619 0.2270 423 PHE A N 1473 C CA . PHE A 186 ? 0.6656 0.8624 0.9781 0.0662 0.0526 0.2046 423 PHE A CA 1474 C C . PHE A 186 ? 0.8488 1.0473 1.1418 0.0656 0.0374 0.1817 423 PHE A C 1475 O O . PHE A 186 ? 0.7973 1.0245 1.0753 0.0744 0.0321 0.1743 423 PHE A O 1476 C CB . PHE A 186 ? 0.3882 0.5680 0.7038 0.0589 0.0500 0.1835 423 PHE A CB 1477 C CG . PHE A 186 ? 0.8700 1.0406 1.2091 0.0577 0.0630 0.2007 423 PHE A CG 1478 C CD1 . PHE A 186 ? 1.1251 1.3218 1.4676 0.0678 0.0750 0.2152 423 PHE A CD1 1479 C CD2 . PHE A 186 ? 0.2444 0.3817 0.6036 0.0471 0.0637 0.2015 423 PHE A CD2 1480 C CE1 . PHE A 186 ? 0.8967 1.0831 1.2632 0.0675 0.0875 0.2298 423 PHE A CE1 1481 C CE2 . PHE A 186 ? 0.8346 0.9615 1.2200 0.0468 0.0746 0.2152 423 PHE A CE2 1482 C CZ . PHE A 186 ? 0.6070 0.7570 0.9965 0.0572 0.0865 0.2294 423 PHE A CZ 1483 N N . SER A 187 ? 0.6034 0.7736 0.8983 0.0557 0.0310 0.1699 424 SER A N 1484 C CA . SER A 187 ? 0.4669 0.6374 0.7454 0.0559 0.0182 0.1495 424 SER A CA 1485 C C . SER A 187 ? 0.5734 0.7141 0.8492 0.0446 0.0117 0.1285 424 SER A C 1486 O O . SER A 187 ? 0.5714 0.6882 0.8617 0.0354 0.0160 0.1337 424 SER A O 1487 C CB . SER A 187 ? 0.5219 0.7030 0.8036 0.0614 0.0186 0.1657 424 SER A CB 1488 O OG . SER A 187 ? 0.8196 1.0387 1.0914 0.0750 0.0174 0.1763 424 SER A OG 1489 N N . CYS A 188 ? 0.3112 0.4563 0.5739 0.0455 0.0027 0.1087 425 CYS A N 1490 C CA . CYS A 188 ? 0.6377 0.7590 0.8987 0.0362 -0.0016 0.0944 425 CYS A CA 1491 C C . CYS A 188 ? 0.7285 0.8475 0.9887 0.0360 -0.0055 0.0928 425 CYS A C 1492 O O . CYS A 188 ? 1.0069 1.1485 1.2610 0.0446 -0.0101 0.0900 425 CYS A O 1493 C CB . CYS A 188 ? 0.5746 0.7046 0.8251 0.0382 -0.0067 0.0757 425 CYS A CB 1494 S SG . CYS A 188 ? 0.9279 1.0288 1.1758 0.0278 -0.0103 0.0621 425 CYS A SG 1495 N N . SER A 189 ? 0.4166 0.5106 0.6853 0.0268 -0.0042 0.0936 426 SER A N 1496 C CA . SER A 189 ? 0.3920 0.4841 0.6636 0.0267 -0.0065 0.0930 426 SER A CA 1497 C C . SER A 189 ? 0.7028 0.7768 0.9694 0.0199 -0.0101 0.0777 426 SER A C 1498 O O . SER A 189 ? 0.6294 0.6828 0.8991 0.0120 -0.0089 0.0745 426 SER A O 1499 C CB . SER A 189 ? 0.3426 0.4223 0.6333 0.0220 -0.0005 0.1066 426 SER A CB 1500 O OG . SER A 189 ? 0.7045 0.7959 1.0043 0.0265 0.0060 0.1245 426 SER A OG 1501 N N . VAL A 190 ? 0.6820 0.7653 0.9423 0.0235 -0.0149 0.0683 427 VAL A N 1502 C CA . VAL A 190 ? 0.5204 0.5872 0.7774 0.0175 -0.0168 0.0558 427 VAL A CA 1503 C C . VAL A 190 ? 0.5545 0.6171 0.8196 0.0166 -0.0169 0.0562 427 VAL A C 1504 O O . VAL A 190 ? 0.8166 0.8971 1.0861 0.0233 -0.0182 0.0621 427 VAL A O 1505 C CB . VAL A 190 ? 0.5030 0.5842 0.7508 0.0217 -0.0207 0.0437 427 VAL A CB 1506 C CG1 . VAL A 190 ? 0.3393 0.4000 0.5866 0.0152 -0.0210 0.0337 427 VAL A CG1 1507 C CG2 . VAL A 190 ? 0.3784 0.4693 0.6210 0.0245 -0.0202 0.0437 427 VAL A CG2 1508 N N . MET A 191 ? 0.6183 0.6591 0.8866 0.0094 -0.0158 0.0500 428 MET A N 1509 C CA . MET A 191 ? 0.5689 0.6048 0.8469 0.0083 -0.0150 0.0484 428 MET A CA 1510 C C . MET A 191 ? 0.4116 0.4355 0.6865 0.0048 -0.0153 0.0362 428 MET A C 1511 O O . MET A 191 ? 1.0345 1.0417 1.3064 -0.0003 -0.0138 0.0327 428 MET A O 1512 C CB . MET A 191 ? 0.7438 0.7653 1.0352 0.0030 -0.0107 0.0548 428 MET A CB 1513 C CG . MET A 191 ? 1.0271 1.0399 1.3310 0.0006 -0.0085 0.0509 428 MET A CG 1514 S SD . MET A 191 ? 1.2429 1.2520 1.5624 -0.0012 -0.0034 0.0574 428 MET A SD 1515 C CE . MET A 191 ? 0.4460 0.4687 0.7730 0.0021 -0.0027 0.0763 428 MET A CE 1516 N N . HIS A 192 ? 0.7569 0.7914 1.0338 0.0082 -0.0174 0.0302 429 HIS A N 1517 C CA . HIS A 192 ? 0.8408 0.8654 1.1174 0.0055 -0.0165 0.0193 429 HIS A CA 1518 C C . HIS A 192 ? 0.8716 0.9053 1.1596 0.0078 -0.0170 0.0142 429 HIS A C 1519 O O . HIS A 192 ? 0.8500 0.9055 1.1421 0.0136 -0.0207 0.0172 429 HIS A O 1520 C CB . HIS A 192 ? 0.7874 0.8174 1.0552 0.0067 -0.0187 0.0135 429 HIS A CB 1521 C CG . HIS A 192 ? 0.5988 0.6177 0.8700 0.0039 -0.0166 0.0040 429 HIS A CG 1522 N ND1 . HIS A 192 ? 0.7732 0.8028 1.0523 0.0059 -0.0177 -0.0051 429 HIS A ND1 1523 C CD2 . HIS A 192 ? 0.4596 0.4595 0.7294 0.0000 -0.0129 0.0032 429 HIS A CD2 1524 C CE1 . HIS A 192 ? 0.7198 0.7339 1.0041 0.0027 -0.0134 -0.0111 429 HIS A CE1 1525 N NE2 . HIS A 192 ? 0.6925 0.6918 0.9685 0.0001 -0.0105 -0.0050 429 HIS A NE2 1526 N N . GLU A 193 ? 0.5440 0.5641 0.8381 0.0044 -0.0132 0.0068 430 GLU A N 1527 C CA . GLU A 193 ? 0.5843 0.6102 0.8936 0.0056 -0.0122 0.0024 430 GLU A CA 1528 C C . GLU A 193 ? 0.2687 0.3192 0.5829 0.0104 -0.0179 -0.0034 430 GLU A C 1529 O O . GLU A 193 ? 0.6599 0.7292 0.9829 0.0150 -0.0215 -0.0008 430 GLU A O 1530 C CB . GLU A 193 ? 0.1849 0.1928 0.5016 0.0016 -0.0050 -0.0042 430 GLU A CB 1531 C CG . GLU A 193 ? 0.4825 0.4886 0.8015 0.0009 -0.0033 -0.0131 430 GLU A CG 1532 C CD . GLU A 193 ? 0.7795 0.7776 1.0905 -0.0005 0.0055 -0.0144 430 GLU A CD 1533 O OE1 . GLU A 193 ? 1.0993 1.0950 1.3921 -0.0008 0.0074 -0.0090 430 GLU A OE1 1534 O OE2 . GLU A 193 ? 0.7657 0.7636 1.0883 -0.0009 0.0107 -0.0208 430 GLU A OE2 1535 N N . ALA A 194 ? 0.3029 0.3563 0.6123 0.0100 -0.0192 -0.0110 431 ALA A N 1536 C CA . ALA A 194 ? 0.1956 0.2744 0.5114 0.0137 -0.0246 -0.0199 431 ALA A CA 1537 C C . ALA A 194 ? 0.3583 0.4696 0.6666 0.0212 -0.0319 -0.0138 431 ALA A C 1538 O O . ALA A 194 ? 0.4997 0.6375 0.8107 0.0247 -0.0372 -0.0209 431 ALA A O 1539 C CB . ALA A 194 ? 0.4652 0.5357 0.7812 0.0105 -0.0227 -0.0306 431 ALA A CB 1540 N N . LEU A 195 ? 0.3954 0.5061 0.6960 0.0239 -0.0317 -0.0006 432 LEU A N 1541 C CA . LEU A 195 ? 0.4401 0.5823 0.7338 0.0329 -0.0370 0.0073 432 LEU A CA 1542 C C . LEU A 195 ? 0.6318 0.7902 0.9367 0.0391 -0.0401 0.0136 432 LEU A C 1543 O O . LEU A 195 ? 0.4677 0.6038 0.7826 0.0349 -0.0357 0.0175 432 LEU A O 1544 C CB . LEU A 195 ? 0.5457 0.6741 0.8278 0.0323 -0.0338 0.0183 432 LEU A CB 1545 C CG . LEU A 195 ? 0.6433 0.7680 0.9132 0.0304 -0.0327 0.0152 432 LEU A CG 1546 C CD1 . LEU A 195 ? 0.6908 0.7923 0.9555 0.0263 -0.0282 0.0257 432 LEU A CD1 1547 C CD2 . LEU A 195 ? 0.5363 0.7012 0.8003 0.0399 -0.0381 0.0133 432 LEU A CD2 1548 N N . HIS A 196 ? 0.5362 0.7360 0.8406 0.0500 -0.0478 0.0147 433 HIS A N 1549 C CA . HIS A 196 ? 0.6463 0.8650 0.9629 0.0583 -0.0524 0.0207 433 HIS A CA 1550 C C . HIS A 196 ? 0.5460 0.7419 0.8632 0.0585 -0.0479 0.0356 433 HIS A C 1551 O O . HIS A 196 ? 0.7398 0.9291 1.0453 0.0586 -0.0458 0.0423 433 HIS A O 1552 C CB . HIS A 196 ? 0.9226 1.1945 1.2361 0.0727 -0.0633 0.0193 433 HIS A CB 1553 C CG . HIS A 196 ? 1.2590 1.5498 1.5865 0.0833 -0.0703 0.0239 433 HIS A CG 1554 N ND1 . HIS A 196 ? 1.5684 1.8476 1.9161 0.0781 -0.0677 0.0241 433 HIS A ND1 1555 C CD2 . HIS A 196 ? 1.0874 1.3993 1.4167 0.0987 -0.0815 0.0270 433 HIS A CD2 1556 C CE1 . HIS A 196 ? 1.3581 1.6587 1.7169 0.0903 -0.0752 0.0301 433 HIS A CE1 1557 N NE2 . HIS A 196 ? 1.0440 1.3627 1.3920 0.1032 -0.0845 0.0325 433 HIS A NE2 1558 N N . ASN A 197 ? 0.7137 0.8964 1.0480 0.0568 -0.0451 0.0416 434 ASN A N 1559 C CA . ASN A 197 ? 0.7199 0.8770 1.0607 0.0531 -0.0380 0.0566 434 ASN A CA 1560 C C . ASN A 197 ? 0.3860 0.5093 0.7183 0.0412 -0.0296 0.0564 434 ASN A C 1561 O O . ASN A 197 ? 0.6980 0.8064 1.0347 0.0381 -0.0242 0.0683 434 ASN A O 1562 C CB . ASN A 197 ? 0.4751 0.6509 0.8148 0.0639 -0.0414 0.0727 434 ASN A CB 1563 C CG . ASN A 197 ? 0.7385 0.9358 1.0946 0.0747 -0.0476 0.0794 434 ASN A CG 1564 O OD1 . ASN A 197 ? 0.5185 0.7071 0.8933 0.0717 -0.0452 0.0777 434 ASN A OD1 1565 N ND2 . ASN A 197 ? 0.9051 1.1303 1.2560 0.0879 -0.0562 0.0872 434 ASN A ND2 1566 N N . HIS A 198 ? 0.2868 0.3994 0.6096 0.0347 -0.0288 0.0432 435 HIS A N 1567 C CA . HIS A 198 ? 0.6540 0.7362 0.9694 0.0247 -0.0227 0.0412 435 HIS A CA 1568 C C . HIS A 198 ? 0.5603 0.6422 0.8641 0.0250 -0.0219 0.0496 435 HIS A C 1569 O O . HIS A 198 ? 0.6394 0.6992 0.9410 0.0176 -0.0173 0.0507 435 HIS A O 1570 C CB . HIS A 198 ? 0.2362 0.2942 0.5662 0.0179 -0.0161 0.0432 435 HIS A CB 1571 C CG . HIS A 198 ? 0.4824 0.5318 0.8212 0.0147 -0.0141 0.0319 435 HIS A CG 1572 N ND1 . HIS A 198 ? 0.7785 0.8083 1.1303 0.0091 -0.0074 0.0296 435 HIS A ND1 1573 C CD2 . HIS A 198 ? 0.5208 0.5788 0.8604 0.0161 -0.0166 0.0214 435 HIS A CD2 1574 C CE1 . HIS A 198 ? 0.6520 0.6789 1.0103 0.0079 -0.0055 0.0194 435 HIS A CE1 1575 N NE2 . HIS A 198 ? 0.5511 0.5938 0.9035 0.0116 -0.0110 0.0144 435 HIS A NE2 1576 N N . TYR A 199 ? 0.4568 0.5657 0.7541 0.0342 -0.0266 0.0544 436 TYR A N 1577 C CA . TYR A 199 ? 0.3921 0.5019 0.6835 0.0355 -0.0243 0.0653 436 TYR A CA 1578 C C . TYR A 199 ? 0.5290 0.6717 0.8104 0.0468 -0.0306 0.0649 436 TYR A C 1579 O O . TYR A 199 ? 0.5445 0.7105 0.8310 0.0567 -0.0359 0.0695 436 TYR A O 1580 C CB . TYR A 199 ? 0.3670 0.4694 0.6745 0.0350 -0.0193 0.0818 436 TYR A CB 1581 C CG . TYR A 199 ? 0.4068 0.5123 0.7131 0.0365 -0.0153 0.0961 436 TYR A CG 1582 C CD1 . TYR A 199 ? 0.5322 0.6158 0.8418 0.0270 -0.0090 0.0982 436 TYR A CD1 1583 C CD2 . TYR A 199 ? 0.3600 0.4920 0.6629 0.0480 -0.0181 0.1069 436 TYR A CD2 1584 C CE1 . TYR A 199 ? 0.6294 0.7165 0.9414 0.0279 -0.0043 0.1112 436 TYR A CE1 1585 C CE2 . TYR A 199 ? 0.6517 0.7866 0.9545 0.0494 -0.0128 0.1213 436 TYR A CE2 1586 C CZ . TYR A 199 ? 0.7293 0.8416 1.0380 0.0389 -0.0051 0.1237 436 TYR A CZ 1587 O OH . TYR A 199 ? 0.8935 1.0097 1.2060 0.0400 0.0016 0.1385 436 TYR A OH 1588 N N . THR A 200 ? 0.3908 0.5368 0.6598 0.0464 -0.0309 0.0590 437 THR A N 1589 C CA . THR A 200 ? 0.6278 0.8039 0.8896 0.0571 -0.0360 0.0589 437 THR A CA 1590 C C . THR A 200 ? 0.6777 0.8435 0.9362 0.0545 -0.0295 0.0709 437 THR A C 1591 O O . THR A 200 ? 0.4979 0.6358 0.7609 0.0448 -0.0222 0.0778 437 THR A O 1592 C CB . THR A 200 ? 0.5492 0.7495 0.8037 0.0611 -0.0426 0.0379 437 THR A CB 1593 O OG1 . THR A 200 ? 0.4584 0.6876 0.7130 0.0721 -0.0509 0.0343 437 THR A OG1 1594 C CG2 . THR A 200 ? 0.5296 0.7116 0.7767 0.0524 -0.0370 0.0325 437 THR A CG2 1595 N N . GLN A 201 ? 0.5621 0.7516 0.8151 0.0631 -0.0327 0.0719 438 GLN A N 1596 C CA . GLN A 201 ? 0.6179 0.8025 0.8698 0.0620 -0.0252 0.0858 438 GLN A CA 1597 C C . GLN A 201 ? 0.5608 0.7739 0.8063 0.0710 -0.0294 0.0815 438 GLN A C 1598 O O . GLN A 201 ? 0.5530 0.7917 0.7981 0.0802 -0.0367 0.0836 438 GLN A O 1599 C CB . GLN A 201 ? 0.7312 0.9085 0.9939 0.0620 -0.0177 0.1106 438 GLN A CB 1600 C CG . GLN A 201 ? 0.7198 0.9164 0.9814 0.0706 -0.0134 0.1300 438 GLN A CG 1601 C CD . GLN A 201 ? 0.8830 1.0711 1.1605 0.0696 -0.0039 0.1549 438 GLN A CD 1602 O OE1 . GLN A 201 ? 1.0805 1.2437 1.3726 0.0598 0.0008 0.1557 438 GLN A OE1 1603 N NE2 . GLN A 201 ? 0.7334 0.9459 1.0143 0.0796 0.0013 0.1807 438 GLN A NE2 1604 N N . LYS A 202 ? 0.7228 0.9319 0.9656 0.0678 -0.0252 0.0762 439 LYS A N 1605 C CA . LYS A 202 ? 0.7794 1.0166 1.0219 0.0748 -0.0257 0.0764 439 LYS A CA 1606 C C . LYS A 202 ? 1.0053 1.2432 1.2500 0.0755 -0.0131 0.0999 439 LYS A C 1607 O O . LYS A 202 ? 0.7566 0.9658 1.0052 0.0671 -0.0066 0.1035 439 LYS A O 1608 C CB . LYS A 202 ? 0.4896 0.7298 0.7349 0.0719 -0.0310 0.0476 439 LYS A CB 1609 C CG . LYS A 202 ? 0.9980 1.2475 1.2509 0.0727 -0.0429 0.0268 439 LYS A CG 1610 C CD . LYS A 202 ? 1.1701 1.4526 1.4235 0.0812 -0.0489 0.0421 439 LYS A CD 1611 C CE . LYS A 202 ? 1.1477 1.4341 1.4146 0.0790 -0.0610 0.0271 439 LYS A CE 1612 N NZ . LYS A 202 ? 1.1337 1.3978 1.4010 0.0783 -0.0638 0.0209 439 LYS A NZ 1613 N N . SER A 203 ? 0.9361 1.2110 1.1775 0.0862 -0.0091 0.1169 440 SER A N 1614 C CA . SER A 203 ? 0.6483 0.9316 0.8930 0.0898 0.0055 0.1429 440 SER A CA 1615 C C . SER A 203 ? 0.8923 1.1919 1.1373 0.0915 0.0103 0.1325 440 SER A C 1616 O O . SER A 203 ? 0.9976 1.3045 1.2416 0.0899 0.0024 0.1054 440 SER A O 1617 C CB . SER A 203 ? 0.5727 0.8910 0.8100 0.1034 0.0117 0.1761 440 SER A CB 1618 O OG . SER A 203 ? 1.0119 1.3798 1.2308 0.1162 0.0075 0.1734 440 SER A OG 1619 N N . LEU A 204 ? 0.8777 1.1835 1.1286 0.0946 0.0248 0.1545 441 LEU A N 1620 C CA . LEU A 204 ? 0.7865 1.0976 1.0434 0.0935 0.0317 0.1434 441 LEU A CA 1621 C C . LEU A 204 ? 0.8595 1.1815 1.1239 0.0994 0.0500 0.1741 441 LEU A C 1622 O O . LEU A 204 ? 0.8192 1.1117 1.0979 0.0934 0.0560 0.1908 441 LEU A O 1623 C CB . LEU A 204 ? 0.7741 1.0403 1.0411 0.0786 0.0251 0.1184 441 LEU A CB 1624 C CG . LEU A 204 ? 0.7430 0.9973 1.0207 0.0730 0.0301 0.1056 441 LEU A CG 1625 C CD1 . LEU A 204 ? 0.7851 1.0671 1.0635 0.0774 0.0300 0.0841 441 LEU A CD1 1626 C CD2 . LEU A 204 ? 1.0636 1.2763 1.3401 0.0608 0.0213 0.0897 441 LEU A CD2 1627 N N . SER A 205 ? 0.8150 1.1810 1.0702 0.1115 0.0602 0.1806 442 SER A N 1628 C CA . SER A 205 ? 0.8912 1.2700 1.1530 0.1184 0.0805 0.2099 442 SER A CA 1629 C C . SER A 205 ? 0.8768 1.2936 1.1290 0.1256 0.0921 0.1991 442 SER A C 1630 O O . SER A 205 ? 0.8643 1.3119 1.0999 0.1298 0.0851 0.1747 442 SER A O 1631 C CB . SER A 205 ? 0.9953 1.3979 1.2487 0.1322 0.0888 0.2524 442 SER A CB 1632 O OG . SER A 205 ? 0.9556 1.4156 1.1790 0.1488 0.0850 0.2563 442 SER A OG 1633 N N . LEU A 206 ? 1.0976 1.5104 1.3614 0.1260 0.1107 0.2149 443 LEU A N 1634 C CA . LEU A 206 ? 1.1738 1.6179 1.4279 0.1312 0.1264 0.2053 443 LEU A CA 1635 C C . LEU A 206 ? 1.2320 1.7389 1.4466 0.1485 0.1307 0.2107 443 LEU A C 1636 O O . LEU A 206 ? 1.4367 1.9680 1.6345 0.1611 0.1311 0.2418 443 LEU A O 1637 C CB . LEU A 206 ? 1.2607 1.6909 1.5312 0.1305 0.1469 0.2298 443 LEU A CB 1638 C CG . LEU A 206 ? 1.2570 1.7134 1.5176 0.1359 0.1700 0.2316 443 LEU A CG 1639 C CD1 . LEU A 206 ? 1.5287 2.0332 1.7508 0.1541 0.1844 0.2611 443 LEU A CD1 1640 C CD2 . LEU A 206 ? 0.7280 1.1872 0.9939 0.1283 0.1715 0.1909 443 LEU A CD2 1641 N N . SER A 207 ? 1.2240 1.7584 1.4234 0.1496 0.1337 0.1791 444 SER A N 1642 C CA . SER A 207 ? 1.4914 2.0886 1.6461 0.1649 0.1365 0.1745 444 SER A CA 1643 C C . SER A 207 ? 1.3693 1.9926 1.4971 0.1740 0.1611 0.1946 444 SER A C 1644 O O . SER A 207 ? 1.1277 1.7994 1.2114 0.1846 0.1649 0.1844 444 SER A O 1645 C CB . SER A 207 ? 1.7423 2.3541 1.8922 0.1605 0.1261 0.1243 444 SER A CB 1646 O OG . SER A 207 ? 1.7931 2.4609 1.8988 0.1720 0.1345 0.1110 444 SER A OG 1647 N N . PRO B 1 ? 2.4388 1.3600 1.3124 -0.2149 0.6284 -0.1894 238 PRO B N 1648 C CA . PRO B 1 ? 2.2039 1.1449 1.1083 -0.2201 0.5846 -0.1516 238 PRO B CA 1649 C C . PRO B 1 ? 2.2685 1.2120 1.2378 -0.2257 0.5432 -0.1666 238 PRO B C 1650 O O . PRO B 1 ? 2.4014 1.3358 1.3267 -0.2333 0.5090 -0.1932 238 PRO B O 1651 C CB . PRO B 1 ? 2.3086 1.2509 1.1081 -0.2249 0.5601 -0.1442 238 PRO B CB 1652 C CG . PRO B 1 ? 2.3810 1.3199 1.1148 -0.2182 0.6016 -0.1546 238 PRO B CG 1653 C CD . PRO B 1 ? 2.4687 1.3949 1.2478 -0.2139 0.6274 -0.1965 238 PRO B CD 1654 N N . SER B 2 ? 2.1912 1.1515 1.2633 -0.2222 0.5463 -0.1490 239 SER B N 1655 C CA . SER B 2 ? 2.2637 1.2327 1.4087 -0.2252 0.5126 -0.1597 239 SER B CA 1656 C C . SER B 2 ? 1.9845 0.9789 1.1635 -0.2286 0.4688 -0.1261 239 SER B C 1657 O O . SER B 2 ? 1.7481 0.7550 0.9233 -0.2274 0.4726 -0.0920 239 SER B O 1658 C CB . SER B 2 ? 2.4823 1.4607 1.7237 -0.2174 0.5458 -0.1630 239 SER B CB 1659 O OG . SER B 2 ? 2.4691 1.4429 1.7014 -0.2098 0.5996 -0.1574 239 SER B OG 1660 N N . VAL B 3 ? 1.6580 0.6602 0.8765 -0.2325 0.4292 -0.1362 240 VAL B N 1661 C CA . VAL B 3 ? 2.0958 1.1196 1.3350 -0.2356 0.3828 -0.1106 240 VAL B CA 1662 C C . VAL B 3 ? 1.8352 0.8858 1.1753 -0.2334 0.3625 -0.1085 240 VAL B C 1663 O O . VAL B 3 ? 2.0026 1.0475 1.3749 -0.2334 0.3641 -0.1344 240 VAL B O 1664 C CB . VAL B 3 ? 2.1119 1.1219 1.2678 -0.2437 0.3419 -0.1222 240 VAL B CB 1665 C CG1 . VAL B 3 ? 2.2776 1.2959 1.4735 -0.2482 0.2994 -0.1370 240 VAL B CG1 1666 C CG2 . VAL B 3 ? 2.1892 1.2081 1.3070 -0.2442 0.3232 -0.0864 240 VAL B CG2 1667 N N . PHE B 4 ? 1.6024 0.6837 0.9938 -0.2314 0.3435 -0.0781 241 PHE B N 1668 C CA . PHE B 4 ? 1.7206 0.8754 1.2194 -0.2178 0.3156 -0.0716 241 PHE B CA 1669 C C . PHE B 4 ? 1.9642 1.1470 1.4788 -0.2174 0.2644 -0.0559 241 PHE B C 1670 O O . PHE B 4 ? 2.1415 1.2991 1.6020 -0.2246 0.2532 -0.0409 241 PHE B O 1671 C CB . PHE B 4 ? 1.5995 0.8181 1.1839 -0.2018 0.3379 -0.0549 241 PHE B CB 1672 C CG . PHE B 4 ? 1.7990 1.0019 1.3875 -0.1987 0.3872 -0.0678 241 PHE B CG 1673 C CD1 . PHE B 4 ? 2.1082 1.2950 1.7063 -0.1988 0.3966 -0.0917 241 PHE B CD1 1674 C CD2 . PHE B 4 ? 1.7957 1.0043 1.3851 -0.1940 0.4232 -0.0560 241 PHE B CD2 1675 C CE1 . PHE B 4 ? 2.0939 1.2666 1.7009 -0.1945 0.4444 -0.1033 241 PHE B CE1 1676 C CE2 . PHE B 4 ? 1.9924 1.1868 1.5877 -0.1898 0.4705 -0.0665 241 PHE B CE2 1677 C CZ . PHE B 4 ? 2.0830 1.2565 1.6859 -0.1905 0.4835 -0.0901 241 PHE B CZ 1678 N N . LEU B 5 ? 1.7322 0.9676 1.3238 -0.2079 0.2352 -0.0564 242 LEU B N 1679 C CA . LEU B 5 ? 1.3522 0.6143 0.9636 -0.2064 0.1877 -0.0440 242 LEU B CA 1680 C C . LEU B 5 ? 1.2096 0.5534 0.9308 -0.1898 0.1699 -0.0300 242 LEU B C 1681 O O . LEU B 5 ? 1.6903 1.0611 1.4670 -0.1831 0.1711 -0.0366 242 LEU B O 1682 C CB . LEU B 5 ? 1.1849 0.4099 0.7509 -0.2177 0.1602 -0.0632 242 LEU B CB 1683 C CG . LEU B 5 ? 1.5799 0.8159 1.1408 -0.2196 0.1129 -0.0502 242 LEU B CG 1684 C CD1 . LEU B 5 ? 1.7738 0.9736 1.2629 -0.2276 0.1109 -0.0326 242 LEU B CD1 1685 C CD2 . LEU B 5 ? 1.8653 1.0730 1.3892 -0.2308 0.0858 -0.0714 242 LEU B CD2 1686 N N . PHE B 6 ? 1.1481 0.5283 0.8980 -0.1838 0.1529 -0.0109 243 PHE B N 1687 C CA . PHE B 6 ? 1.1191 0.5719 0.9604 -0.1704 0.1405 0.0012 243 PHE B CA 1688 C C . PHE B 6 ? 1.1832 0.6631 1.0532 -0.1670 0.0987 0.0104 243 PHE B C 1689 O O . PHE B 6 ? 1.5052 0.9629 1.3361 -0.1714 0.0835 0.0156 243 PHE B O 1690 C CB . PHE B 6 ? 1.4699 0.9502 1.3320 -0.1658 0.1600 0.0118 243 PHE B CB 1691 C CG . PHE B 6 ? 1.4869 0.9403 1.3197 -0.1683 0.2035 0.0051 243 PHE B CG 1692 C CD1 . PHE B 6 ? 1.3094 0.7948 1.1901 -0.1605 0.2274 0.0024 243 PHE B CD1 1693 C CD2 . PHE B 6 ? 1.6248 1.0205 1.3808 -0.1782 0.2221 0.0035 243 PHE B CD2 1694 C CE1 . PHE B 6 ? 1.6692 1.1302 1.5266 -0.1614 0.2690 -0.0036 243 PHE B CE1 1695 C CE2 . PHE B 6 ? 1.8074 1.1774 1.5363 -0.1801 0.2642 -0.0020 243 PHE B CE2 1696 C CZ . PHE B 6 ? 1.7776 1.1811 1.5596 -0.1712 0.2878 -0.0063 243 PHE B CZ 1697 N N . PRO B 7 ? 0.9967 0.5242 0.9342 -0.1589 0.0816 0.0146 244 PRO B N 1698 C CA . PRO B 7 ? 1.0623 0.6235 1.0402 -0.1538 0.0459 0.0243 244 PRO B CA 1699 C C . PRO B 7 ? 1.0466 0.6396 1.0470 -0.1495 0.0394 0.0364 244 PRO B C 1700 O O . PRO B 7 ? 1.0738 0.6761 1.0731 -0.1498 0.0602 0.0381 244 PRO B O 1701 C CB . PRO B 7 ? 0.8945 0.4949 0.9244 -0.1490 0.0382 0.0290 244 PRO B CB 1702 C CG . PRO B 7 ? 0.9655 0.5760 1.0016 -0.1465 0.0757 0.0258 244 PRO B CG 1703 C CD . PRO B 7 ? 0.9097 0.4636 0.8889 -0.1535 0.1004 0.0125 244 PRO B CD 1704 N N . PRO B 8 ? 0.9990 0.6107 1.0256 -0.1442 0.0178 0.0412 245 PRO B N 1705 C CA . PRO B 8 ? 0.7299 0.3783 0.7872 -0.1377 0.0128 0.0480 245 PRO B CA 1706 C C . PRO B 8 ? 0.6402 0.3167 0.6782 -0.1453 0.0089 0.0489 245 PRO B C 1707 O O . PRO B 8 ? 0.9318 0.6176 0.9810 -0.1454 0.0173 0.0462 245 PRO B O 1708 C CB . PRO B 8 ? 0.8544 0.4954 0.8929 -0.1350 0.0122 0.0411 245 PRO B CB 1709 C CG . PRO B 8 ? 0.9069 0.5426 0.9356 -0.1365 0.0006 0.0373 245 PRO B CG 1710 C CD . PRO B 8 ? 0.8242 0.4246 0.8358 -0.1436 0.0064 0.0344 245 PRO B CD 1711 N N . LYS B 9 ? 0.9328 0.6315 0.9857 -0.1469 0.0194 0.0483 246 LYS B N 1712 C CA . LYS B 9 ? 0.7798 0.5460 0.8918 -0.1378 0.0359 0.0449 246 LYS B CA 1713 C C . LYS B 9 ? 0.6263 0.4312 0.7727 -0.1275 0.0207 0.0449 246 LYS B C 1714 O O . LYS B 9 ? 0.7550 0.5409 0.8828 -0.1264 0.0045 0.0437 246 LYS B O 1715 C CB . LYS B 9 ? 0.9178 0.7072 1.0503 -0.1385 0.0440 0.0421 246 LYS B CB 1716 C CG . LYS B 9 ? 0.9523 0.7549 1.1015 -0.1384 0.0706 0.0415 246 LYS B CG 1717 C CD . LYS B 9 ? 1.3306 1.0800 1.4387 -0.1430 0.0818 0.0440 246 LYS B CD 1718 C CE . LYS B 9 ? 1.4450 1.2139 1.5735 -0.1386 0.1133 0.0420 246 LYS B CE 1719 N NZ . LYS B 9 ? 1.4350 1.1660 1.5366 -0.1386 0.1230 0.0411 246 LYS B NZ 1720 N N . PRO B 10 ? 0.6682 0.5339 0.8752 -0.1156 0.0243 0.0496 247 PRO B N 1721 C CA . PRO B 10 ? 0.5790 0.4937 0.8329 -0.1014 0.0026 0.0566 247 PRO B CA 1722 C C . PRO B 10 ? 0.5223 0.4577 0.7888 -0.0975 -0.0161 0.0553 247 PRO B C 1723 O O . PRO B 10 ? 0.6183 0.5422 0.8749 -0.0944 -0.0402 0.0586 247 PRO B O 1724 C CB . PRO B 10 ? 0.7173 0.6947 1.0280 -0.0876 0.0148 0.0636 247 PRO B CB 1725 C CG . PRO B 10 ? 0.9265 0.8745 1.2188 -0.0947 0.0409 0.0610 247 PRO B CG 1726 C CD . PRO B 10 ? 0.6170 0.5034 0.8485 -0.1121 0.0475 0.0521 247 PRO B CD 1727 N N . LYS B 11 ? 0.8296 0.7945 1.1165 -0.0977 -0.0053 0.0496 248 LYS B N 1728 C CA . LYS B 11 ? 0.8414 0.8284 1.1440 -0.0944 -0.0192 0.0441 248 LYS B CA 1729 C C . LYS B 11 ? 0.9126 0.8458 1.1763 -0.1010 -0.0348 0.0422 248 LYS B C 1730 O O . LYS B 11 ? 0.6839 0.6348 0.9651 -0.0930 -0.0566 0.0431 248 LYS B O 1731 C CB . LYS B 11 ? 0.8414 0.8492 1.1550 -0.1001 0.0002 0.0331 248 LYS B CB 1732 C CG . LYS B 11 ? 0.5474 0.6155 0.8897 -0.0901 -0.0077 0.0253 248 LYS B CG 1733 C CD . LYS B 11 ? 0.5365 0.6286 0.8846 -0.0967 0.0104 0.0143 248 LYS B CD 1734 C CE . LYS B 11 ? 0.8553 1.0102 1.2103 -0.0886 0.0025 0.0046 248 LYS B CE 1735 N NZ . LYS B 11 ? 0.9140 1.0645 1.2799 -0.0972 0.0041 -0.0108 248 LYS B NZ 1736 N N . ASP B 12 ? 0.9269 0.7932 1.1316 -0.1132 -0.0223 0.0404 249 ASP B N 1737 C CA . ASP B 12 ? 0.9300 0.7414 1.0879 -0.1169 -0.0307 0.0402 249 ASP B CA 1738 C C . ASP B 12 ? 0.9218 0.7362 1.0792 -0.1075 -0.0607 0.0493 249 ASP B C 1739 O O . ASP B 12 ? 1.3328 1.1407 1.4866 -0.1032 -0.0802 0.0527 249 ASP B O 1740 C CB . ASP B 12 ? 1.2889 1.0314 1.3832 -0.1288 -0.0077 0.0387 249 ASP B CB 1741 C CG . ASP B 12 ? 1.2854 1.0110 1.3626 -0.1411 0.0114 0.0354 249 ASP B CG 1742 O OD1 . ASP B 12 ? 0.7575 0.5245 0.8788 -0.1391 0.0104 0.0311 249 ASP B OD1 1743 O OD2 . ASP B 12 ? 0.8007 0.4861 0.8333 -0.1484 0.0141 0.0417 249 ASP B OD2 1744 N N . THR B 13 ? 1.1021 0.9245 1.2623 -0.1051 -0.0652 0.0541 250 THR B N 1745 C CA . THR B 13 ? 0.8325 0.6559 0.9885 -0.0988 -0.0950 0.0633 250 THR B CA 1746 C C . THR B 13 ? 0.6771 0.5614 0.8901 -0.0844 -0.1225 0.0731 250 THR B C 1747 O O . THR B 13 ? 1.1225 1.0063 1.3314 -0.0790 -0.1514 0.0818 250 THR B O 1748 C CB . THR B 13 ? 0.7895 0.5983 0.9336 -0.1025 -0.0882 0.0630 250 THR B CB 1749 O OG1 . THR B 13 ? 0.9348 0.7899 1.1285 -0.0973 -0.0757 0.0646 250 THR B OG1 1750 C CG2 . THR B 13 ? 0.5710 0.3161 0.6599 -0.1154 -0.0619 0.0539 250 THR B CG2 1751 N N . LEU B 14 ? 0.3961 0.3323 0.6602 -0.0766 -0.1126 0.0736 251 LEU B N 1752 C CA . LEU B 14 ? 0.4956 0.4787 0.7995 -0.0584 -0.1275 0.0841 251 LEU B CA 1753 C C . LEU B 14 ? 0.4045 0.4006 0.7148 -0.0543 -0.1282 0.0754 251 LEU B C 1754 O O . LEU B 14 ? 0.6997 0.7330 1.0139 -0.0449 -0.1170 0.0698 251 LEU B O 1755 C CB . LEU B 14 ? 0.2620 0.2831 0.5883 -0.0507 -0.1052 0.0854 251 LEU B CB 1756 C CG . LEU B 14 ? 0.5669 0.5791 0.8984 -0.0572 -0.0924 0.0872 251 LEU B CG 1757 C CD1 . LEU B 14 ? 0.5667 0.6157 0.9163 -0.0511 -0.0665 0.0853 251 LEU B CD1 1758 C CD2 . LEU B 14 ? 0.6186 0.6202 0.9521 -0.0523 -0.1100 0.1003 251 LEU B CD2 1759 N N . MET B 15 ? 0.5681 0.5330 0.8629 -0.0648 -0.1319 0.0671 252 MET B N 1760 C CA . MET B 15 ? 0.3233 0.2993 0.6334 -0.0618 -0.1330 0.0561 252 MET B CA 1761 C C . MET B 15 ? 0.8398 0.7631 1.1175 -0.0686 -0.1487 0.0599 252 MET B C 1762 O O . MET B 15 ? 0.6521 0.5277 0.8880 -0.0814 -0.1311 0.0555 252 MET B O 1763 C CB . MET B 15 ? 0.5499 0.5401 0.8732 -0.0711 -0.1056 0.0375 252 MET B CB 1764 C CG . MET B 15 ? 0.6743 0.7277 1.0172 -0.0627 -0.0889 0.0293 252 MET B CG 1765 S SD . MET B 15 ? 1.6678 1.7385 2.0235 -0.0754 -0.0620 0.0093 252 MET B SD 1766 C CE . MET B 15 ? 1.1449 1.1970 1.5128 -0.0783 -0.0710 -0.0067 252 MET B CE 1767 N N . ILE B 16 ? 0.7884 0.7141 1.0736 -0.0574 -0.1761 0.0701 253 ILE B N 1768 C CA . ILE B 16 ? 0.6528 0.5367 0.9049 -0.0617 -0.1946 0.0771 253 ILE B CA 1769 C C . ILE B 16 ? 0.8400 0.6850 1.0733 -0.0704 -0.1728 0.0653 253 ILE B C 1770 O O . ILE B 16 ? 0.8072 0.6017 0.9906 -0.0763 -0.1684 0.0719 253 ILE B O 1771 C CB . ILE B 16 ? 0.9079 0.8045 1.1779 -0.0478 -0.2200 0.0875 253 ILE B CB 1772 C CG1 . ILE B 16 ? 0.8695 0.7392 1.1119 -0.0578 -0.2443 0.0931 253 ILE B CG1 1773 C CG2 . ILE B 16 ? 1.0230 0.9389 1.3301 -0.0394 -0.2062 0.0725 253 ILE B CG2 1774 C CD1 . ILE B 16 ? 0.7458 0.5784 0.9269 -0.0679 -0.2404 0.0994 253 ILE B CD1 1775 N N . ALA B 17 ? 0.7983 0.6679 1.0712 -0.0705 -0.1565 0.0482 254 ALA B N 1776 C CA . ALA B 17 ? 0.5991 0.4345 0.8633 -0.0784 -0.1349 0.0366 254 ALA B CA 1777 C C . ALA B 17 ? 0.6672 0.4582 0.8837 -0.0925 -0.1039 0.0361 254 ALA B C 1778 O O . ALA B 17 ? 0.8291 0.5769 1.0234 -0.0983 -0.0880 0.0353 254 ALA B O 1779 C CB . ALA B 17 ? 0.7831 0.6643 1.1051 -0.0758 -0.1276 0.0141 254 ALA B CB 1780 N N . ARG B 18 ? 0.8022 0.6025 1.0052 -0.0971 -0.0942 0.0376 255 ARG B N 1781 C CA . ARG B 18 ? 0.9509 0.7122 1.1138 -0.1098 -0.0635 0.0354 255 ARG B CA 1782 C C . ARG B 18 ? 0.9118 0.6241 1.0187 -0.1114 -0.0633 0.0488 255 ARG B C 1783 O O . ARG B 18 ? 0.8359 0.5496 0.9338 -0.1041 -0.0900 0.0598 255 ARG B O 1784 C CB . ARG B 18 ? 0.6283 0.4275 0.8128 -0.1139 -0.0497 0.0285 255 ARG B CB 1785 C CG . ARG B 18 ? 0.7422 0.6092 0.9921 -0.1080 -0.0555 0.0174 255 ARG B CG 1786 C CD . ARG B 18 ? 0.8413 0.7425 1.1084 -0.1121 -0.0368 0.0136 255 ARG B CD 1787 N NE . ARG B 18 ? 1.1439 0.9936 1.3639 -0.1253 -0.0137 0.0155 255 ARG B NE 1788 C CZ . ARG B 18 ? 1.2195 1.0797 1.4511 -0.1330 0.0059 0.0085 255 ARG B CZ 1789 N NH1 . ARG B 18 ? 0.5001 0.4204 0.7860 -0.1292 0.0077 -0.0040 255 ARG B NH1 1790 N NH2 . ARG B 18 ? 1.7862 1.6007 1.9756 -0.1429 0.0215 0.0145 255 ARG B NH2 1791 N N . THR B 19 ? 0.8279 0.5009 0.9009 -0.1210 -0.0345 0.0481 256 THR B N 1792 C CA . THR B 19 ? 0.9755 0.6050 1.0059 -0.1217 -0.0337 0.0612 256 THR B CA 1793 C C . THR B 19 ? 1.1695 0.7927 1.1880 -0.1269 -0.0169 0.0588 256 THR B C 1794 O O . THR B 19 ? 1.6174 1.2273 1.6442 -0.1319 0.0110 0.0571 256 THR B O 1795 C CB . THR B 19 ? 1.0696 0.6565 1.0845 -0.1245 -0.0174 0.0698 256 THR B CB 1796 O OG1 . THR B 19 ? 0.8999 0.4871 0.9254 -0.1186 -0.0338 0.0736 256 THR B OG1 1797 C CG2 . THR B 19 ? 1.0817 0.6302 1.0504 -0.1270 -0.0233 0.0876 256 THR B CG2 1798 N N . PRO B 20 ? 1.2431 0.8795 1.2542 -0.1246 -0.0361 0.0601 257 PRO B N 1799 C CA . PRO B 20 ? 1.1404 0.7699 1.1444 -0.1292 -0.0220 0.0562 257 PRO B CA 1800 C C . PRO B 20 ? 1.0053 0.5839 0.9568 -0.1364 -0.0227 0.0646 257 PRO B C 1801 O O . PRO B 20 ? 0.9949 0.5455 0.9026 -0.1380 -0.0449 0.0748 257 PRO B O 1802 C CB . PRO B 20 ? 1.1798 0.8353 1.1905 -0.1248 -0.0481 0.0566 257 PRO B CB 1803 C CG . PRO B 20 ? 1.1584 0.8156 1.1592 -0.1193 -0.0826 0.0667 257 PRO B CG 1804 C CD . PRO B 20 ? 1.3156 0.9752 1.3322 -0.1170 -0.0733 0.0662 257 PRO B CD 1805 N N . GLU B 21 ? 0.9522 0.5173 0.8989 -0.1423 -0.0020 0.0619 258 GLU B N 1806 C CA . GLU B 21 ? 1.1492 0.6580 1.0210 -0.1526 0.0002 0.0674 258 GLU B CA 1807 C C . GLU B 21 ? 1.3184 0.8112 1.1697 -0.1594 0.0181 0.0576 258 GLU B C 1808 O O . GLU B 21 ? 1.3746 0.8950 1.2684 -0.1570 0.0366 0.0534 258 GLU B O 1809 C CB . GLU B 21 ? 0.8727 0.3607 0.7306 -0.1546 0.0133 0.0786 258 GLU B CB 1810 C CG . GLU B 21 ? 1.4403 0.9623 1.3583 -0.1522 0.0324 0.0759 258 GLU B CG 1811 C CD . GLU B 21 ? 1.6081 1.1211 1.5362 -0.1525 0.0374 0.0870 258 GLU B CD 1812 O OE1 . GLU B 21 ? 1.5604 1.1083 1.5498 -0.1492 0.0333 0.0840 258 GLU B OE1 1813 O OE2 . GLU B 21 ? 1.3392 0.8084 1.2129 -0.1573 0.0437 0.0996 258 GLU B OE2 1814 N N . VAL B 22 ? 1.1136 0.5595 0.8956 -0.1691 0.0107 0.0537 259 VAL B N 1815 C CA . VAL B 22 ? 1.2805 0.6999 1.0330 -0.1768 0.0332 0.0410 259 VAL B CA 1816 C C . VAL B 22 ? 1.3537 0.7257 1.0423 -0.1853 0.0605 0.0450 259 VAL B C 1817 O O . VAL B 22 ? 1.8743 1.2097 1.5066 -0.1909 0.0532 0.0578 259 VAL B O 1818 C CB . VAL B 22 ? 1.2117 0.6018 0.9249 -0.1852 0.0161 0.0287 259 VAL B CB 1819 C CG1 . VAL B 22 ? 1.1444 0.5731 0.9026 -0.1777 -0.0179 0.0325 259 VAL B CG1 1820 C CG2 . VAL B 22 ? 1.2951 0.6106 0.8992 -0.2020 0.0108 0.0281 259 VAL B CG2 1821 N N . THR B 23 ? 1.1161 0.4923 0.8171 -0.1851 0.0931 0.0371 260 THR B N 1822 C CA . THR B 23 ? 1.2880 0.6261 0.9371 -0.1915 0.1247 0.0412 260 THR B CA 1823 C C . THR B 23 ? 1.4487 0.7301 1.0257 -0.2031 0.1467 0.0257 260 THR B C 1824 O O . THR B 23 ? 1.5773 0.8710 1.1820 -0.2013 0.1521 0.0095 260 THR B O 1825 C CB . THR B 23 ? 1.3544 0.7386 1.0687 -0.1831 0.1480 0.0432 260 THR B CB 1826 O OG1 . THR B 23 ? 1.3103 0.7577 1.1084 -0.1731 0.1277 0.0426 260 THR B OG1 1827 C CG2 . THR B 23 ? 1.6715 1.0507 1.3794 -0.1833 0.1559 0.0592 260 THR B CG2 1828 N N . CYS B 24 ? 1.6104 0.8284 1.0947 -0.2153 0.1604 0.0315 261 CYS B N 1829 C CA . CYS B 24 ? 1.5170 0.6716 0.9217 -0.2290 0.1876 0.0146 261 CYS B CA 1830 C C . CYS B 24 ? 1.7471 0.8907 1.1346 -0.2280 0.2329 0.0219 261 CYS B C 1831 O O . CYS B 24 ? 2.2716 1.3745 1.5841 -0.2354 0.2446 0.0384 261 CYS B O 1832 C CB . CYS B 24 ? 1.6954 0.8091 1.0045 -0.2387 0.1636 0.0146 261 CYS B CB 1833 S SG . CYS B 24 ? 1.9672 1.0524 1.2004 -0.2450 0.1773 -0.0218 261 CYS B SG 1834 N N . VAL B 25 ? 1.5795 0.7666 1.0387 -0.2172 0.2571 0.0139 262 VAL B N 1835 C CA . VAL B 25 ? 1.7663 0.9503 1.2191 -0.2146 0.2994 0.0197 262 VAL B CA 1836 C C . VAL B 25 ? 1.8371 0.9461 1.1912 -0.2286 0.3350 0.0067 262 VAL B C 1837 O O . VAL B 25 ? 1.6053 0.6931 0.9411 -0.2334 0.3293 -0.0185 262 VAL B O 1838 C CB . VAL B 25 ? 1.6372 0.8872 1.1896 -0.2003 0.3124 0.0145 262 VAL B CB 1839 C CG1 . VAL B 25 ? 1.3186 0.5564 0.8586 -0.1985 0.3590 0.0124 262 VAL B CG1 1840 C CG2 . VAL B 25 ? 1.3518 0.6670 0.9831 -0.1904 0.2864 0.0298 262 VAL B CG2 1841 N N . VAL B 26 ? 1.5620 0.6467 0.8596 -0.2308 0.3657 0.0212 263 VAL B N 1842 C CA . VAL B 26 ? 1.9302 0.9829 1.1504 -0.2325 0.3972 0.0040 263 VAL B CA 1843 C C . VAL B 26 ? 2.2194 1.2718 1.4508 -0.2292 0.4486 0.0145 263 VAL B C 1844 O O . VAL B 26 ? 2.2700 1.3293 1.4759 -0.2244 0.4577 0.0357 263 VAL B O 1845 C CB . VAL B 26 ? 2.0512 1.0853 1.1706 -0.2348 0.3858 0.0128 263 VAL B CB 1846 C CG1 . VAL B 26 ? 1.7091 0.7266 0.7618 -0.2376 0.3770 -0.0226 263 VAL B CG1 1847 C CG2 . VAL B 26 ? 2.4428 1.4866 1.5682 -0.2368 0.3401 0.0361 263 VAL B CG2 1848 N N . VAL B 27 ? 2.1733 1.2392 1.4609 -0.2236 0.4729 -0.0037 264 VAL B N 1849 C CA . VAL B 27 ? 2.1753 1.2641 1.4913 -0.2112 0.5100 -0.0001 264 VAL B CA 1850 C C . VAL B 27 ? 2.6596 1.6996 1.8765 -0.2166 0.5514 -0.0120 264 VAL B C 1851 O O . VAL B 27 ? 2.7829 1.7991 1.9514 -0.2202 0.5422 -0.0419 264 VAL B O 1852 C CB . VAL B 27 ? 2.0050 1.1413 1.4251 -0.1984 0.5170 -0.0110 264 VAL B CB 1853 C CG1 . VAL B 27 ? 1.9340 1.1215 1.4291 -0.1940 0.4725 -0.0070 264 VAL B CG1 1854 C CG2 . VAL B 27 ? 1.8350 0.9333 1.2357 -0.2029 0.5488 -0.0373 264 VAL B CG2 1855 N N . ASP B 28 ? 2.9806 2.0341 2.1887 -0.2067 0.5722 0.0017 265 ASP B N 1856 C CA . ASP B 28 ? 3.1455 2.1731 2.2744 -0.2046 0.6075 -0.0114 265 ASP B CA 1857 C C . ASP B 28 ? 3.2260 2.2279 2.2370 -0.2121 0.5946 -0.0133 265 ASP B C 1858 O O . ASP B 28 ? 3.1699 2.1468 2.1125 -0.2163 0.5957 -0.0508 265 ASP B O 1859 C CB . ASP B 28 ? 3.0493 2.0577 2.1822 -0.2036 0.6379 -0.0467 265 ASP B CB 1860 C CG . ASP B 28 ? 2.8786 1.9199 2.1234 -0.1912 0.6545 -0.0417 265 ASP B CG 1861 O OD1 . ASP B 28 ? 2.8471 1.9109 2.1701 -0.1909 0.6363 -0.0421 265 ASP B OD1 1862 O OD2 . ASP B 28 ? 2.8481 1.8996 2.1055 -0.1798 0.6822 -0.0381 265 ASP B OD2 1863 N N . VAL B 29 ? 3.2772 2.2952 2.2687 -0.2094 0.5787 0.0203 266 VAL B N 1864 C CA . VAL B 29 ? 3.3162 2.3210 2.1904 -0.2114 0.5740 0.0159 266 VAL B CA 1865 C C . VAL B 29 ? 3.2923 2.3228 2.1773 -0.1982 0.6029 0.0397 266 VAL B C 1866 O O . VAL B 29 ? 3.3518 2.4068 2.3302 -0.1908 0.6150 0.0602 266 VAL B O 1867 C CB . VAL B 29 ? 3.2147 2.2174 2.0455 -0.2189 0.5320 0.0349 266 VAL B CB 1868 C CG1 . VAL B 29 ? 3.0825 2.0981 2.0156 -0.2208 0.5087 0.0584 266 VAL B CG1 1869 C CG2 . VAL B 29 ? 3.3150 2.3328 2.0822 -0.2137 0.5284 0.0569 266 VAL B CG2 1870 N N . SER B 30 ? 3.1848 2.2183 1.9837 -0.1938 0.6152 0.0350 267 SER B N 1871 C CA . SER B 30 ? 3.0383 2.0969 1.8500 -0.1814 0.6463 0.0553 267 SER B CA 1872 C C . SER B 30 ? 3.3277 2.4137 2.1160 -0.1772 0.6357 0.0999 267 SER B C 1873 O O . SER B 30 ? 3.4196 2.5059 2.1513 -0.1818 0.6083 0.1095 267 SER B O 1874 C CB . SER B 30 ? 2.9189 1.9710 1.6648 -0.1767 0.6724 0.0197 267 SER B CB 1875 O OG . SER B 30 ? 2.8697 1.9312 1.5167 -0.1777 0.6570 0.0176 267 SER B OG 1876 N N . HIS B 31 ? 3.3841 2.4966 2.2173 -0.1680 0.6570 0.1290 268 HIS B N 1877 C CA . HIS B 31 ? 3.3391 2.4817 2.1573 -0.1637 0.6502 0.1761 268 HIS B CA 1878 C C . HIS B 31 ? 3.2864 2.4395 1.9928 -0.1619 0.6445 0.1776 268 HIS B C 1879 O O . HIS B 31 ? 3.2531 2.4189 1.9321 -0.1638 0.6181 0.2065 268 HIS B O 1880 C CB . HIS B 31 ? 3.4071 2.5799 2.2776 -0.1546 0.6780 0.2051 268 HIS B CB 1881 C CG . HIS B 31 ? 3.4572 2.6362 2.4406 -0.1559 0.6765 0.2121 268 HIS B CG 1882 N ND1 . HIS B 31 ? 3.4871 2.6820 2.5343 -0.1596 0.6530 0.2447 268 HIS B ND1 1883 C CD2 . HIS B 31 ? 3.4476 2.6262 2.4956 -0.1531 0.6940 0.1907 268 HIS B CD2 1884 C CE1 . HIS B 31 ? 3.3713 2.5770 2.5108 -0.1599 0.6546 0.2388 268 HIS B CE1 1885 N NE2 . HIS B 31 ? 3.3038 2.5021 2.4455 -0.1554 0.6791 0.2084 268 HIS B NE2 1886 N N . GLU B 32 ? 3.2799 2.4314 1.9272 -0.1577 0.6676 0.1436 269 GLU B N 1887 C CA . GLU B 32 ? 3.3473 2.5136 1.8861 -0.1560 0.6624 0.1269 269 GLU B CA 1888 C C . GLU B 32 ? 3.5516 2.7170 2.0417 -0.1643 0.6192 0.1325 269 GLU B C 1889 O O . GLU B 32 ? 3.3573 2.5574 1.8031 -0.1605 0.6052 0.1670 269 GLU B O 1890 C CB . GLU B 32 ? 3.2724 2.4146 1.7804 -0.1573 0.6786 0.0649 269 GLU B CB 1891 C CG . GLU B 32 ? 3.1846 2.3436 1.6872 -0.1449 0.7224 0.0528 269 GLU B CG 1892 C CD . GLU B 32 ? 2.9865 2.1510 1.5833 -0.1381 0.7490 0.0843 269 GLU B CD 1893 O OE1 . GLU B 32 ? 2.9672 2.1270 1.6376 -0.1426 0.7346 0.1141 269 GLU B OE1 1894 O OE2 . GLU B 32 ? 2.6903 1.8692 1.2875 -0.1279 0.7827 0.0786 269 GLU B OE2 1895 N N . ASP B 33 ? 3.6597 2.7881 2.1622 -0.1755 0.5982 0.0993 270 ASP B N 1896 C CA . ASP B 33 ? 3.7090 2.8308 2.1730 -0.1851 0.5540 0.0971 270 ASP B CA 1897 C C . ASP B 33 ? 3.6537 2.7491 2.1991 -0.1928 0.5344 0.1110 270 ASP B C 1898 O O . ASP B 33 ? 3.6958 2.7600 2.2733 -0.2003 0.5347 0.0767 270 ASP B O 1899 C CB . ASP B 33 ? 3.7259 2.8322 2.1244 -0.1929 0.5431 0.0358 270 ASP B CB 1900 C CG . ASP B 33 ? 3.8149 2.9591 2.1235 -0.1865 0.5476 0.0217 270 ASP B CG 1901 O OD1 . ASP B 33 ? 3.8100 2.9949 2.0984 -0.1766 0.5542 0.0664 270 ASP B OD1 1902 O OD2 . ASP B 33 ? 3.9033 3.0409 2.1669 -0.1914 0.5432 -0.0339 270 ASP B OD2 1903 N N . PRO B 34 ? 3.5589 2.6713 2.1432 -0.1901 0.5177 0.1615 271 PRO B N 1904 C CA . PRO B 34 ? 3.5095 2.6076 2.1878 -0.1943 0.5028 0.1777 271 PRO B CA 1905 C C . PRO B 34 ? 3.5573 2.6387 2.2268 -0.2040 0.4597 0.1724 271 PRO B C 1906 O O . PRO B 34 ? 3.4051 2.4702 2.1428 -0.2095 0.4464 0.1673 271 PRO B O 1907 C CB . PRO B 34 ? 3.4987 2.6285 2.2270 -0.1856 0.5072 0.2325 271 PRO B CB 1908 C CG . PRO B 34 ? 3.5047 2.6652 2.1489 -0.1787 0.5105 0.2541 271 PRO B CG 1909 C CD . PRO B 34 ? 3.4791 2.6327 2.0382 -0.1800 0.5230 0.2073 271 PRO B CD 1910 N N . GLU B 35 ? 3.6220 2.7146 2.2061 -0.2053 0.4362 0.1729 272 GLU B N 1911 C CA . GLU B 35 ? 3.6307 2.7239 2.2005 -0.2106 0.3902 0.1862 272 GLU B CA 1912 C C . GLU B 35 ? 3.4298 2.4909 1.9884 -0.2240 0.3658 0.1430 272 GLU B C 1913 O O . GLU B 35 ? 3.5052 2.5548 2.0099 -0.2296 0.3736 0.0965 272 GLU B O 1914 C CB . GLU B 35 ? 3.9026 3.0325 2.3838 -0.2057 0.3752 0.2016 272 GLU B CB 1915 C CG . GLU B 35 ? 4.3100 3.4481 2.7483 -0.2122 0.3228 0.2009 272 GLU B CG 1916 C CD . GLU B 35 ? 4.3589 3.5340 2.8082 -0.2027 0.3018 0.2596 272 GLU B CD 1917 O OE1 . GLU B 35 ? 4.3233 3.5065 2.8383 -0.1937 0.3227 0.3015 272 GLU B OE1 1918 O OE2 . GLU B 35 ? 4.5022 3.6975 2.9010 -0.2057 0.2641 0.2569 272 GLU B OE2 1919 N N . VAL B 36 ? 3.4230 2.4738 2.0360 -0.2283 0.3351 0.1574 273 VAL B N 1920 C CA . VAL B 36 ? 3.1778 2.2196 1.8195 -0.2361 0.3015 0.1181 273 VAL B CA 1921 C C . VAL B 36 ? 2.9172 1.9705 1.5766 -0.2377 0.2489 0.1365 273 VAL B C 1922 O O . VAL B 36 ? 3.1836 2.2382 1.9002 -0.2336 0.2422 0.1746 273 VAL B O 1923 C CB . VAL B 36 ? 2.6169 1.6455 1.3594 -0.2366 0.3192 0.0995 273 VAL B CB 1924 C CG1 . VAL B 36 ? 2.6091 1.6288 1.3524 -0.2415 0.3185 0.0429 273 VAL B CG1 1925 C CG2 . VAL B 36 ? 2.6282 1.6507 1.3958 -0.2317 0.3721 0.1182 273 VAL B CG2 1926 N N . LYS B 37 ? 2.4169 1.4788 1.0329 -0.2439 0.2121 0.1079 274 LYS B N 1927 C CA . LYS B 37 ? 2.6016 1.6771 1.2370 -0.2452 0.1608 0.1241 274 LYS B CA 1928 C C . LYS B 37 ? 2.6543 1.7251 1.3570 -0.2505 0.1338 0.0894 274 LYS B C 1929 O O . LYS B 37 ? 2.5867 1.6516 1.2733 -0.2577 0.1326 0.0428 274 LYS B O 1930 C CB . LYS B 37 ? 2.6614 1.7600 1.2017 -0.2484 0.1310 0.1289 274 LYS B CB 1931 C CG . LYS B 37 ? 2.6136 1.7277 1.1725 -0.2518 0.0752 0.1327 274 LYS B CG 1932 C CD . LYS B 37 ? 2.7342 1.8754 1.1962 -0.2580 0.0461 0.1251 274 LYS B CD 1933 C CE . LYS B 37 ? 2.6708 1.8066 1.0706 -0.2676 0.0630 0.0672 274 LYS B CE 1934 N NZ . LYS B 37 ? 2.4901 1.6276 0.8949 -0.2804 0.0261 0.0185 274 LYS B NZ 1935 N N . PHE B 38 ? 2.6285 1.3767 1.4319 -0.3311 0.1649 0.0602 275 PHE B N 1936 C CA . PHE B 38 ? 2.4323 1.2137 1.2991 -0.3167 0.1495 0.0480 275 PHE B CA 1937 C C . PHE B 38 ? 2.4952 1.2929 1.3570 -0.3359 0.0894 0.0584 275 PHE B C 1938 O O . PHE B 38 ? 2.7451 1.5960 1.6705 -0.3300 0.0526 0.0787 275 PHE B O 1939 C CB . PHE B 38 ? 2.2789 1.1306 1.2703 -0.2826 0.1592 0.0511 275 PHE B CB 1940 C CG . PHE B 38 ? 2.5430 1.3921 1.5534 -0.2613 0.2182 0.0399 275 PHE B CG 1941 C CD1 . PHE B 38 ? 2.9419 1.7279 1.8665 -0.2672 0.2614 0.0252 275 PHE B CD1 1942 C CD2 . PHE B 38 ? 2.6271 1.5383 1.7404 -0.2354 0.2308 0.0449 275 PHE B CD2 1943 C CE1 . PHE B 38 ? 3.1831 1.9736 2.1294 -0.2448 0.3168 0.0178 275 PHE B CE1 1944 C CE2 . PHE B 38 ? 2.8102 1.7291 1.9468 -0.2162 0.2835 0.0372 275 PHE B CE2 1945 C CZ . PHE B 38 ? 3.1300 1.9911 2.1853 -0.2196 0.3269 0.0247 275 PHE B CZ 1946 N N . ASN B 39 ? 2.5965 1.3476 1.3804 -0.3595 0.0802 0.0451 276 ASN B N 1947 C CA . ASN B 39 ? 2.5713 1.3435 1.3542 -0.3789 0.0247 0.0536 276 ASN B CA 1948 C C . ASN B 39 ? 2.5417 1.3504 1.4003 -0.3601 0.0190 0.0406 276 ASN B C 1949 O O . ASN B 39 ? 2.4352 1.2052 1.2653 -0.3587 0.0473 0.0170 276 ASN B O 1950 C CB . ASN B 39 ? 2.7097 1.4152 1.3656 -0.4206 0.0121 0.0481 276 ASN B CB 1951 C CG . ASN B 39 ? 2.7849 1.4608 1.3666 -0.4408 0.0099 0.0645 276 ASN B CG 1952 O OD1 . ASN B 39 ? 2.6774 1.2825 1.1481 -0.4663 0.0286 0.0535 276 ASN B OD1 1953 N ND2 . ASN B 39 ? 2.8165 1.5431 1.4552 -0.4298 -0.0122 0.0914 276 ASN B ND2 1954 N N . TRP B 40 ? 2.4042 1.2858 1.3588 -0.3438 -0.0156 0.0567 277 TRP B N 1955 C CA . TRP B 40 ? 2.1407 1.0651 1.1747 -0.3246 -0.0239 0.0475 277 TRP B CA 1956 C C . TRP B 40 ? 2.1997 1.1278 1.2036 -0.3517 -0.0709 0.0518 277 TRP B C 1957 O O . TRP B 40 ? 2.4896 1.4242 1.4571 -0.3751 -0.1097 0.0719 277 TRP B O 1958 C CB . TRP B 40 ? 1.9853 0.9858 1.1381 -0.2920 -0.0339 0.0615 277 TRP B CB 1959 C CG . TRP B 40 ? 2.1311 1.1342 1.3231 -0.2659 0.0148 0.0535 277 TRP B CG 1960 C CD1 . TRP B 40 ? 2.2653 1.2521 1.4357 -0.2663 0.0372 0.0620 277 TRP B CD1 1961 C CD2 . TRP B 40 ? 1.8696 0.8952 1.1277 -0.2370 0.0480 0.0366 277 TRP B CD2 1962 N NE1 . TRP B 40 ? 1.9126 0.9137 1.1339 -0.2407 0.0817 0.0516 277 TRP B NE1 1963 C CE2 . TRP B 40 ? 1.6840 0.7104 0.9599 -0.2217 0.0887 0.0364 277 TRP B CE2 1964 C CE3 . TRP B 40 ? 1.6616 0.7137 0.9685 -0.2217 0.0467 0.0230 277 TRP B CE3 1965 C CZ2 . TRP B 40 ? 1.9254 0.9785 1.2653 -0.1929 0.1267 0.0242 277 TRP B CZ2 1966 C CZ3 . TRP B 40 ? 1.6467 0.7254 1.0167 -0.1909 0.0847 0.0106 277 TRP B CZ3 1967 C CH2 . TRP B 40 ? 1.9547 1.0314 1.3396 -0.1776 0.1241 0.0117 277 TRP B CH2 1968 N N . TYR B 41 ? 1.9881 0.9125 1.0048 -0.3494 -0.0667 0.0340 278 TYR B N 1969 C CA . TYR B 41 ? 1.9406 0.8710 0.9303 -0.3767 -0.1086 0.0362 278 TYR B CA 1970 C C . TYR B 41 ? 1.8626 0.8586 0.9543 -0.3485 -0.1161 0.0318 278 TYR B C 1971 O O . TYR B 41 ? 1.8363 0.8405 0.9729 -0.3176 -0.0765 0.0142 278 TYR B O 1972 C CB . TYR B 41 ? 2.2749 1.1348 1.1546 -0.4042 -0.0898 0.0156 278 TYR B CB 1973 C CG . TYR B 41 ? 2.5545 1.3417 1.3201 -0.4358 -0.0812 0.0173 278 TYR B CG 1974 C CD1 . TYR B 41 ? 2.6380 1.3930 1.3896 -0.4199 -0.0381 0.0139 278 TYR B CD1 1975 C CD2 . TYR B 41 ? 2.5229 1.2762 1.1936 -0.4823 -0.1149 0.0229 278 TYR B CD2 1976 C CE1 . TYR B 41 ? 2.5967 1.2930 1.2466 -0.4452 -0.0279 0.0159 278 TYR B CE1 1977 C CE2 . TYR B 41 ? 2.7447 1.4333 1.3085 -0.5111 -0.1067 0.0238 278 TYR B CE2 1978 C CZ . TYR B 41 ? 2.8471 1.5103 1.4031 -0.4898 -0.0622 0.0206 278 TYR B CZ 1979 O OH . TYR B 41 ? 2.9557 1.5628 1.4092 -0.5145 -0.0520 0.0229 278 TYR B OH 1980 N N . VAL B 42 ? 1.7664 0.8110 0.8952 -0.3590 -0.1668 0.0496 279 VAL B N 1981 C CA . VAL B 42 ? 1.6735 0.7816 0.8959 -0.3349 -0.1777 0.0476 279 VAL B CA 1982 C C . VAL B 42 ? 2.0175 1.1351 1.2103 -0.3631 -0.2123 0.0497 279 VAL B C 1983 O O . VAL B 42 ? 1.9650 1.1012 1.1386 -0.3906 -0.2599 0.0715 279 VAL B O 1984 C CB . VAL B 42 ? 1.4556 0.6335 0.7752 -0.3113 -0.2050 0.0703 279 VAL B CB 1985 C CG1 . VAL B 42 ? 1.5459 0.7837 0.9511 -0.2921 -0.2205 0.0689 279 VAL B CG1 1986 C CG2 . VAL B 42 ? 1.4495 0.6304 0.8099 -0.2802 -0.1687 0.0684 279 VAL B CG2 1987 N N . ASP B 43 ? 1.9041 1.0132 1.0964 -0.3554 -0.1879 0.0297 280 ASP B N 1988 C CA . ASP B 43 ? 1.7389 0.8444 0.8880 -0.3840 -0.2096 0.0302 280 ASP B CA 1989 C C . ASP B 43 ? 2.0369 1.0857 1.0714 -0.4274 -0.2205 0.0357 280 ASP B C 1990 O O . ASP B 43 ? 2.3084 1.3688 1.3113 -0.4588 -0.2541 0.0501 280 ASP B O 1991 C CB . ASP B 43 ? 1.5718 0.7546 0.7919 -0.3851 -0.2587 0.0520 280 ASP B CB 1992 C CG . ASP B 43 ? 1.9591 1.1858 1.2642 -0.3542 -0.2468 0.0421 280 ASP B CG 1993 O OD1 . ASP B 43 ? 2.0809 1.2755 1.3802 -0.3375 -0.2032 0.0188 280 ASP B OD1 1994 O OD2 . ASP B 43 ? 2.0897 1.3848 1.4674 -0.3459 -0.2807 0.0593 280 ASP B OD2 1995 N N . GLY B 44 ? 2.1565 1.1474 1.1325 -0.4288 -0.1903 0.0264 281 GLY B N 1996 C CA . GLY B 44 ? 2.3389 1.2708 1.2018 -0.4693 -0.1966 0.0309 281 GLY B CA 1997 C C . GLY B 44 ? 2.4202 1.3672 1.2739 -0.4865 -0.2342 0.0551 281 GLY B C 1998 O O . GLY B 44 ? 2.8010 1.6928 1.5740 -0.5058 -0.2238 0.0547 281 GLY B O 1999 N N . VAL B 45 ? 2.3529 1.3742 1.2875 -0.4788 -0.2775 0.0773 282 VAL B N 2000 C CA . VAL B 45 ? 2.4384 1.4874 1.3745 -0.4869 -0.3131 0.1043 282 VAL B CA 2001 C C . VAL B 45 ? 2.4164 1.4541 1.3769 -0.4538 -0.2759 0.1043 282 VAL B C 2002 O O . VAL B 45 ? 2.5622 1.6284 1.6092 -0.4139 -0.2519 0.0982 282 VAL B O 2003 C CB . VAL B 45 ? 1.8038 0.9511 0.8260 -0.4779 -0.3663 0.1352 282 VAL B CB 2004 C CG1 . VAL B 45 ? 1.6024 0.7948 0.6871 -0.4715 -0.3720 0.1329 282 VAL B CG1 2005 C CG2 . VAL B 45 ? 1.6876 0.8914 0.7976 -0.4359 -0.3687 0.1566 282 VAL B CG2 2006 N N . GLU B 46 ? 2.2072 1.2011 1.0865 -0.4732 -0.2702 0.1104 283 GLU B N 2007 C CA . GLU B 46 ? 2.2834 1.2608 1.1732 -0.4481 -0.2345 0.1113 283 GLU B CA 2008 C C . GLU B 46 ? 2.3074 1.3607 1.3034 -0.4131 -0.2529 0.1360 283 GLU B C 2009 O O . GLU B 46 ? 2.1517 1.2553 1.1688 -0.4186 -0.2989 0.1631 283 GLU B O 2010 C CB . GLU B 46 ? 2.3231 1.2464 1.1049 -0.4783 -0.2328 0.1185 283 GLU B CB 2011 C CG . GLU B 46 ? 2.3396 1.2369 1.1197 -0.4571 -0.1912 0.1178 283 GLU B CG 2012 C CD . GLU B 46 ? 2.4857 1.3135 1.1443 -0.4889 -0.1789 0.1167 283 GLU B CD 2013 O OE1 . GLU B 46 ? 2.4467 1.2369 1.0163 -0.5281 -0.1968 0.1104 283 GLU B OE1 2014 O OE2 . GLU B 46 ? 2.2671 1.0777 0.9175 -0.4765 -0.1515 0.1221 283 GLU B OE2 2015 N N . VAL B 47 ? 2.3983 1.4607 1.4611 -0.3770 -0.2165 0.1266 284 VAL B N 2016 C CA . VAL B 47 ? 2.1504 1.2733 1.3066 -0.3446 -0.2281 0.1469 284 VAL B CA 2017 C C . VAL B 47 ? 2.4736 1.5691 1.6073 -0.3382 -0.2027 0.1546 284 VAL B C 2018 O O . VAL B 47 ? 2.3636 1.4008 1.4337 -0.3485 -0.1646 0.1383 284 VAL B O 2019 C CB . VAL B 47 ? 2.0320 1.1948 1.2896 -0.3093 -0.2102 0.1330 284 VAL B CB 2020 C CG1 . VAL B 47 ? 1.9237 1.1469 1.2405 -0.3047 -0.2513 0.1423 284 VAL B CG1 2021 C CG2 . VAL B 47 ? 2.0676 1.1839 1.3005 -0.3081 -0.1637 0.1013 284 VAL B CG2 2022 N N . HIS B 48 ? 2.9185 2.0545 2.1038 -0.3205 -0.2224 0.1799 285 HIS B N 2023 C CA . HIS B 48 ? 2.8207 1.9308 1.9772 -0.3196 -0.2066 0.1934 285 HIS B CA 2024 C C . HIS B 48 ? 2.7269 1.8687 1.9719 -0.2853 -0.1909 0.1985 285 HIS B C 2025 O O . HIS B 48 ? 2.6620 1.7877 1.8948 -0.2823 -0.1777 0.2102 285 HIS B O 2026 C CB . HIS B 48 ? 2.9264 2.0405 2.0315 -0.3392 -0.2477 0.2239 285 HIS B CB 2027 C CG . HIS B 48 ? 2.9879 2.0739 2.0026 -0.3774 -0.2661 0.2193 285 HIS B CG 2028 N ND1 . HIS B 48 ? 3.1358 2.1654 2.0532 -0.4041 -0.2494 0.2125 285 HIS B ND1 2029 C CD2 . HIS B 48 ? 3.0356 2.1429 2.0432 -0.3948 -0.2983 0.2180 285 HIS B CD2 2030 C CE1 . HIS B 48 ? 3.0886 2.1049 1.9434 -0.4367 -0.2710 0.2058 285 HIS B CE1 2031 N NE2 . HIS B 48 ? 2.9622 2.0262 1.8711 -0.4328 -0.3011 0.2091 285 HIS B NE2 2032 N N . ASN B 49 ? 2.3581 1.5456 1.6909 -0.2609 -0.1923 0.1888 286 ASN B N 2033 C CA . ASN B 49 ? 1.9893 1.2063 1.4072 -0.2302 -0.1750 0.1887 286 ASN B CA 2034 C C . ASN B 49 ? 1.8086 1.0042 1.2358 -0.2231 -0.1232 0.1627 286 ASN B C 2035 O O . ASN B 49 ? 1.5917 0.8213 1.0979 -0.1992 -0.1075 0.1521 286 ASN B O 2036 C CB . ASN B 49 ? 1.8192 1.0980 1.3260 -0.2069 -0.2014 0.1917 286 ASN B CB 2037 C CG . ASN B 49 ? 2.0727 1.3665 1.5650 -0.2200 -0.2283 0.1872 286 ASN B CG 2038 O OD1 . ASN B 49 ? 2.2145 1.4931 1.6405 -0.2455 -0.2544 0.1998 286 ASN B OD1 2039 N ND2 . ASN B 49 ? 2.0578 1.3821 1.6102 -0.2046 -0.2222 0.1696 286 ASN B ND2 2040 N N . ALA B 50 ? 1.9546 1.0952 1.2989 -0.2441 -0.0969 0.1537 287 ALA B N 2041 C CA . ALA B 50 ? 2.1187 1.2353 1.4594 -0.2382 -0.0447 0.1329 287 ALA B CA 2042 C C . ALA B 50 ? 2.0321 1.1712 1.4330 -0.2202 -0.0267 0.1408 287 ALA B C 2043 O O . ALA B 50 ? 2.1864 1.3364 1.5958 -0.2195 -0.0482 0.1621 287 ALA B O 2044 C CB . ALA B 50 ? 2.1941 1.2447 1.4269 -0.2642 -0.0225 0.1282 287 ALA B CB 2045 N N . LYS B 51 ? 1.9904 1.1418 1.4354 -0.2047 0.0129 0.1237 288 LYS B N 2046 C CA . LYS B 51 ? 1.9636 1.1317 1.4552 -0.1939 0.0350 0.1297 288 LYS B CA 2047 C C . LYS B 51 ? 1.9660 1.1094 1.4299 -0.1963 0.0879 0.1157 288 LYS B C 2048 O O . LYS B 51 ? 2.0951 1.2701 1.6188 -0.1792 0.1168 0.1033 288 LYS B O 2049 C CB . LYS B 51 ? 1.9605 1.1891 1.5573 -0.1691 0.0252 0.1272 288 LYS B CB 2050 C CG . LYS B 51 ? 1.8879 1.1385 1.5357 -0.1610 0.0426 0.1336 288 LYS B CG 2051 C CD . LYS B 51 ? 1.5995 0.8244 1.2028 -0.1745 0.0334 0.1541 288 LYS B CD 2052 C CE . LYS B 51 ? 1.6551 0.8957 1.3021 -0.1706 0.0560 0.1582 288 LYS B CE 2053 N NZ . LYS B 51 ? 1.4553 0.6763 1.0715 -0.1797 0.0436 0.1791 288 LYS B NZ 2054 N N . THR B 52 ? 1.7726 0.8616 1.1441 -0.2173 0.1006 0.1187 289 THR B N 2055 C CA . THR B 52 ? 2.0535 1.1155 1.3898 -0.2198 0.1522 0.1088 289 THR B CA 2056 C C . THR B 52 ? 2.3371 1.4254 1.7253 -0.2135 0.1726 0.1191 289 THR B C 2057 O O . THR B 52 ? 2.4745 1.5524 1.8406 -0.2248 0.1615 0.1365 289 THR B O 2058 C CB . THR B 52 ? 1.9530 0.9491 1.1750 -0.2453 0.1587 0.1131 289 THR B CB 2059 O OG1 . THR B 52 ? 1.7939 0.7625 0.9610 -0.2566 0.1369 0.1039 289 THR B OG1 2060 C CG2 . THR B 52 ? 1.6152 0.5845 0.8013 -0.2450 0.2154 0.1029 289 THR B CG2 2061 N N . LYS B 53 ? 2.2313 1.3627 1.6928 -0.1945 0.2003 0.1078 290 LYS B N 2062 C CA . LYS B 53 ? 2.0306 1.1924 1.5456 -0.1914 0.2202 0.1162 290 LYS B CA 2063 C C . LYS B 53 ? 2.1437 1.2829 1.6152 -0.1981 0.2710 0.1137 290 LYS B C 2064 O O . LYS B 53 ? 1.7775 0.8911 1.2023 -0.1954 0.2960 0.1001 290 LYS B O 2065 C CB . LYS B 53 ? 1.7880 1.0153 1.4072 -0.1694 0.2211 0.1072 290 LYS B CB 2066 C CG . LYS B 53 ? 1.5381 0.7933 1.1882 -0.1546 0.2667 0.0920 290 LYS B CG 2067 C CD . LYS B 53 ? 1.8575 1.1795 1.6090 -0.1341 0.2584 0.0851 290 LYS B CD 2068 C CE . LYS B 53 ? 1.8244 1.1519 1.5924 -0.1265 0.2132 0.0817 290 LYS B CE 2069 N NZ . LYS B 53 ? 1.3464 0.7302 1.2052 -0.1134 0.1901 0.0830 290 LYS B NZ 2070 N N . PRO B 54 ? 2.2945 1.4399 1.7772 -0.2074 0.2876 0.1272 291 PRO B N 2071 C CA . PRO B 54 ? 2.3154 1.4430 1.7571 -0.2147 0.3371 0.1278 291 PRO B CA 2072 C C . PRO B 54 ? 2.3177 1.4910 1.8151 -0.1923 0.3757 0.1111 291 PRO B C 2073 O O . PRO B 54 ? 2.2569 1.4772 1.8309 -0.1793 0.3570 0.1071 291 PRO B O 2074 C CB . PRO B 54 ? 2.1684 1.3159 1.6378 -0.2258 0.3343 0.1445 291 PRO B CB 2075 C CG . PRO B 54 ? 2.0637 1.2528 1.6138 -0.2175 0.2977 0.1474 291 PRO B CG 2076 C CD . PRO B 54 ? 2.1211 1.2980 1.6610 -0.2090 0.2608 0.1409 291 PRO B CD 2077 N N . ARG B 55 ? 2.1974 1.3691 1.6752 -0.1833 0.4242 0.1024 292 ARG B N 2078 C CA . ARG B 55 ? 2.1339 1.2802 1.5564 -0.1914 0.4697 0.1073 292 ARG B CA 2079 C C . ARG B 55 ? 1.8558 1.0698 1.3562 -0.1804 0.5091 0.1111 292 ARG B C 2080 O O . ARG B 55 ? 2.2224 1.4683 1.7686 -0.1926 0.5019 0.1245 292 ARG B O 2081 C CB . ARG B 55 ? 2.3702 1.4678 1.7227 -0.2181 0.4536 0.1230 292 ARG B CB 2082 C CG . ARG B 55 ? 2.2462 1.2770 1.5047 -0.2281 0.4296 0.1178 292 ARG B CG 2083 C CD . ARG B 55 ? 2.0432 1.0339 1.2219 -0.2324 0.4691 0.1131 292 ARG B CD 2084 N NE . ARG B 55 ? 2.1490 1.1820 1.3725 -0.2192 0.5186 0.1129 292 ARG B NE 2085 C CZ . ARG B 55 ? 2.0523 1.0852 1.2689 -0.1996 0.5596 0.0988 292 ARG B CZ 2086 N NH1 . ARG B 55 ? 2.3012 1.2852 1.4621 -0.1961 0.5538 0.0846 292 ARG B NH1 2087 N NH2 . ARG B 55 ? 2.2125 1.2938 1.4761 -0.1836 0.6024 0.0991 292 ARG B NH2 2088 N N . GLU B 56 ? 1.5700 0.8073 1.0868 -0.1576 0.5495 0.1000 293 GLU B N 2089 C CA . GLU B 56 ? 1.9551 1.2669 1.5506 -0.1456 0.5863 0.1053 293 GLU B CA 2090 C C . GLU B 56 ? 2.2585 1.5783 1.8344 -0.1233 0.6373 0.0979 293 GLU B C 2091 O O . GLU B 56 ? 2.5658 1.8730 2.1303 -0.1002 0.6517 0.0842 293 GLU B O 2092 C CB . GLU B 56 ? 1.6139 0.9966 1.3143 -0.1297 0.5637 0.1000 293 GLU B CB 2093 C CG . GLU B 56 ? 1.8100 1.2794 1.5978 -0.1199 0.5968 0.1067 293 GLU B CG 2094 C CD . GLU B 56 ? 2.1107 1.6333 1.9593 -0.0860 0.6108 0.0950 293 GLU B CD 2095 O OE1 . GLU B 56 ? 2.5128 1.9951 2.3241 -0.0697 0.6085 0.0818 293 GLU B OE1 2096 O OE2 . GLU B 56 ? 1.6523 1.2593 1.5853 -0.0747 0.6137 0.0972 293 GLU B OE2 2097 N N . GLU B 57 ? 2.2434 1.5872 1.8203 -0.1285 0.6592 0.1067 294 GLU B N 2098 C CA . GLU B 57 ? 2.2020 1.5644 1.7724 -0.1060 0.7002 0.1027 294 GLU B CA 2099 C C . GLU B 57 ? 2.0588 1.4929 1.7139 -0.0729 0.7117 0.0966 294 GLU B C 2100 O O . GLU B 57 ? 2.1597 1.6261 1.8739 -0.0677 0.6904 0.0934 294 GLU B O 2101 C CB . GLU B 57 ? 2.4746 1.8703 2.0554 -0.1208 0.7142 0.1181 294 GLU B CB 2102 C CG . GLU B 57 ? 2.6027 1.9631 2.1484 -0.1571 0.6878 0.1305 294 GLU B CG 2103 C CD . GLU B 57 ? 2.4616 1.8910 2.0871 -0.1733 0.6756 0.1453 294 GLU B CD 2104 O OE1 . GLU B 57 ? 2.2351 1.6609 1.8851 -0.1894 0.6401 0.1490 294 GLU B OE1 2105 O OE2 . GLU B 57 ? 2.4315 1.9172 2.0929 -0.1709 0.6994 0.1534 294 GLU B OE2 2106 N N . GLN B 58 ? 1.8839 1.3453 1.5466 -0.0500 0.7422 0.0965 295 GLN B N 2107 C CA . GLN B 58 ? 1.8384 1.3686 1.5778 -0.0173 0.7475 0.0937 295 GLN B CA 2108 C C . GLN B 58 ? 2.0167 1.5928 1.7720 -0.0004 0.7769 0.1023 295 GLN B C 2109 O O . GLN B 58 ? 2.0384 1.5994 1.7536 -0.0152 0.7942 0.1105 295 GLN B O 2110 C CB . GLN B 58 ? 1.6858 1.1664 1.3960 0.0047 0.7447 0.0772 295 GLN B CB 2111 C CG . GLN B 58 ? 1.8626 1.4103 1.6556 0.0356 0.7366 0.0750 295 GLN B CG 2112 C CD . GLN B 58 ? 1.8295 1.4083 1.6820 0.0307 0.7033 0.0717 295 GLN B CD 2113 O OE1 . GLN B 58 ? 1.5578 1.0850 1.3737 0.0110 0.6883 0.0662 295 GLN B OE1 2114 N NE2 . GLN B 58 ? 1.7889 1.4533 1.7309 0.0478 0.6894 0.0759 295 GLN B NE2 2115 N N . TYR B 59 ? 2.2973 1.9318 2.1115 0.0297 0.7802 0.1022 296 TYR B N 2116 C CA . TYR B 59 ? 2.5087 2.1912 2.3406 0.0495 0.8061 0.1113 296 TYR B CA 2117 C C . TYR B 59 ? 2.4001 2.0283 2.1825 0.0801 0.8263 0.1020 296 TYR B C 2118 O O . TYR B 59 ? 1.8851 1.5592 1.7106 0.1081 0.8295 0.1044 296 TYR B O 2119 C CB . TYR B 59 ? 2.5141 2.3125 2.4485 0.0566 0.7926 0.1219 296 TYR B CB 2120 C CG . TYR B 59 ? 2.4160 2.2484 2.4117 0.0533 0.7560 0.1168 296 TYR B CG 2121 C CD1 . TYR B 59 ? 2.4978 2.3647 2.5367 0.0801 0.7427 0.1122 296 TYR B CD1 2122 C CD2 . TYR B 59 ? 2.1849 2.0142 2.1938 0.0227 0.7338 0.1176 296 TYR B CD2 2123 C CE1 . TYR B 59 ? 2.3899 2.2885 2.4827 0.0772 0.7081 0.1075 296 TYR B CE1 2124 C CE2 . TYR B 59 ? 1.9701 1.8294 2.0346 0.0207 0.7010 0.1127 296 TYR B CE2 2125 C CZ . TYR B 59 ? 2.0121 1.9074 2.1186 0.0484 0.6882 0.1071 296 TYR B CZ 2126 O OH . TYR B 59 ? 1.6306 1.5567 1.7904 0.0473 0.6542 0.1020 296 TYR B OH 2127 N N . ASN B 60 ? 2.7889 2.3151 2.4760 0.0716 0.8366 0.0914 297 ASN B N 2128 C CA . ASN B 60 ? 2.7525 2.2091 2.3701 0.0928 0.8610 0.0830 297 ASN B CA 2129 C C . ASN B 60 ? 2.4924 1.8547 2.0026 0.0712 0.8756 0.0767 297 ASN B C 2130 O O . ASN B 60 ? 2.3819 1.6777 1.8220 0.0835 0.8976 0.0695 297 ASN B O 2131 C CB . ASN B 60 ? 2.4751 1.8976 2.0906 0.1114 0.8473 0.0706 297 ASN B CB 2132 C CG . ASN B 60 ? 2.6934 2.0676 2.2845 0.0891 0.8187 0.0587 297 ASN B CG 2133 O OD1 . ASN B 60 ? 2.4805 1.8348 2.0441 0.0598 0.8102 0.0592 297 ASN B OD1 2134 N ND2 . ASN B 60 ? 3.1474 2.4998 2.7432 0.1019 0.8035 0.0491 297 ASN B ND2 2135 N N . SER B 61 ? 2.5661 1.9255 2.0649 0.0382 0.8616 0.0809 298 SER B N 2136 C CA . SER B 61 ? 2.4051 1.6918 1.8108 0.0106 0.8680 0.0797 298 SER B CA 2137 C C . SER B 61 ? 2.2835 1.4625 1.5901 -0.0082 0.8516 0.0633 298 SER B C 2138 O O . SER B 61 ? 2.1560 1.2646 1.3715 -0.0234 0.8606 0.0595 298 SER B O 2139 C CB . SER B 61 ? 2.3166 1.6013 1.6887 0.0189 0.9037 0.0872 298 SER B CB 2140 O OG . SER B 61 ? 2.4005 1.7245 1.8116 0.0548 0.9260 0.0894 298 SER B OG 2141 N N . THR B 62 ? 2.5028 1.6770 1.8310 -0.0098 0.8247 0.0552 299 THR B N 2142 C CA . THR B 62 ? 2.8314 1.9208 2.0832 -0.0258 0.8030 0.0402 299 THR B CA 2143 C C . THR B 62 ? 2.9343 2.0575 2.2349 -0.0446 0.7678 0.0454 299 THR B C 2144 O O . THR B 62 ? 2.5732 1.7795 1.9718 -0.0336 0.7642 0.0541 299 THR B O 2145 C CB . THR B 62 ? 2.7112 1.7786 1.9654 0.0011 0.8069 0.0266 299 THR B CB 2146 O OG1 . THR B 62 ? 2.7294 1.8610 2.0739 0.0113 0.7865 0.0285 299 THR B OG1 2147 C CG2 . THR B 62 ? 2.5176 1.6031 1.7877 0.0334 0.8412 0.0297 299 THR B CG2 2148 N N . TYR B 63 ? 3.2305 2.2922 2.4644 -0.0730 0.7395 0.0417 300 TYR B N 2149 C CA . TYR B 63 ? 3.2773 2.3651 2.5525 -0.0923 0.7032 0.0505 300 TYR B CA 2150 C C . TYR B 63 ? 3.1257 2.2127 2.4249 -0.0798 0.6891 0.0399 300 TYR B C 2151 O O . TYR B 63 ? 3.1056 2.1670 2.3842 -0.0577 0.7058 0.0249 300 TYR B O 2152 C CB . TYR B 63 ? 3.8090 2.8373 3.0083 -0.1298 0.6684 0.0573 300 TYR B CB 2153 C CG . TYR B 63 ? 3.8937 2.8447 2.9794 -0.1466 0.6741 0.0528 300 TYR B CG 2154 C CD1 . TYR B 63 ? 4.0554 2.9835 3.1019 -0.1298 0.7146 0.0434 300 TYR B CD1 2155 C CD2 . TYR B 63 ? 3.8055 2.7129 2.8309 -0.1804 0.6335 0.0615 300 TYR B CD2 2156 C CE1 . TYR B 63 ? 4.1931 3.0614 3.1508 -0.1467 0.7166 0.0414 300 TYR B CE1 2157 C CE2 . TYR B 63 ? 3.9428 2.7876 2.8696 -0.1980 0.6346 0.0593 300 TYR B CE2 2158 C CZ . TYR B 63 ? 4.1683 2.9912 3.0602 -0.1810 0.6780 0.0473 300 TYR B CZ 2159 O OH . TYR B 63 ? 4.2852 3.0506 3.0883 -0.1924 0.6889 0.0429 300 TYR B OH 2160 N N . ARG B 64 ? 2.7430 1.8410 2.0691 -0.0997 0.6479 0.0482 301 ARG B N 2161 C CA . ARG B 64 ? 2.1940 1.3053 1.5613 -0.0917 0.6091 0.0380 301 ARG B CA 2162 C C . ARG B 64 ? 2.0850 1.1966 1.4633 -0.1170 0.5489 0.0462 301 ARG B C 2163 O O . ARG B 64 ? 2.2767 1.4464 1.7320 -0.1204 0.5308 0.0579 301 ARG B O 2164 C CB . ARG B 64 ? 2.1020 1.2993 1.5796 -0.0641 0.6252 0.0394 301 ARG B CB 2165 C CG . ARG B 64 ? 1.8887 1.1100 1.4196 -0.0519 0.5908 0.0298 301 ARG B CG 2166 C CD . ARG B 64 ? 2.0628 1.3741 1.7010 -0.0283 0.6086 0.0348 301 ARG B CD 2167 N NE . ARG B 64 ? 2.2665 1.6347 1.9898 -0.0314 0.5635 0.0379 301 ARG B NE 2168 C CZ . ARG B 64 ? 2.3738 1.7437 2.1066 -0.0562 0.5225 0.0466 301 ARG B CZ 2169 N NH1 . ARG B 64 ? 2.0424 1.3626 1.7070 -0.0819 0.5172 0.0548 301 ARG B NH1 2170 N NH2 . ARG B 64 ? 2.8928 2.3136 2.7035 -0.0537 0.4864 0.0477 301 ARG B NH2 2171 N N . VAL B 65 ? 1.9858 1.0316 1.2843 -0.1351 0.5186 0.0406 302 VAL B N 2172 C CA . VAL B 65 ? 2.0424 1.0883 1.3482 -0.1555 0.4605 0.0495 302 VAL B CA 2173 C C . VAL B 65 ? 2.1102 1.1726 1.4558 -0.1452 0.4245 0.0388 302 VAL B C 2174 O O . VAL B 65 ? 1.9090 0.9463 1.2282 -0.1338 0.4381 0.0231 302 VAL B O 2175 C CB . VAL B 65 ? 2.3710 1.3444 1.5676 -0.1852 0.4454 0.0557 302 VAL B CB 2176 C CG1 . VAL B 65 ? 2.0974 1.0108 1.2162 -0.1927 0.4298 0.0406 302 VAL B CG1 2177 C CG2 . VAL B 65 ? 2.5998 1.5877 1.8161 -0.2039 0.3998 0.0747 302 VAL B CG2 2178 N N . VAL B 66 ? 2.3154 1.4211 1.7273 -0.1477 0.3809 0.0478 303 VAL B N 2179 C CA . VAL B 66 ? 2.1266 1.2577 1.5865 -0.1370 0.3460 0.0399 303 VAL B CA 2180 C C . VAL B 66 ? 1.9139 1.0298 1.3530 -0.1567 0.2894 0.0499 303 VAL B C 2181 O O . VAL B 66 ? 2.0651 1.1843 1.5049 -0.1701 0.2716 0.0666 303 VAL B O 2182 C CB . VAL B 66 ? 1.7033 0.9158 1.2807 -0.1142 0.3480 0.0408 303 VAL B CB 2183 C CG1 . VAL B 66 ? 1.6931 0.9357 1.3236 -0.1075 0.3021 0.0382 303 VAL B CG1 2184 C CG2 . VAL B 66 ? 1.8565 1.0917 1.4608 -0.0896 0.3985 0.0302 303 VAL B CG2 2185 N N . SER B 67 ? 1.8374 0.9363 1.2559 -0.1586 0.2622 0.0411 304 SER B N 2186 C CA . SER B 67 ? 1.9213 1.0276 1.3455 -0.1708 0.2061 0.0519 304 SER B CA 2187 C C . SER B 67 ? 1.7158 0.8818 1.2340 -0.1503 0.1845 0.0482 304 SER B C 2188 O O . SER B 67 ? 1.8205 1.0120 1.3840 -0.1296 0.2099 0.0351 304 SER B O 2189 C CB . SER B 67 ? 2.0883 1.1400 1.4243 -0.1917 0.1840 0.0472 304 SER B CB 2190 O OG . SER B 67 ? 2.0673 1.1244 1.3951 -0.2075 0.1329 0.0644 304 SER B OG 2191 N N . VAL B 68 ? 1.5925 0.7809 1.1381 -0.1549 0.1375 0.0610 305 VAL B N 2192 C CA . VAL B 68 ? 1.5098 0.7523 1.1380 -0.1370 0.1117 0.0587 305 VAL B CA 2193 C C . VAL B 68 ? 1.6935 0.9324 1.3021 -0.1495 0.0598 0.0699 305 VAL B C 2194 O O . VAL B 68 ? 1.7831 1.0067 1.3593 -0.1639 0.0375 0.0875 305 VAL B O 2195 C CB . VAL B 68 ? 1.3231 0.6192 1.0376 -0.1220 0.1120 0.0665 305 VAL B CB 2196 C CG1 . VAL B 68 ? 1.3317 0.6773 1.1195 -0.1065 0.0779 0.0669 305 VAL B CG1 2197 C CG2 . VAL B 68 ? 1.3348 0.6519 1.0850 -0.1081 0.1609 0.0565 305 VAL B CG2 2198 N N . LEU B 69 ? 1.5642 0.8192 1.1924 -0.1437 0.0410 0.0615 306 LEU B N 2199 C CA . LEU B 69 ? 1.4708 0.7376 1.0959 -0.1529 -0.0095 0.0738 306 LEU B CA 2200 C C . LEU B 69 ? 1.4355 0.7662 1.1570 -0.1294 -0.0297 0.0737 306 LEU B C 2201 O O . LEU B 69 ? 1.5926 0.9450 1.3587 -0.1123 -0.0092 0.0582 306 LEU B O 2202 C CB . LEU B 69 ? 1.5714 0.7945 1.1177 -0.1751 -0.0188 0.0659 306 LEU B CB 2203 C CG . LEU B 69 ? 1.7463 0.9878 1.2915 -0.1860 -0.0680 0.0747 306 LEU B CG 2204 C CD1 . LEU B 69 ? 1.5620 0.8358 1.1311 -0.1865 -0.1089 0.1006 306 LEU B CD1 2205 C CD2 . LEU B 69 ? 1.8808 1.0634 1.3230 -0.2179 -0.0721 0.0685 306 LEU B CD2 2206 N N . THR B 70 ? 1.5125 0.8730 1.2653 -0.1267 -0.0682 0.0921 307 THR B N 2207 C CA . THR B 70 ? 1.5072 0.9316 1.3467 -0.1040 -0.0897 0.0928 307 THR B CA 2208 C C . THR B 70 ? 1.3461 0.7771 1.1694 -0.1127 -0.1212 0.0936 307 THR B C 2209 O O . THR B 70 ? 1.5572 0.9673 1.3276 -0.1330 -0.1519 0.1091 307 THR B O 2210 C CB . THR B 70 ? 1.4410 0.9024 1.3248 -0.0919 -0.1109 0.1105 307 THR B CB 2211 O OG1 . THR B 70 ? 1.6313 1.1038 1.5562 -0.0796 -0.0805 0.1053 307 THR B OG1 2212 C CG2 . THR B 70 ? 1.0376 0.5630 0.9855 -0.0730 -0.1412 0.1135 307 THR B CG2 2213 N N . VAL B 71 ? 1.1723 0.6326 1.0397 -0.0988 -0.1133 0.0782 308 VAL B N 2214 C CA . VAL B 71 ? 1.1904 0.6612 1.0501 -0.1068 -0.1403 0.0772 308 VAL B CA 2215 C C . VAL B 71 ? 1.1430 0.6863 1.0818 -0.0861 -0.1705 0.0872 308 VAL B C 2216 O O . VAL B 71 ? 1.2635 0.8518 1.2669 -0.0617 -0.1594 0.0859 308 VAL B O 2217 C CB . VAL B 71 ? 1.1211 0.5813 0.9801 -0.1023 -0.1111 0.0545 308 VAL B CB 2218 C CG1 . VAL B 71 ? 1.2621 0.6542 1.0439 -0.1175 -0.0746 0.0424 308 VAL B CG1 2219 C CG2 . VAL B 71 ? 0.7679 0.2836 0.7167 -0.0697 -0.0891 0.0450 308 VAL B CG2 2220 N N . LEU B 72 ? 0.8932 0.4492 0.8235 -0.0974 -0.2076 0.0969 309 LEU B N 2221 C CA . LEU B 72 ? 0.9421 0.5697 0.9468 -0.0768 -0.2344 0.1055 309 LEU B CA 2222 C C . LEU B 72 ? 0.9910 0.6528 1.0433 -0.0609 -0.2174 0.0866 309 LEU B C 2223 O O . LEU B 72 ? 1.0463 0.6708 1.0601 -0.0735 -0.2013 0.0736 309 LEU B O 2224 C CB . LEU B 72 ? 1.2003 0.8319 1.1789 -0.0963 -0.2821 0.1274 309 LEU B CB 2225 C CG . LEU B 72 ? 1.0910 0.6938 1.0177 -0.1112 -0.2979 0.1486 309 LEU B CG 2226 C CD1 . LEU B 72 ? 1.1669 0.8028 1.0833 -0.1245 -0.3421 0.1701 309 LEU B CD1 2227 C CD2 . LEU B 72 ? 0.7949 0.4287 0.7706 -0.0845 -0.2818 0.1490 309 LEU B CD2 2228 N N . HIS B 73 ? 0.8708 0.6041 0.9999 -0.0353 -0.2176 0.0832 310 HIS B N 2229 C CA . HIS B 73 ? 0.7801 0.5516 0.9537 -0.0191 -0.1954 0.0652 310 HIS B CA 2230 C C . HIS B 73 ? 0.9605 0.7166 1.1124 -0.0329 -0.2134 0.0654 310 HIS B C 2231 O O . HIS B 73 ? 0.9923 0.7293 1.1313 -0.0321 -0.1883 0.0507 310 HIS B O 2232 C CB . HIS B 73 ? 0.6466 0.4957 0.8862 -0.0052 -0.1945 0.0596 310 HIS B CB 2233 C CG . HIS B 73 ? 0.9990 0.8596 1.2520 0.0043 -0.1739 0.0572 310 HIS B CG 2234 N ND1 . HIS B 73 ? 0.7975 0.6374 1.0317 0.0009 -0.1860 0.0707 310 HIS B ND1 2235 C CD2 . HIS B 73 ? 0.8336 0.7197 1.1107 0.0143 -0.1438 0.0446 310 HIS B CD2 2236 C CE1 . HIS B 73 ? 0.8878 0.7387 1.1379 0.0099 -0.1637 0.0654 310 HIS B CE1 2237 N NE2 . HIS B 73 ? 0.8300 0.7096 1.1057 0.0166 -0.1399 0.0500 310 HIS B NE2 2238 N N . GLN B 74 ? 1.0516 0.8133 1.1938 -0.0483 -0.2562 0.0835 311 GLN B N 2239 C CA . GLN B 74 ? 1.5110 1.2635 1.6318 -0.0675 -0.2843 0.0900 311 GLN B CA 2240 C C . GLN B 74 ? 1.4269 1.1044 1.4572 -0.0986 -0.2745 0.0836 311 GLN B C 2241 O O . GLN B 74 ? 1.5673 1.2340 1.5753 -0.1109 -0.2727 0.0751 311 GLN B O 2242 C CB . GLN B 74 ? 1.7798 1.5506 1.8999 -0.0848 -0.3167 0.1096 311 GLN B CB 2243 C CG . GLN B 74 ? 1.9325 1.7626 2.1092 -0.0619 -0.2847 0.1020 311 GLN B CG 2244 C CD . GLN B 74 ? 2.3144 2.1730 2.5034 -0.0582 -0.2719 0.1003 311 GLN B CD 2245 O OE1 . GLN B 74 ? 2.3880 2.2777 2.6065 -0.0410 -0.2416 0.0857 311 GLN B OE1 2246 N NE2 . GLN B 74 ? 2.8023 2.6485 2.9564 -0.0774 -0.2941 0.1150 311 GLN B NE2 2247 N N . ASP B 75 ? 1.0935 0.7226 1.0663 -0.1149 -0.2704 0.0880 312 ASP B N 2248 C CA . ASP B 75 ? 0.9298 0.4882 0.8057 -0.1487 -0.2599 0.0794 312 ASP B CA 2249 C C . ASP B 75 ? 1.2839 0.8165 1.1525 -0.1374 -0.2113 0.0525 312 ASP B C 2250 O O . ASP B 75 ? 1.2745 0.7739 1.0929 -0.1557 -0.2035 0.0412 312 ASP B O 2251 C CB . ASP B 75 ? 1.1592 0.6740 0.9833 -0.1608 -0.2552 0.0871 312 ASP B CB 2252 C CG . ASP B 75 ? 1.3855 0.9090 1.1753 -0.1838 -0.2992 0.1127 312 ASP B CG 2253 O OD1 . ASP B 75 ? 1.4763 0.9671 1.2153 -0.1950 -0.2955 0.1201 312 ASP B OD1 2254 O OD2 . ASP B 75 ? 1.6017 1.1700 1.4158 -0.1896 -0.3357 0.1263 312 ASP B OD2 2255 N N . TRP B 76 ? 1.0164 0.5678 0.9373 -0.1069 -0.1786 0.0439 313 TRP B N 2256 C CA . TRP B 76 ? 0.8665 0.3985 0.7895 -0.0930 -0.1317 0.0227 313 TRP B CA 2257 C C . TRP B 76 ? 1.1080 0.6740 1.0694 -0.0824 -0.1327 0.0162 313 TRP B C 2258 O O . TRP B 76 ? 1.0767 0.6050 0.9995 -0.0910 -0.1123 0.0028 313 TRP B O 2259 C CB . TRP B 76 ? 1.0365 0.5935 1.0137 -0.0644 -0.1006 0.0190 313 TRP B CB 2260 C CG . TRP B 76 ? 0.7813 0.3220 0.7647 -0.0489 -0.0532 0.0009 313 TRP B CG 2261 C CD1 . TRP B 76 ? 0.8191 0.4060 0.8539 -0.0229 -0.0366 -0.0048 313 TRP B CD1 2262 C CD2 . TRP B 76 ? 0.7798 0.2586 0.7076 -0.0570 -0.0214 -0.0111 313 TRP B CD2 2263 N NE1 . TRP B 76 ? 0.8630 0.4057 0.8603 -0.0141 0.0001 -0.0176 313 TRP B NE1 2264 C CE2 . TRP B 76 ? 0.7129 0.2101 0.6814 -0.0325 0.0044 -0.0226 313 TRP B CE2 2265 C CE3 . TRP B 76 ? 0.8365 0.2517 0.6743 -0.0814 -0.0165 -0.0118 313 TRP B CE3 2266 C CZ2 . TRP B 76 ? 0.8118 0.2695 0.7271 -0.0293 0.0406 -0.0337 313 TRP B CZ2 2267 C CZ3 . TRP B 76 ? 1.0643 0.4357 0.8532 -0.0793 0.0231 -0.0252 313 TRP B CZ3 2268 C CH2 . TRP B 76 ? 0.9258 0.3193 0.7546 -0.0524 0.0529 -0.0355 313 TRP B CH2 2269 N N . LEU B 77 ? 0.9238 0.5616 0.9601 -0.0628 -0.1550 0.0258 314 LEU B N 2270 C CA . LEU B 77 ? 0.9193 0.5967 0.9967 -0.0504 -0.1560 0.0213 314 LEU B CA 2271 C C . LEU B 77 ? 0.9796 0.6265 1.0081 -0.0778 -0.1751 0.0216 314 LEU B C 2272 O O . LEU B 77 ? 1.1836 0.8288 1.2162 -0.0731 -0.1581 0.0113 314 LEU B O 2273 C CB . LEU B 77 ? 0.6553 0.4176 0.8160 -0.0287 -0.1815 0.0323 314 LEU B CB 2274 C CG . LEU B 77 ? 0.4603 0.2668 0.6693 -0.0031 -0.1508 0.0241 314 LEU B CG 2275 C CD1 . LEU B 77 ? 0.4522 0.3380 0.7248 0.0023 -0.1669 0.0261 314 LEU B CD1 2276 C CD2 . LEU B 77 ? 0.6121 0.4142 0.8189 0.0084 -0.1130 0.0100 314 LEU B CD2 2277 N N . ASN B 78 ? 1.1434 0.7679 1.1218 -0.1079 -0.2093 0.0344 315 ASN B N 2278 C CA . ASN B 78 ? 0.9835 0.5860 0.9073 -0.1394 -0.2299 0.0370 315 ASN B CA 2279 C C . ASN B 78 ? 1.1185 0.6422 0.9519 -0.1626 -0.1998 0.0192 315 ASN B C 2280 O O . ASN B 78 ? 1.2290 0.7255 1.0008 -0.1934 -0.2141 0.0203 315 ASN B O 2281 C CB . ASN B 78 ? 0.9922 0.6141 0.8992 -0.1622 -0.2788 0.0621 315 ASN B CB 2282 C CG . ASN B 78 ? 1.2971 0.9972 1.2876 -0.1400 -0.3090 0.0832 315 ASN B CG 2283 O OD1 . ASN B 78 ? 0.9850 0.7210 1.0319 -0.1163 -0.2995 0.0785 315 ASN B OD1 2284 N ND2 . ASN B 78 ? 0.9479 0.6703 0.9436 -0.1439 -0.3363 0.1082 315 ASN B ND2 2285 N N . GLY B 79 ? 1.2628 0.7528 1.0884 -0.1469 -0.1574 0.0044 316 GLY B N 2286 C CA . GLY B 79 ? 1.2617 0.6805 1.0093 -0.1607 -0.1242 -0.0124 316 GLY B CA 2287 C C . GLY B 79 ? 1.1132 0.4761 0.7667 -0.1930 -0.1324 -0.0096 316 GLY B C 2288 O O . GLY B 79 ? 1.3917 0.6975 0.9681 -0.2117 -0.1152 -0.0210 316 GLY B O 2289 N N . LYS B 80 ? 1.1799 0.5562 0.8355 -0.1994 -0.1571 0.0059 317 LYS B N 2290 C CA . LYS B 80 ? 1.3875 0.7089 0.9505 -0.2305 -0.1631 0.0094 317 LYS B CA 2291 C C . LYS B 80 ? 1.2924 0.5606 0.8178 -0.2194 -0.1130 -0.0074 317 LYS B C 2292 O O . LYS B 80 ? 1.4291 0.7176 1.0155 -0.1860 -0.0818 -0.0151 317 LYS B O 2293 C CB . LYS B 80 ? 1.2218 0.5714 0.7990 -0.2391 -0.2030 0.0331 317 LYS B CB 2294 C CG . LYS B 80 ? 1.4315 0.8398 1.0476 -0.2486 -0.2542 0.0539 317 LYS B CG 2295 C CD . LYS B 80 ? 1.7284 1.1584 1.3468 -0.2605 -0.2956 0.0808 317 LYS B CD 2296 C CE . LYS B 80 ? 1.7119 1.2159 1.3874 -0.2601 -0.3424 0.1044 317 LYS B CE 2297 N NZ . LYS B 80 ? 1.6229 1.1367 1.2519 -0.2902 -0.3809 0.1302 317 LYS B NZ 2298 N N . GLU B 81 ? 1.3829 0.5858 0.8075 -0.2472 -0.1045 -0.0122 318 GLU B N 2299 C CA . GLU B 81 ? 1.4955 0.6457 0.8767 -0.2370 -0.0551 -0.0275 318 GLU B CA 2300 C C . GLU B 81 ? 1.5985 0.7201 0.9370 -0.2479 -0.0536 -0.0197 318 GLU B C 2301 O O . GLU B 81 ? 1.6618 0.7657 0.9439 -0.2801 -0.0867 -0.0074 318 GLU B O 2302 C CB . GLU B 81 ? 1.7983 0.8843 1.0884 -0.2562 -0.0340 -0.0424 318 GLU B CB 2303 C CG . GLU B 81 ? 2.2904 1.3871 1.5735 -0.2742 -0.0602 -0.0414 318 GLU B CG 2304 C CD . GLU B 81 ? 2.5203 1.5628 1.7453 -0.2763 -0.0253 -0.0586 318 GLU B CD 2305 O OE1 . GLU B 81 ? 2.6079 1.5834 1.7458 -0.2882 0.0023 -0.0669 318 GLU B OE1 2306 O OE2 . GLU B 81 ? 2.2559 1.3213 1.5219 -0.2652 -0.0244 -0.0628 318 GLU B OE2 2307 N N . TYR B 82 ? 1.3633 0.4793 0.7245 -0.2224 -0.0138 -0.0260 319 TYR B N 2308 C CA . TYR B 82 ? 1.6074 0.7018 0.9408 -0.2281 -0.0077 -0.0176 319 TYR B CA 2309 C C . TYR B 82 ? 1.8714 0.8919 1.1129 -0.2365 0.0356 -0.0309 319 TYR B C 2310 O O . TYR B 82 ? 1.7332 0.7465 0.9908 -0.2109 0.0815 -0.0429 319 TYR B O 2311 C CB . TYR B 82 ? 1.5447 0.6958 0.9786 -0.1948 0.0011 -0.0103 319 TYR B CB 2312 C CG . TYR B 82 ? 1.3790 0.5973 0.8944 -0.1876 -0.0424 0.0044 319 TYR B CG 2313 C CD1 . TYR B 82 ? 1.3456 0.5814 0.8678 -0.1988 -0.0793 0.0258 319 TYR B CD1 2314 C CD2 . TYR B 82 ? 1.5367 0.7999 1.1193 -0.1689 -0.0462 -0.0014 319 TYR B CD2 2315 C CE1 . TYR B 82 ? 1.1982 0.4955 0.7930 -0.1895 -0.1183 0.0407 319 TYR B CE1 2316 C CE2 . TYR B 82 ? 1.6390 0.9628 1.2925 -0.1615 -0.0843 0.0121 319 TYR B CE2 2317 C CZ . TYR B 82 ? 1.4337 0.7750 1.0933 -0.1709 -0.1200 0.0331 319 TYR B CZ 2318 O OH . TYR B 82 ? 1.6686 1.0725 1.3994 -0.1599 -0.1567 0.0477 319 TYR B OH 2319 N N . LYS B 83 ? 1.9601 0.9269 1.1035 -0.2729 0.0202 -0.0272 320 LYS B N 2320 C CA . LYS B 83 ? 2.0714 0.9607 1.1138 -0.2854 0.0588 -0.0396 320 LYS B CA 2321 C C . LYS B 83 ? 2.2836 1.1572 1.3147 -0.2828 0.0760 -0.0313 320 LYS B C 2322 O O . LYS B 83 ? 2.3881 1.2788 1.4264 -0.2970 0.0420 -0.0122 320 LYS B O 2323 C CB . LYS B 83 ? 2.0303 0.8652 0.9634 -0.3292 0.0349 -0.0405 320 LYS B CB 2324 C CG . LYS B 83 ? 2.2295 0.9794 1.0526 -0.3413 0.0781 -0.0558 320 LYS B CG 2325 C CD . LYS B 83 ? 2.1404 0.8355 0.8493 -0.3901 0.0512 -0.0510 320 LYS B CD 2326 C CE . LYS B 83 ? 2.2672 0.9634 0.9536 -0.4116 0.0260 -0.0519 320 LYS B CE 2327 N NZ . LYS B 83 ? 2.2163 0.8816 0.8140 -0.4611 -0.0119 -0.0390 320 LYS B NZ 2328 N N . CYS B 84 ? 2.1509 0.9923 1.1636 -0.2644 0.1301 -0.0434 321 CYS B N 2329 C CA . CYS B 84 ? 2.1515 0.9714 1.1458 -0.2625 0.1552 -0.0364 321 CYS B CA 2330 C C . CYS B 84 ? 2.4013 1.1301 1.2681 -0.2849 0.1867 -0.0471 321 CYS B C 2331 O O . CYS B 84 ? 2.5428 1.2344 1.3742 -0.2724 0.2302 -0.0641 321 CYS B O 2332 C CB . CYS B 84 ? 1.8617 0.7237 0.9439 -0.2223 0.1952 -0.0388 321 CYS B CB 2333 S SG . CYS B 84 ? 2.6617 1.5184 1.7483 -0.2180 0.2232 -0.0254 321 CYS B SG 2334 N N . LYS B 85 ? 2.3214 1.0148 1.1185 -0.3170 0.1652 -0.0351 322 LYS B N 2335 C CA . LYS B 85 ? 2.2138 0.8169 0.8810 -0.3431 0.1904 -0.0445 322 LYS B CA 2336 C C . LYS B 85 ? 2.4926 1.0831 1.1475 -0.3361 0.2233 -0.0347 322 LYS B C 2337 O O . LYS B 85 ? 2.4276 1.0538 1.1037 -0.3442 0.1951 -0.0129 322 LYS B O 2338 C CB . LYS B 85 ? 2.3433 0.9141 0.9250 -0.3895 0.1414 -0.0382 322 LYS B CB 2339 C CG . LYS B 85 ? 2.7799 1.2567 1.2211 -0.4220 0.1613 -0.0454 322 LYS B CG 2340 C CD . LYS B 85 ? 2.9867 1.4388 1.3456 -0.4704 0.1098 -0.0386 322 LYS B CD 2341 C CE . LYS B 85 ? 3.0869 1.4984 1.3840 -0.4829 0.1245 -0.0510 322 LYS B CE 2342 N NZ . LYS B 85 ? 3.0357 1.4340 1.2755 -0.5306 0.0764 -0.0382 322 LYS B NZ 2343 N N . VAL B 86 ? 2.6949 1.2445 1.3192 -0.3178 0.2832 -0.0495 323 VAL B N 2344 C CA . VAL B 86 ? 2.6735 1.2355 1.3119 -0.3019 0.3206 -0.0402 323 VAL B CA 2345 C C . VAL B 86 ? 2.8896 1.3701 1.4008 -0.3237 0.3498 -0.0453 323 VAL B C 2346 O O . VAL B 86 ? 2.8903 1.3128 1.3428 -0.3140 0.4000 -0.0638 323 VAL B O 2347 C CB . VAL B 86 ? 2.0556 0.6489 0.7700 -0.2593 0.3714 -0.0488 323 VAL B CB 2348 C CG1 . VAL B 86 ? 2.0248 0.6589 0.7860 -0.2434 0.3984 -0.0340 323 VAL B CG1 2349 C CG2 . VAL B 86 ? 2.2848 0.9439 1.1070 -0.2390 0.3465 -0.0492 323 VAL B CG2 2350 N N . SER B 87 ? 2.9765 1.4522 1.4442 -0.3514 0.3198 -0.0280 324 SER B N 2351 C CA . SER B 87 ? 3.2110 1.6164 1.5612 -0.3744 0.3382 -0.0339 324 SER B CA 2352 C C . SER B 87 ? 2.9599 1.3774 1.3275 -0.3543 0.3828 -0.0292 324 SER B C 2353 O O . SER B 87 ? 2.9278 1.3917 1.3383 -0.3546 0.3675 -0.0078 324 SER B O 2354 C CB . SER B 87 ? 3.4355 1.8397 1.7388 -0.4124 0.2792 -0.0207 324 SER B CB 2355 O OG . SER B 87 ? 3.5221 1.9312 1.8241 -0.4311 0.2333 -0.0206 324 SER B OG 2356 N N . ASN B 88 ? 2.8932 1.2701 1.2327 -0.3362 0.4367 -0.0483 325 ASN B N 2357 C CA . ASN B 88 ? 2.9587 1.3414 1.3050 -0.3199 0.4791 -0.0447 325 ASN B CA 2358 C C . ASN B 88 ? 3.2450 1.5492 1.4926 -0.3348 0.4979 -0.0594 325 ASN B C 2359 O O . ASN B 88 ? 3.2652 1.5129 1.4441 -0.3595 0.4767 -0.0710 325 ASN B O 2360 C CB . ASN B 88 ? 2.8743 1.2981 1.3042 -0.2775 0.5286 -0.0474 325 ASN B CB 2361 C CG . ASN B 88 ? 3.0000 1.4429 1.4492 -0.2600 0.5710 -0.0406 325 ASN B CG 2362 O OD1 . ASN B 88 ? 3.4178 1.8382 1.8162 -0.2775 0.5673 -0.0357 325 ASN B OD1 2363 N ND2 . ASN B 88 ? 2.8820 1.3688 1.4048 -0.2272 0.6077 -0.0393 325 ASN B ND2 2364 N N . LYS B 89 ? 3.3160 1.6195 1.5602 -0.3218 0.5359 -0.0562 326 LYS B N 2365 C CA . LYS B 89 ? 3.2998 1.5349 1.4550 -0.3357 0.5536 -0.0653 326 LYS B CA 2366 C C . LYS B 89 ? 3.3470 1.5575 1.5084 -0.3033 0.6121 -0.0765 326 LYS B C 2367 O O . LYS B 89 ? 3.3557 1.5102 1.4488 -0.3090 0.6348 -0.0829 326 LYS B O 2368 C CB . LYS B 89 ? 3.2643 1.5196 1.4083 -0.3456 0.5518 -0.0493 326 LYS B CB 2369 C CG . LYS B 89 ? 3.5001 1.7651 1.6160 -0.3802 0.4957 -0.0349 326 LYS B CG 2370 C CD . LYS B 89 ? 3.9011 2.1561 1.9757 -0.3909 0.5048 -0.0246 326 LYS B CD 2371 C CE . LYS B 89 ? 4.0746 2.3916 2.1979 -0.3965 0.4767 0.0026 326 LYS B CE 2372 N NZ . LYS B 89 ? 3.6117 1.9928 1.8213 -0.3912 0.4389 0.0167 326 LYS B NZ 2373 N N . ALA B 90 ? 3.3989 1.6577 1.6470 -0.2680 0.6364 -0.0757 327 ALA B N 2374 C CA . ALA B 90 ? 3.3815 1.6216 1.6430 -0.2355 0.6847 -0.0836 327 ALA B CA 2375 C C . ALA B 90 ? 3.4683 1.6515 1.6905 -0.2436 0.6737 -0.0967 327 ALA B C 2376 O O . ALA B 90 ? 3.5915 1.7340 1.7937 -0.2262 0.7069 -0.1029 327 ALA B O 2377 C CB . ALA B 90 ? 3.1317 1.4554 1.5079 -0.1949 0.7119 -0.0741 327 ALA B CB 2378 N N . LEU B 91 ? 3.3666 1.5502 1.5790 -0.2705 0.6262 -0.0980 328 LEU B N 2379 C CA . LEU B 91 ? 3.2927 1.4277 1.4671 -0.2847 0.6101 -0.1070 328 LEU B CA 2380 C C . LEU B 91 ? 3.5005 1.5682 1.5703 -0.3325 0.5760 -0.1119 328 LEU B C 2381 O O . LEU B 91 ? 3.4269 1.5053 1.4709 -0.3597 0.5421 -0.1064 328 LEU B O 2382 C CB . LEU B 91 ? 3.1693 1.3581 1.4140 -0.2791 0.5817 -0.1039 328 LEU B CB 2383 C CG . LEU B 91 ? 3.1660 1.4266 1.4704 -0.2803 0.5534 -0.0942 328 LEU B CG 2384 C CD1 . LEU B 91 ? 3.2596 1.5150 1.5262 -0.3203 0.4928 -0.0914 328 LEU B CD1 2385 C CD2 . LEU B 91 ? 2.9332 1.2644 1.3456 -0.2420 0.5709 -0.0905 328 LEU B CD2 2386 N N . PRO B 92 ? 3.6668 1.6688 1.6781 -0.3425 0.5849 -0.1200 329 PRO B N 2387 C CA . PRO B 92 ? 3.6594 1.5975 1.5734 -0.3896 0.5532 -0.1243 329 PRO B CA 2388 C C . PRO B 92 ? 3.6350 1.6039 1.5609 -0.4200 0.4938 -0.1188 329 PRO B C 2389 O O . PRO B 92 ? 3.6164 1.5789 1.4970 -0.4581 0.4518 -0.1150 329 PRO B O 2390 C CB . PRO B 92 ? 3.5152 1.3875 1.3847 -0.3831 0.5853 -0.1324 329 PRO B CB 2391 C CG . PRO B 92 ? 3.4588 1.3769 1.4167 -0.3378 0.6138 -0.1297 329 PRO B CG 2392 C CD . PRO B 92 ? 3.5715 1.5611 1.6101 -0.3080 0.6268 -0.1232 329 PRO B CD 2393 N N . ALA B 93 ? 3.6024 1.6117 1.5936 -0.4014 0.4897 -0.1166 330 ALA B N 2394 C CA . ALA B 93 ? 3.6082 1.6589 1.6236 -0.4237 0.4351 -0.1098 330 ALA B CA 2395 C C . ALA B 93 ? 3.4074 1.5395 1.5225 -0.3939 0.4305 -0.1035 330 ALA B C 2396 O O . ALA B 93 ? 3.5088 1.6656 1.6829 -0.3528 0.4733 -0.1054 330 ALA B O 2397 C CB . ALA B 93 ? 3.6190 1.6502 1.6193 -0.4312 0.4296 -0.1128 330 ALA B CB 2398 N N . PRO B 94 ? 3.0903 1.2672 1.2272 -0.4141 0.3775 -0.0948 331 PRO B N 2399 C CA . PRO B 94 ? 3.0477 1.2974 1.2753 -0.3860 0.3738 -0.0898 331 PRO B CA 2400 C C . PRO B 94 ? 3.0455 1.3350 1.3433 -0.3551 0.3869 -0.0944 331 PRO B C 2401 O O . PRO B 94 ? 3.0564 1.3410 1.3388 -0.3698 0.3637 -0.0963 331 PRO B O 2402 C CB . PRO B 94 ? 2.9155 1.1973 1.1406 -0.4178 0.3081 -0.0785 331 PRO B CB 2403 C CG . PRO B 94 ? 2.9201 1.1506 1.0566 -0.4622 0.2800 -0.0766 331 PRO B CG 2404 C CD . PRO B 94 ? 2.9774 1.1477 1.0681 -0.4598 0.3189 -0.0880 331 PRO B CD 2405 N N . ILE B 95 ? 2.7448 1.0778 1.1232 -0.3128 0.4232 -0.0961 332 ILE B N 2406 C CA . ILE B 95 ? 2.5766 0.9614 1.0398 -0.2795 0.4327 -0.0998 332 ILE B CA 2407 C C . ILE B 95 ? 2.3580 0.8089 0.8872 -0.2865 0.3743 -0.0976 332 ILE B C 2408 O O . ILE B 95 ? 2.3700 0.8473 0.9168 -0.3036 0.3332 -0.0895 332 ILE B O 2409 C CB . ILE B 95 ? 2.6074 1.0395 1.1583 -0.2347 0.4767 -0.0981 332 ILE B CB 2410 C CG1 . ILE B 95 ? 2.9941 1.3877 1.5252 -0.2115 0.5364 -0.0986 332 ILE B CG1 2411 C CG2 . ILE B 95 ? 2.6734 1.1951 1.3472 -0.2074 0.4574 -0.0967 332 ILE B CG2 2412 C CD1 . ILE B 95 ? 3.2481 1.6148 1.7682 -0.1971 0.5610 -0.1017 332 ILE B CD1 2413 N N . GLU B 96 ? 1.5450 1.2193 0.5402 -0.0245 0.1197 0.2939 333 GLU B N 2414 C CA . GLU B 96 ? 1.5607 1.2125 0.5885 -0.0325 0.0971 0.2806 333 GLU B CA 2415 C C . GLU B 96 ? 1.5496 1.1655 0.6337 -0.0408 0.1086 0.2559 333 GLU B C 2416 O O . GLU B 96 ? 1.5545 1.1532 0.6351 -0.0403 0.1309 0.2332 333 GLU B O 2417 C CB . GLU B 96 ? 1.6384 1.2848 0.6014 -0.0377 0.0702 0.2479 333 GLU B CB 2418 C CG . GLU B 96 ? 1.9930 1.6808 0.9198 -0.0284 0.0484 0.2784 333 GLU B CG 2419 C CD . GLU B 96 ? 2.1551 1.8435 1.0313 -0.0354 0.0148 0.2451 333 GLU B CD 2420 O OE1 . GLU B 96 ? 2.1608 1.8773 1.0296 -0.0291 -0.0123 0.2684 333 GLU B OE1 2421 O OE2 . GLU B 96 ? 2.2644 1.9269 1.1132 -0.0480 0.0137 0.1960 333 GLU B OE2 2422 N N . LYS B 97 ? 1.4529 1.0601 0.5907 -0.0467 0.0929 0.2627 334 LYS B N 2423 C CA . LYS B 97 ? 1.6506 1.2267 0.8334 -0.0566 0.0964 0.2343 334 LYS B CA 2424 C C . LYS B 97 ? 1.6113 1.1749 0.8063 -0.0674 0.0674 0.2251 334 LYS B C 2425 O O . LYS B 97 ? 1.5538 1.1335 0.7719 -0.0624 0.0496 0.2558 334 LYS B O 2426 C CB . LYS B 97 ? 1.6239 1.2098 0.8863 -0.0520 0.1144 0.2552 334 LYS B CB 2427 C CG . LYS B 97 ? 1.2968 0.8981 0.5558 -0.0443 0.1410 0.2664 334 LYS B CG 2428 C CD . LYS B 97 ? 1.3374 0.9113 0.5741 -0.0443 0.1594 0.2267 334 LYS B CD 2429 C CE . LYS B 97 ? 1.7720 1.3606 0.9950 -0.0342 0.1852 0.2380 334 LYS B CE 2430 N NZ . LYS B 97 ? 1.7645 1.3721 0.9176 -0.0285 0.1857 0.2513 334 LYS B NZ 2431 N N . THR B 98 ? 1.5766 1.1117 0.7570 -0.0827 0.0621 0.1841 335 THR B N 2432 C CA . THR B 98 ? 1.6258 1.1510 0.8202 -0.0969 0.0356 0.1719 335 THR B CA 2433 C C . THR B 98 ? 1.5704 1.0785 0.8267 -0.1017 0.0475 0.1593 335 THR B C 2434 O O . THR B 98 ? 1.6229 1.1196 0.8902 -0.0995 0.0719 0.1439 335 THR B O 2435 C CB . THR B 98 ? 1.6267 1.1434 0.7607 -0.1151 0.0164 0.1354 335 THR B CB 2436 O OG1 . THR B 98 ? 1.7244 1.2672 0.8070 -0.1083 -0.0001 0.1469 335 THR B OG1 2437 C CG2 . THR B 98 ? 1.4292 0.9421 0.5834 -0.1333 -0.0100 0.1204 335 THR B CG2 2438 N N . ILE B 99 ? 1.2959 0.8055 0.5947 -0.1054 0.0292 0.1668 336 ILE B N 2439 C CA . ILE B 99 ? 1.2526 0.7527 0.6094 -0.1088 0.0370 0.1523 336 ILE B CA 2440 C C . ILE B 99 ? 1.2986 0.7928 0.6597 -0.1226 0.0094 0.1430 336 ILE B C 2441 O O . ILE B 99 ? 1.5021 1.0055 0.8397 -0.1245 -0.0182 0.1574 336 ILE B O 2442 C CB . ILE B 99 ? 1.4771 0.9967 0.9121 -0.0921 0.0476 0.1791 336 ILE B CB 2443 C CG1 . ILE B 99 ? 1.6477 1.1696 1.1251 -0.0894 0.0695 0.1600 336 ILE B CG1 2444 C CG2 . ILE B 99 ? 1.4836 1.0079 0.9676 -0.0896 0.0237 0.1956 336 ILE B CG2 2445 C CD1 . ILE B 99 ? 1.8305 1.3734 1.3953 -0.0813 0.0668 0.1715 336 ILE B CD1 2446 N N . SER B 100 ? 1.0403 0.5252 0.4327 -0.1307 0.0150 0.1205 337 SER B N 2447 C CA . SER B 100 ? 1.2221 0.7067 0.6309 -0.1421 -0.0091 0.1145 337 SER B CA 2448 C C . SER B 100 ? 1.2093 0.6900 0.6629 -0.1449 0.0062 0.0921 337 SER B C 2449 O O . SER B 100 ? 1.3223 0.8060 0.7917 -0.1367 0.0315 0.0802 337 SER B O 2450 C CB . SER B 100 ? 1.5066 1.0133 0.8809 -0.1580 -0.0308 0.0894 337 SER B CB 2451 O OG . SER B 100 ? 1.5707 1.0642 0.9310 -0.1753 -0.0163 0.0568 337 SER B OG 2452 N N . LYS B 101 ? 1.0368 0.5430 0.5379 -0.1470 -0.0125 0.0773 338 LYS B N 2453 C CA . LYS B 101 ? 0.9897 0.4959 0.5292 -0.1489 -0.0002 0.0578 338 LYS B CA 2454 C C . LYS B 101 ? 1.1879 0.6752 0.6796 -0.1671 0.0191 0.0347 338 LYS B C 2455 O O . LYS B 101 ? 1.2736 0.7499 0.7068 -0.1789 0.0186 0.0296 338 LYS B O 2456 C CB . LYS B 101 ? 0.9944 0.5418 0.5912 -0.1447 -0.0260 0.0459 338 LYS B CB 2457 C CG . LYS B 101 ? 0.8387 0.3988 0.4748 -0.1455 -0.0182 0.0238 338 LYS B CG 2458 C CD . LYS B 101 ? 1.0342 0.6404 0.6971 -0.1496 -0.0418 0.0074 338 LYS B CD 2459 C CE . LYS B 101 ? 1.0078 0.6319 0.6964 -0.1546 -0.0316 -0.0153 338 LYS B CE 2460 N NZ . LYS B 101 ? 1.1502 0.7663 0.8785 -0.1366 -0.0221 -0.0134 338 LYS B NZ 2461 N N . ALA B 102 ? 1.1784 0.6831 0.7067 -0.1607 0.0341 0.0168 339 ALA B N 2462 C CA . ALA B 102 ? 1.0810 0.5801 0.5777 -0.1707 0.0510 -0.0033 339 ALA B CA 2463 C C . ALA B 102 ? 1.4290 0.9424 0.9289 -0.1923 0.0374 -0.0184 339 ALA B C 2464 O O . ALA B 102 ? 1.5084 1.0550 1.0611 -0.1878 0.0263 -0.0225 339 ALA B O 2465 C CB . ALA B 102 ? 1.0763 0.6030 0.6139 -0.1489 0.0707 -0.0088 339 ALA B CB 2466 N N . LYS B 103 ? 1.2349 0.7341 0.6885 -0.2121 0.0381 -0.0286 340 LYS B N 2467 C CA . LYS B 103 ? 1.1141 0.6491 0.5883 -0.2283 0.0233 -0.0431 340 LYS B CA 2468 C C . LYS B 103 ? 1.3642 0.9261 0.8800 -0.2222 0.0421 -0.0471 340 LYS B C 2469 O O . LYS B 103 ? 1.3025 0.8544 0.8167 -0.2069 0.0654 -0.0411 340 LYS B O 2470 C CB . LYS B 103 ? 0.8983 0.4190 0.3239 -0.2452 0.0165 -0.0505 340 LYS B CB 2471 C CG . LYS B 103 ? 1.3752 0.8835 0.7537 -0.2457 -0.0063 -0.0452 340 LYS B CG 2472 C CD . LYS B 103 ? 1.3697 0.9237 0.7905 -0.2395 -0.0373 -0.0389 340 LYS B CD 2473 C CE . LYS B 103 ? 1.2904 0.8492 0.6950 -0.2215 -0.0522 -0.0137 340 LYS B CE 2474 N NZ . LYS B 103 ? 1.4432 0.9828 0.7720 -0.2312 -0.0560 -0.0167 340 LYS B NZ 2475 N N . GLY B 104 ? 0.8273 0.4270 0.3789 -0.2327 0.0304 -0.0577 341 GLY B N 2476 C CA . GLY B 104 ? 0.9333 0.5521 0.5132 -0.2308 0.0472 -0.0610 341 GLY B CA 2477 C C . GLY B 104 ? 0.7324 0.3862 0.3626 -0.2219 0.0419 -0.0635 341 GLY B C 2478 O O . GLY B 104 ? 0.6984 0.3568 0.3448 -0.2118 0.0286 -0.0615 341 GLY B O 2479 N N . GLN B 105 ? 0.7980 0.4718 0.4497 -0.2261 0.0530 -0.0681 342 GLN B N 2480 C CA . GLN B 105 ? 0.9215 0.6311 0.6165 -0.2236 0.0479 -0.0744 342 GLN B CA 2481 C C . GLN B 105 ? 0.6518 0.3584 0.3650 -0.1983 0.0539 -0.0696 342 GLN B C 2482 O O . GLN B 105 ? 1.3639 1.0609 1.0726 -0.1857 0.0736 -0.0633 342 GLN B O 2483 C CB . GLN B 105 ? 1.1866 0.9138 0.8930 -0.2373 0.0624 -0.0788 342 GLN B CB 2484 C CG . GLN B 105 ? 1.4299 1.1951 1.1576 -0.2636 0.0472 -0.0894 342 GLN B CG 2485 C CD . GLN B 105 ? 1.2517 1.0633 1.0194 -0.2622 0.0288 -0.0991 342 GLN B CD 2486 O OE1 . GLN B 105 ? 1.0519 0.8859 0.8446 -0.2553 0.0384 -0.1037 342 GLN B OE1 2487 N NE2 . GLN B 105 ? 1.2652 1.0953 1.0380 -0.2673 0.0012 -0.1038 342 GLN B NE2 2488 N N . PRO B 106 ? 0.7051 0.4218 0.4409 -0.1904 0.0348 -0.0741 343 PRO B N 2489 C CA . PRO B 106 ? 1.0560 0.7704 0.8154 -0.1663 0.0386 -0.0725 343 PRO B CA 2490 C C . PRO B 106 ? 0.5528 0.2894 0.3319 -0.1629 0.0522 -0.0815 343 PRO B C 2491 O O . PRO B 106 ? 1.3464 1.1153 1.1397 -0.1769 0.0492 -0.0941 343 PRO B O 2492 C CB . PRO B 106 ? 0.7914 0.5162 0.5751 -0.1604 0.0120 -0.0791 343 PRO B CB 2493 C CG . PRO B 106 ? 0.9542 0.6673 0.7096 -0.1755 -0.0021 -0.0727 343 PRO B CG 2494 C CD . PRO B 106 ? 0.7371 0.4605 0.4727 -0.2002 0.0070 -0.0789 343 PRO B CD 2495 N N . ARG B 107 ? 0.7621 0.4890 0.5433 -0.1445 0.0666 -0.0744 344 ARG B N 2496 C CA . ARG B 107 ? 0.7057 0.4480 0.4960 -0.1417 0.0815 -0.0826 344 ARG B CA 2497 C C . ARG B 107 ? 0.6102 0.3594 0.4261 -0.1164 0.0766 -0.0896 344 ARG B C 2498 O O . ARG B 107 ? 0.7710 0.5068 0.5953 -0.1011 0.0696 -0.0792 344 ARG B O 2499 C CB . ARG B 107 ? 1.1018 0.8277 0.8643 -0.1457 0.1053 -0.0691 344 ARG B CB 2500 C CG . ARG B 107 ? 1.3670 1.0864 1.1058 -0.1674 0.1094 -0.0665 344 ARG B CG 2501 C CD . ARG B 107 ? 2.0972 1.8198 1.8276 -0.1791 0.1297 -0.0682 344 ARG B CD 2502 N NE . ARG B 107 ? 2.4723 2.1730 2.1743 -0.1838 0.1356 -0.0636 344 ARG B NE 2503 C CZ . ARG B 107 ? 2.4470 2.1310 2.1348 -0.1758 0.1500 -0.0621 344 ARG B CZ 2504 N NH1 . ARG B 107 ? 2.3387 2.0258 2.0376 -0.1635 0.1602 -0.0619 344 ARG B NH1 2505 N NH2 . ARG B 107 ? 2.4555 2.1174 2.1203 -0.1808 0.1528 -0.0617 344 ARG B NH2 2506 N N . GLU B 108 ? 0.6434 0.4311 0.4794 -0.1076 0.0786 -0.1042 345 GLU B N 2507 C CA . GLU B 108 ? 0.7484 0.5585 0.6146 -0.0793 0.0695 -0.1162 345 GLU B CA 2508 C C . GLU B 108 ? 0.8942 0.6802 0.7431 -0.0719 0.0866 -0.1107 345 GLU B C 2509 O O . GLU B 108 ? 0.8973 0.6879 0.7257 -0.0779 0.1074 -0.1045 345 GLU B O 2510 C CB . GLU B 108 ? 0.6770 0.5511 0.5684 -0.0684 0.0676 -0.1303 345 GLU B CB 2511 C CG . GLU B 108 ? 0.7468 0.6520 0.6757 -0.0384 0.0491 -0.1500 345 GLU B CG 2512 C CD . GLU B 108 ? 1.0266 0.9976 0.9732 -0.0257 0.0532 -0.1635 345 GLU B CD 2513 O OE1 . GLU B 108 ? 1.0548 1.0436 0.9852 -0.0230 0.0727 -0.1615 345 GLU B OE1 2514 O OE2 . GLU B 108 ? 1.3781 1.3851 1.3542 -0.0175 0.0380 -0.1741 345 GLU B OE2 2515 N N . PRO B 109 ? 0.8569 0.6314 0.7247 -0.0559 0.0736 -0.1044 346 PRO B N 2516 C CA . PRO B 109 ? 0.9002 0.6754 0.7718 -0.0420 0.0786 -0.0981 346 PRO B CA 2517 C C . PRO B 109 ? 0.8984 0.7088 0.7784 -0.0246 0.0805 -0.1182 346 PRO B C 2518 O O . PRO B 109 ? 0.6142 0.4529 0.5180 -0.0108 0.0661 -0.1410 346 PRO B O 2519 C CB . PRO B 109 ? 0.8006 0.5699 0.7046 -0.0295 0.0555 -0.0978 346 PRO B CB 2520 C CG . PRO B 109 ? 0.5023 0.2755 0.4237 -0.0280 0.0383 -0.1127 346 PRO B CG 2521 C CD . PRO B 109 ? 0.6170 0.3811 0.5090 -0.0504 0.0506 -0.1044 346 PRO B CD 2522 N N . GLN B 110 ? 0.7491 0.5621 0.6106 -0.0224 0.0977 -0.1082 347 GLN B N 2523 C CA . GLN B 110 ? 0.7861 0.6388 0.6523 -0.0014 0.0982 -0.1209 347 GLN B CA 2524 C C . GLN B 110 ? 0.9318 0.7785 0.8160 0.0145 0.0836 -0.1235 347 GLN B C 2525 O O . GLN B 110 ? 0.9908 0.8056 0.8743 0.0056 0.0859 -0.1063 347 GLN B O 2526 C CB . GLN B 110 ? 0.6725 0.5311 0.5095 -0.0084 0.1230 -0.1028 347 GLN B CB 2527 C CG . GLN B 110 ? 1.1379 0.9873 0.9567 -0.0332 0.1389 -0.0936 347 GLN B CG 2528 C CD . GLN B 110 ? 1.3402 1.1773 1.1380 -0.0436 0.1582 -0.0691 347 GLN B CD 2529 O OE1 . GLN B 110 ? 1.1092 0.9672 0.9065 -0.0277 0.1610 -0.0615 347 GLN B OE1 2530 N NE2 . GLN B 110 ? 1.3246 1.1269 1.1073 -0.0693 0.1676 -0.0585 347 GLN B NE2 2531 N N . VAL B 111 ? 0.6821 0.5601 0.5801 0.0382 0.0689 -0.1442 348 VAL B N 2532 C CA . VAL B 111 ? 0.5833 0.4485 0.4970 0.0502 0.0528 -0.1487 348 VAL B CA 2533 C C . VAL B 111 ? 0.4320 0.3283 0.3399 0.0650 0.0582 -0.1564 348 VAL B C 2534 O O . VAL B 111 ? 0.5991 0.5367 0.5157 0.0752 0.0517 -0.1701 348 VAL B O 2535 C CB . VAL B 111 ? 0.5865 0.4488 0.5357 0.0492 0.0315 -0.1588 348 VAL B CB 2536 C CG1 . VAL B 111 ? 0.4490 0.3196 0.4278 0.0577 0.0149 -0.1670 348 VAL B CG1 2537 C CG2 . VAL B 111 ? 0.6453 0.4683 0.5951 0.0339 0.0276 -0.1432 348 VAL B CG2 2538 N N . TYR B 112 ? 1.1710 1.0546 1.0663 0.0689 0.0664 -0.1469 349 TYR B N 2539 C CA . TYR B 112 ? 1.0231 0.9443 0.9179 0.0809 0.0698 -0.1536 349 TYR B CA 2540 C C . TYR B 112 ? 0.9760 0.8933 0.8981 0.0884 0.0511 -0.1618 349 TYR B C 2541 O O . TYR B 112 ? 1.0149 0.8954 0.9432 0.0810 0.0554 -0.1510 349 TYR B O 2542 C CB . TYR B 112 ? 0.6567 0.5952 0.5285 0.0765 0.0943 -0.1383 349 TYR B CB 2543 C CG . TYR B 112 ? 0.7863 0.7355 0.6375 0.0683 0.1054 -0.1244 349 TYR B CG 2544 C CD1 . TYR B 112 ? 0.9057 0.8840 0.7515 0.0670 0.1142 -0.1326 349 TYR B CD1 2545 C CD2 . TYR B 112 ? 0.7978 0.7012 0.6333 0.0469 0.1201 -0.0972 349 TYR B CD2 2546 C CE1 . TYR B 112 ? 0.9110 0.9170 0.7471 0.0635 0.1199 -0.1222 349 TYR B CE1 2547 C CE2 . TYR B 112 ? 0.8799 0.7851 0.7015 0.0324 0.1331 -0.0857 349 TYR B CE2 2548 C CZ . TYR B 112 ? 1.0076 0.9645 0.8291 0.0424 0.1330 -0.0967 349 TYR B CZ 2549 O OH . TYR B 112 ? 0.9010 0.8616 0.7129 0.0265 0.1469 -0.0839 349 TYR B OH 2550 N N . THR B 113 ? 0.5777 0.5339 0.5173 0.1036 0.0292 -0.1816 350 THR B N 2551 C CA . THR B 113 ? 0.6125 0.5697 0.5810 0.1102 0.0092 -0.1929 350 THR B CA 2552 C C . THR B 113 ? 0.9182 0.9050 0.8661 0.1275 0.0148 -0.1926 350 THR B C 2553 O O . THR B 113 ? 1.1566 1.1808 1.0785 0.1390 0.0199 -0.1932 350 THR B O 2554 C CB . THR B 113 ? 0.7316 0.7045 0.7409 0.1139 -0.0235 -0.2174 350 THR B CB 2555 O OG1 . THR B 113 ? 0.5896 0.6077 0.5893 0.1297 -0.0320 -0.2346 350 THR B OG1 2556 C CG2 . THR B 113 ? 0.5352 0.4751 0.5650 0.0972 -0.0267 -0.2096 350 THR B CG2 2557 N N . LEU B 114 ? 1.0106 0.9814 0.9708 0.1298 0.0153 -0.1877 351 LEU B N 2558 C CA . LEU B 114 ? 0.8295 0.8254 0.7690 0.1486 0.0235 -0.1810 351 LEU B CA 2559 C C . LEU B 114 ? 0.9330 0.9513 0.9100 0.1621 -0.0055 -0.2047 351 LEU B C 2560 O O . LEU B 114 ? 0.9773 0.9679 0.9940 0.1503 -0.0126 -0.2001 351 LEU B O 2561 C CB . LEU B 114 ? 0.9108 0.8683 0.8301 0.1406 0.0550 -0.1456 351 LEU B CB 2562 C CG . LEU B 114 ? 0.9296 0.8702 0.8063 0.1299 0.0848 -0.1237 351 LEU B CG 2563 C CD1 . LEU B 114 ? 0.5517 0.4482 0.4118 0.1188 0.1124 -0.0883 351 LEU B CD1 2564 C CD2 . LEU B 114 ? 0.7797 0.7667 0.6288 0.1402 0.0892 -0.1195 351 LEU B CD2 2565 N N . PRO B 115 ? 0.6107 0.6814 0.5774 0.1822 -0.0226 -0.2235 352 PRO B N 2566 C CA . PRO B 115 ? 0.6368 0.7383 0.6362 0.1980 -0.0535 -0.2518 352 PRO B CA 2567 C C . PRO B 115 ? 0.9822 1.0818 0.9908 0.1966 -0.0431 -0.2200 352 PRO B C 2568 O O . PRO B 115 ? 1.0047 1.0899 0.9787 0.1955 -0.0103 -0.1820 352 PRO B O 2569 C CB . PRO B 115 ? 0.5221 0.6821 0.4895 0.2191 -0.0654 -0.2668 352 PRO B CB 2570 C CG . PRO B 115 ? 0.9368 1.0967 0.8532 0.2178 -0.0315 -0.2332 352 PRO B CG 2571 C CD . PRO B 115 ? 0.6620 0.7674 0.5841 0.1916 -0.0115 -0.2159 352 PRO B CD 2572 N N . PRO B 116 ? 0.9026 1.0166 0.9613 0.1959 -0.0716 -0.2351 353 PRO B N 2573 C CA . PRO B 116 ? 0.8145 0.9417 0.8947 0.1974 -0.0699 -0.2110 353 PRO B CA 2574 C C . PRO B 116 ? 0.8373 1.0025 0.8677 0.2211 -0.0536 -0.1896 353 PRO B C 2575 O O . PRO B 116 ? 0.9957 1.2016 0.9899 0.2416 -0.0625 -0.2090 353 PRO B O 2576 C CB . PRO B 116 ? 0.9291 1.0905 1.0624 0.2007 -0.1146 -0.2495 353 PRO B CB 2577 C CG . PRO B 116 ? 0.6410 0.7770 0.7972 0.1897 -0.1331 -0.2831 353 PRO B CG 2578 C CD . PRO B 116 ? 0.8243 0.9446 0.9280 0.1938 -0.1107 -0.2813 353 PRO B CD 2579 N N . SER B 117 ? 0.7848 0.9376 0.8139 0.2201 -0.0296 -0.1491 354 SER B N 2580 C CA . SER B 117 ? 0.9579 1.1454 0.9492 0.2441 -0.0162 -0.1244 354 SER B CA 2581 C C . SER B 117 ? 0.8396 1.0930 0.8531 0.2630 -0.0554 -0.1524 354 SER B C 2582 O O . SER B 117 ? 0.8240 1.0849 0.8959 0.2521 -0.0855 -0.1767 354 SER B O 2583 C CB . SER B 117 ? 0.7649 0.9239 0.7643 0.2399 0.0125 -0.0802 354 SER B CB 2584 O OG . SER B 117 ? 1.1232 1.3080 1.0843 0.2645 0.0288 -0.0517 354 SER B OG 2585 N N . ARG B 118 ? 0.6133 0.9149 0.5807 0.2905 -0.0562 -0.1499 355 ARG B N 2586 C CA . ARG B 118 ? 0.6869 1.0566 0.6682 0.3118 -0.0927 -0.1722 355 ARG B CA 2587 C C . ARG B 118 ? 0.9270 1.3047 0.9698 0.3050 -0.1043 -0.1585 355 ARG B C 2588 O O . ARG B 118 ? 0.7821 1.1965 0.8735 0.3039 -0.1440 -0.1900 355 ARG B O 2589 C CB . ARG B 118 ? 0.7498 1.1648 0.6681 0.3437 -0.0804 -0.1506 355 ARG B CB 2590 C CG . ARG B 118 ? 0.9377 1.3700 0.7983 0.3566 -0.0757 -0.1678 355 ARG B CG 2591 C CD . ARG B 118 ? 1.2985 1.7946 1.1591 0.3753 -0.1201 -0.2199 355 ARG B CD 2592 N NE . ARG B 118 ? 1.5657 2.1084 1.3566 0.4038 -0.1119 -0.2191 355 ARG B NE 2593 C CZ . ARG B 118 ? 1.8530 2.4530 1.6304 0.4243 -0.1422 -0.2596 355 ARG B CZ 2594 N NH1 . ARG B 118 ? 1.8871 2.5001 1.7149 0.4187 -0.1836 -0.3084 355 ARG B NH1 2595 N NH2 . ARG B 118 ? 1.9949 2.6221 1.7388 0.4396 -0.1232 -0.2398 355 ARG B NH2 2596 N N . ASP B 119 ? 0.8517 1.1943 0.8943 0.2998 -0.0688 -0.1121 356 ASP B N 2597 C CA . ASP B 119 ? 0.7826 1.1392 0.8774 0.2989 -0.0721 -0.0909 356 ASP B CA 2598 C C . ASP B 119 ? 0.7927 1.1342 0.9653 0.2708 -0.0929 -0.1100 356 ASP B C 2599 O O . ASP B 119 ? 1.1207 1.4806 1.3461 0.2680 -0.0974 -0.0940 356 ASP B O 2600 C CB . ASP B 119 ? 0.8551 1.1728 0.9243 0.3032 -0.0251 -0.0379 356 ASP B CB 2601 C CG . ASP B 119 ? 1.2582 1.6013 1.2647 0.3346 -0.0084 -0.0115 356 ASP B CG 2602 O OD1 . ASP B 119 ? 1.0773 1.4786 1.0630 0.3550 -0.0350 -0.0321 356 ASP B OD1 2603 O OD2 . ASP B 119 ? 1.2940 1.5978 1.2715 0.3396 0.0312 0.0299 356 ASP B OD2 2604 N N . GLU B 120 ? 0.8055 1.1160 0.9885 0.2510 -0.1052 -0.1420 357 GLU B N 2605 C CA . GLU B 120 ? 0.7548 1.0437 1.0106 0.2232 -0.1222 -0.1555 357 GLU B CA 2606 C C . GLU B 120 ? 0.8869 1.2174 1.1827 0.2229 -0.1737 -0.2064 357 GLU B C 2607 O O . GLU B 120 ? 0.9264 1.2497 1.2927 0.2009 -0.1966 -0.2218 357 GLU B O 2608 C CB . GLU B 120 ? 0.7562 0.9759 1.0024 0.2003 -0.1009 -0.1533 357 GLU B CB 2609 C CG . GLU B 120 ? 0.8220 1.0086 1.1374 0.1712 -0.1036 -0.1473 357 GLU B CG 2610 C CD . GLU B 120 ? 1.1622 1.2832 1.4598 0.1520 -0.0814 -0.1408 357 GLU B CD 2611 O OE1 . GLU B 120 ? 1.2017 1.3077 1.4461 0.1583 -0.0751 -0.1539 357 GLU B OE1 2612 O OE2 . GLU B 120 ? 1.0510 1.1394 1.3884 0.1310 -0.0701 -0.1211 357 GLU B OE2 2613 N N . LEU B 121 ? 0.8746 1.2487 1.1254 0.2475 -0.1921 -0.2324 358 LEU B N 2614 C CA . LEU B 121 ? 1.0296 1.4421 1.3103 0.2499 -0.2428 -0.2875 358 LEU B CA 2615 C C . LEU B 121 ? 0.8682 1.3316 1.2148 0.2482 -0.2750 -0.2921 358 LEU B C 2616 O O . LEU B 121 ? 1.0954 1.5855 1.4851 0.2430 -0.3209 -0.3385 358 LEU B O 2617 C CB . LEU B 121 ? 1.2477 1.6983 1.4578 0.2793 -0.2530 -0.3154 358 LEU B CB 2618 C CG . LEU B 121 ? 0.9804 1.3919 1.1491 0.2773 -0.2410 -0.3358 358 LEU B CG 2619 C CD1 . LEU B 121 ? 0.8613 1.2220 1.0888 0.2485 -0.2567 -0.3620 358 LEU B CD1 2620 C CD2 . LEU B 121 ? 1.0582 1.4345 1.1699 0.2792 -0.1893 -0.2890 358 LEU B CD2 2621 N N . THR B 122 ? 1.0777 1.5540 1.4352 0.2522 -0.2514 -0.2448 359 THR B N 2622 C CA . THR B 122 ? 1.1797 1.7056 1.6090 0.2483 -0.2774 -0.2418 359 THR B CA 2623 C C . THR B 122 ? 1.0641 1.5605 1.5825 0.2115 -0.2941 -0.2549 359 THR B C 2624 O O . THR B 122 ? 0.7425 1.2780 1.3295 0.2006 -0.3296 -0.2722 359 THR B O 2625 C CB . THR B 122 ? 0.9002 1.4418 1.3261 0.2618 -0.2427 -0.1838 359 THR B CB 2626 O OG1 . THR B 122 ? 0.8798 1.3568 1.3160 0.2421 -0.1998 -0.1464 359 THR B OG1 2627 C CG2 . THR B 122 ? 0.7999 1.3640 1.1391 0.2978 -0.2233 -0.1644 359 THR B CG2 2628 N N . LYS B 123 ? 0.8751 1.3003 1.3897 0.1909 -0.2672 -0.2441 360 LYS B N 2629 C CA . LYS B 123 ? 0.8503 1.2405 1.4454 0.1561 -0.2743 -0.2444 360 LYS B CA 2630 C C . LYS B 123 ? 0.8384 1.2113 1.4679 0.1400 -0.3162 -0.2993 360 LYS B C 2631 O O . LYS B 123 ? 0.7091 1.0962 1.2949 0.1568 -0.3391 -0.3412 360 LYS B O 2632 C CB . LYS B 123 ? 0.5492 0.8726 1.1262 0.1421 -0.2252 -0.2023 360 LYS B CB 2633 C CG . LYS B 123 ? 0.7063 1.0256 1.2135 0.1640 -0.1798 -0.1596 360 LYS B CG 2634 C CD . LYS B 123 ? 0.6308 0.9919 1.1693 0.1733 -0.1675 -0.1225 360 LYS B CD 2635 C CE . LYS B 123 ? 0.6815 0.9951 1.2106 0.1657 -0.1174 -0.0744 360 LYS B CE 2636 N NZ . LYS B 123 ? 0.7329 0.9928 1.2972 0.1337 -0.1147 -0.0787 360 LYS B NZ 2637 N N . ASN B 124 ? 0.8617 1.2010 1.5676 0.1078 -0.3233 -0.2967 361 ASN B N 2638 C CA . ASN B 124 ? 0.9951 1.2901 1.7193 0.0894 -0.3486 -0.3362 361 ASN B CA 2639 C C . ASN B 124 ? 1.0397 1.2668 1.7731 0.0715 -0.3298 -0.3254 361 ASN B C 2640 O O . ASN B 124 ? 0.9193 1.0972 1.6801 0.0541 -0.3390 -0.3384 361 ASN B O 2641 C CB . ASN B 124 ? 1.0932 1.3974 1.8881 0.0673 -0.3702 -0.3384 361 ASN B CB 2642 C CG . ASN B 124 ? 1.2055 1.5245 2.0652 0.0488 -0.3501 -0.2881 361 ASN B CG 2643 O OD1 . ASN B 124 ? 1.3834 1.6771 2.2507 0.0425 -0.3188 -0.2533 361 ASN B OD1 2644 N ND2 . ASN B 124 ? 0.9822 1.3456 1.8887 0.0415 -0.3659 -0.2830 361 ASN B ND2 2645 N N . GLN B 125 ? 1.1364 1.3464 1.8207 0.0796 -0.2889 -0.2890 362 GLN B N 2646 C CA . GLN B 125 ? 0.6272 0.7706 1.2823 0.0699 -0.2628 -0.2767 362 GLN B CA 2647 C C . GLN B 125 ? 0.9608 1.1004 1.5204 0.0931 -0.2258 -0.2574 362 GLN B C 2648 O O . GLN B 125 ? 0.8857 1.0549 1.4174 0.1072 -0.2036 -0.2279 362 GLN B O 2649 C CB . GLN B 125 ? 1.1348 1.2416 1.8406 0.0426 -0.2385 -0.2326 362 GLN B CB 2650 C CG . GLN B 125 ? 1.1854 1.2755 1.9854 0.0141 -0.2708 -0.2486 362 GLN B CG 2651 C CD . GLN B 125 ? 1.2726 1.3035 2.0949 -0.0096 -0.2446 -0.2124 362 GLN B CD 2652 O OE1 . GLN B 125 ? 1.3061 1.3260 2.1011 -0.0101 -0.2023 -0.1654 362 GLN B OE1 2653 N NE2 . GLN B 125 ? 1.2170 1.2072 2.0445 -0.0137 -0.2533 -0.2195 362 GLN B NE2 2654 N N . VAL B 126 ? 1.0627 1.4573 1.6210 0.0134 -0.0808 -0.2557 363 VAL B N 2655 C CA . VAL B 126 ? 0.6725 1.0914 1.1886 0.0236 -0.0699 -0.2412 363 VAL B CA 2656 C C . VAL B 126 ? 0.7099 1.0932 1.2138 0.0216 -0.0491 -0.2184 363 VAL B C 2657 O O . VAL B 126 ? 1.1388 1.4869 1.6633 0.0160 -0.0461 -0.2261 363 VAL B O 2658 C CB . VAL B 126 ? 0.3199 0.7853 0.8165 0.0378 -0.0834 -0.2769 363 VAL B CB 2659 C CG1 . VAL B 126 ? 0.3031 0.7717 0.7748 0.0467 -0.0704 -0.2770 363 VAL B CG1 2660 C CG2 . VAL B 126 ? 0.3883 0.9037 0.8613 0.0451 -0.0924 -0.2692 363 VAL B CG2 2661 N N . SER B 127 ? 0.4185 0.8096 0.8909 0.0261 -0.0361 -0.1887 364 SER B N 2662 C CA . SER B 127 ? 0.5501 0.9064 1.0084 0.0236 -0.0182 -0.1641 364 SER B CA 2663 C C . SER B 127 ? 0.4016 0.7717 0.8339 0.0328 -0.0122 -0.1674 364 SER B C 2664 O O . SER B 127 ? 0.4277 0.8351 0.8365 0.0419 -0.0122 -0.1606 364 SER B O 2665 C CB . SER B 127 ? 0.5376 0.8822 0.9841 0.0210 -0.0073 -0.1268 364 SER B CB 2666 O OG . SER B 127 ? 0.6764 1.0110 1.1456 0.0139 -0.0102 -0.1215 364 SER B OG 2667 N N . LEU B 128 ? 0.4575 0.7988 0.8961 0.0306 -0.0070 -0.1752 365 LEU B N 2668 C CA . LEU B 128 ? 0.2308 0.5774 0.6482 0.0378 0.0011 -0.1735 365 LEU B CA 2669 C C . LEU B 128 ? 0.6104 0.9218 1.0145 0.0317 0.0151 -0.1380 365 LEU B C 2670 O O . LEU B 128 ? 0.4682 0.7431 0.8848 0.0225 0.0179 -0.1284 365 LEU B O 2671 C CB . LEU B 128 ? 0.5032 0.8395 0.9411 0.0398 -0.0040 -0.2059 365 LEU B CB 2672 C CG . LEU B 128 ? 0.7172 1.0896 1.1703 0.0477 -0.0212 -0.2490 365 LEU B CG 2673 C CD1 . LEU B 128 ? 0.5089 0.8715 0.9881 0.0523 -0.0283 -0.2870 365 LEU B CD1 2674 C CD2 . LEU B 128 ? 0.5631 0.9924 0.9818 0.0616 -0.0227 -0.2512 365 LEU B CD2 2675 N N . THR B 129 ? 0.2557 0.5805 0.6356 0.0373 0.0229 -0.1187 366 THR B N 2676 C CA . THR B 129 ? 0.2296 0.5266 0.5978 0.0324 0.0326 -0.0878 366 THR B CA 2677 C C . THR B 129 ? 0.5172 0.8074 0.8756 0.0347 0.0391 -0.0821 366 THR B C 2678 O O . THR B 129 ? 0.4509 0.7724 0.8015 0.0432 0.0405 -0.0867 366 THR B O 2679 C CB . THR B 129 ? 0.5472 0.8641 0.9047 0.0351 0.0345 -0.0637 366 THR B CB 2680 O OG1 . THR B 129 ? 0.5037 0.8194 0.8716 0.0321 0.0296 -0.0640 366 THR B OG1 2681 C CG2 . THR B 129 ? 0.4986 0.7928 0.8446 0.0320 0.0419 -0.0383 366 THR B CG2 2682 N N . CYS B 130 ? 0.3331 0.5851 0.6917 0.0277 0.0429 -0.0721 367 CYS B N 2683 C CA . CYS B 130 ? 0.3815 0.6269 0.7328 0.0288 0.0477 -0.0639 367 CYS B CA 2684 C C . CYS B 130 ? 0.5047 0.7320 0.8437 0.0238 0.0509 -0.0392 367 CYS B C 2685 O O . CYS B 130 ? 0.2164 0.4111 0.5562 0.0173 0.0511 -0.0348 367 CYS B O 2686 C CB . CYS B 130 ? 1.0528 1.2694 1.4188 0.0252 0.0469 -0.0770 367 CYS B CB 2687 S SG . CYS B 130 ? 0.6427 0.8591 1.0055 0.0291 0.0513 -0.0721 367 CYS B SG 2688 N N . LEU B 131 ? 0.3387 0.5890 0.6691 0.0272 0.0531 -0.0242 368 LEU B N 2689 C CA . LEU B 131 ? 0.2985 0.5284 0.6224 0.0216 0.0537 -0.0049 368 LEU B CA 2690 C C . LEU B 131 ? 0.5232 0.7405 0.8473 0.0192 0.0551 0.0005 368 LEU B C 2691 O O . LEU B 131 ? 0.4878 0.7334 0.8129 0.0240 0.0572 0.0004 368 LEU B O 2692 C CB . LEU B 131 ? 0.2456 0.5044 0.5676 0.0244 0.0534 0.0090 368 LEU B CB 2693 C CG . LEU B 131 ? 0.5020 0.7468 0.8235 0.0200 0.0530 0.0324 368 LEU B CG 2694 C CD1 . LEU B 131 ? 0.2843 0.4878 0.6079 0.0149 0.0507 0.0404 368 LEU B CD1 2695 C CD2 . LEU B 131 ? 0.3695 0.6470 0.6916 0.0238 0.0527 0.0483 368 LEU B CD2 2696 N N . VAL B 132 ? 0.3043 0.4828 0.6290 0.0129 0.0542 0.0053 369 VAL B N 2697 C CA . VAL B 132 ? 0.4024 0.5655 0.7303 0.0099 0.0539 0.0118 369 VAL B CA 2698 C C . VAL B 132 ? 0.3942 0.5369 0.7226 0.0048 0.0510 0.0298 369 VAL B C 2699 O O . VAL B 132 ? 0.6608 0.7767 0.9909 0.0020 0.0501 0.0307 369 VAL B O 2700 C CB . VAL B 132 ? 0.4836 0.6213 0.8184 0.0079 0.0542 0.0015 369 VAL B CB 2701 C CG1 . VAL B 132 ? 0.3536 0.4811 0.6954 0.0063 0.0533 0.0077 369 VAL B CG1 2702 C CG2 . VAL B 132 ? 0.5379 0.6885 0.8794 0.0119 0.0548 -0.0175 369 VAL B CG2 2703 N N . LYS B 133 ? 0.3378 0.4955 0.6683 0.0042 0.0492 0.0446 370 LYS B N 2704 C CA . LYS B 133 ? 0.3252 0.4640 0.6631 -0.0007 0.0437 0.0620 370 LYS B CA 2705 C C . LYS B 133 ? 0.6435 0.7782 0.9900 -0.0050 0.0388 0.0748 370 LYS B C 2706 O O . LYS B 133 ? 0.6278 0.7830 0.9741 -0.0032 0.0415 0.0758 370 LYS B O 2707 C CB . LYS B 133 ? 0.2695 0.4237 0.6100 0.0005 0.0425 0.0751 370 LYS B CB 2708 C CG . LYS B 133 ? 0.4966 0.6888 0.8345 0.0038 0.0454 0.0829 370 LYS B CG 2709 C CD . LYS B 133 ? 0.6284 0.8314 0.9741 0.0032 0.0422 0.1063 370 LYS B CD 2710 C CE . LYS B 133 ? 0.5541 0.7319 0.9176 -0.0042 0.0333 0.1268 370 LYS B CE 2711 N NZ . LYS B 133 ? 0.7528 0.9537 1.1257 -0.0050 0.0315 0.1543 370 LYS B NZ 2712 N N . GLY B 134 ? 0.4490 0.5590 0.8057 -0.0104 0.0308 0.0838 371 GLY B N 2713 C CA . GLY B 134 ? 0.4624 0.5691 0.8304 -0.0156 0.0224 0.0985 371 GLY B CA 2714 C C . GLY B 134 ? 0.3456 0.4364 0.7158 -0.0181 0.0182 0.0934 371 GLY B C 2715 O O . GLY B 134 ? 0.6321 0.7211 1.0119 -0.0221 0.0100 0.1044 371 GLY B O 2716 N N . PHE B 135 ? 0.4650 0.5455 0.8282 -0.0157 0.0231 0.0788 372 PHE B N 2717 C CA . PHE B 135 ? 0.3290 0.3987 0.6953 -0.0171 0.0202 0.0764 372 PHE B CA 2718 C C . PHE B 135 ? 0.2964 0.3423 0.6655 -0.0235 0.0094 0.0786 372 PHE B C 2719 O O . PHE B 135 ? 0.6107 0.6421 0.9766 -0.0261 0.0057 0.0771 372 PHE B O 2720 C CB . PHE B 135 ? 0.7328 0.8053 1.0938 -0.0117 0.0302 0.0625 372 PHE B CB 2721 C CG . PHE B 135 ? 0.5208 0.5843 0.8749 -0.0098 0.0362 0.0525 372 PHE B CG 2722 C CD1 . PHE B 135 ? 0.6351 0.6819 0.9911 -0.0123 0.0354 0.0530 372 PHE B CD1 2723 C CD2 . PHE B 135 ? 0.6859 0.7613 1.0321 -0.0058 0.0428 0.0433 372 PHE B CD2 2724 C CE1 . PHE B 135 ? 0.4947 0.5374 0.8466 -0.0099 0.0434 0.0460 372 PHE B CE1 2725 C CE2 . PHE B 135 ? 0.5436 0.6119 0.8855 -0.0042 0.0476 0.0355 372 PHE B CE2 2726 C CZ . PHE B 135 ? 0.5229 0.5752 0.8684 -0.0056 0.0489 0.0374 372 PHE B CZ 2727 N N . TYR B 136 ? 0.4919 0.5321 0.8643 -0.0258 0.0035 0.0814 373 TYR B N 2728 C CA . TYR B 136 ? 0.3112 0.3277 0.6762 -0.0316 -0.0093 0.0822 373 TYR B CA 2729 C C . TYR B 136 ? 0.5321 0.5551 0.9070 -0.0320 -0.0110 0.0878 373 TYR B C 2730 O O . TYR B 136 ? 0.2756 0.3161 0.6621 -0.0287 -0.0089 0.0926 373 TYR B O 2731 C CB . TYR B 136 ? 0.5459 0.5503 0.9158 -0.0388 -0.0274 0.0886 373 TYR B CB 2732 C CG . TYR B 136 ? 0.2532 0.2292 0.5974 -0.0391 -0.0421 0.0803 373 TYR B CG 2733 C CD1 . TYR B 136 ? 0.4539 0.4084 0.7759 -0.0351 -0.0453 0.0681 373 TYR B CD1 2734 C CD2 . TYR B 136 ? 0.3580 0.3313 0.6989 -0.0414 -0.0520 0.0837 373 TYR B CD2 2735 C CE1 . TYR B 136 ? 0.3164 0.2488 0.6107 -0.0323 -0.0577 0.0571 373 TYR B CE1 2736 C CE2 . TYR B 136 ? 0.5406 0.4932 0.8533 -0.0399 -0.0654 0.0750 373 TYR B CE2 2737 C CZ . TYR B 136 ? 0.3150 0.2477 0.6029 -0.0349 -0.0680 0.0605 373 TYR B CZ 2738 O OH . TYR B 136 ? 0.7412 0.6565 0.9970 -0.0309 -0.0814 0.0491 373 TYR B OH 2739 N N . PRO B 137 ? 0.3493 0.3579 0.7066 -0.0303 -0.0133 0.0856 374 PRO B N 2740 C CA . PRO B 137 ? 0.6832 0.6743 1.0088 -0.0259 -0.0107 0.0763 374 PRO B CA 2741 C C . PRO B 137 ? 0.8383 0.8370 1.1647 -0.0203 0.0078 0.0693 374 PRO B C 2742 O O . PRO B 137 ? 0.5153 0.5314 0.8644 -0.0201 0.0161 0.0687 374 PRO B O 2743 C CB . PRO B 137 ? 0.6266 0.6109 0.9376 -0.0248 -0.0171 0.0816 374 PRO B CB 2744 C CG . PRO B 137 ? 0.4682 0.4679 0.8092 -0.0262 -0.0136 0.0918 374 PRO B CG 2745 C CD . PRO B 137 ? 0.3125 0.3263 0.6811 -0.0301 -0.0153 0.0938 374 PRO B CD 2746 N N . SER B 138 ? 0.5653 0.5543 0.8686 -0.0153 0.0137 0.0637 375 SER B N 2747 C CA . SER B 138 ? 0.5041 0.5016 0.8126 -0.0112 0.0291 0.0575 375 SER B CA 2748 C C . SER B 138 ? 0.4904 0.4963 0.8139 -0.0101 0.0398 0.0616 375 SER B C 2749 O O . SER B 138 ? 0.6755 0.6894 1.0101 -0.0082 0.0506 0.0567 375 SER B O 2750 C CB . SER B 138 ? 0.3791 0.3661 0.6627 -0.0055 0.0319 0.0499 375 SER B CB 2751 O OG . SER B 138 ? 0.7379 0.7159 0.9965 -0.0016 0.0302 0.0520 375 SER B OG 2752 N N . ASP B 139 ? 0.4315 0.4355 0.7597 -0.0118 0.0353 0.0716 376 ASP B N 2753 C CA . ASP B 139 ? 0.2678 0.2783 0.6210 -0.0117 0.0430 0.0779 376 ASP B CA 2754 C C . ASP B 139 ? 0.3922 0.4138 0.7739 -0.0116 0.0450 0.0689 376 ASP B C 2755 O O . ASP B 139 ? 0.5524 0.5781 0.9363 -0.0119 0.0379 0.0679 376 ASP B O 2756 C CB . ASP B 139 ? 0.4795 0.4864 0.8333 -0.0128 0.0354 0.0927 376 ASP B CB 2757 C CG . ASP B 139 ? 0.7996 0.7990 1.1154 -0.0103 0.0304 0.0994 376 ASP B CG 2758 O OD1 . ASP B 139 ? 0.7648 0.7564 1.0547 -0.0100 0.0209 0.0912 376 ASP B OD1 2759 O OD2 . ASP B 139 ? 1.0459 1.0482 1.3588 -0.0082 0.0352 0.1132 376 ASP B OD2 2760 N N . ILE B 140 ? 0.4470 0.4703 0.8358 -0.0074 0.0518 0.0597 377 ILE B N 2761 C CA . ILE B 140 ? 0.3038 0.3314 0.6977 -0.0043 0.0516 0.0449 377 ILE B CA 2762 C C . ILE B 140 ? 0.6005 0.6237 1.0065 -0.0031 0.0567 0.0380 377 ILE B C 2763 O O . ILE B 140 ? 0.3948 0.4149 0.8017 -0.0037 0.0611 0.0463 377 ILE B O 2764 C CB . ILE B 140 ? 0.3543 0.3908 0.7306 -0.0045 0.0514 0.0366 377 ILE B CB 2765 C CG1 . ILE B 140 ? 0.4902 0.5388 0.8680 -0.0023 0.0506 0.0255 377 ILE B CG1 2766 C CG2 . ILE B 140 ? 0.4196 0.4561 0.7874 -0.0042 0.0571 0.0313 377 ILE B CG2 2767 C CD1 . ILE B 140 ? 0.2029 0.2662 0.5656 -0.0019 0.0501 0.0232 377 ILE B CD1 2768 N N . ALA B 141 ? 0.3925 0.4178 0.8098 -0.0019 0.0559 0.0231 378 ALA B N 2769 C CA . ALA B 141 ? 0.2487 0.2683 0.6874 -0.0021 0.0576 0.0149 378 ALA B CA 2770 C C . ALA B 141 ? 0.6406 0.6716 1.0817 -0.0017 0.0557 -0.0076 378 ALA B C 2771 O O . ALA B 141 ? 0.4494 0.4897 0.8933 0.0008 0.0535 -0.0168 378 ALA B O 2772 C CB . ALA B 141 ? 0.2061 0.2146 0.6764 -0.0004 0.0560 0.0227 378 ALA B CB 2773 N N . VAL B 142 ? 0.6262 0.6615 1.0662 -0.0029 0.0566 -0.0164 379 VAL B N 2774 C CA . VAL B 142 ? 0.5560 0.6092 0.9961 -0.0013 0.0537 -0.0377 379 VAL B CA 2775 C C . VAL B 142 ? 0.5382 0.5861 1.0124 -0.0030 0.0506 -0.0525 379 VAL B C 2776 O O . VAL B 142 ? 0.5890 0.6240 1.0760 -0.0058 0.0525 -0.0422 379 VAL B O 2777 C CB . VAL B 142 ? 0.3718 0.4396 0.7839 -0.0008 0.0549 -0.0358 379 VAL B CB 2778 C CG1 . VAL B 142 ? 0.3841 0.4791 0.7902 0.0040 0.0520 -0.0526 379 VAL B CG1 2779 C CG2 . VAL B 142 ? 0.1809 0.2454 0.5700 -0.0007 0.0570 -0.0184 379 VAL B CG2 2780 N N . GLU B 143 ? 0.4281 0.4883 0.9190 -0.0001 0.0455 -0.0766 380 GLU B N 2781 C CA . GLU B 143 ? 0.4656 0.5210 0.9969 -0.0016 0.0393 -0.0968 380 GLU B CA 2782 C C . GLU B 143 ? 0.6556 0.7385 1.1887 0.0043 0.0327 -0.1283 380 GLU B C 2783 O O . GLU B 143 ? 0.3559 0.4606 0.8639 0.0118 0.0342 -0.1336 380 GLU B O 2784 C CB . GLU B 143 ? 0.3583 0.3906 0.9310 -0.0035 0.0371 -0.0957 380 GLU B CB 2785 C CG . GLU B 143 ? 0.7298 0.7390 1.3082 -0.0049 0.0426 -0.0648 380 GLU B CG 2786 C CD . GLU B 143 ? 1.1660 1.1656 1.7729 -0.0034 0.0401 -0.0550 380 GLU B CD 2787 O OE1 . GLU B 143 ? 1.0151 1.0189 1.6429 -0.0047 0.0345 -0.0743 380 GLU B OE1 2788 O OE2 . GLU B 143 ? 0.9404 0.9357 1.5505 -0.0008 0.0435 -0.0277 380 GLU B OE2 2789 N N . TRP B 144 ? 0.5474 0.6314 1.1110 0.0024 0.0250 -0.1484 381 TRP B N 2790 C CA . TRP B 144 ? 0.5069 0.6210 1.0722 0.0094 0.0165 -0.1814 381 TRP B CA 2791 C C . TRP B 144 ? 0.4041 0.5109 1.0208 0.0103 0.0047 -0.2134 381 TRP B C 2792 O O . TRP B 144 ? 0.5613 0.6376 1.2209 0.0027 0.0020 -0.2076 381 TRP B O 2793 C CB . TRP B 144 ? 0.7767 0.9032 1.3373 0.0067 0.0135 -0.1823 381 TRP B CB 2794 C CG . TRP B 144 ? 0.3860 0.5318 0.8992 0.0085 0.0208 -0.1620 381 TRP B CG 2795 C CD1 . TRP B 144 ? 0.3302 0.4627 0.8227 0.0030 0.0287 -0.1314 381 TRP B CD1 2796 C CD2 . TRP B 144 ? 0.3078 0.4912 0.7922 0.0178 0.0199 -0.1712 381 TRP B CD2 2797 N NE1 . TRP B 144 ? 0.3793 0.5350 0.8359 0.0072 0.0319 -0.1217 381 TRP B NE1 2798 C CE2 . TRP B 144 ? 0.3031 0.4912 0.7550 0.0160 0.0271 -0.1431 381 TRP B CE2 2799 C CE3 . TRP B 144 ? 0.5132 0.7294 0.9957 0.0292 0.0140 -0.2005 381 TRP B CE3 2800 C CZ2 . TRP B 144 ? 0.2752 0.4972 0.6988 0.0236 0.0287 -0.1389 381 TRP B CZ2 2801 C CZ3 . TRP B 144 ? 0.2878 0.5421 0.7360 0.0379 0.0169 -0.1961 381 TRP B CZ3 2802 C CH2 . TRP B 144 ? 0.4880 0.7442 0.9101 0.0342 0.0242 -0.1635 381 TRP B CH2 2803 N N . GLU B 145 ? 0.2880 0.4238 0.9016 0.0210 -0.0030 -0.2470 382 GLU B N 2804 C CA . GLU B 145 ? 0.3119 0.4457 0.9752 0.0224 -0.0177 -0.2820 382 GLU B CA 2805 C C . GLU B 145 ? 0.8085 0.9818 1.4565 0.0373 -0.0272 -0.3218 382 GLU B C 2806 O O . GLU B 145 ? 0.3259 0.5294 0.9229 0.0472 -0.0195 -0.3177 382 GLU B O 2807 C CB . GLU B 145 ? 0.3178 0.4351 0.9955 0.0226 -0.0147 -0.2733 382 GLU B CB 2808 C CG . GLU B 145 ? 0.5201 0.6589 1.1507 0.0378 -0.0064 -0.2753 382 GLU B CG 2809 C CD . GLU B 145 ? 1.1332 1.2557 1.7821 0.0398 -0.0047 -0.2698 382 GLU B CD 2810 O OE1 . GLU B 145 ? 1.1109 1.2069 1.7716 0.0292 0.0013 -0.2380 382 GLU B OE1 2811 O OE2 . GLU B 145 ? 0.7734 0.9111 1.4247 0.0530 -0.0095 -0.2970 382 GLU B OE2 2812 N N . SER B 146 ? 0.3561 0.5341 1.0516 0.0390 -0.0452 -0.3581 383 SER B N 2813 C CA . SER B 146 ? 0.5481 0.7639 1.2285 0.0561 -0.0564 -0.4003 383 SER B CA 2814 C C . SER B 146 ? 0.5840 0.7967 1.3124 0.0614 -0.0725 -0.4301 383 SER B C 2815 O O . SER B 146 ? 0.4180 0.6073 1.2065 0.0514 -0.0795 -0.4215 383 SER B O 2816 C CB . SER B 146 ? 0.7716 1.0165 1.4451 0.0585 -0.0661 -0.4205 383 SER B CB 2817 O OG . SER B 146 ? 0.9067 1.1965 1.5261 0.0771 -0.0643 -0.4392 383 SER B OG 2818 N N . ASN B 147 ? 0.8262 1.0663 1.5258 0.0800 -0.0762 -0.4608 384 ASN B N 2819 C CA . ASN B 147 ? 0.7818 1.0184 1.5158 0.0891 -0.0891 -0.4893 384 ASN B CA 2820 C C . ASN B 147 ? 0.6885 0.8850 1.4616 0.0790 -0.0835 -0.4630 384 ASN B C 2821 O O . ASN B 147 ? 0.8994 1.0810 1.7300 0.0774 -0.0970 -0.4746 384 ASN B O 2822 C CB . ASN B 147 ? 1.4634 1.7092 2.2450 0.0907 -0.1126 -0.5221 384 ASN B CB 2823 C CG . ASN B 147 ? 1.8223 2.0781 2.6190 0.1076 -0.1276 -0.5635 384 ASN B CG 2824 O OD1 . ASN B 147 ? 1.6886 1.9178 2.5397 0.1046 -0.1360 -0.5659 384 ASN B OD1 2825 N ND2 . ASN B 147 ? 2.0567 2.3535 2.8051 0.1267 -0.1307 -0.5955 384 ASN B ND2 2826 N N . GLY B 148 ? 0.8181 0.9991 1.5614 0.0734 -0.0640 -0.4255 385 GLY B N 2827 C CA . GLY B 148 ? 0.7402 0.8883 1.5151 0.0651 -0.0584 -0.3986 385 GLY B CA 2828 C C . GLY B 148 ? 0.7581 0.8824 1.5858 0.0458 -0.0615 -0.3707 385 GLY B C 2829 O O . GLY B 148 ? 0.6068 0.7081 1.4517 0.0369 -0.0533 -0.3375 385 GLY B O 2830 N N . GLN B 149 ? 0.8119 0.9470 1.6660 0.0417 -0.0725 -0.3820 386 GLN B N 2831 C CA . GLN B 149 ? 0.6364 0.7584 1.5403 0.0294 -0.0723 -0.3518 386 GLN B CA 2832 C C . GLN B 149 ? 0.6746 0.7910 1.5332 0.0206 -0.0565 -0.3197 386 GLN B C 2833 O O . GLN B 149 ? 0.4601 0.5927 1.2712 0.0216 -0.0529 -0.3328 386 GLN B O 2834 C CB . GLN B 149 ? 0.7838 0.9129 1.7355 0.0356 -0.0905 -0.3763 386 GLN B CB 2835 C CG . GLN B 149 ? 1.7075 1.8203 2.7204 0.0390 -0.1045 -0.3859 386 GLN B CG 2836 C CD . GLN B 149 ? 1.5292 1.6307 2.5401 0.0403 -0.1003 -0.3840 386 GLN B CD 2837 O OE1 . GLN B 149 ? 1.1449 1.2559 2.1151 0.0477 -0.0978 -0.4037 386 GLN B OE1 2838 N NE2 . GLN B 149 ? 1.4701 1.5523 2.5208 0.0351 -0.0984 -0.3580 386 GLN B NE2 2839 N N . PRO B 150 ? 0.7237 0.8144 1.5883 0.0146 -0.0463 -0.2768 387 PRO B N 2840 C CA . PRO B 150 ? 0.6575 0.7378 1.4712 0.0096 -0.0307 -0.2455 387 PRO B CA 2841 C C . PRO B 150 ? 0.5225 0.6031 1.3305 0.0133 -0.0331 -0.2531 387 PRO B C 2842 O O . PRO B 150 ? 0.6099 0.6981 1.4616 0.0172 -0.0473 -0.2750 387 PRO B O 2843 C CB . PRO B 150 ? 0.6164 0.6712 1.4405 0.0071 -0.0203 -0.2008 387 PRO B CB 2844 C CG . PRO B 150 ? 0.6662 0.7188 1.5547 0.0087 -0.0318 -0.2069 387 PRO B CG 2845 C CD . PRO B 150 ? 0.4167 0.4897 1.3362 0.0143 -0.0496 -0.2562 387 PRO B CD 2846 N N . GLU B 151 ? 0.8335 0.9040 1.5921 0.0086 -0.0216 -0.2370 388 GLU B N 2847 C CA . GLU B 151 ? 0.4175 0.4921 1.1742 0.0074 -0.0229 -0.2393 388 GLU B CA 2848 C C . GLU B 151 ? 0.5299 0.5846 1.2802 -0.0004 -0.0113 -0.1928 388 GLU B C 2849 O O . GLU B 151 ? 0.6148 0.6543 1.3513 -0.0011 -0.0001 -0.1659 388 GLU B O 2850 C CB . GLU B 151 ? 0.4643 0.5662 1.1651 0.0050 -0.0204 -0.2477 388 GLU B CB 2851 C CG . GLU B 151 ? 0.3798 0.5144 1.0807 0.0139 -0.0335 -0.2946 388 GLU B CG 2852 C CD . GLU B 151 ? 0.8012 0.9506 1.5331 0.0196 -0.0498 -0.3253 388 GLU B CD 2853 O OE1 . GLU B 151 ? 0.7261 0.8993 1.4748 0.0314 -0.0636 -0.3679 388 GLU B OE1 2854 O OE2 . GLU B 151 ? 0.8253 0.9689 1.5602 0.0115 -0.0496 -0.3031 388 GLU B OE2 2855 N N . ASN B 152 ? 0.9214 0.9799 1.6796 -0.0063 -0.0145 -0.1829 389 ASN B N 2856 C CA . ASN B 152 ? 1.1344 1.1800 1.8876 -0.0129 -0.0036 -0.1405 389 ASN B CA 2857 C C . ASN B 152 ? 1.1065 1.1665 1.8241 -0.0195 0.0020 -0.1259 389 ASN B C 2858 O O . ASN B 152 ? 1.4160 1.4716 2.1179 -0.0231 0.0134 -0.0933 389 ASN B O 2859 C CB . ASN B 152 ? 1.1069 1.1415 1.9183 -0.0136 -0.0108 -0.1313 389 ASN B CB 2860 C CG . ASN B 152 ? 1.1396 1.1811 1.9971 -0.0095 -0.0298 -0.1696 389 ASN B CG 2861 O OD1 . ASN B 152 ? 0.8652 0.9238 1.7084 -0.0073 -0.0382 -0.2022 389 ASN B OD1 2862 N ND2 . ASN B 152 ? 1.3348 1.3666 2.2482 -0.0078 -0.0381 -0.1661 389 ASN B ND2 2863 N N . ASN B 153 ? 0.6231 0.7055 1.3290 -0.0193 -0.0063 -0.1509 390 ASN B N 2864 C CA . ASN B 153 ? 0.7048 0.8056 1.3790 -0.0232 -0.0013 -0.1366 390 ASN B CA 2865 C C . ASN B 153 ? 0.5642 0.6800 1.1860 -0.0194 0.0065 -0.1338 390 ASN B C 2866 O O . ASN B 153 ? 0.6633 0.8058 1.2685 -0.0159 0.0000 -0.1525 390 ASN B O 2867 C CB . ASN B 153 ? 0.6447 0.7657 1.3404 -0.0255 -0.0153 -0.1555 390 ASN B CB 2868 C CG . ASN B 153 ? 0.5465 0.6822 1.2236 -0.0297 -0.0088 -0.1324 390 ASN B CG 2869 O OD1 . ASN B 153 ? 1.4039 1.5589 2.0422 -0.0266 -0.0042 -0.1292 390 ASN B OD1 2870 N ND2 . ASN B 153 ? 0.6577 0.7864 1.3643 -0.0356 -0.0077 -0.1139 390 ASN B ND2 2871 N N . TYR B 154 ? 0.3642 0.4646 0.9609 -0.0192 0.0196 -0.1087 391 TYR B N 2872 C CA . TYR B 154 ? 0.2314 0.3417 0.7807 -0.0156 0.0273 -0.0997 391 TYR B CA 2873 C C . TYR B 154 ? 0.4733 0.5692 1.0043 -0.0171 0.0397 -0.0686 391 TYR B C 2874 O O . TYR B 154 ? 0.3474 0.4256 0.8987 -0.0193 0.0435 -0.0547 391 TYR B O 2875 C CB . TYR B 154 ? 0.3576 0.4664 0.8956 -0.0111 0.0268 -0.1122 391 TYR B CB 2876 C CG . TYR B 154 ? 0.3559 0.4366 0.9048 -0.0120 0.0322 -0.0996 391 TYR B CG 2877 C CD1 . TYR B 154 ? 0.5602 0.6274 1.1503 -0.0113 0.0257 -0.1154 391 TYR B CD1 2878 C CD2 . TYR B 154 ? 0.6791 0.7484 1.2007 -0.0123 0.0424 -0.0729 391 TYR B CD2 2879 C CE1 . TYR B 154 ? 0.7252 0.7695 1.3282 -0.0106 0.0303 -0.1006 391 TYR B CE1 2880 C CE2 . TYR B 154 ? 0.4112 0.4599 0.9436 -0.0121 0.0461 -0.0600 391 TYR B CE2 2881 C CZ . TYR B 154 ? 0.5787 0.6157 1.1511 -0.0111 0.0404 -0.0719 391 TYR B CZ 2882 O OH . TYR B 154 ? 0.3611 0.3808 0.9463 -0.0091 0.0437 -0.0558 391 TYR B OH 2883 N N . LYS B 155 ? 0.4392 0.5451 0.9333 -0.0142 0.0454 -0.0581 392 LYS B N 2884 C CA . LYS B 155 ? 0.4700 0.5654 0.9449 -0.0135 0.0562 -0.0344 392 LYS B CA 2885 C C . LYS B 155 ? 0.5837 0.6795 1.0231 -0.0093 0.0588 -0.0318 392 LYS B C 2886 O O . LYS B 155 ? 0.4316 0.5426 0.8591 -0.0065 0.0537 -0.0434 392 LYS B O 2887 C CB . LYS B 155 ? 0.3397 0.4475 0.8154 -0.0136 0.0597 -0.0250 392 LYS B CB 2888 C CG . LYS B 155 ? 0.5952 0.7012 1.1086 -0.0185 0.0594 -0.0191 392 LYS B CG 2889 C CD . LYS B 155 ? 0.8386 0.9363 1.3512 -0.0180 0.0716 0.0058 392 LYS B CD 2890 C CE . LYS B 155 ? 0.8742 0.9722 1.4276 -0.0227 0.0715 0.0160 392 LYS B CE 2891 N NZ . LYS B 155 ? 0.6782 0.7758 1.2320 -0.0213 0.0844 0.0430 392 LYS B NZ 2892 N N . THR B 156 ? 0.4229 0.5045 0.8482 -0.0082 0.0663 -0.0161 393 THR B N 2893 C CA . THR B 156 ? 0.6277 0.7074 1.0254 -0.0050 0.0674 -0.0129 393 THR B CA 2894 C C . THR B 156 ? 0.2102 0.2865 0.5903 -0.0018 0.0752 0.0013 393 THR B C 2895 O O . THR B 156 ? 0.3666 0.4374 0.7525 -0.0017 0.0825 0.0126 393 THR B O 2896 C CB . THR B 156 ? 0.5679 0.6349 0.9692 -0.0058 0.0659 -0.0135 393 THR B CB 2897 O OG1 . THR B 156 ? 0.6078 0.6824 1.0236 -0.0062 0.0590 -0.0312 393 THR B OG1 2898 C CG2 . THR B 156 ? 0.8524 0.9173 1.2299 -0.0033 0.0668 -0.0069 393 THR B CG2 2899 N N . THR B 157 ? 0.3179 0.4000 0.6795 0.0018 0.0740 0.0006 394 THR B N 2900 C CA . THR B 157 ? 0.2951 0.3728 0.6445 0.0064 0.0804 0.0098 394 THR B CA 2901 C C . THR B 157 ? 0.4240 0.4885 0.7691 0.0064 0.0835 0.0167 394 THR B C 2902 O O . THR B 157 ? 0.5245 0.5842 0.8712 0.0032 0.0785 0.0150 394 THR B O 2903 C CB . THR B 157 ? 0.2808 0.3664 0.6201 0.0102 0.0763 0.0079 394 THR B CB 2904 O OG1 . THR B 157 ? 0.2820 0.3641 0.6155 0.0089 0.0715 0.0083 394 THR B OG1 2905 C CG2 . THR B 157 ? 0.5578 0.6628 0.9022 0.0099 0.0707 0.0005 394 THR B CG2 2906 N N . PRO B 158 ? 0.3989 0.4606 0.7401 0.0114 0.0922 0.0241 395 PRO B N 2907 C CA . PRO B 158 ? 0.4889 0.5428 0.8280 0.0127 0.0944 0.0296 395 PRO B CA 2908 C C . PRO B 158 ? 0.5594 0.6096 0.8955 0.0119 0.0852 0.0259 395 PRO B C 2909 O O . PRO B 158 ? 0.8789 0.9346 1.2127 0.0124 0.0803 0.0215 395 PRO B O 2910 C CB . PRO B 158 ? 0.7123 0.7636 1.0353 0.0224 0.1031 0.0326 395 PRO B CB 2911 C CG . PRO B 158 ? 0.2100 0.2755 0.5450 0.0243 0.1123 0.0351 395 PRO B CG 2912 C CD . PRO B 158 ? 0.6698 0.7384 1.0099 0.0178 0.1016 0.0274 395 PRO B CD 2913 N N . PRO B 159 ? 0.6689 0.7049 0.9920 0.0093 0.0782 0.0296 396 PRO B N 2914 C CA . PRO B 159 ? 0.3321 0.3607 0.6484 0.0071 0.0669 0.0297 396 PRO B CA 2915 C C . PRO B 159 ? 0.7919 0.8059 1.0896 0.0131 0.0628 0.0271 396 PRO B C 2916 O O . PRO B 159 ? 0.5079 0.5103 0.7863 0.0192 0.0656 0.0246 396 PRO B O 2917 C CB . PRO B 159 ? 0.5765 0.5945 0.8867 0.0031 0.0612 0.0352 396 PRO B CB 2918 C CG . PRO B 159 ? 0.1962 0.2218 0.5205 0.0017 0.0698 0.0384 396 PRO B CG 2919 C CD . PRO B 159 ? 0.6955 0.7257 1.0165 0.0070 0.0799 0.0369 396 PRO B CD 2920 N N . VAL B 160 ? 0.5852 0.6015 0.8901 0.0127 0.0566 0.0280 397 VAL B N 2921 C CA . VAL B 160 ? 0.5585 0.5579 0.8537 0.0185 0.0506 0.0255 397 VAL B CA 2922 C C . VAL B 160 ? 0.7850 0.7689 1.0812 0.0130 0.0352 0.0303 397 VAL B C 2923 O O . VAL B 160 ? 0.5714 0.5688 0.8845 0.0062 0.0312 0.0399 397 VAL B O 2924 C CB . VAL B 160 ? 0.5678 0.5807 0.8770 0.0227 0.0536 0.0272 397 VAL B CB 2925 C CG1 . VAL B 160 ? 0.5886 0.5811 0.8897 0.0318 0.0498 0.0223 397 VAL B CG1 2926 C CG2 . VAL B 160 ? 0.5578 0.5938 0.8766 0.0247 0.0660 0.0245 397 VAL B CG2 2927 N N . LEU B 161 ? 0.7583 0.7161 1.0377 0.0165 0.0261 0.0233 398 LEU B N 2928 C CA . LEU B 161 ? 0.5266 0.4663 0.8121 0.0105 0.0082 0.0266 398 LEU B CA 2929 C C . LEU B 161 ? 0.3038 0.2474 0.6134 0.0090 0.0037 0.0364 398 LEU B C 2930 O O . LEU B 161 ? 0.8213 0.7549 1.1319 0.0171 0.0039 0.0314 398 LEU B O 2931 C CB . LEU B 161 ? 0.5510 0.4606 0.8141 0.0170 -0.0028 0.0118 398 LEU B CB 2932 C CG . LEU B 161 ? 0.5182 0.4059 0.7888 0.0094 -0.0251 0.0121 398 LEU B CG 2933 C CD1 . LEU B 161 ? 0.7121 0.6173 1.0001 -0.0035 -0.0278 0.0283 398 LEU B CD1 2934 C CD2 . LEU B 161 ? 0.5322 0.3993 0.7702 0.0162 -0.0336 -0.0060 398 LEU B CD2 2935 N N . ASP B 162 ? 0.6227 0.5835 0.9533 -0.0005 0.0003 0.0521 399 ASP B N 2936 C CA . ASP B 162 ? 0.6084 0.5781 0.9638 -0.0029 -0.0043 0.0677 399 ASP B CA 2937 C C . ASP B 162 ? 0.7220 0.6607 1.0907 -0.0071 -0.0242 0.0708 399 ASP B C 2938 O O . ASP B 162 ? 0.8835 0.7959 1.2382 -0.0076 -0.0347 0.0573 399 ASP B O 2939 C CB . ASP B 162 ? 0.2259 0.2319 0.5969 -0.0092 0.0016 0.0838 399 ASP B CB 2940 C CG . ASP B 162 ? 0.3022 0.3316 0.6897 -0.0071 0.0050 0.0987 399 ASP B CG 2941 O OD1 . ASP B 162 ? 0.5587 0.5702 0.9577 -0.0055 -0.0038 0.1048 399 ASP B OD1 2942 O OD2 . ASP B 162 ? 0.3746 0.4400 0.7641 -0.0059 0.0152 0.1039 399 ASP B OD2 2943 N N . SER B 163 ? 0.4633 0.4052 0.8601 -0.0096 -0.0306 0.0883 400 SER B N 2944 C CA . SER B 163 ? 0.6604 0.5779 1.0700 -0.0132 -0.0503 0.0883 400 SER B CA 2945 C C . SER B 163 ? 0.8523 0.7726 1.2694 -0.0245 -0.0640 0.0942 400 SER B C 2946 O O . SER B 163 ? 0.8459 0.7400 1.2624 -0.0266 -0.0818 0.0832 400 SER B O 2947 C CB . SER B 163 ? 0.5702 0.5003 1.0069 -0.0127 -0.0524 0.1071 400 SER B CB 2948 O OG . SER B 163 ? 0.8328 0.8015 1.2817 -0.0139 -0.0383 0.1294 400 SER B OG 2949 N N . ASP B 164 ? 0.6355 0.5882 1.0605 -0.0301 -0.0561 0.1103 401 ASP B N 2950 C CA . ASP B 164 ? 0.3499 0.3094 0.7849 -0.0381 -0.0680 0.1180 401 ASP B CA 2951 C C . ASP B 164 ? 0.5353 0.4808 0.9481 -0.0400 -0.0709 0.1017 401 ASP B C 2952 O O . ASP B 164 ? 0.7838 0.7422 1.2044 -0.0454 -0.0764 0.1100 401 ASP B O 2953 C CB . ASP B 164 ? 0.3736 0.3748 0.8281 -0.0400 -0.0598 0.1443 401 ASP B CB 2954 C CG . ASP B 164 ? 0.7680 0.7930 1.2065 -0.0363 -0.0401 0.1428 401 ASP B CG 2955 O OD1 . ASP B 164 ? 0.4027 0.4148 0.8210 -0.0346 -0.0337 0.1235 401 ASP B OD1 2956 O OD2 . ASP B 164 ? 0.9544 1.0113 1.3986 -0.0343 -0.0311 0.1606 401 ASP B OD2 2957 N N . GLY B 165 ? 0.6021 0.5226 0.9890 -0.0341 -0.0671 0.0808 402 GLY B N 2958 C CA . GLY B 165 ? 0.4525 0.3625 0.8198 -0.0353 -0.0689 0.0694 402 GLY B CA 2959 C C . GLY B 165 ? 0.7274 0.6652 1.0894 -0.0347 -0.0501 0.0743 402 GLY B C 2960 O O . GLY B 165 ? 0.5033 0.4379 0.8440 -0.0326 -0.0487 0.0651 402 GLY B O 2961 N N . SER B 166 ? 0.3948 0.3637 0.7731 -0.0346 -0.0362 0.0879 403 SER B N 2962 C CA . SER B 166 ? 0.5355 0.5319 0.9083 -0.0313 -0.0187 0.0870 403 SER B CA 2963 C C . SER B 166 ? 0.7801 0.7767 1.1320 -0.0216 -0.0043 0.0728 403 SER B C 2964 O O . SER B 166 ? 0.6062 0.5858 0.9486 -0.0165 -0.0059 0.0657 403 SER B O 2965 C CB . SER B 166 ? 0.2776 0.3099 0.6671 -0.0310 -0.0116 0.1026 403 SER B CB 2966 O OG . SER B 166 ? 0.9416 0.9902 1.3319 -0.0260 -0.0004 0.1035 403 SER B OG 2967 N N . PHE B 167 ? 0.3205 0.3362 0.6693 -0.0187 0.0090 0.0686 404 PHE B N 2968 C CA . PHE B 167 ? 0.3059 0.3253 0.6428 -0.0113 0.0218 0.0574 404 PHE B CA 2969 C C . PHE B 167 ? 0.7121 0.7632 1.0624 -0.0091 0.0322 0.0588 404 PHE B C 2970 O O . PHE B 167 ? 0.4590 0.5283 0.8152 -0.0105 0.0324 0.0642 404 PHE B O 2971 C CB . PHE B 167 ? 0.2000 0.2126 0.5247 -0.0095 0.0272 0.0496 404 PHE B CB 2972 C CG . PHE B 167 ? 0.5124 0.4990 0.8156 -0.0084 0.0190 0.0455 404 PHE B CG 2973 C CD1 . PHE B 167 ? 0.5642 0.5403 0.8474 -0.0008 0.0249 0.0367 404 PHE B CD1 2974 C CD2 . PHE B 167 ? 0.3378 0.3142 0.6405 -0.0138 0.0056 0.0501 404 PHE B CD2 2975 C CE1 . PHE B 167 ? 0.5447 0.5015 0.8030 0.0028 0.0180 0.0310 404 PHE B CE1 2976 C CE2 . PHE B 167 ? 0.6344 0.5897 0.9135 -0.0117 -0.0037 0.0439 404 PHE B CE2 2977 C CZ . PHE B 167 ? 0.4340 0.3802 0.6884 -0.0025 0.0030 0.0336 404 PHE B CZ 2978 N N . PHE B 168 ? 0.2616 0.3172 0.6073 -0.0035 0.0393 0.0520 405 PHE B N 2979 C CA . PHE B 168 ? 0.5206 0.6001 0.8639 -0.0001 0.0464 0.0467 405 PHE B CA 2980 C C . PHE B 168 ? 0.5502 0.6248 0.8864 0.0030 0.0536 0.0339 405 PHE B C 2981 O O . PHE B 168 ? 0.3142 0.3757 0.6546 0.0044 0.0575 0.0323 405 PHE B O 2982 C CB . PHE B 168 ? 0.3889 0.4849 0.7342 0.0025 0.0449 0.0545 405 PHE B CB 2983 C CG . PHE B 168 ? 0.6478 0.7356 1.0012 0.0068 0.0461 0.0544 405 PHE B CG 2984 C CD1 . PHE B 168 ? 0.8357 0.9320 1.1803 0.0116 0.0514 0.0455 405 PHE B CD1 2985 C CD2 . PHE B 168 ? 0.8115 0.8716 1.1622 0.0065 0.0382 0.0592 405 PHE B CD2 2986 C CE1 . PHE B 168 ? 0.6021 0.6917 0.9541 0.0176 0.0534 0.0453 405 PHE B CE1 2987 C CE2 . PHE B 168 ? 1.0446 1.0904 1.3915 0.0132 0.0383 0.0552 405 PHE B CE2 2988 C CZ . PHE B 168 ? 0.6064 0.6684 0.9546 0.0193 0.0471 0.0493 405 PHE B CZ 2989 N N . LEU B 169 ? 0.2711 0.3599 0.5999 0.0040 0.0553 0.0252 406 LEU B N 2990 C CA . LEU B 169 ? 0.3064 0.3937 0.6336 0.0052 0.0594 0.0155 406 LEU B CA 2991 C C . LEU B 169 ? 0.4360 0.5470 0.7615 0.0068 0.0575 0.0069 406 LEU B C 2992 O O . LEU B 169 ? 0.6772 0.8067 1.0012 0.0079 0.0551 0.0076 406 LEU B O 2993 C CB . LEU B 169 ? 0.1668 0.2392 0.4984 0.0028 0.0623 0.0129 406 LEU B CB 2994 C CG . LEU B 169 ? 0.4664 0.5372 0.8033 0.0007 0.0601 0.0099 406 LEU B CG 2995 C CD1 . LEU B 169 ? 0.2049 0.2934 0.5447 0.0020 0.0579 -0.0021 406 LEU B CD1 2996 C CD2 . LEU B 169 ? 0.3904 0.4464 0.7367 -0.0009 0.0636 0.0119 406 LEU B CD2 2997 N N . TYR B 170 ? 0.5487 0.6640 0.8772 0.0077 0.0588 -0.0004 407 TYR B N 2998 C CA . TYR B 170 ? 0.5623 0.7024 0.8949 0.0094 0.0557 -0.0116 407 TYR B CA 2999 C C . TYR B 170 ? 0.5920 0.7241 0.9385 0.0064 0.0557 -0.0233 407 TYR B C 3000 O O . TYR B 170 ? 0.8063 0.9184 1.1579 0.0036 0.0592 -0.0190 407 TYR B O 3001 C CB . TYR B 170 ? 0.2940 0.4516 0.6262 0.0128 0.0546 -0.0090 407 TYR B CB 3002 C CG . TYR B 170 ? 0.3888 0.5642 0.7161 0.0164 0.0529 0.0020 407 TYR B CG 3003 C CD1 . TYR B 170 ? 0.4474 0.6048 0.7740 0.0166 0.0541 0.0160 407 TYR B CD1 3004 C CD2 . TYR B 170 ? 0.2748 0.4881 0.6032 0.0205 0.0500 -0.0007 407 TYR B CD2 3005 C CE1 . TYR B 170 ? 0.2481 0.4192 0.5777 0.0191 0.0515 0.0302 407 TYR B CE1 3006 C CE2 . TYR B 170 ? 0.4869 0.7196 0.8145 0.0236 0.0490 0.0140 407 TYR B CE2 3007 C CZ . TYR B 170 ? 0.4427 0.6507 0.7716 0.0219 0.0492 0.0311 407 TYR B CZ 3008 O OH . TYR B 170 ? 0.2563 0.4790 0.5894 0.0240 0.0469 0.0501 407 TYR B OH 3009 N N . SER B 171 ? 0.1845 0.3342 0.5410 0.0078 0.0517 -0.0379 408 SER B N 3010 C CA . SER B 171 ? 0.3855 0.5276 0.7646 0.0045 0.0496 -0.0509 408 SER B CA 3011 C C . SER B 171 ? 0.5404 0.7101 0.9296 0.0071 0.0437 -0.0655 408 SER B C 3012 O O . SER B 171 ? 0.4300 0.6280 0.8114 0.0130 0.0410 -0.0715 408 SER B O 3013 C CB . SER B 171 ? 0.5620 0.6948 0.9538 0.0040 0.0486 -0.0604 408 SER B CB 3014 O OG . SER B 171 ? 0.4178 0.5299 0.8354 -0.0010 0.0483 -0.0638 408 SER B OG 3015 N N . LYS B 172 ? 0.2848 0.4500 0.6931 0.0032 0.0415 -0.0698 409 LYS B N 3016 C CA . LYS B 172 ? 0.2596 0.4521 0.6812 0.0049 0.0337 -0.0844 409 LYS B CA 3017 C C . LYS B 172 ? 0.5116 0.6967 0.9680 0.0009 0.0267 -0.1054 409 LYS B C 3018 O O . LYS B 172 ? 0.2319 0.3910 0.7062 -0.0050 0.0296 -0.0988 409 LYS B O 3019 C CB . LYS B 172 ? 0.4673 0.6648 0.8858 0.0043 0.0355 -0.0702 409 LYS B CB 3020 C CG . LYS B 172 ? 0.2900 0.5146 0.7270 0.0047 0.0263 -0.0820 409 LYS B CG 3021 C CD . LYS B 172 ? 0.2935 0.5231 0.7227 0.0062 0.0304 -0.0636 409 LYS B CD 3022 C CE . LYS B 172 ? 0.6039 0.8363 1.0590 0.0017 0.0275 -0.0639 409 LYS B CE 3023 N NZ . LYS B 172 ? 0.4825 0.7133 0.9728 -0.0050 0.0185 -0.0817 409 LYS B NZ 3024 N N . LEU B 173 ? 0.2133 0.4228 0.6809 0.0052 0.0170 -0.1316 410 LEU B N 3025 C CA . LEU B 173 ? 0.4261 0.6284 0.9325 0.0024 0.0075 -0.1575 410 LEU B CA 3026 C C . LEU B 173 ? 0.7621 0.9923 1.2831 0.0033 -0.0050 -0.1755 410 LEU B C 3027 O O . LEU B 173 ? 0.5937 0.8597 1.0946 0.0108 -0.0091 -0.1828 410 LEU B O 3028 C CB . LEU B 173 ? 0.4779 0.6856 0.9889 0.0090 0.0040 -0.1818 410 LEU B CB 3029 C CG . LEU B 173 ? 0.7462 0.9507 1.3030 0.0089 -0.0099 -0.2175 410 LEU B CG 3030 C CD1 . LEU B 173 ? 0.5775 0.7391 1.1682 0.0012 -0.0070 -0.2075 410 LEU B CD1 3031 C CD2 . LEU B 173 ? 0.2724 0.5044 0.8295 0.0210 -0.0181 -0.2546 410 LEU B CD2 3032 N N . THR B 174 ? 0.5396 0.7551 1.0967 -0.0038 -0.0116 -0.1806 411 THR B N 3033 C CA . THR B 174 ? 0.6533 0.8927 1.2263 -0.0048 -0.0245 -0.1935 411 THR B CA 3034 C C . THR B 174 ? 0.5418 0.7831 1.1533 -0.0040 -0.0422 -0.2320 411 THR B C 3035 O O . THR B 174 ? 0.5288 0.7408 1.1777 -0.0100 -0.0447 -0.2324 411 THR B O 3036 C CB . THR B 174 ? 0.5907 0.8165 1.1753 -0.0130 -0.0190 -0.1661 411 THR B CB 3037 O OG1 . THR B 174 ? 0.6010 0.8223 1.1504 -0.0115 -0.0033 -0.1350 411 THR B OG1 3038 C CG2 . THR B 174 ? 0.7209 0.9753 1.3192 -0.0140 -0.0323 -0.1756 411 THR B CG2 3039 N N . VAL B 175 ? 0.5110 0.7891 1.1127 0.0054 -0.0549 -0.2640 412 VAL B N 3040 C CA . VAL B 175 ? 0.5324 0.8177 1.1663 0.0095 -0.0750 -0.3079 412 VAL B CA 3041 C C . VAL B 175 ? 0.5277 0.8429 1.1675 0.0096 -0.0929 -0.3231 412 VAL B C 3042 O O . VAL B 175 ? 0.5651 0.9077 1.1779 0.0099 -0.0906 -0.3047 412 VAL B O 3043 C CB . VAL B 175 ? 0.4847 0.7970 1.1014 0.0241 -0.0793 -0.3424 412 VAL B CB 3044 C CG1 . VAL B 175 ? 0.5308 0.8132 1.1510 0.0240 -0.0655 -0.3329 412 VAL B CG1 3045 C CG2 . VAL B 175 ? 0.4929 0.8539 1.0599 0.0335 -0.0754 -0.3344 412 VAL B CG2 3046 N N . ASP B 176 ? 0.7311 1.0403 1.4072 0.0103 -0.1116 -0.3561 413 ASP B N 3047 C CA . ASP B 176 ? 0.6768 1.0188 1.3541 0.0133 -0.1325 -0.3795 413 ASP B CA 3048 C C . ASP B 176 ? 0.8732 1.2694 1.5025 0.0285 -0.1378 -0.4007 413 ASP B C 3049 O O . ASP B 176 ? 0.9442 1.3529 1.5526 0.0399 -0.1322 -0.4167 413 ASP B O 3050 C CB . ASP B 176 ? 1.0045 1.3300 1.7266 0.0152 -0.1524 -0.4158 413 ASP B CB 3051 C CG . ASP B 176 ? 0.9979 1.2825 1.7697 0.0003 -0.1511 -0.3905 413 ASP B CG 3052 O OD1 . ASP B 176 ? 0.6343 0.9138 1.4009 -0.0108 -0.1380 -0.3495 413 ASP B OD1 3053 O OD2 . ASP B 176 ? 0.9501 1.2117 1.7666 0.0013 -0.1631 -0.4105 413 ASP B OD2 3054 N N . LYS B 177 ? 0.8204 1.2526 1.4335 0.0296 -0.1489 -0.3992 414 LYS B N 3055 C CA . LYS B 177 ? 0.7452 1.2347 1.3085 0.0442 -0.1522 -0.4073 414 LYS B CA 3056 C C . LYS B 177 ? 0.7125 1.2308 1.2614 0.0622 -0.1667 -0.4598 414 LYS B C 3057 O O . LYS B 177 ? 0.8495 1.4124 1.3547 0.0776 -0.1626 -0.4668 414 LYS B O 3058 C CB . LYS B 177 ? 0.5141 1.0335 1.0690 0.0412 -0.1625 -0.3915 414 LYS B CB 3059 C CG . LYS B 177 ? 0.7639 1.3421 1.2667 0.0554 -0.1623 -0.3845 414 LYS B CG 3060 C CD . LYS B 177 ? 0.8704 1.4933 1.3541 0.0688 -0.1858 -0.4256 414 LYS B CD 3061 C CE . LYS B 177 ? 1.0238 1.7080 1.4567 0.0815 -0.1857 -0.4073 414 LYS B CE 3062 N NZ . LYS B 177 ? 0.7361 1.4379 1.1756 0.0755 -0.2000 -0.3914 414 LYS B NZ 3063 N N . SER B 178 ? 0.6244 1.1187 1.2105 0.0620 -0.1827 -0.4944 415 SER B N 3064 C CA . SER B 178 ? 0.8382 1.3564 1.4137 0.0817 -0.1966 -0.5463 415 SER B CA 3065 C C . SER B 178 ? 1.1036 1.6153 1.6744 0.0925 -0.1833 -0.5596 415 SER B C 3066 O O . SER B 178 ? 1.1259 1.6812 1.6602 0.1132 -0.1849 -0.5877 415 SER B O 3067 C CB . SER B 178 ? 0.7644 1.2541 1.3895 0.0786 -0.2174 -0.5748 415 SER B CB 3068 O OG . SER B 178 ? 1.0442 1.4759 1.7227 0.0597 -0.2107 -0.5483 415 SER B OG 3069 N N . ARG B 179 ? 0.9873 1.4473 1.5938 0.0795 -0.1695 -0.5370 416 ARG B N 3070 C CA . ARG B 179 ? 0.8745 1.3221 1.4869 0.0876 -0.1582 -0.5476 416 ARG B CA 3071 C C . ARG B 179 ? 0.9161 1.4113 1.4751 0.0981 -0.1452 -0.5401 416 ARG B C 3072 O O . ARG B 179 ? 0.9294 1.4414 1.4757 0.1132 -0.1412 -0.5637 416 ARG B O 3073 C CB . ARG B 179 ? 0.4623 0.8484 1.1177 0.0701 -0.1445 -0.5144 416 ARG B CB 3074 C CG . ARG B 179 ? 0.6388 0.9856 1.3532 0.0677 -0.1566 -0.5286 416 ARG B CG 3075 C CD . ARG B 179 ? 0.8185 1.1125 1.5702 0.0488 -0.1452 -0.4860 416 ARG B CD 3076 N NE . ARG B 179 ? 0.8933 1.1610 1.6590 0.0495 -0.1297 -0.4724 416 ARG B NE 3077 C CZ . ARG B 179 ? 1.1156 1.3457 1.8908 0.0359 -0.1127 -0.4284 416 ARG B CZ 3078 N NH1 . ARG B 179 ? 0.9762 1.1944 1.7478 0.0214 -0.1084 -0.3945 416 ARG B NH1 3079 N NH2 . ARG B 179 ? 0.8576 1.0669 1.6445 0.0378 -0.1001 -0.4166 416 ARG B NH2 3080 N N . TRP B 180 ? 0.8222 1.3405 1.3512 0.0915 -0.1372 -0.5017 417 TRP B N 3081 C CA . TRP B 180 ? 0.7511 1.3192 1.2323 0.1036 -0.1218 -0.4796 417 TRP B CA 3082 C C . TRP B 180 ? 0.6889 1.3221 1.1237 0.1246 -0.1346 -0.5108 417 TRP B C 3083 O O . TRP B 180 ? 0.9187 1.5814 1.3141 0.1438 -0.1239 -0.5204 417 TRP B O 3084 C CB . TRP B 180 ? 0.5854 1.1428 1.0499 0.0905 -0.1058 -0.4202 417 TRP B CB 3085 C CG . TRP B 180 ? 0.6063 1.2098 1.0205 0.1031 -0.0908 -0.3923 417 TRP B CG 3086 C CD1 . TRP B 180 ? 0.8705 1.5279 1.2501 0.1112 -0.0965 -0.3818 417 TRP B CD1 3087 C CD2 . TRP B 180 ? 0.8066 1.4022 1.1974 0.1080 -0.0672 -0.3661 417 TRP B CD2 3088 N NE1 . TRP B 180 ? 1.0774 1.7626 1.4170 0.1210 -0.0772 -0.3490 417 TRP B NE1 3089 C CE2 . TRP B 180 ? 1.1263 1.7720 1.4715 0.1185 -0.0589 -0.3392 417 TRP B CE2 3090 C CE3 . TRP B 180 ? 0.5478 1.0954 0.9504 0.1033 -0.0530 -0.3590 417 TRP B CE3 3091 C CZ2 . TRP B 180 ? 1.4246 2.0715 1.7391 0.1228 -0.0376 -0.3056 417 TRP B CZ2 3092 C CZ3 . TRP B 180 ? 0.9615 1.5105 1.3299 0.1077 -0.0330 -0.3272 417 TRP B CZ3 3093 C CH2 . TRP B 180 ? 1.3689 1.9660 1.6956 0.1168 -0.0255 -0.3010 417 TRP B CH2 3094 N N . GLN B 181 ? 0.8613 1.5083 1.2951 0.1218 -0.1534 -0.5213 418 GLN B N 3095 C CA . GLN B 181 ? 0.9550 1.6661 1.3409 0.1409 -0.1653 -0.5423 418 GLN B CA 3096 C C . GLN B 181 ? 0.9580 1.6910 1.3279 0.1642 -0.1702 -0.5920 418 GLN B C 3097 O O . GLN B 181 ? 0.9484 1.7432 1.2673 0.1853 -0.1696 -0.6004 418 GLN B O 3098 C CB . GLN B 181 ? 0.6400 1.3460 1.0385 0.1327 -0.1840 -0.5453 418 GLN B CB 3099 C CG . GLN B 181 ? 0.9044 1.6454 1.2732 0.1287 -0.1811 -0.5018 418 GLN B CG 3100 C CD . GLN B 181 ? 1.2538 2.0661 1.5607 0.1496 -0.1729 -0.4918 418 GLN B CD 3101 O OE1 . GLN B 181 ? 1.3798 2.2351 1.6545 0.1702 -0.1809 -0.5269 418 GLN B OE1 3102 N NE2 . GLN B 181 ? 0.9480 1.7716 1.2399 0.1457 -0.1542 -0.4396 418 GLN B NE2 3103 N N . GLN B 182 ? 0.9327 1.6148 1.3499 0.1613 -0.1727 -0.6170 419 GLN B N 3104 C CA . GLN B 182 ? 1.2914 1.9885 1.7069 0.1827 -0.1780 -0.6562 419 GLN B CA 3105 C C . GLN B 182 ? 1.3240 2.0414 1.7057 0.1946 -0.1572 -0.6442 419 GLN B C 3106 O O . GLN B 182 ? 1.2135 1.9832 1.5515 0.2159 -0.1552 -0.6540 419 GLN B O 3107 C CB . GLN B 182 ? 1.4521 2.0906 1.9329 0.1762 -0.1882 -0.6790 419 GLN B CB 3108 C CG . GLN B 182 ? 1.5217 2.1165 2.0524 0.1600 -0.2024 -0.6809 419 GLN B CG 3109 C CD . GLN B 182 ? 1.5578 2.1081 2.1492 0.1592 -0.2145 -0.7053 419 GLN B CD 3110 O OE1 . GLN B 182 ? 1.6897 2.1887 2.3263 0.1451 -0.2055 -0.6853 419 GLN B OE1 3111 N NE2 . GLN B 182 ? 1.8601 2.4277 2.4574 0.1726 -0.2363 -0.7453 419 GLN B NE2 3112 N N . GLY B 183 ? 1.1801 1.8513 1.5831 0.1804 -0.1406 -0.6193 420 GLY B N 3113 C CA . GLY B 183 ? 1.2676 1.9440 1.6374 0.1878 -0.1172 -0.5947 420 GLY B CA 3114 C C . GLY B 183 ? 1.2196 1.8302 1.6282 0.1748 -0.1075 -0.5820 420 GLY B C 3115 O O . GLY B 183 ? 0.8123 1.4217 1.1973 0.1814 -0.0915 -0.5659 420 GLY B O 3116 N N . ASN B 184 ? 1.1863 1.7441 1.6547 0.1563 -0.1167 -0.5854 421 ASN B N 3117 C CA . ASN B 184 ? 0.7673 1.2641 1.2725 0.1420 -0.1067 -0.5650 421 ASN B CA 3118 C C . ASN B 184 ? 0.7881 1.2758 1.2568 0.1379 -0.0783 -0.5142 421 ASN B C 3119 O O . ASN B 184 ? 0.9838 1.4835 1.4328 0.1323 -0.0675 -0.4817 421 ASN B O 3120 C CB . ASN B 184 ? 0.8356 1.2842 1.4066 0.1209 -0.1160 -0.5602 421 ASN B CB 3121 C CG . ASN B 184 ? 0.9841 1.4254 1.6057 0.1232 -0.1403 -0.5947 421 ASN B CG 3122 O OD1 . ASN B 184 ? 0.8528 1.3313 1.4573 0.1364 -0.1551 -0.6243 421 ASN B OD1 3123 N ND2 . ASN B 184 ? 0.7740 1.1655 1.4556 0.1111 -0.1428 -0.5855 421 ASN B ND2 3124 N N . VAL B 185 ? 0.4758 0.9434 0.9390 0.1405 -0.0668 -0.5028 422 VAL B N 3125 C CA . VAL B 185 ? 0.8186 1.2659 1.2618 0.1327 -0.0428 -0.4516 422 VAL B CA 3126 C C . VAL B 185 ? 0.5931 0.9809 1.0805 0.1106 -0.0410 -0.4278 422 VAL B C 3127 O O . VAL B 185 ? 0.5054 0.8606 1.0425 0.1030 -0.0542 -0.4484 422 VAL B O 3128 C CB . VAL B 185 ? 1.0991 1.5506 1.5213 0.1447 -0.0302 -0.4456 422 VAL B CB 3129 C CG1 . VAL B 185 ? 1.3911 1.7900 1.8352 0.1313 -0.0176 -0.4118 422 VAL B CG1 3130 C CG2 . VAL B 185 ? 0.8657 1.3712 1.2311 0.1587 -0.0154 -0.4246 422 VAL B CG2 3131 N N . PHE B 186 ? 0.5370 0.9141 1.0070 0.1001 -0.0258 -0.3819 423 PHE B N 3132 C CA . PHE B 186 ? 0.4549 0.7806 0.9538 0.0807 -0.0209 -0.3515 423 PHE B CA 3133 C C . PHE B 186 ? 0.7735 1.0861 1.2450 0.0790 -0.0022 -0.3105 423 PHE B C 3134 O O . PHE B 186 ? 0.7559 1.1023 1.1884 0.0894 0.0074 -0.2978 423 PHE B O 3135 C CB . PHE B 186 ? 0.3227 0.6508 0.8215 0.0702 -0.0221 -0.3331 423 PHE B CB 3136 C CG . PHE B 186 ? 0.8914 1.2282 1.4272 0.0689 -0.0418 -0.3693 423 PHE B CG 3137 C CD1 . PHE B 186 ? 0.9051 1.2943 1.4252 0.0826 -0.0536 -0.4009 423 PHE B CD1 3138 C CD2 . PHE B 186 ? 0.3346 0.6294 0.9224 0.0544 -0.0492 -0.3707 423 PHE B CD2 3139 C CE1 . PHE B 186 ? 0.6887 1.0873 1.2465 0.0814 -0.0749 -0.4359 423 PHE B CE1 3140 C CE2 . PHE B 186 ? 0.6242 0.9241 1.2508 0.0524 -0.0683 -0.4015 423 PHE B CE2 3141 C CZ . PHE B 186 ? 0.4898 0.8406 1.1018 0.0650 -0.0826 -0.4351 423 PHE B CZ 3142 N N . SER B 187 ? 0.4584 0.7257 0.9518 0.0663 0.0024 -0.2879 424 SER B N 3143 C CA . SER B 187 ? 0.3308 0.5878 0.8013 0.0655 0.0171 -0.2524 424 SER B CA 3144 C C . SER B 187 ? 0.5375 0.7573 1.0127 0.0498 0.0228 -0.2165 424 SER B C 3145 O O . SER B 187 ? 0.4835 0.6734 0.9908 0.0390 0.0172 -0.2183 424 SER B O 3146 C CB . SER B 187 ? 0.3139 0.5643 0.7959 0.0737 0.0181 -0.2649 424 SER B CB 3147 O OG . SER B 187 ? 0.6935 0.9869 1.1465 0.0912 0.0221 -0.2781 424 SER B OG 3148 N N . CYS B 188 ? 0.4729 0.6975 0.9169 0.0492 0.0334 -0.1837 425 CYS B N 3149 C CA . CYS B 188 ? 0.5963 0.7909 1.0351 0.0369 0.0382 -0.1510 425 CYS B CA 3150 C C . CYS B 188 ? 0.5247 0.7024 0.9667 0.0371 0.0428 -0.1381 425 CYS B C 3151 O O . CYS B 188 ? 0.7376 0.9378 1.1675 0.0467 0.0469 -0.1383 425 CYS B O 3152 C CB . CYS B 188 ? 0.3996 0.6133 0.8060 0.0369 0.0434 -0.1273 425 CYS B CB 3153 S SG . CYS B 188 ? 0.7128 0.8930 1.1079 0.0243 0.0471 -0.0937 425 CYS B SG 3154 N N . SER B 189 ? 0.3113 0.4533 0.7717 0.0274 0.0423 -0.1261 426 SER B N 3155 C CA . SER B 189 ? 0.4237 0.5502 0.8938 0.0276 0.0445 -0.1160 426 SER B CA 3156 C C . SER B 189 ? 0.4245 0.5324 0.8794 0.0194 0.0482 -0.0858 426 SER B C 3157 O O . SER B 189 ? 0.5444 0.6324 1.0048 0.0117 0.0478 -0.0772 426 SER B O 3158 C CB . SER B 189 ? 0.2423 0.3439 0.7557 0.0240 0.0391 -0.1283 426 SER B CB 3159 O OG . SER B 189 ? 0.4598 0.5731 0.9953 0.0296 0.0318 -0.1620 426 SER B OG 3160 N N . VAL B 190 ? 0.6658 0.7825 1.1024 0.0220 0.0516 -0.0699 427 VAL B N 3161 C CA . VAL B 190 ? 0.4783 0.5783 0.9010 0.0149 0.0528 -0.0449 427 VAL B CA 3162 C C . VAL B 190 ? 0.4534 0.5398 0.8918 0.0146 0.0521 -0.0352 427 VAL B C 3163 O O . VAL B 190 ? 0.5741 0.6722 1.0242 0.0210 0.0523 -0.0444 427 VAL B O 3164 C CB . VAL B 190 ? 0.3896 0.5100 0.7851 0.0162 0.0545 -0.0328 427 VAL B CB 3165 C CG1 . VAL B 190 ? 0.2306 0.3307 0.6153 0.0090 0.0535 -0.0127 427 VAL B CG1 3166 C CG2 . VAL B 190 ? 0.2165 0.3604 0.5997 0.0196 0.0552 -0.0428 427 VAL B CG2 3167 N N . MET B 191 ? 0.5990 0.6633 1.0385 0.0085 0.0513 -0.0166 428 MET B N 3168 C CA . MET B 191 ? 0.3880 0.4394 0.8457 0.0080 0.0494 -0.0042 428 MET B CA 3169 C C . MET B 191 ? 0.2629 0.3075 0.7052 0.0044 0.0475 0.0177 428 MET B C 3170 O O . MET B 191 ? 0.8723 0.9054 1.3096 0.0015 0.0480 0.0262 428 MET B O 3171 C CB . MET B 191 ? 0.4378 0.4689 0.9281 0.0057 0.0486 -0.0055 428 MET B CB 3172 C CG . MET B 191 ? 0.8458 0.8635 1.3556 0.0046 0.0462 0.0142 428 MET B CG 3173 S SD . MET B 191 ? 0.7389 0.7384 1.2993 0.0017 0.0445 0.0128 428 MET B SD 3174 C CE . MET B 191 ? 0.3434 0.3575 0.9132 0.0054 0.0436 -0.0238 428 MET B CE 3175 N N . HIS B 192 ? 0.7124 0.7672 1.1491 0.0052 0.0448 0.0264 429 HIS B N 3176 C CA . HIS B 192 ? 0.7014 0.7532 1.1256 0.0013 0.0400 0.0437 429 HIS B CA 3177 C C . HIS B 192 ? 0.7847 0.8426 1.2201 0.0017 0.0346 0.0552 429 HIS B C 3178 O O . HIS B 192 ? 0.7508 0.8231 1.1937 0.0058 0.0372 0.0490 429 HIS B O 3179 C CB . HIS B 192 ? 0.7213 0.7837 1.1229 -0.0003 0.0409 0.0411 429 HIS B CB 3180 C CG . HIS B 192 ? 0.3709 0.4287 0.7645 -0.0051 0.0341 0.0553 429 HIS B CG 3181 N ND1 . HIS B 192 ? 0.5899 0.6577 0.9826 -0.0073 0.0285 0.0643 429 HIS B ND1 3182 C CD2 . HIS B 192 ? 0.3435 0.3892 0.7324 -0.0089 0.0310 0.0617 429 HIS B CD2 3183 C CE1 . HIS B 192 ? 0.6309 0.6892 1.0204 -0.0129 0.0198 0.0738 429 HIS B CE1 3184 N NE2 . HIS B 192 ? 0.5339 0.5795 0.9192 -0.0139 0.0216 0.0712 429 HIS B NE2 3185 N N . GLU B 193 ? 0.5134 0.5642 0.9505 -0.0022 0.0265 0.0717 430 GLU B N 3186 C CA . GLU B 193 ? 0.5073 0.5632 0.9589 -0.0026 0.0190 0.0845 430 GLU B CA 3187 C C . GLU B 193 ? 0.3924 0.4662 0.8410 -0.0022 0.0188 0.0851 430 GLU B C 3188 O O . GLU B 193 ? 0.6385 0.7222 1.1023 0.0012 0.0197 0.0872 430 GLU B O 3189 C CB . GLU B 193 ? 0.2304 0.2803 0.6829 -0.0082 0.0068 0.1015 430 GLU B CB 3190 C CG . GLU B 193 ? 0.5202 0.5735 0.9596 -0.0150 -0.0035 0.1072 430 GLU B CG 3191 C CD . GLU B 193 ? 0.9222 0.9648 1.3534 -0.0233 -0.0154 0.1165 430 GLU B CD 3192 O OE1 . GLU B 193 ? 1.1297 1.1611 1.5470 -0.0241 -0.0093 0.1132 430 GLU B OE1 3193 O OE2 . GLU B 193 ? 0.6664 0.7095 1.1018 -0.0297 -0.0313 0.1274 430 GLU B OE2 3194 N N . ALA B 194 ? 0.3751 0.4550 0.8067 -0.0052 0.0185 0.0845 431 ALA B N 3195 C CA . ALA B 194 ? 0.2826 0.3819 0.7142 -0.0057 0.0182 0.0906 431 ALA B CA 3196 C C . ALA B 194 ? 0.4753 0.5980 0.9052 0.0019 0.0304 0.0778 431 ALA B C 3197 O O . ALA B 194 ? 0.4057 0.5512 0.8323 0.0026 0.0331 0.0824 431 ALA B O 3198 C CB . ALA B 194 ? 0.4248 0.5214 0.8441 -0.0117 0.0123 0.0972 431 ALA B CB 3199 N N . LEU B 195 ? 0.4699 0.5891 0.9037 0.0076 0.0368 0.0616 432 LEU B N 3200 C CA . LEU B 195 ? 0.3065 0.4514 0.7420 0.0169 0.0458 0.0456 432 LEU B CA 3201 C C . LEU B 195 ? 0.6472 0.8006 1.1049 0.0237 0.0472 0.0444 432 LEU B C 3202 O O . LEU B 195 ? 0.3369 0.4688 0.8108 0.0214 0.0422 0.0506 432 LEU B O 3203 C CB . LEU B 195 ? 0.2533 0.3895 0.6842 0.0197 0.0495 0.0262 432 LEU B CB 3204 C CG . LEU B 195 ? 0.5020 0.6418 0.9117 0.0169 0.0509 0.0226 432 LEU B CG 3205 C CD1 . LEU B 195 ? 0.6313 0.7545 1.0416 0.0169 0.0521 0.0066 432 LEU B CD1 3206 C CD2 . LEU B 195 ? 0.5181 0.6969 0.9184 0.0235 0.0563 0.0187 432 LEU B CD2 3207 N N . HIS B 196 ? 0.4731 0.6616 0.9330 0.0332 0.0540 0.0379 433 HIS B N 3208 C CA . HIS B 196 ? 0.4483 0.6476 0.9305 0.0420 0.0563 0.0347 433 HIS B CA 3209 C C . HIS B 196 ? 0.4928 0.6712 0.9881 0.0469 0.0566 0.0155 433 HIS B C 3210 O O . HIS B 196 ? 0.5918 0.7700 1.0777 0.0498 0.0593 -0.0026 433 HIS B O 3211 C CB . HIS B 196 ? 0.8998 1.1470 1.3817 0.0546 0.0653 0.0287 433 HIS B CB 3212 C CG . HIS B 196 ? 1.3347 1.5950 1.8408 0.0658 0.0681 0.0250 433 HIS B CG 3213 N ND1 . HIS B 196 ? 1.5114 1.7542 2.0367 0.0600 0.0618 0.0420 433 HIS B ND1 3214 C CD2 . HIS B 196 ? 1.2335 1.5238 1.7479 0.0843 0.0764 0.0054 433 HIS B CD2 3215 C CE1 . HIS B 196 ? 1.2325 1.4926 1.7791 0.0733 0.0663 0.0340 433 HIS B CE1 3216 N NE2 . HIS B 196 ? 1.0267 1.3151 1.5666 0.0887 0.0753 0.0112 433 HIS B NE2 3217 N N . ASN B 197 ? 0.4671 0.6266 0.9868 0.0465 0.0525 0.0212 434 ASN B N 3218 C CA . ASN B 197 ? 0.5621 0.6951 1.1018 0.0473 0.0506 0.0085 434 ASN B CA 3219 C C . ASN B 197 ? 0.4272 0.5314 0.9589 0.0366 0.0471 0.0090 434 ASN B C 3220 O O . ASN B 197 ? 0.4901 0.5769 1.0394 0.0365 0.0463 -0.0037 434 ASN B O 3221 C CB . ASN B 197 ? 0.4471 0.5974 0.9950 0.0617 0.0563 -0.0196 434 ASN B CB 3222 C CG . ASN B 197 ? 0.6756 0.8419 1.2455 0.0738 0.0587 -0.0218 434 ASN B CG 3223 O OD1 . ASN B 197 ? 0.3793 0.5307 0.9702 0.0697 0.0540 -0.0055 434 ASN B OD1 3224 N ND2 . ASN B 197 ? 0.7009 0.9006 1.2667 0.0904 0.0662 -0.0411 434 ASN B ND2 3225 N N . HIS B 198 ? 0.3044 0.4057 0.8125 0.0283 0.0450 0.0232 435 HIS B N 3226 C CA . HIS B 198 ? 0.4454 0.5240 0.9441 0.0199 0.0425 0.0277 435 HIS B CA 3227 C C . HIS B 198 ? 0.5261 0.6063 1.0169 0.0215 0.0467 0.0066 435 HIS B C 3228 O O . HIS B 198 ? 0.5276 0.5888 1.0200 0.0161 0.0459 0.0066 435 HIS B O 3229 C CB . HIS B 198 ? 0.2213 0.2753 0.7446 0.0159 0.0380 0.0397 435 HIS B CB 3230 C CG . HIS B 198 ? 0.3975 0.4482 0.9225 0.0120 0.0308 0.0645 435 HIS B CG 3231 N ND1 . HIS B 198 ? 0.6932 0.7286 1.2375 0.0087 0.0254 0.0818 435 HIS B ND1 3232 C CD2 . HIS B 198 ? 0.2900 0.3532 0.8019 0.0104 0.0262 0.0761 435 HIS B CD2 3233 C CE1 . HIS B 198 ? 0.4772 0.5172 1.0178 0.0061 0.0169 0.1013 435 HIS B CE1 3234 N NE2 . HIS B 198 ? 0.4780 0.5329 1.0002 0.0064 0.0167 0.0972 435 HIS B NE2 3235 N N . TYR B 199 ? 0.3236 0.4300 0.8074 0.0300 0.0511 -0.0105 436 TYR B N 3236 C CA . TYR B 199 ? 0.4115 0.5208 0.8950 0.0331 0.0528 -0.0336 436 TYR B CA 3237 C C . TYR B 199 ? 0.4062 0.5531 0.8742 0.0441 0.0577 -0.0471 436 TYR B C 3238 O O . TYR B 199 ? 0.6350 0.8017 1.1123 0.0550 0.0606 -0.0547 436 TYR B O 3239 C CB . TYR B 199 ? 0.5017 0.5936 1.0202 0.0351 0.0501 -0.0487 436 TYR B CB 3240 C CG . TYR B 199 ? 0.3529 0.4492 0.8787 0.0388 0.0489 -0.0773 436 TYR B CG 3241 C CD1 . TYR B 199 ? 0.3071 0.3830 0.8437 0.0294 0.0456 -0.0803 436 TYR B CD1 3242 C CD2 . TYR B 199 ? 0.2745 0.3985 0.7975 0.0525 0.0509 -0.1010 436 TYR B CD2 3243 C CE1 . TYR B 199 ? 0.3804 0.4619 0.9276 0.0316 0.0422 -0.1070 436 TYR B CE1 3244 C CE2 . TYR B 199 ? 0.3937 0.5233 0.9232 0.0562 0.0476 -0.1291 436 TYR B CE2 3245 C CZ . TYR B 199 ? 0.5728 0.6804 1.1160 0.0449 0.0421 -0.1327 436 TYR B CZ 3246 O OH . TYR B 199 ? 0.5748 0.6899 1.1292 0.0478 0.0363 -0.1626 436 TYR B OH 3247 N N . THR B 200 ? 0.2667 0.4266 0.7125 0.0428 0.0591 -0.0494 437 THR B N 3248 C CA . THR B 200 ? 0.3922 0.5902 0.8264 0.0547 0.0637 -0.0645 437 THR B CA 3249 C C . THR B 200 ? 0.5678 0.7623 1.0017 0.0548 0.0609 -0.0868 437 THR B C 3250 O O . THR B 200 ? 0.4833 0.6467 0.9282 0.0449 0.0559 -0.0896 437 THR B O 3251 C CB . THR B 200 ? 0.5182 0.7469 0.9293 0.0546 0.0676 -0.0452 437 THR B CB 3252 O OG1 . THR B 200 ? 0.4052 0.6785 0.8086 0.0692 0.0744 -0.0551 437 THR B OG1 3253 C CG2 . THR B 200 ? 0.2657 0.4796 0.6610 0.0433 0.0644 -0.0357 437 THR B CG2 3254 N N . GLN B 201 ? 0.3190 0.5489 0.7409 0.0659 0.0642 -0.1007 438 GLN B N 3255 C CA . GLN B 201 ? 0.4237 0.6544 0.8482 0.0668 0.0595 -0.1259 438 GLN B CA 3256 C C . GLN B 201 ? 0.3654 0.6415 0.7688 0.0785 0.0638 -0.1338 438 GLN B C 3257 O O . GLN B 201 ? 0.6290 0.9355 1.0270 0.0920 0.0703 -0.1382 438 GLN B O 3258 C CB . GLN B 201 ? 0.6057 0.8180 1.0605 0.0701 0.0532 -0.1546 438 GLN B CB 3259 C CG . GLN B 201 ? 0.5747 0.8127 1.0310 0.0831 0.0497 -0.1906 438 GLN B CG 3260 C CD . GLN B 201 ? 0.7895 1.0042 1.2824 0.0838 0.0405 -0.2182 438 GLN B CD 3261 O OE1 . GLN B 201 ? 0.9136 1.0911 1.4344 0.0713 0.0361 -0.2090 438 GLN B OE1 3262 N NE2 . GLN B 201 ? 0.7831 1.0206 1.2781 0.0985 0.0369 -0.2517 438 GLN B NE2 3263 N N . LYS B 202 ? 0.6223 0.9046 1.0141 0.0737 0.0610 -0.1335 439 LYS B N 3264 C CA . LYS B 202 ? 0.6901 1.0168 1.0626 0.0838 0.0638 -0.1403 439 LYS B CA 3265 C C . LYS B 202 ? 0.8604 1.1936 1.2377 0.0865 0.0535 -0.1762 439 LYS B C 3266 O O . LYS B 202 ? 0.6398 0.9421 1.0356 0.0759 0.0453 -0.1846 439 LYS B O 3267 C CB . LYS B 202 ? 0.4311 0.7704 0.7871 0.0777 0.0685 -0.1065 439 LYS B CB 3268 C CG . LYS B 202 ? 0.9718 1.3209 1.3265 0.0780 0.0777 -0.0740 439 LYS B CG 3269 C CD . LYS B 202 ? 1.2028 1.5834 1.5577 0.0924 0.0861 -0.0817 439 LYS B CD 3270 C CE . LYS B 202 ? 1.1637 1.5500 1.5293 0.0910 0.0951 -0.0494 439 LYS B CE 3271 N NZ . LYS B 202 ? 1.1916 1.5513 1.5673 0.0875 0.0899 -0.0473 439 LYS B NZ 3272 N N . SER B 203 ? 0.6890 1.0657 1.0505 0.1010 0.0534 -0.1971 440 SER B N 3273 C CA . SER B 203 ? 0.5184 0.9102 0.8840 0.1065 0.0406 -0.2376 440 SER B CA 3274 C C . SER B 203 ? 0.8643 1.2922 1.2080 0.1076 0.0381 -0.2327 440 SER B C 3275 O O . SER B 203 ? 1.0394 1.4804 1.3648 0.1045 0.0470 -0.1969 440 SER B O 3276 C CB . SER B 203 ? 0.6196 1.0376 0.9815 0.1242 0.0380 -0.2728 440 SER B CB 3277 O OG . SER B 203 ? 1.0113 1.4815 1.3381 0.1377 0.0470 -0.2632 440 SER B OG 3278 N N . LEU B 204 ? 0.7877 1.2324 1.1370 0.1120 0.0242 -0.2690 441 LEU B N 3279 C CA . LEU B 204 ? 0.6643 1.1388 1.0003 0.1111 0.0189 -0.2649 441 LEU B CA 3280 C C . LEU B 204 ? 0.7513 1.2523 1.0965 0.1203 0.0009 -0.3149 441 LEU B C 3281 O O . LEU B 204 ? 0.7878 1.2566 1.1705 0.1137 -0.0109 -0.3416 441 LEU B O 3282 C CB . LEU B 204 ? 0.6165 1.0494 0.9698 0.0923 0.0200 -0.2353 441 LEU B CB 3283 C CG . LEU B 204 ? 0.6358 1.0764 0.9932 0.0853 0.0120 -0.2307 441 LEU B CG 3284 C CD1 . LEU B 204 ? 0.5560 1.0382 0.8826 0.0902 0.0168 -0.2030 441 LEU B CD1 3285 C CD2 . LEU B 204 ? 0.8414 1.2280 1.2207 0.0678 0.0143 -0.2080 441 LEU B CD2 3286 N N . SER B 205 ? 0.7214 1.2829 1.0346 0.1358 -0.0025 -0.3272 442 SER B N 3287 C CA . SER B 205 ? 0.7952 1.3902 1.1138 0.1469 -0.0222 -0.3777 442 SER B CA 3288 C C . SER B 205 ? 0.7733 1.4378 1.0544 0.1595 -0.0254 -0.3746 442 SER B C 3289 O O . SER B 205 ? 0.7394 1.4321 0.9861 0.1631 -0.0110 -0.3354 442 SER B O 3290 C CB . SER B 205 ? 1.0065 1.6042 1.3286 0.1607 -0.0300 -0.4219 442 SER B CB 3291 O OG . SER B 205 ? 0.8649 1.5034 1.1446 0.1769 -0.0183 -0.4121 442 SER B OG 3292 N N . LEU B 206 ? 0.9380 1.6309 1.2302 0.1659 -0.0455 -0.4149 443 LEU B N 3293 C CA . LEU B 206 ? 0.9942 1.7596 1.2534 0.1794 -0.0521 -0.4160 443 LEU B CA 3294 C C . LEU B 206 ? 1.1135 1.9324 1.3180 0.1994 -0.0423 -0.4110 443 LEU B C 3295 O O . LEU B 206 ? 1.2938 2.1046 1.4935 0.2083 -0.0426 -0.4356 443 LEU B O 3296 C CB . LEU B 206 ? 1.0770 1.8518 1.3502 0.1816 -0.0812 -0.4670 443 LEU B CB 3297 C CG . LEU B 206 ? 1.1570 2.0106 1.3790 0.1995 -0.0899 -0.4727 443 LEU B CG 3298 C CD1 . LEU B 206 ? 0.7070 1.5766 0.9256 0.1877 -0.1000 -0.4406 443 LEU B CD1 3299 C CD2 . LEU B 206 ? 1.4383 2.3354 1.6372 0.2236 -0.1065 -0.5368 443 LEU B CD2 3300 N N . SER B 207 ? 1.1697 2.0419 1.3385 0.2051 -0.0346 -0.3732 444 SER B N 3301 C CA . SER B 207 ? 1.4747 2.4062 1.5936 0.2237 -0.0265 -0.3608 444 SER B CA 3302 C C . SER B 207 ? 1.2649 2.2674 1.3534 0.2454 -0.0454 -0.4013 444 SER B C 3303 O O . SER B 207 ? 1.0679 2.1312 1.1164 0.2616 -0.0409 -0.3843 444 SER B O 3304 C CB . SER B 207 ? 1.6757 2.6276 1.7748 0.2179 -0.0093 -0.2928 444 SER B CB 3305 O OG . SER B 207 ? 1.7212 2.7498 1.7745 0.2373 -0.0071 -0.2799 444 SER B OG # _database_PDB_caveat.id 1 _database_PDB_caveat.text 'NAG B 501 HAS WRONG CHIRALITY AT ATOM C1' # 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 PRO 1 238 ? ? ? A . n A 1 2 SER 2 239 ? ? ? A . n A 1 3 VAL 3 240 240 VAL VAL A . n A 1 4 PHE 4 241 241 PHE PHE A . n A 1 5 LEU 5 242 242 LEU LEU A . n A 1 6 PHE 6 243 243 PHE PHE A . n A 1 7 PRO 7 244 244 PRO PRO A . n A 1 8 PRO 8 245 245 PRO PRO A . n A 1 9 LYS 9 246 246 LYS LYS A . n A 1 10 PRO 10 247 247 PRO PRO A . n A 1 11 LYS 11 248 248 LYS LYS A . n A 1 12 ASP 12 249 249 ASP ASP A . n A 1 13 THR 13 250 250 THR THR A . n A 1 14 LEU 14 251 251 LEU LEU A . n A 1 15 MET 15 252 252 MET MET A . n A 1 16 ILE 16 253 253 ILE ILE A . n A 1 17 ALA 17 254 254 ALA ALA A . n A 1 18 ARG 18 255 255 ARG ARG A . n A 1 19 THR 19 256 256 THR THR A . n A 1 20 PRO 20 257 257 PRO PRO A . n A 1 21 GLU 21 258 258 GLU GLU A . n A 1 22 VAL 22 259 259 VAL VAL A . n A 1 23 THR 23 260 260 THR THR A . n A 1 24 CYS 24 261 261 CYS CYS A . n A 1 25 VAL 25 262 262 VAL VAL A . n A 1 26 VAL 26 263 263 VAL VAL A . n A 1 27 VAL 27 264 264 VAL VAL A . n A 1 28 ASP 28 265 265 ASP ASP A . n A 1 29 VAL 29 266 266 VAL VAL A . n A 1 30 SER 30 267 267 SER SER A . n A 1 31 HIS 31 268 268 HIS HIS A . n A 1 32 GLU 32 269 269 GLU GLU A . n A 1 33 ASP 33 270 270 ASP ASP A . n A 1 34 PRO 34 271 271 PRO PRO A . n A 1 35 GLU 35 272 272 GLU GLU A . n A 1 36 VAL 36 273 273 VAL VAL A . n A 1 37 LYS 37 274 274 LYS LYS A . n A 1 38 PHE 38 275 275 PHE PHE A . n A 1 39 ASN 39 276 276 ASN ASN A . n A 1 40 TRP 40 277 277 TRP TRP A . n A 1 41 TYR 41 278 278 TYR TYR A . n A 1 42 VAL 42 279 279 VAL VAL A . n A 1 43 ASP 43 280 280 ASP ASP A . n A 1 44 GLY 44 281 281 GLY GLY A . n A 1 45 VAL 45 282 282 VAL VAL A . n A 1 46 GLU 46 283 283 GLU GLU A . n A 1 47 VAL 47 284 284 VAL VAL A . n A 1 48 HIS 48 285 285 HIS HIS A . n A 1 49 ASN 49 286 286 ASN ASN A . n A 1 50 ALA 50 287 287 ALA ALA A . n A 1 51 LYS 51 288 288 LYS LYS A . n A 1 52 THR 52 289 289 THR THR A . n A 1 53 LYS 53 290 290 LYS LYS A . n A 1 54 PRO 54 291 291 PRO PRO A . n A 1 55 ARG 55 292 292 ARG ARG A . n A 1 56 GLU 56 293 293 GLU GLU A . n A 1 57 GLU 57 294 294 GLU GLU A . n A 1 58 GLN 58 295 295 GLN GLN A . n A 1 59 TYR 59 296 296 TYR TYR A . n A 1 60 ASN 60 297 297 ASN ASN A . n A 1 61 SER 61 298 298 SER SER A . n A 1 62 THR 62 299 299 THR THR A . n A 1 63 TYR 63 300 300 TYR TYR A . n A 1 64 ARG 64 301 301 ARG ARG A . n A 1 65 VAL 65 302 302 VAL VAL A . n A 1 66 VAL 66 303 303 VAL VAL A . n A 1 67 SER 67 304 304 SER SER A . n A 1 68 VAL 68 305 305 VAL VAL A . n A 1 69 LEU 69 306 306 LEU LEU A . n A 1 70 THR 70 307 307 THR THR A . n A 1 71 VAL 71 308 308 VAL VAL A . n A 1 72 LEU 72 309 309 LEU LEU A . n A 1 73 HIS 73 310 310 HIS HIS A . n A 1 74 GLN 74 311 311 GLN GLN A . n A 1 75 ASP 75 312 312 ASP ASP A . n A 1 76 TRP 76 313 313 TRP TRP A . n A 1 77 LEU 77 314 314 LEU LEU A . n A 1 78 ASN 78 315 315 ASN ASN A . n A 1 79 GLY 79 316 316 GLY GLY A . n A 1 80 LYS 80 317 317 LYS LYS A . n A 1 81 GLU 81 318 318 GLU GLU A . n A 1 82 TYR 82 319 319 TYR TYR A . n A 1 83 LYS 83 320 320 LYS LYS A . n A 1 84 CYS 84 321 321 CYS CYS A . n A 1 85 LYS 85 322 322 LYS LYS A . n A 1 86 VAL 86 323 323 VAL VAL A . n A 1 87 SER 87 324 324 SER SER A . n A 1 88 ASN 88 325 325 ASN ASN A . n A 1 89 LYS 89 326 326 LYS LYS A . n A 1 90 ALA 90 327 327 ALA ALA A . n A 1 91 LEU 91 328 328 LEU LEU A . n A 1 92 PRO 92 329 329 PRO PRO A . n A 1 93 ALA 93 330 330 ALA ALA A . n A 1 94 PRO 94 331 331 PRO PRO A . n A 1 95 ILE 95 332 332 ILE ILE A . n A 1 96 GLU 96 333 333 GLU GLU A . n A 1 97 LYS 97 334 334 LYS LYS A . n A 1 98 THR 98 335 335 THR THR A . n A 1 99 ILE 99 336 336 ILE ILE A . n A 1 100 SER 100 337 337 SER SER A . n A 1 101 LYS 101 338 338 LYS LYS A . n A 1 102 ALA 102 339 339 ALA ALA A . n A 1 103 LYS 103 340 340 LYS LYS A . n A 1 104 GLY 104 341 341 GLY GLY A . n A 1 105 GLN 105 342 342 GLN GLN A . n A 1 106 PRO 106 343 343 PRO PRO A . n A 1 107 ARG 107 344 344 ARG ARG A . n A 1 108 GLU 108 345 345 GLU GLU A . n A 1 109 PRO 109 346 346 PRO PRO A . n A 1 110 GLN 110 347 347 GLN GLN A . n A 1 111 VAL 111 348 348 VAL VAL A . n A 1 112 TYR 112 349 349 TYR TYR A . n A 1 113 THR 113 350 350 THR THR A . n A 1 114 LEU 114 351 351 LEU LEU A . n A 1 115 PRO 115 352 352 PRO PRO A . n A 1 116 PRO 116 353 353 PRO PRO A . n A 1 117 SER 117 354 354 SER SER A . n A 1 118 ARG 118 355 355 ARG ARG A . n A 1 119 ASP 119 356 356 ASP ASP A . n A 1 120 GLU 120 357 357 GLU GLU A . n A 1 121 LEU 121 358 358 LEU LEU A . n A 1 122 THR 122 359 359 THR THR A . n A 1 123 LYS 123 360 360 LYS LYS A . n A 1 124 ASN 124 361 361 ASN ASN A . n A 1 125 GLN 125 362 362 GLN GLN A . n A 1 126 VAL 126 363 363 VAL VAL A . n A 1 127 SER 127 364 364 SER SER A . n A 1 128 LEU 128 365 365 LEU LEU A . n A 1 129 THR 129 366 366 THR THR A . n A 1 130 CYS 130 367 367 CYS CYS A . n A 1 131 LEU 131 368 368 LEU LEU A . n A 1 132 VAL 132 369 369 VAL VAL A . n A 1 133 LYS 133 370 370 LYS LYS A . n A 1 134 GLY 134 371 371 GLY GLY A . n A 1 135 PHE 135 372 372 PHE PHE A . n A 1 136 TYR 136 373 373 TYR TYR A . n A 1 137 PRO 137 374 374 PRO PRO A . n A 1 138 SER 138 375 375 SER SER A . n A 1 139 ASP 139 376 376 ASP ASP A . n A 1 140 ILE 140 377 377 ILE ILE A . n A 1 141 ALA 141 378 378 ALA ALA A . n A 1 142 VAL 142 379 379 VAL VAL A . n A 1 143 GLU 143 380 380 GLU GLU A . n A 1 144 TRP 144 381 381 TRP TRP A . n A 1 145 GLU 145 382 382 GLU GLU A . n A 1 146 SER 146 383 383 SER SER A . n A 1 147 ASN 147 384 384 ASN ASN A . n A 1 148 GLY 148 385 385 GLY GLY A . n A 1 149 GLN 149 386 386 GLN GLN A . n A 1 150 PRO 150 387 387 PRO PRO A . n A 1 151 GLU 151 388 388 GLU GLU A . n A 1 152 ASN 152 389 389 ASN ASN A . n A 1 153 ASN 153 390 390 ASN ASN A . n A 1 154 TYR 154 391 391 TYR TYR A . n A 1 155 LYS 155 392 392 LYS LYS A . n A 1 156 THR 156 393 393 THR THR A . n A 1 157 THR 157 394 394 THR THR A . n A 1 158 PRO 158 395 395 PRO PRO A . n A 1 159 PRO 159 396 396 PRO PRO A . n A 1 160 VAL 160 397 397 VAL VAL A . n A 1 161 LEU 161 398 398 LEU LEU A . n A 1 162 ASP 162 399 399 ASP ASP A . n A 1 163 SER 163 400 400 SER SER A . n A 1 164 ASP 164 401 401 ASP ASP A . n A 1 165 GLY 165 402 402 GLY GLY A . n A 1 166 SER 166 403 403 SER SER A . n A 1 167 PHE 167 404 404 PHE PHE A . n A 1 168 PHE 168 405 405 PHE PHE A . n A 1 169 LEU 169 406 406 LEU LEU A . n A 1 170 TYR 170 407 407 TYR TYR A . n A 1 171 SER 171 408 408 SER SER A . n A 1 172 LYS 172 409 409 LYS LYS A . n A 1 173 LEU 173 410 410 LEU LEU A . n A 1 174 THR 174 411 411 THR THR A . n A 1 175 VAL 175 412 412 VAL VAL A . n A 1 176 ASP 176 413 413 ASP ASP A . n A 1 177 LYS 177 414 414 LYS LYS A . n A 1 178 SER 178 415 415 SER SER A . n A 1 179 ARG 179 416 416 ARG ARG A . n A 1 180 TRP 180 417 417 TRP TRP A . n A 1 181 GLN 181 418 418 GLN GLN A . n A 1 182 GLN 182 419 419 GLN GLN A . n A 1 183 GLY 183 420 420 GLY GLY A . n A 1 184 ASN 184 421 421 ASN ASN A . n A 1 185 VAL 185 422 422 VAL VAL A . n A 1 186 PHE 186 423 423 PHE PHE A . n A 1 187 SER 187 424 424 SER SER A . n A 1 188 CYS 188 425 425 CYS CYS A . n A 1 189 SER 189 426 426 SER SER A . n A 1 190 VAL 190 427 427 VAL VAL A . n A 1 191 MET 191 428 428 MET MET A . n A 1 192 HIS 192 429 429 HIS HIS A . n A 1 193 GLU 193 430 430 GLU GLU A . n A 1 194 ALA 194 431 431 ALA ALA A . n A 1 195 LEU 195 432 432 LEU LEU A . n A 1 196 HIS 196 433 433 HIS HIS A . n A 1 197 ASN 197 434 434 ASN ASN A . n A 1 198 HIS 198 435 435 HIS HIS A . n A 1 199 TYR 199 436 436 TYR TYR A . n A 1 200 THR 200 437 437 THR THR A . n A 1 201 GLN 201 438 438 GLN GLN A . n A 1 202 LYS 202 439 439 LYS LYS A . n A 1 203 SER 203 440 440 SER SER A . n A 1 204 LEU 204 441 441 LEU LEU A . n A 1 205 SER 205 442 442 SER SER A . n A 1 206 LEU 206 443 443 LEU LEU A . n A 1 207 SER 207 444 444 SER SER A . n B 1 1 PRO 1 238 238 PRO PRO B . n B 1 2 SER 2 239 239 SER SER B . n B 1 3 VAL 3 240 240 VAL VAL B . n B 1 4 PHE 4 241 241 PHE PHE B . n B 1 5 LEU 5 242 242 LEU LEU B . n B 1 6 PHE 6 243 243 PHE PHE B . n B 1 7 PRO 7 244 244 PRO PRO B . n B 1 8 PRO 8 245 245 PRO PRO B . n B 1 9 LYS 9 246 246 LYS LYS B . n B 1 10 PRO 10 247 247 PRO PRO B . n B 1 11 LYS 11 248 248 LYS LYS B . n B 1 12 ASP 12 249 249 ASP ASP B . n B 1 13 THR 13 250 250 THR THR B . n B 1 14 LEU 14 251 251 LEU LEU B . n B 1 15 MET 15 252 252 MET MET B . n B 1 16 ILE 16 253 253 ILE ILE B . n B 1 17 ALA 17 254 254 ALA ALA B . n B 1 18 ARG 18 255 255 ARG ARG B . n B 1 19 THR 19 256 256 THR THR B . n B 1 20 PRO 20 257 257 PRO PRO B . n B 1 21 GLU 21 258 258 GLU GLU B . n B 1 22 VAL 22 259 259 VAL VAL B . n B 1 23 THR 23 260 260 THR THR B . n B 1 24 CYS 24 261 261 CYS CYS B . n B 1 25 VAL 25 262 262 VAL VAL B . n B 1 26 VAL 26 263 263 VAL VAL B . n B 1 27 VAL 27 264 264 VAL VAL B . n B 1 28 ASP 28 265 265 ASP ASP B . n B 1 29 VAL 29 266 266 VAL VAL B . n B 1 30 SER 30 267 267 SER SER B . n B 1 31 HIS 31 268 268 HIS HIS B . n B 1 32 GLU 32 269 269 GLU GLU B . n B 1 33 ASP 33 270 270 ASP ASP B . n B 1 34 PRO 34 271 271 PRO PRO B . n B 1 35 GLU 35 272 272 GLU GLU B . n B 1 36 VAL 36 273 273 VAL VAL B . n B 1 37 LYS 37 274 274 LYS LYS B . n B 1 38 PHE 38 275 275 PHE PHE B . n B 1 39 ASN 39 276 276 ASN ASN B . n B 1 40 TRP 40 277 277 TRP TRP B . n B 1 41 TYR 41 278 278 TYR TYR B . n B 1 42 VAL 42 279 279 VAL VAL B . n B 1 43 ASP 43 280 280 ASP ASP B . n B 1 44 GLY 44 281 281 GLY GLY B . n B 1 45 VAL 45 282 282 VAL VAL B . n B 1 46 GLU 46 283 283 GLU GLU B . n B 1 47 VAL 47 284 284 VAL VAL B . n B 1 48 HIS 48 285 285 HIS HIS B . n B 1 49 ASN 49 286 286 ASN ASN B . n B 1 50 ALA 50 287 287 ALA ALA B . n B 1 51 LYS 51 288 288 LYS LYS B . n B 1 52 THR 52 289 289 THR THR B . n B 1 53 LYS 53 290 290 LYS LYS B . n B 1 54 PRO 54 291 291 PRO PRO B . n B 1 55 ARG 55 292 292 ARG ARG B . n B 1 56 GLU 56 293 293 GLU GLU B . n B 1 57 GLU 57 294 294 GLU GLU B . n B 1 58 GLN 58 295 295 GLN GLN B . n B 1 59 TYR 59 296 296 TYR TYR B . n B 1 60 ASN 60 297 297 ASN ASN B . n B 1 61 SER 61 298 298 SER SER B . n B 1 62 THR 62 299 299 THR THR B . n B 1 63 TYR 63 300 300 TYR TYR B . n B 1 64 ARG 64 301 301 ARG ARG B . n B 1 65 VAL 65 302 302 VAL VAL B . n B 1 66 VAL 66 303 303 VAL VAL B . n B 1 67 SER 67 304 304 SER SER B . n B 1 68 VAL 68 305 305 VAL VAL B . n B 1 69 LEU 69 306 306 LEU LEU B . n B 1 70 THR 70 307 307 THR THR B . n B 1 71 VAL 71 308 308 VAL VAL B . n B 1 72 LEU 72 309 309 LEU LEU B . n B 1 73 HIS 73 310 310 HIS HIS B . n B 1 74 GLN 74 311 311 GLN GLN B . n B 1 75 ASP 75 312 312 ASP ASP B . n B 1 76 TRP 76 313 313 TRP TRP B . n B 1 77 LEU 77 314 314 LEU LEU B . n B 1 78 ASN 78 315 315 ASN ASN B . n B 1 79 GLY 79 316 316 GLY GLY B . n B 1 80 LYS 80 317 317 LYS LYS B . n B 1 81 GLU 81 318 318 GLU GLU B . n B 1 82 TYR 82 319 319 TYR TYR B . n B 1 83 LYS 83 320 320 LYS LYS B . n B 1 84 CYS 84 321 321 CYS CYS B . n B 1 85 LYS 85 322 322 LYS LYS B . n B 1 86 VAL 86 323 323 VAL VAL B . n B 1 87 SER 87 324 324 SER SER B . n B 1 88 ASN 88 325 325 ASN ASN B . n B 1 89 LYS 89 326 326 LYS LYS B . n B 1 90 ALA 90 327 327 ALA ALA B . n B 1 91 LEU 91 328 328 LEU LEU B . n B 1 92 PRO 92 329 329 PRO PRO B . n B 1 93 ALA 93 330 330 ALA ALA B . n B 1 94 PRO 94 331 331 PRO PRO B . n B 1 95 ILE 95 332 332 ILE ILE B . n B 1 96 GLU 96 333 333 GLU GLU B . n B 1 97 LYS 97 334 334 LYS LYS B . n B 1 98 THR 98 335 335 THR THR B . n B 1 99 ILE 99 336 336 ILE ILE B . n B 1 100 SER 100 337 337 SER SER B . n B 1 101 LYS 101 338 338 LYS LYS B . n B 1 102 ALA 102 339 339 ALA ALA B . n B 1 103 LYS 103 340 340 LYS LYS B . n B 1 104 GLY 104 341 341 GLY GLY B . n B 1 105 GLN 105 342 342 GLN GLN B . n B 1 106 PRO 106 343 343 PRO PRO B . n B 1 107 ARG 107 344 344 ARG ARG B . n B 1 108 GLU 108 345 345 GLU GLU B . n B 1 109 PRO 109 346 346 PRO PRO B . n B 1 110 GLN 110 347 347 GLN GLN B . n B 1 111 VAL 111 348 348 VAL VAL B . n B 1 112 TYR 112 349 349 TYR TYR B . n B 1 113 THR 113 350 350 THR THR B . n B 1 114 LEU 114 351 351 LEU LEU B . n B 1 115 PRO 115 352 352 PRO PRO B . n B 1 116 PRO 116 353 353 PRO PRO B . n B 1 117 SER 117 354 354 SER SER B . n B 1 118 ARG 118 355 355 ARG ARG B . n B 1 119 ASP 119 356 356 ASP ASP B . n B 1 120 GLU 120 357 357 GLU GLU B . n B 1 121 LEU 121 358 358 LEU LEU B . n B 1 122 THR 122 359 359 THR THR B . n B 1 123 LYS 123 360 360 LYS LYS B . n B 1 124 ASN 124 361 361 ASN ASN B . n B 1 125 GLN 125 362 362 GLN GLN B . n B 1 126 VAL 126 363 363 VAL VAL B . n B 1 127 SER 127 364 364 SER SER B . n B 1 128 LEU 128 365 365 LEU LEU B . n B 1 129 THR 129 366 366 THR THR B . n B 1 130 CYS 130 367 367 CYS CYS B . n B 1 131 LEU 131 368 368 LEU LEU B . n B 1 132 VAL 132 369 369 VAL VAL B . n B 1 133 LYS 133 370 370 LYS LYS B . n B 1 134 GLY 134 371 371 GLY GLY B . n B 1 135 PHE 135 372 372 PHE PHE B . n B 1 136 TYR 136 373 373 TYR TYR B . n B 1 137 PRO 137 374 374 PRO PRO B . n B 1 138 SER 138 375 375 SER SER B . n B 1 139 ASP 139 376 376 ASP ASP B . n B 1 140 ILE 140 377 377 ILE ILE B . n B 1 141 ALA 141 378 378 ALA ALA B . n B 1 142 VAL 142 379 379 VAL VAL B . n B 1 143 GLU 143 380 380 GLU GLU B . n B 1 144 TRP 144 381 381 TRP TRP B . n B 1 145 GLU 145 382 382 GLU GLU B . n B 1 146 SER 146 383 383 SER SER B . n B 1 147 ASN 147 384 384 ASN ASN B . n B 1 148 GLY 148 385 385 GLY GLY B . n B 1 149 GLN 149 386 386 GLN GLN B . n B 1 150 PRO 150 387 387 PRO PRO B . n B 1 151 GLU 151 388 388 GLU GLU B . n B 1 152 ASN 152 389 389 ASN ASN B . n B 1 153 ASN 153 390 390 ASN ASN B . n B 1 154 TYR 154 391 391 TYR TYR B . n B 1 155 LYS 155 392 392 LYS LYS B . n B 1 156 THR 156 393 393 THR THR B . n B 1 157 THR 157 394 394 THR THR B . n B 1 158 PRO 158 395 395 PRO PRO B . n B 1 159 PRO 159 396 396 PRO PRO B . n B 1 160 VAL 160 397 397 VAL VAL B . n B 1 161 LEU 161 398 398 LEU LEU B . n B 1 162 ASP 162 399 399 ASP ASP B . n B 1 163 SER 163 400 400 SER SER B . n B 1 164 ASP 164 401 401 ASP ASP B . n B 1 165 GLY 165 402 402 GLY GLY B . n B 1 166 SER 166 403 403 SER SER B . n B 1 167 PHE 167 404 404 PHE PHE B . n B 1 168 PHE 168 405 405 PHE PHE B . n B 1 169 LEU 169 406 406 LEU LEU B . n B 1 170 TYR 170 407 407 TYR TYR B . n B 1 171 SER 171 408 408 SER SER B . n B 1 172 LYS 172 409 409 LYS LYS B . n B 1 173 LEU 173 410 410 LEU LEU B . n B 1 174 THR 174 411 411 THR THR B . n B 1 175 VAL 175 412 412 VAL VAL B . n B 1 176 ASP 176 413 413 ASP ASP B . n B 1 177 LYS 177 414 414 LYS LYS B . n B 1 178 SER 178 415 415 SER SER B . n B 1 179 ARG 179 416 416 ARG ARG B . n B 1 180 TRP 180 417 417 TRP TRP B . n B 1 181 GLN 181 418 418 GLN GLN B . n B 1 182 GLN 182 419 419 GLN GLN B . n B 1 183 GLY 183 420 420 GLY GLY B . n B 1 184 ASN 184 421 421 ASN ASN B . n B 1 185 VAL 185 422 422 VAL VAL B . n B 1 186 PHE 186 423 423 PHE PHE B . n B 1 187 SER 187 424 424 SER SER B . n B 1 188 CYS 188 425 425 CYS CYS B . n B 1 189 SER 189 426 426 SER SER B . n B 1 190 VAL 190 427 427 VAL VAL B . n B 1 191 MET 191 428 428 MET MET B . n B 1 192 HIS 192 429 429 HIS HIS B . n B 1 193 GLU 193 430 430 GLU GLU B . n B 1 194 ALA 194 431 431 ALA ALA B . n B 1 195 LEU 195 432 432 LEU LEU B . n B 1 196 HIS 196 433 433 HIS HIS B . n B 1 197 ASN 197 434 434 ASN ASN B . n B 1 198 HIS 198 435 435 HIS HIS B . n B 1 199 TYR 199 436 436 TYR TYR B . n B 1 200 THR 200 437 437 THR THR B . n B 1 201 GLN 201 438 438 GLN GLN B . n B 1 202 LYS 202 439 439 LYS LYS B . n B 1 203 SER 203 440 440 SER SER B . n B 1 204 LEU 204 441 441 LEU LEU B . n B 1 205 SER 205 442 442 SER SER B . n B 1 206 LEU 206 443 443 LEU LEU B . n B 1 207 SER 207 444 444 SER SER B . 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 C 2 NAG 1 501 1 NAG NAG A . D 2 NAG 2 502 2 NAG NAG A . E 3 BMA 3 503 3 BMA MAN A . F 4 MAN 4 504 4 MAN MAN A . G 2 NAG 5 505 5 NAG NAG A . H 4 MAN 6 506 7 MAN MAN A . I 2 NAG 7 507 8 NAG NAG A . J 5 FUC 8 508 11 FUC FUC A . K 6 EDO 1 509 2 EDO EDO A . L 2 NAG 1 501 1 NAG NAG B . M 2 NAG 2 502 2 NAG NAG B . N 3 BMA 3 503 3 BMA MAN B . O 4 MAN 4 504 4 MAN MAN B . P 2 NAG 5 505 5 NAG NAG B . Q 4 MAN 6 506 7 MAN MAN B . R 2 NAG 7 507 8 NAG NAG B . S 5 FUC 8 508 11 FUC FUC B . T 6 EDO 1 509 1 EDO EDO B . U 6 EDO 1 510 3 EDO EDO B . V 7 HOH 1 601 1 HOH HOH A . V 7 HOH 2 602 14 HOH HOH A . V 7 HOH 3 603 2 HOH HOH A . V 7 HOH 4 604 3 HOH HOH A . V 7 HOH 5 605 4 HOH HOH A . V 7 HOH 6 606 6 HOH HOH A . V 7 HOH 7 607 8 HOH HOH A . V 7 HOH 8 608 15 HOH HOH A . V 7 HOH 9 609 16 HOH HOH A . V 7 HOH 10 610 21 HOH HOH A . V 7 HOH 11 611 22 HOH HOH A . V 7 HOH 12 612 23 HOH HOH A . V 7 HOH 13 613 26 HOH HOH A . V 7 HOH 14 614 27 HOH HOH A . V 7 HOH 15 615 31 HOH HOH A . V 7 HOH 16 616 32 HOH HOH A . W 7 HOH 1 601 11 HOH HOH B . W 7 HOH 2 602 5 HOH HOH B . W 7 HOH 3 603 7 HOH HOH B . W 7 HOH 4 604 9 HOH HOH B . W 7 HOH 5 605 10 HOH HOH B . W 7 HOH 6 606 12 HOH HOH B . W 7 HOH 7 607 13 HOH HOH B . W 7 HOH 8 608 17 HOH HOH B . W 7 HOH 9 609 18 HOH HOH B . W 7 HOH 10 610 19 HOH HOH B . W 7 HOH 11 611 20 HOH HOH B . W 7 HOH 12 612 24 HOH HOH B . W 7 HOH 13 613 25 HOH HOH B . W 7 HOH 14 614 28 HOH HOH B . W 7 HOH 15 615 29 HOH HOH B . W 7 HOH 16 616 30 HOH HOH B . W 7 HOH 17 617 33 HOH HOH B . # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details dimeric _pdbx_struct_assembly.oligomeric_count 2 # _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,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W # 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)' 7730 ? 1 MORE 54 ? 1 'SSA (A^2)' 21950 ? # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2015-09-30 2 'Structure model' 1 1 2017-09-13 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Author supporting evidence' 2 2 'Structure model' 'Data collection' 3 2 'Structure model' 'Derived calculations' # loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 2 'Structure model' diffrn_source 2 2 'Structure model' pdbx_audit_support 3 2 'Structure model' pdbx_struct_oper_list # loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 2 'Structure model' '_diffrn_source.pdbx_synchrotron_site' 2 2 'Structure model' '_pdbx_audit_support.funding_organization' 3 2 'Structure model' '_pdbx_struct_oper_list.symmetry_operation' # loop_ _pdbx_refine_tls.id _pdbx_refine_tls.pdbx_refine_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[1][1]_esd _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][2]_esd _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[1][3]_esd _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[2][2]_esd _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.T[2][3]_esd _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[3][3]_esd _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[1][1]_esd _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][2]_esd _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[1][3]_esd _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[2][2]_esd _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.L[2][3]_esd _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[3][3]_esd _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[1][1]_esd _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][2]_esd _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[1][3]_esd _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[2][1]_esd _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[2][2]_esd _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[2][3]_esd _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][1]_esd _pdbx_refine_tls.S[3][2] _pdbx_refine_tls.S[3][2]_esd _pdbx_refine_tls.S[3][3] _pdbx_refine_tls.S[3][3]_esd 1 'X-RAY DIFFRACTION' ? refined -9.4581 -14.9985 22.8466 0.4067 ? -0.1423 ? 0.0155 ? 0.3230 ? -0.0235 ? 0.5363 ? 4.4239 ? 2.2020 ? -3.1879 ? 7.6182 ? -2.7236 ? 4.4756 ? -0.2095 ? 0.6641 ? -0.9020 ? -1.1764 ? 0.8304 ? 0.4251 ? 0.3341 ? -0.7757 ? -0.4496 ? 2 'X-RAY DIFFRACTION' ? refined -14.8365 -15.9938 -1.5187 1.7688 ? -0.3847 ? -0.5739 ? 1.6339 ? -0.2577 ? 1.0388 ? 0.9972 ? -0.0377 ? 1.1344 ? 0.2134 ? 0.4489 ? 2.4309 ? -0.1370 ? 0.3361 ? -0.1050 ? -0.2809 ? -0.7619 ? 0.6819 ? 0.8103 ? -0.7668 ? 0.4712 ? 3 'X-RAY DIFFRACTION' ? refined -8.6863 -18.0715 7.5720 1.0359 ? -0.2109 ? -0.2414 ? 0.7434 ? -0.1558 ? 0.6630 ? 8.3676 ? 1.2376 ? 0.0270 ? 4.2128 ? 0.2906 ? 2.2757 ? 0.1200 ? 1.4932 ? -0.6089 ? -1.5822 ? -0.0621 ? 1.2655 ? 0.6901 ? -0.8054 ? -0.0572 ? 4 'X-RAY DIFFRACTION' ? refined -16.2061 -8.4311 34.8615 -0.0420 ? 0.0336 ? -0.0388 ? 0.0675 ? 0.0491 ? 0.4193 ? 4.3236 ? -0.4439 ? -0.8910 ? 2.6663 ? 0.4247 ? 1.0210 ? -0.0996 ? -0.3062 ? -0.2287 ? -0.1009 ? 0.1281 ? -0.0015 ? 0.0044 ? 0.0376 ? 0.0756 ? 5 'X-RAY DIFFRACTION' ? refined -31.6029 12.8276 10.9203 1.1234 ? -0.2275 ? 0.1963 ? 0.3181 ? 0.0465 ? 0.6652 ? 5.5609 ? -0.3197 ? -1.0404 ? 1.3396 ? -1.0116 ? 1.6382 ? -0.1131 ? 0.9585 ? -0.0267 ? -1.7975 ? 0.0406 ? -0.3628 ? -0.0245 ? 0.0069 ? -0.3442 ? 6 'X-RAY DIFFRACTION' ? refined -35.2978 12.5677 6.5564 1.4578 ? -0.2034 ? 0.1765 ? 0.4352 ? 0.0109 ? 0.6968 ? 1.5548 ? 0.2990 ? -0.8821 ? 1.6265 ? -1.3413 ? 4.0602 ? -0.6116 ? 0.8171 ? 0.0629 ? -2.1414 ? 0.4426 ? -0.3612 ? 0.8186 ? 0.0133 ? 0.1939 ? 7 'X-RAY DIFFRACTION' ? refined -30.8282 2.4333 36.3042 0.4090 ? -0.0085 ? 0.1048 ? 0.0499 ? -0.0581 ? 0.3260 ? 4.7181 ? -1.0602 ? 0.1486 ? 2.8600 ? -0.5780 ? 3.3723 ? -0.5719 ? -0.5322 ? 0.7425 ? -0.2289 ? 0.0431 ? -0.3355 ? 0.2038 ? -0.1419 ? 0.3369 ? 8 'X-RAY DIFFRACTION' ? refined -30.4740 7.7679 39.8119 0.1144 ? 0.0252 ? 0.0566 ? 0.3275 ? -0.1037 ? 0.5948 ? 5.2512 ? -0.9713 ? 0.9366 ? 2.4185 ? -0.9075 ? 1.7700 ? -0.1832 ? -0.8756 ? 0.8072 ? 0.1614 ? 0.1972 ? -0.1380 ? -0.1927 ? -0.0447 ? -0.0943 ? # loop_ _pdbx_refine_tls_group.id _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.selection _pdbx_refine_tls_group.selection_details 1 'X-RAY DIFFRACTION' 1 ? ? ? ? ? ? ? ? ? ;chain 'A' and (resseq 240:262) ; 2 'X-RAY DIFFRACTION' 2 ? ? ? ? ? ? ? ? ? ;chain 'A' and (resseq 263:273) ; 3 'X-RAY DIFFRACTION' 3 ? ? ? ? ? ? ? ? ? ;chain 'A' and (resseq 274:302) ; 4 'X-RAY DIFFRACTION' 4 ? ? ? ? ? ? ? ? ? ;chain 'A' and (resseq 303:444) ; 5 'X-RAY DIFFRACTION' 5 ? ? ? ? ? ? ? ? ? ;chain 'B' and (resseq 238:274) ; 6 'X-RAY DIFFRACTION' 6 ? ? ? ? ? ? ? ? ? ;chain 'B' and (resseq 275:332) ; 7 'X-RAY DIFFRACTION' 7 ? ? ? ? ? ? ? ? ? ;chain 'B' and (resseq 333:362) ; 8 'X-RAY DIFFRACTION' 8 ? ? ? ? ? ? ? ? ? ;chain 'B' and (resseq 363:444) ; # _software.citation_id ? _software.classification refinement _software.compiler_name ? _software.compiler_version ? _software.contact_author ? _software.contact_author_email ? _software.date ? _software.description ? _software.dependencies ? _software.hardware ? _software.language ? _software.location ? _software.mods ? _software.name PHENIX _software.os ? _software.os_version ? _software.type ? _software.version '(phenix.refine: 1.7.3_928)' _software.pdbx_ordinal 1 # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 NE2 A GLN 342 ? ? O A HOH 601 ? ? 1.81 2 1 OG B SER 383 ? ? O B VAL 422 ? ? 2.02 3 1 O B SER 267 ? ? OH B TYR 300 ? ? 2.03 4 1 O A HOH 604 ? ? O A HOH 605 ? ? 2.04 5 1 OG A SER 383 ? ? O A VAL 422 ? ? 2.04 6 1 OG B SER 403 ? ? O B HOH 615 ? ? 2.06 7 1 OG A SER 364 ? ? O A HOH 603 ? ? 2.06 8 1 O A SER 267 ? ? OH A TYR 300 ? ? 2.10 9 1 O A GLU 293 ? ? NE2 A GLN 295 ? ? 2.17 # _pdbx_validate_symm_contact.id 1 _pdbx_validate_symm_contact.PDB_model_num 1 _pdbx_validate_symm_contact.auth_atom_id_1 ND1 _pdbx_validate_symm_contact.auth_asym_id_1 B _pdbx_validate_symm_contact.auth_comp_id_1 HIS _pdbx_validate_symm_contact.auth_seq_id_1 268 _pdbx_validate_symm_contact.PDB_ins_code_1 ? _pdbx_validate_symm_contact.label_alt_id_1 ? _pdbx_validate_symm_contact.site_symmetry_1 1_555 _pdbx_validate_symm_contact.auth_atom_id_2 O _pdbx_validate_symm_contact.auth_asym_id_2 B _pdbx_validate_symm_contact.auth_comp_id_2 HIS _pdbx_validate_symm_contact.auth_seq_id_2 285 _pdbx_validate_symm_contact.PDB_ins_code_2 ? _pdbx_validate_symm_contact.label_alt_id_2 ? _pdbx_validate_symm_contact.site_symmetry_2 4_555 _pdbx_validate_symm_contact.dist 1.99 # loop_ _pdbx_validate_rmsd_bond.id _pdbx_validate_rmsd_bond.PDB_model_num _pdbx_validate_rmsd_bond.auth_atom_id_1 _pdbx_validate_rmsd_bond.auth_asym_id_1 _pdbx_validate_rmsd_bond.auth_comp_id_1 _pdbx_validate_rmsd_bond.auth_seq_id_1 _pdbx_validate_rmsd_bond.PDB_ins_code_1 _pdbx_validate_rmsd_bond.label_alt_id_1 _pdbx_validate_rmsd_bond.auth_atom_id_2 _pdbx_validate_rmsd_bond.auth_asym_id_2 _pdbx_validate_rmsd_bond.auth_comp_id_2 _pdbx_validate_rmsd_bond.auth_seq_id_2 _pdbx_validate_rmsd_bond.PDB_ins_code_2 _pdbx_validate_rmsd_bond.label_alt_id_2 _pdbx_validate_rmsd_bond.bond_value _pdbx_validate_rmsd_bond.bond_target_value _pdbx_validate_rmsd_bond.bond_deviation _pdbx_validate_rmsd_bond.bond_standard_deviation _pdbx_validate_rmsd_bond.linker_flag 1 1 CE1 A TYR 300 ? ? CZ A TYR 300 ? ? 1.267 1.381 -0.114 0.013 N 2 1 CD A GLN 386 ? ? OE1 A GLN 386 ? ? 1.065 1.235 -0.170 0.022 N 3 1 CB A GLN 419 ? ? CG A GLN 419 ? ? 1.347 1.521 -0.174 0.027 N 4 1 CB B VAL 266 ? ? CG2 B VAL 266 ? ? 1.374 1.524 -0.150 0.021 N 5 1 C B VAL 266 ? ? O B VAL 266 ? ? 1.347 1.229 0.118 0.019 N 6 1 CG B TYR 300 ? ? CD2 B TYR 300 ? ? 1.468 1.387 0.081 0.013 N 7 1 CD1 B TYR 300 ? ? CE1 B TYR 300 ? ? 1.258 1.389 -0.131 0.015 N 8 1 CD B GLN 386 ? ? OE1 B GLN 386 ? ? 1.083 1.235 -0.152 0.022 N 9 1 CB B GLN 419 ? ? CG B GLN 419 ? ? 1.358 1.521 -0.163 0.027 N # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 CG1 A VAL 263 ? ? CB A VAL 263 ? ? CG2 A VAL 263 ? ? 99.03 110.90 -11.87 1.60 N 2 1 CG1 A VAL 266 ? ? CB A VAL 266 ? ? CG2 A VAL 266 ? ? 121.86 110.90 10.96 1.60 N 3 1 O A PRO 291 ? ? C A PRO 291 ? ? N A ARG 292 ? ? 133.53 122.70 10.83 1.60 Y 4 1 CG1 A ILE 332 ? ? CB A ILE 332 ? ? CG2 A ILE 332 ? ? 97.56 111.40 -13.84 2.20 N 5 1 OE1 B GLU 272 ? ? CD B GLU 272 ? ? OE2 B GLU 272 ? ? 131.31 123.30 8.01 1.20 N 6 1 CA B PRO 291 ? ? C B PRO 291 ? ? N B ARG 292 ? ? 135.52 117.20 18.32 2.20 Y 7 1 NE B ARG 292 ? ? CZ B ARG 292 ? ? NH1 B ARG 292 ? ? 115.37 120.30 -4.93 0.50 N 8 1 CZ B TYR 300 ? ? CE2 B TYR 300 ? ? CD2 B TYR 300 ? ? 112.60 119.80 -7.20 0.90 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ASP A 265 ? ? 72.06 70.50 2 1 GLU A 269 ? ? -29.37 -64.55 3 1 ASN A 286 ? ? -87.44 31.73 4 1 GLU A 294 ? ? -44.68 89.52 5 1 ASN A 297 ? ? -61.70 33.73 6 1 SER A 298 ? ? 46.29 17.95 7 1 ARG A 301 ? ? -169.23 97.71 8 1 ALA A 431 ? ? -69.01 11.61 9 1 ASN A 434 ? ? 55.45 17.84 10 1 TYR A 436 ? ? -166.03 114.83 11 1 LEU A 441 ? ? -173.54 118.69 12 1 ASP B 265 ? ? 73.84 74.85 13 1 GLU B 269 ? ? -29.67 -65.42 14 1 ASN B 286 ? ? -87.09 35.63 15 1 ARG B 292 ? ? 110.09 98.54 16 1 GLU B 294 ? ? -56.23 -175.59 17 1 TYR B 296 ? ? -108.18 55.50 18 1 ASN B 297 ? ? -151.55 -3.67 19 1 SER B 298 ? ? 81.33 29.65 20 1 ARG B 301 ? ? -164.76 99.17 21 1 TYR B 373 ? ? -172.57 138.19 22 1 PRO B 374 ? ? -69.01 -172.38 23 1 ASN B 434 ? ? 57.94 14.74 24 1 TYR B 436 ? ? -167.43 115.76 25 1 LEU B 441 ? ? -171.53 118.63 # _pdbx_validate_peptide_omega.id 1 _pdbx_validate_peptide_omega.PDB_model_num 1 _pdbx_validate_peptide_omega.auth_comp_id_1 PRO _pdbx_validate_peptide_omega.auth_asym_id_1 B _pdbx_validate_peptide_omega.auth_seq_id_1 291 _pdbx_validate_peptide_omega.PDB_ins_code_1 ? _pdbx_validate_peptide_omega.label_alt_id_1 ? _pdbx_validate_peptide_omega.auth_comp_id_2 ARG _pdbx_validate_peptide_omega.auth_asym_id_2 B _pdbx_validate_peptide_omega.auth_seq_id_2 292 _pdbx_validate_peptide_omega.PDB_ins_code_2 ? _pdbx_validate_peptide_omega.label_alt_id_2 ? _pdbx_validate_peptide_omega.omega 32.30 # _pdbx_validate_chiral.id 1 _pdbx_validate_chiral.PDB_model_num 1 _pdbx_validate_chiral.auth_atom_id C1 _pdbx_validate_chiral.label_alt_id ? _pdbx_validate_chiral.auth_asym_id B _pdbx_validate_chiral.auth_comp_id NAG _pdbx_validate_chiral.auth_seq_id 501 _pdbx_validate_chiral.PDB_ins_code ? _pdbx_validate_chiral.details 'WRONG HAND' _pdbx_validate_chiral.omega . # 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 PRO 238 ? A PRO 1 2 1 Y 1 A SER 239 ? A SER 2 # loop_ _pdbx_audit_support.funding_organization _pdbx_audit_support.country _pdbx_audit_support.grant_number _pdbx_audit_support.ordinal 'National Health and Medical Research Council (Australia)' Australia 542512 1 'National Health and Medical Research Council (Australia)' Australia 1030469 2 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 BETA-D-MANNOSE BMA 4 ALPHA-D-MANNOSE MAN 5 ALPHA-L-FUCOSE FUC 6 1,2-ETHANEDIOL EDO 7 water HOH #