data_5CIS # _entry.id 5CIS # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.284 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 5CIS WWPDB D_1000211707 # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5CIS _pdbx_database_status.recvd_initial_deposition_date 2015-07-13 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBE _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 'Nan, R.' 1 'Furze, C.M.' 2 'Wright, D.W.' 3 'Gor, J.' 4 'Wallis, R.' 5 'Perkins, S.J.' 6 # _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 UK _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev Structure _citation.journal_id_ASTM STRUE6 _citation.journal_id_CSD 2005 _citation.journal_id_ISSN 1878-4186 _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume 25 _citation.language ? _citation.page_first 364 _citation.page_last 375 _citation.title 'Flexibility in Mannan-Binding Lectin-Associated Serine Proteases-1 and -2 Provides Insight on Lectin Pathway Activation.' _citation.year 2017 _citation.database_id_CSD ? _citation.pdbx_database_id_DOI 10.1016/j.str.2016.12.014 _citation.pdbx_database_id_PubMed 28111019 _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Nan, R.' 1 primary 'Furze, C.M.' 2 primary 'Wright, D.W.' 3 primary 'Gor, J.' 4 primary 'Wallis, R.' 5 primary 'Perkins, S.J.' 6 # _cell.length_a 66.930 _cell.length_b 98.300 _cell.length_c 121.410 _cell.angle_alpha 90.000 _cell.angle_beta 90.000 _cell.angle_gamma 90.000 _cell.entry_id 5CIS _cell.Z_PDB 8 _cell.pdbx_unique_axis ? # _symmetry.space_group_name_H-M 'C 2 2 21' _symmetry.entry_id 5CIS _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 20 # 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 'Mannan-binding lectin serine peptidase 2' 31526.973 1 ? ? 'UNP residues 21-298' ? 2 non-polymer syn 'CALCIUM ION' 40.078 3 ? ? ? ? 3 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 1 ? ? ? ? 4 water nat water 18.015 89 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'Mannan-binding lectin serine peptidase 2,isoform CRA_b,Mannan-binding lectin serine protease 2' # _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 ;KWPEPVFGRLVSPGFPEKYGNHQDRSWTLTAPPGFRLRLYFTHFNLELSYRCEYDFVKLTSGTKVLATLCGQESTDTERA PGNDTFYSLGPSLKVTFHSDYSNEKPFTGFEAFYAAEDVDECRTSLGDSVPCDHYCHNYLGGYYCSCRVGYILHQNKHTC SALCSGQVFTGRSGFLSSPEYPQPYPKLSSCAYNIRLEEGFSITLDFVESFDVEMHPEAQCPYDSLKIQTDKREYGPFCG KTLPPRIETDSNKVTITFTTDESGNHTGWKIHYTSTAQ ; _entity_poly.pdbx_seq_one_letter_code_can ;KWPEPVFGRLVSPGFPEKYGNHQDRSWTLTAPPGFRLRLYFTHFNLELSYRCEYDFVKLTSGTKVLATLCGQESTDTERA PGNDTFYSLGPSLKVTFHSDYSNEKPFTGFEAFYAAEDVDECRTSLGDSVPCDHYCHNYLGGYYCSCRVGYILHQNKHTC SALCSGQVFTGRSGFLSSPEYPQPYPKLSSCAYNIRLEEGFSITLDFVESFDVEMHPEAQCPYDSLKIQTDKREYGPFCG KTLPPRIETDSNKVTITFTTDESGNHTGWKIHYTSTAQ ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 LYS n 1 2 TRP n 1 3 PRO n 1 4 GLU n 1 5 PRO n 1 6 VAL n 1 7 PHE n 1 8 GLY n 1 9 ARG n 1 10 LEU n 1 11 VAL n 1 12 SER n 1 13 PRO n 1 14 GLY n 1 15 PHE n 1 16 PRO n 1 17 GLU n 1 18 LYS n 1 19 TYR n 1 20 GLY n 1 21 ASN n 1 22 HIS n 1 23 GLN n 1 24 ASP n 1 25 ARG n 1 26 SER n 1 27 TRP n 1 28 THR n 1 29 LEU n 1 30 THR n 1 31 ALA n 1 32 PRO n 1 33 PRO n 1 34 GLY n 1 35 PHE n 1 36 ARG n 1 37 LEU n 1 38 ARG n 1 39 LEU n 1 40 TYR n 1 41 PHE n 1 42 THR n 1 43 HIS n 1 44 PHE n 1 45 ASN n 1 46 LEU n 1 47 GLU n 1 48 LEU n 1 49 SER n 1 50 TYR n 1 51 ARG n 1 52 CYS n 1 53 GLU n 1 54 TYR n 1 55 ASP n 1 56 PHE n 1 57 VAL n 1 58 LYS n 1 59 LEU n 1 60 THR n 1 61 SER n 1 62 GLY n 1 63 THR n 1 64 LYS n 1 65 VAL n 1 66 LEU n 1 67 ALA n 1 68 THR n 1 69 LEU n 1 70 CYS n 1 71 GLY n 1 72 GLN n 1 73 GLU n 1 74 SER n 1 75 THR n 1 76 ASP n 1 77 THR n 1 78 GLU n 1 79 ARG n 1 80 ALA n 1 81 PRO n 1 82 GLY n 1 83 ASN n 1 84 ASP n 1 85 THR n 1 86 PHE n 1 87 TYR n 1 88 SER n 1 89 LEU n 1 90 GLY n 1 91 PRO n 1 92 SER n 1 93 LEU n 1 94 LYS n 1 95 VAL n 1 96 THR n 1 97 PHE n 1 98 HIS n 1 99 SER n 1 100 ASP n 1 101 TYR n 1 102 SER n 1 103 ASN n 1 104 GLU n 1 105 LYS n 1 106 PRO n 1 107 PHE n 1 108 THR n 1 109 GLY n 1 110 PHE n 1 111 GLU n 1 112 ALA n 1 113 PHE n 1 114 TYR n 1 115 ALA n 1 116 ALA n 1 117 GLU n 1 118 ASP n 1 119 VAL n 1 120 ASP n 1 121 GLU n 1 122 CYS n 1 123 ARG n 1 124 THR n 1 125 SER n 1 126 LEU n 1 127 GLY n 1 128 ASP n 1 129 SER n 1 130 VAL n 1 131 PRO n 1 132 CYS n 1 133 ASP n 1 134 HIS n 1 135 TYR n 1 136 CYS n 1 137 HIS n 1 138 ASN n 1 139 TYR n 1 140 LEU n 1 141 GLY n 1 142 GLY n 1 143 TYR n 1 144 TYR n 1 145 CYS n 1 146 SER n 1 147 CYS n 1 148 ARG n 1 149 VAL n 1 150 GLY n 1 151 TYR n 1 152 ILE n 1 153 LEU n 1 154 HIS n 1 155 GLN n 1 156 ASN n 1 157 LYS n 1 158 HIS n 1 159 THR n 1 160 CYS n 1 161 SER n 1 162 ALA n 1 163 LEU n 1 164 CYS n 1 165 SER n 1 166 GLY n 1 167 GLN n 1 168 VAL n 1 169 PHE n 1 170 THR n 1 171 GLY n 1 172 ARG n 1 173 SER n 1 174 GLY n 1 175 PHE n 1 176 LEU n 1 177 SER n 1 178 SER n 1 179 PRO n 1 180 GLU n 1 181 TYR n 1 182 PRO n 1 183 GLN n 1 184 PRO n 1 185 TYR n 1 186 PRO n 1 187 LYS n 1 188 LEU n 1 189 SER n 1 190 SER n 1 191 CYS n 1 192 ALA n 1 193 TYR n 1 194 ASN n 1 195 ILE n 1 196 ARG n 1 197 LEU n 1 198 GLU n 1 199 GLU n 1 200 GLY n 1 201 PHE n 1 202 SER n 1 203 ILE n 1 204 THR n 1 205 LEU n 1 206 ASP n 1 207 PHE n 1 208 VAL n 1 209 GLU n 1 210 SER n 1 211 PHE n 1 212 ASP n 1 213 VAL n 1 214 GLU n 1 215 MET n 1 216 HIS n 1 217 PRO n 1 218 GLU n 1 219 ALA n 1 220 GLN n 1 221 CYS n 1 222 PRO n 1 223 TYR n 1 224 ASP n 1 225 SER n 1 226 LEU n 1 227 LYS n 1 228 ILE n 1 229 GLN n 1 230 THR n 1 231 ASP n 1 232 LYS n 1 233 ARG n 1 234 GLU n 1 235 TYR n 1 236 GLY n 1 237 PRO n 1 238 PHE n 1 239 CYS n 1 240 GLY n 1 241 LYS n 1 242 THR n 1 243 LEU n 1 244 PRO n 1 245 PRO n 1 246 ARG n 1 247 ILE n 1 248 GLU n 1 249 THR n 1 250 ASP n 1 251 SER n 1 252 ASN n 1 253 LYS n 1 254 VAL n 1 255 THR n 1 256 ILE n 1 257 THR n 1 258 PHE n 1 259 THR n 1 260 THR n 1 261 ASP n 1 262 GLU n 1 263 SER n 1 264 GLY n 1 265 ASN n 1 266 HIS n 1 267 THR n 1 268 GLY n 1 269 TRP n 1 270 LYS n 1 271 ILE n 1 272 HIS n 1 273 TYR n 1 274 THR n 1 275 SER n 1 276 THR n 1 277 ALA n 1 278 GLN 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 278 _entity_src_gen.gene_src_common_name Rat _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene 'Masp2, rCG_31002' _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 'Rattus norvegicus' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 10116 _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 'Chinese hamster' _entity_src_gen.pdbx_host_org_scientific_name 'Cricetulus griseus' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 10029 _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 DXB11 _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell OVARY _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type plasmid _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name PED _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code A2VCV7_RAT _struct_ref.pdbx_db_accession A2VCV7 _struct_ref.pdbx_db_isoform ? _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;KWPEPVFGRLVSPGFPEKYGNHQDRSWTLTAPPGFRLRLYFTHFNLELSYRCEYDFVKLTSGTKVLATLCGQESTDTERA PGNDTFYSLGPSLKVTFHSDYSNEKPFTGFEAFYAAEDVDECRTSLGDSVPCDHYCHNYLGGYYCSCRVGYILHQNKHTC SALCSGQVFTGRSGFLSSPEYPQPYPKLSSCAYNIRLEEGFSITLDFVESFDVEMHPEAQCPYDSLKIQTDKREYGPFCG KTLPPRIETDSNKVTITFTTDESGNHTGWKIHYTSTAQ ; _struct_ref.pdbx_align_begin 21 # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 5CIS _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 1 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 278 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession A2VCV7 _struct_ref_seq.db_align_beg 21 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 298 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 2 _struct_ref_seq.pdbx_auth_seq_align_end 279 # 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 CA non-polymer . 'CALCIUM ION' ? 'Ca 2' 40.078 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 5CIS _exptl.crystals_number 1 _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 3.17 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 61.16 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH 8.5 _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 293 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details '100 mM Tris pH 8.5 containing 80 mM ammonium acetate' _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 PIXEL _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'DECTRIS PILATUS 2M' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2012-09-23 # _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 0.92 _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 'DIAMOND BEAMLINE I04-1' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 0.92 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline I04-1 _diffrn_source.pdbx_synchrotron_site Diamond # _reflns.B_iso_Wilson_estimate ? _reflns.entry_id 5CIS _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 2.58 _reflns.d_resolution_low 50.3 _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 12626 _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 97.6 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 3.9 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value 0.099 _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 11.58 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all ? _reflns.pdbx_Rpim_I_all ? _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half ? _reflns.pdbx_R_split ? # _reflns_shell.d_res_high 2.58 _reflns_shell.d_res_low 2.60 _reflns_shell.meanI_over_sigI_all ? _reflns_shell.meanI_over_sigI_obs 2.03 _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_possible ? _reflns_shell.number_unique_all ? _reflns_shell.number_unique_obs ? _reflns_shell.percent_possible_all 93.5 _reflns_shell.percent_possible_obs ? _reflns_shell.Rmerge_F_all ? _reflns_shell.Rmerge_F_obs ? _reflns_shell.Rmerge_I_all ? _reflns_shell.Rmerge_I_obs 0.645 _reflns_shell.meanI_over_sigI_gt ? _reflns_shell.meanI_over_uI_all ? _reflns_shell.meanI_over_uI_gt ? _reflns_shell.number_measured_gt ? _reflns_shell.number_unique_gt ? _reflns_shell.percent_possible_gt ? _reflns_shell.Rmerge_F_gt ? _reflns_shell.Rmerge_I_gt ? _reflns_shell.pdbx_redundancy 3.6 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_netI_over_sigmaI_all ? _reflns_shell.pdbx_netI_over_sigmaI_obs ? _reflns_shell.pdbx_Rrim_I_all ? _reflns_shell.pdbx_Rpim_I_all ? _reflns_shell.pdbx_rejects ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_CC_half ? _reflns_shell.pdbx_R_split ? # _refine.entry_id 5CIS _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_d_res_high 2.5800 _refine.ls_d_res_low 50.3430 _refine.pdbx_ls_sigma_F 1.340 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.ls_percent_reflns_obs 97.5300 _refine.ls_number_reflns_obs 12620 _refine.ls_number_reflns_all ? _refine.pdbx_ls_cross_valid_method 'FREE R-VALUE' _refine.ls_matrix_type ? _refine.pdbx_R_Free_selection_details 'Random selection' _refine.details ? _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.2022 _refine.ls_R_factor_R_work 0.2003 _refine.ls_wR_factor_R_work ? _refine.ls_R_factor_R_free 0.2407 _refine.ls_wR_factor_R_free ? _refine.ls_percent_reflns_R_free 4.6400 _refine.ls_number_reflns_R_free 585 _refine.ls_number_reflns_R_work 12035 _refine.ls_R_factor_R_free_error ? _refine.B_iso_mean 54.0467 _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.pdbx_isotropic_thermal_model ? _refine.aniso_B[1][1] ? _refine.aniso_B[2][2] ? _refine.aniso_B[3][3] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][3] ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.overall_SU_R_free ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML 0.3700 _refine.overall_SU_B ? _refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' _refine.pdbx_solvent_vdw_probe_radii 1.1100 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.9000 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.pdbx_starting_model 1NTO _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_stereochemistry_target_values ML _refine.pdbx_stereochem_target_val_spec_case ? _refine.overall_FOM_work_R_set ? _refine.B_iso_max 209.100 _refine.B_iso_min 24.130 _refine.pdbx_overall_phase_error 25.4500 _refine.occupancy_max ? _refine.occupancy_min ? _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_R_factor_R_free_error_details ? # _refine_hist.cycle_id final _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.d_res_high 2.5800 _refine_hist.d_res_low 50.3430 _refine_hist.pdbx_number_atoms_ligand 17 _refine_hist.number_atoms_solvent 89 _refine_hist.number_atoms_total 2314 _refine_hist.pdbx_number_residues_total 276 _refine_hist.pdbx_B_iso_mean_ligand 80.96 _refine_hist.pdbx_B_iso_mean_solvent 46.94 _refine_hist.pdbx_number_atoms_protein 2208 _refine_hist.pdbx_number_atoms_nucleic_acid 0 # loop_ _refine_ls_restr.pdbx_refine_id _refine_ls_restr.type _refine_ls_restr.number _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function 'X-RAY DIFFRACTION' f_bond_d 2298 0.003 ? ? ? 'X-RAY DIFFRACTION' f_angle_d 3117 0.712 ? ? ? 'X-RAY DIFFRACTION' f_chiral_restr 325 0.028 ? ? ? 'X-RAY DIFFRACTION' f_plane_restr 407 0.003 ? ? ? 'X-RAY DIFFRACTION' f_dihedral_angle_d 823 11.066 ? ? ? # loop_ _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.percent_reflns_obs _refine_ls_shell.number_reflns_R_work _refine_ls_shell.R_factor_all _refine_ls_shell.R_factor_R_work _refine_ls_shell.R_factor_R_free _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.number_reflns_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.number_reflns_all _refine_ls_shell.number_reflns_obs _refine_ls_shell.pdbx_refine_id _refine_ls_shell.R_factor_obs 2.5800 2.8396 4 96.0000 2923 . 0.2871 0.3308 . 127 . 3050 . 'X-RAY DIFFRACTION' . 2.8396 3.2505 4 99.0000 3007 . 0.2500 0.3121 . 153 . 3160 . 'X-RAY DIFFRACTION' . 3.2505 4.0950 4 97.0000 2989 . 0.1924 0.2313 . 150 . 3139 . 'X-RAY DIFFRACTION' . 4.0950 50.3529 4 98.0000 3116 . 0.1659 0.2010 . 155 . 3271 . 'X-RAY DIFFRACTION' . # _struct.entry_id 5CIS _struct.title 'The CUB1-EGF-CUB2 domains of rat MBL-associated serine protease-2 (MASP-2) bound to Ca2+' _struct.pdbx_descriptor 'Mannan-binding lectin serine protease 2 (E.C.3.4.21.104)' _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 5CIS _struct_keywords.text 'MASP, CUB1-EGF-CUB2, Complement activation, lectin pathway, hydrolase' _struct_keywords.pdbx_keywords HYDROLASE # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 2 ? E N N 3 ? F N N 4 ? # _struct_conf.conf_type_id HELX_P _struct_conf.id HELX_P1 _struct_conf.pdbx_PDB_helix_id AA1 _struct_conf.beg_label_comp_id SER _struct_conf.beg_label_asym_id A _struct_conf.beg_label_seq_id 49 _struct_conf.pdbx_beg_PDB_ins_code ? _struct_conf.end_label_comp_id GLU _struct_conf.end_label_asym_id A _struct_conf.end_label_seq_id 53 _struct_conf.pdbx_end_PDB_ins_code ? _struct_conf.beg_auth_comp_id SER _struct_conf.beg_auth_asym_id A _struct_conf.beg_auth_seq_id 50 _struct_conf.end_auth_comp_id GLU _struct_conf.end_auth_asym_id A _struct_conf.end_auth_seq_id 54 _struct_conf.pdbx_PDB_helix_class 5 _struct_conf.details ? _struct_conf.pdbx_PDB_helix_length 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 52 SG ? ? ? 1_555 A CYS 70 SG ? ? A CYS 53 A CYS 71 1_555 ? ? ? ? ? ? ? 2.028 ? disulf2 disulf ? ? A CYS 122 SG ? ? ? 1_555 A CYS 136 SG ? ? A CYS 123 A CYS 137 1_555 ? ? ? ? ? ? ? 2.032 ? disulf3 disulf ? ? A CYS 132 SG ? ? ? 1_555 A CYS 145 SG ? ? A CYS 133 A CYS 146 1_555 ? ? ? ? ? ? ? 2.031 ? disulf4 disulf ? ? A CYS 147 SG ? ? ? 1_555 A CYS 160 SG ? ? A CYS 148 A CYS 161 1_555 ? ? ? ? ? ? ? 2.024 ? disulf5 disulf ? ? A CYS 164 SG ? ? ? 1_555 A CYS 191 SG ? ? A CYS 165 A CYS 192 1_555 ? ? ? ? ? ? ? 2.031 ? disulf6 disulf ? ? A CYS 221 SG ? ? ? 1_555 A CYS 239 SG ? ? A CYS 222 A CYS 240 1_555 ? ? ? ? ? ? ? 2.032 ? metalc1 metalc ? ? A GLU 47 OE1 ? ? ? 1_555 B CA . CA ? ? A GLU 48 A CA 301 1_555 ? ? ? ? ? ? ? 2.452 ? covale1 covale none ? A CYS 52 CB ? ? ? 1_555 A CYS 70 SG ? ? A CYS 53 A CYS 71 1_555 ? ? ? ? ? ? ? 1.805 ? metalc2 metalc ? ? A ASP 55 OD1 ? ? ? 1_555 B CA . CA ? ? A ASP 56 A CA 301 1_555 ? ? ? ? ? ? ? 2.705 ? metalc3 metalc ? ? A ASP 55 OD2 ? ? ? 1_555 B CA . CA ? ? A ASP 56 A CA 301 1_555 ? ? ? ? ? ? ? 2.374 ? covale2 covale one ? A ASN 83 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 84 A NAG 304 1_555 ? ? ? ? ? ? ? 1.437 ? metalc4 metalc ? ? A ASP 100 OD1 ? ? ? 1_555 B CA . CA ? ? A ASP 101 A CA 301 1_555 ? ? ? ? ? ? ? 2.270 ? metalc5 metalc ? ? A SER 102 O ? ? ? 1_555 B CA . CA ? ? A SER 103 A CA 301 1_555 ? ? ? ? ? ? ? 2.422 ? metalc6 metalc ? ? A ASN 103 OD1 ? ? ? 1_555 B CA . CA ? ? A ASN 104 A CA 301 1_555 ? ? ? ? ? ? ? 2.559 ? metalc7 metalc ? ? A ASP 118 OD1 ? ? ? 1_555 C CA . CA ? ? A ASP 119 A CA 302 1_555 ? ? ? ? ? ? ? 2.594 ? metalc8 metalc ? ? A VAL 119 O ? ? ? 1_555 C CA . CA ? ? A VAL 120 A CA 302 1_555 ? ? ? ? ? ? ? 2.423 ? metalc9 metalc ? ? A GLU 121 OE1 ? ? ? 1_555 C CA . CA ? ? A GLU 122 A CA 302 1_555 ? ? ? ? ? ? ? 2.718 ? metalc10 metalc ? ? A ASN 138 OD1 ? ? ? 1_555 C CA . CA ? ? A ASN 139 A CA 302 1_555 ? ? ? ? ? ? ? 2.369 ? metalc11 metalc ? ? A TYR 139 O ? ? ? 1_555 C CA . CA ? ? A TYR 140 A CA 302 1_555 ? ? ? ? ? ? ? 2.497 ? metalc12 metalc ? ? A GLY 142 O ? ? ? 1_555 C CA . CA ? ? A GLY 143 A CA 302 1_555 ? ? ? ? ? ? ? 2.556 ? metalc13 metalc ? ? A GLU 214 OE2 ? ? ? 1_555 D CA . CA ? ? A GLU 215 A CA 303 1_555 ? ? ? ? ? ? ? 2.382 ? metalc14 metalc ? ? A ASP 224 OD1 ? ? ? 1_555 D CA . CA ? ? A ASP 225 A CA 303 1_555 ? ? ? ? ? ? ? 2.765 ? metalc15 metalc ? ? A ASP 224 OD2 ? ? ? 1_555 D CA . CA ? ? A ASP 225 A CA 303 1_555 ? ? ? ? ? ? ? 2.567 ? metalc16 metalc ? ? A ASP 261 OD1 ? ? ? 1_555 D CA . CA ? ? A ASP 262 A CA 303 1_555 ? ? ? ? ? ? ? 2.293 ? metalc17 metalc ? ? A SER 263 O ? ? ? 1_555 D CA . CA ? ? A SER 264 A CA 303 1_555 ? ? ? ? ? ? ? 2.580 ? metalc18 metalc ? ? B CA . CA ? ? ? 1_555 F HOH . O ? ? A CA 301 A HOH 408 1_555 ? ? ? ? ? ? ? 2.564 ? metalc19 metalc ? ? C CA . CA ? ? ? 1_555 F HOH . O ? ? A CA 302 A HOH 415 1_555 ? ? ? ? ? ? ? 2.450 ? metalc20 metalc ? ? D CA . CA ? ? ? 1_555 F HOH . O ? ? A CA 303 A HOH 423 1_555 ? ? ? ? ? ? ? 2.505 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? metalc ? ? 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 PHE 15 A . ? PHE 16 A PRO 16 A ? PRO 17 A 1 6.20 2 TYR 181 A . ? TYR 182 A PRO 182 A ? PRO 183 A 1 3.70 3 GLY 236 A . ? GLY 237 A PRO 237 A ? PRO 238 A 1 1.87 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 4 ? AA2 ? 4 ? AA3 ? 2 ? AA4 ? 2 ? AA5 ? 5 ? AA6 ? 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 AA1 2 3 ? anti-parallel AA1 3 4 ? anti-parallel AA2 1 2 ? anti-parallel AA2 2 3 ? anti-parallel AA2 3 4 ? anti-parallel AA3 1 2 ? anti-parallel AA4 1 2 ? anti-parallel AA5 1 2 ? parallel AA5 2 3 ? anti-parallel AA5 3 4 ? anti-parallel AA5 4 5 ? anti-parallel AA6 1 2 ? anti-parallel AA6 2 3 ? anti-parallel AA6 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 PHE A 7 ? VAL A 11 ? PHE A 8 VAL A 12 AA1 2 GLY A 109 ? ASP A 118 ? GLY A 110 ASP A 119 AA1 3 PHE A 35 ? ASN A 45 ? PHE A 36 ASN A 46 AA1 4 PHE A 86 ? TYR A 87 ? PHE A 87 TYR A 88 AA2 1 ASP A 24 ? THR A 30 ? ASP A 25 THR A 31 AA2 2 SER A 92 ? HIS A 98 ? SER A 93 HIS A 99 AA2 3 PHE A 56 ? SER A 61 ? PHE A 57 SER A 62 AA2 4 LYS A 64 ? LEU A 69 ? LYS A 65 LEU A 70 AA3 1 TYR A 135 ? TYR A 139 ? TYR A 136 TYR A 140 AA3 2 GLY A 142 ? SER A 146 ? GLY A 143 SER A 147 AA4 1 TYR A 151 ? LEU A 153 ? TYR A 152 LEU A 154 AA4 2 CYS A 160 ? ALA A 162 ? CYS A 161 ALA A 163 AA5 1 SER A 165 ? PHE A 169 ? SER A 166 PHE A 170 AA5 2 SER A 190 ? ARG A 196 ? SER A 191 ARG A 197 AA5 3 LYS A 253 ? THR A 259 ? LYS A 254 THR A 260 AA5 4 SER A 225 ? GLN A 229 ? SER A 226 GLN A 230 AA5 5 GLU A 234 ? TYR A 235 ? GLU A 235 TYR A 236 AA6 1 GLY A 174 ? SER A 177 ? GLY A 175 SER A 178 AA6 2 LYS A 270 ? ALA A 277 ? LYS A 271 ALA A 278 AA6 3 PHE A 201 ? PHE A 207 ? PHE A 202 PHE A 208 AA6 4 ILE A 247 ? GLU A 248 ? ILE A 248 GLU A 249 # 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 GLY A 8 ? N GLY A 9 O TYR A 114 ? O TYR A 115 AA1 2 3 O GLU A 117 ? O GLU A 118 N ARG A 36 ? N ARG A 37 AA1 3 4 N LEU A 39 ? N LEU A 40 O PHE A 86 ? O PHE A 87 AA2 1 2 N LEU A 29 ? N LEU A 30 O LEU A 93 ? O LEU A 94 AA2 2 3 O LYS A 94 ? O LYS A 95 N THR A 60 ? N THR A 61 AA2 3 4 N VAL A 57 ? N VAL A 58 O LEU A 69 ? O LEU A 70 AA3 1 2 N TYR A 135 ? N TYR A 136 O SER A 146 ? O SER A 147 AA4 1 2 N ILE A 152 ? N ILE A 153 O SER A 161 ? O SER A 162 AA5 1 2 N PHE A 169 ? N PHE A 170 O ASN A 194 ? O ASN A 195 AA5 2 3 N ILE A 195 ? N ILE A 196 O VAL A 254 ? O VAL A 255 AA5 3 4 O THR A 255 ? O THR A 256 N GLN A 229 ? N GLN A 230 AA5 4 5 N ILE A 228 ? N ILE A 229 O TYR A 235 ? O TYR A 236 AA6 1 2 N LEU A 176 ? N LEU A 177 O ILE A 271 ? O ILE A 272 AA6 2 3 O HIS A 272 ? O HIS A 273 N ASP A 206 ? N ASP A 207 AA6 3 4 N LEU A 205 ? N LEU A 206 O ILE A 247 ? O ILE A 248 # 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 CA 301 ? 6 'binding site for residue CA A 301' AC2 Software A CA 302 ? 7 'binding site for residue CA A 302' AC3 Software A CA 303 ? 5 'binding site for residue CA A 303' AC4 Software A NAG 304 ? 6 'binding site for Mono-Saccharide NAG A 304 bound to ASN A 84' # 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 GLU A 47 ? GLU A 48 . ? 1_555 ? 2 AC1 6 ASP A 55 ? ASP A 56 . ? 1_555 ? 3 AC1 6 ASP A 100 ? ASP A 101 . ? 1_555 ? 4 AC1 6 SER A 102 ? SER A 103 . ? 1_555 ? 5 AC1 6 ASN A 103 ? ASN A 104 . ? 1_555 ? 6 AC1 6 HOH F . ? HOH A 408 . ? 1_555 ? 7 AC2 7 ASP A 118 ? ASP A 119 . ? 1_555 ? 8 AC2 7 VAL A 119 ? VAL A 120 . ? 1_555 ? 9 AC2 7 GLU A 121 ? GLU A 122 . ? 1_555 ? 10 AC2 7 ASN A 138 ? ASN A 139 . ? 1_555 ? 11 AC2 7 TYR A 139 ? TYR A 140 . ? 1_555 ? 12 AC2 7 GLY A 142 ? GLY A 143 . ? 1_555 ? 13 AC2 7 HOH F . ? HOH A 415 . ? 1_555 ? 14 AC3 5 GLU A 214 ? GLU A 215 . ? 1_555 ? 15 AC3 5 ASP A 224 ? ASP A 225 . ? 1_555 ? 16 AC3 5 ASP A 261 ? ASP A 262 . ? 1_555 ? 17 AC3 5 SER A 263 ? SER A 264 . ? 1_555 ? 18 AC3 5 HOH F . ? HOH A 423 . ? 1_555 ? 19 AC4 6 PHE A 41 ? PHE A 42 . ? 1_555 ? 20 AC4 6 THR A 42 ? THR A 43 . ? 1_555 ? 21 AC4 6 GLY A 82 ? GLY A 83 . ? 1_555 ? 22 AC4 6 ASN A 83 ? ASN A 84 . ? 1_555 ? 23 AC4 6 HOH F . ? HOH A 401 . ? 1_555 ? 24 AC4 6 HOH F . ? HOH A 402 . ? 1_555 ? # _atom_sites.entry_id 5CIS _atom_sites.fract_transf_matrix[1][1] 0.014941 _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] 0.010173 _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] 0.008237 _atom_sites.fract_transf_vector[1] 0.000000 _atom_sites.fract_transf_vector[2] 0.000000 _atom_sites.fract_transf_vector[3] 0.000000 # loop_ _atom_type.symbol C CA 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 . LYS A 1 1 ? -52.131 5.958 -1.904 1.00 85.09 ? 2 LYS A N 1 ATOM 2 C CA . LYS A 1 1 ? -52.003 4.538 -1.603 1.00 82.96 ? 2 LYS A CA 1 ATOM 3 C C . LYS A 1 1 ? -50.562 4.198 -1.219 1.00 86.91 ? 2 LYS A C 1 ATOM 4 O O . LYS A 1 1 ? -50.084 4.607 -0.161 1.00 84.06 ? 2 LYS A O 1 ATOM 5 C CB . LYS A 1 1 ? -52.460 3.698 -2.799 1.00 74.37 ? 2 LYS A CB 1 ATOM 6 C CG . LYS A 1 1 ? -52.799 2.252 -2.465 1.00 75.91 ? 2 LYS A CG 1 ATOM 7 C CD . LYS A 1 1 ? -53.452 1.553 -3.648 1.00 79.05 ? 2 LYS A CD 1 ATOM 8 C CE . LYS A 1 1 ? -52.611 1.690 -4.908 1.00 80.48 ? 2 LYS A CE 1 ATOM 9 N NZ . LYS A 1 1 ? -51.244 1.122 -4.738 1.00 77.80 ? 2 LYS A NZ 1 ATOM 10 N N . TRP A 1 2 ? -49.871 3.459 -2.082 1.00 91.88 ? 3 TRP A N 1 ATOM 11 C CA . TRP A 1 2 ? -48.492 3.061 -1.816 1.00 88.13 ? 3 TRP A CA 1 ATOM 12 C C . TRP A 1 2 ? -47.550 4.249 -1.981 1.00 81.38 ? 3 TRP A C 1 ATOM 13 O O . TRP A 1 2 ? -47.673 5.014 -2.937 1.00 80.38 ? 3 TRP A O 1 ATOM 14 C CB . TRP A 1 2 ? -48.077 1.912 -2.739 1.00 93.76 ? 3 TRP A CB 1 ATOM 15 C CG . TRP A 1 2 ? -48.863 0.652 -2.518 1.00 107.62 ? 3 TRP A CG 1 ATOM 16 C CD1 . TRP A 1 2 ? -49.806 0.432 -1.556 1.00 112.52 ? 3 TRP A CD1 1 ATOM 17 C CD2 . TRP A 1 2 ? -48.775 -0.561 -3.277 1.00 113.06 ? 3 TRP A CD2 1 ATOM 18 N NE1 . TRP A 1 2 ? -50.310 -0.841 -1.667 1.00 115.11 ? 3 TRP A NE1 1 ATOM 19 C CE2 . TRP A 1 2 ? -49.694 -1.471 -2.716 1.00 117.79 ? 3 TRP A CE2 1 ATOM 20 C CE3 . TRP A 1 2 ? -48.009 -0.965 -4.374 1.00 110.15 ? 3 TRP A CE3 1 ATOM 21 C CZ2 . TRP A 1 2 ? -49.867 -2.761 -3.216 1.00 122.08 ? 3 TRP A CZ2 1 ATOM 22 C CZ3 . TRP A 1 2 ? -48.183 -2.246 -4.870 1.00 115.81 ? 3 TRP A CZ3 1 ATOM 23 C CH2 . TRP A 1 2 ? -49.104 -3.128 -4.291 1.00 122.29 ? 3 TRP A CH2 1 ATOM 24 N N . PRO A 1 3 ? -46.600 4.405 -1.045 1.00 79.11 ? 4 PRO A N 1 ATOM 25 C CA . PRO A 1 3 ? -45.708 5.568 -1.029 1.00 74.61 ? 4 PRO A CA 1 ATOM 26 C C . PRO A 1 3 ? -44.487 5.410 -1.934 1.00 68.97 ? 4 PRO A C 1 ATOM 27 O O . PRO A 1 3 ? -43.806 4.385 -1.897 1.00 70.06 ? 4 PRO A O 1 ATOM 28 C CB . PRO A 1 3 ? -45.288 5.663 0.442 1.00 65.08 ? 4 PRO A CB 1 ATOM 29 C CG . PRO A 1 3 ? -45.521 4.281 1.023 1.00 73.46 ? 4 PRO A CG 1 ATOM 30 C CD . PRO A 1 3 ? -46.255 3.439 0.010 1.00 77.10 ? 4 PRO A CD 1 ATOM 31 N N . GLU A 1 4 ? -44.223 6.435 -2.737 1.00 56.84 ? 5 GLU A N 1 ATOM 32 C CA . GLU A 1 4 ? -43.103 6.426 -3.670 1.00 59.33 ? 5 GLU A CA 1 ATOM 33 C C . GLU A 1 4 ? -41.768 6.537 -2.940 1.00 56.60 ? 5 GLU A C 1 ATOM 34 O O . GLU A 1 4 ? -41.700 7.113 -1.855 1.00 55.01 ? 5 GLU A O 1 ATOM 35 C CB . GLU A 1 4 ? -43.249 7.569 -4.679 1.00 74.69 ? 5 GLU A CB 1 ATOM 36 C CG . GLU A 1 4 ? -44.498 7.481 -5.545 1.00 84.00 ? 5 GLU A CG 1 ATOM 37 C CD . GLU A 1 4 ? -44.463 6.306 -6.504 1.00 87.46 ? 5 GLU A CD 1 ATOM 38 O OE1 . GLU A 1 4 ? -43.358 5.926 -6.945 1.00 81.75 ? 5 GLU A OE1 1 ATOM 39 O OE2 . GLU A 1 4 ? -45.543 5.760 -6.816 1.00 95.85 ? 5 GLU A OE2 1 ATOM 40 N N . PRO A 1 5 ? -40.700 5.978 -3.534 1.00 56.18 ? 6 PRO A N 1 ATOM 41 C CA . PRO A 1 5 ? -39.355 6.125 -2.967 1.00 50.75 ? 6 PRO A CA 1 ATOM 42 C C . PRO A 1 5 ? -38.947 7.591 -2.889 1.00 45.71 ? 6 PRO A C 1 ATOM 43 O O . PRO A 1 5 ? -39.261 8.363 -3.796 1.00 49.24 ? 6 PRO A O 1 ATOM 44 C CB . PRO A 1 5 ? -38.468 5.352 -3.950 1.00 52.78 ? 6 PRO A CB 1 ATOM 45 C CG . PRO A 1 5 ? -39.265 5.283 -5.216 1.00 53.28 ? 6 PRO A CG 1 ATOM 46 C CD . PRO A 1 5 ? -40.689 5.186 -4.775 1.00 52.90 ? 6 PRO A CD 1 ATOM 47 N N . VAL A 1 6 ? -38.263 7.969 -1.815 1.00 38.62 ? 7 VAL A N 1 ATOM 48 C CA . VAL A 1 6 ? -37.927 9.368 -1.583 1.00 35.36 ? 7 VAL A CA 1 ATOM 49 C C . VAL A 1 6 ? -36.601 9.760 -2.231 1.00 37.28 ? 7 VAL A C 1 ATOM 50 O O . VAL A 1 6 ? -35.540 9.262 -1.856 1.00 42.48 ? 7 VAL A O 1 ATOM 51 C CB . VAL A 1 6 ? -37.864 9.683 -0.075 1.00 38.43 ? 7 VAL A CB 1 ATOM 52 C CG1 . VAL A 1 6 ? -37.483 11.139 0.150 1.00 27.57 ? 7 VAL A CG1 1 ATOM 53 C CG2 . VAL A 1 6 ? -39.198 9.369 0.587 1.00 31.06 ? 7 VAL A CG2 1 ATOM 54 N N . PHE A 1 7 ? -36.682 10.657 -3.209 1.00 36.38 ? 8 PHE A N 1 ATOM 55 C CA . PHE A 1 7 ? -35.506 11.221 -3.864 1.00 34.17 ? 8 PHE A CA 1 ATOM 56 C C . PHE A 1 7 ? -35.907 12.497 -4.591 1.00 38.57 ? 8 PHE A C 1 ATOM 57 O O . PHE A 1 7 ? -37.076 12.680 -4.930 1.00 40.96 ? 8 PHE A O 1 ATOM 58 C CB . PHE A 1 7 ? -34.880 10.223 -4.842 1.00 26.85 ? 8 PHE A CB 1 ATOM 59 C CG . PHE A 1 7 ? -35.755 9.893 -6.018 1.00 36.82 ? 8 PHE A CG 1 ATOM 60 C CD1 . PHE A 1 7 ? -35.664 10.619 -7.196 1.00 37.01 ? 8 PHE A CD1 1 ATOM 61 C CD2 . PHE A 1 7 ? -36.667 8.854 -5.948 1.00 38.55 ? 8 PHE A CD2 1 ATOM 62 C CE1 . PHE A 1 7 ? -36.469 10.317 -8.277 1.00 32.09 ? 8 PHE A CE1 1 ATOM 63 C CE2 . PHE A 1 7 ? -37.473 8.546 -7.029 1.00 32.91 ? 8 PHE A CE2 1 ATOM 64 C CZ . PHE A 1 7 ? -37.373 9.279 -8.193 1.00 33.70 ? 8 PHE A CZ 1 ATOM 65 N N . GLY A 1 8 ? -34.944 13.376 -4.840 1.00 39.61 ? 9 GLY A N 1 ATOM 66 C CA . GLY A 1 8 ? -35.249 14.625 -5.508 1.00 29.91 ? 9 GLY A CA 1 ATOM 67 C C . GLY A 1 8 ? -34.066 15.549 -5.702 1.00 32.05 ? 9 GLY A C 1 ATOM 68 O O . GLY A 1 8 ? -32.927 15.205 -5.387 1.00 32.96 ? 9 GLY A O 1 ATOM 69 N N . ARG A 1 9 ? -34.357 16.741 -6.212 1.00 43.21 ? 10 ARG A N 1 ATOM 70 C CA . ARG A 1 9 ? -33.339 17.713 -6.591 1.00 38.26 ? 10 ARG A CA 1 ATOM 71 C C . ARG A 1 9 ? -33.629 19.076 -5.966 1.00 36.82 ? 10 ARG A C 1 ATOM 72 O O . ARG A 1 9 ? -34.755 19.570 -6.027 1.00 38.53 ? 10 ARG A O 1 ATOM 73 C CB . ARG A 1 9 ? -33.270 17.816 -8.120 1.00 36.06 ? 10 ARG A CB 1 ATOM 74 C CG . ARG A 1 9 ? -32.541 19.032 -8.677 1.00 35.66 ? 10 ARG A CG 1 ATOM 75 C CD . ARG A 1 9 ? -32.628 19.035 -10.201 1.00 33.44 ? 10 ARG A CD 1 ATOM 76 N NE . ARG A 1 9 ? -32.070 20.238 -10.815 1.00 35.16 ? 10 ARG A NE 1 ATOM 77 C CZ . ARG A 1 9 ? -32.772 21.335 -11.085 1.00 38.81 ? 10 ARG A CZ 1 ATOM 78 N NH1 . ARG A 1 9 ? -34.062 21.390 -10.782 1.00 33.40 ? 10 ARG A NH1 1 ATOM 79 N NH2 . ARG A 1 9 ? -32.184 22.380 -11.652 1.00 33.97 ? 10 ARG A NH2 1 ATOM 80 N N . LEU A 1 10 ? -32.608 19.672 -5.356 1.00 33.56 ? 11 LEU A N 1 ATOM 81 C CA . LEU A 1 10 ? -32.738 20.985 -4.731 1.00 34.91 ? 11 LEU A CA 1 ATOM 82 C C . LEU A 1 10 ? -31.742 21.970 -5.335 1.00 36.72 ? 11 LEU A C 1 ATOM 83 O O . LEU A 1 10 ? -30.553 21.669 -5.440 1.00 34.37 ? 11 LEU A O 1 ATOM 84 C CB . LEU A 1 10 ? -32.523 20.885 -3.220 1.00 40.41 ? 11 LEU A CB 1 ATOM 85 C CG . LEU A 1 10 ? -33.303 19.800 -2.474 1.00 38.11 ? 11 LEU A CG 1 ATOM 86 C CD1 . LEU A 1 10 ? -32.958 19.823 -0.993 1.00 29.68 ? 11 LEU A CD1 1 ATOM 87 C CD2 . LEU A 1 10 ? -34.800 19.965 -2.684 1.00 31.98 ? 11 LEU A CD2 1 ATOM 88 N N . VAL A 1 11 ? -32.227 23.142 -5.733 1.00 26.34 ? 12 VAL A N 1 ATOM 89 C CA . VAL A 1 11 ? -31.367 24.165 -6.322 1.00 29.66 ? 12 VAL A CA 1 ATOM 90 C C . VAL A 1 11 ? -31.637 25.547 -5.741 1.00 37.78 ? 12 VAL A C 1 ATOM 91 O O . VAL A 1 11 ? -32.693 25.794 -5.157 1.00 39.08 ? 12 VAL A O 1 ATOM 92 C CB . VAL A 1 11 ? -31.539 24.248 -7.856 1.00 43.70 ? 12 VAL A CB 1 ATOM 93 C CG1 . VAL A 1 11 ? -31.070 22.967 -8.521 1.00 57.60 ? 12 VAL A CG1 1 ATOM 94 C CG2 . VAL A 1 11 ? -32.987 24.553 -8.217 1.00 38.22 ? 12 VAL A CG2 1 ATOM 95 N N . SER A 1 12 ? -30.672 26.446 -5.908 1.00 38.66 ? 13 SER A N 1 ATOM 96 C CA . SER A 1 12 ? -30.856 27.842 -5.539 1.00 32.71 ? 13 SER A CA 1 ATOM 97 C C . SER A 1 12 ? -31.867 28.471 -6.489 1.00 39.54 ? 13 SER A C 1 ATOM 98 O O . SER A 1 12 ? -31.964 28.064 -7.645 1.00 46.11 ? 13 SER A O 1 ATOM 99 C CB . SER A 1 12 ? -29.526 28.597 -5.582 1.00 31.88 ? 13 SER A CB 1 ATOM 100 O OG . SER A 1 12 ? -28.975 28.584 -6.887 1.00 38.43 ? 13 SER A OG 1 ATOM 101 N N . PRO A 1 13 ? -32.634 29.456 -5.998 1.00 47.08 ? 14 PRO A N 1 ATOM 102 C CA . PRO A 1 13 ? -33.664 30.109 -6.814 1.00 39.89 ? 14 PRO A CA 1 ATOM 103 C C . PRO A 1 13 ? -33.118 30.649 -8.131 1.00 43.17 ? 14 PRO A C 1 ATOM 104 O O . PRO A 1 13 ? -32.204 31.474 -8.130 1.00 43.57 ? 14 PRO A O 1 ATOM 105 C CB . PRO A 1 13 ? -34.146 31.251 -5.916 1.00 39.74 ? 14 PRO A CB 1 ATOM 106 C CG . PRO A 1 13 ? -33.874 30.775 -4.533 1.00 35.40 ? 14 PRO A CG 1 ATOM 107 C CD . PRO A 1 13 ? -32.604 29.984 -4.622 1.00 42.01 ? 14 PRO A CD 1 ATOM 108 N N . GLY A 1 14 ? -33.671 30.169 -9.241 1.00 42.39 ? 15 GLY A N 1 ATOM 109 C CA . GLY A 1 14 ? -33.306 30.667 -10.554 1.00 49.58 ? 15 GLY A CA 1 ATOM 110 C C . GLY A 1 14 ? -32.177 29.904 -11.219 1.00 52.85 ? 15 GLY A C 1 ATOM 111 O O . GLY A 1 14 ? -31.760 30.254 -12.322 1.00 55.45 ? 15 GLY A O 1 ATOM 112 N N . PHE A 1 15 ? -31.681 28.867 -10.546 1.00 50.10 ? 16 PHE A N 1 ATOM 113 C CA . PHE A 1 15 ? -30.607 28.031 -11.078 1.00 46.50 ? 16 PHE A CA 1 ATOM 114 C C . PHE A 1 15 ? -30.980 27.507 -12.465 1.00 48.24 ? 16 PHE A C 1 ATOM 115 O O . PHE A 1 15 ? -32.128 27.125 -12.692 1.00 48.78 ? 16 PHE A O 1 ATOM 116 C CB . PHE A 1 15 ? -30.316 26.870 -10.119 1.00 45.64 ? 16 PHE A CB 1 ATOM 117 C CG . PHE A 1 15 ? -29.058 26.117 -10.440 1.00 47.45 ? 16 PHE A CG 1 ATOM 118 C CD1 . PHE A 1 15 ? -27.839 26.537 -9.935 1.00 39.58 ? 16 PHE A CD1 1 ATOM 119 C CD2 . PHE A 1 15 ? -29.093 24.996 -11.254 1.00 50.47 ? 16 PHE A CD2 1 ATOM 120 C CE1 . PHE A 1 15 ? -26.678 25.851 -10.235 1.00 42.71 ? 16 PHE A CE1 1 ATOM 121 C CE2 . PHE A 1 15 ? -27.935 24.307 -11.559 1.00 42.24 ? 16 PHE A CE2 1 ATOM 122 C CZ . PHE A 1 15 ? -26.727 24.733 -11.048 1.00 39.95 ? 16 PHE A CZ 1 ATOM 123 N N . PRO A 1 16 ? -30.014 27.477 -13.401 1.00 52.94 ? 17 PRO A N 1 ATOM 124 C CA . PRO A 1 16 ? -28.580 27.768 -13.261 1.00 53.85 ? 17 PRO A CA 1 ATOM 125 C C . PRO A 1 16 ? -28.194 29.248 -13.253 1.00 62.54 ? 17 PRO A C 1 ATOM 126 O O . PRO A 1 16 ? -27.007 29.545 -13.123 1.00 67.88 ? 17 PRO A O 1 ATOM 127 C CB . PRO A 1 16 ? -27.978 27.080 -14.486 1.00 53.57 ? 17 PRO A CB 1 ATOM 128 C CG . PRO A 1 16 ? -29.044 27.182 -15.509 1.00 45.11 ? 17 PRO A CG 1 ATOM 129 C CD . PRO A 1 16 ? -30.344 27.025 -14.765 1.00 47.83 ? 17 PRO A CD 1 ATOM 130 N N . GLU A 1 17 ? -29.155 30.156 -13.389 1.00 65.88 ? 18 GLU A N 1 ATOM 131 C CA . GLU A 1 17 ? -28.838 31.581 -13.351 1.00 62.58 ? 18 GLU A CA 1 ATOM 132 C C . GLU A 1 17 ? -28.407 32.005 -11.949 1.00 59.73 ? 18 GLU A C 1 ATOM 133 O O . GLU A 1 17 ? -28.509 31.228 -10.999 1.00 50.67 ? 18 GLU A O 1 ATOM 134 C CB . GLU A 1 17 ? -30.031 32.419 -13.812 1.00 63.79 ? 18 GLU A CB 1 ATOM 135 C CG . GLU A 1 17 ? -30.332 32.302 -15.296 1.00 82.01 ? 18 GLU A CG 1 ATOM 136 C CD . GLU A 1 17 ? -31.528 33.134 -15.714 1.00 94.95 ? 18 GLU A CD 1 ATOM 137 O OE1 . GLU A 1 17 ? -32.289 33.570 -14.825 1.00 96.90 ? 18 GLU A OE1 1 ATOM 138 O OE2 . GLU A 1 17 ? -31.705 33.353 -16.931 1.00 96.85 ? 18 GLU A OE2 1 ATOM 139 N N . LYS A 1 18 ? -27.920 33.237 -11.830 1.00 61.22 ? 19 LYS A N 1 ATOM 140 C CA . LYS A 1 18 ? -27.458 33.765 -10.551 1.00 50.82 ? 19 LYS A CA 1 ATOM 141 C C . LYS A 1 18 ? -28.593 33.784 -9.533 1.00 55.26 ? 19 LYS A C 1 ATOM 142 O O . LYS A 1 18 ? -29.763 33.902 -9.902 1.00 61.02 ? 19 LYS A O 1 ATOM 143 C CB . LYS A 1 18 ? -26.889 35.177 -10.723 1.00 48.30 ? 19 LYS A CB 1 ATOM 144 C CG . LYS A 1 18 ? -27.959 36.259 -10.811 1.00 57.81 ? 19 LYS A CG 1 ATOM 145 C CD . LYS A 1 18 ? -27.371 37.662 -10.827 1.00 61.31 ? 19 LYS A CD 1 ATOM 146 C CE . LYS A 1 18 ? -26.899 38.053 -12.216 1.00 64.81 ? 19 LYS A CE 1 ATOM 147 N NZ . LYS A 1 18 ? -26.517 39.492 -12.279 1.00 65.77 ? 19 LYS A NZ 1 ATOM 148 N N . TYR A 1 19 ? -28.252 33.658 -8.255 1.00 53.87 ? 20 TYR A N 1 ATOM 149 C CA . TYR A 1 19 ? -29.259 33.768 -7.209 1.00 48.44 ? 20 TYR A CA 1 ATOM 150 C C . TYR A 1 19 ? -29.318 35.206 -6.702 1.00 47.42 ? 20 TYR A C 1 ATOM 151 O O . TYR A 1 19 ? -28.313 35.917 -6.700 1.00 45.49 ? 20 TYR A O 1 ATOM 152 C CB . TYR A 1 19 ? -28.981 32.786 -6.064 1.00 48.51 ? 20 TYR A CB 1 ATOM 153 C CG . TYR A 1 19 ? -27.738 33.061 -5.243 1.00 52.13 ? 20 TYR A CG 1 ATOM 154 C CD1 . TYR A 1 19 ? -27.788 33.882 -4.123 1.00 54.86 ? 20 TYR A CD1 1 ATOM 155 C CD2 . TYR A 1 19 ? -26.523 32.474 -5.568 1.00 51.66 ? 20 TYR A CD2 1 ATOM 156 C CE1 . TYR A 1 19 ? -26.659 34.125 -3.362 1.00 54.39 ? 20 TYR A CE1 1 ATOM 157 C CE2 . TYR A 1 19 ? -25.389 32.710 -4.812 1.00 53.07 ? 20 TYR A CE2 1 ATOM 158 C CZ . TYR A 1 19 ? -25.462 33.537 -3.710 1.00 49.77 ? 20 TYR A CZ 1 ATOM 159 O OH . TYR A 1 19 ? -24.338 33.778 -2.952 1.00 41.20 ? 20 TYR A OH 1 ATOM 160 N N . GLY A 1 20 ? -30.506 35.632 -6.288 1.00 46.04 ? 21 GLY A N 1 ATOM 161 C CA . GLY A 1 20 ? -30.723 37.012 -5.896 1.00 48.85 ? 21 GLY A CA 1 ATOM 162 C C . GLY A 1 20 ? -30.385 37.305 -4.449 1.00 49.84 ? 21 GLY A C 1 ATOM 163 O O . GLY A 1 20 ? -29.922 36.432 -3.716 1.00 52.29 ? 21 GLY A O 1 ATOM 164 N N . ASN A 1 21 ? -30.619 38.547 -4.041 1.00 52.81 ? 22 ASN A N 1 ATOM 165 C CA . ASN A 1 21 ? -30.366 38.968 -2.671 1.00 53.55 ? 22 ASN A CA 1 ATOM 166 C C . ASN A 1 21 ? -31.623 38.854 -1.814 1.00 54.95 ? 22 ASN A C 1 ATOM 167 O O . ASN A 1 21 ? -32.736 38.815 -2.342 1.00 60.12 ? 22 ASN A O 1 ATOM 168 C CB . ASN A 1 21 ? -29.839 40.405 -2.648 1.00 50.47 ? 22 ASN A CB 1 ATOM 169 C CG . ASN A 1 21 ? -28.613 40.591 -3.525 1.00 50.01 ? 22 ASN A CG 1 ATOM 170 O OD1 . ASN A 1 21 ? -27.729 39.736 -3.567 1.00 48.76 ? 22 ASN A OD1 1 ATOM 171 N ND2 . ASN A 1 21 ? -28.559 41.711 -4.237 1.00 53.19 ? 22 ASN A ND2 1 ATOM 172 N N . HIS A 1 22 ? -31.434 38.793 -0.497 1.00 49.32 ? 23 HIS A N 1 ATOM 173 C CA . HIS A 1 22 ? -32.536 38.716 0.462 1.00 53.70 ? 23 HIS A CA 1 ATOM 174 C C . HIS A 1 22 ? -33.472 37.538 0.198 1.00 51.89 ? 23 HIS A C 1 ATOM 175 O O . HIS A 1 22 ? -34.691 37.671 0.303 1.00 53.22 ? 23 HIS A O 1 ATOM 176 C CB . HIS A 1 22 ? -33.342 40.018 0.460 1.00 61.62 ? 23 HIS A CB 1 ATOM 177 C CG . HIS A 1 22 ? -32.596 41.194 1.007 1.00 68.59 ? 23 HIS A CG 1 ATOM 178 N ND1 . HIS A 1 22 ? -32.214 41.283 2.328 1.00 75.01 ? 23 HIS A ND1 1 ATOM 179 C CD2 . HIS A 1 22 ? -32.171 42.335 0.414 1.00 72.58 ? 23 HIS A CD2 1 ATOM 180 C CE1 . HIS A 1 22 ? -31.581 42.426 2.524 1.00 80.22 ? 23 HIS A CE1 1 ATOM 181 N NE2 . HIS A 1 22 ? -31.541 43.083 1.379 1.00 79.88 ? 23 HIS A NE2 1 ATOM 182 N N . GLN A 1 23 ? -32.900 36.388 -0.141 1.00 47.40 ? 24 GLN A N 1 ATOM 183 C CA . GLN A 1 23 ? -33.702 35.204 -0.422 1.00 52.99 ? 24 GLN A CA 1 ATOM 184 C C . GLN A 1 23 ? -33.528 34.138 0.654 1.00 53.98 ? 24 GLN A C 1 ATOM 185 O O . GLN A 1 23 ? -32.468 34.025 1.269 1.00 56.85 ? 24 GLN A O 1 ATOM 186 C CB . GLN A 1 23 ? -33.345 34.630 -1.794 1.00 55.47 ? 24 GLN A CB 1 ATOM 187 C CG . GLN A 1 23 ? -33.742 35.524 -2.957 1.00 64.26 ? 24 GLN A CG 1 ATOM 188 C CD . GLN A 1 23 ? -33.413 34.911 -4.304 1.00 75.00 ? 24 GLN A CD 1 ATOM 189 O OE1 . GLN A 1 23 ? -32.562 34.028 -4.407 1.00 75.97 ? 24 GLN A OE1 1 ATOM 190 N NE2 . GLN A 1 23 ? -34.093 35.376 -5.346 1.00 81.01 ? 24 GLN A NE2 1 ATOM 191 N N . ASP A 1 24 ? -34.583 33.362 0.878 1.00 48.21 ? 25 ASP A N 1 ATOM 192 C CA . ASP A 1 24 ? -34.555 32.287 1.861 1.00 42.74 ? 25 ASP A CA 1 ATOM 193 C C . ASP A 1 24 ? -35.313 31.065 1.355 1.00 39.33 ? 25 ASP A C 1 ATOM 194 O O . ASP A 1 24 ? -36.440 31.176 0.871 1.00 40.17 ? 25 ASP A O 1 ATOM 195 C CB . ASP A 1 24 ? -35.146 32.757 3.192 1.00 43.80 ? 25 ASP A CB 1 ATOM 196 C CG . ASP A 1 24 ? -34.323 33.849 3.842 1.00 46.00 ? 25 ASP A CG 1 ATOM 197 O OD1 . ASP A 1 24 ? -33.328 33.518 4.521 1.00 53.28 ? 25 ASP A OD1 1 ATOM 198 O OD2 . ASP A 1 24 ? -34.670 35.037 3.675 1.00 44.11 ? 25 ASP A OD2 1 ATOM 199 N N . ARG A 1 25 ? -34.684 29.901 1.466 1.00 41.92 ? 26 ARG A N 1 ATOM 200 C CA . ARG A 1 25 ? -35.302 28.646 1.055 1.00 47.78 ? 26 ARG A CA 1 ATOM 201 C C . ARG A 1 25 ? -35.085 27.577 2.115 1.00 46.87 ? 26 ARG A C 1 ATOM 202 O O . ARG A 1 25 ? -34.070 27.581 2.810 1.00 45.62 ? 26 ARG A O 1 ATOM 203 C CB . ARG A 1 25 ? -34.734 28.174 -0.285 1.00 55.73 ? 26 ARG A CB 1 ATOM 204 C CG . ARG A 1 25 ? -35.213 28.957 -1.495 1.00 63.02 ? 26 ARG A CG 1 ATOM 205 C CD . ARG A 1 25 ? -36.657 28.630 -1.832 1.00 63.44 ? 26 ARG A CD 1 ATOM 206 N NE . ARG A 1 25 ? -36.952 28.872 -3.242 1.00 67.82 ? 26 ARG A NE 1 ATOM 207 C CZ . ARG A 1 25 ? -37.372 30.034 -3.731 1.00 74.82 ? 26 ARG A CZ 1 ATOM 208 N NH1 . ARG A 1 25 ? -37.551 31.072 -2.924 1.00 74.17 ? 26 ARG A NH1 1 ATOM 209 N NH2 . ARG A 1 25 ? -37.613 30.158 -5.028 1.00 79.14 ? 26 ARG A NH2 1 ATOM 210 N N . SER A 1 26 ? -36.035 26.659 2.238 1.00 47.81 ? 27 SER A N 1 ATOM 211 C CA . SER A 1 26 ? -35.913 25.586 3.215 1.00 40.86 ? 27 SER A CA 1 ATOM 212 C C . SER A 1 26 ? -36.647 24.327 2.767 1.00 34.48 ? 27 SER A C 1 ATOM 213 O O . SER A 1 26 ? -37.757 24.393 2.239 1.00 38.72 ? 27 SER A O 1 ATOM 214 C CB . SER A 1 26 ? -36.437 26.045 4.576 1.00 47.43 ? 27 SER A CB 1 ATOM 215 O OG . SER A 1 26 ? -36.199 25.062 5.567 1.00 51.85 ? 27 SER A OG 1 ATOM 216 N N . TRP A 1 27 ? -36.011 23.181 2.979 1.00 34.54 ? 28 TRP A N 1 ATOM 217 C CA . TRP A 1 27 ? -36.600 21.890 2.652 1.00 43.10 ? 28 TRP A CA 1 ATOM 218 C C . TRP A 1 27 ? -36.443 20.926 3.821 1.00 49.10 ? 28 TRP A C 1 ATOM 219 O O . TRP A 1 27 ? -35.350 20.778 4.367 1.00 67.04 ? 28 TRP A O 1 ATOM 220 C CB . TRP A 1 27 ? -35.949 21.291 1.403 1.00 42.29 ? 28 TRP A CB 1 ATOM 221 C CG . TRP A 1 27 ? -36.100 22.113 0.161 1.00 50.75 ? 28 TRP A CG 1 ATOM 222 C CD1 . TRP A 1 27 ? -37.128 22.065 -0.734 1.00 57.55 ? 28 TRP A CD1 1 ATOM 223 C CD2 . TRP A 1 27 ? -35.181 23.095 -0.336 1.00 50.30 ? 28 TRP A CD2 1 ATOM 224 N NE1 . TRP A 1 27 ? -36.912 22.961 -1.754 1.00 55.19 ? 28 TRP A NE1 1 ATOM 225 C CE2 . TRP A 1 27 ? -35.724 23.606 -1.533 1.00 45.47 ? 28 TRP A CE2 1 ATOM 226 C CE3 . TRP A 1 27 ? -33.956 23.595 0.117 1.00 45.63 ? 28 TRP A CE3 1 ATOM 227 C CZ2 . TRP A 1 27 ? -35.083 24.592 -2.283 1.00 34.30 ? 28 TRP A CZ2 1 ATOM 228 C CZ3 . TRP A 1 27 ? -33.322 24.574 -0.630 1.00 42.91 ? 28 TRP A CZ3 1 ATOM 229 C CH2 . TRP A 1 27 ? -33.887 25.061 -1.816 1.00 37.44 ? 28 TRP A CH2 1 ATOM 230 N N . THR A 1 28 ? -37.532 20.272 4.206 1.00 40.17 ? 29 THR A N 1 ATOM 231 C CA . THR A 1 28 ? -37.456 19.235 5.225 1.00 29.79 ? 29 THR A CA 1 ATOM 232 C C . THR A 1 28 ? -37.714 17.873 4.598 1.00 31.41 ? 29 THR A C 1 ATOM 233 O O . THR A 1 28 ? -38.855 17.505 4.314 1.00 37.95 ? 29 THR A O 1 ATOM 234 C CB . THR A 1 28 ? -38.446 19.481 6.372 1.00 35.95 ? 29 THR A CB 1 ATOM 235 O OG1 . THR A 1 28 ? -38.106 20.704 7.035 1.00 47.47 ? 29 THR A OG1 1 ATOM 236 C CG2 . THR A 1 28 ? -38.386 18.341 7.378 1.00 33.15 ? 29 THR A CG2 1 ATOM 237 N N . LEU A 1 29 ? -36.634 17.136 4.375 1.00 29.18 ? 30 LEU A N 1 ATOM 238 C CA . LEU A 1 29 ? -36.703 15.826 3.750 1.00 36.14 ? 30 LEU A CA 1 ATOM 239 C C . LEU A 1 29 ? -36.790 14.736 4.812 1.00 40.56 ? 30 LEU A C 1 ATOM 240 O O . LEU A 1 29 ? -36.099 14.792 5.831 1.00 40.11 ? 30 LEU A O 1 ATOM 241 C CB . LEU A 1 29 ? -35.489 15.608 2.848 1.00 39.94 ? 30 LEU A CB 1 ATOM 242 C CG . LEU A 1 29 ? -35.139 16.778 1.925 1.00 43.62 ? 30 LEU A CG 1 ATOM 243 C CD1 . LEU A 1 29 ? -33.823 16.523 1.206 1.00 41.12 ? 30 LEU A CD1 1 ATOM 244 C CD2 . LEU A 1 29 ? -36.260 17.037 0.928 1.00 44.84 ? 30 LEU A CD2 1 ATOM 245 N N . THR A 1 30 ? -37.641 13.746 4.566 1.00 45.33 ? 31 THR A N 1 ATOM 246 C CA . THR A 1 30 ? -37.886 12.684 5.533 1.00 37.81 ? 31 THR A CA 1 ATOM 247 C C . THR A 1 30 ? -37.947 11.310 4.870 1.00 45.58 ? 31 THR A C 1 ATOM 248 O O . THR A 1 30 ? -38.734 11.084 3.949 1.00 49.69 ? 31 THR A O 1 ATOM 249 C CB . THR A 1 30 ? -39.200 12.922 6.300 1.00 45.41 ? 31 THR A CB 1 ATOM 250 O OG1 . THR A 1 30 ? -39.186 14.232 6.882 1.00 55.40 ? 31 THR A OG1 1 ATOM 251 C CG2 . THR A 1 30 ? -39.376 11.883 7.396 1.00 48.36 ? 31 THR A CG2 1 ATOM 252 N N . ALA A 1 31 ? -37.111 10.396 5.348 1.00 46.11 ? 32 ALA A N 1 ATOM 253 C CA . ALA A 1 31 ? -37.113 9.017 4.875 1.00 38.94 ? 32 ALA A CA 1 ATOM 254 C C . ALA A 1 31 ? -37.919 8.145 5.834 1.00 41.48 ? 32 ALA A C 1 ATOM 255 O O . ALA A 1 31 ? -38.182 8.553 6.964 1.00 47.53 ? 32 ALA A O 1 ATOM 256 C CB . ALA A 1 31 ? -35.684 8.501 4.743 1.00 35.45 ? 32 ALA A CB 1 ATOM 257 N N . PRO A 1 32 ? -38.337 6.951 5.383 1.00 38.27 ? 33 PRO A N 1 ATOM 258 C CA . PRO A 1 32 ? -39.000 6.010 6.294 1.00 43.62 ? 33 PRO A CA 1 ATOM 259 C C . PRO A 1 32 ? -38.074 5.560 7.427 1.00 42.72 ? 33 PRO A C 1 ATOM 260 O O . PRO A 1 32 ? -36.858 5.707 7.305 1.00 44.92 ? 33 PRO A O 1 ATOM 261 C CB . PRO A 1 32 ? -39.362 4.834 5.380 1.00 38.84 ? 33 PRO A CB 1 ATOM 262 C CG . PRO A 1 32 ? -39.445 5.428 4.020 1.00 38.82 ? 33 PRO A CG 1 ATOM 263 C CD . PRO A 1 32 ? -38.386 6.487 3.986 1.00 35.57 ? 33 PRO A CD 1 ATOM 264 N N . PRO A 1 33 ? -38.641 5.031 8.523 1.00 39.46 ? 34 PRO A N 1 ATOM 265 C CA . PRO A 1 33 ? -37.816 4.510 9.619 1.00 54.17 ? 34 PRO A CA 1 ATOM 266 C C . PRO A 1 33 ? -36.886 3.390 9.159 1.00 51.74 ? 34 PRO A C 1 ATOM 267 O O . PRO A 1 33 ? -37.314 2.493 8.435 1.00 56.10 ? 34 PRO A O 1 ATOM 268 C CB . PRO A 1 33 ? -38.850 3.987 10.627 1.00 44.01 ? 34 PRO A CB 1 ATOM 269 C CG . PRO A 1 33 ? -40.131 3.873 9.860 1.00 44.98 ? 34 PRO A CG 1 ATOM 270 C CD . PRO A 1 33 ? -40.077 4.957 8.836 1.00 42.33 ? 34 PRO A CD 1 ATOM 271 N N . GLY A 1 34 ? -35.626 3.452 9.577 1.00 38.83 ? 35 GLY A N 1 ATOM 272 C CA . GLY A 1 34 ? -34.638 2.477 9.157 1.00 38.52 ? 35 GLY A CA 1 ATOM 273 C C . GLY A 1 34 ? -33.874 2.964 7.941 1.00 40.53 ? 35 GLY A C 1 ATOM 274 O O . GLY A 1 34 ? -32.900 2.346 7.515 1.00 40.94 ? 35 GLY A O 1 ATOM 275 N N . PHE A 1 35 ? -34.328 4.080 7.381 1.00 33.97 ? 36 PHE A N 1 ATOM 276 C CA . PHE A 1 35 ? -33.670 4.688 6.234 1.00 39.33 ? 36 PHE A CA 1 ATOM 277 C C . PHE A 1 35 ? -33.087 6.050 6.599 1.00 41.88 ? 36 PHE A C 1 ATOM 278 O O . PHE A 1 35 ? -33.583 6.728 7.499 1.00 38.83 ? 36 PHE A O 1 ATOM 279 C CB . PHE A 1 35 ? -34.647 4.835 5.061 1.00 34.44 ? 36 PHE A CB 1 ATOM 280 C CG . PHE A 1 35 ? -35.136 3.525 4.502 1.00 37.36 ? 36 PHE A CG 1 ATOM 281 C CD1 . PHE A 1 35 ? -36.280 2.924 5.003 1.00 34.93 ? 36 PHE A CD1 1 ATOM 282 C CD2 . PHE A 1 35 ? -34.458 2.901 3.464 1.00 40.24 ? 36 PHE A CD2 1 ATOM 283 C CE1 . PHE A 1 35 ? -36.735 1.721 4.486 1.00 37.33 ? 36 PHE A CE1 1 ATOM 284 C CE2 . PHE A 1 35 ? -34.907 1.696 2.945 1.00 33.97 ? 36 PHE A CE2 1 ATOM 285 C CZ . PHE A 1 35 ? -36.047 1.107 3.455 1.00 36.13 ? 36 PHE A CZ 1 ATOM 286 N N . ARG A 1 36 ? -32.027 6.440 5.900 1.00 44.17 ? 37 ARG A N 1 ATOM 287 C CA . ARG A 1 36 ? -31.447 7.768 6.058 1.00 40.90 ? 37 ARG A CA 1 ATOM 288 C C . ARG A 1 36 ? -31.340 8.443 4.695 1.00 42.04 ? 37 ARG A C 1 ATOM 289 O O . ARG A 1 36 ? -31.615 7.828 3.664 1.00 39.07 ? 37 ARG A O 1 ATOM 290 C CB . ARG A 1 36 ? -30.073 7.693 6.726 1.00 39.38 ? 37 ARG A CB 1 ATOM 291 C CG . ARG A 1 36 ? -29.004 7.030 5.873 1.00 37.66 ? 37 ARG A CG 1 ATOM 292 C CD . ARG A 1 36 ? -27.643 7.086 6.547 1.00 30.71 ? 37 ARG A CD 1 ATOM 293 N NE . ARG A 1 36 ? -26.612 6.447 5.737 1.00 34.06 ? 37 ARG A NE 1 ATOM 294 C CZ . ARG A 1 36 ? -25.317 6.447 6.033 1.00 41.09 ? 37 ARG A CZ 1 ATOM 295 N NH1 . ARG A 1 36 ? -24.884 7.060 7.126 1.00 41.82 ? 37 ARG A NH1 1 ATOM 296 N NH2 . ARG A 1 36 ? -24.452 5.839 5.233 1.00 40.33 ? 37 ARG A NH2 1 ATOM 297 N N . LEU A 1 37 ? -30.934 9.707 4.692 1.00 39.04 ? 38 LEU A N 1 ATOM 298 C CA . LEU A 1 37 ? -30.870 10.475 3.455 1.00 35.86 ? 38 LEU A CA 1 ATOM 299 C C . LEU A 1 37 ? -29.437 10.749 3.010 1.00 43.61 ? 38 LEU A C 1 ATOM 300 O O . LEU A 1 37 ? -28.598 11.175 3.803 1.00 50.36 ? 38 LEU A O 1 ATOM 301 C CB . LEU A 1 37 ? -31.626 11.792 3.619 1.00 37.84 ? 38 LEU A CB 1 ATOM 302 C CG . LEU A 1 37 ? -33.119 11.632 3.899 1.00 41.11 ? 38 LEU A CG 1 ATOM 303 C CD1 . LEU A 1 37 ? -33.710 12.942 4.372 1.00 53.63 ? 38 LEU A CD1 1 ATOM 304 C CD2 . LEU A 1 37 ? -33.842 11.136 2.657 1.00 29.03 ? 38 LEU A CD2 1 ATOM 305 N N . ARG A 1 38 ? -29.171 10.496 1.732 1.00 46.63 ? 39 ARG A N 1 ATOM 306 C CA . ARG A 1 38 ? -27.873 10.777 1.131 1.00 36.86 ? 39 ARG A CA 1 ATOM 307 C C . ARG A 1 38 ? -27.971 12.020 0.255 1.00 42.60 ? 39 ARG A C 1 ATOM 308 O O . ARG A 1 38 ? -28.820 12.093 -0.630 1.00 45.33 ? 39 ARG A O 1 ATOM 309 C CB . ARG A 1 38 ? -27.391 9.580 0.308 1.00 34.91 ? 39 ARG A CB 1 ATOM 310 C CG . ARG A 1 38 ? -26.014 9.758 -0.309 1.00 37.57 ? 39 ARG A CG 1 ATOM 311 C CD . ARG A 1 38 ? -25.597 8.548 -1.137 1.00 42.84 ? 39 ARG A CD 1 ATOM 312 N NE . ARG A 1 38 ? -26.281 8.494 -2.427 1.00 51.13 ? 39 ARG A NE 1 ATOM 313 C CZ . ARG A 1 38 ? -27.344 7.738 -2.682 1.00 48.19 ? 39 ARG A CZ 1 ATOM 314 N NH1 . ARG A 1 38 ? -27.852 6.962 -1.734 1.00 53.22 ? 39 ARG A NH1 1 ATOM 315 N NH2 . ARG A 1 38 ? -27.899 7.755 -3.885 1.00 36.54 ? 39 ARG A NH2 1 ATOM 316 N N . LEU A 1 39 ? -27.104 12.997 0.505 1.00 45.50 ? 40 LEU A N 1 ATOM 317 C CA . LEU A 1 39 ? -27.145 14.261 -0.223 1.00 35.13 ? 40 LEU A CA 1 ATOM 318 C C . LEU A 1 39 ? -25.770 14.631 -0.773 1.00 38.87 ? 40 LEU A C 1 ATOM 319 O O . LEU A 1 39 ? -24.752 14.417 -0.118 1.00 42.71 ? 40 LEU A O 1 ATOM 320 C CB . LEU A 1 39 ? -27.675 15.377 0.685 1.00 36.08 ? 40 LEU A CB 1 ATOM 321 C CG . LEU A 1 39 ? -28.000 16.734 0.052 1.00 40.91 ? 40 LEU A CG 1 ATOM 322 C CD1 . LEU A 1 39 ? -29.225 17.341 0.712 1.00 46.51 ? 40 LEU A CD1 1 ATOM 323 C CD2 . LEU A 1 39 ? -26.821 17.691 0.155 1.00 40.85 ? 40 LEU A CD2 1 ATOM 324 N N . TYR A 1 40 ? -25.751 15.190 -1.980 1.00 45.22 ? 41 TYR A N 1 ATOM 325 C CA . TYR A 1 40 ? -24.511 15.636 -2.608 1.00 35.96 ? 41 TYR A CA 1 ATOM 326 C C . TYR A 1 40 ? -24.779 16.772 -3.588 1.00 34.42 ? 41 TYR A C 1 ATOM 327 O O . TYR A 1 40 ? -25.903 16.945 -4.054 1.00 34.80 ? 41 TYR A O 1 ATOM 328 C CB . TYR A 1 40 ? -23.808 14.474 -3.319 1.00 34.03 ? 41 TYR A CB 1 ATOM 329 C CG . TYR A 1 40 ? -24.692 13.663 -4.243 1.00 33.36 ? 41 TYR A CG 1 ATOM 330 C CD1 . TYR A 1 40 ? -25.465 12.618 -3.753 1.00 37.88 ? 41 TYR A CD1 1 ATOM 331 C CD2 . TYR A 1 40 ? -24.739 13.927 -5.607 1.00 33.50 ? 41 TYR A CD2 1 ATOM 332 C CE1 . TYR A 1 40 ? -26.270 11.868 -4.590 1.00 42.40 ? 41 TYR A CE1 1 ATOM 333 C CE2 . TYR A 1 40 ? -25.543 13.179 -6.454 1.00 31.50 ? 41 TYR A CE2 1 ATOM 334 C CZ . TYR A 1 40 ? -26.306 12.151 -5.938 1.00 36.55 ? 41 TYR A CZ 1 ATOM 335 O OH . TYR A 1 40 ? -27.107 11.401 -6.767 1.00 25.29 ? 41 TYR A OH 1 ATOM 336 N N . PHE A 1 41 ? -23.742 17.545 -3.893 1.00 36.34 ? 42 PHE A N 1 ATOM 337 C CA . PHE A 1 41 ? -23.871 18.691 -4.787 1.00 37.96 ? 42 PHE A CA 1 ATOM 338 C C . PHE A 1 41 ? -23.223 18.431 -6.144 1.00 41.00 ? 42 PHE A C 1 ATOM 339 O O . PHE A 1 41 ? -22.090 17.956 -6.218 1.00 45.49 ? 42 PHE A O 1 ATOM 340 C CB . PHE A 1 41 ? -23.244 19.939 -4.158 1.00 35.21 ? 42 PHE A CB 1 ATOM 341 C CG . PHE A 1 41 ? -23.982 20.457 -2.956 1.00 32.36 ? 42 PHE A CG 1 ATOM 342 C CD1 . PHE A 1 41 ? -23.811 19.869 -1.712 1.00 35.36 ? 42 PHE A CD1 1 ATOM 343 C CD2 . PHE A 1 41 ? -24.827 21.548 -3.065 1.00 28.57 ? 42 PHE A CD2 1 ATOM 344 C CE1 . PHE A 1 41 ? -24.483 20.351 -0.601 1.00 27.45 ? 42 PHE A CE1 1 ATOM 345 C CE2 . PHE A 1 41 ? -25.502 22.035 -1.959 1.00 28.93 ? 42 PHE A CE2 1 ATOM 346 C CZ . PHE A 1 41 ? -25.329 21.435 -0.726 1.00 29.63 ? 42 PHE A CZ 1 ATOM 347 N N . THR A 1 42 ? -23.946 18.744 -7.215 1.00 35.76 ? 43 THR A N 1 ATOM 348 C CA . THR A 1 42 ? -23.361 18.730 -8.550 1.00 37.73 ? 43 THR A CA 1 ATOM 349 C C . THR A 1 42 ? -22.822 20.115 -8.878 1.00 35.22 ? 43 THR A C 1 ATOM 350 O O . THR A 1 42 ? -21.956 20.267 -9.740 1.00 37.73 ? 43 THR A O 1 ATOM 351 C CB . THR A 1 42 ? -24.375 18.305 -9.632 1.00 37.45 ? 43 THR A CB 1 ATOM 352 O OG1 . THR A 1 42 ? -25.566 19.092 -9.511 1.00 40.80 ? 43 THR A OG1 1 ATOM 353 C CG2 . THR A 1 42 ? -24.726 16.834 -9.489 1.00 32.97 ? 43 THR A CG2 1 ATOM 354 N N . HIS A 1 43 ? -23.339 21.124 -8.181 1.00 30.13 ? 44 HIS A N 1 ATOM 355 C CA . HIS A 1 43 ? -22.882 22.495 -8.387 1.00 37.03 ? 44 HIS A CA 1 ATOM 356 C C . HIS A 1 43 ? -22.911 23.286 -7.083 1.00 35.17 ? 44 HIS A C 1 ATOM 357 O O . HIS A 1 43 ? -23.823 23.121 -6.276 1.00 34.99 ? 44 HIS A O 1 ATOM 358 C CB . HIS A 1 43 ? -23.744 23.190 -9.443 1.00 38.05 ? 44 HIS A CB 1 ATOM 359 C CG . HIS A 1 43 ? -23.194 24.502 -9.909 1.00 40.20 ? 44 HIS A CG 1 ATOM 360 N ND1 . HIS A 1 43 ? -22.347 24.611 -10.991 1.00 47.46 ? 44 HIS A ND1 1 ATOM 361 C CD2 . HIS A 1 43 ? -23.373 25.761 -9.444 1.00 36.08 ? 44 HIS A CD2 1 ATOM 362 C CE1 . HIS A 1 43 ? -22.027 25.880 -11.172 1.00 36.31 ? 44 HIS A CE1 1 ATOM 363 N NE2 . HIS A 1 43 ? -22.637 26.599 -10.246 1.00 39.44 ? 44 HIS A NE2 1 ATOM 364 N N . PHE A 1 44 ? -21.913 24.140 -6.874 1.00 35.34 ? 45 PHE A N 1 ATOM 365 C CA . PHE A 1 44 ? -21.889 24.993 -5.690 1.00 33.30 ? 45 PHE A CA 1 ATOM 366 C C . PHE A 1 44 ? -20.973 26.201 -5.866 1.00 40.07 ? 45 PHE A C 1 ATOM 367 O O . PHE A 1 44 ? -19.785 26.061 -6.157 1.00 43.38 ? 45 PHE A O 1 ATOM 368 C CB . PHE A 1 44 ? -21.458 24.197 -4.457 1.00 32.78 ? 45 PHE A CB 1 ATOM 369 C CG . PHE A 1 44 ? -21.729 24.904 -3.161 1.00 31.96 ? 45 PHE A CG 1 ATOM 370 C CD1 . PHE A 1 44 ? -20.797 25.776 -2.621 1.00 36.20 ? 45 PHE A CD1 1 ATOM 371 C CD2 . PHE A 1 44 ? -22.923 24.707 -2.488 1.00 30.77 ? 45 PHE A CD2 1 ATOM 372 C CE1 . PHE A 1 44 ? -21.047 26.431 -1.430 1.00 36.92 ? 45 PHE A CE1 1 ATOM 373 C CE2 . PHE A 1 44 ? -23.179 25.360 -1.297 1.00 36.06 ? 45 PHE A CE2 1 ATOM 374 C CZ . PHE A 1 44 ? -22.239 26.224 -0.768 1.00 35.56 ? 45 PHE A CZ 1 ATOM 375 N N . ASN A 1 45 ? -21.541 27.386 -5.670 1.00 39.75 ? 46 ASN A N 1 ATOM 376 C CA . ASN A 1 45 ? -20.812 28.639 -5.796 1.00 43.36 ? 46 ASN A CA 1 ATOM 377 C C . ASN A 1 45 ? -21.562 29.757 -5.081 1.00 48.74 ? 46 ASN A C 1 ATOM 378 O O . ASN A 1 45 ? -22.552 30.286 -5.595 1.00 60.19 ? 46 ASN A O 1 ATOM 379 C CB . ASN A 1 45 ? -20.597 28.995 -7.269 1.00 47.21 ? 46 ASN A CB 1 ATOM 380 C CG . ASN A 1 45 ? -19.780 30.262 -7.452 1.00 51.54 ? 46 ASN A CG 1 ATOM 381 O OD1 . ASN A 1 45 ? -20.327 31.341 -7.680 1.00 50.37 ? 46 ASN A OD1 1 ATOM 382 N ND2 . ASN A 1 45 ? -18.463 30.134 -7.355 1.00 52.66 ? 46 ASN A ND2 1 ATOM 383 N N . LEU A 1 46 ? -21.091 30.096 -3.885 1.00 42.84 ? 47 LEU A N 1 ATOM 384 C CA . LEU A 1 46 ? -21.721 31.124 -3.063 1.00 46.47 ? 47 LEU A CA 1 ATOM 385 C C . LEU A 1 46 ? -20.725 32.197 -2.643 1.00 55.08 ? 47 LEU A C 1 ATOM 386 O O . LEU A 1 46 ? -19.534 32.105 -2.934 1.00 55.55 ? 47 LEU A O 1 ATOM 387 C CB . LEU A 1 46 ? -22.358 30.502 -1.817 1.00 41.60 ? 47 LEU A CB 1 ATOM 388 C CG . LEU A 1 46 ? -23.838 30.115 -1.862 1.00 41.05 ? 47 LEU A CG 1 ATOM 389 C CD1 . LEU A 1 46 ? -24.097 29.000 -2.864 1.00 35.04 ? 47 LEU A CD1 1 ATOM 390 C CD2 . LEU A 1 46 ? -24.317 29.716 -0.473 1.00 35.45 ? 47 LEU A CD2 1 ATOM 391 N N . GLU A 1 47 ? -21.227 33.216 -1.953 1.00 60.18 ? 48 GLU A N 1 ATOM 392 C CA . GLU A 1 47 ? -20.381 34.274 -1.418 1.00 59.11 ? 48 GLU A CA 1 ATOM 393 C C . GLU A 1 47 ? -19.591 33.771 -0.215 1.00 58.98 ? 48 GLU A C 1 ATOM 394 O O . GLU A 1 47 ? -20.136 33.091 0.656 1.00 49.05 ? 48 GLU A O 1 ATOM 395 C CB . GLU A 1 47 ? -21.225 35.488 -1.021 1.00 53.62 ? 48 GLU A CB 1 ATOM 396 C CG . GLU A 1 47 ? -20.429 36.627 -0.407 1.00 55.37 ? 48 GLU A CG 1 ATOM 397 C CD . GLU A 1 47 ? -21.316 37.731 0.132 1.00 61.33 ? 48 GLU A CD 1 ATOM 398 O OE1 . GLU A 1 47 ? -22.553 37.562 0.108 1.00 61.43 ? 48 GLU A OE1 1 ATOM 399 O OE2 . GLU A 1 47 ? -20.778 38.765 0.580 1.00 64.20 ? 48 GLU A OE2 1 ATOM 400 N N . LEU A 1 48 ? -18.306 34.105 -0.173 1.00 55.74 ? 49 LEU A N 1 ATOM 401 C CA . LEU A 1 48 ? -17.463 33.726 0.951 1.00 48.84 ? 49 LEU A CA 1 ATOM 402 C C . LEU A 1 48 ? -17.515 34.781 2.052 1.00 49.08 ? 49 LEU A C 1 ATOM 403 O O . LEU A 1 48 ? -17.376 35.975 1.789 1.00 54.51 ? 49 LEU A O 1 ATOM 404 C CB . LEU A 1 48 ? -16.019 33.511 0.495 1.00 46.58 ? 49 LEU A CB 1 ATOM 405 C CG . LEU A 1 48 ? -15.036 33.034 1.567 1.00 48.46 ? 49 LEU A CG 1 ATOM 406 C CD1 . LEU A 1 48 ? -15.413 31.649 2.073 1.00 42.23 ? 49 LEU A CD1 1 ATOM 407 C CD2 . LEU A 1 48 ? -13.612 33.046 1.035 1.00 52.46 ? 49 LEU A CD2 1 ATOM 408 N N . SER A 1 49 ? -17.726 34.326 3.282 1.00 43.80 ? 50 SER A N 1 ATOM 409 C CA . SER A 1 49 ? -17.714 35.197 4.451 1.00 53.56 ? 50 SER A CA 1 ATOM 410 C C . SER A 1 49 ? -17.235 34.404 5.661 1.00 48.68 ? 50 SER A C 1 ATOM 411 O O . SER A 1 49 ? -17.211 33.175 5.620 1.00 42.73 ? 50 SER A O 1 ATOM 412 C CB . SER A 1 49 ? -19.100 35.788 4.709 1.00 59.84 ? 50 SER A CB 1 ATOM 413 O OG . SER A 1 49 ? -20.058 34.769 4.934 1.00 57.91 ? 50 SER A OG 1 ATOM 414 N N . TYR A 1 50 ? -16.854 35.098 6.730 1.00 47.78 ? 51 TYR A N 1 ATOM 415 C CA . TYR A 1 50 ? -16.363 34.419 7.927 1.00 47.92 ? 51 TYR A CA 1 ATOM 416 C C . TYR A 1 50 ? -17.439 33.537 8.544 1.00 48.96 ? 51 TYR A C 1 ATOM 417 O O . TYR A 1 50 ? -18.536 34.005 8.853 1.00 45.36 ? 51 TYR A O 1 ATOM 418 C CB . TYR A 1 50 ? -15.860 35.416 8.969 1.00 54.20 ? 51 TYR A CB 1 ATOM 419 C CG . TYR A 1 50 ? -15.490 34.750 10.276 1.00 63.54 ? 51 TYR A CG 1 ATOM 420 C CD1 . TYR A 1 50 ? -14.442 33.840 10.339 1.00 62.78 ? 51 TYR A CD1 1 ATOM 421 C CD2 . TYR A 1 50 ? -16.193 35.021 11.442 1.00 74.57 ? 51 TYR A CD2 1 ATOM 422 C CE1 . TYR A 1 50 ? -14.101 33.222 11.529 1.00 66.22 ? 51 TYR A CE1 1 ATOM 423 C CE2 . TYR A 1 50 ? -15.858 34.409 12.637 1.00 81.06 ? 51 TYR A CE2 1 ATOM 424 C CZ . TYR A 1 50 ? -14.812 33.510 12.674 1.00 77.49 ? 51 TYR A CZ 1 ATOM 425 O OH . TYR A 1 50 ? -14.476 32.899 13.861 1.00 82.80 ? 51 TYR A OH 1 ATOM 426 N N . ARG A 1 51 ? -17.106 32.259 8.714 1.00 51.22 ? 52 ARG A N 1 ATOM 427 C CA . ARG A 1 51 ? -18.044 31.245 9.190 1.00 48.56 ? 52 ARG A CA 1 ATOM 428 C C . ARG A 1 51 ? -19.318 31.206 8.347 1.00 49.06 ? 52 ARG A C 1 ATOM 429 O O . ARG A 1 51 ? -20.375 30.792 8.828 1.00 44.61 ? 52 ARG A O 1 ATOM 430 C CB . ARG A 1 51 ? -18.393 31.479 10.662 1.00 46.61 ? 52 ARG A CB 1 ATOM 431 C CG . ARG A 1 51 ? -17.253 31.197 11.629 1.00 52.79 ? 52 ARG A CG 1 ATOM 432 C CD . ARG A 1 51 ? -17.744 31.222 13.067 1.00 53.73 ? 52 ARG A CD 1 ATOM 433 N NE . ARG A 1 51 ? -18.817 30.255 13.283 1.00 47.29 ? 52 ARG A NE 1 ATOM 434 C CZ . ARG A 1 51 ? -19.569 30.201 14.378 1.00 49.12 ? 52 ARG A CZ 1 ATOM 435 N NH1 . ARG A 1 51 ? -19.370 31.063 15.367 1.00 52.42 ? 52 ARG A NH1 1 ATOM 436 N NH2 . ARG A 1 51 ? -20.523 29.286 14.482 1.00 46.96 ? 52 ARG A NH2 1 ATOM 437 N N . CYS A 1 52 ? -19.198 31.630 7.090 1.00 54.37 ? 53 CYS A N 1 ATOM 438 C CA . CYS A 1 52 ? -20.321 31.696 6.157 1.00 60.08 ? 53 CYS A CA 1 ATOM 439 C C . CYS A 1 52 ? -21.509 32.437 6.762 1.00 59.92 ? 53 CYS A C 1 ATOM 440 O O . CYS A 1 52 ? -22.613 31.901 6.854 1.00 60.07 ? 53 CYS A O 1 ATOM 441 C CB . CYS A 1 52 ? -20.732 30.289 5.719 1.00 56.12 ? 53 CYS A CB 1 ATOM 442 S SG . CYS A 1 52 ? -19.444 29.412 4.805 1.00 48.18 ? 53 CYS A SG 1 ATOM 443 N N . GLU A 1 53 ? -21.266 33.677 7.171 1.00 59.31 ? 54 GLU A N 1 ATOM 444 C CA . GLU A 1 53 ? -22.272 34.471 7.861 1.00 62.88 ? 54 GLU A CA 1 ATOM 445 C C . GLU A 1 53 ? -23.296 35.070 6.902 1.00 61.43 ? 54 GLU A C 1 ATOM 446 O O . GLU A 1 53 ? -24.495 35.068 7.181 1.00 56.44 ? 54 GLU A O 1 ATOM 447 C CB . GLU A 1 53 ? -21.597 35.584 8.663 1.00 68.08 ? 54 GLU A CB 1 ATOM 448 C CG . GLU A 1 53 ? -22.555 36.450 9.456 1.00 81.10 ? 54 GLU A CG 1 ATOM 449 C CD . GLU A 1 53 ? -21.851 37.587 10.166 1.00 94.20 ? 54 GLU A CD 1 ATOM 450 O OE1 . GLU A 1 53 ? -22.480 38.229 11.033 1.00 99.34 ? 54 GLU A OE1 1 ATOM 451 O OE2 . GLU A 1 53 ? -20.668 37.840 9.855 1.00 97.73 ? 54 GLU A OE2 1 ATOM 452 N N . TYR A 1 54 ? -22.819 35.579 5.770 1.00 60.81 ? 55 TYR A N 1 ATOM 453 C CA . TYR A 1 54 ? -23.681 36.281 4.824 1.00 47.85 ? 55 TYR A CA 1 ATOM 454 C C . TYR A 1 54 ? -24.602 35.310 4.094 1.00 47.32 ? 55 TYR A C 1 ATOM 455 O O . TYR A 1 54 ? -25.760 35.140 4.474 1.00 54.68 ? 55 TYR A O 1 ATOM 456 C CB . TYR A 1 54 ? -22.840 37.076 3.823 1.00 47.82 ? 55 TYR A CB 1 ATOM 457 C CG . TYR A 1 54 ? -21.941 38.118 4.460 1.00 55.82 ? 55 TYR A CG 1 ATOM 458 C CD1 . TYR A 1 54 ? -22.178 38.577 5.751 1.00 56.04 ? 55 TYR A CD1 1 ATOM 459 C CD2 . TYR A 1 54 ? -20.859 38.645 3.768 1.00 59.42 ? 55 TYR A CD2 1 ATOM 460 C CE1 . TYR A 1 54 ? -21.360 39.524 6.334 1.00 58.63 ? 55 TYR A CE1 1 ATOM 461 C CE2 . TYR A 1 54 ? -20.035 39.594 4.344 1.00 59.38 ? 55 TYR A CE2 1 ATOM 462 C CZ . TYR A 1 54 ? -20.290 40.030 5.627 1.00 63.26 ? 55 TYR A CZ 1 ATOM 463 O OH . TYR A 1 54 ? -19.474 40.976 6.204 1.00 68.54 ? 55 TYR A OH 1 ATOM 464 N N . ASP A 1 55 ? -24.090 34.678 3.043 1.00 50.36 ? 56 ASP A N 1 ATOM 465 C CA . ASP A 1 55 ? -24.843 33.649 2.332 1.00 48.00 ? 56 ASP A CA 1 ATOM 466 C C . ASP A 1 55 ? -24.402 32.274 2.802 1.00 44.00 ? 56 ASP A C 1 ATOM 467 O O . ASP A 1 55 ? -23.232 32.082 3.124 1.00 47.12 ? 56 ASP A O 1 ATOM 468 C CB . ASP A 1 55 ? -24.651 33.762 0.820 1.00 44.08 ? 56 ASP A CB 1 ATOM 469 C CG . ASP A 1 55 ? -24.892 35.160 0.303 1.00 59.35 ? 56 ASP A CG 1 ATOM 470 O OD1 . ASP A 1 55 ? -25.398 36.003 1.072 1.00 58.72 ? 56 ASP A OD1 1 ATOM 471 O OD2 . ASP A 1 55 ? -24.578 35.412 -0.879 1.00 67.16 ? 56 ASP A OD2 1 ATOM 472 N N . PHE A 1 56 ? -25.326 31.317 2.836 1.00 38.66 ? 57 PHE A N 1 ATOM 473 C CA . PHE A 1 56 ? -24.971 29.960 3.239 1.00 38.40 ? 57 PHE A CA 1 ATOM 474 C C . PHE A 1 56 ? -25.988 28.899 2.828 1.00 37.91 ? 57 PHE A C 1 ATOM 475 O O . PHE A 1 56 ? -27.163 29.191 2.594 1.00 49.38 ? 57 PHE A O 1 ATOM 476 C CB . PHE A 1 56 ? -24.763 29.895 4.760 1.00 40.48 ? 57 PHE A CB 1 ATOM 477 C CG . PHE A 1 56 ? -25.997 30.208 5.566 1.00 44.02 ? 57 PHE A CG 1 ATOM 478 C CD1 . PHE A 1 56 ? -26.901 29.210 5.898 1.00 42.93 ? 57 PHE A CD1 1 ATOM 479 C CD2 . PHE A 1 56 ? -26.240 31.498 6.012 1.00 46.89 ? 57 PHE A CD2 1 ATOM 480 C CE1 . PHE A 1 56 ? -28.030 29.494 6.645 1.00 47.13 ? 57 PHE A CE1 1 ATOM 481 C CE2 . PHE A 1 56 ? -27.366 31.788 6.763 1.00 42.79 ? 57 PHE A CE2 1 ATOM 482 C CZ . PHE A 1 56 ? -28.262 30.785 7.079 1.00 41.71 ? 57 PHE A CZ 1 ATOM 483 N N . VAL A 1 57 ? -25.506 27.662 2.742 1.00 31.72 ? 58 VAL A N 1 ATOM 484 C CA . VAL A 1 57 ? -26.361 26.489 2.625 1.00 32.92 ? 58 VAL A CA 1 ATOM 485 C C . VAL A 1 57 ? -26.097 25.580 3.820 1.00 37.84 ? 58 VAL A C 1 ATOM 486 O O . VAL A 1 57 ? -25.060 24.919 3.890 1.00 45.81 ? 58 VAL A O 1 ATOM 487 C CB . VAL A 1 57 ? -26.115 25.714 1.315 1.00 37.63 ? 58 VAL A CB 1 ATOM 488 C CG1 . VAL A 1 57 ? -26.898 24.408 1.315 1.00 27.56 ? 58 VAL A CG1 1 ATOM 489 C CG2 . VAL A 1 57 ? -26.487 26.568 0.110 1.00 40.78 ? 58 VAL A CG2 1 ATOM 490 N N . LYS A 1 58 ? -27.030 25.561 4.765 1.00 38.60 ? 59 LYS A N 1 ATOM 491 C CA . LYS A 1 58 ? -26.855 24.800 5.996 1.00 50.86 ? 59 LYS A CA 1 ATOM 492 C C . LYS A 1 58 ? -27.631 23.486 5.974 1.00 50.20 ? 59 LYS A C 1 ATOM 493 O O . LYS A 1 58 ? -28.792 23.439 5.564 1.00 49.66 ? 59 LYS A O 1 ATOM 494 C CB . LYS A 1 58 ? -27.282 25.640 7.204 1.00 57.82 ? 59 LYS A CB 1 ATOM 495 C CG . LYS A 1 58 ? -27.165 24.919 8.538 1.00 63.24 ? 59 LYS A CG 1 ATOM 496 C CD . LYS A 1 58 ? -27.420 25.859 9.706 1.00 79.25 ? 59 LYS A CD 1 ATOM 497 C CE . LYS A 1 58 ? -26.349 26.936 9.796 1.00 88.83 ? 59 LYS A CE 1 ATOM 498 N NZ . LYS A 1 58 ? -26.534 27.810 10.989 1.00 90.46 ? 59 LYS A NZ 1 ATOM 499 N N . LEU A 1 59 ? -26.969 22.420 6.415 1.00 44.91 ? 60 LEU A N 1 ATOM 500 C CA . LEU A 1 59 ? -27.590 21.109 6.529 1.00 37.89 ? 60 LEU A CA 1 ATOM 501 C C . LEU A 1 59 ? -27.650 20.696 7.992 1.00 41.57 ? 60 LEU A C 1 ATOM 502 O O . LEU A 1 59 ? -26.617 20.652 8.668 1.00 55.77 ? 60 LEU A O 1 ATOM 503 C CB . LEU A 1 59 ? -26.812 20.067 5.724 1.00 43.28 ? 60 LEU A CB 1 ATOM 504 C CG . LEU A 1 59 ? -26.395 20.436 4.300 1.00 44.17 ? 60 LEU A CG 1 ATOM 505 C CD1 . LEU A 1 59 ? -25.525 19.339 3.708 1.00 49.82 ? 60 LEU A CD1 1 ATOM 506 C CD2 . LEU A 1 59 ? -27.611 20.688 3.425 1.00 33.09 ? 60 LEU A CD2 1 ATOM 507 N N . THR A 1 60 ? -28.853 20.402 8.483 1.00 39.34 ? 61 THR A N 1 ATOM 508 C CA . THR A 1 60 ? -29.012 19.958 9.869 1.00 46.10 ? 61 THR A CA 1 ATOM 509 C C . THR A 1 60 ? -29.856 18.689 9.969 1.00 42.15 ? 61 THR A C 1 ATOM 510 O O . THR A 1 60 ? -30.675 18.413 9.100 1.00 43.47 ? 61 THR A O 1 ATOM 511 C CB . THR A 1 60 ? -29.656 21.053 10.750 1.00 48.37 ? 61 THR A CB 1 ATOM 512 O OG1 . THR A 1 60 ? -30.914 21.449 10.190 1.00 44.95 ? 61 THR A OG1 1 ATOM 513 C CG2 . THR A 1 60 ? -28.745 22.267 10.852 1.00 48.57 ? 61 THR A CG2 1 ATOM 514 N N . SER A 1 61 ? -29.645 17.916 11.030 1.00 41.98 ? 62 SER A N 1 ATOM 515 C CA . SER A 1 61 ? -30.460 16.733 11.296 1.00 48.84 ? 62 SER A CA 1 ATOM 516 C C . SER A 1 61 ? -30.965 16.745 12.731 1.00 69.08 ? 62 SER A C 1 ATOM 517 O O . SER A 1 61 ? -30.398 16.090 13.606 1.00 75.61 ? 62 SER A O 1 ATOM 518 C CB . SER A 1 61 ? -29.672 15.450 11.028 1.00 44.09 ? 62 SER A CB 1 ATOM 519 O OG . SER A 1 61 ? -29.626 15.158 9.643 1.00 43.35 ? 62 SER A OG 1 ATOM 520 N N . GLY A 1 62 ? -32.038 17.491 12.966 1.00 69.76 ? 63 GLY A N 1 ATOM 521 C CA . GLY A 1 62 ? -32.577 17.647 14.302 1.00 64.00 ? 63 GLY A CA 1 ATOM 522 C C . GLY A 1 62 ? -31.895 18.796 15.012 1.00 70.96 ? 63 GLY A C 1 ATOM 523 O O . GLY A 1 62 ? -32.214 19.961 14.775 1.00 72.86 ? 63 GLY A O 1 ATOM 524 N N . THR A 1 63 ? -30.944 18.468 15.879 1.00 75.88 ? 64 THR A N 1 ATOM 525 C CA . THR A 1 63 ? -30.188 19.485 16.598 1.00 73.19 ? 64 THR A CA 1 ATOM 526 C C . THR A 1 63 ? -28.771 19.578 16.048 1.00 64.24 ? 64 THR A C 1 ATOM 527 O O . THR A 1 63 ? -28.138 20.633 16.104 1.00 75.59 ? 64 THR A O 1 ATOM 528 C CB . THR A 1 63 ? -30.130 19.189 18.109 1.00 68.39 ? 64 THR A CB 1 ATOM 529 O OG1 . THR A 1 63 ? -29.274 18.066 18.349 1.00 65.49 ? 64 THR A OG1 1 ATOM 530 C CG2 . THR A 1 63 ? -31.520 18.888 18.646 1.00 68.81 ? 64 THR A CG2 1 ATOM 531 N N . LYS A 1 64 ? -28.282 18.465 15.512 1.00 44.30 ? 65 LYS A N 1 ATOM 532 C CA . LYS A 1 64 ? -26.923 18.395 14.992 1.00 47.26 ? 65 LYS A CA 1 ATOM 533 C C . LYS A 1 64 ? -26.747 19.261 13.750 1.00 43.86 ? 65 LYS A C 1 ATOM 534 O O . LYS A 1 64 ? -27.490 19.128 12.778 1.00 44.14 ? 65 LYS A O 1 ATOM 535 C CB . LYS A 1 64 ? -26.549 16.946 14.674 1.00 49.33 ? 65 LYS A CB 1 ATOM 536 C CG . LYS A 1 64 ? -26.759 15.984 15.833 1.00 48.99 ? 65 LYS A CG 1 ATOM 537 C CD . LYS A 1 64 ? -25.979 16.413 17.065 1.00 46.13 ? 65 LYS A CD 1 ATOM 538 C CE . LYS A 1 64 ? -26.251 15.481 18.233 1.00 50.37 ? 65 LYS A CE 1 ATOM 539 N NZ . LYS A 1 64 ? -25.574 15.930 19.483 1.00 64.70 ? 65 LYS A NZ 1 ATOM 540 N N . VAL A 1 65 ? -25.762 20.153 13.795 1.00 48.92 ? 66 VAL A N 1 ATOM 541 C CA . VAL A 1 65 ? -25.431 20.987 12.647 1.00 47.81 ? 66 VAL A CA 1 ATOM 542 C C . VAL A 1 65 ? -24.453 20.246 11.743 1.00 46.08 ? 66 VAL A C 1 ATOM 543 O O . VAL A 1 65 ? -23.242 20.281 11.965 1.00 40.86 ? 66 VAL A O 1 ATOM 544 C CB . VAL A 1 65 ? -24.819 22.331 13.074 1.00 50.50 ? 66 VAL A CB 1 ATOM 545 C CG1 . VAL A 1 65 ? -24.640 23.237 11.866 1.00 51.90 ? 66 VAL A CG1 1 ATOM 546 C CG2 . VAL A 1 65 ? -25.694 23.001 14.119 1.00 61.73 ? 66 VAL A CG2 1 ATOM 547 N N . LEU A 1 66 ? -24.986 19.571 10.730 1.00 44.24 ? 67 LEU A N 1 ATOM 548 C CA . LEU A 1 66 ? -24.170 18.736 9.856 1.00 47.41 ? 67 LEU A CA 1 ATOM 549 C C . LEU A 1 66 ? -23.195 19.561 9.028 1.00 43.14 ? 67 LEU A C 1 ATOM 550 O O . LEU A 1 66 ? -22.021 19.207 8.911 1.00 42.50 ? 67 LEU A O 1 ATOM 551 C CB . LEU A 1 66 ? -25.055 17.900 8.932 1.00 52.51 ? 67 LEU A CB 1 ATOM 552 C CG . LEU A 1 66 ? -25.975 16.884 9.607 1.00 51.20 ? 67 LEU A CG 1 ATOM 553 C CD1 . LEU A 1 66 ? -26.692 16.045 8.562 1.00 51.62 ? 67 LEU A CD1 1 ATOM 554 C CD2 . LEU A 1 66 ? -25.185 16.002 10.561 1.00 49.07 ? 67 LEU A CD2 1 ATOM 555 N N . ALA A 1 67 ? -23.678 20.658 8.453 1.00 36.86 ? 68 ALA A N 1 ATOM 556 C CA . ALA A 1 67 ? -22.816 21.478 7.610 1.00 40.71 ? 68 ALA A CA 1 ATOM 557 C C . ALA A 1 67 ? -23.290 22.921 7.487 1.00 45.28 ? 68 ALA A C 1 ATOM 558 O O . ALA A 1 67 ? -24.473 23.220 7.648 1.00 49.11 ? 68 ALA A O 1 ATOM 559 C CB . ALA A 1 67 ? -22.694 20.853 6.226 1.00 25.37 ? 68 ALA A CB 1 ATOM 560 N N . THR A 1 68 ? -22.343 23.809 7.205 1.00 44.74 ? 69 THR A N 1 ATOM 561 C CA . THR A 1 68 ? -22.637 25.200 6.889 1.00 47.78 ? 69 THR A CA 1 ATOM 562 C C . THR A 1 68 ? -21.745 25.614 5.725 1.00 49.06 ? 69 THR A C 1 ATOM 563 O O . THR A 1 68 ? -20.590 25.993 5.916 1.00 56.67 ? 69 THR A O 1 ATOM 564 C CB . THR A 1 68 ? -22.416 26.127 8.098 1.00 51.40 ? 69 THR A CB 1 ATOM 565 O OG1 . THR A 1 68 ? -23.261 25.713 9.178 1.00 48.87 ? 69 THR A OG1 1 ATOM 566 C CG2 . THR A 1 68 ? -22.744 27.569 7.734 1.00 50.93 ? 69 THR A CG2 1 ATOM 567 N N . LEU A 1 69 ? -22.291 25.530 4.517 1.00 44.47 ? 70 LEU A N 1 ATOM 568 C CA . LEU A 1 69 ? -21.490 25.624 3.301 1.00 35.86 ? 70 LEU A CA 1 ATOM 569 C C . LEU A 1 69 ? -21.535 27.005 2.654 1.00 27.87 ? 70 LEU A C 1 ATOM 570 O O . LEU A 1 69 ? -22.604 27.600 2.505 1.00 41.20 ? 70 LEU A O 1 ATOM 571 C CB . LEU A 1 69 ? -21.956 24.561 2.305 1.00 32.67 ? 70 LEU A CB 1 ATOM 572 C CG . LEU A 1 69 ? -22.004 23.143 2.881 1.00 29.07 ? 70 LEU A CG 1 ATOM 573 C CD1 . LEU A 1 69 ? -22.901 22.247 2.047 1.00 31.94 ? 70 LEU A CD1 1 ATOM 574 C CD2 . LEU A 1 69 ? -20.603 22.558 2.984 1.00 28.52 ? 70 LEU A CD2 1 ATOM 575 N N . CYS A 1 70 ? -20.363 27.507 2.272 1.00 35.33 ? 71 CYS A N 1 ATOM 576 C CA . CYS A 1 70 ? -20.242 28.815 1.633 1.00 38.91 ? 71 CYS A CA 1 ATOM 577 C C . CYS A 1 70 ? -19.119 28.822 0.598 1.00 35.36 ? 71 CYS A C 1 ATOM 578 O O . CYS A 1 70 ? -18.361 27.859 0.486 1.00 39.92 ? 71 CYS A O 1 ATOM 579 C CB . CYS A 1 70 ? -19.979 29.907 2.677 1.00 32.48 ? 71 CYS A CB 1 ATOM 580 S SG . CYS A 1 70 ? -21.203 30.019 3.998 1.00 180.63 ? 71 CYS A SG 1 ATOM 581 N N . GLY A 1 71 ? -19.022 29.914 -0.154 1.00 34.40 ? 72 GLY A N 1 ATOM 582 C CA . GLY A 1 71 ? -17.896 30.146 -1.042 1.00 40.96 ? 72 GLY A CA 1 ATOM 583 C C . GLY A 1 71 ? -17.712 29.141 -2.163 1.00 44.42 ? 72 GLY A C 1 ATOM 584 O O . GLY A 1 71 ? -18.664 28.499 -2.603 1.00 44.86 ? 72 GLY A O 1 ATOM 585 N N . GLN A 1 72 ? -16.472 29.011 -2.626 1.00 58.43 ? 73 GLN A N 1 ATOM 586 C CA . GLN A 1 72 ? -16.141 28.099 -3.715 1.00 61.88 ? 73 GLN A CA 1 ATOM 587 C C . GLN A 1 72 ? -15.245 26.962 -3.233 1.00 60.41 ? 73 GLN A C 1 ATOM 588 O O . GLN A 1 72 ? -15.485 25.794 -3.544 1.00 55.36 ? 73 GLN A O 1 ATOM 589 C CB . GLN A 1 72 ? -15.461 28.856 -4.858 1.00 66.97 ? 73 GLN A CB 1 ATOM 590 C CG . GLN A 1 72 ? -14.948 27.963 -5.977 1.00 81.83 ? 73 GLN A CG 1 ATOM 591 C CD . GLN A 1 72 ? -16.061 27.219 -6.689 1.00 89.82 ? 73 GLN A CD 1 ATOM 592 O OE1 . GLN A 1 72 ? -17.171 27.730 -6.837 1.00 91.19 ? 73 GLN A OE1 1 ATOM 593 N NE2 . GLN A 1 72 ? -15.769 26.002 -7.132 1.00 94.03 ? 73 GLN A NE2 1 ATOM 594 N N . GLU A 1 73 ? -14.208 27.313 -2.478 1.00 57.56 ? 74 GLU A N 1 ATOM 595 C CA . GLU A 1 73 ? -13.312 26.324 -1.890 1.00 64.33 ? 74 GLU A CA 1 ATOM 596 C C . GLU A 1 73 ? -13.258 26.473 -0.373 1.00 66.64 ? 74 GLU A C 1 ATOM 597 O O . GLU A 1 73 ? -13.443 27.567 0.161 1.00 66.66 ? 74 GLU A O 1 ATOM 598 C CB . GLU A 1 73 ? -11.906 26.444 -2.480 1.00 73.46 ? 74 GLU A CB 1 ATOM 599 C CG . GLU A 1 73 ? -11.790 25.961 -3.914 1.00 83.32 ? 74 GLU A CG 1 ATOM 600 C CD . GLU A 1 73 ? -10.354 25.912 -4.397 1.00 95.63 ? 74 GLU A CD 1 ATOM 601 O OE1 . GLU A 1 73 ? -9.483 26.523 -3.742 1.00 96.87 ? 74 GLU A OE1 1 ATOM 602 O OE2 . GLU A 1 73 ? -10.094 25.257 -5.428 1.00 101.87 ? 74 GLU A OE2 1 ATOM 603 N N . SER A 1 74 ? -12.998 25.366 0.316 1.00 58.27 ? 75 SER A N 1 ATOM 604 C CA . SER A 1 74 ? -12.996 25.354 1.774 1.00 52.39 ? 75 SER A CA 1 ATOM 605 C C . SER A 1 74 ? -11.799 26.099 2.355 1.00 54.22 ? 75 SER A C 1 ATOM 606 O O . SER A 1 74 ? -10.715 26.107 1.773 1.00 55.36 ? 75 SER A O 1 ATOM 607 C CB . SER A 1 74 ? -13.010 23.914 2.291 1.00 51.11 ? 75 SER A CB 1 ATOM 608 O OG . SER A 1 74 ? -14.145 23.212 1.816 1.00 54.20 ? 75 SER A OG 1 ATOM 609 N N . THR A 1 75 ? -12.010 26.730 3.506 1.00 55.60 ? 76 THR A N 1 ATOM 610 C CA . THR A 1 75 ? -10.933 27.391 4.232 1.00 60.08 ? 76 THR A CA 1 ATOM 611 C C . THR A 1 75 ? -10.716 26.693 5.568 1.00 55.61 ? 76 THR A C 1 ATOM 612 O O . THR A 1 75 ? -11.091 25.533 5.735 1.00 55.98 ? 76 THR A O 1 ATOM 613 C CB . THR A 1 75 ? -11.235 28.880 4.481 1.00 60.45 ? 76 THR A CB 1 ATOM 614 O OG1 . THR A 1 75 ? -12.311 29.000 5.421 1.00 60.39 ? 76 THR A OG1 1 ATOM 615 C CG2 . THR A 1 75 ? -11.615 29.574 3.182 1.00 46.86 ? 76 THR A CG2 1 ATOM 616 N N . ASP A 1 76 ? -10.115 27.401 6.518 1.00 57.81 ? 77 ASP A N 1 ATOM 617 C CA . ASP A 1 76 ? -9.939 26.859 7.859 1.00 56.95 ? 77 ASP A CA 1 ATOM 618 C C . ASP A 1 76 ? -11.161 27.140 8.726 1.00 60.87 ? 77 ASP A C 1 ATOM 619 O O . ASP A 1 76 ? -11.332 26.538 9.785 1.00 50.56 ? 77 ASP A O 1 ATOM 620 C CB . ASP A 1 76 ? -8.684 27.433 8.519 1.00 59.78 ? 77 ASP A CB 1 ATOM 621 C CG . ASP A 1 76 ? -7.423 26.709 8.097 1.00 63.46 ? 77 ASP A CG 1 ATOM 622 O OD1 . ASP A 1 76 ? -7.535 25.601 7.532 1.00 59.15 ? 77 ASP A OD1 1 ATOM 623 O OD2 . ASP A 1 76 ? -6.319 27.243 8.342 1.00 69.14 ? 77 ASP A OD2 1 ATOM 624 N N . THR A 1 77 ? -12.011 28.053 8.268 1.00 62.66 ? 78 THR A N 1 ATOM 625 C CA . THR A 1 77 ? -13.198 28.435 9.023 1.00 59.04 ? 78 THR A CA 1 ATOM 626 C C . THR A 1 77 ? -14.477 28.261 8.209 1.00 55.57 ? 78 THR A C 1 ATOM 627 O O . THR A 1 77 ? -15.580 28.375 8.744 1.00 55.84 ? 78 THR A O 1 ATOM 628 C CB . THR A 1 77 ? -13.106 29.895 9.511 1.00 59.39 ? 78 THR A CB 1 ATOM 629 O OG1 . THR A 1 77 ? -12.596 30.723 8.458 1.00 57.65 ? 78 THR A OG1 1 ATOM 630 C CG2 . THR A 1 77 ? -12.181 29.998 10.710 1.00 53.31 ? 78 THR A CG2 1 ATOM 631 N N . GLU A 1 78 ? -14.327 27.987 6.916 1.00 52.57 ? 79 GLU A N 1 ATOM 632 C CA . GLU A 1 78 ? -15.479 27.766 6.044 1.00 47.86 ? 79 GLU A CA 1 ATOM 633 C C . GLU A 1 78 ? -15.312 26.495 5.218 1.00 40.17 ? 79 GLU A C 1 ATOM 634 O O . GLU A 1 78 ? -14.192 26.083 4.914 1.00 47.10 ? 79 GLU A O 1 ATOM 635 C CB . GLU A 1 78 ? -15.699 28.962 5.114 1.00 48.62 ? 79 GLU A CB 1 ATOM 636 C CG . GLU A 1 78 ? -15.994 30.268 5.829 1.00 48.89 ? 79 GLU A CG 1 ATOM 637 C CD . GLU A 1 78 ? -14.737 30.981 6.281 1.00 59.01 ? 79 GLU A CD 1 ATOM 638 O OE1 . GLU A 1 78 ? -13.697 30.841 5.605 1.00 68.20 ? 79 GLU A OE1 1 ATOM 639 O OE2 . GLU A 1 78 ? -14.787 31.678 7.316 1.00 59.80 ? 79 GLU A OE2 1 ATOM 640 N N . ARG A 1 79 ? -16.433 25.882 4.852 1.00 35.18 ? 80 ARG A N 1 ATOM 641 C CA . ARG A 1 79 ? -16.403 24.637 4.096 1.00 42.58 ? 80 ARG A CA 1 ATOM 642 C C . ARG A 1 79 ? -17.214 24.717 2.807 1.00 44.93 ? 80 ARG A C 1 ATOM 643 O O . ARG A 1 79 ? -18.323 25.251 2.787 1.00 45.82 ? 80 ARG A O 1 ATOM 644 C CB . ARG A 1 79 ? -16.919 23.481 4.954 1.00 41.48 ? 80 ARG A CB 1 ATOM 645 C CG . ARG A 1 79 ? -16.924 22.140 4.236 1.00 44.11 ? 80 ARG A CG 1 ATOM 646 C CD . ARG A 1 79 ? -17.583 21.057 5.067 1.00 36.63 ? 80 ARG A CD 1 ATOM 647 N NE . ARG A 1 79 ? -17.560 19.767 4.386 1.00 36.09 ? 80 ARG A NE 1 ATOM 648 C CZ . ARG A 1 79 ? -18.068 18.647 4.890 1.00 42.57 ? 80 ARG A CZ 1 ATOM 649 N NH1 . ARG A 1 79 ? -18.643 18.657 6.084 1.00 51.26 ? 80 ARG A NH1 1 ATOM 650 N NH2 . ARG A 1 79 ? -18.003 17.517 4.199 1.00 43.89 ? 80 ARG A NH2 1 ATOM 651 N N . ALA A 1 80 ? -16.642 24.184 1.732 1.00 41.35 ? 81 ALA A N 1 ATOM 652 C CA . ALA A 1 80 ? -17.353 24.015 0.471 1.00 38.52 ? 81 ALA A CA 1 ATOM 653 C C . ALA A 1 80 ? -17.529 22.521 0.211 1.00 41.77 ? 81 ALA A C 1 ATOM 654 O O . ALA A 1 80 ? -16.644 21.729 0.535 1.00 51.66 ? 81 ALA A O 1 ATOM 655 C CB . ALA A 1 80 ? -16.601 24.685 -0.665 1.00 39.88 ? 81 ALA A CB 1 ATOM 656 N N . PRO A 1 81 ? -18.675 22.130 -0.366 1.00 38.61 ? 82 PRO A N 1 ATOM 657 C CA . PRO A 1 81 ? -19.036 20.714 -0.509 1.00 32.95 ? 82 PRO A CA 1 ATOM 658 C C . PRO A 1 81 ? -18.069 19.912 -1.370 1.00 37.62 ? 82 PRO A C 1 ATOM 659 O O . PRO A 1 81 ? -17.552 18.889 -0.923 1.00 38.85 ? 82 PRO A O 1 ATOM 660 C CB . PRO A 1 81 ? -20.414 20.766 -1.181 1.00 30.00 ? 82 PRO A CB 1 ATOM 661 C CG . PRO A 1 81 ? -20.921 22.136 -0.932 1.00 35.43 ? 82 PRO A CG 1 ATOM 662 C CD . PRO A 1 81 ? -19.718 23.016 -0.905 1.00 40.80 ? 82 PRO A CD 1 ATOM 663 N N . GLY A 1 82 ? -17.828 20.377 -2.591 1.00 32.71 ? 83 GLY A N 1 ATOM 664 C CA . GLY A 1 82 ? -17.118 19.573 -3.565 1.00 30.16 ? 83 GLY A CA 1 ATOM 665 C C . GLY A 1 82 ? -17.991 18.381 -3.896 1.00 30.98 ? 83 GLY A C 1 ATOM 666 O O . GLY A 1 82 ? -19.214 18.499 -3.949 1.00 35.32 ? 83 GLY A O 1 ATOM 667 N N . ASN A 1 83 ? -17.376 17.224 -4.102 1.00 37.23 ? 84 ASN A N 1 ATOM 668 C CA . ASN A 1 83 ? -18.145 16.020 -4.376 1.00 51.33 ? 84 ASN A CA 1 ATOM 669 C C . ASN A 1 83 ? -18.271 15.149 -3.130 1.00 52.08 ? 84 ASN A C 1 ATOM 670 O O . ASN A 1 83 ? -18.426 13.931 -3.222 1.00 58.30 ? 84 ASN A O 1 ATOM 671 C CB . ASN A 1 83 ? -17.512 15.236 -5.526 1.00 61.06 ? 84 ASN A CB 1 ATOM 672 C CG . ASN A 1 83 ? -17.581 15.984 -6.847 1.00 78.12 ? 84 ASN A CG 1 ATOM 673 O OD1 . ASN A 1 83 ? -18.384 15.655 -7.720 1.00 85.28 ? 84 ASN A OD1 1 ATOM 674 N ND2 . ASN A 1 83 ? -16.743 17.002 -6.994 1.00 96.34 ? 84 ASN A ND2 1 ATOM 675 N N . ASP A 1 84 ? -18.208 15.786 -1.964 1.00 41.79 ? 85 ASP A N 1 ATOM 676 C CA . ASP A 1 84 ? -18.388 15.085 -0.698 1.00 40.71 ? 85 ASP A CA 1 ATOM 677 C C . ASP A 1 84 ? -19.825 14.602 -0.549 1.00 45.04 ? 85 ASP A C 1 ATOM 678 O O . ASP A 1 84 ? -20.738 15.135 -1.177 1.00 44.50 ? 85 ASP A O 1 ATOM 679 C CB . ASP A 1 84 ? -18.017 15.985 0.482 1.00 33.26 ? 85 ASP A CB 1 ATOM 680 C CG . ASP A 1 84 ? -16.522 16.190 0.613 1.00 45.66 ? 85 ASP A CG 1 ATOM 681 O OD1 . ASP A 1 84 ? -15.793 15.891 -0.356 1.00 58.32 ? 85 ASP A OD1 1 ATOM 682 O OD2 . ASP A 1 84 ? -16.077 16.655 1.684 1.00 45.50 ? 85 ASP A OD2 1 ATOM 683 N N . THR A 1 85 ? -20.017 13.591 0.289 1.00 49.75 ? 86 THR A N 1 ATOM 684 C CA . THR A 1 85 ? -21.346 13.048 0.531 1.00 49.07 ? 86 THR A CA 1 ATOM 685 C C . THR A 1 85 ? -21.791 13.322 1.964 1.00 46.22 ? 86 THR A C 1 ATOM 686 O O . THR A 1 85 ? -21.061 13.045 2.916 1.00 53.91 ? 86 THR A O 1 ATOM 687 C CB . THR A 1 85 ? -21.390 11.536 0.256 1.00 44.80 ? 86 THR A CB 1 ATOM 688 O OG1 . THR A 1 85 ? -21.056 11.290 -1.116 1.00 50.29 ? 86 THR A OG1 1 ATOM 689 C CG2 . THR A 1 85 ? -22.773 10.990 0.535 1.00 36.22 ? 86 THR A CG2 1 ATOM 690 N N . PHE A 1 86 ? -22.990 13.877 2.108 1.00 36.99 ? 87 PHE A N 1 ATOM 691 C CA . PHE A 1 86 ? -23.539 14.202 3.419 1.00 29.18 ? 87 PHE A CA 1 ATOM 692 C C . PHE A 1 86 ? -24.683 13.261 3.769 1.00 29.29 ? 87 PHE A C 1 ATOM 693 O O . PHE A 1 86 ? -25.582 13.036 2.961 1.00 36.86 ? 87 PHE A O 1 ATOM 694 C CB . PHE A 1 86 ? -24.018 15.654 3.456 1.00 28.48 ? 87 PHE A CB 1 ATOM 695 C CG . PHE A 1 86 ? -22.972 16.643 3.034 1.00 38.76 ? 87 PHE A CG 1 ATOM 696 C CD1 . PHE A 1 86 ? -22.787 16.947 1.694 1.00 39.60 ? 87 PHE A CD1 1 ATOM 697 C CD2 . PHE A 1 86 ? -22.170 17.264 3.975 1.00 39.51 ? 87 PHE A CD2 1 ATOM 698 C CE1 . PHE A 1 86 ? -21.821 17.852 1.301 1.00 38.65 ? 87 PHE A CE1 1 ATOM 699 C CE2 . PHE A 1 86 ? -21.202 18.173 3.587 1.00 41.41 ? 87 PHE A CE2 1 ATOM 700 C CZ . PHE A 1 86 ? -21.028 18.467 2.249 1.00 32.27 ? 87 PHE A CZ 1 ATOM 701 N N . TYR A 1 87 ? -24.639 12.711 4.977 1.00 37.09 ? 88 TYR A N 1 ATOM 702 C CA . TYR A 1 87 ? -25.660 11.779 5.438 1.00 32.23 ? 88 TYR A CA 1 ATOM 703 C C . TYR A 1 87 ? -26.453 12.349 6.605 1.00 38.18 ? 88 TYR A C 1 ATOM 704 O O . TYR A 1 87 ? -25.897 13.001 7.489 1.00 47.67 ? 88 TYR A O 1 ATOM 705 C CB . TYR A 1 87 ? -25.026 10.449 5.845 1.00 31.94 ? 88 TYR A CB 1 ATOM 706 C CG . TYR A 1 87 ? -24.394 9.699 4.699 1.00 36.94 ? 88 TYR A CG 1 ATOM 707 C CD1 . TYR A 1 87 ? -25.171 8.960 3.817 1.00 34.53 ? 88 TYR A CD1 1 ATOM 708 C CD2 . TYR A 1 87 ? -23.020 9.723 4.502 1.00 43.75 ? 88 TYR A CD2 1 ATOM 709 C CE1 . TYR A 1 87 ? -24.600 8.269 2.769 1.00 32.67 ? 88 TYR A CE1 1 ATOM 710 C CE2 . TYR A 1 87 ? -22.439 9.033 3.455 1.00 44.92 ? 88 TYR A CE2 1 ATOM 711 C CZ . TYR A 1 87 ? -23.234 8.308 2.592 1.00 38.00 ? 88 TYR A CZ 1 ATOM 712 O OH . TYR A 1 87 ? -22.663 7.620 1.547 1.00 51.29 ? 88 TYR A OH 1 ATOM 713 N N . SER A 1 88 ? -27.756 12.095 6.607 1.00 34.73 ? 89 SER A N 1 ATOM 714 C CA . SER A 1 88 ? -28.611 12.535 7.699 1.00 36.09 ? 89 SER A CA 1 ATOM 715 C C . SER A 1 88 ? -28.392 11.674 8.937 1.00 38.21 ? 89 SER A C 1 ATOM 716 O O . SER A 1 88 ? -28.029 10.503 8.836 1.00 35.14 ? 89 SER A O 1 ATOM 717 C CB . SER A 1 88 ? -30.082 12.491 7.283 1.00 39.40 ? 89 SER A CB 1 ATOM 718 O OG . SER A 1 88 ? -30.488 11.167 6.979 1.00 42.73 ? 89 SER A OG 1 ATOM 719 N N . LEU A 1 89 ? -28.603 12.265 10.107 1.00 43.28 ? 90 LEU A N 1 ATOM 720 C CA . LEU A 1 89 ? -28.575 11.514 11.353 1.00 41.76 ? 90 LEU A CA 1 ATOM 721 C C . LEU A 1 89 ? -30.004 11.156 11.724 1.00 44.49 ? 90 LEU A C 1 ATOM 722 O O . LEU A 1 89 ? -30.700 11.929 12.382 1.00 54.81 ? 90 LEU A O 1 ATOM 723 C CB . LEU A 1 89 ? -27.898 12.316 12.464 1.00 38.43 ? 90 LEU A CB 1 ATOM 724 C CG . LEU A 1 89 ? -26.457 12.737 12.165 1.00 42.86 ? 90 LEU A CG 1 ATOM 725 C CD1 . LEU A 1 89 ? -25.876 13.535 13.317 1.00 58.72 ? 90 LEU A CD1 1 ATOM 726 C CD2 . LEU A 1 89 ? -25.592 11.523 11.863 1.00 32.50 ? 90 LEU A CD2 1 ATOM 727 N N . GLY A 1 90 ? -30.438 9.982 11.285 1.00 40.04 ? 91 GLY A N 1 ATOM 728 C CA . GLY A 1 90 ? -31.831 9.600 11.391 1.00 40.30 ? 91 GLY A CA 1 ATOM 729 C C . GLY A 1 90 ? -32.494 9.779 10.041 1.00 48.35 ? 91 GLY A C 1 ATOM 730 O O . GLY A 1 90 ? -31.829 10.113 9.061 1.00 45.48 ? 91 GLY A O 1 ATOM 731 N N . PRO A 1 91 ? -33.813 9.562 9.979 1.00 53.45 ? 92 PRO A N 1 ATOM 732 C CA . PRO A 1 91 ? -34.551 9.630 8.713 1.00 54.17 ? 92 PRO A CA 1 ATOM 733 C C . PRO A 1 91 ? -34.822 11.057 8.231 1.00 55.05 ? 92 PRO A C 1 ATOM 734 O O . PRO A 1 91 ? -35.386 11.233 7.152 1.00 55.67 ? 92 PRO A O 1 ATOM 735 C CB . PRO A 1 91 ? -35.873 8.918 9.040 1.00 52.81 ? 92 PRO A CB 1 ATOM 736 C CG . PRO A 1 91 ? -35.650 8.226 10.361 1.00 56.07 ? 92 PRO A CG 1 ATOM 737 C CD . PRO A 1 91 ? -34.658 9.075 11.079 1.00 47.22 ? 92 PRO A CD 1 ATOM 738 N N . SER A 1 92 ? -34.424 12.056 9.012 1.00 57.04 ? 93 SER A N 1 ATOM 739 C CA . SER A 1 92 ? -34.771 13.440 8.703 1.00 56.21 ? 93 SER A CA 1 ATOM 740 C C . SER A 1 92 ? -33.554 14.292 8.348 1.00 52.81 ? 93 SER A C 1 ATOM 741 O O . SER A 1 92 ? -32.449 14.051 8.834 1.00 55.94 ? 93 SER A O 1 ATOM 742 C CB . SER A 1 92 ? -35.515 14.067 9.884 1.00 57.67 ? 93 SER A CB 1 ATOM 743 O OG . SER A 1 92 ? -35.831 15.423 9.630 1.00 61.64 ? 93 SER A OG 1 ATOM 744 N N . LEU A 1 93 ? -33.772 15.293 7.499 1.00 37.78 ? 94 LEU A N 1 ATOM 745 C CA . LEU A 1 93 ? -32.714 16.218 7.100 1.00 38.67 ? 94 LEU A CA 1 ATOM 746 C C . LEU A 1 93 ? -33.290 17.547 6.625 1.00 42.76 ? 94 LEU A C 1 ATOM 747 O O . LEU A 1 93 ? -34.123 17.582 5.723 1.00 50.40 ? 94 LEU A O 1 ATOM 748 C CB . LEU A 1 93 ? -31.851 15.609 5.993 1.00 35.04 ? 94 LEU A CB 1 ATOM 749 C CG . LEU A 1 93 ? -30.789 16.535 5.396 1.00 38.60 ? 94 LEU A CG 1 ATOM 750 C CD1 . LEU A 1 93 ? -29.694 16.818 6.411 1.00 50.40 ? 94 LEU A CD1 1 ATOM 751 C CD2 . LEU A 1 93 ? -30.205 15.949 4.121 1.00 37.20 ? 94 LEU A CD2 1 ATOM 752 N N . LYS A 1 94 ? -32.841 18.640 7.233 1.00 41.04 ? 95 LYS A N 1 ATOM 753 C CA . LYS A 1 94 ? -33.280 19.970 6.830 1.00 39.88 ? 95 LYS A CA 1 ATOM 754 C C . LYS A 1 94 ? -32.180 20.721 6.083 1.00 39.73 ? 95 LYS A C 1 ATOM 755 O O . LYS A 1 94 ? -31.042 20.822 6.557 1.00 47.33 ? 95 LYS A O 1 ATOM 756 C CB . LYS A 1 94 ? -33.737 20.781 8.044 1.00 37.99 ? 95 LYS A CB 1 ATOM 757 C CG . LYS A 1 94 ? -34.113 22.214 7.705 1.00 48.52 ? 95 LYS A CG 1 ATOM 758 C CD . LYS A 1 94 ? -34.801 22.913 8.864 1.00 53.22 ? 95 LYS A CD 1 ATOM 759 C CE . LYS A 1 94 ? -35.106 24.361 8.517 1.00 61.03 ? 95 LYS A CE 1 ATOM 760 N NZ . LYS A 1 94 ? -35.928 25.031 9.560 1.00 74.12 ? 95 LYS A NZ 1 ATOM 761 N N . VAL A 1 95 ? -32.539 21.239 4.912 1.00 39.71 ? 96 VAL A N 1 ATOM 762 C CA . VAL A 1 95 ? -31.632 22.003 4.062 1.00 37.84 ? 96 VAL A CA 1 ATOM 763 C C . VAL A 1 95 ? -32.101 23.449 3.962 1.00 40.07 ? 96 VAL A C 1 ATOM 764 O O . VAL A 1 95 ? -33.240 23.707 3.584 1.00 44.13 ? 96 VAL A O 1 ATOM 765 C CB . VAL A 1 95 ? -31.546 21.406 2.639 1.00 33.46 ? 96 VAL A CB 1 ATOM 766 C CG1 . VAL A 1 95 ? -30.587 22.212 1.776 1.00 24.13 ? 96 VAL A CG1 1 ATOM 767 C CG2 . VAL A 1 95 ? -31.130 19.945 2.694 1.00 37.30 ? 96 VAL A CG2 1 ATOM 768 N N . THR A 1 96 ? -31.230 24.396 4.292 1.00 38.90 ? 97 THR A N 1 ATOM 769 C CA . THR A 1 96 ? -31.629 25.799 4.272 1.00 39.79 ? 97 THR A CA 1 ATOM 770 C C . THR A 1 96 ? -30.666 26.666 3.469 1.00 42.84 ? 97 THR A C 1 ATOM 771 O O . THR A 1 96 ? -29.464 26.668 3.716 1.00 43.10 ? 97 THR A O 1 ATOM 772 C CB . THR A 1 96 ? -31.744 26.365 5.701 1.00 39.16 ? 97 THR A CB 1 ATOM 773 O OG1 . THR A 1 96 ? -32.708 25.605 6.441 1.00 44.22 ? 97 THR A OG1 1 ATOM 774 C CG2 . THR A 1 96 ? -32.179 27.819 5.666 1.00 30.86 ? 97 THR A CG2 1 ATOM 775 N N . PHE A 1 97 ? -31.207 27.399 2.501 1.00 43.10 ? 98 PHE A N 1 ATOM 776 C CA . PHE A 1 97 ? -30.425 28.351 1.724 1.00 40.12 ? 98 PHE A CA 1 ATOM 777 C C . PHE A 1 97 ? -30.748 29.777 2.150 1.00 44.55 ? 98 PHE A C 1 ATOM 778 O O . PHE A 1 97 ? -31.916 30.130 2.330 1.00 46.96 ? 98 PHE A O 1 ATOM 779 C CB . PHE A 1 97 ? -30.686 28.176 0.226 1.00 42.84 ? 98 PHE A CB 1 ATOM 780 C CG . PHE A 1 97 ? -30.177 29.313 -0.617 1.00 31.52 ? 98 PHE A CG 1 ATOM 781 C CD1 . PHE A 1 97 ? -28.827 29.432 -0.903 1.00 29.02 ? 98 PHE A CD1 1 ATOM 782 C CD2 . PHE A 1 97 ? -31.052 30.261 -1.128 1.00 30.64 ? 98 PHE A CD2 1 ATOM 783 C CE1 . PHE A 1 97 ? -28.356 30.478 -1.678 1.00 30.44 ? 98 PHE A CE1 1 ATOM 784 C CE2 . PHE A 1 97 ? -30.587 31.309 -1.904 1.00 32.05 ? 98 PHE A CE2 1 ATOM 785 C CZ . PHE A 1 97 ? -29.238 31.417 -2.179 1.00 31.60 ? 98 PHE A CZ 1 ATOM 786 N N . HIS A 1 98 ? -29.712 30.593 2.308 1.00 48.00 ? 99 HIS A N 1 ATOM 787 C CA . HIS A 1 98 ? -29.899 31.986 2.697 1.00 43.30 ? 99 HIS A CA 1 ATOM 788 C C . HIS A 1 98 ? -28.910 32.911 1.996 1.00 44.82 ? 99 HIS A C 1 ATOM 789 O O . HIS A 1 98 ? -27.751 32.552 1.784 1.00 33.87 ? 99 HIS A O 1 ATOM 790 C CB . HIS A 1 98 ? -29.768 32.141 4.213 1.00 38.62 ? 99 HIS A CB 1 ATOM 791 C CG . HIS A 1 98 ? -29.707 33.565 4.671 1.00 45.14 ? 99 HIS A CG 1 ATOM 792 N ND1 . HIS A 1 98 ? -30.825 34.364 4.774 1.00 39.03 ? 99 HIS A ND1 1 ATOM 793 C CD2 . HIS A 1 98 ? -28.658 34.339 5.040 1.00 37.95 ? 99 HIS A CD2 1 ATOM 794 C CE1 . HIS A 1 98 ? -30.470 35.565 5.194 1.00 44.05 ? 99 HIS A CE1 1 ATOM 795 N NE2 . HIS A 1 98 ? -29.160 35.576 5.363 1.00 40.78 ? 99 HIS A NE2 1 ATOM 796 N N . SER A 1 99 ? -29.380 34.103 1.641 1.00 48.47 ? 100 SER A N 1 ATOM 797 C CA . SER A 1 99 ? -28.530 35.126 1.045 1.00 48.21 ? 100 SER A CA 1 ATOM 798 C C . SER A 1 99 ? -28.758 36.469 1.734 1.00 50.38 ? 100 SER A C 1 ATOM 799 O O . SER A 1 99 ? -29.878 36.780 2.141 1.00 54.50 ? 100 SER A O 1 ATOM 800 C CB . SER A 1 99 ? -28.798 35.246 -0.457 1.00 47.72 ? 100 SER A CB 1 ATOM 801 O OG . SER A 1 99 ? -30.134 35.649 -0.710 1.00 46.23 ? 100 SER A OG 1 ATOM 802 N N . ASP A 1 100 ? -27.697 37.260 1.868 1.00 50.52 ? 101 ASP A N 1 ATOM 803 C CA . ASP A 1 100 ? -27.803 38.557 2.527 1.00 44.60 ? 101 ASP A CA 1 ATOM 804 C C . ASP A 1 100 ? -28.237 39.641 1.539 1.00 49.68 ? 101 ASP A C 1 ATOM 805 O O . ASP A 1 100 ? -28.916 39.354 0.554 1.00 46.35 ? 101 ASP A O 1 ATOM 806 C CB . ASP A 1 100 ? -26.478 38.935 3.203 1.00 47.04 ? 101 ASP A CB 1 ATOM 807 C CG . ASP A 1 100 ? -25.358 39.188 2.210 1.00 53.90 ? 101 ASP A CG 1 ATOM 808 O OD1 . ASP A 1 100 ? -25.482 38.765 1.045 1.00 47.17 ? 101 ASP A OD1 1 ATOM 809 O OD2 . ASP A 1 100 ? -24.348 39.813 2.600 1.00 62.23 ? 101 ASP A OD2 1 ATOM 810 N N . TYR A 1 101 ? -27.836 40.880 1.803 1.00 57.94 ? 102 TYR A N 1 ATOM 811 C CA . TYR A 1 101 ? -28.321 42.023 1.038 1.00 59.06 ? 102 TYR A CA 1 ATOM 812 C C . TYR A 1 101 ? -27.570 42.259 -0.271 1.00 61.38 ? 102 TYR A C 1 ATOM 813 O O . TYR A 1 101 ? -28.120 42.848 -1.201 1.00 67.61 ? 102 TYR A O 1 ATOM 814 C CB . TYR A 1 101 ? -28.258 43.290 1.896 1.00 60.50 ? 102 TYR A CB 1 ATOM 815 C CG . TYR A 1 101 ? -26.856 43.765 2.208 1.00 60.36 ? 102 TYR A CG 1 ATOM 816 C CD1 . TYR A 1 101 ? -26.096 43.150 3.195 1.00 59.69 ? 102 TYR A CD1 1 ATOM 817 C CD2 . TYR A 1 101 ? -26.297 44.837 1.524 1.00 65.29 ? 102 TYR A CD2 1 ATOM 818 C CE1 . TYR A 1 101 ? -24.815 43.583 3.485 1.00 67.22 ? 102 TYR A CE1 1 ATOM 819 C CE2 . TYR A 1 101 ? -25.017 45.277 1.807 1.00 69.62 ? 102 TYR A CE2 1 ATOM 820 C CZ . TYR A 1 101 ? -24.281 44.647 2.788 1.00 71.01 ? 102 TYR A CZ 1 ATOM 821 O OH . TYR A 1 101 ? -23.008 45.083 3.073 1.00 76.22 ? 102 TYR A OH 1 ATOM 822 N N . SER A 1 102 ? -26.322 41.808 -0.355 1.00 59.73 ? 103 SER A N 1 ATOM 823 C CA . SER A 1 102 ? -25.503 42.120 -1.524 1.00 57.79 ? 103 SER A CA 1 ATOM 824 C C . SER A 1 102 ? -24.631 40.965 -2.005 1.00 60.60 ? 103 SER A C 1 ATOM 825 O O . SER A 1 102 ? -24.225 40.107 -1.223 1.00 60.12 ? 103 SER A O 1 ATOM 826 C CB . SER A 1 102 ? -24.612 43.327 -1.228 1.00 56.39 ? 103 SER A CB 1 ATOM 827 O OG . SER A 1 102 ? -23.680 43.027 -0.204 1.00 56.12 ? 103 SER A OG 1 ATOM 828 N N . ASN A 1 103 ? -24.347 40.966 -3.305 1.00 59.41 ? 104 ASN A N 1 ATOM 829 C CA . ASN A 1 103 ? -23.397 40.036 -3.907 1.00 56.04 ? 104 ASN A CA 1 ATOM 830 C C . ASN A 1 103 ? -22.484 40.752 -4.896 1.00 59.41 ? 104 ASN A C 1 ATOM 831 O O . ASN A 1 103 ? -22.900 41.078 -6.008 1.00 65.00 ? 104 ASN A O 1 ATOM 832 C CB . ASN A 1 103 ? -24.126 38.889 -4.608 1.00 56.25 ? 104 ASN A CB 1 ATOM 833 C CG . ASN A 1 103 ? -24.677 37.870 -3.636 1.00 69.14 ? 104 ASN A CG 1 ATOM 834 O OD1 . ASN A 1 103 ? -23.955 36.992 -3.166 1.00 74.52 ? 104 ASN A OD1 1 ATOM 835 N ND2 . ASN A 1 103 ? -25.964 37.979 -3.329 1.00 75.91 ? 104 ASN A ND2 1 ATOM 836 N N . GLU A 1 104 ? -21.243 40.994 -4.484 1.00 59.75 ? 105 GLU A N 1 ATOM 837 C CA . GLU A 1 104 ? -20.282 41.729 -5.302 1.00 64.18 ? 105 GLU A CA 1 ATOM 838 C C . GLU A 1 104 ? -20.042 41.052 -6.648 1.00 61.89 ? 105 GLU A C 1 ATOM 839 O O . GLU A 1 104 ? -20.082 41.699 -7.694 1.00 65.98 ? 105 GLU A O 1 ATOM 840 C CB . GLU A 1 104 ? -18.956 41.886 -4.555 1.00 68.61 ? 105 GLU A CB 1 ATOM 841 C CG . GLU A 1 104 ? -19.051 42.707 -3.275 1.00 75.32 ? 105 GLU A CG 1 ATOM 842 C CD . GLU A 1 104 ? -19.275 44.188 -3.534 1.00 86.40 ? 105 GLU A CD 1 ATOM 843 O OE1 . GLU A 1 104 ? -19.063 44.637 -4.681 1.00 93.58 ? 105 GLU A OE1 1 ATOM 844 O OE2 . GLU A 1 104 ? -19.662 44.904 -2.587 1.00 86.25 ? 105 GLU A OE2 1 ATOM 845 N N . LYS A 1 105 ? -19.795 39.748 -6.613 1.00 58.27 ? 106 LYS A N 1 ATOM 846 C CA . LYS A 1 105 ? -19.610 38.971 -7.832 1.00 57.52 ? 106 LYS A CA 1 ATOM 847 C C . LYS A 1 105 ? -20.873 38.170 -8.134 1.00 52.75 ? 106 LYS A C 1 ATOM 848 O O . LYS A 1 105 ? -21.629 37.839 -7.224 1.00 51.56 ? 106 LYS A O 1 ATOM 849 C CB . LYS A 1 105 ? -18.399 38.042 -7.701 1.00 60.29 ? 106 LYS A CB 1 ATOM 850 C CG . LYS A 1 105 ? -17.069 38.771 -7.567 1.00 63.52 ? 106 LYS A CG 1 ATOM 851 C CD . LYS A 1 105 ? -16.840 39.715 -8.738 1.00 73.18 ? 106 LYS A CD 1 ATOM 852 C CE . LYS A 1 105 ? -15.515 40.450 -8.614 1.00 76.96 ? 106 LYS A CE 1 ATOM 853 N NZ . LYS A 1 105 ? -14.356 39.518 -8.657 1.00 78.85 ? 106 LYS A NZ 1 ATOM 854 N N . PRO A 1 106 ? -21.116 37.871 -9.418 1.00 58.26 ? 107 PRO A N 1 ATOM 855 C CA . PRO A 1 106 ? -22.292 37.075 -9.787 1.00 57.82 ? 107 PRO A CA 1 ATOM 856 C C . PRO A 1 106 ? -22.170 35.610 -9.369 1.00 63.34 ? 107 PRO A C 1 ATOM 857 O O . PRO A 1 106 ? -21.893 34.753 -10.208 1.00 68.69 ? 107 PRO A O 1 ATOM 858 C CB . PRO A 1 106 ? -22.337 37.203 -11.312 1.00 58.66 ? 107 PRO A CB 1 ATOM 859 C CG . PRO A 1 106 ? -20.929 37.494 -11.706 1.00 54.45 ? 107 PRO A CG 1 ATOM 860 C CD . PRO A 1 106 ? -20.374 38.340 -10.601 1.00 56.37 ? 107 PRO A CD 1 ATOM 861 N N . PHE A 1 107 ? -22.375 35.334 -8.084 1.00 59.06 ? 108 PHE A N 1 ATOM 862 C CA . PHE A 1 107 ? -22.347 33.965 -7.583 1.00 51.36 ? 108 PHE A CA 1 ATOM 863 C C . PHE A 1 107 ? -23.558 33.201 -8.105 1.00 48.61 ? 108 PHE A C 1 ATOM 864 O O . PHE A 1 107 ? -24.678 33.710 -8.087 1.00 46.65 ? 108 PHE A O 1 ATOM 865 C CB . PHE A 1 107 ? -22.311 33.951 -6.055 1.00 48.31 ? 108 PHE A CB 1 ATOM 866 C CG . PHE A 1 107 ? -21.202 34.779 -5.472 1.00 53.71 ? 108 PHE A CG 1 ATOM 867 C CD1 . PHE A 1 107 ? -19.883 34.370 -5.581 1.00 52.83 ? 108 PHE A CD1 1 ATOM 868 C CD2 . PHE A 1 107 ? -21.478 35.967 -4.816 1.00 57.56 ? 108 PHE A CD2 1 ATOM 869 C CE1 . PHE A 1 107 ? -18.860 35.131 -5.049 1.00 53.41 ? 108 PHE A CE1 1 ATOM 870 C CE2 . PHE A 1 107 ? -20.460 36.733 -4.282 1.00 59.76 ? 108 PHE A CE2 1 ATOM 871 C CZ . PHE A 1 107 ? -19.149 36.314 -4.397 1.00 61.27 ? 108 PHE A CZ 1 ATOM 872 N N . THR A 1 108 ? -23.329 31.975 -8.563 1.00 48.34 ? 109 THR A N 1 ATOM 873 C CA . THR A 1 108 ? -24.336 31.259 -9.338 1.00 48.01 ? 109 THR A CA 1 ATOM 874 C C . THR A 1 108 ? -25.059 30.139 -8.586 1.00 43.50 ? 109 THR A C 1 ATOM 875 O O . THR A 1 108 ? -25.705 29.294 -9.205 1.00 47.58 ? 109 THR A O 1 ATOM 876 C CB . THR A 1 108 ? -23.709 30.665 -10.612 1.00 55.90 ? 109 THR A CB 1 ATOM 877 O OG1 . THR A 1 108 ? -24.659 29.812 -11.261 1.00 66.88 ? 109 THR A OG1 1 ATOM 878 C CG2 . THR A 1 108 ? -22.463 29.868 -10.268 1.00 46.86 ? 109 THR A CG2 1 ATOM 879 N N . GLY A 1 109 ? -24.959 30.131 -7.261 1.00 55.18 ? 110 GLY A N 1 ATOM 880 C CA . GLY A 1 109 ? -25.764 29.224 -6.459 1.00 53.15 ? 110 GLY A CA 1 ATOM 881 C C . GLY A 1 109 ? -25.356 27.766 -6.529 1.00 50.74 ? 110 GLY A C 1 ATOM 882 O O . GLY A 1 109 ? -24.195 27.453 -6.774 1.00 61.39 ? 110 GLY A O 1 ATOM 883 N N . PHE A 1 110 ? -26.317 26.868 -6.326 1.00 47.41 ? 111 PHE A N 1 ATOM 884 C CA . PHE A 1 110 ? -26.007 25.449 -6.185 1.00 45.57 ? 111 PHE A CA 1 ATOM 885 C C . PHE A 1 110 ? -27.022 24.519 -6.845 1.00 41.01 ? 111 PHE A C 1 ATOM 886 O O . PHE A 1 110 ? -28.179 24.884 -7.049 1.00 39.47 ? 111 PHE A O 1 ATOM 887 C CB . PHE A 1 110 ? -25.902 25.088 -4.700 1.00 47.81 ? 111 PHE A CB 1 ATOM 888 C CG . PHE A 1 110 ? -27.222 25.110 -3.978 1.00 46.95 ? 111 PHE A CG 1 ATOM 889 C CD1 . PHE A 1 110 ? -27.963 23.948 -3.820 1.00 47.17 ? 111 PHE A CD1 1 ATOM 890 C CD2 . PHE A 1 110 ? -27.726 26.293 -3.464 1.00 49.76 ? 111 PHE A CD2 1 ATOM 891 C CE1 . PHE A 1 110 ? -29.178 23.966 -3.161 1.00 46.90 ? 111 PHE A CE1 1 ATOM 892 C CE2 . PHE A 1 110 ? -28.940 26.317 -2.803 1.00 49.67 ? 111 PHE A CE2 1 ATOM 893 C CZ . PHE A 1 110 ? -29.667 25.153 -2.652 1.00 50.29 ? 111 PHE A CZ 1 ATOM 894 N N . GLU A 1 111 ? -26.570 23.308 -7.164 1.00 49.75 ? 112 GLU A N 1 ATOM 895 C CA . GLU A 1 111 ? -27.456 22.206 -7.529 1.00 43.55 ? 112 GLU A CA 1 ATOM 896 C C . GLU A 1 111 ? -27.051 20.963 -6.744 1.00 40.67 ? 112 GLU A C 1 ATOM 897 O O . GLU A 1 111 ? -25.889 20.537 -6.791 1.00 42.72 ? 112 GLU A O 1 ATOM 898 C CB . GLU A 1 111 ? -27.415 21.916 -9.033 1.00 39.82 ? 112 GLU A CB 1 ATOM 899 C CG . GLU A 1 111 ? -28.345 20.778 -9.461 1.00 34.26 ? 112 GLU A CG 1 ATOM 900 C CD . GLU A 1 111 ? -28.280 20.476 -10.951 1.00 48.34 ? 112 GLU A CD 1 ATOM 901 O OE1 . GLU A 1 111 ? -27.166 20.246 -11.470 1.00 54.46 ? 112 GLU A OE1 1 ATOM 902 O OE2 . GLU A 1 111 ? -29.346 20.467 -11.604 1.00 44.12 ? 112 GLU A OE2 1 ATOM 903 N N . ALA A 1 112 ? -28.017 20.394 -6.026 1.00 38.67 ? 113 ALA A N 1 ATOM 904 C CA . ALA A 1 112 ? -27.788 19.224 -5.186 1.00 45.01 ? 113 ALA A CA 1 ATOM 905 C C . ALA A 1 112 ? -28.871 18.167 -5.390 1.00 44.46 ? 113 ALA A C 1 ATOM 906 O O . ALA A 1 112 ? -30.003 18.486 -5.751 1.00 43.67 ? 113 ALA A O 1 ATOM 907 C CB . ALA A 1 112 ? -27.722 19.631 -3.721 1.00 39.00 ? 113 ALA A CB 1 ATOM 908 N N . PHE A 1 113 ? -28.514 16.908 -5.151 1.00 36.92 ? 114 PHE A N 1 ATOM 909 C CA . PHE A 1 113 ? -29.444 15.793 -5.309 1.00 35.63 ? 114 PHE A CA 1 ATOM 910 C C . PHE A 1 113 ? -29.506 14.947 -4.040 1.00 41.63 ? 114 PHE A C 1 ATOM 911 O O . PHE A 1 113 ? -28.505 14.796 -3.338 1.00 43.55 ? 114 PHE A O 1 ATOM 912 C CB . PHE A 1 113 ? -29.038 14.921 -6.500 1.00 38.73 ? 114 PHE A CB 1 ATOM 913 C CG . PHE A 1 113 ? -29.168 15.608 -7.829 1.00 39.30 ? 114 PHE A CG 1 ATOM 914 C CD1 . PHE A 1 113 ? -28.183 16.475 -8.276 1.00 43.92 ? 114 PHE A CD1 1 ATOM 915 C CD2 . PHE A 1 113 ? -30.271 15.383 -8.634 1.00 38.13 ? 114 PHE A CD2 1 ATOM 916 C CE1 . PHE A 1 113 ? -28.300 17.109 -9.499 1.00 28.26 ? 114 PHE A CE1 1 ATOM 917 C CE2 . PHE A 1 113 ? -30.393 16.013 -9.858 1.00 34.36 ? 114 PHE A CE2 1 ATOM 918 C CZ . PHE A 1 113 ? -29.406 16.877 -10.290 1.00 26.49 ? 114 PHE A CZ 1 ATOM 919 N N . TYR A 1 114 ? -30.679 14.393 -3.748 1.00 38.48 ? 115 TYR A N 1 ATOM 920 C CA . TYR A 1 114 ? -30.841 13.551 -2.567 1.00 44.25 ? 115 TYR A CA 1 ATOM 921 C C . TYR A 1 114 ? -31.672 12.304 -2.858 1.00 43.44 ? 115 TYR A C 1 ATOM 922 O O . TYR A 1 114 ? -32.461 12.275 -3.803 1.00 45.86 ? 115 TYR A O 1 ATOM 923 C CB . TYR A 1 114 ? -31.480 14.346 -1.421 1.00 30.14 ? 115 TYR A CB 1 ATOM 924 C CG . TYR A 1 114 ? -32.927 14.721 -1.651 1.00 36.59 ? 115 TYR A CG 1 ATOM 925 C CD1 . TYR A 1 114 ? -33.264 15.901 -2.303 1.00 38.53 ? 115 TYR A CD1 1 ATOM 926 C CD2 . TYR A 1 114 ? -33.959 13.899 -1.208 1.00 31.80 ? 115 TYR A CD2 1 ATOM 927 C CE1 . TYR A 1 114 ? -34.587 16.250 -2.509 1.00 42.15 ? 115 TYR A CE1 1 ATOM 928 C CE2 . TYR A 1 114 ? -35.284 14.239 -1.414 1.00 32.29 ? 115 TYR A CE2 1 ATOM 929 C CZ . TYR A 1 114 ? -35.591 15.414 -2.065 1.00 39.16 ? 115 TYR A CZ 1 ATOM 930 O OH . TYR A 1 114 ? -36.908 15.755 -2.269 1.00 44.11 ? 115 TYR A OH 1 ATOM 931 N N . ALA A 1 115 ? -31.486 11.280 -2.030 1.00 38.00 ? 116 ALA A N 1 ATOM 932 C CA . ALA A 1 115 ? -32.237 10.036 -2.143 1.00 37.36 ? 116 ALA A CA 1 ATOM 933 C C . ALA A 1 115 ? -32.229 9.280 -0.817 1.00 43.08 ? 116 ALA A C 1 ATOM 934 O O . ALA A 1 115 ? -31.247 9.326 -0.074 1.00 39.78 ? 116 ALA A O 1 ATOM 935 C CB . ALA A 1 115 ? -31.665 9.166 -3.253 1.00 31.44 ? 116 ALA A CB 1 ATOM 936 N N . ALA A 1 116 ? -33.327 8.591 -0.520 1.00 43.50 ? 117 ALA A N 1 ATOM 937 C CA . ALA A 1 116 ? -33.399 7.746 0.669 1.00 35.51 ? 117 ALA A CA 1 ATOM 938 C C . ALA A 1 116 ? -32.485 6.539 0.504 1.00 35.79 ? 117 ALA A C 1 ATOM 939 O O . ALA A 1 116 ? -32.248 6.074 -0.611 1.00 36.37 ? 117 ALA A O 1 ATOM 940 C CB . ALA A 1 116 ? -34.830 7.302 0.931 1.00 27.29 ? 117 ALA A CB 1 ATOM 941 N N . GLU A 1 117 ? -31.977 6.031 1.619 1.00 48.28 ? 118 GLU A N 1 ATOM 942 C CA . GLU A 1 117 ? -31.007 4.946 1.588 1.00 47.12 ? 118 GLU A CA 1 ATOM 943 C C . GLU A 1 117 ? -31.152 4.070 2.827 1.00 46.81 ? 118 GLU A C 1 ATOM 944 O O . GLU A 1 117 ? -31.434 4.573 3.915 1.00 52.02 ? 118 GLU A O 1 ATOM 945 C CB . GLU A 1 117 ? -29.593 5.518 1.494 1.00 44.87 ? 118 GLU A CB 1 ATOM 946 C CG . GLU A 1 117 ? -28.515 4.520 1.145 1.00 52.59 ? 118 GLU A CG 1 ATOM 947 C CD . GLU A 1 117 ? -27.145 5.164 1.104 1.00 60.67 ? 118 GLU A CD 1 ATOM 948 O OE1 . GLU A 1 117 ? -26.745 5.768 2.122 1.00 63.66 ? 118 GLU A OE1 1 ATOM 949 O OE2 . GLU A 1 117 ? -26.473 5.079 0.054 1.00 63.70 ? 118 GLU A OE2 1 ATOM 950 N N . ASP A 1 118 ? -30.970 2.763 2.665 1.00 35.66 ? 119 ASP A N 1 ATOM 951 C CA . ASP A 1 118 ? -31.082 1.844 3.792 1.00 31.90 ? 119 ASP A CA 1 ATOM 952 C C . ASP A 1 118 ? -29.910 1.997 4.745 1.00 37.54 ? 119 ASP A C 1 ATOM 953 O O . ASP A 1 118 ? -28.752 2.000 4.327 1.00 42.14 ? 119 ASP A O 1 ATOM 954 C CB . ASP A 1 118 ? -31.166 0.392 3.319 1.00 33.67 ? 119 ASP A CB 1 ATOM 955 C CG . ASP A 1 118 ? -31.170 -0.599 4.475 1.00 37.90 ? 119 ASP A CG 1 ATOM 956 O OD1 . ASP A 1 118 ? -31.856 -0.336 5.486 1.00 28.04 ? 119 ASP A OD1 1 ATOM 957 O OD2 . ASP A 1 118 ? -30.484 -1.639 4.377 1.00 43.73 ? 119 ASP A OD2 1 ATOM 958 N N . VAL A 1 119 ? -30.220 2.130 6.029 1.00 31.41 ? 120 VAL A N 1 ATOM 959 C CA . VAL A 1 119 ? -29.192 2.155 7.057 1.00 31.72 ? 120 VAL A CA 1 ATOM 960 C C . VAL A 1 119 ? -28.687 0.739 7.300 1.00 29.03 ? 120 VAL A C 1 ATOM 961 O O . VAL A 1 119 ? -29.472 -0.170 7.569 1.00 43.80 ? 120 VAL A O 1 ATOM 962 C CB . VAL A 1 119 ? -29.717 2.757 8.377 1.00 31.04 ? 120 VAL A CB 1 ATOM 963 C CG1 . VAL A 1 119 ? -28.673 2.629 9.474 1.00 32.86 ? 120 VAL A CG1 1 ATOM 964 C CG2 . VAL A 1 119 ? -30.114 4.212 8.178 1.00 37.13 ? 120 VAL A CG2 1 ATOM 965 N N . ASP A 1 120 ? -27.378 0.549 7.182 1.00 29.92 ? 121 ASP A N 1 ATOM 966 C CA . ASP A 1 120 ? -26.773 -0.745 7.468 1.00 37.03 ? 121 ASP A CA 1 ATOM 967 C C . ASP A 1 120 ? -26.338 -0.777 8.925 1.00 42.05 ? 121 ASP A C 1 ATOM 968 O O . ASP A 1 120 ? -25.212 -0.401 9.252 1.00 40.65 ? 121 ASP A O 1 ATOM 969 C CB . ASP A 1 120 ? -25.580 -1.010 6.546 1.00 34.65 ? 121 ASP A CB 1 ATOM 970 C CG . ASP A 1 120 ? -25.141 -2.464 6.556 1.00 42.82 ? 121 ASP A CG 1 ATOM 971 O OD1 . ASP A 1 120 ? -25.497 -3.199 7.501 1.00 37.48 ? 121 ASP A OD1 1 ATOM 972 O OD2 . ASP A 1 120 ? -24.435 -2.876 5.612 1.00 57.23 ? 121 ASP A OD2 1 ATOM 973 N N . GLU A 1 121 ? -27.234 -1.230 9.797 1.00 40.75 ? 122 GLU A N 1 ATOM 974 C CA . GLU A 1 121 ? -26.961 -1.255 11.230 1.00 43.00 ? 122 GLU A CA 1 ATOM 975 C C . GLU A 1 121 ? -25.841 -2.231 11.582 1.00 43.71 ? 122 GLU A C 1 ATOM 976 O O . GLU A 1 121 ? -25.283 -2.176 12.677 1.00 50.34 ? 122 GLU A O 1 ATOM 977 C CB . GLU A 1 121 ? -28.229 -1.612 12.012 1.00 41.45 ? 122 GLU A CB 1 ATOM 978 C CG . GLU A 1 121 ? -29.346 -0.578 11.916 1.00 43.68 ? 122 GLU A CG 1 ATOM 979 C CD . GLU A 1 121 ? -30.297 -0.832 10.758 1.00 43.12 ? 122 GLU A CD 1 ATOM 980 O OE1 . GLU A 1 121 ? -30.015 -1.725 9.933 1.00 37.62 ? 122 GLU A OE1 1 ATOM 981 O OE2 . GLU A 1 121 ? -31.333 -0.139 10.679 1.00 38.44 ? 122 GLU A OE2 1 ATOM 982 N N . CYS A 1 122 ? -25.511 -3.117 10.648 1.00 38.98 ? 123 CYS A N 1 ATOM 983 C CA . CYS A 1 122 ? -24.495 -4.136 10.881 1.00 40.84 ? 123 CYS A CA 1 ATOM 984 C C . CYS A 1 122 ? -23.083 -3.625 10.607 1.00 52.16 ? 123 CYS A C 1 ATOM 985 O O . CYS A 1 122 ? -22.106 -4.204 11.079 1.00 65.56 ? 123 CYS A O 1 ATOM 986 C CB . CYS A 1 122 ? -24.777 -5.368 10.021 1.00 31.96 ? 123 CYS A CB 1 ATOM 987 S SG . CYS A 1 122 ? -26.369 -6.151 10.361 1.00 72.89 ? 123 CYS A SG 1 ATOM 988 N N . ARG A 1 123 ? -22.978 -2.540 9.846 1.00 61.76 ? 124 ARG A N 1 ATOM 989 C CA . ARG A 1 123 ? -21.677 -1.969 9.517 1.00 75.92 ? 124 ARG A CA 1 ATOM 990 C C . ARG A 1 123 ? -21.485 -0.597 10.153 1.00 88.46 ? 124 ARG A C 1 ATOM 991 O O . ARG A 1 123 ? -20.369 -0.080 10.204 1.00 99.30 ? 124 ARG A O 1 ATOM 992 C CB . ARG A 1 123 ? -21.501 -1.865 8.000 1.00 82.76 ? 124 ARG A CB 1 ATOM 993 C CG . ARG A 1 123 ? -21.472 -3.202 7.276 1.00 96.35 ? 124 ARG A CG 1 ATOM 994 C CD . ARG A 1 123 ? -21.236 -3.009 5.785 1.00 105.41 ? 124 ARG A CD 1 ATOM 995 N NE . ARG A 1 123 ? -21.319 -4.266 5.046 1.00 113.83 ? 124 ARG A NE 1 ATOM 996 C CZ . ARG A 1 123 ? -21.257 -4.358 3.721 1.00 120.27 ? 124 ARG A CZ 1 ATOM 997 N NH1 . ARG A 1 123 ? -21.114 -3.264 2.984 1.00 123.22 ? 124 ARG A NH1 1 ATOM 998 N NH2 . ARG A 1 123 ? -21.342 -5.543 3.132 1.00 120.55 ? 124 ARG A NH2 1 ATOM 999 N N . THR A 1 124 ? -22.577 -0.010 10.635 1.00 88.06 ? 125 THR A N 1 ATOM 1000 C CA . THR A 1 124 ? -22.527 1.307 11.263 1.00 91.66 ? 125 THR A CA 1 ATOM 1001 C C . THR A 1 124 ? -21.779 1.231 12.593 1.00 99.02 ? 125 THR A C 1 ATOM 1002 O O . THR A 1 124 ? -21.689 0.161 13.198 1.00 100.56 ? 125 THR A O 1 ATOM 1003 C CB . THR A 1 124 ? -23.945 1.877 11.492 1.00 84.62 ? 125 THR A CB 1 ATOM 1004 O OG1 . THR A 1 124 ? -24.788 1.529 10.388 1.00 75.89 ? 125 THR A OG1 1 ATOM 1005 C CG2 . THR A 1 124 ? -23.907 3.395 11.632 1.00 82.10 ? 125 THR A CG2 1 ATOM 1006 N N . SER A 1 125 ? -21.240 2.368 13.030 1.00 105.13 ? 126 SER A N 1 ATOM 1007 C CA . SER A 1 125 ? -20.468 2.466 14.268 1.00 113.84 ? 126 SER A CA 1 ATOM 1008 C C . SER A 1 125 ? -19.240 1.560 14.233 1.00 117.57 ? 126 SER A C 1 ATOM 1009 O O . SER A 1 125 ? -18.182 1.953 13.740 1.00 117.05 ? 126 SER A O 1 ATOM 1010 C CB . SER A 1 125 ? -21.338 2.127 15.484 1.00 110.24 ? 126 SER A CB 1 ATOM 1011 O OG . SER A 1 125 ? -22.488 2.953 15.537 1.00 108.97 ? 126 SER A OG 1 ATOM 1012 N N . ASP A 1 128 ? -17.315 -0.578 15.759 1.00 105.91 ? 129 ASP A N 1 ATOM 1013 C CA . ASP A 1 128 ? -16.722 -1.367 16.832 1.00 115.54 ? 129 ASP A CA 1 ATOM 1014 C C . ASP A 1 128 ? -17.679 -1.522 18.011 1.00 118.62 ? 129 ASP A C 1 ATOM 1015 O O . ASP A 1 128 ? -17.306 -2.041 19.064 1.00 116.32 ? 129 ASP A O 1 ATOM 1016 C CB . ASP A 1 128 ? -15.408 -0.736 17.297 1.00 117.68 ? 129 ASP A CB 1 ATOM 1017 C CG . ASP A 1 128 ? -14.253 -1.045 16.364 1.00 118.09 ? 129 ASP A CG 1 ATOM 1018 O OD1 . ASP A 1 128 ? -14.512 -1.464 15.215 1.00 114.07 ? 129 ASP A OD1 1 ATOM 1019 O OD2 . ASP A 1 128 ? -13.088 -0.872 16.778 1.00 122.83 ? 129 ASP A OD2 1 ATOM 1020 N N . SER A 1 129 ? -18.913 -1.066 17.825 1.00 115.39 ? 130 SER A N 1 ATOM 1021 C CA . SER A 1 129 ? -19.960 -1.249 18.823 1.00 113.16 ? 130 SER A CA 1 ATOM 1022 C C . SER A 1 129 ? -21.104 -2.059 18.223 1.00 112.23 ? 130 SER A C 1 ATOM 1023 O O . SER A 1 129 ? -22.218 -1.557 18.064 1.00 110.66 ? 130 SER A O 1 ATOM 1024 C CB . SER A 1 129 ? -20.466 0.101 19.335 1.00 108.23 ? 130 SER A CB 1 ATOM 1025 O OG . SER A 1 129 ? -21.443 -0.071 20.347 1.00 101.14 ? 130 SER A OG 1 ATOM 1026 N N . VAL A 1 130 ? -20.812 -3.313 17.890 1.00 112.26 ? 131 VAL A N 1 ATOM 1027 C CA . VAL A 1 130 ? -21.760 -4.194 17.212 1.00 109.50 ? 131 VAL A CA 1 ATOM 1028 C C . VAL A 1 130 ? -23.025 -4.423 18.037 1.00 103.12 ? 131 VAL A C 1 ATOM 1029 O O . VAL A 1 130 ? -22.947 -4.780 19.213 1.00 107.33 ? 131 VAL A O 1 ATOM 1030 C CB . VAL A 1 130 ? -21.118 -5.562 16.894 1.00 111.46 ? 131 VAL A CB 1 ATOM 1031 C CG1 . VAL A 1 130 ? -21.939 -6.311 15.852 1.00 106.47 ? 131 VAL A CG1 1 ATOM 1032 C CG2 . VAL A 1 130 ? -19.688 -5.376 16.412 1.00 111.29 ? 131 VAL A CG2 1 ATOM 1033 N N . PRO A 1 131 ? -24.198 -4.215 17.419 1.00 88.34 ? 132 PRO A N 1 ATOM 1034 C CA . PRO A 1 131 ? -25.476 -4.426 18.105 1.00 77.12 ? 132 PRO A CA 1 ATOM 1035 C C . PRO A 1 131 ? -25.771 -5.903 18.345 1.00 64.79 ? 132 PRO A C 1 ATOM 1036 O O . PRO A 1 131 ? -26.562 -6.236 19.226 1.00 71.16 ? 132 PRO A O 1 ATOM 1037 C CB . PRO A 1 131 ? -26.496 -3.819 17.137 1.00 73.70 ? 132 PRO A CB 1 ATOM 1038 C CG . PRO A 1 131 ? -25.852 -3.940 15.799 1.00 66.56 ? 132 PRO A CG 1 ATOM 1039 C CD . PRO A 1 131 ? -24.385 -3.726 16.041 1.00 75.71 ? 132 PRO A CD 1 ATOM 1040 N N . CYS A 1 132 ? -25.140 -6.777 17.569 1.00 47.43 ? 133 CYS A N 1 ATOM 1041 C CA . CYS A 1 132 ? -25.391 -8.207 17.685 1.00 41.21 ? 133 CYS A CA 1 ATOM 1042 C C . CYS A 1 132 ? -24.226 -8.932 18.340 1.00 45.71 ? 133 CYS A C 1 ATOM 1043 O O . CYS A 1 132 ? -23.062 -8.604 18.111 1.00 44.90 ? 133 CYS A O 1 ATOM 1044 C CB . CYS A 1 132 ? -25.682 -8.809 16.311 1.00 35.49 ? 133 CYS A CB 1 ATOM 1045 S SG . CYS A 1 132 ? -27.169 -8.145 15.537 1.00 53.30 ? 133 CYS A SG 1 ATOM 1046 N N . ASP A 1 133 ? -24.554 -9.926 19.157 1.00 44.25 ? 134 ASP A N 1 ATOM 1047 C CA . ASP A 1 133 ? -23.551 -10.675 19.899 1.00 44.62 ? 134 ASP A CA 1 ATOM 1048 C C . ASP A 1 133 ? -22.744 -11.597 18.986 1.00 44.11 ? 134 ASP A C 1 ATOM 1049 O O . ASP A 1 133 ? -21.527 -11.713 19.129 1.00 46.44 ? 134 ASP A O 1 ATOM 1050 C CB . ASP A 1 133 ? -24.219 -11.482 21.013 1.00 52.00 ? 134 ASP A CB 1 ATOM 1051 C CG . ASP A 1 133 ? -23.231 -11.977 22.044 1.00 67.61 ? 134 ASP A CG 1 ATOM 1052 O OD1 . ASP A 1 133 ? -22.140 -11.380 22.154 1.00 82.56 ? 134 ASP A OD1 1 ATOM 1053 O OD2 . ASP A 1 133 ? -23.548 -12.958 22.749 1.00 67.18 ? 134 ASP A OD2 1 ATOM 1054 N N . HIS A 1 134 ? -23.424 -12.246 18.045 1.00 41.77 ? 135 HIS A N 1 ATOM 1055 C CA . HIS A 1 134 ? -22.767 -13.180 17.134 1.00 35.56 ? 135 HIS A CA 1 ATOM 1056 C C . HIS A 1 134 ? -22.912 -12.772 15.671 1.00 41.52 ? 135 HIS A C 1 ATOM 1057 O O . HIS A 1 134 ? -21.972 -12.244 15.077 1.00 49.44 ? 135 HIS A O 1 ATOM 1058 C CB . HIS A 1 134 ? -23.315 -14.592 17.334 1.00 35.28 ? 135 HIS A CB 1 ATOM 1059 C CG . HIS A 1 134 ? -22.817 -15.259 18.578 1.00 35.41 ? 135 HIS A CG 1 ATOM 1060 N ND1 . HIS A 1 134 ? -23.146 -16.555 18.910 1.00 34.78 ? 135 HIS A ND1 1 ATOM 1061 C CD2 . HIS A 1 134 ? -22.010 -14.810 19.568 1.00 37.33 ? 135 HIS A CD2 1 ATOM 1062 C CE1 . HIS A 1 134 ? -22.565 -16.875 20.053 1.00 41.18 ? 135 HIS A CE1 1 ATOM 1063 N NE2 . HIS A 1 134 ? -21.871 -15.833 20.474 1.00 37.64 ? 135 HIS A NE2 1 ATOM 1064 N N . TYR A 1 135 ? -24.082 -13.025 15.090 1.00 44.12 ? 136 TYR A N 1 ATOM 1065 C CA . TYR A 1 135 ? -24.323 -12.678 13.691 1.00 36.31 ? 136 TYR A CA 1 ATOM 1066 C C . TYR A 1 135 ? -25.288 -11.506 13.549 1.00 34.28 ? 136 TYR A C 1 ATOM 1067 O O . TYR A 1 135 ? -26.362 -11.496 14.156 1.00 35.68 ? 136 TYR A O 1 ATOM 1068 C CB . TYR A 1 135 ? -24.877 -13.875 12.913 1.00 36.20 ? 136 TYR A CB 1 ATOM 1069 C CG . TYR A 1 135 ? -23.997 -15.102 12.906 1.00 33.54 ? 136 TYR A CG 1 ATOM 1070 C CD1 . TYR A 1 135 ? -22.743 -15.082 12.310 1.00 35.71 ? 136 TYR A CD1 1 ATOM 1071 C CD2 . TYR A 1 135 ? -24.435 -16.292 13.470 1.00 40.58 ? 136 TYR A CD2 1 ATOM 1072 C CE1 . TYR A 1 135 ? -21.942 -16.210 12.295 1.00 37.71 ? 136 TYR A CE1 1 ATOM 1073 C CE2 . TYR A 1 135 ? -23.642 -17.423 13.461 1.00 42.56 ? 136 TYR A CE2 1 ATOM 1074 C CZ . TYR A 1 135 ? -22.398 -17.377 12.873 1.00 43.75 ? 136 TYR A CZ 1 ATOM 1075 O OH . TYR A 1 135 ? -21.613 -18.506 12.866 1.00 42.78 ? 136 TYR A OH 1 ATOM 1076 N N . CYS A 1 136 ? -24.903 -10.530 12.732 1.00 33.90 ? 137 CYS A N 1 ATOM 1077 C CA . CYS A 1 136 ? -25.772 -9.403 12.411 1.00 39.27 ? 137 CYS A CA 1 ATOM 1078 C C . CYS A 1 136 ? -26.299 -9.525 10.982 1.00 36.47 ? 137 CYS A C 1 ATOM 1079 O O . CYS A 1 136 ? -25.539 -9.801 10.053 1.00 30.61 ? 137 CYS A O 1 ATOM 1080 C CB . CYS A 1 136 ? -25.029 -8.078 12.593 1.00 47.18 ? 137 CYS A CB 1 ATOM 1081 S SG . CYS A 1 136 ? -26.044 -6.605 12.315 1.00 63.12 ? 137 CYS A SG 1 ATOM 1082 N N . HIS A 1 137 ? -27.602 -9.318 10.813 1.00 32.94 ? 138 HIS A N 1 ATOM 1083 C CA . HIS A 1 137 ? -28.238 -9.442 9.505 1.00 30.24 ? 138 HIS A CA 1 ATOM 1084 C C . HIS A 1 137 ? -29.011 -8.182 9.139 1.00 33.45 ? 138 HIS A C 1 ATOM 1085 O O . HIS A 1 137 ? -29.984 -7.820 9.803 1.00 34.48 ? 138 HIS A O 1 ATOM 1086 C CB . HIS A 1 137 ? -29.171 -10.651 9.477 1.00 35.28 ? 138 HIS A CB 1 ATOM 1087 C CG . HIS A 1 137 ? -28.534 -11.912 9.969 1.00 36.28 ? 138 HIS A CG 1 ATOM 1088 N ND1 . HIS A 1 137 ? -27.661 -12.653 9.202 1.00 29.93 ? 138 HIS A ND1 1 ATOM 1089 C CD2 . HIS A 1 137 ? -28.640 -12.560 11.153 1.00 33.33 ? 138 HIS A CD2 1 ATOM 1090 C CE1 . HIS A 1 137 ? -27.257 -13.705 9.893 1.00 44.92 ? 138 HIS A CE1 1 ATOM 1091 N NE2 . HIS A 1 137 ? -27.837 -13.672 11.079 1.00 29.64 ? 138 HIS A NE2 1 ATOM 1092 N N . ASN A 1 138 ? -28.572 -7.524 8.073 1.00 37.19 ? 139 ASN A N 1 ATOM 1093 C CA . ASN A 1 138 ? -29.169 -6.271 7.638 1.00 33.25 ? 139 ASN A CA 1 ATOM 1094 C C . ASN A 1 138 ? -30.226 -6.476 6.560 1.00 33.79 ? 139 ASN A C 1 ATOM 1095 O O . ASN A 1 138 ? -30.106 -7.373 5.729 1.00 32.97 ? 139 ASN A O 1 ATOM 1096 C CB . ASN A 1 138 ? -28.082 -5.330 7.119 1.00 27.65 ? 139 ASN A CB 1 ATOM 1097 C CG . ASN A 1 138 ? -28.639 -4.009 6.641 1.00 44.77 ? 139 ASN A CG 1 ATOM 1098 O OD1 . ASN A 1 138 ? -29.412 -3.360 7.344 1.00 44.22 ? 139 ASN A OD1 1 ATOM 1099 N ND2 . ASN A 1 138 ? -28.264 -3.610 5.433 1.00 37.21 ? 139 ASN A ND2 1 ATOM 1100 N N . TYR A 1 139 ? -31.263 -5.646 6.576 1.00 32.41 ? 140 TYR A N 1 ATOM 1101 C CA . TYR A 1 139 ? -32.241 -5.650 5.495 1.00 28.10 ? 140 TYR A CA 1 ATOM 1102 C C . TYR A 1 139 ? -32.852 -4.264 5.322 1.00 27.97 ? 140 TYR A C 1 ATOM 1103 O O . TYR A 1 139 ? -32.661 -3.380 6.158 1.00 30.87 ? 140 TYR A O 1 ATOM 1104 C CB . TYR A 1 139 ? -33.330 -6.702 5.742 1.00 31.77 ? 140 TYR A CB 1 ATOM 1105 C CG . TYR A 1 139 ? -34.207 -6.448 6.949 1.00 32.08 ? 140 TYR A CG 1 ATOM 1106 C CD1 . TYR A 1 139 ? -35.312 -5.612 6.863 1.00 36.37 ? 140 TYR A CD1 1 ATOM 1107 C CD2 . TYR A 1 139 ? -33.945 -7.062 8.168 1.00 28.40 ? 140 TYR A CD2 1 ATOM 1108 C CE1 . TYR A 1 139 ? -36.120 -5.378 7.954 1.00 33.28 ? 140 TYR A CE1 1 ATOM 1109 C CE2 . TYR A 1 139 ? -34.753 -6.836 9.269 1.00 28.49 ? 140 TYR A CE2 1 ATOM 1110 C CZ . TYR A 1 139 ? -35.838 -5.991 9.154 1.00 37.29 ? 140 TYR A CZ 1 ATOM 1111 O OH . TYR A 1 139 ? -36.652 -5.755 10.239 1.00 39.57 ? 140 TYR A OH 1 ATOM 1112 N N . LEU A 1 140 ? -33.586 -4.082 4.230 1.00 30.32 ? 141 LEU A N 1 ATOM 1113 C CA . LEU A 1 140 ? -34.152 -2.781 3.896 1.00 34.58 ? 141 LEU A CA 1 ATOM 1114 C C . LEU A 1 140 ? -35.064 -2.251 4.992 1.00 32.80 ? 141 LEU A C 1 ATOM 1115 O O . LEU A 1 140 ? -36.187 -2.723 5.166 1.00 36.26 ? 141 LEU A O 1 ATOM 1116 C CB . LEU A 1 140 ? -34.920 -2.858 2.579 1.00 42.78 ? 141 LEU A CB 1 ATOM 1117 C CG . LEU A 1 140 ? -34.069 -3.168 1.350 1.00 39.63 ? 141 LEU A CG 1 ATOM 1118 C CD1 . LEU A 1 140 ? -34.960 -3.377 0.144 1.00 45.40 ? 141 LEU A CD1 1 ATOM 1119 C CD2 . LEU A 1 140 ? -33.075 -2.046 1.104 1.00 38.88 ? 141 LEU A CD2 1 ATOM 1120 N N . GLY A 1 141 ? -34.565 -1.268 5.732 1.00 28.97 ? 142 GLY A N 1 ATOM 1121 C CA . GLY A 1 141 ? -35.352 -0.619 6.760 1.00 29.23 ? 142 GLY A CA 1 ATOM 1122 C C . GLY A 1 141 ? -35.262 -1.297 8.111 1.00 34.59 ? 142 GLY A C 1 ATOM 1123 O O . GLY A 1 141 ? -36.070 -1.025 8.998 1.00 33.31 ? 142 GLY A O 1 ATOM 1124 N N . GLY A 1 142 ? -34.282 -2.179 8.280 1.00 30.66 ? 143 GLY A N 1 ATOM 1125 C CA . GLY A 1 142 ? -34.125 -2.853 9.553 1.00 30.08 ? 143 GLY A CA 1 ATOM 1126 C C . GLY A 1 142 ? -32.959 -3.814 9.640 1.00 37.35 ? 143 GLY A C 1 ATOM 1127 O O . GLY A 1 142 ? -32.120 -3.889 8.742 1.00 41.94 ? 143 GLY A O 1 ATOM 1128 N N . TYR A 1 143 ? -32.912 -4.549 10.744 1.00 33.24 ? 144 TYR A N 1 ATOM 1129 C CA . TYR A 1 143 ? -31.885 -5.557 10.964 1.00 31.08 ? 144 TYR A CA 1 ATOM 1130 C C . TYR A 1 143 ? -32.309 -6.483 12.091 1.00 28.48 ? 144 TYR A C 1 ATOM 1131 O O . TYR A 1 143 ? -33.214 -6.163 12.859 1.00 48.32 ? 144 TYR A O 1 ATOM 1132 C CB . TYR A 1 143 ? -30.542 -4.908 11.299 1.00 34.70 ? 144 TYR A CB 1 ATOM 1133 C CG . TYR A 1 143 ? -30.441 -4.434 12.729 1.00 34.42 ? 144 TYR A CG 1 ATOM 1134 C CD1 . TYR A 1 143 ? -31.134 -3.311 13.157 1.00 31.68 ? 144 TYR A CD1 1 ATOM 1135 C CD2 . TYR A 1 143 ? -29.651 -5.109 13.651 1.00 40.32 ? 144 TYR A CD2 1 ATOM 1136 C CE1 . TYR A 1 143 ? -31.046 -2.872 14.460 1.00 32.95 ? 144 TYR A CE1 1 ATOM 1137 C CE2 . TYR A 1 143 ? -29.557 -4.677 14.961 1.00 41.31 ? 144 TYR A CE2 1 ATOM 1138 C CZ . TYR A 1 143 ? -30.257 -3.557 15.359 1.00 41.57 ? 144 TYR A CZ 1 ATOM 1139 O OH . TYR A 1 143 ? -30.169 -3.117 16.659 1.00 35.93 ? 144 TYR A OH 1 ATOM 1140 N N . TYR A 1 144 ? -31.655 -7.633 12.187 1.00 38.08 ? 145 TYR A N 1 ATOM 1141 C CA . TYR A 1 144 ? -31.895 -8.542 13.301 1.00 39.60 ? 145 TYR A CA 1 ATOM 1142 C C . TYR A 1 144 ? -30.643 -9.352 13.593 1.00 37.53 ? 145 TYR A C 1 ATOM 1143 O O . TYR A 1 144 ? -29.708 -9.374 12.795 1.00 46.68 ? 145 TYR A O 1 ATOM 1144 C CB . TYR A 1 144 ? -33.083 -9.467 13.012 1.00 28.77 ? 145 TYR A CB 1 ATOM 1145 C CG . TYR A 1 144 ? -32.903 -10.370 11.812 1.00 30.68 ? 145 TYR A CG 1 ATOM 1146 C CD1 . TYR A 1 144 ? -33.136 -9.902 10.524 1.00 28.13 ? 145 TYR A CD1 1 ATOM 1147 C CD2 . TYR A 1 144 ? -32.516 -11.695 11.966 1.00 28.41 ? 145 TYR A CD2 1 ATOM 1148 C CE1 . TYR A 1 144 ? -32.977 -10.722 9.423 1.00 36.52 ? 145 TYR A CE1 1 ATOM 1149 C CE2 . TYR A 1 144 ? -32.356 -12.526 10.870 1.00 35.16 ? 145 TYR A CE2 1 ATOM 1150 C CZ . TYR A 1 144 ? -32.589 -12.033 9.600 1.00 38.50 ? 145 TYR A CZ 1 ATOM 1151 O OH . TYR A 1 144 ? -32.432 -12.847 8.500 1.00 36.23 ? 145 TYR A OH 1 ATOM 1152 N N . CYS A 1 145 ? -30.625 -10.013 14.743 1.00 38.56 ? 146 CYS A N 1 ATOM 1153 C CA . CYS A 1 145 ? -29.464 -10.786 15.155 1.00 34.22 ? 146 CYS A CA 1 ATOM 1154 C C . CYS A 1 145 ? -29.750 -12.280 15.137 1.00 36.72 ? 146 CYS A C 1 ATOM 1155 O O . CYS A 1 145 ? -30.886 -12.709 15.336 1.00 37.45 ? 146 CYS A O 1 ATOM 1156 C CB . CYS A 1 145 ? -29.016 -10.367 16.557 1.00 30.12 ? 146 CYS A CB 1 ATOM 1157 S SG . CYS A 1 145 ? -28.729 -8.597 16.756 1.00 45.90 ? 146 CYS A SG 1 ATOM 1158 N N . SER A 1 146 ? -28.713 -13.070 14.890 1.00 33.20 ? 147 SER A N 1 ATOM 1159 C CA . SER A 1 146 ? -28.801 -14.505 15.115 1.00 37.03 ? 147 SER A CA 1 ATOM 1160 C C . SER A 1 146 ? -27.550 -14.964 15.853 1.00 32.09 ? 147 SER A C 1 ATOM 1161 O O . SER A 1 146 ? -26.593 -14.201 16.010 1.00 30.33 ? 147 SER A O 1 ATOM 1162 C CB . SER A 1 146 ? -28.973 -15.270 13.800 1.00 29.22 ? 147 SER A CB 1 ATOM 1163 O OG . SER A 1 146 ? -27.781 -15.255 13.037 1.00 41.76 ? 147 SER A OG 1 ATOM 1164 N N . CYS A 1 147 ? -27.563 -16.208 16.311 1.00 29.93 ? 148 CYS A N 1 ATOM 1165 C CA . CYS A 1 147 ? -26.439 -16.748 17.060 1.00 36.39 ? 148 CYS A CA 1 ATOM 1166 C C . CYS A 1 147 ? -25.987 -18.069 16.450 1.00 42.20 ? 148 CYS A C 1 ATOM 1167 O O . CYS A 1 147 ? -26.730 -18.697 15.693 1.00 44.44 ? 148 CYS A O 1 ATOM 1168 C CB . CYS A 1 147 ? -26.817 -16.921 18.535 1.00 34.25 ? 148 CYS A CB 1 ATOM 1169 S SG . CYS A 1 147 ? -27.292 -15.369 19.355 1.00 47.79 ? 148 CYS A SG 1 ATOM 1170 N N . ARG A 1 148 ? -24.765 -18.486 16.770 1.00 43.14 ? 149 ARG A N 1 ATOM 1171 C CA . ARG A 1 148 ? -24.206 -19.695 16.177 1.00 40.58 ? 149 ARG A CA 1 ATOM 1172 C C . ARG A 1 148 ? -24.691 -20.954 16.888 1.00 40.82 ? 149 ARG A C 1 ATOM 1173 O O . ARG A 1 148 ? -25.488 -20.885 17.824 1.00 37.21 ? 149 ARG A O 1 ATOM 1174 C CB . ARG A 1 148 ? -22.676 -19.640 16.176 1.00 37.99 ? 149 ARG A CB 1 ATOM 1175 C CG . ARG A 1 148 ? -22.032 -19.478 17.539 1.00 52.26 ? 149 ARG A CG 1 ATOM 1176 C CD . ARG A 1 148 ? -20.516 -19.572 17.425 1.00 59.58 ? 149 ARG A CD 1 ATOM 1177 N NE . ARG A 1 148 ? -19.851 -19.487 18.722 1.00 71.09 ? 149 ARG A NE 1 ATOM 1178 C CZ . ARG A 1 148 ? -19.296 -18.380 19.207 1.00 77.67 ? 149 ARG A CZ 1 ATOM 1179 N NH1 . ARG A 1 148 ? -19.322 -17.258 18.500 1.00 71.06 ? 149 ARG A NH1 1 ATOM 1180 N NH2 . ARG A 1 148 ? -18.713 -18.397 20.398 1.00 78.98 ? 149 ARG A NH2 1 ATOM 1181 N N . VAL A 1 149 ? -24.208 -22.102 16.426 1.00 49.21 ? 150 VAL A N 1 ATOM 1182 C CA . VAL A 1 149 ? -24.653 -23.397 16.930 1.00 46.79 ? 150 VAL A CA 1 ATOM 1183 C C . VAL A 1 149 ? -24.288 -23.587 18.403 1.00 47.80 ? 150 VAL A C 1 ATOM 1184 O O . VAL A 1 149 ? -23.210 -23.188 18.843 1.00 48.70 ? 150 VAL A O 1 ATOM 1185 C CB . VAL A 1 149 ? -24.052 -24.543 16.093 1.00 41.26 ? 150 VAL A CB 1 ATOM 1186 C CG1 . VAL A 1 149 ? -24.698 -25.871 16.452 1.00 38.72 ? 150 VAL A CG1 1 ATOM 1187 C CG2 . VAL A 1 149 ? -24.228 -24.252 14.614 1.00 39.30 ? 150 VAL A CG2 1 ATOM 1188 N N . GLY A 1 150 ? -25.199 -24.193 19.160 1.00 48.71 ? 151 GLY A N 1 ATOM 1189 C CA . GLY A 1 150 ? -24.999 -24.399 20.583 1.00 55.89 ? 151 GLY A CA 1 ATOM 1190 C C . GLY A 1 150 ? -25.442 -23.179 21.365 1.00 56.60 ? 151 GLY A C 1 ATOM 1191 O O . GLY A 1 150 ? -25.174 -23.049 22.560 1.00 50.38 ? 151 GLY A O 1 ATOM 1192 N N . TYR A 1 151 ? -26.132 -22.281 20.674 1.00 53.60 ? 152 TYR A N 1 ATOM 1193 C CA . TYR A 1 151 ? -26.561 -21.021 21.256 1.00 45.64 ? 152 TYR A CA 1 ATOM 1194 C C . TYR A 1 151 ? -27.961 -20.646 20.774 1.00 47.24 ? 152 TYR A C 1 ATOM 1195 O O . TYR A 1 151 ? -28.436 -21.165 19.765 1.00 54.49 ? 152 TYR A O 1 ATOM 1196 C CB . TYR A 1 151 ? -25.576 -19.913 20.895 1.00 35.21 ? 152 TYR A CB 1 ATOM 1197 C CG . TYR A 1 151 ? -24.282 -19.902 21.675 1.00 43.92 ? 152 TYR A CG 1 ATOM 1198 C CD1 . TYR A 1 151 ? -23.205 -20.684 21.284 1.00 46.19 ? 152 TYR A CD1 1 ATOM 1199 C CD2 . TYR A 1 151 ? -24.128 -19.082 22.784 1.00 46.38 ? 152 TYR A CD2 1 ATOM 1200 C CE1 . TYR A 1 151 ? -22.017 -20.667 21.989 1.00 47.68 ? 152 TYR A CE1 1 ATOM 1201 C CE2 . TYR A 1 151 ? -22.944 -19.057 23.494 1.00 51.94 ? 152 TYR A CE2 1 ATOM 1202 C CZ . TYR A 1 151 ? -21.892 -19.851 23.092 1.00 53.80 ? 152 TYR A CZ 1 ATOM 1203 O OH . TYR A 1 151 ? -20.711 -19.829 23.797 1.00 63.75 ? 152 TYR A OH 1 ATOM 1204 N N . ILE A 1 152 ? -28.614 -19.744 21.500 1.00 42.04 ? 153 ILE A N 1 ATOM 1205 C CA . ILE A 1 152 ? -29.921 -19.226 21.101 1.00 46.52 ? 153 ILE A CA 1 ATOM 1206 C C . ILE A 1 152 ? -30.008 -17.728 21.347 1.00 48.88 ? 153 ILE A C 1 ATOM 1207 O O . ILE A 1 152 ? -29.371 -17.204 22.259 1.00 49.69 ? 153 ILE A O 1 ATOM 1208 C CB . ILE A 1 152 ? -31.073 -19.912 21.856 1.00 57.05 ? 153 ILE A CB 1 ATOM 1209 C CG1 . ILE A 1 152 ? -30.789 -19.922 23.360 1.00 58.56 ? 153 ILE A CG1 1 ATOM 1210 C CG2 . ILE A 1 152 ? -31.300 -21.320 21.329 1.00 60.01 ? 153 ILE A CG2 1 ATOM 1211 C CD1 . ILE A 1 152 ? -31.976 -20.329 24.202 1.00 64.34 ? 153 ILE A CD1 1 ATOM 1212 N N . LEU A 1 153 ? -30.805 -17.041 20.537 1.00 45.87 ? 154 LEU A N 1 ATOM 1213 C CA . LEU A 1 153 ? -30.980 -15.603 20.689 1.00 40.94 ? 154 LEU A CA 1 ATOM 1214 C C . LEU A 1 153 ? -31.775 -15.290 21.951 1.00 42.83 ? 154 LEU A C 1 ATOM 1215 O O . LEU A 1 153 ? -32.865 -15.821 22.158 1.00 52.75 ? 154 LEU A O 1 ATOM 1216 C CB . LEU A 1 153 ? -31.674 -15.011 19.463 1.00 41.30 ? 154 LEU A CB 1 ATOM 1217 C CG . LEU A 1 153 ? -31.794 -13.486 19.432 1.00 42.82 ? 154 LEU A CG 1 ATOM 1218 C CD1 . LEU A 1 153 ? -30.418 -12.838 19.460 1.00 41.21 ? 154 LEU A CD1 1 ATOM 1219 C CD2 . LEU A 1 153 ? -32.582 -13.031 18.214 1.00 39.33 ? 154 LEU A CD2 1 ATOM 1220 N N . HIS A 1 154 ? -31.215 -14.427 22.792 1.00 43.96 ? 155 HIS A N 1 ATOM 1221 C CA . HIS A 1 154 ? -31.855 -14.024 24.039 1.00 44.51 ? 155 HIS A CA 1 ATOM 1222 C C . HIS A 1 154 ? -33.114 -13.198 23.769 1.00 47.13 ? 155 HIS A C 1 ATOM 1223 O O . HIS A 1 154 ? -33.338 -12.738 22.648 1.00 44.09 ? 155 HIS A O 1 ATOM 1224 C CB . HIS A 1 154 ? -30.865 -13.233 24.903 1.00 37.44 ? 155 HIS A CB 1 ATOM 1225 C CG . HIS A 1 154 ? -31.360 -12.931 26.284 1.00 49.55 ? 155 HIS A CG 1 ATOM 1226 N ND1 . HIS A 1 154 ? -31.950 -11.730 26.617 1.00 45.86 ? 155 HIS A ND1 1 ATOM 1227 C CD2 . HIS A 1 154 ? -31.342 -13.668 27.420 1.00 50.61 ? 155 HIS A CD2 1 ATOM 1228 C CE1 . HIS A 1 154 ? -32.281 -11.744 27.896 1.00 45.34 ? 155 HIS A CE1 1 ATOM 1229 N NE2 . HIS A 1 154 ? -31.922 -12.909 28.406 1.00 50.91 ? 155 HIS A NE2 1 ATOM 1230 N N . GLN A 1 155 ? -33.930 -13.024 24.804 1.00 51.53 ? 156 GLN A N 1 ATOM 1231 C CA . GLN A 1 155 ? -35.146 -12.220 24.731 1.00 48.80 ? 156 GLN A CA 1 ATOM 1232 C C . GLN A 1 155 ? -34.877 -10.792 24.254 1.00 52.12 ? 156 GLN A C 1 ATOM 1233 O O . GLN A 1 155 ? -35.724 -10.180 23.601 1.00 42.61 ? 156 GLN A O 1 ATOM 1234 C CB . GLN A 1 155 ? -35.835 -12.198 26.102 1.00 51.94 ? 156 GLN A CB 1 ATOM 1235 C CG . GLN A 1 155 ? -37.003 -11.231 26.224 1.00 60.44 ? 156 GLN A CG 1 ATOM 1236 C CD . GLN A 1 155 ? -38.152 -11.573 25.295 1.00 77.40 ? 156 GLN A CD 1 ATOM 1237 O OE1 . GLN A 1 155 ? -38.282 -12.708 24.835 1.00 77.68 ? 156 GLN A OE1 1 ATOM 1238 N NE2 . GLN A 1 155 ? -38.995 -10.586 25.013 1.00 92.48 ? 156 GLN A NE2 1 ATOM 1239 N N . ASN A 1 156 ? -33.694 -10.266 24.562 1.00 56.24 ? 157 ASN A N 1 ATOM 1240 C CA . ASN A 1 156 ? -33.349 -8.901 24.170 1.00 54.92 ? 157 ASN A CA 1 ATOM 1241 C C . ASN A 1 156 ? -33.041 -8.771 22.679 1.00 43.97 ? 157 ASN A C 1 ATOM 1242 O O . ASN A 1 156 ? -32.673 -7.694 22.211 1.00 40.54 ? 157 ASN A O 1 ATOM 1243 C CB . ASN A 1 156 ? -32.163 -8.386 24.993 1.00 64.27 ? 157 ASN A CB 1 ATOM 1244 C CG . ASN A 1 156 ? -30.897 -9.201 24.787 1.00 72.32 ? 157 ASN A CG 1 ATOM 1245 O OD1 . ASN A 1 156 ? -30.863 -10.140 23.992 1.00 80.88 ? 157 ASN A OD1 1 ATOM 1246 N ND2 . ASN A 1 156 ? -29.842 -8.834 25.504 1.00 69.83 ? 157 ASN A ND2 1 ATOM 1247 N N . LYS A 1 157 ? -33.177 -9.880 21.953 1.00 37.56 ? 158 LYS A N 1 ATOM 1248 C CA . LYS A 1 157 ? -33.051 -9.910 20.494 1.00 44.55 ? 158 LYS A CA 1 ATOM 1249 C C . LYS A 1 157 ? -31.641 -9.575 20.008 1.00 44.13 ? 158 LYS A C 1 ATOM 1250 O O . LYS A 1 157 ? -31.442 -9.277 18.832 1.00 53.99 ? 158 LYS A O 1 ATOM 1251 C CB . LYS A 1 157 ? -34.059 -8.949 19.852 1.00 38.98 ? 158 LYS A CB 1 ATOM 1252 C CG . LYS A 1 157 ? -35.502 -9.161 20.290 1.00 38.02 ? 158 LYS A CG 1 ATOM 1253 C CD . LYS A 1 157 ? -36.109 -10.382 19.624 1.00 55.80 ? 158 LYS A CD 1 ATOM 1254 C CE . LYS A 1 157 ? -37.542 -10.609 20.081 1.00 45.93 ? 158 LYS A CE 1 ATOM 1255 N NZ . LYS A 1 157 ? -37.609 -11.070 21.493 1.00 41.33 ? 158 LYS A NZ 1 ATOM 1256 N N . HIS A 1 158 ? -30.665 -9.632 20.908 1.00 46.50 ? 159 HIS A N 1 ATOM 1257 C CA . HIS A 1 158 ? -29.293 -9.272 20.566 1.00 44.67 ? 159 HIS A CA 1 ATOM 1258 C C . HIS A 1 158 ? -28.272 -10.240 21.156 1.00 43.02 ? 159 HIS A C 1 ATOM 1259 O O . HIS A 1 158 ? -27.520 -10.883 20.424 1.00 41.62 ? 159 HIS A O 1 ATOM 1260 C CB . HIS A 1 158 ? -28.990 -7.849 21.034 1.00 55.19 ? 159 HIS A CB 1 ATOM 1261 C CG . HIS A 1 158 ? -29.646 -6.791 20.204 1.00 68.97 ? 159 HIS A CG 1 ATOM 1262 N ND1 . HIS A 1 158 ? -28.943 -5.988 19.332 1.00 77.55 ? 159 HIS A ND1 1 ATOM 1263 C CD2 . HIS A 1 158 ? -30.941 -6.409 20.106 1.00 73.95 ? 159 HIS A CD2 1 ATOM 1264 C CE1 . HIS A 1 158 ? -29.776 -5.155 18.736 1.00 72.10 ? 159 HIS A CE1 1 ATOM 1265 N NE2 . HIS A 1 158 ? -30.995 -5.390 19.186 1.00 72.54 ? 159 HIS A NE2 1 ATOM 1266 N N . THR A 1 159 ? -28.248 -10.327 22.483 1.00 41.24 ? 160 THR A N 1 ATOM 1267 C CA . THR A 1 159 ? -27.334 -11.215 23.193 1.00 37.45 ? 160 THR A CA 1 ATOM 1268 C C . THR A 1 159 ? -27.627 -12.673 22.853 1.00 35.39 ? 160 THR A C 1 ATOM 1269 O O . THR A 1 159 ? -28.765 -13.031 22.560 1.00 37.45 ? 160 THR A O 1 ATOM 1270 C CB . THR A 1 159 ? -27.434 -11.009 24.718 1.00 40.91 ? 160 THR A CB 1 ATOM 1271 O OG1 . THR A 1 159 ? -27.354 -9.609 25.014 1.00 50.28 ? 160 THR A OG1 1 ATOM 1272 C CG2 . THR A 1 159 ? -26.318 -11.743 25.450 1.00 44.38 ? 160 THR A CG2 1 ATOM 1273 N N . CYS A 1 160 ? -26.600 -13.513 22.882 1.00 50.79 ? 161 CYS A N 1 ATOM 1274 C CA . CYS A 1 160 ? -26.783 -14.920 22.569 1.00 54.01 ? 161 CYS A CA 1 ATOM 1275 C C . CYS A 1 160 ? -26.445 -15.815 23.760 1.00 46.05 ? 161 CYS A C 1 ATOM 1276 O O . CYS A 1 160 ? -25.290 -15.907 24.174 1.00 44.29 ? 161 CYS A O 1 ATOM 1277 C CB . CYS A 1 160 ? -25.936 -15.303 21.359 1.00 55.91 ? 161 CYS A CB 1 ATOM 1278 S SG . CYS A 1 160 ? -26.502 -16.798 20.551 1.00 184.17 ? 161 CYS A SG 1 ATOM 1279 N N . SER A 1 161 ? -27.466 -16.472 24.301 1.00 55.30 ? 162 SER A N 1 ATOM 1280 C CA . SER A 1 161 ? -27.313 -17.341 25.463 1.00 43.06 ? 162 SER A CA 1 ATOM 1281 C C . SER A 1 161 ? -26.881 -18.747 25.060 1.00 45.81 ? 162 SER A C 1 ATOM 1282 O O . SER A 1 161 ? -27.283 -19.252 24.016 1.00 54.97 ? 162 SER A O 1 ATOM 1283 C CB . SER A 1 161 ? -28.622 -17.410 26.249 1.00 43.29 ? 162 SER A CB 1 ATOM 1284 O OG . SER A 1 161 ? -29.130 -16.114 26.514 1.00 43.00 ? 162 SER A OG 1 ATOM 1285 N N . ALA A 1 162 ? -26.070 -19.382 25.899 1.00 47.40 ? 163 ALA A N 1 ATOM 1286 C CA . ALA A 1 162 ? -25.563 -20.715 25.599 1.00 46.44 ? 163 ALA A CA 1 ATOM 1287 C C . ALA A 1 162 ? -26.603 -21.793 25.881 1.00 48.21 ? 163 ALA A C 1 ATOM 1288 O O . ALA A 1 162 ? -27.470 -21.624 26.736 1.00 60.83 ? 163 ALA A O 1 ATOM 1289 C CB . ALA A 1 162 ? -24.299 -20.988 26.393 1.00 36.37 ? 163 ALA A CB 1 ATOM 1290 N N . LEU A 1 163 ? -26.512 -22.898 25.148 1.00 44.70 ? 164 LEU A N 1 ATOM 1291 C CA . LEU A 1 163 ? -27.351 -24.062 25.401 1.00 44.45 ? 164 LEU A CA 1 ATOM 1292 C C . LEU A 1 163 ? -26.607 -25.031 26.312 1.00 59.19 ? 164 LEU A C 1 ATOM 1293 O O . LEU A 1 163 ? -26.078 -26.046 25.859 1.00 67.56 ? 164 LEU A O 1 ATOM 1294 C CB . LEU A 1 163 ? -27.742 -24.746 24.090 1.00 45.79 ? 164 LEU A CB 1 ATOM 1295 C CG . LEU A 1 163 ? -28.608 -23.925 23.133 1.00 48.92 ? 164 LEU A CG 1 ATOM 1296 C CD1 . LEU A 1 163 ? -28.771 -24.642 21.802 1.00 58.76 ? 164 LEU A CD1 1 ATOM 1297 C CD2 . LEU A 1 163 ? -29.963 -23.639 23.756 1.00 49.18 ? 164 LEU A CD2 1 ATOM 1298 N N . CYS A 1 164 ? -26.571 -24.706 27.599 1.00 58.25 ? 165 CYS A N 1 ATOM 1299 C CA . CYS A 1 164 ? -25.756 -25.443 28.555 1.00 55.15 ? 165 CYS A CA 1 ATOM 1300 C C . CYS A 1 164 ? -26.584 -26.086 29.662 1.00 60.16 ? 165 CYS A C 1 ATOM 1301 O O . CYS A 1 164 ? -26.097 -26.285 30.774 1.00 61.73 ? 165 CYS A O 1 ATOM 1302 C CB . CYS A 1 164 ? -24.711 -24.512 29.167 1.00 51.41 ? 165 CYS A CB 1 ATOM 1303 S SG . CYS A 1 164 ? -25.404 -22.964 29.792 1.00 65.77 ? 165 CYS A SG 1 ATOM 1304 N N . SER A 1 165 ? -27.833 -26.415 29.356 1.00 69.61 ? 166 SER A N 1 ATOM 1305 C CA . SER A 1 165 ? -28.715 -27.024 30.344 1.00 70.02 ? 166 SER A CA 1 ATOM 1306 C C . SER A 1 165 ? -29.116 -28.440 29.955 1.00 76.84 ? 166 SER A C 1 ATOM 1307 O O . SER A 1 165 ? -29.339 -28.734 28.780 1.00 84.62 ? 166 SER A O 1 ATOM 1308 C CB . SER A 1 165 ? -29.969 -26.170 30.539 1.00 71.71 ? 166 SER A CB 1 ATOM 1309 O OG . SER A 1 165 ? -29.639 -24.879 31.015 1.00 80.64 ? 166 SER A OG 1 ATOM 1310 N N . GLY A 1 166 ? -29.198 -29.318 30.948 1.00 77.91 ? 167 GLY A N 1 ATOM 1311 C CA . GLY A 1 166 ? -29.779 -30.632 30.750 1.00 86.45 ? 167 GLY A CA 1 ATOM 1312 C C . GLY A 1 166 ? -28.853 -31.730 30.264 1.00 90.91 ? 167 GLY A C 1 ATOM 1313 O O . GLY A 1 166 ? -29.296 -32.647 29.572 1.00 93.27 ? 167 GLY A O 1 ATOM 1314 N N . GLN A 1 167 ? -27.573 -31.652 30.614 1.00 88.41 ? 168 GLN A N 1 ATOM 1315 C CA . GLN A 1 167 ? -26.681 -32.780 30.373 1.00 86.53 ? 168 GLN A CA 1 ATOM 1316 C C . GLN A 1 167 ? -26.562 -33.605 31.643 1.00 82.43 ? 168 GLN A C 1 ATOM 1317 O O . GLN A 1 167 ? -25.963 -33.169 32.626 1.00 84.14 ? 168 GLN A O 1 ATOM 1318 C CB . GLN A 1 167 ? -25.296 -32.328 29.909 1.00 83.55 ? 168 GLN A CB 1 ATOM 1319 C CG . GLN A 1 167 ? -24.363 -33.501 29.628 1.00 86.85 ? 168 GLN A CG 1 ATOM 1320 C CD . GLN A 1 167 ? -23.002 -33.072 29.116 1.00 83.77 ? 168 GLN A CD 1 ATOM 1321 O OE1 . GLN A 1 167 ? -22.703 -31.881 29.029 1.00 74.05 ? 168 GLN A OE1 1 ATOM 1322 N NE2 . GLN A 1 167 ? -22.167 -34.048 28.774 1.00 87.62 ? 168 GLN A NE2 1 ATOM 1323 N N . VAL A 1 168 ? -27.143 -34.799 31.618 1.00 73.11 ? 169 VAL A N 1 ATOM 1324 C CA . VAL A 1 168 ? -27.154 -35.660 32.790 1.00 64.00 ? 169 VAL A CA 1 ATOM 1325 C C . VAL A 1 168 ? -25.925 -36.560 32.824 1.00 61.72 ? 169 VAL A C 1 ATOM 1326 O O . VAL A 1 168 ? -25.628 -37.262 31.858 1.00 64.28 ? 169 VAL A O 1 ATOM 1327 C CB . VAL A 1 168 ? -28.422 -36.529 32.834 1.00 62.78 ? 169 VAL A CB 1 ATOM 1328 C CG1 . VAL A 1 168 ? -28.498 -37.285 34.152 1.00 61.07 ? 169 VAL A CG1 1 ATOM 1329 C CG2 . VAL A 1 168 ? -29.657 -35.666 32.639 1.00 60.15 ? 169 VAL A CG2 1 ATOM 1330 N N . PHE A 1 169 ? -25.212 -36.530 33.944 1.00 58.66 ? 170 PHE A N 1 ATOM 1331 C CA . PHE A 1 169 ? -24.035 -37.367 34.130 1.00 60.63 ? 170 PHE A CA 1 ATOM 1332 C C . PHE A 1 169 ? -24.382 -38.584 34.979 1.00 59.49 ? 170 PHE A C 1 ATOM 1333 O O . PHE A 1 169 ? -24.956 -38.450 36.059 1.00 55.57 ? 170 PHE A O 1 ATOM 1334 C CB . PHE A 1 169 ? -22.905 -36.569 34.781 1.00 55.96 ? 170 PHE A CB 1 ATOM 1335 C CG . PHE A 1 169 ? -22.502 -35.347 34.007 1.00 51.61 ? 170 PHE A CG 1 ATOM 1336 C CD1 . PHE A 1 169 ? -23.152 -34.139 34.204 1.00 50.97 ? 170 PHE A CD1 1 ATOM 1337 C CD2 . PHE A 1 169 ? -21.473 -35.405 33.083 1.00 50.91 ? 170 PHE A CD2 1 ATOM 1338 C CE1 . PHE A 1 169 ? -22.783 -33.014 33.493 1.00 55.97 ? 170 PHE A CE1 1 ATOM 1339 C CE2 . PHE A 1 169 ? -21.098 -34.283 32.369 1.00 54.30 ? 170 PHE A CE2 1 ATOM 1340 C CZ . PHE A 1 169 ? -21.754 -33.085 32.574 1.00 53.72 ? 170 PHE A CZ 1 ATOM 1341 N N . THR A 1 170 ? -24.037 -39.770 34.487 1.00 58.59 ? 171 THR A N 1 ATOM 1342 C CA . THR A 1 170 ? -24.374 -41.004 35.188 1.00 62.64 ? 171 THR A CA 1 ATOM 1343 C C . THR A 1 170 ? -23.153 -41.885 35.432 1.00 65.08 ? 171 THR A C 1 ATOM 1344 O O . THR A 1 170 ? -23.249 -42.920 36.092 1.00 68.56 ? 171 THR A O 1 ATOM 1345 C CB . THR A 1 170 ? -25.429 -41.817 34.416 1.00 65.60 ? 171 THR A CB 1 ATOM 1346 O OG1 . THR A 1 170 ? -24.983 -42.026 33.070 1.00 71.71 ? 171 THR A OG1 1 ATOM 1347 C CG2 . THR A 1 170 ? -26.759 -41.079 34.395 1.00 58.98 ? 171 THR A CG2 1 ATOM 1348 N N . GLY A 1 171 ? -22.007 -41.477 34.896 1.00 61.45 ? 172 GLY A N 1 ATOM 1349 C CA . GLY A 1 171 ? -20.769 -42.198 35.129 1.00 61.26 ? 172 GLY A CA 1 ATOM 1350 C C . GLY A 1 171 ? -20.287 -41.979 36.550 1.00 61.15 ? 172 GLY A C 1 ATOM 1351 O O . GLY A 1 171 ? -20.659 -40.994 37.186 1.00 51.70 ? 172 GLY A O 1 ATOM 1352 N N . ARG A 1 172 ? -19.461 -42.894 37.050 1.00 62.00 ? 173 ARG A N 1 ATOM 1353 C CA . ARG A 1 172 ? -18.927 -42.777 38.404 1.00 64.92 ? 173 ARG A CA 1 ATOM 1354 C C . ARG A 1 172 ? -18.059 -41.534 38.563 1.00 60.91 ? 173 ARG A C 1 ATOM 1355 O O . ARG A 1 172 ? -17.925 -40.997 39.662 1.00 58.13 ? 173 ARG A O 1 ATOM 1356 C CB . ARG A 1 172 ? -18.118 -44.020 38.780 1.00 70.60 ? 173 ARG A CB 1 ATOM 1357 C CG . ARG A 1 172 ? -18.952 -45.176 39.303 1.00 75.13 ? 173 ARG A CG 1 ATOM 1358 C CD . ARG A 1 172 ? -18.118 -46.076 40.200 1.00 86.47 ? 173 ARG A CD 1 ATOM 1359 N NE . ARG A 1 172 ? -17.687 -45.384 41.413 1.00 90.70 ? 173 ARG A NE 1 ATOM 1360 C CZ . ARG A 1 172 ? -16.774 -45.852 42.258 1.00 102.07 ? 173 ARG A CZ 1 ATOM 1361 N NH1 . ARG A 1 172 ? -16.183 -47.016 42.022 1.00 107.56 ? 173 ARG A NH1 1 ATOM 1362 N NH2 . ARG A 1 172 ? -16.446 -45.154 43.336 1.00 100.83 ? 173 ARG A NH2 1 ATOM 1363 N N . SER A 1 173 ? -17.469 -41.084 37.463 1.00 55.67 ? 174 SER A N 1 ATOM 1364 C CA . SER A 1 173 ? -16.654 -39.878 37.484 1.00 57.80 ? 174 SER A CA 1 ATOM 1365 C C . SER A 1 173 ? -16.821 -39.088 36.193 1.00 59.78 ? 174 SER A C 1 ATOM 1366 O O . SER A 1 173 ? -17.240 -39.634 35.172 1.00 67.12 ? 174 SER A O 1 ATOM 1367 C CB . SER A 1 173 ? -15.181 -40.227 37.708 1.00 60.07 ? 174 SER A CB 1 ATOM 1368 O OG . SER A 1 173 ? -14.706 -41.105 36.704 1.00 73.23 ? 174 SER A OG 1 ATOM 1369 N N . GLY A 1 174 ? -16.500 -37.799 36.239 1.00 50.99 ? 175 GLY A N 1 ATOM 1370 C CA . GLY A 1 174 ? -16.606 -36.978 35.047 1.00 47.27 ? 175 GLY A CA 1 ATOM 1371 C C . GLY A 1 174 ? -16.210 -35.528 35.237 1.00 53.83 ? 175 GLY A C 1 ATOM 1372 O O . GLY A 1 174 ? -15.772 -35.125 36.318 1.00 52.12 ? 175 GLY A O 1 ATOM 1373 N N . PHE A 1 175 ? -16.372 -34.742 34.176 1.00 53.69 ? 176 PHE A N 1 ATOM 1374 C CA . PHE A 1 175 ? -15.971 -33.341 34.188 1.00 45.48 ? 176 PHE A CA 1 ATOM 1375 C C . PHE A 1 175 ? -17.090 -32.399 33.752 1.00 44.33 ? 176 PHE A C 1 ATOM 1376 O O . PHE A 1 175 ? -17.780 -32.640 32.762 1.00 46.19 ? 176 PHE A O 1 ATOM 1377 C CB . PHE A 1 175 ? -14.748 -33.134 33.292 1.00 43.71 ? 176 PHE A CB 1 ATOM 1378 C CG . PHE A 1 175 ? -13.480 -33.699 33.860 1.00 42.77 ? 176 PHE A CG 1 ATOM 1379 C CD1 . PHE A 1 175 ? -13.105 -35.004 33.592 1.00 46.92 ? 176 PHE A CD1 1 ATOM 1380 C CD2 . PHE A 1 175 ? -12.662 -32.922 34.665 1.00 43.61 ? 176 PHE A CD2 1 ATOM 1381 C CE1 . PHE A 1 175 ? -11.936 -35.526 34.115 1.00 52.33 ? 176 PHE A CE1 1 ATOM 1382 C CE2 . PHE A 1 175 ? -11.493 -33.437 35.191 1.00 46.49 ? 176 PHE A CE2 1 ATOM 1383 C CZ . PHE A 1 175 ? -11.129 -34.741 34.916 1.00 51.38 ? 176 PHE A CZ 1 ATOM 1384 N N . LEU A 1 176 ? -17.250 -31.324 34.516 1.00 46.39 ? 177 LEU A N 1 ATOM 1385 C CA . LEU A 1 176 ? -18.186 -30.251 34.215 1.00 44.43 ? 177 LEU A CA 1 ATOM 1386 C C . LEU A 1 176 ? -17.393 -28.971 33.984 1.00 49.44 ? 177 LEU A C 1 ATOM 1387 O O . LEU A 1 176 ? -16.279 -28.832 34.485 1.00 52.90 ? 177 LEU A O 1 ATOM 1388 C CB . LEU A 1 176 ? -19.188 -30.054 35.358 1.00 50.53 ? 177 LEU A CB 1 ATOM 1389 C CG . LEU A 1 176 ? -20.373 -31.006 35.557 1.00 56.65 ? 177 LEU A CG 1 ATOM 1390 C CD1 . LEU A 1 176 ? -19.938 -32.450 35.765 1.00 60.69 ? 177 LEU A CD1 1 ATOM 1391 C CD2 . LEU A 1 176 ? -21.205 -30.533 36.739 1.00 49.59 ? 177 LEU A CD2 1 ATOM 1392 N N . SER A 1 177 ? -17.962 -28.038 33.231 1.00 48.68 ? 178 SER A N 1 ATOM 1393 C CA . SER A 1 177 ? -17.302 -26.761 32.987 1.00 47.27 ? 178 SER A CA 1 ATOM 1394 C C . SER A 1 177 ? -18.280 -25.737 32.436 1.00 48.38 ? 178 SER A C 1 ATOM 1395 O O . SER A 1 177 ? -19.241 -26.090 31.752 1.00 58.89 ? 178 SER A O 1 ATOM 1396 C CB . SER A 1 177 ? -16.128 -26.931 32.017 1.00 49.68 ? 178 SER A CB 1 ATOM 1397 O OG . SER A 1 177 ? -16.554 -27.478 30.781 1.00 54.85 ? 178 SER A OG 1 ATOM 1398 N N . SER A 1 178 ? -18.035 -24.469 32.744 1.00 45.26 ? 179 SER A N 1 ATOM 1399 C CA . SER A 1 178 ? -18.789 -23.386 32.133 1.00 46.45 ? 179 SER A CA 1 ATOM 1400 C C . SER A 1 178 ? -18.581 -23.436 30.623 1.00 49.37 ? 179 SER A C 1 ATOM 1401 O O . SER A 1 178 ? -17.552 -23.926 30.157 1.00 50.68 ? 179 SER A O 1 ATOM 1402 C CB . SER A 1 178 ? -18.358 -22.031 32.705 1.00 46.58 ? 179 SER A CB 1 ATOM 1403 O OG . SER A 1 178 ? -16.956 -21.848 32.605 1.00 42.22 ? 179 SER A OG 1 ATOM 1404 N N . PRO A 1 179 ? -19.567 -22.954 29.851 1.00 42.02 ? 180 PRO A N 1 ATOM 1405 C CA . PRO A 1 179 ? -19.434 -22.954 28.390 1.00 42.34 ? 180 PRO A CA 1 ATOM 1406 C C . PRO A 1 179 ? -18.175 -22.222 27.934 1.00 50.36 ? 180 PRO A C 1 ATOM 1407 O O . PRO A 1 179 ? -17.797 -21.220 28.542 1.00 56.04 ? 180 PRO A O 1 ATOM 1408 C CB . PRO A 1 179 ? -20.693 -22.220 27.919 1.00 42.66 ? 180 PRO A CB 1 ATOM 1409 C CG . PRO A 1 179 ? -21.667 -22.388 29.028 1.00 40.69 ? 180 PRO A CG 1 ATOM 1410 C CD . PRO A 1 179 ? -20.862 -22.408 30.289 1.00 37.44 ? 180 PRO A CD 1 ATOM 1411 N N . GLU A 1 180 ? -17.535 -22.750 26.894 1.00 54.19 ? 181 GLU A N 1 ATOM 1412 C CA . GLU A 1 180 ? -16.316 -22.188 26.309 1.00 50.40 ? 181 GLU A CA 1 ATOM 1413 C C . GLU A 1 180 ? -15.089 -22.225 27.228 1.00 48.44 ? 181 GLU A C 1 ATOM 1414 O O . GLU A 1 180 ? -14.056 -21.666 26.880 1.00 53.68 ? 181 GLU A O 1 ATOM 1415 C CB . GLU A 1 180 ? -16.564 -20.747 25.841 1.00 54.76 ? 181 GLU A CB 1 ATOM 1416 C CG . GLU A 1 180 ? -16.733 -20.606 24.332 1.00 64.41 ? 181 GLU A CG 1 ATOM 1417 C CD . GLU A 1 180 ? -17.700 -21.623 23.757 1.00 67.75 ? 181 GLU A CD 1 ATOM 1418 O OE1 . GLU A 1 180 ? -17.235 -22.642 23.205 1.00 70.02 ? 181 GLU A OE1 1 ATOM 1419 O OE2 . GLU A 1 180 ? -18.926 -21.405 23.856 1.00 70.89 ? 181 GLU A OE2 1 ATOM 1420 N N . TYR A 1 181 ? -15.185 -22.892 28.377 1.00 54.42 ? 182 TYR A N 1 ATOM 1421 C CA . TYR A 1 181 ? -14.039 -23.015 29.285 1.00 55.87 ? 182 TYR A CA 1 ATOM 1422 C C . TYR A 1 181 ? -12.858 -23.672 28.569 1.00 65.99 ? 182 TYR A C 1 ATOM 1423 O O . TYR A 1 181 ? -13.048 -24.636 27.829 1.00 75.34 ? 182 TYR A O 1 ATOM 1424 C CB . TYR A 1 181 ? -14.419 -23.823 30.534 1.00 51.66 ? 182 TYR A CB 1 ATOM 1425 C CG . TYR A 1 181 ? -13.338 -23.864 31.594 1.00 55.20 ? 182 TYR A CG 1 ATOM 1426 C CD1 . TYR A 1 181 ? -13.250 -22.872 32.562 1.00 52.52 ? 182 TYR A CD1 1 ATOM 1427 C CD2 . TYR A 1 181 ? -12.398 -24.888 31.618 1.00 54.98 ? 182 TYR A CD2 1 ATOM 1428 C CE1 . TYR A 1 181 ? -12.261 -22.900 33.526 1.00 58.01 ? 182 TYR A CE1 1 ATOM 1429 C CE2 . TYR A 1 181 ? -11.404 -24.923 32.577 1.00 52.23 ? 182 TYR A CE2 1 ATOM 1430 C CZ . TYR A 1 181 ? -11.341 -23.928 33.529 1.00 58.00 ? 182 TYR A CZ 1 ATOM 1431 O OH . TYR A 1 181 ? -10.353 -23.963 34.485 1.00 62.72 ? 182 TYR A OH 1 ATOM 1432 N N . PRO A 1 182 ? -11.631 -23.165 28.794 1.00 65.94 ? 183 PRO A N 1 ATOM 1433 C CA . PRO A 1 182 ? -11.245 -22.085 29.711 1.00 59.41 ? 183 PRO A CA 1 ATOM 1434 C C . PRO A 1 182 ? -11.257 -20.683 29.100 1.00 62.51 ? 183 PRO A C 1 ATOM 1435 O O . PRO A 1 182 ? -10.443 -19.849 29.495 1.00 68.09 ? 183 PRO A O 1 ATOM 1436 C CB . PRO A 1 182 ? -9.820 -22.474 30.099 1.00 56.56 ? 183 PRO A CB 1 ATOM 1437 C CG . PRO A 1 182 ? -9.283 -23.093 28.854 1.00 62.22 ? 183 PRO A CG 1 ATOM 1438 C CD . PRO A 1 182 ? -10.446 -23.806 28.194 1.00 66.56 ? 183 PRO A CD 1 ATOM 1439 N N . GLN A 1 183 ? -12.155 -20.430 28.155 1.00 59.96 ? 184 GLN A N 1 ATOM 1440 C CA . GLN A 1 183 ? -12.334 -19.083 27.620 1.00 54.39 ? 184 GLN A CA 1 ATOM 1441 C C . GLN A 1 183 ? -13.504 -18.425 28.354 1.00 50.44 ? 184 GLN A C 1 ATOM 1442 O O . GLN A 1 183 ? -14.276 -19.119 29.017 1.00 46.92 ? 184 GLN A O 1 ATOM 1443 C CB . GLN A 1 183 ? -12.577 -19.127 26.106 1.00 51.60 ? 184 GLN A CB 1 ATOM 1444 C CG . GLN A 1 183 ? -11.561 -19.958 25.337 1.00 52.09 ? 184 GLN A CG 1 ATOM 1445 C CD . GLN A 1 183 ? -10.150 -19.417 25.456 1.00 59.93 ? 184 GLN A CD 1 ATOM 1446 O OE1 . GLN A 1 183 ? -9.941 -18.207 25.553 1.00 64.53 ? 184 GLN A OE1 1 ATOM 1447 N NE2 . GLN A 1 183 ? -9.170 -20.315 25.451 1.00 58.67 ? 184 GLN A NE2 1 ATOM 1448 N N . PRO A 1 184 ? -13.622 -17.087 28.267 1.00 45.12 ? 185 PRO A N 1 ATOM 1449 C CA . PRO A 1 184 ? -14.727 -16.364 28.911 1.00 41.55 ? 185 PRO A CA 1 ATOM 1450 C C . PRO A 1 184 ? -16.111 -16.952 28.635 1.00 42.16 ? 185 PRO A C 1 ATOM 1451 O O . PRO A 1 184 ? -16.480 -17.148 27.477 1.00 46.87 ? 185 PRO A O 1 ATOM 1452 C CB . PRO A 1 184 ? -14.609 -14.964 28.310 1.00 44.63 ? 185 PRO A CB 1 ATOM 1453 C CG . PRO A 1 184 ? -13.151 -14.796 28.100 1.00 52.75 ? 185 PRO A CG 1 ATOM 1454 C CD . PRO A 1 184 ? -12.625 -16.155 27.706 1.00 51.63 ? 185 PRO A CD 1 ATOM 1455 N N . TYR A 1 185 ? -16.862 -17.231 29.697 1.00 42.37 ? 186 TYR A N 1 ATOM 1456 C CA . TYR A 1 185 ? -18.199 -17.794 29.556 1.00 39.99 ? 186 TYR A CA 1 ATOM 1457 C C . TYR A 1 185 ? -19.166 -16.756 28.993 1.00 35.26 ? 186 TYR A C 1 ATOM 1458 O O . TYR A 1 185 ? -19.030 -15.564 29.268 1.00 40.05 ? 186 TYR A O 1 ATOM 1459 C CB . TYR A 1 185 ? -18.706 -18.338 30.899 1.00 43.47 ? 186 TYR A CB 1 ATOM 1460 C CG . TYR A 1 185 ? -18.570 -17.392 32.072 1.00 47.26 ? 186 TYR A CG 1 ATOM 1461 C CD1 . TYR A 1 185 ? -19.473 -16.356 32.266 1.00 46.72 ? 186 TYR A CD1 1 ATOM 1462 C CD2 . TYR A 1 185 ? -17.551 -17.551 32.999 1.00 46.72 ? 186 TYR A CD2 1 ATOM 1463 C CE1 . TYR A 1 185 ? -19.356 -15.498 33.341 1.00 44.39 ? 186 TYR A CE1 1 ATOM 1464 C CE2 . TYR A 1 185 ? -17.425 -16.697 34.079 1.00 38.99 ? 186 TYR A CE2 1 ATOM 1465 C CZ . TYR A 1 185 ? -18.330 -15.672 34.244 1.00 42.54 ? 186 TYR A CZ 1 ATOM 1466 O OH . TYR A 1 185 ? -18.208 -14.819 35.317 1.00 44.50 ? 186 TYR A OH 1 ATOM 1467 N N . PRO A 1 186 ? -20.144 -17.210 28.193 1.00 35.38 ? 187 PRO A N 1 ATOM 1468 C CA . PRO A 1 186 ? -21.090 -16.322 27.509 1.00 45.42 ? 187 PRO A CA 1 ATOM 1469 C C . PRO A 1 186 ? -21.992 -15.543 28.461 1.00 47.82 ? 187 PRO A C 1 ATOM 1470 O O . PRO A 1 186 ? -22.129 -15.901 29.630 1.00 43.64 ? 187 PRO A O 1 ATOM 1471 C CB . PRO A 1 186 ? -21.917 -17.285 26.650 1.00 45.27 ? 187 PRO A CB 1 ATOM 1472 C CG . PRO A 1 186 ? -21.774 -18.605 27.316 1.00 44.20 ? 187 PRO A CG 1 ATOM 1473 C CD . PRO A 1 186 ? -20.385 -18.624 27.863 1.00 34.64 ? 187 PRO A CD 1 ATOM 1474 N N . LYS A 1 187 ? -22.604 -14.483 27.944 1.00 58.27 ? 188 LYS A N 1 ATOM 1475 C CA . LYS A 1 187 ? -23.435 -13.597 28.748 1.00 53.68 ? 188 LYS A CA 1 ATOM 1476 C C . LYS A 1 187 ? -24.892 -14.047 28.764 1.00 53.83 ? 188 LYS A C 1 ATOM 1477 O O . LYS A 1 187 ? -25.351 -14.726 27.844 1.00 59.30 ? 188 LYS A O 1 ATOM 1478 C CB . LYS A 1 187 ? -23.340 -12.165 28.222 1.00 57.18 ? 188 LYS A CB 1 ATOM 1479 C CG . LYS A 1 187 ? -21.918 -11.683 27.991 1.00 61.76 ? 188 LYS A CG 1 ATOM 1480 C CD . LYS A 1 187 ? -21.739 -11.169 26.572 1.00 71.53 ? 188 LYS A CD 1 ATOM 1481 C CE . LYS A 1 187 ? -22.728 -10.056 26.262 1.00 81.71 ? 188 LYS A CE 1 ATOM 1482 N NZ . LYS A 1 187 ? -22.595 -9.561 24.864 1.00 86.03 ? 188 LYS A NZ 1 ATOM 1483 N N . LEU A 1 188 ? -25.605 -13.653 29.817 1.00 46.37 ? 189 LEU A N 1 ATOM 1484 C CA . LEU A 1 188 ? -27.028 -13.946 29.985 1.00 41.80 ? 189 LEU A CA 1 ATOM 1485 C C . LEU A 1 188 ? -27.367 -15.408 29.728 1.00 39.94 ? 189 LEU A C 1 ATOM 1486 O O . LEU A 1 188 ? -28.340 -15.718 29.046 1.00 38.63 ? 189 LEU A O 1 ATOM 1487 C CB . LEU A 1 188 ? -27.865 -13.052 29.068 1.00 44.55 ? 189 LEU A CB 1 ATOM 1488 C CG . LEU A 1 188 ? -27.849 -11.561 29.409 1.00 50.83 ? 189 LEU A CG 1 ATOM 1489 C CD1 . LEU A 1 188 ? -28.756 -10.789 28.467 1.00 47.25 ? 189 LEU A CD1 1 ATOM 1490 C CD2 . LEU A 1 188 ? -28.255 -11.337 30.861 1.00 46.85 ? 189 LEU A CD2 1 ATOM 1491 N N . SER A 1 189 ? -26.558 -16.304 30.281 1.00 45.04 ? 190 SER A N 1 ATOM 1492 C CA . SER A 1 189 ? -26.767 -17.731 30.092 1.00 43.69 ? 190 SER A CA 1 ATOM 1493 C C . SER A 1 189 ? -27.165 -18.406 31.400 1.00 37.58 ? 190 SER A C 1 ATOM 1494 O O . SER A 1 189 ? -26.754 -17.984 32.479 1.00 40.32 ? 190 SER A O 1 ATOM 1495 C CB . SER A 1 189 ? -25.508 -18.383 29.518 1.00 43.70 ? 190 SER A CB 1 ATOM 1496 O OG . SER A 1 189 ? -25.142 -17.779 28.289 1.00 48.52 ? 190 SER A OG 1 ATOM 1497 N N . SER A 1 190 ? -27.978 -19.452 31.288 1.00 43.87 ? 191 SER A N 1 ATOM 1498 C CA . SER A 1 190 ? -28.425 -20.224 32.440 1.00 36.01 ? 191 SER A CA 1 ATOM 1499 C C . SER A 1 190 ? -28.129 -21.704 32.232 1.00 43.18 ? 191 SER A C 1 ATOM 1500 O O . SER A 1 190 ? -28.858 -22.401 31.527 1.00 44.04 ? 191 SER A O 1 ATOM 1501 C CB . SER A 1 190 ? -29.921 -20.015 32.685 1.00 42.89 ? 191 SER A CB 1 ATOM 1502 O OG . SER A 1 190 ? -30.196 -18.674 33.049 1.00 48.08 ? 191 SER A OG 1 ATOM 1503 N N . CYS A 1 191 ? -27.052 -22.174 32.850 1.00 44.51 ? 192 CYS A N 1 ATOM 1504 C CA . CYS A 1 191 ? -26.603 -23.550 32.690 1.00 47.46 ? 192 CYS A CA 1 ATOM 1505 C C . CYS A 1 191 ? -27.071 -24.431 33.844 1.00 52.19 ? 192 CYS A C 1 ATOM 1506 O O . CYS A 1 191 ? -27.018 -24.029 35.009 1.00 59.32 ? 192 CYS A O 1 ATOM 1507 C CB . CYS A 1 191 ? -25.078 -23.598 32.579 1.00 46.00 ? 192 CYS A CB 1 ATOM 1508 S SG . CYS A 1 191 ? -24.380 -22.376 31.444 1.00 74.74 ? 192 CYS A SG 1 ATOM 1509 N N . ALA A 1 192 ? -27.527 -25.634 33.510 1.00 53.22 ? 193 ALA A N 1 ATOM 1510 C CA . ALA A 1 192 ? -27.991 -26.585 34.512 1.00 54.95 ? 193 ALA A CA 1 ATOM 1511 C C . ALA A 1 192 ? -27.361 -27.954 34.293 1.00 53.08 ? 193 ALA A C 1 ATOM 1512 O O . ALA A 1 192 ? -27.588 -28.599 33.268 1.00 63.16 ? 193 ALA A O 1 ATOM 1513 C CB . ALA A 1 192 ? -29.507 -26.688 34.487 1.00 63.97 ? 193 ALA A CB 1 ATOM 1514 N N . TYR A 1 193 ? -26.567 -28.388 35.266 1.00 49.69 ? 194 TYR A N 1 ATOM 1515 C CA . TYR A 1 193 ? -25.893 -29.677 35.203 1.00 52.52 ? 194 TYR A CA 1 ATOM 1516 C C . TYR A 1 193 ? -26.487 -30.629 36.234 1.00 52.24 ? 194 TYR A C 1 ATOM 1517 O O . TYR A 1 193 ? -26.737 -30.240 37.374 1.00 49.12 ? 194 TYR A O 1 ATOM 1518 C CB . TYR A 1 193 ? -24.391 -29.514 35.439 1.00 54.55 ? 194 TYR A CB 1 ATOM 1519 C CG . TYR A 1 193 ? -23.774 -28.330 34.727 1.00 59.75 ? 194 TYR A CG 1 ATOM 1520 C CD1 . TYR A 1 193 ? -23.724 -27.081 35.333 1.00 58.79 ? 194 TYR A CD1 1 ATOM 1521 C CD2 . TYR A 1 193 ? -23.237 -28.461 33.453 1.00 61.62 ? 194 TYR A CD2 1 ATOM 1522 C CE1 . TYR A 1 193 ? -23.163 -25.996 34.690 1.00 60.28 ? 194 TYR A CE1 1 ATOM 1523 C CE2 . TYR A 1 193 ? -22.671 -27.380 32.802 1.00 61.79 ? 194 TYR A CE2 1 ATOM 1524 C CZ . TYR A 1 193 ? -22.636 -26.151 33.426 1.00 62.27 ? 194 TYR A CZ 1 ATOM 1525 O OH . TYR A 1 193 ? -22.076 -25.070 32.786 1.00 65.28 ? 194 TYR A OH 1 ATOM 1526 N N . ASN A 1 194 ? -26.710 -31.875 35.834 1.00 55.32 ? 195 ASN A N 1 ATOM 1527 C CA . ASN A 1 194 ? -27.312 -32.856 36.726 1.00 51.10 ? 195 ASN A CA 1 ATOM 1528 C C . ASN A 1 194 ? -26.498 -34.140 36.821 1.00 52.30 ? 195 ASN A C 1 ATOM 1529 O O . ASN A 1 194 ? -26.443 -34.924 35.875 1.00 59.36 ? 195 ASN A O 1 ATOM 1530 C CB . ASN A 1 194 ? -28.735 -33.180 36.271 1.00 58.55 ? 195 ASN A CB 1 ATOM 1531 C CG . ASN A 1 194 ? -29.615 -31.949 36.195 1.00 69.86 ? 195 ASN A CG 1 ATOM 1532 O OD1 . ASN A 1 194 ? -30.195 -31.524 37.194 1.00 70.61 ? 195 ASN A OD1 1 ATOM 1533 N ND2 . ASN A 1 194 ? -29.719 -31.369 35.005 1.00 77.34 ? 195 ASN A ND2 1 ATOM 1534 N N . ILE A 1 195 ? -25.865 -34.347 37.970 1.00 47.28 ? 196 ILE A N 1 ATOM 1535 C CA . ILE A 1 195 ? -25.133 -35.579 38.225 1.00 46.39 ? 196 ILE A CA 1 ATOM 1536 C C . ILE A 1 195 ? -26.028 -36.559 38.974 1.00 51.13 ? 196 ILE A C 1 ATOM 1537 O O . ILE A 1 195 ? -26.263 -36.412 40.175 1.00 45.25 ? 196 ILE A O 1 ATOM 1538 C CB . ILE A 1 195 ? -23.849 -35.326 39.034 1.00 39.90 ? 196 ILE A CB 1 ATOM 1539 C CG1 . ILE A 1 195 ? -23.070 -34.147 38.449 1.00 36.75 ? 196 ILE A CG1 1 ATOM 1540 C CG2 . ILE A 1 195 ? -22.988 -36.576 39.060 1.00 37.74 ? 196 ILE A CG2 1 ATOM 1541 C CD1 . ILE A 1 195 ? -21.772 -33.850 39.176 1.00 32.56 ? 196 ILE A CD1 1 ATOM 1542 N N . ARG A 1 196 ? -26.533 -37.553 38.250 1.00 53.22 ? 197 ARG A N 1 ATOM 1543 C CA . ARG A 1 196 ? -27.459 -38.525 38.813 1.00 57.07 ? 197 ARG A CA 1 ATOM 1544 C C . ARG A 1 196 ? -26.838 -39.916 38.862 1.00 61.52 ? 197 ARG A C 1 ATOM 1545 O O . ARG A 1 196 ? -26.537 -40.508 37.826 1.00 65.12 ? 197 ARG A O 1 ATOM 1546 C CB . ARG A 1 196 ? -28.755 -38.560 37.999 1.00 64.16 ? 197 ARG A CB 1 ATOM 1547 C CG . ARG A 1 196 ? -29.478 -37.224 37.907 1.00 65.71 ? 197 ARG A CG 1 ATOM 1548 C CD . ARG A 1 196 ? -30.035 -36.802 39.256 1.00 69.41 ? 197 ARG A CD 1 ATOM 1549 N NE . ARG A 1 196 ? -30.831 -35.580 39.165 1.00 71.18 ? 197 ARG A NE 1 ATOM 1550 C CZ . ARG A 1 196 ? -30.347 -34.357 39.359 1.00 69.24 ? 197 ARG A CZ 1 ATOM 1551 N NH1 . ARG A 1 196 ? -29.066 -34.188 39.656 1.00 66.44 ? 197 ARG A NH1 1 ATOM 1552 N NH2 . ARG A 1 196 ? -31.146 -33.303 39.256 1.00 65.91 ? 197 ARG A NH2 1 ATOM 1553 N N . LEU A 1 197 ? -26.649 -40.435 40.071 1.00 58.57 ? 198 LEU A N 1 ATOM 1554 C CA . LEU A 1 197 ? -26.085 -41.766 40.251 1.00 56.98 ? 198 LEU A CA 1 ATOM 1555 C C . LEU A 1 197 ? -27.058 -42.671 40.996 1.00 61.17 ? 198 LEU A C 1 ATOM 1556 O O . LEU A 1 197 ? -28.023 -42.198 41.594 1.00 66.21 ? 198 LEU A O 1 ATOM 1557 C CB . LEU A 1 197 ? -24.756 -41.691 41.001 1.00 55.30 ? 198 LEU A CB 1 ATOM 1558 C CG . LEU A 1 197 ? -23.684 -40.808 40.361 1.00 56.23 ? 198 LEU A CG 1 ATOM 1559 C CD1 . LEU A 1 197 ? -22.399 -40.875 41.160 1.00 52.88 ? 198 LEU A CD1 1 ATOM 1560 C CD2 . LEU A 1 197 ? -23.445 -41.213 38.916 1.00 55.20 ? 198 LEU A CD2 1 ATOM 1561 N N . GLU A 1 198 ? -26.799 -43.974 40.957 1.00 63.21 ? 199 GLU A N 1 ATOM 1562 C CA . GLU A 1 198 ? -27.662 -44.943 41.620 1.00 71.04 ? 199 GLU A CA 1 ATOM 1563 C C . GLU A 1 198 ? -27.587 -44.817 43.137 1.00 75.74 ? 199 GLU A C 1 ATOM 1564 O O . GLU A 1 198 ? -26.633 -44.259 43.678 1.00 75.50 ? 199 GLU A O 1 ATOM 1565 C CB . GLU A 1 198 ? -27.297 -46.365 41.195 1.00 78.75 ? 199 GLU A CB 1 ATOM 1566 C CG . GLU A 1 198 ? -27.860 -46.770 39.846 1.00 85.85 ? 199 GLU A CG 1 ATOM 1567 C CD . GLU A 1 198 ? -27.412 -48.153 39.423 1.00 100.32 ? 199 GLU A CD 1 ATOM 1568 O OE1 . GLU A 1 198 ? -26.339 -48.261 38.795 1.00 102.43 ? 199 GLU A OE1 1 ATOM 1569 O OE2 . GLU A 1 198 ? -28.130 -49.131 39.721 1.00 109.19 ? 199 GLU A OE2 1 ATOM 1570 N N . GLU A 1 199 ? -28.604 -45.339 43.815 1.00 80.22 ? 200 GLU A N 1 ATOM 1571 C CA . GLU A 1 199 ? -28.663 -45.297 45.270 1.00 81.96 ? 200 GLU A CA 1 ATOM 1572 C C . GLU A 1 199 ? -27.534 -46.123 45.875 1.00 79.17 ? 200 GLU A C 1 ATOM 1573 O O . GLU A 1 199 ? -27.318 -47.271 45.486 1.00 86.79 ? 200 GLU A O 1 ATOM 1574 C CB . GLU A 1 199 ? -30.016 -45.809 45.769 1.00 94.84 ? 200 GLU A CB 1 ATOM 1575 C CG . GLU A 1 199 ? -30.442 -45.243 47.114 1.00 98.14 ? 200 GLU A CG 1 ATOM 1576 C CD . GLU A 1 199 ? -31.133 -43.899 46.986 1.00 102.17 ? 200 GLU A CD 1 ATOM 1577 O OE1 . GLU A 1 199 ? -31.972 -43.747 46.073 1.00 105.14 ? 200 GLU A OE1 1 ATOM 1578 O OE2 . GLU A 1 199 ? -30.835 -42.993 47.793 1.00 101.81 ? 200 GLU A OE2 1 ATOM 1579 N N . GLY A 1 200 ? -26.815 -45.533 46.823 1.00 75.45 ? 201 GLY A N 1 ATOM 1580 C CA . GLY A 1 200 ? -25.714 -46.215 47.477 1.00 76.50 ? 201 GLY A CA 1 ATOM 1581 C C . GLY A 1 200 ? -24.379 -45.545 47.218 1.00 74.37 ? 201 GLY A C 1 ATOM 1582 O O . GLY A 1 200 ? -23.367 -45.900 47.823 1.00 80.08 ? 201 GLY A O 1 ATOM 1583 N N . PHE A 1 201 ? -24.380 -44.571 46.315 1.00 68.39 ? 202 PHE A N 1 ATOM 1584 C CA . PHE A 1 201 ? -23.163 -43.849 45.966 1.00 67.06 ? 202 PHE A CA 1 ATOM 1585 C C . PHE A 1 201 ? -23.164 -42.425 46.508 1.00 69.42 ? 202 PHE A C 1 ATOM 1586 O O . PHE A 1 201 ? -24.218 -41.810 46.674 1.00 72.95 ? 202 PHE A O 1 ATOM 1587 C CB . PHE A 1 201 ? -22.973 -43.821 44.449 1.00 61.60 ? 202 PHE A CB 1 ATOM 1588 C CG . PHE A 1 201 ? -22.642 -45.158 43.856 1.00 64.40 ? 202 PHE A CG 1 ATOM 1589 C CD1 . PHE A 1 201 ? -21.325 -45.568 43.733 1.00 62.82 ? 202 PHE A CD1 1 ATOM 1590 C CD2 . PHE A 1 201 ? -23.647 -46.004 43.419 1.00 72.15 ? 202 PHE A CD2 1 ATOM 1591 C CE1 . PHE A 1 201 ? -21.017 -46.799 43.186 1.00 67.26 ? 202 PHE A CE1 1 ATOM 1592 C CE2 . PHE A 1 201 ? -23.346 -47.236 42.872 1.00 75.45 ? 202 PHE A CE2 1 ATOM 1593 C CZ . PHE A 1 201 ? -22.029 -47.634 42.755 1.00 73.84 ? 202 PHE A CZ 1 ATOM 1594 N N . SER A 1 202 ? -21.971 -41.909 46.782 1.00 68.45 ? 203 SER A N 1 ATOM 1595 C CA . SER A 1 202 ? -21.807 -40.531 47.221 1.00 64.75 ? 203 SER A CA 1 ATOM 1596 C C . SER A 1 202 ? -20.918 -39.775 46.243 1.00 64.18 ? 203 SER A C 1 ATOM 1597 O O . SER A 1 202 ? -19.850 -40.257 45.858 1.00 66.94 ? 203 SER A O 1 ATOM 1598 C CB . SER A 1 202 ? -21.220 -40.477 48.632 1.00 68.07 ? 203 SER A CB 1 ATOM 1599 O OG . SER A 1 202 ? -22.103 -41.063 49.572 1.00 79.10 ? 203 SER A OG 1 ATOM 1600 N N . ILE A 1 203 ? -21.372 -38.591 45.845 1.00 59.89 ? 204 ILE A N 1 ATOM 1601 C CA . ILE A 1 203 ? -20.677 -37.777 44.856 1.00 50.35 ? 204 ILE A CA 1 ATOM 1602 C C . ILE A 1 203 ? -19.741 -36.769 45.514 1.00 48.79 ? 204 ILE A C 1 ATOM 1603 O O . ILE A 1 203 ? -20.105 -36.118 46.493 1.00 47.70 ? 204 ILE A O 1 ATOM 1604 C CB . ILE A 1 203 ? -21.677 -37.020 43.959 1.00 42.33 ? 204 ILE A CB 1 ATOM 1605 C CG1 . ILE A 1 203 ? -22.728 -37.983 43.405 1.00 49.58 ? 204 ILE A CG1 1 ATOM 1606 C CG2 . ILE A 1 203 ? -20.954 -36.290 42.835 1.00 37.96 ? 204 ILE A CG2 1 ATOM 1607 C CD1 . ILE A 1 203 ? -23.760 -37.318 42.524 1.00 51.64 ? 204 ILE A CD1 1 ATOM 1608 N N . THR A 1 204 ? -18.535 -36.644 44.970 1.00 48.88 ? 205 THR A N 1 ATOM 1609 C CA . THR A 1 204 ? -17.568 -35.671 45.464 1.00 49.12 ? 205 THR A CA 1 ATOM 1610 C C . THR A 1 204 ? -17.179 -34.698 44.354 1.00 52.28 ? 205 THR A C 1 ATOM 1611 O O . THR A 1 204 ? -16.910 -35.111 43.230 1.00 55.76 ? 205 THR A O 1 ATOM 1612 C CB . THR A 1 204 ? -16.307 -36.361 46.011 1.00 47.69 ? 205 THR A CB 1 ATOM 1613 O OG1 . THR A 1 204 ? -16.658 -37.179 47.134 1.00 51.64 ? 205 THR A OG1 1 ATOM 1614 C CG2 . THR A 1 204 ? -15.280 -35.331 46.444 1.00 49.72 ? 205 THR A CG2 1 ATOM 1615 N N . LEU A 1 205 ? -17.153 -33.408 44.672 1.00 49.15 ? 206 LEU A N 1 ATOM 1616 C CA . LEU A 1 205 ? -16.842 -32.382 43.682 1.00 42.26 ? 206 LEU A CA 1 ATOM 1617 C C . LEU A 1 205 ? -15.474 -31.747 43.933 1.00 45.36 ? 206 LEU A C 1 ATOM 1618 O O . LEU A 1 205 ? -15.158 -31.361 45.058 1.00 57.89 ? 206 LEU A O 1 ATOM 1619 C CB . LEU A 1 205 ? -17.929 -31.305 43.681 1.00 34.15 ? 206 LEU A CB 1 ATOM 1620 C CG . LEU A 1 205 ? -19.370 -31.813 43.575 1.00 34.61 ? 206 LEU A CG 1 ATOM 1621 C CD1 . LEU A 1 205 ? -20.361 -30.658 43.621 1.00 38.33 ? 206 LEU A CD1 1 ATOM 1622 C CD2 . LEU A 1 205 ? -19.564 -32.637 42.312 1.00 33.09 ? 206 LEU A CD2 1 ATOM 1623 N N . ASP A 1 206 ? -14.665 -31.644 42.881 1.00 42.01 ? 207 ASP A N 1 ATOM 1624 C CA . ASP A 1 206 ? -13.343 -31.028 42.989 1.00 41.96 ? 207 ASP A CA 1 ATOM 1625 C C . ASP A 1 206 ? -13.160 -29.883 41.999 1.00 50.24 ? 207 ASP A C 1 ATOM 1626 O O . ASP A 1 206 ? -13.117 -30.102 40.791 1.00 57.59 ? 207 ASP A O 1 ATOM 1627 C CB . ASP A 1 206 ? -12.241 -32.067 42.763 1.00 50.90 ? 207 ASP A CB 1 ATOM 1628 C CG . ASP A 1 206 ? -12.190 -33.116 43.852 1.00 56.47 ? 207 ASP A CG 1 ATOM 1629 O OD1 . ASP A 1 206 ? -11.569 -32.852 44.902 1.00 53.52 ? 207 ASP A OD1 1 ATOM 1630 O OD2 . ASP A 1 206 ? -12.761 -34.209 43.651 1.00 61.84 ? 207 ASP A OD2 1 ATOM 1631 N N . PHE A 1 207 ? -13.042 -28.663 42.509 1.00 53.45 ? 208 PHE A N 1 ATOM 1632 C CA . PHE A 1 207 ? -12.745 -27.523 41.651 1.00 51.28 ? 208 PHE A CA 1 ATOM 1633 C C . PHE A 1 207 ? -11.295 -27.595 41.181 1.00 49.91 ? 208 PHE A C 1 ATOM 1634 O O . PHE A 1 207 ? -10.369 -27.402 41.969 1.00 50.52 ? 208 PHE A O 1 ATOM 1635 C CB . PHE A 1 207 ? -13.013 -26.208 42.384 1.00 56.79 ? 208 PHE A CB 1 ATOM 1636 C CG . PHE A 1 207 ? -14.470 -25.949 42.647 1.00 55.55 ? 208 PHE A CG 1 ATOM 1637 C CD1 . PHE A 1 207 ? -15.078 -26.426 43.797 1.00 50.72 ? 208 PHE A CD1 1 ATOM 1638 C CD2 . PHE A 1 207 ? -15.231 -25.229 41.740 1.00 51.28 ? 208 PHE A CD2 1 ATOM 1639 C CE1 . PHE A 1 207 ? -16.419 -26.189 44.039 1.00 45.07 ? 208 PHE A CE1 1 ATOM 1640 C CE2 . PHE A 1 207 ? -16.572 -24.987 41.976 1.00 49.68 ? 208 PHE A CE2 1 ATOM 1641 C CZ . PHE A 1 207 ? -17.167 -25.468 43.127 1.00 46.53 ? 208 PHE A CZ 1 ATOM 1642 N N . VAL A 1 208 ? -11.100 -27.881 39.897 1.00 52.97 ? 209 VAL A N 1 ATOM 1643 C CA . VAL A 1 208 ? -9.759 -28.099 39.365 1.00 51.46 ? 209 VAL A CA 1 ATOM 1644 C C . VAL A 1 208 ? -9.286 -26.970 38.453 1.00 49.01 ? 209 VAL A C 1 ATOM 1645 O O . VAL A 1 208 ? -10.082 -26.159 37.982 1.00 48.63 ? 209 VAL A O 1 ATOM 1646 C CB . VAL A 1 208 ? -9.677 -29.427 38.583 1.00 48.42 ? 209 VAL A CB 1 ATOM 1647 C CG1 . VAL A 1 208 ? -9.988 -30.601 39.496 1.00 39.65 ? 209 VAL A CG1 1 ATOM 1648 C CG2 . VAL A 1 208 ? -10.625 -29.405 37.394 1.00 51.23 ? 209 VAL A CG2 1 ATOM 1649 N N . GLU A 1 209 ? -7.974 -26.931 38.231 1.00 53.97 ? 210 GLU A N 1 ATOM 1650 C CA . GLU A 1 209 ? -7.334 -25.997 37.306 1.00 60.92 ? 210 GLU A CA 1 ATOM 1651 C C . GLU A 1 209 ? -7.550 -24.525 37.670 1.00 58.89 ? 210 GLU A C 1 ATOM 1652 O O . GLU A 1 209 ? -6.715 -23.924 38.347 1.00 60.12 ? 210 GLU A O 1 ATOM 1653 C CB . GLU A 1 209 ? -7.812 -26.268 35.875 1.00 59.28 ? 210 GLU A CB 1 ATOM 1654 C CG . GLU A 1 209 ? -7.555 -27.699 35.414 1.00 68.57 ? 210 GLU A CG 1 ATOM 1655 C CD . GLU A 1 209 ? -7.900 -27.926 33.955 1.00 73.86 ? 210 GLU A CD 1 ATOM 1656 O OE1 . GLU A 1 209 ? -8.234 -26.943 33.260 1.00 80.04 ? 210 GLU A OE1 1 ATOM 1657 O OE2 . GLU A 1 209 ? -7.834 -29.089 33.503 1.00 71.02 ? 210 GLU A OE2 1 ATOM 1658 N N . SER A 1 210 ? -8.657 -23.942 37.222 1.00 53.99 ? 211 SER A N 1 ATOM 1659 C CA . SER A 1 210 ? -8.870 -22.508 37.407 1.00 47.62 ? 211 SER A CA 1 ATOM 1660 C C . SER A 1 210 ? -10.302 -22.161 37.808 1.00 41.57 ? 211 SER A C 1 ATOM 1661 O O . SER A 1 210 ? -11.250 -22.848 37.430 1.00 47.45 ? 211 SER A O 1 ATOM 1662 C CB . SER A 1 210 ? -8.494 -21.754 36.129 1.00 51.91 ? 211 SER A CB 1 ATOM 1663 O OG . SER A 1 210 ? -8.556 -20.352 36.324 1.00 66.07 ? 211 SER A OG 1 ATOM 1664 N N . PHE A 1 211 ? -10.445 -21.087 38.579 1.00 40.78 ? 212 PHE A N 1 ATOM 1665 C CA . PHE A 1 211 ? -11.756 -20.593 38.986 1.00 40.19 ? 212 PHE A CA 1 ATOM 1666 C C . PHE A 1 211 ? -11.787 -19.072 38.914 1.00 41.17 ? 212 PHE A C 1 ATOM 1667 O O . PHE A 1 211 ? -11.092 -18.393 39.667 1.00 43.12 ? 212 PHE A O 1 ATOM 1668 C CB . PHE A 1 211 ? -12.104 -21.065 40.401 1.00 36.98 ? 212 PHE A CB 1 ATOM 1669 C CG . PHE A 1 211 ? -13.524 -20.777 40.806 1.00 38.63 ? 212 PHE A CG 1 ATOM 1670 C CD1 . PHE A 1 211 ? -13.860 -19.575 41.411 1.00 38.36 ? 212 PHE A CD1 1 ATOM 1671 C CD2 . PHE A 1 211 ? -14.523 -21.711 40.584 1.00 38.24 ? 212 PHE A CD2 1 ATOM 1672 C CE1 . PHE A 1 211 ? -15.165 -19.311 41.781 1.00 37.98 ? 212 PHE A CE1 1 ATOM 1673 C CE2 . PHE A 1 211 ? -15.830 -21.453 40.953 1.00 36.22 ? 212 PHE A CE2 1 ATOM 1674 C CZ . PHE A 1 211 ? -16.151 -20.252 41.552 1.00 39.73 ? 212 PHE A CZ 1 ATOM 1675 N N . ASP A 1 212 ? -12.592 -18.541 38.001 1.00 45.91 ? 213 ASP A N 1 ATOM 1676 C CA . ASP A 1 212 ? -12.701 -17.099 37.829 1.00 47.12 ? 213 ASP A CA 1 ATOM 1677 C C . ASP A 1 212 ? -14.129 -16.707 37.478 1.00 47.54 ? 213 ASP A C 1 ATOM 1678 O O . ASP A 1 212 ? -14.455 -16.481 36.315 1.00 51.83 ? 213 ASP A O 1 ATOM 1679 C CB . ASP A 1 212 ? -11.731 -16.609 36.749 1.00 47.45 ? 213 ASP A CB 1 ATOM 1680 C CG . ASP A 1 212 ? -11.714 -15.096 36.619 1.00 57.34 ? 213 ASP A CG 1 ATOM 1681 O OD1 . ASP A 1 212 ? -12.111 -14.408 37.582 1.00 66.92 ? 213 ASP A OD1 1 ATOM 1682 O OD2 . ASP A 1 212 ? -11.298 -14.594 35.554 1.00 61.95 ? 213 ASP A OD2 1 ATOM 1683 N N . VAL A 1 213 ? -14.981 -16.648 38.496 1.00 46.50 ? 214 VAL A N 1 ATOM 1684 C CA . VAL A 1 213 ? -16.354 -16.193 38.328 1.00 44.67 ? 214 VAL A CA 1 ATOM 1685 C C . VAL A 1 213 ? -16.448 -14.751 38.812 1.00 42.88 ? 214 VAL A C 1 ATOM 1686 O O . VAL A 1 213 ? -15.871 -14.406 39.842 1.00 45.75 ? 214 VAL A O 1 ATOM 1687 C CB . VAL A 1 213 ? -17.344 -17.091 39.094 1.00 44.27 ? 214 VAL A CB 1 ATOM 1688 C CG1 . VAL A 1 213 ? -18.770 -16.585 38.934 1.00 38.38 ? 214 VAL A CG1 1 ATOM 1689 C CG2 . VAL A 1 213 ? -17.229 -18.527 38.607 1.00 45.53 ? 214 VAL A CG2 1 ATOM 1690 N N . GLU A 1 214 ? -17.157 -13.912 38.060 1.00 44.59 ? 215 GLU A N 1 ATOM 1691 C CA . GLU A 1 214 ? -17.201 -12.479 38.336 1.00 47.24 ? 215 GLU A CA 1 ATOM 1692 C C . GLU A 1 214 ? -17.615 -12.175 39.764 1.00 51.88 ? 215 GLU A C 1 ATOM 1693 O O . GLU A 1 214 ? -18.749 -12.434 40.165 1.00 46.21 ? 215 GLU A O 1 ATOM 1694 C CB . GLU A 1 214 ? -18.151 -11.766 37.371 1.00 43.30 ? 215 GLU A CB 1 ATOM 1695 C CG . GLU A 1 214 ? -18.311 -10.279 37.666 1.00 47.42 ? 215 GLU A CG 1 ATOM 1696 C CD . GLU A 1 214 ? -19.058 -9.536 36.576 1.00 55.16 ? 215 GLU A CD 1 ATOM 1697 O OE1 . GLU A 1 214 ? -19.309 -8.323 36.743 1.00 51.56 ? 215 GLU A OE1 1 ATOM 1698 O OE2 . GLU A 1 214 ? -19.389 -10.164 35.551 1.00 62.24 ? 215 GLU A OE2 1 ATOM 1699 N N . MET A 1 215 ? -16.671 -11.641 40.529 1.00 60.93 ? 216 MET A N 1 ATOM 1700 C CA . MET A 1 215 ? -16.950 -11.180 41.877 1.00 70.50 ? 216 MET A CA 1 ATOM 1701 C C . MET A 1 215 ? -16.641 -9.699 42.014 1.00 79.87 ? 216 MET A C 1 ATOM 1702 O O . MET A 1 215 ? -15.549 -9.246 41.647 1.00 91.31 ? 216 MET A O 1 ATOM 1703 C CB . MET A 1 215 ? -16.143 -11.970 42.909 1.00 78.61 ? 216 MET A CB 1 ATOM 1704 C CG . MET A 1 215 ? -16.081 -11.273 44.259 1.00 84.62 ? 216 MET A CG 1 ATOM 1705 S SD . MET A 1 215 ? -15.393 -12.290 45.575 1.00 64.91 ? 216 MET A SD 1 ATOM 1706 C CE . MET A 1 215 ? -15.849 -11.321 47.010 1.00 55.43 ? 216 MET A CE 1 ATOM 1707 N N . HIS A 1 216 ? -17.603 -8.946 42.535 1.00 77.86 ? 217 HIS A N 1 ATOM 1708 C CA . HIS A 1 216 ? -17.356 -7.556 42.870 1.00 94.23 ? 217 HIS A CA 1 ATOM 1709 C C . HIS A 1 216 ? -17.542 -7.374 44.380 1.00 96.75 ? 217 HIS A C 1 ATOM 1710 O O . HIS A 1 216 ? -18.391 -8.038 44.978 1.00 91.09 ? 217 HIS A O 1 ATOM 1711 C CB . HIS A 1 216 ? -18.273 -6.627 42.062 1.00 102.51 ? 217 HIS A CB 1 ATOM 1712 C CG . HIS A 1 216 ? -17.755 -6.313 40.688 1.00 106.34 ? 217 HIS A CG 1 ATOM 1713 N ND1 . HIS A 1 216 ? -18.289 -6.869 39.545 1.00 106.04 ? 217 HIS A ND1 1 ATOM 1714 C CD2 . HIS A 1 216 ? -16.740 -5.515 40.275 1.00 113.36 ? 217 HIS A CD2 1 ATOM 1715 C CE1 . HIS A 1 216 ? -17.628 -6.430 38.490 1.00 111.33 ? 217 HIS A CE1 1 ATOM 1716 N NE2 . HIS A 1 216 ? -16.682 -5.606 38.904 1.00 116.71 ? 217 HIS A NE2 1 ATOM 1717 N N . PRO A 1 217 ? -16.717 -6.503 45.002 1.00 96.03 ? 218 PRO A N 1 ATOM 1718 C CA . PRO A 1 217 ? -16.631 -6.190 46.440 1.00 98.99 ? 218 PRO A CA 1 ATOM 1719 C C . PRO A 1 217 ? -17.974 -6.139 47.197 1.00 108.72 ? 218 PRO A C 1 ATOM 1720 O O . PRO A 1 217 ? -19.016 -5.767 46.647 1.00 108.60 ? 218 PRO A O 1 ATOM 1721 C CB . PRO A 1 217 ? -15.946 -4.803 46.457 1.00 104.64 ? 218 PRO A CB 1 ATOM 1722 C CG . PRO A 1 217 ? -15.602 -4.471 44.978 1.00 94.27 ? 218 PRO A CG 1 ATOM 1723 C CD . PRO A 1 217 ? -15.691 -5.772 44.241 1.00 90.35 ? 218 PRO A CD 1 ATOM 1724 N N . GLU A 1 218 ? -17.908 -6.542 48.467 1.00 117.35 ? 219 GLU A N 1 ATOM 1725 C CA . GLU A 1 218 ? -18.983 -6.431 49.464 1.00 118.56 ? 219 GLU A CA 1 ATOM 1726 C C . GLU A 1 218 ? -20.429 -6.574 48.965 1.00 123.15 ? 219 GLU A C 1 ATOM 1727 O O . GLU A 1 218 ? -21.347 -5.992 49.541 1.00 129.98 ? 219 GLU A O 1 ATOM 1728 C CB . GLU A 1 218 ? -18.838 -5.095 50.219 1.00 119.88 ? 219 GLU A CB 1 ATOM 1729 C CG . GLU A 1 218 ? -18.818 -3.834 49.353 1.00 117.96 ? 219 GLU A CG 1 ATOM 1730 C CD . GLU A 1 218 ? -18.185 -2.645 50.063 1.00 124.63 ? 219 GLU A CD 1 ATOM 1731 O OE1 . GLU A 1 218 ? -17.254 -2.036 49.493 1.00 121.49 ? 219 GLU A OE1 1 ATOM 1732 O OE2 . GLU A 1 218 ? -18.616 -2.320 51.190 1.00 129.87 ? 219 GLU A OE2 1 ATOM 1733 N N . ALA A 1 219 ? -20.626 -7.356 47.910 1.00 113.79 ? 220 ALA A N 1 ATOM 1734 C CA . ALA A 1 219 ? -21.966 -7.706 47.452 1.00 102.94 ? 220 ALA A CA 1 ATOM 1735 C C . ALA A 1 219 ? -22.022 -9.201 47.177 1.00 94.17 ? 220 ALA A C 1 ATOM 1736 O O . ALA A 1 219 ? -23.035 -9.721 46.703 1.00 92.46 ? 220 ALA A O 1 ATOM 1737 C CB . ALA A 1 219 ? -22.343 -6.914 46.210 1.00 95.75 ? 220 ALA A CB 1 ATOM 1738 N N . GLN A 1 220 ? -20.922 -9.879 47.496 1.00 85.69 ? 221 GLN A N 1 ATOM 1739 C CA . GLN A 1 220 ? -20.743 -11.294 47.187 1.00 81.96 ? 221 GLN A CA 1 ATOM 1740 C C . GLN A 1 220 ? -20.935 -11.551 45.697 1.00 86.64 ? 221 GLN A C 1 ATOM 1741 O O . GLN A 1 220 ? -20.167 -11.051 44.875 1.00 90.29 ? 221 GLN A O 1 ATOM 1742 C CB . GLN A 1 220 ? -21.699 -12.162 48.012 1.00 81.61 ? 221 GLN A CB 1 ATOM 1743 C CG . GLN A 1 220 ? -21.123 -12.660 49.335 1.00 82.76 ? 221 GLN A CG 1 ATOM 1744 C CD . GLN A 1 220 ? -21.095 -11.598 50.423 1.00 92.35 ? 221 GLN A CD 1 ATOM 1745 O OE1 . GLN A 1 220 ? -21.047 -10.399 50.146 1.00 94.62 ? 221 GLN A OE1 1 ATOM 1746 N NE2 . GLN A 1 220 ? -21.127 -12.040 51.675 1.00 97.41 ? 221 GLN A NE2 1 ATOM 1747 N N . CYS A 1 221 ? -21.959 -12.321 45.346 1.00 79.41 ? 222 CYS A N 1 ATOM 1748 C CA . CYS A 1 221 ? -22.142 -12.735 43.959 1.00 69.02 ? 222 CYS A CA 1 ATOM 1749 C C . CYS A 1 221 ? -23.523 -12.395 43.397 1.00 64.82 ? 222 CYS A C 1 ATOM 1750 O O . CYS A 1 221 ? -24.348 -13.286 43.193 1.00 62.93 ? 222 CYS A O 1 ATOM 1751 C CB . CYS A 1 221 ? -21.893 -14.238 43.835 1.00 65.83 ? 222 CYS A CB 1 ATOM 1752 S SG . CYS A 1 221 ? -20.347 -14.786 44.599 1.00 52.29 ? 222 CYS A SG 1 ATOM 1753 N N . PRO A 1 222 ? -23.774 -11.102 43.132 1.00 63.56 ? 223 PRO A N 1 ATOM 1754 C CA . PRO A 1 222 ? -25.057 -10.671 42.572 1.00 62.95 ? 223 PRO A CA 1 ATOM 1755 C C . PRO A 1 222 ? -25.075 -10.702 41.043 1.00 63.55 ? 223 PRO A C 1 ATOM 1756 O O . PRO A 1 222 ? -26.140 -10.584 40.440 1.00 63.69 ? 223 PRO A O 1 ATOM 1757 C CB . PRO A 1 222 ? -25.183 -9.240 43.085 1.00 63.59 ? 223 PRO A CB 1 ATOM 1758 C CG . PRO A 1 222 ? -23.772 -8.753 43.104 1.00 62.98 ? 223 PRO A CG 1 ATOM 1759 C CD . PRO A 1 222 ? -22.903 -9.950 43.434 1.00 64.42 ? 223 PRO A CD 1 ATOM 1760 N N . TYR A 1 223 ? -23.904 -10.858 40.432 1.00 60.75 ? 224 TYR A N 1 ATOM 1761 C CA . TYR A 1 223 ? -23.785 -10.868 38.978 1.00 55.35 ? 224 TYR A CA 1 ATOM 1762 C C . TYR A 1 223 ? -23.873 -12.283 38.417 1.00 51.24 ? 224 TYR A C 1 ATOM 1763 O O . TYR A 1 223 ? -24.936 -12.728 37.980 1.00 48.46 ? 224 TYR A O 1 ATOM 1764 C CB . TYR A 1 223 ? -22.468 -10.219 38.550 1.00 47.42 ? 224 TYR A CB 1 ATOM 1765 C CG . TYR A 1 223 ? -22.308 -8.798 39.034 1.00 55.13 ? 224 TYR A CG 1 ATOM 1766 C CD1 . TYR A 1 223 ? -22.861 -7.737 38.330 1.00 61.52 ? 224 TYR A CD1 1 ATOM 1767 C CD2 . TYR A 1 223 ? -21.606 -8.517 40.198 1.00 58.54 ? 224 TYR A CD2 1 ATOM 1768 C CE1 . TYR A 1 223 ? -22.719 -6.436 38.771 1.00 64.98 ? 224 TYR A CE1 1 ATOM 1769 C CE2 . TYR A 1 223 ? -21.459 -7.220 40.646 1.00 63.50 ? 224 TYR A CE2 1 ATOM 1770 C CZ . TYR A 1 223 ? -22.017 -6.183 39.930 1.00 62.07 ? 224 TYR A CZ 1 ATOM 1771 O OH . TYR A 1 223 ? -21.872 -4.889 40.373 1.00 67.07 ? 224 TYR A OH 1 ATOM 1772 N N . ASP A 1 224 ? -22.743 -12.980 38.421 1.00 45.39 ? 225 ASP A N 1 ATOM 1773 C CA . ASP A 1 224 ? -22.709 -14.375 38.011 1.00 43.44 ? 225 ASP A CA 1 ATOM 1774 C C . ASP A 1 224 ? -22.774 -15.255 39.251 1.00 44.28 ? 225 ASP A C 1 ATOM 1775 O O . ASP A 1 224 ? -22.121 -14.970 40.254 1.00 49.03 ? 225 ASP A O 1 ATOM 1776 C CB . ASP A 1 224 ? -21.450 -14.675 37.197 1.00 45.67 ? 225 ASP A CB 1 ATOM 1777 C CG . ASP A 1 224 ? -21.245 -13.691 36.063 1.00 48.26 ? 225 ASP A CG 1 ATOM 1778 O OD1 . ASP A 1 224 ? -22.239 -13.084 35.613 1.00 43.49 ? 225 ASP A OD1 1 ATOM 1779 O OD2 . ASP A 1 224 ? -20.090 -13.524 35.621 1.00 52.83 ? 225 ASP A OD2 1 ATOM 1780 N N . SER A 1 225 ? -23.567 -16.318 39.186 1.00 46.97 ? 226 SER A N 1 ATOM 1781 C CA . SER A 1 225 ? -23.802 -17.150 40.358 1.00 45.55 ? 226 SER A CA 1 ATOM 1782 C C . SER A 1 225 ? -23.671 -18.639 40.064 1.00 42.47 ? 226 SER A C 1 ATOM 1783 O O . SER A 1 225 ? -24.359 -19.180 39.197 1.00 34.14 ? 226 SER A O 1 ATOM 1784 C CB . SER A 1 225 ? -25.187 -16.861 40.940 1.00 47.39 ? 226 SER A CB 1 ATOM 1785 O OG . SER A 1 225 ? -25.401 -17.601 42.130 1.00 56.08 ? 226 SER A OG 1 ATOM 1786 N N . LEU A 1 226 ? -22.781 -19.291 40.804 1.00 49.25 ? 227 LEU A N 1 ATOM 1787 C CA . LEU A 1 226 ? -22.599 -20.733 40.723 1.00 42.25 ? 227 LEU A CA 1 ATOM 1788 C C . LEU A 1 226 ? -23.076 -21.389 42.013 1.00 45.76 ? 227 LEU A C 1 ATOM 1789 O O . LEU A 1 226 ? -22.426 -21.275 43.052 1.00 54.09 ? 227 LEU A O 1 ATOM 1790 C CB . LEU A 1 226 ? -21.132 -21.076 40.464 1.00 39.27 ? 227 LEU A CB 1 ATOM 1791 C CG . LEU A 1 226 ? -20.787 -22.556 40.319 1.00 39.29 ? 227 LEU A CG 1 ATOM 1792 C CD1 . LEU A 1 226 ? -21.474 -23.138 39.098 1.00 46.38 ? 227 LEU A CD1 1 ATOM 1793 C CD2 . LEU A 1 226 ? -19.283 -22.741 40.230 1.00 44.70 ? 227 LEU A CD2 1 ATOM 1794 N N . LYS A 1 227 ? -24.214 -22.071 41.950 1.00 43.61 ? 228 LYS A N 1 ATOM 1795 C CA . LYS A 1 227 ? -24.796 -22.672 43.145 1.00 43.90 ? 228 LYS A CA 1 ATOM 1796 C C . LYS A 1 227 ? -24.945 -24.182 43.013 1.00 46.33 ? 228 LYS A C 1 ATOM 1797 O O . LYS A 1 227 ? -25.149 -24.706 41.917 1.00 48.81 ? 228 LYS A O 1 ATOM 1798 C CB . LYS A 1 227 ? -26.153 -22.037 43.447 1.00 40.41 ? 228 LYS A CB 1 ATOM 1799 C CG . LYS A 1 227 ? -26.089 -20.533 43.638 1.00 40.52 ? 228 LYS A CG 1 ATOM 1800 C CD . LYS A 1 227 ? -27.465 -19.907 43.533 1.00 53.03 ? 228 LYS A CD 1 ATOM 1801 C CE . LYS A 1 227 ? -28.348 -20.321 44.693 1.00 59.44 ? 228 LYS A CE 1 ATOM 1802 N NZ . LYS A 1 227 ? -27.773 -19.895 45.999 1.00 71.35 ? 228 LYS A NZ 1 ATOM 1803 N N . ILE A 1 228 ? -24.841 -24.872 44.144 1.00 42.58 ? 229 ILE A N 1 ATOM 1804 C CA . ILE A 1 228 ? -24.947 -26.325 44.184 1.00 38.97 ? 229 ILE A CA 1 ATOM 1805 C C . ILE A 1 228 ? -26.103 -26.755 45.082 1.00 42.68 ? 229 ILE A C 1 ATOM 1806 O O . ILE A 1 228 ? -26.264 -26.240 46.186 1.00 53.66 ? 229 ILE A O 1 ATOM 1807 C CB . ILE A 1 228 ? -23.641 -26.970 44.690 1.00 43.55 ? 229 ILE A CB 1 ATOM 1808 C CG1 . ILE A 1 228 ? -22.453 -26.504 43.845 1.00 42.48 ? 229 ILE A CG1 1 ATOM 1809 C CG2 . ILE A 1 228 ? -23.749 -28.486 44.678 1.00 45.16 ? 229 ILE A CG2 1 ATOM 1810 C CD1 . ILE A 1 228 ? -21.122 -27.058 44.307 1.00 35.68 ? 229 ILE A CD1 1 ATOM 1811 N N . GLN A 1 229 ? -26.904 -27.701 44.602 1.00 41.21 ? 230 GLN A N 1 ATOM 1812 C CA . GLN A 1 229 ? -28.053 -28.192 45.353 1.00 46.83 ? 230 GLN A CA 1 ATOM 1813 C C . GLN A 1 229 ? -28.055 -29.715 45.463 1.00 45.68 ? 230 GLN A C 1 ATOM 1814 O O . GLN A 1 229 ? -27.925 -30.425 44.460 1.00 48.96 ? 230 GLN A O 1 ATOM 1815 C CB . GLN A 1 229 ? -29.357 -27.721 44.702 1.00 48.36 ? 230 GLN A CB 1 ATOM 1816 C CG . GLN A 1 229 ? -30.619 -28.254 45.369 1.00 53.18 ? 230 GLN A CG 1 ATOM 1817 C CD . GLN A 1 229 ? -31.121 -27.360 46.487 1.00 58.73 ? 230 GLN A CD 1 ATOM 1818 O OE1 . GLN A 1 229 ? -31.222 -26.144 46.327 1.00 63.79 ? 230 GLN A OE1 1 ATOM 1819 N NE2 . GLN A 1 229 ? -31.442 -27.961 47.628 1.00 64.60 ? 230 GLN A NE2 1 ATOM 1820 N N . THR A 1 230 ? -28.194 -30.207 46.690 1.00 41.73 ? 231 THR A N 1 ATOM 1821 C CA . THR A 1 230 ? -28.383 -31.631 46.940 1.00 40.30 ? 231 THR A CA 1 ATOM 1822 C C . THR A 1 230 ? -29.700 -31.835 47.676 1.00 45.43 ? 231 THR A C 1 ATOM 1823 O O . THR A 1 230 ? -30.411 -30.873 47.964 1.00 48.35 ? 231 THR A O 1 ATOM 1824 C CB . THR A 1 230 ? -27.232 -32.238 47.768 1.00 55.64 ? 231 THR A CB 1 ATOM 1825 O OG1 . THR A 1 230 ? -27.288 -31.745 49.113 1.00 52.66 ? 231 THR A OG1 1 ATOM 1826 C CG2 . THR A 1 230 ? -25.884 -31.891 47.151 1.00 47.34 ? 231 THR A CG2 1 ATOM 1827 N N . ASP A 1 231 ? -30.023 -33.084 47.989 1.00 47.09 ? 232 ASP A N 1 ATOM 1828 C CA . ASP A 1 231 ? -31.265 -33.379 48.688 1.00 51.66 ? 232 ASP A CA 1 ATOM 1829 C C . ASP A 1 231 ? -31.094 -33.215 50.195 1.00 59.79 ? 232 ASP A C 1 ATOM 1830 O O . ASP A 1 231 ? -32.000 -33.525 50.968 1.00 58.34 ? 232 ASP A O 1 ATOM 1831 C CB . ASP A 1 231 ? -31.748 -34.792 48.358 1.00 70.78 ? 232 ASP A CB 1 ATOM 1832 C CG . ASP A 1 231 ? -30.797 -35.863 48.849 1.00 82.23 ? 232 ASP A CG 1 ATOM 1833 O OD1 . ASP A 1 231 ? -29.582 -35.589 48.933 1.00 85.19 ? 232 ASP A OD1 1 ATOM 1834 O OD2 . ASP A 1 231 ? -31.265 -36.981 49.152 1.00 88.62 ? 232 ASP A OD2 1 ATOM 1835 N N . LYS A 1 232 ? -29.929 -32.721 50.607 1.00 54.62 ? 233 LYS A N 1 ATOM 1836 C CA . LYS A 1 232 ? -29.643 -32.530 52.024 1.00 59.29 ? 233 LYS A CA 1 ATOM 1837 C C . LYS A 1 232 ? -29.389 -31.065 52.367 1.00 60.52 ? 233 LYS A C 1 ATOM 1838 O O . LYS A 1 232 ? -29.761 -30.604 53.446 1.00 67.08 ? 233 LYS A O 1 ATOM 1839 C CB . LYS A 1 232 ? -28.443 -33.380 52.446 1.00 53.68 ? 233 LYS A CB 1 ATOM 1840 C CG . LYS A 1 232 ? -28.702 -34.876 52.398 1.00 61.98 ? 233 LYS A CG 1 ATOM 1841 C CD . LYS A 1 232 ? -27.476 -35.664 52.828 1.00 65.12 ? 233 LYS A CD 1 ATOM 1842 C CE . LYS A 1 232 ? -27.763 -37.157 52.857 1.00 69.11 ? 233 LYS A CE 1 ATOM 1843 N NZ . LYS A 1 232 ? -28.207 -37.667 51.530 1.00 70.26 ? 233 LYS A NZ 1 ATOM 1844 N N . ARG A 1 233 ? -28.759 -30.335 51.450 1.00 49.91 ? 234 ARG A N 1 ATOM 1845 C CA . ARG A 1 233 ? -28.453 -28.927 51.681 1.00 52.52 ? 234 ARG A CA 1 ATOM 1846 C C . ARG A 1 233 ? -28.131 -28.182 50.392 1.00 56.27 ? 234 ARG A C 1 ATOM 1847 O O . ARG A 1 233 ? -28.322 -28.702 49.293 1.00 41.92 ? 234 ARG A O 1 ATOM 1848 C CB . ARG A 1 233 ? -27.278 -28.786 52.649 1.00 60.30 ? 234 ARG A CB 1 ATOM 1849 C CG . ARG A 1 233 ? -25.986 -29.398 52.135 1.00 54.87 ? 234 ARG A CG 1 ATOM 1850 C CD . ARG A 1 233 ? -24.798 -28.945 52.964 1.00 61.12 ? 234 ARG A CD 1 ATOM 1851 N NE . ARG A 1 233 ? -24.582 -27.507 52.853 1.00 61.77 ? 234 ARG A NE 1 ATOM 1852 C CZ . ARG A 1 233 ? -23.561 -26.860 53.403 1.00 63.62 ? 234 ARG A CZ 1 ATOM 1853 N NH1 . ARG A 1 233 ? -22.652 -27.523 54.106 1.00 63.28 ? 234 ARG A NH1 1 ATOM 1854 N NH2 . ARG A 1 233 ? -23.446 -25.549 53.249 1.00 63.98 ? 234 ARG A NH2 1 ATOM 1855 N N . GLU A 1 234 ? -27.638 -26.956 50.545 1.00 58.59 ? 235 GLU A N 1 ATOM 1856 C CA . GLU A 1 234 ? -27.208 -26.145 49.413 1.00 46.49 ? 235 GLU A CA 1 ATOM 1857 C C . GLU A 1 234 ? -25.772 -25.672 49.608 1.00 51.17 ? 235 GLU A C 1 ATOM 1858 O O . GLU A 1 234 ? -25.287 -25.575 50.735 1.00 62.41 ? 235 GLU A O 1 ATOM 1859 C CB . GLU A 1 234 ? -28.132 -24.939 49.223 1.00 43.10 ? 235 GLU A CB 1 ATOM 1860 C CG . GLU A 1 234 ? -29.600 -25.291 49.044 1.00 55.90 ? 235 GLU A CG 1 ATOM 1861 C CD . GLU A 1 234 ? -30.460 -24.078 48.735 1.00 58.45 ? 235 GLU A CD 1 ATOM 1862 O OE1 . GLU A 1 234 ? -30.077 -23.286 47.847 1.00 58.86 ? 235 GLU A OE1 1 ATOM 1863 O OE2 . GLU A 1 234 ? -31.516 -23.913 49.381 1.00 59.93 ? 235 GLU A OE2 1 ATOM 1864 N N . TYR A 1 235 ? -25.097 -25.386 48.501 1.00 49.20 ? 236 TYR A N 1 ATOM 1865 C CA . TYR A 1 235 ? -23.755 -24.818 48.538 1.00 43.67 ? 236 TYR A CA 1 ATOM 1866 C C . TYR A 1 235 ? -23.693 -23.598 47.628 1.00 46.85 ? 236 TYR A C 1 ATOM 1867 O O . TYR A 1 235 ? -24.280 -23.592 46.547 1.00 44.92 ? 236 TYR A O 1 ATOM 1868 C CB . TYR A 1 235 ? -22.708 -25.845 48.105 1.00 47.36 ? 236 TYR A CB 1 ATOM 1869 C CG . TYR A 1 235 ? -22.743 -27.146 48.874 1.00 51.42 ? 236 TYR A CG 1 ATOM 1870 C CD1 . TYR A 1 235 ? -23.540 -28.202 48.451 1.00 51.30 ? 236 TYR A CD1 1 ATOM 1871 C CD2 . TYR A 1 235 ? -21.968 -27.324 50.012 1.00 48.33 ? 236 TYR A CD2 1 ATOM 1872 C CE1 . TYR A 1 235 ? -23.571 -29.396 49.145 1.00 48.66 ? 236 TYR A CE1 1 ATOM 1873 C CE2 . TYR A 1 235 ? -21.992 -28.514 50.713 1.00 46.93 ? 236 TYR A CE2 1 ATOM 1874 C CZ . TYR A 1 235 ? -22.795 -29.546 50.274 1.00 49.97 ? 236 TYR A CZ 1 ATOM 1875 O OH . TYR A 1 235 ? -22.826 -30.733 50.968 1.00 55.11 ? 236 TYR A OH 1 ATOM 1876 N N . GLY A 1 236 ? -22.983 -22.564 48.065 1.00 43.89 ? 237 GLY A N 1 ATOM 1877 C CA . GLY A 1 236 ? -22.815 -21.376 47.250 1.00 41.74 ? 237 GLY A CA 1 ATOM 1878 C C . GLY A 1 236 ? -23.646 -20.198 47.718 1.00 43.44 ? 237 GLY A C 1 ATOM 1879 O O . GLY A 1 236 ? -24.228 -20.242 48.801 1.00 54.16 ? 237 GLY A O 1 ATOM 1880 N N . PRO A 1 237 ? -23.712 -19.133 46.902 1.00 38.96 ? 238 PRO A N 1 ATOM 1881 C CA . PRO A 1 237 ? -23.086 -19.013 45.578 1.00 39.40 ? 238 PRO A CA 1 ATOM 1882 C C . PRO A 1 237 ? -21.569 -18.831 45.630 1.00 48.58 ? 238 PRO A C 1 ATOM 1883 O O . PRO A 1 237 ? -21.066 -18.022 46.410 1.00 54.81 ? 238 PRO A O 1 ATOM 1884 C CB . PRO A 1 237 ? -23.753 -17.766 44.995 1.00 43.58 ? 238 PRO A CB 1 ATOM 1885 C CG . PRO A 1 237 ? -24.086 -16.943 46.187 1.00 47.81 ? 238 PRO A CG 1 ATOM 1886 C CD . PRO A 1 237 ? -24.479 -17.925 47.254 1.00 40.34 ? 238 PRO A CD 1 ATOM 1887 N N . PHE A 1 238 ? -20.856 -19.588 44.801 1.00 44.71 ? 239 PHE A N 1 ATOM 1888 C CA . PHE A 1 238 ? -19.402 -19.501 44.735 1.00 46.65 ? 239 PHE A CA 1 ATOM 1889 C C . PHE A 1 238 ? -18.948 -18.546 43.635 1.00 48.49 ? 239 PHE A C 1 ATOM 1890 O O . PHE A 1 238 ? -19.238 -18.760 42.458 1.00 46.68 ? 239 PHE A O 1 ATOM 1891 C CB . PHE A 1 238 ? -18.786 -20.883 44.500 1.00 44.17 ? 239 PHE A CB 1 ATOM 1892 C CG . PHE A 1 238 ? -19.064 -21.869 45.596 1.00 44.84 ? 239 PHE A CG 1 ATOM 1893 C CD1 . PHE A 1 238 ? -18.390 -21.790 46.804 1.00 41.04 ? 239 PHE A CD1 1 ATOM 1894 C CD2 . PHE A 1 238 ? -19.989 -22.884 45.415 1.00 43.20 ? 239 PHE A CD2 1 ATOM 1895 C CE1 . PHE A 1 238 ? -18.639 -22.698 47.812 1.00 41.61 ? 239 PHE A CE1 1 ATOM 1896 C CE2 . PHE A 1 238 ? -20.243 -23.797 46.422 1.00 43.85 ? 239 PHE A CE2 1 ATOM 1897 C CZ . PHE A 1 238 ? -19.567 -23.703 47.621 1.00 43.90 ? 239 PHE A CZ 1 ATOM 1898 N N . CYS A 1 239 ? -18.243 -17.489 44.026 1.00 52.91 ? 240 CYS A N 1 ATOM 1899 C CA . CYS A 1 239 ? -17.647 -16.564 43.068 1.00 51.55 ? 240 CYS A CA 1 ATOM 1900 C C . CYS A 1 239 ? -16.279 -16.118 43.570 1.00 59.09 ? 240 CYS A C 1 ATOM 1901 O O . CYS A 1 239 ? -15.977 -16.242 44.757 1.00 68.31 ? 240 CYS A O 1 ATOM 1902 C CB . CYS A 1 239 ? -18.544 -15.345 42.839 1.00 39.64 ? 240 CYS A CB 1 ATOM 1903 S SG . CYS A 1 239 ? -20.321 -15.675 42.772 1.00 209.10 ? 240 CYS A SG 1 ATOM 1904 N N . GLY A 1 240 ? -15.453 -15.599 42.668 1.00 52.52 ? 241 GLY A N 1 ATOM 1905 C CA . GLY A 1 240 ? -14.130 -15.131 43.038 1.00 55.22 ? 241 GLY A CA 1 ATOM 1906 C C . GLY A 1 240 ? -13.042 -15.591 42.089 1.00 61.74 ? 241 GLY A C 1 ATOM 1907 O O . GLY A 1 240 ? -13.314 -15.941 40.940 1.00 63.80 ? 241 GLY A O 1 ATOM 1908 N N . LYS A 1 241 ? -11.803 -15.591 42.574 1.00 61.48 ? 242 LYS A N 1 ATOM 1909 C CA . LYS A 1 241 ? -10.654 -15.955 41.751 1.00 64.75 ? 242 LYS A CA 1 ATOM 1910 C C . LYS A 1 241 ? -9.802 -17.047 42.393 1.00 74.33 ? 242 LYS A C 1 ATOM 1911 O O . LYS A 1 241 ? -8.649 -17.248 42.014 1.00 85.05 ? 242 LYS A O 1 ATOM 1912 C CB . LYS A 1 241 ? -9.791 -14.722 41.470 1.00 61.55 ? 242 LYS A CB 1 ATOM 1913 C CG . LYS A 1 241 ? -9.993 -14.119 40.088 1.00 66.73 ? 242 LYS A CG 1 ATOM 1914 C CD . LYS A 1 241 ? -9.144 -12.871 39.898 1.00 77.96 ? 242 LYS A CD 1 ATOM 1915 C CE . LYS A 1 241 ? -9.137 -12.417 38.445 1.00 87.60 ? 242 LYS A CE 1 ATOM 1916 N NZ . LYS A 1 241 ? -8.456 -13.399 37.555 1.00 91.03 ? 242 LYS A NZ 1 ATOM 1917 N N . THR A 1 242 ? -10.374 -17.753 43.362 1.00 65.33 ? 243 THR A N 1 ATOM 1918 C CA . THR A 1 242 ? -9.662 -18.827 44.046 1.00 63.59 ? 243 THR A CA 1 ATOM 1919 C C . THR A 1 242 ? -10.460 -20.124 43.979 1.00 62.75 ? 243 THR A C 1 ATOM 1920 O O . THR A 1 242 ? -11.680 -20.113 44.139 1.00 64.74 ? 243 THR A O 1 ATOM 1921 C CB . THR A 1 242 ? -9.380 -18.461 45.518 1.00 66.38 ? 243 THR A CB 1 ATOM 1922 O OG1 . THR A 1 242 ? -8.370 -17.448 45.571 1.00 79.39 ? 243 THR A OG1 1 ATOM 1923 C CG2 . THR A 1 242 ? -8.905 -19.674 46.305 1.00 67.06 ? 243 THR A CG2 1 ATOM 1924 N N . LEU A 1 243 ? -9.770 -21.233 43.724 1.00 55.07 ? 244 LEU A N 1 ATOM 1925 C CA . LEU A 1 243 ? -10.403 -22.547 43.700 1.00 52.45 ? 244 LEU A CA 1 ATOM 1926 C C . LEU A 1 243 ? -11.106 -22.849 45.019 1.00 51.34 ? 244 LEU A C 1 ATOM 1927 O O . LEU A 1 243 ? -10.458 -22.953 46.060 1.00 45.71 ? 244 LEU A O 1 ATOM 1928 C CB . LEU A 1 243 ? -9.373 -23.639 43.402 1.00 53.19 ? 244 LEU A CB 1 ATOM 1929 C CG . LEU A 1 243 ? -8.839 -23.743 41.972 1.00 49.99 ? 244 LEU A CG 1 ATOM 1930 C CD1 . LEU A 1 243 ? -7.800 -24.850 41.873 1.00 44.54 ? 244 LEU A CD1 1 ATOM 1931 C CD2 . LEU A 1 243 ? -9.974 -23.986 40.993 1.00 38.50 ? 244 LEU A CD2 1 ATOM 1932 N N . PRO A 1 244 ? -12.441 -22.985 44.975 1.00 47.83 ? 245 PRO A N 1 ATOM 1933 C CA . PRO A 1 244 ? -13.234 -23.338 46.156 1.00 42.87 ? 245 PRO A CA 1 ATOM 1934 C C . PRO A 1 244 ? -12.816 -24.692 46.711 1.00 45.20 ? 245 PRO A C 1 ATOM 1935 O O . PRO A 1 244 ? -12.346 -25.537 45.950 1.00 51.64 ? 245 PRO A O 1 ATOM 1936 C CB . PRO A 1 244 ? -14.670 -23.383 45.620 1.00 42.93 ? 245 PRO A CB 1 ATOM 1937 C CG . PRO A 1 244 ? -14.642 -22.575 44.369 1.00 42.54 ? 245 PRO A CG 1 ATOM 1938 C CD . PRO A 1 244 ? -13.285 -22.802 43.783 1.00 44.93 ? 245 PRO A CD 1 ATOM 1939 N N . PRO A 1 245 ? -12.984 -24.898 48.024 1.00 50.22 ? 246 PRO A N 1 ATOM 1940 C CA . PRO A 1 245 ? -12.592 -26.158 48.664 1.00 49.49 ? 246 PRO A CA 1 ATOM 1941 C C . PRO A 1 245 ? -13.395 -27.354 48.159 1.00 45.99 ? 246 PRO A C 1 ATOM 1942 O O . PRO A 1 245 ? -14.455 -27.188 47.553 1.00 36.47 ? 246 PRO A O 1 ATOM 1943 C CB . PRO A 1 245 ? -12.874 -25.900 50.147 1.00 47.57 ? 246 PRO A CB 1 ATOM 1944 C CG . PRO A 1 245 ? -13.904 -24.821 50.153 1.00 47.50 ? 246 PRO A CG 1 ATOM 1945 C CD . PRO A 1 245 ? -13.566 -23.948 48.987 1.00 47.65 ? 246 PRO A CD 1 ATOM 1946 N N . ARG A 1 246 ? -12.872 -28.549 48.410 1.00 46.40 ? 247 ARG A N 1 ATOM 1947 C CA . ARG A 1 246 ? -13.516 -29.796 48.015 1.00 46.54 ? 247 ARG A CA 1 ATOM 1948 C C . ARG A 1 246 ? -14.880 -29.944 48.685 1.00 49.32 ? 247 ARG A C 1 ATOM 1949 O O . ARG A 1 246 ? -15.050 -29.573 49.846 1.00 54.53 ? 247 ARG A O 1 ATOM 1950 C CB . ARG A 1 246 ? -12.611 -30.977 48.375 1.00 45.66 ? 247 ARG A CB 1 ATOM 1951 C CG . ARG A 1 246 ? -13.065 -32.339 47.881 1.00 41.19 ? 247 ARG A CG 1 ATOM 1952 C CD . ARG A 1 246 ? -12.179 -33.420 48.486 1.00 50.13 ? 247 ARG A CD 1 ATOM 1953 N NE . ARG A 1 246 ? -12.404 -34.736 47.899 1.00 63.05 ? 247 ARG A NE 1 ATOM 1954 C CZ . ARG A 1 246 ? -11.662 -35.254 46.925 1.00 76.94 ? 247 ARG A CZ 1 ATOM 1955 N NH1 . ARG A 1 246 ? -10.645 -34.564 46.428 1.00 82.51 ? 247 ARG A NH1 1 ATOM 1956 N NH2 . ARG A 1 246 ? -11.937 -36.460 46.449 1.00 83.66 ? 247 ARG A NH2 1 ATOM 1957 N N . ILE A 1 247 ? -15.853 -30.477 47.954 1.00 46.20 ? 248 ILE A N 1 ATOM 1958 C CA . ILE A 1 247 ? -17.177 -30.702 48.524 1.00 51.01 ? 248 ILE A CA 1 ATOM 1959 C C . ILE A 1 247 ? -17.562 -32.175 48.458 1.00 49.91 ? 248 ILE A C 1 ATOM 1960 O O . ILE A 1 247 ? -17.750 -32.732 47.377 1.00 49.95 ? 248 ILE A O 1 ATOM 1961 C CB . ILE A 1 247 ? -18.261 -29.868 47.811 1.00 54.10 ? 248 ILE A CB 1 ATOM 1962 C CG1 . ILE A 1 247 ? -17.954 -28.374 47.931 1.00 50.27 ? 248 ILE A CG1 1 ATOM 1963 C CG2 . ILE A 1 247 ? -19.633 -30.172 48.395 1.00 49.70 ? 248 ILE A CG2 1 ATOM 1964 C CD1 . ILE A 1 247 ? -19.032 -27.480 47.355 1.00 35.83 ? 248 ILE A CD1 1 ATOM 1965 N N . GLU A 1 248 ? -17.671 -32.802 49.623 1.00 53.96 ? 249 GLU A N 1 ATOM 1966 C CA . GLU A 1 248 ? -18.075 -34.199 49.702 1.00 49.88 ? 249 GLU A CA 1 ATOM 1967 C C . GLU A 1 248 ? -19.554 -34.314 50.041 1.00 53.46 ? 249 GLU A C 1 ATOM 1968 O O . GLU A 1 248 ? -19.920 -34.473 51.205 1.00 60.11 ? 249 GLU A O 1 ATOM 1969 C CB . GLU A 1 248 ? -17.241 -34.948 50.741 1.00 47.40 ? 249 GLU A CB 1 ATOM 1970 C CG . GLU A 1 248 ? -15.771 -35.082 50.389 1.00 59.74 ? 249 GLU A CG 1 ATOM 1971 C CD . GLU A 1 248 ? -15.005 -35.914 51.401 1.00 80.36 ? 249 GLU A CD 1 ATOM 1972 O OE1 . GLU A 1 248 ? -13.778 -36.077 51.232 1.00 87.27 ? 249 GLU A OE1 1 ATOM 1973 O OE2 . GLU A 1 248 ? -15.631 -36.407 52.364 1.00 81.48 ? 249 GLU A OE2 1 ATOM 1974 N N . THR A 1 249 ? -20.401 -34.224 49.023 1.00 50.90 ? 250 THR A N 1 ATOM 1975 C CA . THR A 1 249 ? -21.833 -34.395 49.218 1.00 53.75 ? 250 THR A CA 1 ATOM 1976 C C . THR A 1 249 ? -22.125 -35.825 49.643 1.00 70.25 ? 250 THR A C 1 ATOM 1977 O O . THR A 1 249 ? -21.436 -36.757 49.229 1.00 84.89 ? 250 THR A O 1 ATOM 1978 C CB . THR A 1 249 ? -22.630 -34.076 47.943 1.00 47.55 ? 250 THR A CB 1 ATOM 1979 O OG1 . THR A 1 249 ? -22.387 -35.091 46.961 1.00 47.72 ? 250 THR A OG1 1 ATOM 1980 C CG2 . THR A 1 249 ? -22.228 -32.720 47.386 1.00 42.90 ? 250 THR A CG2 1 ATOM 1981 N N . ASP A 1 250 ? -23.144 -35.998 50.475 1.00 62.85 ? 251 ASP A N 1 ATOM 1982 C CA . ASP A 1 250 ? -23.544 -37.331 50.895 1.00 67.77 ? 251 ASP A CA 1 ATOM 1983 C C . ASP A 1 250 ? -24.769 -37.762 50.099 1.00 70.48 ? 251 ASP A C 1 ATOM 1984 O O . ASP A 1 250 ? -25.625 -38.494 50.594 1.00 78.96 ? 251 ASP A O 1 ATOM 1985 C CB . ASP A 1 250 ? -23.830 -37.364 52.396 1.00 76.31 ? 251 ASP A CB 1 ATOM 1986 C CG . ASP A 1 250 ? -23.639 -38.742 52.993 1.00 76.78 ? 251 ASP A CG 1 ATOM 1987 O OD1 . ASP A 1 250 ? -22.823 -39.516 52.448 1.00 72.13 ? 251 ASP A OD1 1 ATOM 1988 O OD2 . ASP A 1 250 ? -24.300 -39.049 54.007 1.00 86.71 ? 251 ASP A OD2 1 ATOM 1989 N N . SER A 1 251 ? -24.837 -37.297 48.856 1.00 71.95 ? 252 SER A N 1 ATOM 1990 C CA . SER A 1 251 ? -25.982 -37.554 47.993 1.00 68.94 ? 252 SER A CA 1 ATOM 1991 C C . SER A 1 251 ? -25.572 -38.257 46.704 1.00 60.07 ? 252 SER A C 1 ATOM 1992 O O . SER A 1 251 ? -24.437 -38.122 46.246 1.00 56.43 ? 252 SER A O 1 ATOM 1993 C CB . SER A 1 251 ? -26.699 -36.243 47.664 1.00 69.12 ? 252 SER A CB 1 ATOM 1994 O OG . SER A 1 251 ? -27.749 -36.451 46.736 1.00 73.59 ? 252 SER A OG 1 ATOM 1995 N N . ASN A 1 252 ? -26.504 -39.007 46.126 1.00 60.41 ? 253 ASN A N 1 ATOM 1996 C CA . ASN A 1 252 ? -26.272 -39.667 44.848 1.00 66.83 ? 253 ASN A CA 1 ATOM 1997 C C . ASN A 1 252 ? -26.754 -38.802 43.688 1.00 72.06 ? 253 ASN A C 1 ATOM 1998 O O . ASN A 1 252 ? -26.496 -39.104 42.523 1.00 77.11 ? 253 ASN A O 1 ATOM 1999 C CB . ASN A 1 252 ? -26.963 -41.032 44.813 1.00 68.78 ? 253 ASN A CB 1 ATOM 2000 C CG . ASN A 1 252 ? -28.463 -40.933 45.009 1.00 69.22 ? 253 ASN A CG 1 ATOM 2001 O OD1 . ASN A 1 252 ? -28.957 -40.007 45.651 1.00 69.46 ? 253 ASN A OD1 1 ATOM 2002 N ND2 . ASN A 1 252 ? -29.196 -41.891 44.455 1.00 70.05 ? 253 ASN A ND2 1 ATOM 2003 N N . LYS A 1 253 ? -27.459 -37.726 44.020 1.00 68.79 ? 254 LYS A N 1 ATOM 2004 C CA . LYS A 1 253 ? -27.923 -36.772 43.020 1.00 69.05 ? 254 LYS A CA 1 ATOM 2005 C C . LYS A 1 253 ? -27.493 -35.355 43.391 1.00 67.00 ? 254 LYS A C 1 ATOM 2006 O O . LYS A 1 253 ? -27.773 -34.875 44.489 1.00 74.33 ? 254 LYS A O 1 ATOM 2007 C CB . LYS A 1 253 ? -29.446 -36.848 42.864 1.00 76.78 ? 254 LYS A CB 1 ATOM 2008 C CG . LYS A 1 253 ? -30.226 -36.731 44.165 1.00 87.03 ? 254 LYS A CG 1 ATOM 2009 C CD . LYS A 1 253 ? -31.723 -36.657 43.909 1.00 95.78 ? 254 LYS A CD 1 ATOM 2010 C CE . LYS A 1 253 ? -32.498 -36.508 45.208 1.00 102.18 ? 254 LYS A CE 1 ATOM 2011 N NZ . LYS A 1 253 ? -33.965 -36.406 44.973 1.00 110.85 ? 254 LYS A NZ 1 ATOM 2012 N N . VAL A 1 254 ? -26.794 -34.694 42.475 1.00 64.14 ? 255 VAL A N 1 ATOM 2013 C CA . VAL A 1 254 ? -26.318 -33.335 42.713 1.00 60.15 ? 255 VAL A CA 1 ATOM 2014 C C . VAL A 1 254 ? -26.618 -32.445 41.511 1.00 61.25 ? 255 VAL A C 1 ATOM 2015 O O . VAL A 1 254 ? -26.359 -32.827 40.371 1.00 62.02 ? 255 VAL A O 1 ATOM 2016 C CB . VAL A 1 254 ? -24.801 -33.307 43.009 1.00 55.96 ? 255 VAL A CB 1 ATOM 2017 C CG1 . VAL A 1 254 ? -24.309 -31.878 43.156 1.00 53.33 ? 255 VAL A CG1 1 ATOM 2018 C CG2 . VAL A 1 254 ? -24.484 -34.109 44.263 1.00 62.77 ? 255 VAL A CG2 1 ATOM 2019 N N . THR A 1 255 ? -27.172 -31.263 41.763 1.00 53.53 ? 256 THR A N 1 ATOM 2020 C CA . THR A 1 255 ? -27.486 -30.338 40.680 1.00 56.15 ? 256 THR A CA 1 ATOM 2021 C C . THR A 1 255 ? -26.659 -29.062 40.793 1.00 54.06 ? 256 THR A C 1 ATOM 2022 O O . THR A 1 255 ? -26.584 -28.458 41.856 1.00 62.52 ? 256 THR A O 1 ATOM 2023 C CB . THR A 1 255 ? -28.982 -29.973 40.666 1.00 55.71 ? 256 THR A CB 1 ATOM 2024 O OG1 . THR A 1 255 ? -29.768 -31.170 40.621 1.00 62.13 ? 256 THR A OG1 1 ATOM 2025 C CG2 . THR A 1 255 ? -29.310 -29.107 39.456 1.00 45.65 ? 256 THR A CG2 1 ATOM 2026 N N . ILE A 1 256 ? -26.035 -28.656 39.694 1.00 45.05 ? 257 ILE A N 1 ATOM 2027 C CA . ILE A 1 256 ? -25.232 -27.441 39.686 1.00 41.92 ? 257 ILE A CA 1 ATOM 2028 C C . ILE A 1 256 ? -25.828 -26.416 38.726 1.00 46.89 ? 257 ILE A C 1 ATOM 2029 O O . ILE A 1 256 ? -26.020 -26.702 37.547 1.00 44.54 ? 257 ILE A O 1 ATOM 2030 C CB . ILE A 1 256 ? -23.766 -27.724 39.289 1.00 40.80 ? 257 ILE A CB 1 ATOM 2031 C CG1 . ILE A 1 256 ? -23.068 -28.580 40.351 1.00 42.36 ? 257 ILE A CG1 1 ATOM 2032 C CG2 . ILE A 1 256 ? -23.008 -26.426 39.092 1.00 35.36 ? 257 ILE A CG2 1 ATOM 2033 C CD1 . ILE A 1 256 ? -23.210 -30.076 40.142 1.00 48.66 ? 257 ILE A CD1 1 ATOM 2034 N N . THR A 1 257 ? -26.126 -25.224 39.234 1.00 48.38 ? 258 THR A N 1 ATOM 2035 C CA . THR A 1 257 ? -26.692 -24.165 38.403 1.00 42.57 ? 258 THR A CA 1 ATOM 2036 C C . THR A 1 257 ? -25.725 -22.994 38.258 1.00 45.97 ? 258 THR A C 1 ATOM 2037 O O . THR A 1 257 ? -25.121 -22.551 39.236 1.00 48.04 ? 258 THR A O 1 ATOM 2038 C CB . THR A 1 257 ? -28.027 -23.646 38.974 1.00 41.90 ? 258 THR A CB 1 ATOM 2039 O OG1 . THR A 1 257 ? -27.817 -23.127 40.293 1.00 53.81 ? 258 THR A OG1 1 ATOM 2040 C CG2 . THR A 1 257 ? -29.054 -24.766 39.030 1.00 30.16 ? 258 THR A CG2 1 ATOM 2041 N N . PHE A 1 258 ? -25.586 -22.495 37.034 1.00 46.38 ? 259 PHE A N 1 ATOM 2042 C CA . PHE A 1 258 ? -24.674 -21.388 36.763 1.00 42.18 ? 259 PHE A CA 1 ATOM 2043 C C . PHE A 1 258 ? -25.343 -20.297 35.934 1.00 36.73 ? 259 PHE A C 1 ATOM 2044 O O . PHE A 1 258 ? -25.729 -20.527 34.794 1.00 42.77 ? 259 PHE A O 1 ATOM 2045 C CB . PHE A 1 258 ? -23.421 -21.897 36.048 1.00 34.37 ? 259 PHE A CB 1 ATOM 2046 C CG . PHE A 1 258 ? -22.388 -20.835 35.806 1.00 33.04 ? 259 PHE A CG 1 ATOM 2047 C CD1 . PHE A 1 258 ? -21.828 -20.140 36.867 1.00 33.20 ? 259 PHE A CD1 1 ATOM 2048 C CD2 . PHE A 1 258 ? -21.966 -20.540 34.519 1.00 29.42 ? 259 PHE A CD2 1 ATOM 2049 C CE1 . PHE A 1 258 ? -20.872 -19.162 36.647 1.00 37.50 ? 259 PHE A CE1 1 ATOM 2050 C CE2 . PHE A 1 258 ? -21.010 -19.565 34.293 1.00 30.79 ? 259 PHE A CE2 1 ATOM 2051 C CZ . PHE A 1 258 ? -20.462 -18.875 35.358 1.00 34.72 ? 259 PHE A CZ 1 ATOM 2052 N N . THR A 1 259 ? -25.481 -19.107 36.512 1.00 36.21 ? 260 THR A N 1 ATOM 2053 C CA . THR A 1 259 ? -26.119 -17.996 35.812 1.00 36.82 ? 260 THR A CA 1 ATOM 2054 C C . THR A 1 259 ? -25.138 -16.856 35.583 1.00 41.24 ? 260 THR A C 1 ATOM 2055 O O . THR A 1 259 ? -24.231 -16.637 36.384 1.00 42.46 ? 260 THR A O 1 ATOM 2056 C CB . THR A 1 259 ? -27.335 -17.458 36.586 1.00 39.74 ? 260 THR A CB 1 ATOM 2057 O OG1 . THR A 1 259 ? -26.894 -16.816 37.789 1.00 47.90 ? 260 THR A OG1 1 ATOM 2058 C CG2 . THR A 1 259 ? -28.291 -18.589 36.930 1.00 35.88 ? 260 THR A CG2 1 ATOM 2059 N N . THR A 1 260 ? -25.325 -16.131 34.484 1.00 37.97 ? 261 THR A N 1 ATOM 2060 C CA . THR A 1 260 ? -24.431 -15.035 34.127 1.00 38.57 ? 261 THR A CA 1 ATOM 2061 C C . THR A 1 260 ? -25.217 -13.763 33.818 1.00 41.04 ? 261 THR A C 1 ATOM 2062 O O . THR A 1 260 ? -26.412 -13.821 33.529 1.00 44.02 ? 261 THR A O 1 ATOM 2063 C CB . THR A 1 260 ? -23.555 -15.400 32.913 1.00 49.67 ? 261 THR A CB 1 ATOM 2064 O OG1 . THR A 1 260 ? -24.384 -15.588 31.759 1.00 48.78 ? 261 THR A OG1 1 ATOM 2065 C CG2 . THR A 1 260 ? -22.777 -16.678 33.184 1.00 29.68 ? 261 THR A CG2 1 ATOM 2066 N N . ASP A 1 261 ? -24.546 -12.616 33.881 1.00 46.74 ? 262 ASP A N 1 ATOM 2067 C CA . ASP A 1 261 ? -25.203 -11.342 33.606 1.00 50.31 ? 262 ASP A CA 1 ATOM 2068 C C . ASP A 1 261 ? -24.984 -10.893 32.161 1.00 50.89 ? 262 ASP A C 1 ATOM 2069 O O . ASP A 1 261 ? -24.934 -11.715 31.247 1.00 55.99 ? 262 ASP A O 1 ATOM 2070 C CB . ASP A 1 261 ? -24.722 -10.257 34.582 1.00 53.54 ? 262 ASP A CB 1 ATOM 2071 C CG . ASP A 1 261 ? -23.219 -10.042 34.539 1.00 62.32 ? 262 ASP A CG 1 ATOM 2072 O OD1 . ASP A 1 261 ? -22.561 -10.537 33.602 1.00 71.00 ? 262 ASP A OD1 1 ATOM 2073 O OD2 . ASP A 1 261 ? -22.696 -9.358 35.443 1.00 66.14 ? 262 ASP A OD2 1 ATOM 2074 N N . GLU A 1 262 ? -24.840 -9.587 31.964 1.00 47.96 ? 263 GLU A N 1 ATOM 2075 C CA . GLU A 1 262 ? -24.799 -9.017 30.624 1.00 58.56 ? 263 GLU A CA 1 ATOM 2076 C C . GLU A 1 262 ? -23.402 -8.579 30.185 1.00 58.77 ? 263 GLU A C 1 ATOM 2077 O O . GLU A 1 262 ? -23.227 -8.107 29.062 1.00 52.45 ? 263 GLU A O 1 ATOM 2078 C CB . GLU A 1 262 ? -25.758 -7.824 30.533 1.00 67.12 ? 263 GLU A CB 1 ATOM 2079 C CG . GLU A 1 262 ? -25.343 -6.608 31.357 1.00 89.14 ? 263 GLU A CG 1 ATOM 2080 C CD . GLU A 1 262 ? -25.623 -6.767 32.842 1.00 100.08 ? 263 GLU A CD 1 ATOM 2081 O OE1 . GLU A 1 262 ? -26.317 -7.734 33.221 1.00 102.25 ? 263 GLU A OE1 1 ATOM 2082 O OE2 . GLU A 1 262 ? -25.149 -5.922 33.631 1.00 102.36 ? 263 GLU A OE2 1 ATOM 2083 N N . SER A 1 263 ? -22.410 -8.734 31.057 1.00 56.36 ? 264 SER A N 1 ATOM 2084 C CA . SER A 1 263 ? -21.060 -8.281 30.732 1.00 52.61 ? 264 SER A CA 1 ATOM 2085 C C . SER A 1 263 ? -19.974 -8.987 31.537 1.00 50.43 ? 264 SER A C 1 ATOM 2086 O O . SER A 1 263 ? -20.196 -9.401 32.674 1.00 48.96 ? 264 SER A O 1 ATOM 2087 C CB . SER A 1 263 ? -20.948 -6.771 30.946 1.00 55.78 ? 264 SER A CB 1 ATOM 2088 O OG . SER A 1 263 ? -21.258 -6.426 32.285 1.00 53.13 ? 264 SER A OG 1 ATOM 2089 N N . GLY A 1 264 ? -18.795 -9.113 30.937 1.00 53.37 ? 265 GLY A N 1 ATOM 2090 C CA . GLY A 1 264 ? -17.653 -9.691 31.619 1.00 59.19 ? 265 GLY A CA 1 ATOM 2091 C C . GLY A 1 264 ? -16.853 -10.651 30.761 1.00 62.70 ? 265 GLY A C 1 ATOM 2092 O O . GLY A 1 264 ? -17.394 -11.299 29.865 1.00 64.73 ? 265 GLY A O 1 ATOM 2093 N N . ASN A 1 265 ? -15.557 -10.740 31.042 1.00 65.64 ? 266 ASN A N 1 ATOM 2094 C CA . ASN A 1 265 ? -14.670 -11.643 30.319 1.00 67.68 ? 266 ASN A CA 1 ATOM 2095 C C . ASN A 1 265 ? -14.029 -12.665 31.251 1.00 66.63 ? 266 ASN A C 1 ATOM 2096 O O . ASN A 1 265 ? -12.909 -13.118 31.018 1.00 75.64 ? 266 ASN A O 1 ATOM 2097 C CB . ASN A 1 265 ? -13.585 -10.853 29.587 1.00 70.06 ? 266 ASN A CB 1 ATOM 2098 C CG . ASN A 1 265 ? -14.156 -9.770 28.698 1.00 77.56 ? 266 ASN A CG 1 ATOM 2099 O OD1 . ASN A 1 265 ? -13.850 -8.590 28.865 1.00 84.97 ? 266 ASN A OD1 1 ATOM 2100 N ND2 . ASN A 1 265 ? -14.994 -10.165 27.747 1.00 77.87 ? 266 ASN A ND2 1 ATOM 2101 N N . HIS A 1 266 ? -14.749 -13.020 32.310 1.00 54.84 ? 267 HIS A N 1 ATOM 2102 C CA . HIS A 1 266 ? -14.257 -13.982 33.288 1.00 49.16 ? 267 HIS A CA 1 ATOM 2103 C C . HIS A 1 266 ? -14.273 -15.392 32.702 1.00 52.03 ? 267 HIS A C 1 ATOM 2104 O O . HIS A 1 266 ? -15.198 -15.758 31.978 1.00 49.93 ? 267 HIS A O 1 ATOM 2105 C CB . HIS A 1 266 ? -15.094 -13.904 34.565 1.00 43.68 ? 267 HIS A CB 1 ATOM 2106 C CG . HIS A 1 266 ? -15.138 -12.534 35.167 1.00 49.38 ? 267 HIS A CG 1 ATOM 2107 N ND1 . HIS A 1 266 ? -15.899 -11.513 34.639 1.00 43.27 ? 267 HIS A ND1 1 ATOM 2108 C CD2 . HIS A 1 266 ? -14.500 -12.010 36.241 1.00 51.35 ? 267 HIS A CD2 1 ATOM 2109 C CE1 . HIS A 1 266 ? -15.735 -10.422 35.367 1.00 55.03 ? 267 HIS A CE1 1 ATOM 2110 N NE2 . HIS A 1 266 ? -14.892 -10.698 36.346 1.00 55.40 ? 267 HIS A NE2 1 ATOM 2111 N N . THR A 1 267 ? -13.246 -16.177 33.020 1.00 49.47 ? 268 THR A N 1 ATOM 2112 C CA . THR A 1 267 ? -13.015 -17.452 32.340 1.00 52.13 ? 268 THR A CA 1 ATOM 2113 C C . THR A 1 267 ? -13.773 -18.638 32.939 1.00 45.85 ? 268 THR A C 1 ATOM 2114 O O . THR A 1 267 ? -13.838 -19.705 32.329 1.00 50.31 ? 268 THR A O 1 ATOM 2115 C CB . THR A 1 267 ? -11.515 -17.795 32.314 1.00 55.46 ? 268 THR A CB 1 ATOM 2116 O OG1 . THR A 1 267 ? -10.955 -17.600 33.618 1.00 59.52 ? 268 THR A OG1 1 ATOM 2117 C CG2 . THR A 1 267 ? -10.788 -16.901 31.321 1.00 50.53 ? 268 THR A CG2 1 ATOM 2118 N N . GLY A 1 268 ? -14.336 -18.462 34.129 1.00 37.66 ? 269 GLY A N 1 ATOM 2119 C CA . GLY A 1 268 ? -15.233 -19.460 34.685 1.00 32.75 ? 269 GLY A CA 1 ATOM 2120 C C . GLY A 1 268 ? -14.622 -20.532 35.567 1.00 44.99 ? 269 GLY A C 1 ATOM 2121 O O . GLY A 1 268 ? -13.725 -20.262 36.366 1.00 47.16 ? 269 GLY A O 1 ATOM 2122 N N . TRP A 1 269 ? -15.117 -21.759 35.415 1.00 51.72 ? 270 TRP A N 1 ATOM 2123 C CA . TRP A 1 269 ? -14.785 -22.843 36.334 1.00 57.74 ? 270 TRP A CA 1 ATOM 2124 C C . TRP A 1 269 ? -14.778 -24.220 35.673 1.00 56.94 ? 270 TRP A C 1 ATOM 2125 O O . TRP A 1 269 ? -15.259 -24.392 34.551 1.00 51.90 ? 270 TRP A O 1 ATOM 2126 C CB . TRP A 1 269 ? -15.775 -22.849 37.498 1.00 49.59 ? 270 TRP A CB 1 ATOM 2127 C CG . TRP A 1 269 ? -17.200 -22.889 37.042 1.00 43.28 ? 270 TRP A CG 1 ATOM 2128 C CD1 . TRP A 1 269 ? -18.030 -21.823 36.854 1.00 45.13 ? 270 TRP A CD1 1 ATOM 2129 C CD2 . TRP A 1 269 ? -17.959 -24.055 36.698 1.00 34.67 ? 270 TRP A CD2 1 ATOM 2130 N NE1 . TRP A 1 269 ? -19.262 -22.253 36.422 1.00 39.45 ? 270 TRP A NE1 1 ATOM 2131 C CE2 . TRP A 1 269 ? -19.244 -23.619 36.318 1.00 34.67 ? 270 TRP A CE2 1 ATOM 2132 C CE3 . TRP A 1 269 ? -17.679 -25.425 36.679 1.00 33.60 ? 270 TRP A CE3 1 ATOM 2133 C CZ2 . TRP A 1 269 ? -20.246 -24.503 35.924 1.00 29.82 ? 270 TRP A CZ2 1 ATOM 2134 C CZ3 . TRP A 1 269 ? -18.675 -26.300 36.285 1.00 36.37 ? 270 TRP A CZ3 1 ATOM 2135 C CH2 . TRP A 1 269 ? -19.942 -25.836 35.914 1.00 26.84 ? 270 TRP A CH2 1 ATOM 2136 N N . LYS A 1 270 ? -14.241 -25.199 36.396 1.00 48.92 ? 271 LYS A N 1 ATOM 2137 C CA . LYS A 1 270 ? -14.200 -26.584 35.942 1.00 40.50 ? 271 LYS A CA 1 ATOM 2138 C C . LYS A 1 270 ? -14.223 -27.517 37.146 1.00 42.29 ? 271 LYS A C 1 ATOM 2139 O O . LYS A 1 270 ? -13.493 -27.310 38.114 1.00 51.55 ? 271 LYS A O 1 ATOM 2140 C CB . LYS A 1 270 ? -12.957 -26.839 35.090 1.00 39.82 ? 271 LYS A CB 1 ATOM 2141 C CG . LYS A 1 270 ? -12.879 -28.237 34.502 1.00 42.21 ? 271 LYS A CG 1 ATOM 2142 C CD . LYS A 1 270 ? -11.647 -28.394 33.628 1.00 51.03 ? 271 LYS A CD 1 ATOM 2143 C CE . LYS A 1 270 ? -11.606 -29.760 32.966 1.00 55.66 ? 271 LYS A CE 1 ATOM 2144 N NZ . LYS A 1 270 ? -10.430 -29.901 32.065 1.00 61.13 ? 271 LYS A NZ 1 ATOM 2145 N N . ILE A 1 271 ? -15.062 -28.544 37.084 1.00 41.94 ? 272 ILE A N 1 ATOM 2146 C CA . ILE A 1 271 ? -15.247 -29.446 38.215 1.00 39.05 ? 272 ILE A CA 1 ATOM 2147 C C . ILE A 1 271 ? -15.039 -30.907 37.830 1.00 44.97 ? 272 ILE A C 1 ATOM 2148 O O . ILE A 1 271 ? -15.549 -31.368 36.815 1.00 48.68 ? 272 ILE A O 1 ATOM 2149 C CB . ILE A 1 271 ? -16.654 -29.284 38.826 1.00 30.56 ? 272 ILE A CB 1 ATOM 2150 C CG1 . ILE A 1 271 ? -16.830 -27.874 39.391 1.00 32.90 ? 272 ILE A CG1 1 ATOM 2151 C CG2 . ILE A 1 271 ? -16.897 -30.320 39.911 1.00 34.58 ? 272 ILE A CG2 1 ATOM 2152 C CD1 . ILE A 1 271 ? -18.200 -27.616 39.973 1.00 34.32 ? 272 ILE A CD1 1 ATOM 2153 N N . HIS A 1 272 ? -14.278 -31.629 38.642 1.00 44.92 ? 273 HIS A N 1 ATOM 2154 C CA . HIS A 1 272 ? -14.142 -33.069 38.483 1.00 46.46 ? 273 HIS A CA 1 ATOM 2155 C C . HIS A 1 272 ? -14.951 -33.776 39.565 1.00 50.93 ? 273 HIS A C 1 ATOM 2156 O O . HIS A 1 272 ? -14.657 -33.642 40.756 1.00 56.15 ? 273 HIS A O 1 ATOM 2157 C CB . HIS A 1 272 ? -12.673 -33.487 38.550 1.00 45.66 ? 273 HIS A CB 1 ATOM 2158 C CG . HIS A 1 272 ? -12.451 -34.951 38.339 1.00 54.11 ? 273 HIS A CG 1 ATOM 2159 N ND1 . HIS A 1 272 ? -13.101 -35.669 37.357 1.00 61.94 ? 273 HIS A ND1 1 ATOM 2160 C CD2 . HIS A 1 272 ? -11.647 -35.833 38.979 1.00 53.99 ? 273 HIS A CD2 1 ATOM 2161 C CE1 . HIS A 1 272 ? -12.709 -36.930 37.404 1.00 60.92 ? 273 HIS A CE1 1 ATOM 2162 N NE2 . HIS A 1 272 ? -11.827 -37.056 38.379 1.00 57.60 ? 273 HIS A NE2 1 ATOM 2163 N N . TYR A 1 273 ? -15.981 -34.513 39.156 1.00 46.05 ? 274 TYR A N 1 ATOM 2164 C CA . TYR A 1 273 ? -16.801 -35.232 40.122 1.00 42.73 ? 274 TYR A CA 1 ATOM 2165 C C . TYR A 1 273 ? -16.425 -36.705 40.157 1.00 47.42 ? 274 TYR A C 1 ATOM 2166 O O . TYR A 1 273 ? -16.119 -37.306 39.123 1.00 50.38 ? 274 TYR A O 1 ATOM 2167 C CB . TYR A 1 273 ? -18.300 -35.062 39.820 1.00 50.37 ? 274 TYR A CB 1 ATOM 2168 C CG . TYR A 1 273 ? -18.905 -36.074 38.864 1.00 56.95 ? 274 TYR A CG 1 ATOM 2169 C CD1 . TYR A 1 273 ? -19.387 -37.298 39.322 1.00 59.34 ? 274 TYR A CD1 1 ATOM 2170 C CD2 . TYR A 1 273 ? -19.027 -35.792 37.510 1.00 56.76 ? 274 TYR A CD2 1 ATOM 2171 C CE1 . TYR A 1 273 ? -19.944 -38.219 38.455 1.00 62.40 ? 274 TYR A CE1 1 ATOM 2172 C CE2 . TYR A 1 273 ? -19.591 -36.706 36.637 1.00 64.21 ? 274 TYR A CE2 1 ATOM 2173 C CZ . TYR A 1 273 ? -20.046 -37.917 37.114 1.00 67.04 ? 274 TYR A CZ 1 ATOM 2174 O OH . TYR A 1 273 ? -20.604 -38.827 36.245 1.00 66.63 ? 274 TYR A OH 1 ATOM 2175 N N . THR A 1 274 ? -16.452 -37.272 41.360 1.00 54.52 ? 275 THR A N 1 ATOM 2176 C CA . THR A 1 274 ? -16.139 -38.678 41.581 1.00 57.17 ? 275 THR A CA 1 ATOM 2177 C C . THR A 1 274 ? -17.191 -39.329 42.478 1.00 57.93 ? 275 THR A C 1 ATOM 2178 O O . THR A 1 274 ? -18.129 -38.668 42.928 1.00 53.99 ? 275 THR A O 1 ATOM 2179 C CB . THR A 1 274 ? -14.748 -38.851 42.213 1.00 56.79 ? 275 THR A CB 1 ATOM 2180 O OG1 . THR A 1 274 ? -14.607 -37.943 43.313 1.00 53.71 ? 275 THR A OG1 1 ATOM 2181 C CG2 . THR A 1 274 ? -13.661 -38.563 41.191 1.00 45.08 ? 275 THR A CG2 1 ATOM 2182 N N . SER A 1 275 ? -17.030 -40.624 42.740 1.00 60.94 ? 276 SER A N 1 ATOM 2183 C CA . SER A 1 275 ? -18.020 -41.372 43.507 1.00 60.83 ? 276 SER A CA 1 ATOM 2184 C C . SER A 1 275 ? -17.387 -42.328 44.511 1.00 65.25 ? 276 SER A C 1 ATOM 2185 O O . SER A 1 275 ? -16.276 -42.816 44.302 1.00 71.34 ? 276 SER A O 1 ATOM 2186 C CB . SER A 1 275 ? -18.930 -42.164 42.567 1.00 61.84 ? 276 SER A CB 1 ATOM 2187 O OG . SER A 1 275 ? -19.322 -41.378 41.459 1.00 65.77 ? 276 SER A OG 1 ATOM 2188 N N . THR A 1 276 ? -18.102 -42.593 45.601 1.00 63.73 ? 277 THR A N 1 ATOM 2189 C CA . THR A 1 276 ? -17.704 -43.637 46.542 1.00 67.93 ? 277 THR A CA 1 ATOM 2190 C C . THR A 1 276 ? -18.906 -44.504 46.900 1.00 68.06 ? 277 THR A C 1 ATOM 2191 O O . THR A 1 276 ? -20.049 -44.068 46.778 1.00 58.78 ? 277 THR A O 1 ATOM 2192 C CB . THR A 1 276 ? -17.094 -43.059 47.837 1.00 73.04 ? 277 THR A CB 1 ATOM 2193 O OG1 . THR A 1 276 ? -18.025 -42.161 48.451 1.00 76.43 ? 277 THR A OG1 1 ATOM 2194 C CG2 . THR A 1 276 ? -15.795 -42.321 47.542 1.00 71.40 ? 277 THR A CG2 1 ATOM 2195 N N . ALA A 1 277 ? -18.645 -45.731 47.336 1.00 72.83 ? 278 ALA A N 1 ATOM 2196 C CA . ALA A 1 277 ? -19.714 -46.637 47.739 1.00 75.65 ? 278 ALA A CA 1 ATOM 2197 C C . ALA A 1 277 ? -20.015 -46.490 49.226 1.00 85.43 ? 278 ALA A C 1 ATOM 2198 O O . ALA A 1 277 ? -19.261 -45.848 49.958 1.00 81.33 ? 278 ALA A O 1 ATOM 2199 C CB . ALA A 1 277 ? -19.346 -48.073 47.412 1.00 75.19 ? 278 ALA A CB 1 ATOM 2200 N N . GLN A 1 278 ? -21.119 -47.085 49.667 1.00 99.60 ? 279 GLN A N 1 ATOM 2201 C CA . GLN A 1 278 ? -21.518 -47.015 51.068 1.00 104.00 ? 279 GLN A CA 1 ATOM 2202 C C . GLN A 1 278 ? -20.526 -47.755 51.960 1.00 107.29 ? 279 GLN A C 1 ATOM 2203 O O . GLN A 1 278 ? -20.642 -47.733 53.185 1.00 114.29 ? 279 GLN A O 1 ATOM 2204 C CB . GLN A 1 278 ? -22.923 -47.591 51.258 1.00 107.58 ? 279 GLN A CB 1 ATOM 2205 C CG . GLN A 1 278 ? -23.011 -49.097 51.063 1.00 114.67 ? 279 GLN A CG 1 ATOM 2206 C CD . GLN A 1 278 ? -24.406 -49.635 51.317 1.00 121.25 ? 279 GLN A CD 1 ATOM 2207 O OE1 . GLN A 1 278 ? -25.374 -48.876 51.382 1.00 121.99 ? 279 GLN A OE1 1 ATOM 2208 N NE2 . GLN A 1 278 ? -24.517 -50.950 51.466 1.00 123.16 ? 279 GLN A NE2 1 HETATM 2209 CA CA . CA B 2 . ? -24.788 37.777 -0.877 1.00 61.59 ? 301 CA A CA 1 HETATM 2210 CA CA . CA C 2 . ? -31.224 -1.842 7.501 1.00 44.62 ? 302 CA A CA 1 HETATM 2211 CA CA . CA D 2 . ? -20.558 -11.570 34.024 1.00 45.41 ? 303 CA A CA 1 HETATM 2212 C C1 . NAG E 3 . ? -16.705 17.785 -8.198 1.00 75.89 ? 304 NAG A C1 1 HETATM 2213 C C2 . NAG E 3 . ? -16.471 19.272 -7.911 1.00 86.13 ? 304 NAG A C2 1 HETATM 2214 C C3 . NAG E 3 . ? -16.350 20.062 -9.217 1.00 90.89 ? 304 NAG A C3 1 HETATM 2215 C C4 . NAG E 3 . ? -15.308 19.427 -10.130 1.00 90.51 ? 304 NAG A C4 1 HETATM 2216 C C5 . NAG E 3 . ? -15.623 17.949 -10.333 1.00 85.38 ? 304 NAG A C5 1 HETATM 2217 C C6 . NAG E 3 . ? -14.577 17.227 -11.151 1.00 80.21 ? 304 NAG A C6 1 HETATM 2218 C C7 . NAG E 3 . ? -18.804 19.931 -7.388 1.00 96.86 ? 304 NAG A C7 1 HETATM 2219 C C8 . NAG E 3 . ? -19.699 20.541 -6.350 1.00 93.46 ? 304 NAG A C8 1 HETATM 2220 N N2 . NAG E 3 . ? -17.509 19.830 -7.055 1.00 88.03 ? 304 NAG A N2 1 HETATM 2221 O O3 . NAG E 3 . ? -15.979 21.404 -8.922 1.00 93.81 ? 304 NAG A O3 1 HETATM 2222 O O4 . NAG E 3 . ? -15.294 20.084 -11.392 1.00 88.99 ? 304 NAG A O4 1 HETATM 2223 O O5 . NAG E 3 . ? -15.677 17.291 -9.059 1.00 80.78 ? 304 NAG A O5 1 HETATM 2224 O O6 . NAG E 3 . ? -13.350 17.106 -10.443 1.00 68.94 ? 304 NAG A O6 1 HETATM 2225 O O7 . NAG E 3 . ? -19.236 19.550 -8.473 1.00 104.74 ? 304 NAG A O7 1 HETATM 2226 O O . HOH F 4 . ? -19.734 18.001 -9.947 1.00 45.21 ? 401 HOH A O 1 HETATM 2227 O O . HOH F 4 . ? -14.083 21.575 -12.526 1.00 63.15 ? 402 HOH A O 1 HETATM 2228 O O . HOH F 4 . ? -19.404 -4.767 44.677 1.00 68.08 ? 403 HOH A O 1 HETATM 2229 O O . HOH F 4 . ? -29.876 -9.630 5.798 1.00 32.46 ? 404 HOH A O 1 HETATM 2230 O O . HOH F 4 . ? -23.197 -14.464 24.432 1.00 46.03 ? 405 HOH A O 1 HETATM 2231 O O . HOH F 4 . ? -21.543 -10.027 15.461 1.00 49.65 ? 406 HOH A O 1 HETATM 2232 O O . HOH F 4 . ? -10.545 -30.810 45.129 1.00 32.09 ? 407 HOH A O 1 HETATM 2233 O O . HOH F 4 . ? -27.168 38.539 -1.451 1.00 70.42 ? 408 HOH A O 1 HETATM 2234 O O . HOH F 4 . ? -26.552 -12.436 17.552 1.00 44.21 ? 409 HOH A O 1 HETATM 2235 O O . HOH F 4 . ? -21.688 -7.167 34.469 1.00 60.94 ? 410 HOH A O 1 HETATM 2236 O O . HOH F 4 . ? -20.954 -12.554 40.987 1.00 48.78 ? 411 HOH A O 1 HETATM 2237 O O . HOH F 4 . ? -31.657 -11.969 6.452 1.00 31.46 ? 412 HOH A O 1 HETATM 2238 O O . HOH F 4 . ? -22.500 -29.835 30.191 1.00 43.39 ? 413 HOH A O 1 HETATM 2239 O O . HOH F 4 . ? -16.094 -20.854 30.619 1.00 62.06 ? 414 HOH A O 1 HETATM 2240 O O . HOH F 4 . ? -32.502 -0.064 8.601 1.00 32.72 ? 415 HOH A O 1 HETATM 2241 O O . HOH F 4 . ? -14.730 -26.254 27.307 1.00 59.18 ? 416 HOH A O 1 HETATM 2242 O O . HOH F 4 . ? -21.926 -14.083 52.803 1.00 53.16 ? 417 HOH A O 1 HETATM 2243 O O . HOH F 4 . ? -12.785 -24.993 38.642 1.00 47.22 ? 418 HOH A O 1 HETATM 2244 O O . HOH F 4 . ? -27.411 -43.303 47.753 1.00 50.22 ? 419 HOH A O 1 HETATM 2245 O O . HOH F 4 . ? -26.208 8.779 9.048 1.00 43.60 ? 420 HOH A O 1 HETATM 2246 O O . HOH F 4 . ? -30.057 5.961 -2.452 1.00 28.60 ? 421 HOH A O 1 HETATM 2247 O O . HOH F 4 . ? -18.558 -13.010 44.819 1.00 59.38 ? 422 HOH A O 1 HETATM 2248 O O . HOH F 4 . ? -21.984 -12.598 32.239 1.00 50.82 ? 423 HOH A O 1 HETATM 2249 O O . HOH F 4 . ? -29.994 21.525 -13.820 1.00 53.68 ? 424 HOH A O 1 HETATM 2250 O O . HOH F 4 . ? -34.122 -14.533 9.378 1.00 48.60 ? 425 HOH A O 1 HETATM 2251 O O . HOH F 4 . ? -32.862 -14.268 14.933 1.00 28.76 ? 426 HOH A O 1 HETATM 2252 O O . HOH F 4 . ? -15.847 -29.890 30.134 1.00 48.10 ? 427 HOH A O 1 HETATM 2253 O O . HOH F 4 . ? -17.911 22.654 -3.853 1.00 43.10 ? 428 HOH A O 1 HETATM 2254 O O . HOH F 4 . ? -17.822 -26.697 28.632 1.00 46.58 ? 429 HOH A O 1 HETATM 2255 O O . HOH F 4 . ? -15.604 19.228 1.765 1.00 32.42 ? 430 HOH A O 1 HETATM 2256 O O . HOH F 4 . ? -5.584 23.848 7.370 1.00 38.86 ? 431 HOH A O 1 HETATM 2257 O O . HOH F 4 . ? -34.477 -6.150 2.851 1.00 37.87 ? 432 HOH A O 1 HETATM 2258 O O . HOH F 4 . ? -28.567 -17.466 46.741 1.00 63.37 ? 433 HOH A O 1 HETATM 2259 O O . HOH F 4 . ? -27.536 -24.747 17.962 1.00 47.56 ? 434 HOH A O 1 HETATM 2260 O O . HOH F 4 . ? -21.242 17.534 -2.465 1.00 28.25 ? 435 HOH A O 1 HETATM 2261 O O . HOH F 4 . ? -27.672 39.158 -6.202 1.00 47.61 ? 436 HOH A O 1 HETATM 2262 O O . HOH F 4 . ? -31.675 -17.113 26.634 1.00 36.51 ? 437 HOH A O 1 HETATM 2263 O O . HOH F 4 . ? -30.813 23.171 7.996 1.00 42.93 ? 438 HOH A O 1 HETATM 2264 O O . HOH F 4 . ? -23.452 -5.906 5.758 1.00 52.51 ? 439 HOH A O 1 HETATM 2265 O O . HOH F 4 . ? -18.505 14.929 5.098 1.00 54.00 ? 440 HOH A O 1 HETATM 2266 O O . HOH F 4 . ? -30.169 -3.422 2.255 1.00 24.60 ? 441 HOH A O 1 HETATM 2267 O O . HOH F 4 . ? -3.720 26.166 8.482 1.00 34.38 ? 442 HOH A O 1 HETATM 2268 O O . HOH F 4 . ? -26.082 8.795 -6.419 1.00 38.74 ? 443 HOH A O 1 HETATM 2269 O O . HOH F 4 . ? -13.568 -12.755 39.611 1.00 48.12 ? 444 HOH A O 1 HETATM 2270 O O . HOH F 4 . ? -28.614 -15.613 33.371 1.00 41.60 ? 445 HOH A O 1 HETATM 2271 O O . HOH F 4 . ? -21.306 -26.135 29.793 1.00 53.58 ? 446 HOH A O 1 HETATM 2272 O O . HOH F 4 . ? -19.887 -13.023 30.227 1.00 38.68 ? 447 HOH A O 1 HETATM 2273 O O . HOH F 4 . ? -33.338 12.974 12.123 1.00 52.59 ? 448 HOH A O 1 HETATM 2274 O O . HOH F 4 . ? -26.272 -4.044 3.435 1.00 51.48 ? 449 HOH A O 1 HETATM 2275 O O . HOH F 4 . ? -22.106 41.459 1.607 1.00 37.89 ? 450 HOH A O 1 HETATM 2276 O O . HOH F 4 . ? -17.676 12.315 1.363 1.00 48.02 ? 451 HOH A O 1 HETATM 2277 O O . HOH F 4 . ? -17.450 -13.818 31.324 1.00 34.48 ? 452 HOH A O 1 HETATM 2278 O O . HOH F 4 . ? -35.125 5.051 11.967 1.00 39.15 ? 453 HOH A O 1 HETATM 2279 O O . HOH F 4 . ? -34.222 17.649 10.634 1.00 30.70 ? 454 HOH A O 1 HETATM 2280 O O . HOH F 4 . ? -19.881 -39.273 52.531 1.00 54.89 ? 455 HOH A O 1 HETATM 2281 O O . HOH F 4 . ? -28.725 -21.632 16.860 1.00 31.36 ? 456 HOH A O 1 HETATM 2282 O O . HOH F 4 . ? -26.989 -20.010 40.266 1.00 43.52 ? 457 HOH A O 1 HETATM 2283 O O . HOH F 4 . ? -19.172 -39.298 32.935 1.00 59.92 ? 458 HOH A O 1 HETATM 2284 O O . HOH F 4 . ? -18.302 -32.157 29.868 1.00 47.51 ? 459 HOH A O 1 HETATM 2285 O O . HOH F 4 . ? -24.678 -12.423 46.616 1.00 56.58 ? 460 HOH A O 1 HETATM 2286 O O . HOH F 4 . ? -24.786 4.892 15.395 1.00 68.13 ? 461 HOH A O 1 HETATM 2287 O O . HOH F 4 . ? -20.804 -15.382 23.257 1.00 53.09 ? 462 HOH A O 1 HETATM 2288 O O . HOH F 4 . ? -35.408 27.729 -8.844 1.00 34.74 ? 463 HOH A O 1 HETATM 2289 O O . HOH F 4 . ? -33.713 -24.453 46.625 1.00 49.87 ? 464 HOH A O 1 HETATM 2290 O O . HOH F 4 . ? -33.242 -9.764 16.420 1.00 28.23 ? 465 HOH A O 1 HETATM 2291 O O . HOH F 4 . ? -16.722 35.928 -2.039 1.00 50.31 ? 466 HOH A O 1 HETATM 2292 O O . HOH F 4 . ? -31.654 40.554 -6.102 1.00 45.93 ? 467 HOH A O 1 HETATM 2293 O O . HOH F 4 . ? -27.071 2.821 -1.927 1.00 46.83 ? 468 HOH A O 1 HETATM 2294 O O . HOH F 4 . ? -37.312 17.540 -6.435 1.00 41.97 ? 469 HOH A O 1 HETATM 2295 O O . HOH F 4 . ? -36.198 20.098 -8.903 1.00 51.05 ? 470 HOH A O 1 HETATM 2296 O O . HOH F 4 . ? -34.396 -14.987 27.220 1.00 43.78 ? 471 HOH A O 1 HETATM 2297 O O . HOH F 4 . ? -25.188 15.199 22.540 1.00 67.63 ? 472 HOH A O 1 HETATM 2298 O O . HOH F 4 . ? -25.700 43.146 -5.180 1.00 57.96 ? 473 HOH A O 1 HETATM 2299 O O . HOH F 4 . ? -13.625 23.805 7.072 1.00 40.15 ? 474 HOH A O 1 HETATM 2300 O O . HOH F 4 . ? -27.666 -21.668 14.751 1.00 38.96 ? 475 HOH A O 1 HETATM 2301 O O . HOH F 4 . ? -32.300 6.020 10.576 1.00 43.72 ? 476 HOH A O 1 HETATM 2302 O O . HOH F 4 . ? -34.428 -7.235 15.896 1.00 48.25 ? 477 HOH A O 1 HETATM 2303 O O . HOH F 4 . ? -37.888 19.099 -4.606 1.00 44.94 ? 478 HOH A O 1 HETATM 2304 O O . HOH F 4 . ? -27.582 -41.535 50.729 1.00 55.95 ? 479 HOH A O 1 HETATM 2305 O O . HOH F 4 . ? -13.445 19.375 -14.645 1.00 57.97 ? 480 HOH A O 1 HETATM 2306 O O . HOH F 4 . ? -34.705 -13.242 14.703 1.00 36.57 ? 481 HOH A O 1 HETATM 2307 O O . HOH F 4 . ? -34.248 -4.965 16.444 1.00 70.99 ? 482 HOH A O 1 HETATM 2308 O O . HOH F 4 . ? -25.258 -43.435 50.953 1.00 68.62 ? 483 HOH A O 1 HETATM 2309 O O . HOH F 4 . ? -16.256 -30.318 27.677 1.00 49.54 ? 484 HOH A O 1 HETATM 2310 O O . HOH F 4 . ? -32.381 16.493 -12.781 1.00 28.69 ? 485 HOH A O 1 HETATM 2311 O O . HOH F 4 . ? -24.528 44.937 -6.835 1.00 61.88 ? 486 HOH A O 1 HETATM 2312 O O . HOH F 4 . ? -34.085 16.588 -12.015 1.00 41.84 ? 487 HOH A O 1 HETATM 2313 O O . HOH F 4 . ? -29.902 5.509 12.067 1.00 47.22 ? 488 HOH A O 1 HETATM 2314 O O . HOH F 4 . ? -20.923 -39.053 31.129 1.00 61.53 ? 489 HOH A O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . LYS A 1 ? 0.6490 1.0929 1.4913 -0.2322 -0.0645 0.0408 2 LYS A N 2 C CA . LYS A 1 ? 0.6396 1.0540 1.4584 -0.2603 -0.0525 0.0408 2 LYS A CA 3 C C . LYS A 1 ? 0.7316 1.0993 1.4715 -0.2584 -0.0362 0.0403 2 LYS A C 4 O O . LYS A 1 ? 0.7003 1.0686 1.4251 -0.2451 0.0051 0.0444 2 LYS A O 5 C CB . LYS A 1 ? 0.5350 0.9351 1.3556 -0.2830 -0.1002 0.0357 2 LYS A CB 6 C CG . LYS A 1 ? 0.5609 0.9397 1.3837 -0.3147 -0.0877 0.0359 2 LYS A CG 7 C CD . LYS A 1 ? 0.5996 0.9701 1.4340 -0.3360 -0.1355 0.0290 2 LYS A CD 8 C CE . LYS A 1 ? 0.6542 0.9860 1.4179 -0.3296 -0.1814 0.0195 2 LYS A CE 9 N NZ . LYS A 1 ? 0.6671 0.9416 1.3474 -0.3308 -0.1700 0.0147 2 LYS A NZ 10 N N . TRP A 2 ? 0.8267 1.1510 1.5135 -0.2711 -0.0688 0.0348 3 TRP A N 11 C CA . TRP A 2 ? 0.8187 1.0951 1.4346 -0.2700 -0.0581 0.0350 3 TRP A CA 12 C C . TRP A 2 ? 0.7497 1.0252 1.3170 -0.2375 -0.0607 0.0320 3 TRP A C 13 O O . TRP A 2 ? 0.7276 1.0201 1.3065 -0.2297 -0.0966 0.0292 3 TRP A O 14 C CB . TRP A 2 ? 0.9268 1.1486 1.4871 -0.2891 -0.0913 0.0261 3 TRP A CB 15 C CG . TRP A 2 ? 1.0977 1.3066 1.6849 -0.3186 -0.0850 0.0270 3 TRP A CG 16 C CD1 . TRP A 2 ? 1.1314 1.3700 1.7738 -0.3280 -0.0501 0.0360 3 TRP A CD1 17 C CD2 . TRP A 2 ? 1.1960 1.3541 1.7457 -0.3409 -0.1121 0.0171 3 TRP A CD2 18 N NE1 . TRP A 2 ? 1.1719 1.3840 1.8179 -0.3565 -0.0550 0.0343 3 TRP A NE1 19 C CE2 . TRP A 2 ? 1.2410 1.4025 1.8320 -0.3641 -0.0929 0.0219 3 TRP A CE2 20 C CE3 . TRP A 2 ? 1.1999 1.3064 1.6789 -0.3431 -0.1483 0.0029 3 TRP A CE3 21 C CZ2 . TRP A 2 ? 1.3176 1.4334 1.8877 -0.3892 -0.1106 0.0134 3 TRP A CZ2 22 C CZ3 . TRP A 2 ? 1.2956 1.3547 1.7497 -0.3659 -0.1636 -0.0077 3 TRP A CZ3 23 C CH2 . TRP A 2 ? 1.3599 1.4242 1.8623 -0.3886 -0.1459 -0.0022 3 TRP A CH2 24 N N . PRO A 3 ? 0.7485 1.0006 1.2568 -0.2191 -0.0244 0.0335 4 PRO A N 25 C CA . PRO A 3 ? 0.7055 0.9578 1.1714 -0.1891 -0.0217 0.0309 4 PRO A CA 26 C C . PRO A 3 ? 0.6777 0.8849 1.0578 -0.1800 -0.0467 0.0226 4 PRO A C 27 O O . PRO A 3 ? 0.7249 0.8871 1.0501 -0.1859 -0.0426 0.0191 4 PRO A O 28 C CB . PRO A 3 ? 0.5953 0.8401 1.0374 -0.1785 0.0267 0.0360 4 PRO A CB 29 C CG . PRO A 3 ? 0.7127 0.9306 1.1477 -0.2017 0.0450 0.0415 4 PRO A CG 30 C CD . PRO A 3 ? 0.7463 0.9642 1.2188 -0.2274 0.0116 0.0387 4 PRO A CD 31 N N . GLU A 4 ? 0.5233 0.7418 0.8945 -0.1654 -0.0704 0.0199 5 GLU A N 32 C CA . GLU A 4 ? 0.5936 0.7739 0.8869 -0.1572 -0.0903 0.0120 5 GLU A CA 33 C C . GLU A 4 ? 0.5875 0.7425 0.8207 -0.1375 -0.0618 0.0107 5 GLU A C 34 O O . GLU A 4 ? 0.5566 0.7289 0.8047 -0.1255 -0.0343 0.0162 5 GLU A O 35 C CB . GLU A 4 ? 0.7795 0.9783 1.0801 -0.1489 -0.1217 0.0131 5 GLU A CB 36 C CG . GLU A 4 ? 0.8714 1.0926 1.2276 -0.1680 -0.1606 0.0154 5 GLU A CG 37 C CD . GLU A 4 ? 0.9430 1.1244 1.2557 -0.1904 -0.1878 0.0057 5 GLU A CD 38 O OE1 . GLU A 4 ? 0.9136 1.0494 1.1431 -0.1856 -0.1850 -0.0038 5 GLU A OE1 39 O OE2 . GLU A 4 ? 1.0272 1.2227 1.3918 -0.2131 -0.2114 0.0064 5 GLU A OE2 40 N N . PRO A 5 ? 0.6183 0.7317 0.7846 -0.1344 -0.0686 0.0024 6 PRO A N 41 C CA . PRO A 5 ? 0.5726 0.6658 0.6897 -0.1149 -0.0474 0.0013 6 PRO A CA 42 C C . PRO A 5 ? 0.5002 0.6178 0.6188 -0.0961 -0.0449 0.0044 6 PRO A C 43 O O . PRO A 5 ? 0.5368 0.6689 0.6651 -0.0961 -0.0666 0.0044 6 PRO A O 44 C CB . PRO A 5 ? 0.6315 0.6824 0.6913 -0.1159 -0.0594 -0.0103 6 PRO A CB 45 C CG . PRO A 5 ? 0.6359 0.6870 0.7016 -0.1328 -0.0911 -0.0160 6 PRO A CG 46 C CD . PRO A 5 ? 0.5976 0.6800 0.7323 -0.1490 -0.0961 -0.0079 6 PRO A CD 47 N N . VAL A 6 ? 0.4141 0.5324 0.5208 -0.0816 -0.0211 0.0078 7 VAL A N 48 C CA . VAL A 6 ? 0.3644 0.5031 0.4759 -0.0656 -0.0171 0.0100 7 VAL A CA 49 C C . VAL A 6 ? 0.4098 0.5317 0.4750 -0.0541 -0.0236 0.0055 7 VAL A C 50 O O . VAL A 6 ? 0.4938 0.5946 0.5256 -0.0471 -0.0130 0.0030 7 VAL A O 51 C CB . VAL A 6 ? 0.3989 0.5446 0.5167 -0.0576 0.0106 0.0141 7 VAL A CB 52 C CG1 . VAL A 6 ? 0.2556 0.4164 0.3756 -0.0419 0.0135 0.0136 7 VAL A CG1 53 C CG2 . VAL A 6 ? 0.2830 0.4479 0.4492 -0.0698 0.0246 0.0185 7 VAL A CG2 54 N N . PHE A 7 ? 0.3947 0.5262 0.4614 -0.0524 -0.0413 0.0059 8 PHE A N 55 C CA . PHE A 7 ? 0.3839 0.5032 0.4113 -0.0436 -0.0441 0.0034 8 PHE A CA 56 C C . PHE A 7 ? 0.4303 0.5645 0.4706 -0.0420 -0.0613 0.0094 8 PHE A C 57 O O . PHE A 7 ? 0.4441 0.5933 0.5188 -0.0492 -0.0785 0.0139 8 PHE A O 58 C CB . PHE A 7 ? 0.3157 0.4050 0.2993 -0.0499 -0.0495 -0.0052 8 PHE A CB 59 C CG . PHE A 7 ? 0.4465 0.5280 0.4245 -0.0657 -0.0741 -0.0075 8 PHE A CG 60 C CD1 . PHE A 7 ? 0.4595 0.5356 0.4109 -0.0684 -0.0918 -0.0060 8 PHE A CD1 61 C CD2 . PHE A 7 ? 0.4641 0.5406 0.4602 -0.0799 -0.0815 -0.0101 8 PHE A CD2 62 C CE1 . PHE A 7 ? 0.4052 0.4701 0.3440 -0.0844 -0.1196 -0.0075 8 PHE A CE1 63 C CE2 . PHE A 7 ? 0.3970 0.4652 0.3880 -0.0966 -0.1092 -0.0130 8 PHE A CE2 64 C CZ . PHE A 7 ? 0.4196 0.4814 0.3796 -0.0985 -0.1300 -0.0118 8 PHE A CZ 65 N N . GLY A 8 ? 0.4527 0.5824 0.4697 -0.0332 -0.0583 0.0109 9 GLY A N 66 C CA . GLY A 8 ? 0.3248 0.4620 0.3498 -0.0315 -0.0747 0.0191 9 GLY A CA 67 C C . GLY A 8 ? 0.3635 0.4925 0.3616 -0.0241 -0.0673 0.0213 9 GLY A C 68 O O . GLY A 8 ? 0.3852 0.5062 0.3611 -0.0201 -0.0500 0.0155 9 GLY A O 69 N N . ARG A 9 ? 0.5014 0.6330 0.5075 -0.0226 -0.0818 0.0311 10 ARG A N 70 C CA . ARG A 9 ? 0.4507 0.5715 0.4316 -0.0197 -0.0776 0.0360 10 ARG A CA 71 C C . ARG A 9 ? 0.4169 0.5479 0.4344 -0.0099 -0.0792 0.0427 10 ARG A C 72 O O . ARG A 9 ? 0.4236 0.5639 0.4765 -0.0073 -0.0954 0.0492 10 ARG A O 73 C CB . ARG A 9 ? 0.4449 0.5444 0.3808 -0.0309 -0.0949 0.0430 10 ARG A CB 74 C CG . ARG A 9 ? 0.4516 0.5382 0.3651 -0.0313 -0.0948 0.0539 10 ARG A CG 75 C CD . ARG A 9 ? 0.4508 0.5107 0.3090 -0.0449 -0.1126 0.0623 10 ARG A CD 76 N NE . ARG A 9 ? 0.4865 0.5296 0.3198 -0.0481 -0.1141 0.0768 10 ARG A NE 77 C CZ . ARG A 9 ? 0.5298 0.5670 0.3779 -0.0466 -0.1389 0.0940 10 ARG A CZ 78 N NH1 . ARG A 9 ? 0.4404 0.4928 0.3358 -0.0404 -0.1632 0.0974 10 ARG A NH1 79 N NH2 . ARG A 9 ? 0.4846 0.5007 0.3052 -0.0513 -0.1386 0.1086 10 ARG A NH2 80 N N . LEU A 10 ? 0.3777 0.5065 0.3908 -0.0043 -0.0632 0.0402 11 LEU A N 81 C CA . LEU A 10 ? 0.3846 0.5156 0.4261 0.0043 -0.0630 0.0434 11 LEU A CA 82 C C . LEU A 10 ? 0.4208 0.5354 0.4391 0.0006 -0.0640 0.0513 11 LEU A C 83 O O . LEU A 10 ? 0.4007 0.5116 0.3938 -0.0042 -0.0511 0.0478 11 LEU A O 84 C CB . LEU A 10 ? 0.4456 0.5854 0.5042 0.0123 -0.0439 0.0317 11 LEU A CB 85 C CG . LEU A 10 ? 0.4072 0.5597 0.4810 0.0133 -0.0356 0.0244 11 LEU A CG 86 C CD1 . LEU A 10 ? 0.2999 0.4527 0.3750 0.0195 -0.0170 0.0148 11 LEU A CD1 87 C CD2 . LEU A 10 ? 0.3115 0.4772 0.4264 0.0150 -0.0463 0.0288 11 LEU A CD2 88 N N . VAL A 11 ? 0.2880 0.3930 0.3198 0.0028 -0.0789 0.0628 12 VAL A N 89 C CA . VAL A 11 ? 0.3438 0.4289 0.3543 -0.0030 -0.0801 0.0732 12 VAL A CA 90 C C . VAL A 11 ? 0.4386 0.5149 0.4821 0.0059 -0.0847 0.0765 12 VAL A C 91 O O . VAL A 11 ? 0.4391 0.5235 0.5222 0.0176 -0.0901 0.0730 12 VAL A O 92 C CB . VAL A 11 ? 0.5407 0.6066 0.5131 -0.0140 -0.0981 0.0899 12 VAL A CB 93 C CG1 . VAL A 11 ? 0.7310 0.7970 0.6604 -0.0242 -0.0895 0.0837 12 VAL A CG1 94 C CG2 . VAL A 11 ? 0.4630 0.5283 0.4608 -0.0087 -0.1267 0.1003 12 VAL A CG2 95 N N . SER A 12 ? 0.4601 0.5189 0.4900 -0.0002 -0.0804 0.0824 13 SER A N 96 C CA . SER A 12 ? 0.3822 0.4230 0.4376 0.0060 -0.0867 0.0867 13 SER A CA 97 C C . SER A 12 ? 0.4719 0.4963 0.5341 0.0090 -0.1123 0.1059 13 SER A C 98 O O . SER A 12 ? 0.5684 0.5865 0.5971 -0.0007 -0.1250 0.1197 13 SER A O 99 C CB . SER A 12 ? 0.3826 0.4069 0.4219 -0.0054 -0.0774 0.0898 13 SER A CB 100 O OG . SER A 12 ? 0.4827 0.4941 0.4835 -0.0205 -0.0795 0.1070 13 SER A OG 101 N N . PRO A 13 ? 0.5564 0.5715 0.6611 0.0230 -0.1210 0.1065 14 PRO A N 102 C CA . PRO A 13 ? 0.4640 0.4643 0.5874 0.0295 -0.1497 0.1261 14 PRO A CA 103 C C . PRO A 13 ? 0.5326 0.4998 0.6078 0.0141 -0.1660 0.1514 14 PRO A C 104 O O . PRO A 13 ? 0.5513 0.4941 0.6102 0.0062 -0.1574 0.1564 14 PRO A O 105 C CB . PRO A 13 ? 0.4486 0.4374 0.6240 0.0471 -0.1477 0.1190 14 PRO A CB 106 C CG . PRO A 13 ? 0.3829 0.3920 0.5701 0.0522 -0.1186 0.0914 14 PRO A CG 107 C CD . PRO A 13 ? 0.4810 0.4968 0.6184 0.0346 -0.1047 0.0874 14 PRO A CD 108 N N . GLY A 14 ? 0.5322 0.4967 0.5815 0.0078 -0.1893 0.1674 15 GLY A N 109 C CA . GLY A 14 ? 0.6543 0.5817 0.6477 -0.0076 -0.2067 0.1937 15 GLY A CA 110 C C . GLY A 14 ? 0.7202 0.6439 0.6439 -0.0290 -0.1864 0.1926 15 GLY A C 111 O O . GLY A 14 ? 0.7832 0.6740 0.6496 -0.0450 -0.1935 0.2133 15 GLY A O 112 N N . PHE A 15 ? 0.6733 0.6285 0.6015 -0.0289 -0.1598 0.1688 16 PHE A N 113 C CA . PHE A 15 ? 0.6454 0.6019 0.5194 -0.0453 -0.1366 0.1635 16 PHE A CA 114 C C . PHE A 15 ? 0.6951 0.6311 0.5066 -0.0580 -0.1546 0.1772 16 PHE A C 115 O O . PHE A 15 ? 0.6972 0.6377 0.5185 -0.0523 -0.1826 0.1796 16 PHE A O 116 C CB . PHE A 15 ? 0.6148 0.6078 0.5117 -0.0388 -0.1139 0.1371 16 PHE A CB 117 C CG . PHE A 15 ? 0.6488 0.6462 0.5080 -0.0510 -0.0856 0.1288 16 PHE A CG 118 C CD1 . PHE A 15 ? 0.5428 0.5460 0.4152 -0.0550 -0.0618 0.1240 16 PHE A CD1 119 C CD2 . PHE A 15 ? 0.7025 0.6979 0.5171 -0.0586 -0.0830 0.1247 16 PHE A CD2 120 C CE1 . PHE A 15 ? 0.5868 0.5988 0.4372 -0.0644 -0.0348 0.1165 16 PHE A CE1 121 C CE2 . PHE A 15 ? 0.6069 0.6057 0.3924 -0.0672 -0.0534 0.1153 16 PHE A CE2 122 C CZ . PHE A 15 ? 0.5667 0.5766 0.3745 -0.0692 -0.0286 0.1117 16 PHE A CZ 123 N N . PRO A 16 ? 0.7842 0.6969 0.5305 -0.0766 -0.1381 0.1854 17 PRO A N 124 C CA . PRO A 16 ? 0.7985 0.7113 0.5363 -0.0866 -0.1018 0.1821 17 PRO A CA 125 C C . PRO A 16 ? 0.9133 0.8011 0.6616 -0.0919 -0.1037 0.2013 17 PRO A C 126 O O . PRO A 16 ? 0.9800 0.8700 0.7292 -0.1025 -0.0749 0.1994 17 PRO A O 127 C CB . PRO A 16 ? 0.8274 0.7216 0.4865 -0.1052 -0.0850 0.1849 17 PRO A CB 128 C CG . PRO A 16 ? 0.7477 0.6090 0.3572 -0.1104 -0.1224 0.2036 17 PRO A CG 129 C CD . PRO A 16 ? 0.7541 0.6382 0.4252 -0.0910 -0.1547 0.1976 17 PRO A CD 130 N N . GLU A 17 ? 0.9592 0.8235 0.7204 -0.0849 -0.1373 0.2196 18 GLU A N 131 C CA . GLU A 17 ? 0.9234 0.7577 0.6968 -0.0890 -0.1409 0.2380 18 GLU A CA 132 C C . GLU A 17 ? 0.8571 0.7140 0.6986 -0.0781 -0.1248 0.2185 18 GLU A C 133 O O . GLU A 17 ? 0.7177 0.6120 0.5954 -0.0656 -0.1151 0.1934 18 GLU A O 134 C CB . GLU A 17 ? 0.9484 0.7501 0.7253 -0.0806 -0.1838 0.2622 18 GLU A CB 135 C CG . GLU A 17 ? 1.2157 0.9839 0.9166 -0.0949 -0.2029 0.2842 18 GLU A CG 136 C CD . GLU A 17 ? 1.3787 1.1266 1.1025 -0.0820 -0.2416 0.2976 18 GLU A CD 137 O OE1 . GLU A 17 ? 1.3748 1.1356 1.1715 -0.0610 -0.2588 0.2941 18 GLU A OE1 138 O OE2 . GLU A 17 ? 1.4299 1.1492 1.1006 -0.0924 -0.2535 0.3109 18 GLU A OE2 139 N N . LYS A 18 ? 0.8811 0.7105 0.7346 -0.0847 -0.1233 0.2306 19 LYS A N 140 C CA . LYS A 18 ? 0.7266 0.5682 0.6361 -0.0778 -0.1112 0.2122 19 LYS A CA 141 C C . LYS A 18 ? 0.7606 0.6160 0.7230 -0.0516 -0.1275 0.1959 19 LYS A C 142 O O . LYS A 18 ? 0.8348 0.6801 0.8036 -0.0390 -0.1534 0.2069 19 LYS A O 143 C CB . LYS A 18 ? 0.7080 0.5080 0.6189 -0.0910 -0.1121 0.2304 19 LYS A CB 144 C CG . LYS A 18 ? 0.8359 0.5961 0.7646 -0.0774 -0.1442 0.2472 19 LYS A CG 145 C CD . LYS A 18 ? 0.8932 0.6081 0.8283 -0.0900 -0.1445 0.2626 19 LYS A CD 146 C CE . LYS A 18 ? 0.9714 0.6473 0.8437 -0.1152 -0.1448 0.2977 19 LYS A CE 147 N NZ . LYS A 18 ? 0.9984 0.6220 0.8784 -0.1270 -0.1499 0.3172 19 LYS A NZ 148 N N . TYR A 19 ? 0.7226 0.6011 0.7229 -0.0438 -0.1123 0.1700 20 TYR A N 149 C CA . TYR A 19 ? 0.6354 0.5230 0.6822 -0.0205 -0.1204 0.1528 20 TYR A CA 150 C C . TYR A 19 ? 0.6248 0.4759 0.7009 -0.0151 -0.1273 0.1538 20 TYR A C 151 O O . TYR A 19 ? 0.6105 0.4400 0.6780 -0.0311 -0.1198 0.1578 20 TYR A O 152 C CB . TYR A 19 ? 0.6186 0.5448 0.6799 -0.0146 -0.1012 0.1240 20 TYR A CB 153 C CG . TYR A 19 ? 0.6625 0.5899 0.7282 -0.0250 -0.0848 0.1097 20 TYR A CG 154 C CD1 . TYR A 19 ? 0.6933 0.6050 0.7863 -0.0173 -0.0847 0.0936 20 TYR A CD1 155 C CD2 . TYR A 19 ? 0.6576 0.6024 0.7028 -0.0423 -0.0699 0.1106 20 TYR A CD2 156 C CE1 . TYR A 19 ? 0.6865 0.5979 0.7822 -0.0289 -0.0755 0.0801 20 TYR A CE1 157 C CE2 . TYR A 19 ? 0.6689 0.6195 0.7278 -0.0522 -0.0596 0.0983 20 TYR A CE2 158 C CZ . TYR A 19 ? 0.6252 0.5584 0.7075 -0.0465 -0.0650 0.0836 20 TYR A CZ 159 O OH . TYR A 19 ? 0.5113 0.4484 0.6055 -0.0584 -0.0604 0.0712 20 TYR A OH 160 N N . GLY A 20 ? 0.5970 0.4406 0.7117 0.0071 -0.1406 0.1496 21 GLY A N 161 C CA . GLY A 20 ? 0.6364 0.4390 0.7808 0.0158 -0.1484 0.1503 21 GLY A CA 162 C C . GLY A 20 ? 0.6415 0.4438 0.8085 0.0217 -0.1301 0.1186 21 GLY A C 163 O O . GLY A 20 ? 0.6648 0.4994 0.8225 0.0181 -0.1128 0.0979 21 GLY A O 164 N N . ASN A 21 ? 0.6843 0.4449 0.8772 0.0306 -0.1356 0.1150 22 ASN A N 165 C CA . ASN A 21 ? 0.6928 0.4418 0.9000 0.0359 -0.1202 0.0831 22 ASN A CA 166 C C . ASN A 21 ? 0.6943 0.4539 0.9395 0.0648 -0.1124 0.0612 22 ASN A C 167 O O . ASN A 21 ? 0.7469 0.5142 1.0232 0.0824 -0.1238 0.0741 22 ASN A O 168 C CB . ASN A 21 ? 0.6717 0.3631 0.8829 0.0273 -0.1274 0.0873 22 ASN A CB 169 C CG . ASN A 21 ? 0.6800 0.3607 0.8594 -0.0035 -0.1315 0.1111 22 ASN A CG 170 O OD1 . ASN A 21 ? 0.6603 0.3763 0.8162 -0.0210 -0.1204 0.1086 22 ASN A OD1 171 N ND2 . ASN A 21 ? 0.7364 0.3673 0.9173 -0.0103 -0.1460 0.1349 22 ASN A ND2 172 N N . HIS A 22 ? 0.6240 0.3839 0.8662 0.0684 -0.0928 0.0285 23 HIS A N 173 C CA . HIS A 22 ? 0.6669 0.4337 0.9399 0.0936 -0.0765 0.0036 23 HIS A CA 174 C C . HIS A 22 ? 0.6207 0.4392 0.9118 0.1047 -0.0729 0.0093 23 HIS A C 175 O O . HIS A 22 ? 0.6190 0.4449 0.9583 0.1276 -0.0697 0.0059 23 HIS A O 176 C CB . HIS A 22 ? 0.7670 0.4897 1.0847 0.1146 -0.0823 0.0027 23 HIS A CB 177 C CG . HIS A 22 ? 0.8790 0.5446 1.1823 0.1066 -0.0814 -0.0117 23 HIS A CG 178 N ND1 . HIS A 22 ? 0.9734 0.6238 1.2529 0.1043 -0.0614 -0.0477 23 HIS A ND1 179 C CD2 . HIS A 22 ? 0.9450 0.5609 1.2516 0.0986 -0.0995 0.0051 23 HIS A CD2 180 C CE1 . HIS A 22 ? 1.0608 0.6556 1.3317 0.0949 -0.0684 -0.0543 23 HIS A CE1 181 N NE2 . HIS A 22 ? 1.0574 0.6306 1.3471 0.0912 -0.0904 -0.0222 23 HIS A NE2 182 N N . GLN A 23 ? 0.5629 0.4171 0.8207 0.0884 -0.0732 0.0173 24 GLN A N 183 C CA . GLN A 23 ? 0.6143 0.5142 0.8849 0.0948 -0.0713 0.0226 24 GLN A CA 184 C C . GLN A 23 ? 0.6249 0.5524 0.8736 0.0921 -0.0476 -0.0005 24 GLN A C 185 O O . GLN A 23 ? 0.6769 0.5962 0.8870 0.0786 -0.0403 -0.0123 24 GLN A O 186 C CB . GLN A 23 ? 0.6485 0.5630 0.8961 0.0795 -0.0915 0.0514 24 GLN A CB 187 C CG . GLN A 23 ? 0.7634 0.6512 1.0271 0.0824 -0.1183 0.0791 24 GLN A CG 188 C CD . GLN A 23 ? 0.9084 0.8057 1.1357 0.0655 -0.1359 0.1059 24 GLN A CD 189 O OE1 . GLN A 23 ? 0.9276 0.8439 1.1149 0.0489 -0.1253 0.1032 24 GLN A OE1 190 N NE2 . GLN A 23 ? 0.9859 0.8672 1.2250 0.0701 -0.1635 0.1317 24 GLN A NE2 191 N N . ASP A 24 ? 0.5321 0.4917 0.8080 0.1041 -0.0374 -0.0052 25 ASP A N 192 C CA . ASP A 24 ? 0.4622 0.4455 0.7162 0.1013 -0.0145 -0.0233 25 ASP A CA 193 C C . ASP A 24 ? 0.3991 0.4244 0.6708 0.1016 -0.0162 -0.0125 25 ASP A C 194 O O . ASP A 24 ? 0.3877 0.4277 0.7108 0.1138 -0.0233 -0.0039 25 ASP A O 195 C CB . ASP A 24 ? 0.4763 0.4447 0.7431 0.1158 0.0128 -0.0509 25 ASP A CB 196 C CG . ASP A 24 ? 0.5291 0.4510 0.7676 0.1125 0.0147 -0.0667 25 ASP A CG 197 O OD1 . ASP A 24 ? 0.6412 0.5550 0.8282 0.0979 0.0184 -0.0777 25 ASP A OD1 198 O OD2 . ASP A 24 ? 0.5047 0.3967 0.7744 0.1242 0.0099 -0.0679 25 ASP A OD2 199 N N . ARG A 25 ? 0.4390 0.4823 0.6714 0.0878 -0.0119 -0.0127 26 ARG A N 200 C CA . ARG A 25 ? 0.4983 0.5763 0.7409 0.0851 -0.0129 -0.0048 26 ARG A CA 201 C C . ARG A 25 ? 0.4928 0.5823 0.7059 0.0798 0.0096 -0.0193 26 ARG A C 202 O O . ARG A 25 ? 0.4966 0.5697 0.6670 0.0729 0.0158 -0.0289 26 ARG A O 203 C CB . ARG A 25 ? 0.6047 0.6881 0.8247 0.0717 -0.0365 0.0160 26 ARG A CB 204 C CG . ARG A 25 ? 0.6919 0.7661 0.9364 0.0751 -0.0624 0.0359 26 ARG A CG 205 C CD . ARG A 25 ? 0.6714 0.7705 0.9685 0.0850 -0.0716 0.0419 26 ARG A CD 206 N NE . ARG A 25 ? 0.7274 0.8211 1.0284 0.0815 -0.1051 0.0658 26 ARG A NE 207 C CZ . ARG A 25 ? 0.8129 0.8867 1.1434 0.0915 -0.1248 0.0788 26 ARG A CZ 208 N NH1 . ARG A 25 ? 0.7989 0.8567 1.1625 0.1069 -0.1120 0.0677 26 ARG A NH1 209 N NH2 . ARG A 25 ? 0.8729 0.9382 1.1957 0.0859 -0.1584 0.1029 26 ARG A NH2 210 N N . SER A 26 ? 0.4878 0.6041 0.7245 0.0818 0.0196 -0.0194 27 SER A N 211 C CA . SER A 26 ? 0.4075 0.5308 0.6142 0.0757 0.0408 -0.0296 27 SER A CA 212 C C . SER A 26 ? 0.3102 0.4633 0.5365 0.0700 0.0398 -0.0206 27 SER A C 213 O O . SER A 26 ? 0.3389 0.5126 0.6197 0.0755 0.0346 -0.0144 27 SER A O 214 C CB . SER A 26 ? 0.4933 0.6053 0.7034 0.0850 0.0713 -0.0497 27 SER A CB 215 O OG . SER A 26 ? 0.5644 0.6745 0.7312 0.0768 0.0905 -0.0573 27 SER A OG 216 N N . TRP A 27 ? 0.3247 0.4785 0.5094 0.0588 0.0425 -0.0196 28 TRP A N 217 C CA . TRP A 27 ? 0.4223 0.5971 0.6181 0.0509 0.0425 -0.0128 28 TRP A CA 218 C C . TRP A 27 ? 0.5115 0.6807 0.6734 0.0451 0.0656 -0.0200 28 TRP A C 219 O O . TRP A 27 ? 0.7620 0.9113 0.8737 0.0420 0.0660 -0.0235 28 TRP A O 220 C CB . TRP A 27 ? 0.4186 0.5940 0.5942 0.0415 0.0173 -0.0006 28 TRP A CB 221 C CG . TRP A 27 ? 0.5188 0.6946 0.7148 0.0438 -0.0073 0.0101 28 TRP A CG 222 C CD1 . TRP A 27 ? 0.5865 0.7782 0.8221 0.0435 -0.0248 0.0197 28 TRP A CD1 223 C CD2 . TRP A 27 ? 0.5264 0.6831 0.7015 0.0447 -0.0193 0.0145 28 TRP A CD2 224 N NE1 . TRP A 27 ? 0.5610 0.7410 0.7950 0.0450 -0.0483 0.0308 28 TRP A NE1 225 C CE2 . TRP A 27 ? 0.4575 0.6156 0.6546 0.0453 -0.0429 0.0281 28 TRP A CE2 226 C CE3 . TRP A 27 ? 0.4847 0.6227 0.6262 0.0436 -0.0141 0.0092 28 TRP A CE3 227 C CZ2 . TRP A 27 ? 0.3280 0.4661 0.5092 0.0443 -0.0579 0.0378 28 TRP A CZ2 228 C CZ3 . TRP A 27 ? 0.4579 0.5806 0.5921 0.0419 -0.0280 0.0173 28 TRP A CZ3 229 C CH2 . TRP A 27 ? 0.3834 0.5045 0.5347 0.0421 -0.0479 0.0320 28 TRP A CH2 230 N N . THR A 28 ? 0.3830 0.5693 0.5740 0.0426 0.0835 -0.0207 29 THR A N 231 C CA . THR A 28 ? 0.2664 0.4438 0.4214 0.0343 0.1049 -0.0234 29 THR A CA 232 C C . THR A 28 ? 0.2805 0.4700 0.4428 0.0221 0.0956 -0.0127 29 THR A C 233 O O . THR A 28 ? 0.3387 0.5518 0.5512 0.0179 0.1003 -0.0093 29 THR A O 234 C CB . THR A 28 ? 0.3375 0.5182 0.5104 0.0377 0.1415 -0.0336 29 THR A CB 235 O OG1 . THR A 28 ? 0.4963 0.6567 0.6507 0.0484 0.1511 -0.0471 29 THR A OG1 236 C CG2 . THR A 28 ? 0.3218 0.4885 0.4492 0.0260 0.1633 -0.0325 29 THR A CG2 237 N N . LEU A 29 ? 0.2733 0.4460 0.3892 0.0166 0.0816 -0.0081 30 LEU A N 238 C CA . LEU A 29 ? 0.3612 0.5362 0.4756 0.0058 0.0718 -0.0003 30 LEU A CA 239 C C . LEU A 29 ? 0.4313 0.5919 0.5178 -0.0025 0.0919 0.0014 30 LEU A C 240 O O . LEU A 29 ? 0.4479 0.5868 0.4891 -0.0000 0.1018 -0.0010 30 LEU A O 241 C CB . LEU A 29 ? 0.4234 0.5865 0.5074 0.0060 0.0485 0.0026 30 LEU A CB 242 C CG . LEU A 29 ? 0.4647 0.6331 0.5596 0.0126 0.0312 0.0028 30 LEU A CG 243 C CD1 . LEU A 29 ? 0.4484 0.6043 0.5096 0.0117 0.0172 0.0047 30 LEU A CD1 244 C CD2 . LEU A 29 ? 0.4585 0.6463 0.5990 0.0105 0.0182 0.0074 30 LEU A CD2 245 N N . THR A 30 ? 0.4801 0.6502 0.5920 -0.0140 0.0957 0.0067 31 THR A N 246 C CA . THR A 30 ? 0.3976 0.5521 0.4870 -0.0246 0.1167 0.0113 31 THR A CA 247 C C . THR A 30 ? 0.4981 0.6450 0.5886 -0.0373 0.1039 0.0185 31 THR A C 248 O O . THR A 30 ? 0.5284 0.6954 0.6643 -0.0447 0.0925 0.0192 31 THR A O 249 C CB . THR A 30 ? 0.4747 0.6478 0.6029 -0.0293 0.1487 0.0092 31 THR A CB 250 O OG1 . THR A 30 ? 0.6004 0.7766 0.7281 -0.0161 0.1624 -0.0007 31 THR A OG1 251 C CG2 . THR A 30 ? 0.5313 0.6820 0.6243 -0.0423 0.1744 0.0158 31 THR A CG2 252 N N . ALA A 31 ? 0.5322 0.6471 0.5726 -0.0397 0.1033 0.0236 32 ALA A N 253 C CA . ALA A 31 ? 0.4484 0.5466 0.4845 -0.0510 0.0942 0.0294 32 ALA A CA 254 C C . ALA A 31 ? 0.4851 0.5715 0.5196 -0.0663 0.1187 0.0381 32 ALA A C 255 O O . ALA A 31 ? 0.5675 0.6517 0.5868 -0.0663 0.1435 0.0398 32 ALA A O 256 C CB . ALA A 31 ? 0.4294 0.4981 0.4195 -0.0423 0.0778 0.0306 32 ALA A CB 257 N N . PRO A 32 ? 0.4437 0.5193 0.4911 -0.0812 0.1135 0.0431 33 PRO A N 258 C CA . PRO A 32 ? 0.5193 0.5772 0.5607 -0.0985 0.1372 0.0542 33 PRO A CA 259 C C . PRO A 32 ? 0.5461 0.5603 0.5170 -0.0943 0.1446 0.0641 33 PRO A C 260 O O . PRO A 32 ? 0.5909 0.5888 0.5268 -0.0787 0.1250 0.0620 33 PRO A O 261 C CB . PRO A 32 ? 0.4545 0.5023 0.5189 -0.1139 0.1211 0.0557 33 PRO A CB 262 C CG . PRO A 32 ? 0.4331 0.5091 0.5329 -0.1081 0.0952 0.0438 33 PRO A CG 263 C CD . PRO A 32 ? 0.4006 0.4800 0.4711 -0.0856 0.0874 0.0379 33 PRO A CD 264 N N . PRO A 33 ? 0.5175 0.5130 0.4687 -0.1088 0.1723 0.0758 34 PRO A N 265 C CA . PRO A 33 ? 0.7448 0.6918 0.6216 -0.1071 0.1753 0.0889 34 PRO A CA 266 C C . PRO A 33 ? 0.7338 0.6437 0.5883 -0.1034 0.1471 0.0960 34 PRO A C 267 O O . PRO A 33 ? 0.7808 0.6855 0.6655 -0.1148 0.1411 0.0970 34 PRO A O 268 C CB . PRO A 33 ? 0.6236 0.5575 0.4912 -0.1293 0.2125 0.1016 34 PRO A CB 269 C CG . PRO A 33 ? 0.5951 0.5695 0.5443 -0.1443 0.2230 0.0962 34 PRO A CG 270 C CD . PRO A 33 ? 0.5307 0.5498 0.5279 -0.1278 0.2034 0.0785 34 PRO A CD 271 N N . GLY A 34 ? 0.5953 0.4791 0.4010 -0.0873 0.1293 0.0997 35 GLY A N 272 C CA . GLY A 34 ? 0.6068 0.4579 0.3991 -0.0786 0.1031 0.1050 35 GLY A CA 273 C C . GLY A 34 ? 0.6132 0.4902 0.4366 -0.0611 0.0805 0.0882 35 GLY A C 274 O O . GLY A 34 ? 0.6271 0.4832 0.4451 -0.0491 0.0607 0.0882 35 GLY A O 275 N N . PHE A 35 ? 0.5042 0.4253 0.3611 -0.0594 0.0851 0.0743 36 PHE A N 276 C CA . PHE A 35 ? 0.5562 0.5015 0.4369 -0.0454 0.0670 0.0599 36 PHE A CA 277 C C . PHE A 35 ? 0.5842 0.5511 0.4561 -0.0323 0.0650 0.0545 36 PHE A C 278 O O . PHE A 35 ? 0.5475 0.5208 0.4071 -0.0361 0.0807 0.0563 36 PHE A O 279 C CB . PHE A 35 ? 0.4693 0.4429 0.3962 -0.0552 0.0672 0.0495 36 PHE A CB 280 C CG . PHE A 35 ? 0.5104 0.4614 0.4478 -0.0693 0.0637 0.0510 36 PHE A CG 281 C CD1 . PHE A 35 ? 0.4770 0.4226 0.4278 -0.0898 0.0795 0.0598 36 PHE A CD1 282 C CD2 . PHE A 35 ? 0.5536 0.4873 0.4882 -0.0633 0.0468 0.0423 36 PHE A CD2 283 C CE1 . PHE A 35 ? 0.5114 0.4334 0.4735 -0.1054 0.0745 0.0606 36 PHE A CE1 284 C CE2 . PHE A 35 ? 0.4812 0.3879 0.4217 -0.0771 0.0428 0.0410 36 PHE A CE2 285 C CZ . PHE A 35 ? 0.5060 0.4062 0.4608 -0.0989 0.0546 0.0505 36 PHE A CZ 286 N N . ARG A 36 ? 0.6082 0.5841 0.4861 -0.0179 0.0476 0.0468 37 ARG A N 287 C CA . ARG A 36 ? 0.5601 0.5572 0.4368 -0.0077 0.0432 0.0405 37 ARG A CA 288 C C . ARG A 36 ? 0.5542 0.5794 0.4639 -0.0034 0.0360 0.0290 37 ARG A C 289 O O . ARG A 36 ? 0.5113 0.5363 0.4370 -0.0076 0.0327 0.0252 37 ARG A O 290 C CB . ARG A 36 ? 0.5558 0.5352 0.4052 0.0044 0.0277 0.0458 37 ARG A CB 291 C CG . ARG A 36 ? 0.5301 0.5051 0.3956 0.0155 0.0125 0.0436 37 ARG A CG 292 C CD . ARG A 36 ? 0.4491 0.4152 0.3024 0.0284 -0.0055 0.0492 37 ARG A CD 293 N NE . ARG A 36 ? 0.4830 0.4487 0.3623 0.0412 -0.0156 0.0460 37 ARG A NE 294 C CZ . ARG A 36 ? 0.5683 0.5350 0.4577 0.0548 -0.0329 0.0492 37 ARG A CZ 295 N NH1 . ARG A 36 ? 0.5848 0.5502 0.4540 0.0556 -0.0468 0.0562 37 ARG A NH1 296 N NH2 . ARG A 36 ? 0.5473 0.5162 0.4686 0.0674 -0.0362 0.0444 37 ARG A NH2 297 N N . LEU A 37 ? 0.5081 0.5525 0.4225 0.0035 0.0328 0.0235 38 LEU A N 298 C CA . LEU A 37 ? 0.4520 0.5192 0.3914 0.0058 0.0269 0.0156 38 LEU A CA 299 C C . LEU A 37 ? 0.5498 0.6195 0.4878 0.0162 0.0160 0.0126 38 LEU A C 300 O O . LEU A 37 ? 0.6393 0.7070 0.5671 0.0226 0.0108 0.0143 38 LEU A O 301 C CB . LEU A 37 ? 0.4652 0.5526 0.4200 0.0045 0.0331 0.0123 38 LEU A CB 302 C CG . LEU A 37 ? 0.4982 0.5926 0.4712 -0.0050 0.0468 0.0139 38 LEU A CG 303 C CD1 . LEU A 37 ? 0.6464 0.7566 0.6347 -0.0018 0.0566 0.0095 38 LEU A CD1 304 C CD2 . LEU A 37 ? 0.3329 0.4372 0.3330 -0.0129 0.0392 0.0132 38 LEU A CD2 305 N N . ARG A 38 ? 0.5834 0.6570 0.5315 0.0166 0.0130 0.0076 39 ARG A N 306 C CA . ARG A 38 ? 0.4555 0.5357 0.4092 0.0249 0.0090 0.0037 39 ARG A CA 307 C C . ARG A 38 ? 0.5191 0.6179 0.4818 0.0218 0.0087 0.0006 39 ARG A C 308 O O . ARG A 38 ? 0.5531 0.6535 0.5157 0.0144 0.0084 -0.0010 39 ARG A O 309 C CB . ARG A 38 ? 0.4363 0.5017 0.3884 0.0280 0.0111 -0.0010 39 ARG A CB 310 C CG . ARG A 38 ? 0.4630 0.5371 0.4272 0.0374 0.0134 -0.0061 39 ARG A CG 311 C CD . ARG A 38 ? 0.5366 0.5924 0.4987 0.0421 0.0206 -0.0142 39 ARG A CD 312 N NE . ARG A 38 ? 0.6498 0.6986 0.5941 0.0317 0.0260 -0.0225 39 ARG A NE 313 C CZ . ARG A 38 ? 0.6242 0.6536 0.5533 0.0220 0.0227 -0.0247 39 ARG A CZ 314 N NH1 . ARG A 38 ? 0.6920 0.7072 0.6229 0.0209 0.0186 -0.0185 39 ARG A NH1 315 N NH2 . ARG A 38 ? 0.4855 0.5076 0.3954 0.0115 0.0224 -0.0324 39 ARG A NH2 316 N N . LEU A 39 ? 0.5493 0.6598 0.5195 0.0262 0.0062 0.0009 40 LEU A N 317 C CA . LEU A 39 ? 0.4113 0.5345 0.3887 0.0224 0.0055 0.0005 40 LEU A CA 318 C C . LEU A 39 ? 0.4526 0.5847 0.4397 0.0251 0.0076 -0.0009 40 LEU A C 319 O O . LEU A 39 ? 0.4961 0.6321 0.4946 0.0313 0.0052 -0.0011 40 LEU A O 320 C CB . LEU A 39 ? 0.4208 0.5480 0.4021 0.0218 0.0028 0.0019 40 LEU A CB 321 C CG . LEU A 39 ? 0.4764 0.6107 0.4673 0.0185 0.0003 0.0032 40 LEU A CG 322 C CD1 . LEU A 39 ? 0.5449 0.6791 0.5433 0.0188 0.0016 0.0027 40 LEU A CD1 323 C CD2 . LEU A 39 ? 0.4719 0.6107 0.4695 0.0190 -0.0025 0.0030 40 LEU A CD2 324 N N . TYR A 40 ? 0.5330 0.6683 0.5168 0.0194 0.0117 -0.0007 41 TYR A N 325 C CA . TYR A 40 ? 0.4091 0.5540 0.4033 0.0188 0.0194 -0.0012 41 TYR A CA 326 C C . TYR A 40 ? 0.3933 0.5372 0.3773 0.0093 0.0204 0.0040 41 TYR A C 327 O O . TYR A 40 ? 0.4067 0.5413 0.3741 0.0046 0.0136 0.0071 41 TYR A O 328 C CB . TYR A 40 ? 0.3867 0.5277 0.3787 0.0230 0.0324 -0.0077 41 TYR A CB 329 C CG . TYR A 40 ? 0.3948 0.5166 0.3561 0.0184 0.0355 -0.0121 41 TYR A CG 330 C CD1 . TYR A 40 ? 0.4587 0.5672 0.4134 0.0207 0.0293 -0.0144 41 TYR A CD1 331 C CD2 . TYR A 40 ? 0.4081 0.5214 0.3432 0.0097 0.0435 -0.0136 41 TYR A CD2 332 C CE1 . TYR A 40 ? 0.5307 0.6205 0.4599 0.0140 0.0289 -0.0195 41 TYR A CE1 333 C CE2 . TYR A 40 ? 0.4013 0.4930 0.3026 0.0034 0.0417 -0.0189 41 TYR A CE2 334 C CZ . TYR A 40 ? 0.4685 0.5497 0.3703 0.0055 0.0334 -0.0226 41 TYR A CZ 335 O OH . TYR A 40 ? 0.3437 0.4025 0.2148 -0.0031 0.0285 -0.0288 41 TYR A OH 336 N N . PHE A 41 ? 0.4100 0.5635 0.4072 0.0057 0.0273 0.0064 42 PHE A N 337 C CA . PHE A 41 ? 0.4365 0.5843 0.4216 -0.0047 0.0283 0.0145 42 PHE A CA 338 C C . PHE A 41 ? 0.4831 0.6264 0.4482 -0.0117 0.0470 0.0144 42 PHE A C 339 O O . PHE A 41 ? 0.5297 0.6856 0.5133 -0.0089 0.0637 0.0087 42 PHE A O 340 C CB . PHE A 41 ? 0.3901 0.5465 0.4012 -0.0079 0.0238 0.0187 42 PHE A CB 341 C CG . PHE A 41 ? 0.3527 0.5052 0.3718 -0.0031 0.0080 0.0174 42 PHE A CG 342 C CD1 . PHE A 41 ? 0.3853 0.5434 0.4146 0.0048 0.0026 0.0105 42 PHE A CD1 343 C CD2 . PHE A 41 ? 0.3104 0.4505 0.3246 -0.0062 -0.0005 0.0232 42 PHE A CD2 344 C CE1 . PHE A 41 ? 0.2883 0.4386 0.3159 0.0080 -0.0071 0.0076 42 PHE A CE1 345 C CE2 . PHE A 41 ? 0.3140 0.4490 0.3363 -0.0006 -0.0095 0.0190 42 PHE A CE2 346 C CZ . PHE A 41 ? 0.3203 0.4599 0.3458 0.0057 -0.0108 0.0103 42 PHE A CZ 347 N N . THR A 42 ? 0.4357 0.5601 0.3628 -0.0208 0.0444 0.0208 43 THR A N 348 C CA . THR A 42 ? 0.4755 0.5885 0.3697 -0.0310 0.0637 0.0223 43 THR A CA 349 C C . THR A 42 ? 0.4424 0.5552 0.3406 -0.0421 0.0682 0.0355 43 THR A C 350 O O . THR A 42 ? 0.4799 0.5899 0.3637 -0.0516 0.0916 0.0376 43 THR A O 351 C CB . THR A 42 ? 0.4997 0.5851 0.3382 -0.0380 0.0555 0.0233 43 THR A CB 352 O OG1 . THR A 42 ? 0.5456 0.6232 0.3813 -0.0404 0.0278 0.0351 43 THR A OG1 353 C CG2 . THR A 42 ? 0.4465 0.5277 0.2786 -0.0305 0.0558 0.0085 43 THR A CG2 354 N N . HIS A 43 ? 0.3712 0.4843 0.2891 -0.0414 0.0481 0.0438 44 HIS A N 355 C CA . HIS A 43 ? 0.4582 0.5659 0.3830 -0.0523 0.0493 0.0568 44 HIS A CA 356 C C . HIS A 43 ? 0.4171 0.5345 0.3847 -0.0466 0.0340 0.0557 44 HIS A C 357 O O . HIS A 43 ? 0.4122 0.5295 0.3876 -0.0360 0.0176 0.0506 44 HIS A O 358 C CB . HIS A 43 ? 0.4964 0.5735 0.3757 -0.0620 0.0374 0.0726 44 HIS A CB 359 C CG . HIS A 43 ? 0.5294 0.5927 0.4051 -0.0761 0.0423 0.0888 44 HIS A CG 360 N ND1 . HIS A 43 ? 0.6350 0.6884 0.4796 -0.0918 0.0672 0.0963 44 HIS A ND1 361 C CD2 . HIS A 43 ? 0.4730 0.5269 0.3710 -0.0780 0.0275 0.0989 44 HIS A CD2 362 C CE1 . HIS A 43 ? 0.4972 0.5366 0.3458 -0.1042 0.0667 0.1126 44 HIS A CE1 363 N NE2 . HIS A 43 ? 0.5264 0.5645 0.4079 -0.0957 0.0412 0.1141 44 HIS A NE2 364 N N . PHE A 44 ? 0.4080 0.5324 0.4024 -0.0551 0.0409 0.0595 45 PHE A N 365 C CA . PHE A 44 ? 0.3706 0.4968 0.3980 -0.0526 0.0253 0.0568 45 PHE A CA 366 C C . PHE A 44 ? 0.4511 0.5733 0.4979 -0.0683 0.0304 0.0658 45 PHE A C 367 O O . PHE A 44 ? 0.4797 0.6208 0.5478 -0.0774 0.0484 0.0660 45 PHE A O 368 C CB . PHE A 44 ? 0.3467 0.4958 0.4031 -0.0416 0.0216 0.0419 45 PHE A CB 369 C CG . PHE A 44 ? 0.3331 0.4759 0.4054 -0.0377 0.0032 0.0359 45 PHE A CG 370 C CD1 . PHE A 44 ? 0.3761 0.5222 0.4770 -0.0470 -0.0017 0.0348 45 PHE A CD1 371 C CD2 . PHE A 44 ? 0.3263 0.4584 0.3845 -0.0261 -0.0077 0.0302 45 PHE A CD2 372 C CE1 . PHE A 44 ? 0.3878 0.5212 0.4939 -0.0444 -0.0186 0.0264 45 PHE A CE1 373 C CE2 . PHE A 44 ? 0.3942 0.5161 0.4597 -0.0226 -0.0196 0.0222 45 PHE A CE2 374 C CZ . PHE A 44 ? 0.3821 0.5019 0.4671 -0.0316 -0.0258 0.0194 45 PHE A CZ 375 N N . ASN A 45 ? 0.4560 0.5535 0.5008 -0.0713 0.0152 0.0730 46 ASN A N 376 C CA . ASN A 45 ? 0.5000 0.5855 0.5620 -0.0877 0.0167 0.0825 46 ASN A CA 377 C C . ASN A 45 ? 0.5755 0.6331 0.6431 -0.0836 -0.0047 0.0820 46 ASN A C 378 O O . ASN A 45 ? 0.7372 0.7672 0.7826 -0.0802 -0.0141 0.0930 46 ASN A O 379 C CB . ASN A 45 ? 0.5645 0.6333 0.5958 -0.1037 0.0326 0.1021 46 ASN A CB 380 C CG . ASN A 45 ? 0.6179 0.6728 0.6678 -0.1241 0.0375 0.1145 46 ASN A CG 381 O OD1 . ASN A 45 ? 0.6198 0.6386 0.6555 -0.1291 0.0244 0.1279 46 ASN A OD1 382 N ND2 . ASN A 45 ? 0.6100 0.6934 0.6973 -0.1362 0.0558 0.1107 46 ASN A ND2 383 N N . LEU A 46 ? 0.4890 0.5522 0.5865 -0.0833 -0.0135 0.0684 47 LEU A N 384 C CA . LEU A 46 ? 0.5433 0.5771 0.6452 -0.0785 -0.0304 0.0622 47 LEU A CA 385 C C . LEU A 46 ? 0.6474 0.6697 0.7757 -0.0959 -0.0354 0.0607 47 LEU A C 386 O O . LEU A 46 ? 0.6388 0.6824 0.7894 -0.1118 -0.0260 0.0651 47 LEU A O 387 C CB . LEU A 46 ? 0.4799 0.5210 0.5797 -0.0607 -0.0386 0.0423 47 LEU A CB 388 C CG . LEU A 46 ? 0.4813 0.5152 0.5631 -0.0426 -0.0407 0.0414 47 LEU A CG 389 C CD1 . LEU A 46 ? 0.4043 0.4577 0.4694 -0.0402 -0.0322 0.0509 47 LEU A CD1 390 C CD2 . LEU A 46 ? 0.4100 0.4465 0.4906 -0.0295 -0.0442 0.0213 47 LEU A CD2 391 N N . GLU A 47 ? 0.7229 0.7113 0.8525 -0.0930 -0.0493 0.0535 48 GLU A N 392 C CA . GLU A 47 ? 0.7077 0.6781 0.8600 -0.1100 -0.0581 0.0485 48 GLU A CA 393 C C . GLU A 47 ? 0.6929 0.6869 0.8612 -0.1119 -0.0673 0.0283 48 GLU A C 394 O O . GLU A 47 ? 0.5709 0.5706 0.7223 -0.0955 -0.0724 0.0128 48 GLU A O 395 C CB . GLU A 47 ? 0.6574 0.5775 0.8024 -0.1041 -0.0699 0.0437 48 GLU A CB 396 C CG . GLU A 47 ? 0.6823 0.5748 0.8466 -0.1226 -0.0813 0.0355 48 GLU A CG 397 C CD . GLU A 47 ? 0.7785 0.6175 0.9342 -0.1126 -0.0914 0.0249 48 GLU A CD 398 O OE1 . GLU A 47 ? 0.7877 0.6175 0.9291 -0.0896 -0.0886 0.0233 48 GLU A OE1 399 O OE2 . GLU A 47 ? 0.8220 0.6279 0.9892 -0.1279 -0.1017 0.0174 48 GLU A OE2 400 N N . LEU A 48 ? 0.6363 0.6435 0.8380 -0.1332 -0.0703 0.0299 49 LEU A N 401 C CA . LEU A 48 ? 0.5353 0.5636 0.7569 -0.1374 -0.0862 0.0130 49 LEU A CA 402 C C . LEU A 48 ? 0.5545 0.5417 0.7685 -0.1440 -0.1084 -0.0047 49 LEU A C 403 O O . LEU A 48 ? 0.6308 0.5854 0.8548 -0.1591 -0.1112 -0.0002 49 LEU A O 404 C CB . LEU A 48 ? 0.4760 0.5451 0.7487 -0.1571 -0.0807 0.0223 49 LEU A CB 405 C CG . LEU A 48 ? 0.4797 0.5776 0.7840 -0.1615 -0.1023 0.0083 49 LEU A CG 406 C CD1 . LEU A 48 ? 0.4006 0.5207 0.6835 -0.1383 -0.1044 0.0007 49 LEU A CD1 407 C CD2 . LEU A 48 ? 0.4943 0.6336 0.8655 -0.1826 -0.0956 0.0187 49 LEU A CD2 408 N N . SER A 49 ? 0.4965 0.4802 0.6874 -0.1333 -0.1234 -0.0249 50 SER A N 409 C CA . SER A 49 ? 0.6399 0.5820 0.8129 -0.1400 -0.1447 -0.0463 50 SER A CA 410 C C . SER A 49 ? 0.5780 0.5352 0.7366 -0.1383 -0.1652 -0.0622 50 SER A C 411 O O . SER A 49 ? 0.4906 0.4846 0.6484 -0.1263 -0.1602 -0.0565 50 SER A O 412 C CB . SER A 49 ? 0.7488 0.6430 0.8818 -0.1228 -0.1364 -0.0568 50 SER A CB 413 O OG . SER A 49 ? 0.7297 0.6376 0.8332 -0.0992 -0.1243 -0.0601 50 SER A OG 414 N N . TYR A 50 ? 0.5825 0.5070 0.7260 -0.1509 -0.1903 -0.0816 51 TYR A N 415 C CA . TYR A 50 ? 0.5893 0.5210 0.7106 -0.1518 -0.2160 -0.0954 51 TYR A CA 416 C C . TYR A 50 ? 0.6253 0.5475 0.6874 -0.1276 -0.2047 -0.1035 51 TYR A C 417 O O . TYR A 50 ? 0.6074 0.4890 0.6273 -0.1163 -0.1902 -0.1162 51 TYR A O 418 C CB . TYR A 50 ? 0.6895 0.5773 0.7926 -0.1716 -0.2470 -0.1170 51 TYR A CB 419 C CG . TYR A 50 ? 0.8223 0.7067 0.8852 -0.1724 -0.2773 -0.1314 51 TYR A CG 420 C CD1 . TYR A 50 ? 0.7826 0.7175 0.8852 -0.1776 -0.2991 -0.1195 51 TYR A CD1 421 C CD2 . TYR A 50 ? 1.0071 0.8355 0.9907 -0.1672 -0.2835 -0.1563 51 TYR A CD2 422 C CE1 . TYR A 50 ? 0.8416 0.7699 0.9045 -0.1779 -0.3313 -0.1291 51 TYR A CE1 423 C CE2 . TYR A 50 ? 1.1088 0.9277 1.0435 -0.1698 -0.3125 -0.1674 51 TYR A CE2 424 C CZ . TYR A 50 ? 1.0333 0.9035 1.0075 -0.1737 -0.3352 -0.1510 51 TYR A CZ 425 O OH . TYR A 50 ? 1.1182 0.9830 1.0448 -0.1706 -0.3548 -0.1543 51 TYR A OH 426 N N . ARG A 51 ? 0.6405 0.6006 0.7050 -0.1199 -0.2100 -0.0957 52 ARG A N 427 C CA . ARG A 51 ? 0.6245 0.5815 0.6391 -0.0991 -0.1974 -0.0985 52 ARG A CA 428 C C . ARG A 51 ? 0.6327 0.5882 0.6432 -0.0820 -0.1619 -0.0918 52 ARG A C 429 O O . ARG A 51 ? 0.5962 0.5354 0.5634 -0.0669 -0.1473 -0.0992 52 ARG A O 430 C CB . ARG A 51 ? 0.6398 0.5481 0.5831 -0.1000 -0.2124 -0.1216 52 ARG A CB 431 C CG . ARG A 51 ? 0.7211 0.6304 0.6542 -0.1145 -0.2536 -0.1264 52 ARG A CG 432 C CD . ARG A 51 ? 0.7807 0.6371 0.6236 -0.1139 -0.2644 -0.1479 52 ARG A CD 433 N NE . ARG A 51 ? 0.7149 0.5693 0.5124 -0.0938 -0.2372 -0.1449 52 ARG A NE 434 C CZ . ARG A 51 ? 0.7810 0.5895 0.4956 -0.0898 -0.2299 -0.1618 52 ARG A CZ 435 N NH1 . ARG A 51 ? 0.8583 0.6147 0.5187 -0.1034 -0.2488 -0.1852 52 ARG A NH1 436 N NH2 . ARG A 51 ? 0.7627 0.5750 0.4466 -0.0736 -0.2022 -0.1562 52 ARG A NH2 437 N N . CYS A 52 ? 0.6791 0.6515 0.7351 -0.0859 -0.1491 -0.0767 53 CYS A N 438 C CA . CYS A 52 ? 0.7518 0.7222 0.8086 -0.0722 -0.1225 -0.0674 53 CYS A CA 439 C C . CYS A 52 ? 0.7768 0.7018 0.7980 -0.0617 -0.1138 -0.0839 53 CYS A C 440 O O . CYS A 52 ? 0.7853 0.7105 0.7864 -0.0444 -0.0967 -0.0857 53 CYS A O 441 C CB . CYS A 52 ? 0.6908 0.6962 0.7454 -0.0576 -0.1084 -0.0561 53 CYS A CB 442 S SG . CYS A 52 ? 0.5571 0.6144 0.6592 -0.0655 -0.1099 -0.0380 53 CYS A SG 443 N N . GLU A 53 ? 0.7830 0.6691 0.8012 -0.0727 -0.1245 -0.0967 54 GLU A N 444 C CA . GLU A 53 ? 0.8552 0.6927 0.8413 -0.0626 -0.1155 -0.1171 54 GLU A CA 445 C C . GLU A 53 ? 0.8320 0.6597 0.8425 -0.0494 -0.0968 -0.1069 54 GLU A C 446 O O . GLU A 53 ? 0.7780 0.5915 0.7747 -0.0305 -0.0791 -0.1160 54 GLU A O 447 C CB . GLU A 53 ? 0.9409 0.7337 0.9123 -0.0799 -0.1357 -0.1370 54 GLU A CB 448 C CG . GLU A 53 ? 1.1371 0.8727 1.0716 -0.0694 -0.1242 -0.1629 54 GLU A CG 449 C CD . GLU A 53 ? 1.3253 1.0106 1.2432 -0.0887 -0.1458 -0.1840 54 GLU A CD 450 O OE1 . GLU A 53 ? 1.4219 1.0544 1.2980 -0.0819 -0.1376 -0.2114 54 GLU A OE1 451 O OE2 . GLU A 53 ? 1.3557 1.0537 1.3040 -0.1113 -0.1697 -0.1744 54 GLU A OE2 452 N N . TYR A 54 ? 0.8090 0.6443 0.8573 -0.0599 -0.1009 -0.0867 55 TYR A N 453 C CA . TYR A 54 ? 0.6434 0.4621 0.7126 -0.0500 -0.0905 -0.0737 55 TYR A CA 454 C C . TYR A 54 ? 0.6235 0.4765 0.6981 -0.0326 -0.0761 -0.0584 55 TYR A C 455 O O . TYR A 54 ? 0.7211 0.5681 0.7882 -0.0132 -0.0641 -0.0679 55 TYR A O 456 C CB . TYR A 54 ? 0.6353 0.4477 0.7341 -0.0699 -0.0993 -0.0538 55 TYR A CB 457 C CG . TYR A 54 ? 0.7479 0.5243 0.8488 -0.0904 -0.1155 -0.0677 55 TYR A CG 458 C CD1 . TYR A 54 ? 0.7735 0.5107 0.8452 -0.0867 -0.1213 -0.0981 55 TYR A CD1 459 C CD2 . TYR A 54 ? 0.7826 0.5621 0.9129 -0.1154 -0.1239 -0.0514 55 TYR A CD2 460 C CE1 . TYR A 54 ? 0.8191 0.5192 0.8892 -0.1075 -0.1394 -0.1128 55 TYR A CE1 461 C CE2 . TYR A 54 ? 0.7906 0.5377 0.9280 -0.1370 -0.1410 -0.0641 55 TYR A CE2 462 C CZ . TYR A 54 ? 0.8636 0.5699 0.9701 -0.1331 -0.1509 -0.0953 55 TYR A CZ 463 O OH . TYR A 54 ? 0.9416 0.6111 1.0515 -0.1566 -0.1712 -0.1099 55 TYR A OH 464 N N . ASP A 55 ? 0.6454 0.5336 0.7343 -0.0405 -0.0762 -0.0359 56 ASP A N 465 C CA . ASP A 55 ? 0.6050 0.5248 0.6941 -0.0276 -0.0659 -0.0227 56 ASP A CA 466 C C . ASP A 55 ? 0.5467 0.5027 0.6222 -0.0276 -0.0633 -0.0277 56 ASP A C 467 O O . ASP A 55 ? 0.5818 0.5493 0.6592 -0.0411 -0.0716 -0.0304 56 ASP A O 468 C CB . ASP A 55 ? 0.5479 0.4765 0.6505 -0.0357 -0.0659 0.0043 56 ASP A CB 469 C CG . ASP A 55 ? 0.7509 0.6387 0.8653 -0.0390 -0.0722 0.0142 56 ASP A CG 470 O OD1 . ASP A 55 ? 0.7533 0.6069 0.8708 -0.0305 -0.0751 -0.0014 56 ASP A OD1 471 O OD2 . ASP A 55 ? 0.8494 0.7356 0.9668 -0.0502 -0.0733 0.0376 56 ASP A OD2 472 N N . PHE A 56 ? 0.4763 0.4499 0.5427 -0.0128 -0.0534 -0.0281 57 PHE A N 473 C CA . PHE A 56 ? 0.4678 0.4707 0.5205 -0.0120 -0.0512 -0.0306 57 PHE A CA 474 C C . PHE A 56 ? 0.4557 0.4791 0.5057 0.0004 -0.0402 -0.0243 57 PHE A C 475 O O . PHE A 56 ? 0.6008 0.6165 0.6591 0.0111 -0.0342 -0.0231 57 PHE A O 476 C CB . PHE A 56 ? 0.5080 0.4958 0.5340 -0.0118 -0.0555 -0.0512 57 PHE A CB 477 C CG . PHE A 56 ? 0.5670 0.5304 0.5753 0.0017 -0.0432 -0.0667 57 PHE A CG 478 C CD1 . PHE A 56 ? 0.5529 0.5298 0.5484 0.0130 -0.0288 -0.0685 57 PHE A CD1 479 C CD2 . PHE A 56 ? 0.6166 0.5419 0.6231 0.0024 -0.0434 -0.0804 57 PHE A CD2 480 C CE1 . PHE A 56 ? 0.6159 0.5739 0.6010 0.0247 -0.0118 -0.0832 57 PHE A CE1 481 C CE2 . PHE A 56 ? 0.5762 0.4794 0.5702 0.0164 -0.0267 -0.0971 57 PHE A CE2 482 C CZ . PHE A 56 ? 0.5594 0.4813 0.5443 0.0275 -0.0094 -0.0983 57 PHE A CZ 483 N N . VAL A 57 ? 0.3708 0.4202 0.4142 -0.0012 -0.0390 -0.0203 58 VAL A N 484 C CA . VAL A 57 ? 0.3829 0.4486 0.4194 0.0081 -0.0299 -0.0178 58 VAL A CA 485 C C . VAL A 57 ? 0.4520 0.5203 0.4656 0.0100 -0.0294 -0.0278 58 VAL A C 486 O O . VAL A 57 ? 0.5490 0.6303 0.5611 0.0050 -0.0365 -0.0252 58 VAL A O 487 C CB . VAL A 57 ? 0.4331 0.5202 0.4766 0.0047 -0.0283 -0.0030 58 VAL A CB 488 C CG1 . VAL A 57 ? 0.3039 0.4044 0.3390 0.0120 -0.0215 -0.0028 58 VAL A CG1 489 C CG2 . VAL A 57 ? 0.4721 0.5508 0.5264 0.0018 -0.0307 0.0097 58 VAL A CG2 490 N N . LYS A 58 ? 0.4718 0.5264 0.4683 0.0174 -0.0203 -0.0386 59 LYS A N 491 C CA . LYS A 58 ? 0.6406 0.6885 0.6035 0.0175 -0.0195 -0.0469 59 LYS A CA 492 C C . LYS A 58 ? 0.6297 0.6913 0.5865 0.0228 -0.0075 -0.0413 59 LYS A C 493 O O . LYS A 58 ? 0.6150 0.6832 0.5887 0.0285 0.0055 -0.0394 59 LYS A O 494 C CB . LYS A 58 ? 0.7482 0.7647 0.6841 0.0192 -0.0134 -0.0646 59 LYS A CB 495 C CG . LYS A 58 ? 0.8384 0.8395 0.7250 0.0174 -0.0123 -0.0725 59 LYS A CG 496 C CD . LYS A 58 ? 1.0664 1.0294 0.9155 0.0165 -0.0062 -0.0929 59 LYS A CD 497 C CE . LYS A 58 ? 1.1932 1.1391 1.0429 0.0071 -0.0290 -0.1002 59 LYS A CE 498 N NZ . LYS A 58 ? 1.2441 1.1454 1.0477 0.0048 -0.0250 -0.1233 59 LYS A NZ 499 N N . LEU A 59 ? 0.5679 0.6332 0.5051 0.0205 -0.0141 -0.0377 60 LEU A N 500 C CA . LEU A 59 ? 0.4804 0.5519 0.4072 0.0234 -0.0041 -0.0320 60 LEU A CA 501 C C . LEU A 59 ? 0.5503 0.5987 0.4304 0.0221 -0.0012 -0.0378 60 LEU A C 502 O O . LEU A 59 ? 0.7419 0.7787 0.5982 0.0184 -0.0190 -0.0388 60 LEU A O 503 C CB . LEU A 59 ? 0.5380 0.6274 0.4789 0.0229 -0.0130 -0.0210 60 LEU A CB 504 C CG . LEU A 59 ? 0.5323 0.6397 0.5063 0.0213 -0.0163 -0.0153 60 LEU A CG 505 C CD1 . LEU A 59 ? 0.5965 0.7173 0.5792 0.0219 -0.0204 -0.0087 60 LEU A CD1 506 C CD2 . LEU A 59 ? 0.3851 0.4976 0.3744 0.0229 -0.0065 -0.0126 60 LEU A CD2 507 N N . THR A 60 ? 0.5289 0.5701 0.3958 0.0239 0.0206 -0.0408 61 THR A N 508 C CA . THR A 60 ? 0.6416 0.6560 0.4540 0.0207 0.0285 -0.0448 61 THR A CA 509 C C . THR A 60 ? 0.5922 0.6102 0.3990 0.0194 0.0458 -0.0354 61 THR A C 510 O O . THR A 60 ? 0.5876 0.6281 0.4360 0.0214 0.0567 -0.0311 61 THR A O 511 C CB . THR A 60 ? 0.6862 0.6771 0.4744 0.0213 0.0464 -0.0622 61 THR A CB 512 O OG1 . THR A 60 ? 0.6228 0.6305 0.4548 0.0277 0.0701 -0.0657 61 THR A OG1 513 C CG2 . THR A 60 ? 0.6947 0.6722 0.4786 0.0196 0.0269 -0.0727 61 THR A CG2 514 N N . SER A 61 ? 0.6161 0.6091 0.3699 0.0145 0.0456 -0.0311 62 SER A N 515 C CA . SER A 61 ? 0.7085 0.6972 0.4501 0.0103 0.0643 -0.0214 62 SER A CA 516 C C . SER A 61 ? 0.9977 0.9520 0.6750 0.0038 0.0855 -0.0264 62 SER A C 517 O O . SER A 61 ? 1.1099 1.0342 0.7288 -0.0017 0.0742 -0.0182 62 SER A O 518 C CB . SER A 61 ? 0.6499 0.6372 0.3881 0.0098 0.0434 -0.0053 62 SER A CB 519 O OG . SER A 61 ? 0.6118 0.6289 0.4063 0.0140 0.0372 -0.0015 62 SER A OG 520 N N . GLY A 62 ? 1.0020 0.9590 0.6894 0.0048 0.1168 -0.0395 63 GLY A N 521 C CA . GLY A 62 ? 0.9615 0.8845 0.5859 -0.0013 0.1449 -0.0483 63 GLY A CA 522 C C . GLY A 62 ? 1.0749 0.9686 0.6528 -0.0003 0.1337 -0.0655 63 GLY A C 523 O O . GLY A 62 ? 1.0866 0.9873 0.6945 0.0067 0.1434 -0.0823 63 GLY A O 524 N N . THR A 63 ? 1.1733 1.0313 0.6784 -0.0075 0.1099 -0.0608 64 THR A N 525 C CA . THR A 63 ? 1.1668 0.9926 0.6214 -0.0099 0.0919 -0.0771 64 THR A CA 526 C C . THR A 63 ? 1.0409 0.8797 0.5202 -0.0084 0.0423 -0.0697 64 THR A C 527 O O . THR A 63 ? 1.1875 1.0182 0.6662 -0.0089 0.0237 -0.0835 64 THR A O 528 C CB . THR A 63 ? 1.1436 0.9315 0.5234 -0.0196 0.0924 -0.0758 64 THR A CB 529 O OG1 . THR A 63 ? 1.1181 0.8977 0.4726 -0.0245 0.0596 -0.0533 64 THR A OG1 530 C CG2 . THR A 63 ? 1.1492 0.9374 0.5277 -0.0214 0.1399 -0.0771 64 THR A CG2 531 N N . LYS A 64 ? 0.7731 0.6317 0.2783 -0.0070 0.0228 -0.0486 65 LYS A N 532 C CA . LYS A 64 ? 0.7947 0.6697 0.3311 -0.0046 -0.0199 -0.0404 65 LYS A CA 533 C C . LYS A 64 ? 0.7132 0.6261 0.3273 0.0017 -0.0223 -0.0473 65 LYS A C 534 O O . LYS A 64 ? 0.6900 0.6314 0.3558 0.0074 -0.0018 -0.0446 65 LYS A O 535 C CB . LYS A 64 ? 0.8129 0.6983 0.3632 -0.0020 -0.0336 -0.0179 65 LYS A CB 536 C CG . LYS A 64 ? 0.8481 0.6922 0.3211 -0.0090 -0.0318 -0.0059 65 LYS A CG 537 C CD . LYS A 64 ? 0.8473 0.6536 0.2516 -0.0166 -0.0596 -0.0099 65 LYS A CD 538 C CE . LYS A 64 ? 0.9293 0.7048 0.2797 -0.0234 -0.0539 0.0038 65 LYS A CE 539 N NZ . LYS A 64 ? 1.1377 0.8836 0.4368 -0.0307 -0.0778 -0.0007 65 LYS A NZ 540 N N . VAL A 65 ? 0.7762 0.6866 0.3960 -0.0011 -0.0490 -0.0553 66 VAL A N 541 C CA . VAL A 65 ? 0.7291 0.6706 0.4171 0.0021 -0.0536 -0.0589 66 VAL A CA 542 C C . VAL A 65 ? 0.6790 0.6539 0.4178 0.0052 -0.0747 -0.0430 66 VAL A C 543 O O . VAL A 65 ? 0.6103 0.5874 0.3548 0.0015 -0.1057 -0.0400 66 VAL A O 544 C CB . VAL A 65 ? 0.7736 0.6959 0.4494 -0.0049 -0.0705 -0.0751 66 VAL A CB 545 C CG1 . VAL A 65 ? 0.7596 0.7090 0.5031 -0.0029 -0.0697 -0.0767 66 VAL A CG1 546 C CG2 . VAL A 65 ? 0.9499 0.8307 0.5647 -0.0073 -0.0488 -0.0942 66 VAL A CG2 547 N N . LEU A 66 ? 0.6342 0.6348 0.4119 0.0117 -0.0575 -0.0339 67 LEU A N 548 C CA . LEU A 66 ? 0.6510 0.6788 0.4715 0.0159 -0.0702 -0.0211 67 LEU A CA 549 C C . LEU A 66 ? 0.5724 0.6243 0.4425 0.0140 -0.0831 -0.0232 67 LEU A C 550 O O . LEU A 66 ? 0.5509 0.6175 0.4466 0.0146 -0.1037 -0.0170 67 LEU A O 551 C CB . LEU A 66 ? 0.7029 0.7463 0.5459 0.0211 -0.0479 -0.0143 67 LEU A CB 552 C CG . LEU A 66 ? 0.7054 0.7294 0.5106 0.0209 -0.0336 -0.0090 67 LEU A CG 553 C CD1 . LEU A 66 ? 0.6945 0.7358 0.5308 0.0237 -0.0176 -0.0027 67 LEU A CD1 554 C CD2 . LEU A 66 ? 0.6976 0.7001 0.4666 0.0207 -0.0547 0.0005 67 LEU A CD2 555 N N . ALA A 67 ? 0.4858 0.5416 0.3731 0.0118 -0.0704 -0.0307 68 ALA A N 556 C CA . ALA A 67 ? 0.5134 0.5885 0.4451 0.0073 -0.0789 -0.0304 68 ALA A CA 557 C C . ALA A 67 ? 0.5749 0.6371 0.5084 0.0027 -0.0720 -0.0402 68 ALA A C 558 O O . ALA A 67 ? 0.6341 0.6816 0.5500 0.0069 -0.0545 -0.0461 68 ALA A O 559 C CB . ALA A 67 ? 0.2961 0.3999 0.2678 0.0114 -0.0679 -0.0204 68 ALA A CB 560 N N . THR A 68 ? 0.5573 0.6250 0.5177 -0.0058 -0.0855 -0.0415 69 THR A N 561 C CA . THR A 68 ? 0.5971 0.6510 0.5672 -0.0108 -0.0808 -0.0479 69 THR A CA 562 C C . THR A 68 ? 0.5896 0.6668 0.6075 -0.0187 -0.0836 -0.0379 69 THR A C 563 O O . THR A 68 ? 0.6769 0.7606 0.7156 -0.0293 -0.1008 -0.0386 69 THR A O 564 C CB . THR A 68 ? 0.6646 0.6848 0.6035 -0.0183 -0.0953 -0.0640 69 THR A CB 565 O OG1 . THR A 68 ? 0.6584 0.6540 0.5446 -0.0120 -0.0870 -0.0735 69 THR A OG1 566 C CG2 . THR A 68 ? 0.6607 0.6615 0.6128 -0.0223 -0.0897 -0.0710 69 THR A CG2 567 N N . LEU A 69 ? 0.5219 0.6112 0.5565 -0.0149 -0.0668 -0.0282 70 LEU A N 568 C CA . LEU A 69 ? 0.3935 0.5051 0.4637 -0.0222 -0.0628 -0.0165 70 LEU A CA 569 C C . LEU A 69 ? 0.2931 0.3899 0.3761 -0.0317 -0.0607 -0.0129 70 LEU A C 570 O O . LEU A 69 ? 0.4733 0.5491 0.5430 -0.0266 -0.0552 -0.0137 70 LEU A O 571 C CB . LEU A 69 ? 0.3476 0.4763 0.4174 -0.0145 -0.0471 -0.0074 70 LEU A CB 572 C CG . LEU A 69 ? 0.3033 0.4409 0.3604 -0.0048 -0.0482 -0.0095 70 LEU A CG 573 C CD1 . LEU A 69 ? 0.3415 0.4836 0.3885 0.0023 -0.0335 -0.0043 70 LEU A CD1 574 C CD2 . LEU A 69 ? 0.2796 0.4395 0.3647 -0.0068 -0.0568 -0.0075 70 LEU A CD2 575 N N . CYS A 70 ? 0.3735 0.4817 0.4872 -0.0457 -0.0650 -0.0080 71 CYS A N 576 C CA . CYS A 70 ? 0.4200 0.5114 0.5469 -0.0582 -0.0633 -0.0017 71 CYS A CA 577 C C . CYS A 70 ? 0.3553 0.4717 0.5166 -0.0722 -0.0536 0.0114 71 CYS A C 578 O O . CYS A 70 ? 0.3955 0.5441 0.5770 -0.0708 -0.0492 0.0125 71 CYS A O 579 C CB . CYS A 70 ? 0.3480 0.4120 0.4740 -0.0668 -0.0810 -0.0145 71 CYS A CB 580 S SG . CYS A 70 ? 2.2510 2.2803 2.3320 -0.0520 -0.0860 -0.0339 71 CYS A SG 581 N N . GLY A 71 ? 0.3462 0.4458 0.5152 -0.0855 -0.0485 0.0217 72 GLY A N 582 C CA . GLY A 71 ? 0.4118 0.5307 0.6138 -0.1034 -0.0361 0.0340 72 GLY A CA 583 C C . GLY A 71 ? 0.4476 0.5927 0.6476 -0.1002 -0.0123 0.0439 72 GLY A C 584 O O . GLY A 71 ? 0.4669 0.6055 0.6320 -0.0869 -0.0059 0.0458 72 GLY A O 585 N N . GLN A 72 ? 0.6018 0.7764 0.8418 -0.1132 0.0018 0.0489 73 GLN A N 586 C CA . GLN A 72 ? 0.6381 0.8356 0.8773 -0.1115 0.0300 0.0553 73 GLN A CA 587 C C . GLN A 72 ? 0.5912 0.8308 0.8733 -0.1024 0.0318 0.0452 73 GLN A C 588 O O . GLN A 72 ? 0.5289 0.7787 0.7959 -0.0876 0.0434 0.0415 73 GLN A O 589 C CB . GLN A 72 ? 0.6996 0.8955 0.9494 -0.1339 0.0544 0.0710 73 GLN A CB 590 C CG . GLN A 72 ? 0.8806 1.0993 1.1291 -0.1345 0.0896 0.0750 73 GLN A CG 591 C CD . GLN A 72 ? 1.0110 1.2081 1.1938 -0.1209 0.0961 0.0760 73 GLN A CD 592 O OE1 . GLN A 72 ? 1.0554 1.2169 1.1926 -0.1189 0.0812 0.0828 73 GLN A OE1 593 N NE2 . GLN A 72 ? 1.0576 1.2757 1.2394 -0.1113 0.1171 0.0687 73 GLN A NE2 594 N N . GLU A 73 ? 0.5291 0.7908 0.8669 -0.1115 0.0178 0.0411 74 GLU A N 595 C CA . GLU A 73 ? 0.5850 0.8865 0.9729 -0.1020 0.0114 0.0331 74 GLU A CA 596 C C . GLU A 73 ? 0.6133 0.9098 1.0089 -0.0987 -0.0291 0.0231 74 GLU A C 597 O O . GLU A 73 ? 0.6257 0.8967 1.0102 -0.1109 -0.0478 0.0211 74 GLU A O 598 C CB . GLU A 73 ? 0.6625 1.0051 1.1235 -0.1167 0.0324 0.0384 74 GLU A CB 599 C CG . GLU A 73 ? 0.7874 1.1390 1.2392 -0.1171 0.0776 0.0450 74 GLU A CG 600 C CD . GLU A 73 ? 0.9007 1.2991 1.4338 -0.1288 0.1040 0.0476 74 GLU A CD 601 O OE1 . GLU A 73 ? 0.8864 1.3086 1.4855 -0.1422 0.0854 0.0479 74 GLU A OE1 602 O OE2 . GLU A 73 ? 0.9755 1.3871 1.5080 -0.1251 0.1439 0.0482 74 GLU A OE2 603 N N . SER A 74 ? 0.4961 0.8119 0.9060 -0.0824 -0.0428 0.0168 75 SER A N 604 C CA . SER A 74 ? 0.4277 0.7330 0.8298 -0.0787 -0.0824 0.0084 75 SER A CA 605 C C . SER A 74 ? 0.4240 0.7491 0.8869 -0.0969 -0.1073 0.0071 75 SER A C 606 O O . SER A 74 ? 0.4012 0.7664 0.9357 -0.1059 -0.0948 0.0127 75 SER A O 607 C CB . SER A 74 ? 0.4087 0.7257 0.8075 -0.0571 -0.0914 0.0058 75 SER A CB 608 O OG . SER A 74 ? 0.4728 0.7698 0.8169 -0.0427 -0.0712 0.0061 75 SER A OG 609 N N . THR A 75 ? 0.4608 0.7569 0.8951 -0.1034 -0.1416 -0.0014 76 THR A N 610 C CA . THR A 75 ? 0.4964 0.8054 0.9809 -0.1218 -0.1746 -0.0050 76 THR A CA 611 C C . THR A 75 ? 0.4450 0.7515 0.9166 -0.1121 -0.2162 -0.0115 76 THR A C 612 O O . THR A 75 ? 0.4569 0.7656 0.9044 -0.0909 -0.2137 -0.0096 76 THR A O 613 C CB . THR A 75 ? 0.5235 0.7919 0.9815 -0.1425 -0.1844 -0.0111 76 THR A CB 614 O OG1 . THR A 75 ? 0.5667 0.7852 0.9427 -0.1333 -0.2001 -0.0232 76 THR A OG1 615 C CG2 . THR A 75 ? 0.3546 0.6146 0.8112 -0.1509 -0.1459 -0.0014 76 THR A CG2 616 N N . ASP A 76 ? 0.4786 0.7699 0.9479 -0.1260 -0.2486 -0.0187 77 ASP A N 617 C CA . ASP A 76 ? 0.4866 0.7604 0.9170 -0.1173 -0.2843 -0.0240 77 ASP A CA 618 C C . ASP A 76 ? 0.5863 0.8034 0.9232 -0.1161 -0.2986 -0.0362 77 ASP A C 619 O O . ASP A 76 ? 0.4807 0.6754 0.7649 -0.1067 -0.3203 -0.0392 77 ASP A O 620 C CB . ASP A 76 ? 0.5081 0.7899 0.9734 -0.1322 -0.3120 -0.0262 77 ASP A CB 621 C CG . ASP A 76 ? 0.5091 0.8451 1.0571 -0.1255 -0.3070 -0.0153 77 ASP A CG 622 O OD1 . ASP A 76 ? 0.4406 0.8008 1.0062 -0.1059 -0.2865 -0.0078 77 ASP A OD1 623 O OD2 . ASP A 76 ? 0.5594 0.9123 1.1555 -0.1395 -0.3235 -0.0153 77 ASP A OD2 624 N N . THR A 77 ? 0.6264 0.8164 0.9380 -0.1246 -0.2813 -0.0424 78 THR A N 625 C CA . THR A 77 ? 0.6308 0.7626 0.8499 -0.1202 -0.2810 -0.0562 78 THR A CA 626 C C . THR A 77 ? 0.6016 0.7222 0.7876 -0.1042 -0.2374 -0.0527 78 THR A C 627 O O . THR A 77 ? 0.6411 0.7214 0.7591 -0.0960 -0.2298 -0.0626 78 THR A O 628 C CB . THR A 77 ? 0.6539 0.7461 0.8567 -0.1419 -0.2984 -0.0712 78 THR A CB 629 O OG1 . THR A 77 ? 0.6031 0.7159 0.8713 -0.1572 -0.2827 -0.0636 78 THR A OG1 630 C CG2 . THR A 77 ? 0.5825 0.6664 0.7765 -0.1521 -0.3377 -0.0782 78 THR A CG2 631 N N . GLU A 78 ? 0.5356 0.6916 0.7702 -0.1007 -0.2088 -0.0390 79 GLU A N 632 C CA . GLU A 78 ? 0.4879 0.6359 0.6948 -0.0871 -0.1726 -0.0338 79 GLU A CA 633 C C . GLU A 78 ? 0.3686 0.5551 0.6026 -0.0735 -0.1531 -0.0216 79 GLU A C 634 O O . GLU A 78 ? 0.4237 0.6489 0.7169 -0.0768 -0.1571 -0.0151 79 GLU A O 635 C CB . GLU A 78 ? 0.4972 0.6327 0.7174 -0.0990 -0.1540 -0.0301 79 GLU A CB 636 C CG . GLU A 78 ? 0.5253 0.6148 0.7176 -0.1105 -0.1690 -0.0437 79 GLU A CG 637 C CD . GLU A 78 ? 0.6381 0.7327 0.8711 -0.1335 -0.1971 -0.0480 79 GLU A CD 638 O OE1 . GLU A 78 ? 0.7188 0.8553 1.0171 -0.1440 -0.1945 -0.0361 79 GLU A OE1 639 O OE2 . GLU A 78 ? 0.6716 0.7281 0.8724 -0.1419 -0.2211 -0.0644 79 GLU A OE2 640 N N . ARG A 79 ? 0.3221 0.4977 0.5167 -0.0583 -0.1316 -0.0196 80 ARG A N 641 C CA . ARG A 79 ? 0.4016 0.6045 0.6116 -0.0453 -0.1131 -0.0110 80 ARG A CA 642 C C . ARG A 79 ? 0.4366 0.6361 0.6342 -0.0427 -0.0819 -0.0046 80 ARG A C 643 O O . ARG A 79 ? 0.4701 0.6414 0.6295 -0.0411 -0.0763 -0.0069 80 ARG A O 644 C CB . ARG A 79 ? 0.4038 0.5964 0.5759 -0.0298 -0.1225 -0.0136 80 ARG A CB 645 C CG . ARG A 79 ? 0.4256 0.6393 0.6112 -0.0159 -0.1050 -0.0065 80 ARG A CG 646 C CD . ARG A 79 ? 0.3510 0.5468 0.4939 -0.0028 -0.1126 -0.0072 80 ARG A CD 647 N NE . ARG A 79 ? 0.3345 0.5453 0.4915 0.0099 -0.0973 -0.0016 80 ARG A NE 648 C CZ . ARG A 79 ? 0.4312 0.6276 0.5586 0.0211 -0.1002 0.0004 80 ARG A CZ 649 N NH1 . ARG A 79 ? 0.5668 0.7349 0.6457 0.0206 -0.1155 -0.0015 80 ARG A NH1 650 N NH2 . ARG A 79 ? 0.4395 0.6459 0.5823 0.0318 -0.0860 0.0039 80 ARG A NH2 651 N N . ALA A 80 ? 0.3710 0.5986 0.6016 -0.0422 -0.0622 0.0030 81 ALA A N 652 C CA . ALA A 80 ? 0.3438 0.5663 0.5536 -0.0398 -0.0351 0.0094 81 ALA A CA 653 C C . ALA A 80 ? 0.3836 0.6174 0.5860 -0.0243 -0.0246 0.0087 81 ALA A C 654 O O . ALA A 80 ? 0.4900 0.7465 0.7263 -0.0180 -0.0294 0.0070 81 ALA A O 655 C CB . ALA A 80 ? 0.3462 0.5824 0.5866 -0.0548 -0.0160 0.0179 81 ALA A CB 656 N N . PRO A 81 ? 0.3630 0.5795 0.5246 -0.0181 -0.0126 0.0099 82 PRO A N 657 C CA . PRO A 81 ? 0.2954 0.5137 0.4427 -0.0047 -0.0055 0.0076 82 PRO A CA 658 C C . PRO A 81 ? 0.3370 0.5780 0.5144 -0.0018 0.0138 0.0077 82 PRO A C 659 O O . PRO A 81 ? 0.3418 0.5943 0.5400 0.0097 0.0097 0.0043 82 PRO A O 660 C CB . PRO A 81 ? 0.2795 0.4761 0.3841 -0.0045 0.0026 0.0098 82 PRO A CB 661 C CG . PRO A 81 ? 0.3563 0.5373 0.4525 -0.0124 -0.0064 0.0121 82 PRO A CG 662 C CD . PRO A 81 ? 0.4090 0.6018 0.5393 -0.0237 -0.0084 0.0141 82 PRO A CD 663 N N . GLY A 82 ? 0.2735 0.5178 0.4516 -0.0117 0.0357 0.0118 83 GLY A N 664 C CA . GLY A 82 ? 0.2309 0.4902 0.4250 -0.0087 0.0623 0.0093 83 GLY A CA 665 C C . GLY A 82 ? 0.2609 0.5015 0.4148 0.0026 0.0675 0.0038 83 GLY A C 666 O O . GLY A 82 ? 0.3386 0.5555 0.4480 0.0011 0.0587 0.0058 83 GLY A O 667 N N . ASN A 83 ? 0.3298 0.5807 0.5042 0.0141 0.0810 -0.0034 84 ASN A N 668 C CA . ASN A 83 ? 0.5276 0.7568 0.6659 0.0239 0.0848 -0.0099 84 ASN A CA 669 C C . ASN A 83 ? 0.5335 0.7605 0.6848 0.0381 0.0626 -0.0113 84 ASN A C 670 O O . ASN A 83 ? 0.6190 0.8337 0.7625 0.0490 0.0673 -0.0173 84 ASN A O 671 C CB . ASN A 83 ? 0.6494 0.8801 0.7906 0.0276 0.1174 -0.0189 84 ASN A CB 672 C CG . ASN A 83 ? 0.8801 1.1018 0.9862 0.0112 0.1409 -0.0164 84 ASN A CG 673 O OD1 . ASN A 83 ? 0.9994 1.1928 1.0480 0.0065 0.1482 -0.0196 84 ASN A OD1 674 N ND2 . ASN A 83 ? 1.0930 1.3361 1.2313 0.0005 0.1508 -0.0096 84 ASN A ND2 675 N N . ASP A 84 ? 0.3962 0.6299 0.5617 0.0366 0.0382 -0.0058 85 ASP A N 676 C CA . ASP A 84 ? 0.3857 0.6109 0.5501 0.0470 0.0151 -0.0044 85 ASP A CA 677 C C . ASP A 84 ? 0.4674 0.6637 0.5803 0.0469 0.0121 -0.0045 85 ASP A C 678 O O . ASP A 84 ? 0.4737 0.6602 0.5570 0.0379 0.0192 -0.0044 85 ASP A O 679 C CB . ASP A 84 ? 0.2837 0.5169 0.4629 0.0422 -0.0102 0.0000 85 ASP A CB 680 C CG . ASP A 84 ? 0.4093 0.6740 0.6517 0.0436 -0.0155 0.0009 85 ASP A CG 681 O OD1 . ASP A 84 ? 0.5512 0.8356 0.8293 0.0463 0.0077 -0.0020 85 ASP A OD1 682 O OD2 . ASP A 84 ? 0.4006 0.6703 0.6577 0.0410 -0.0425 0.0037 85 ASP A OD2 683 N N . THR A 85 ? 0.5341 0.7167 0.6396 0.0564 0.0004 -0.0031 86 THR A N 684 C CA . THR A 85 ? 0.5478 0.7050 0.6117 0.0546 -0.0010 -0.0022 86 THR A CA 685 C C . THR A 85 ? 0.5217 0.6680 0.5664 0.0531 -0.0195 0.0034 86 THR A C 686 O O . THR A 85 ? 0.6160 0.7617 0.6707 0.0592 -0.0360 0.0076 86 THR A O 687 C CB . THR A 85 ? 0.5004 0.6409 0.5611 0.0639 0.0054 -0.0049 86 THR A CB 688 O OG1 . THR A 85 ? 0.5661 0.7106 0.6340 0.0643 0.0262 -0.0135 86 THR A OG1 689 C CG2 . THR A 85 ? 0.4124 0.5281 0.4356 0.0586 0.0038 -0.0030 86 THR A CG2 690 N N . PHE A 86 ? 0.4172 0.5540 0.4341 0.0449 -0.0168 0.0033 87 PHE A N 691 C CA . PHE A 86 ? 0.3311 0.4544 0.3231 0.0423 -0.0268 0.0059 87 PHE A CA 692 C C . PHE A 86 ? 0.3482 0.4513 0.3132 0.0413 -0.0203 0.0087 87 PHE A C 693 O O . PHE A 86 ? 0.4444 0.5475 0.4086 0.0373 -0.0089 0.0067 87 PHE A O 694 C CB . PHE A 86 ? 0.3221 0.4501 0.3101 0.0348 -0.0252 0.0023 87 PHE A CB 695 C CG . PHE A 86 ? 0.4375 0.5826 0.4527 0.0321 -0.0300 0.0006 87 PHE A CG 696 C CD1 . PHE A 86 ? 0.4376 0.5959 0.4709 0.0290 -0.0184 0.0005 87 PHE A CD1 697 C CD2 . PHE A 86 ? 0.4453 0.5910 0.4649 0.0304 -0.0465 -0.0004 87 PHE A CD2 698 C CE1 . PHE A 86 ? 0.4120 0.5852 0.4712 0.0240 -0.0193 0.0007 87 PHE A CE1 699 C CE2 . PHE A 86 ? 0.4532 0.6158 0.5042 0.0251 -0.0509 -0.0014 87 PHE A CE2 700 C CZ . PHE A 86 ? 0.3254 0.5027 0.3982 0.0217 -0.0354 -0.0002 87 PHE A CZ 701 N N . TYR A 87 ? 0.4609 0.5454 0.4030 0.0431 -0.0293 0.0144 88 TYR A N 702 C CA . TYR A 87 ? 0.4154 0.4782 0.3312 0.0398 -0.0214 0.0193 88 TYR A CA 703 C C . TYR A 87 ? 0.5064 0.5559 0.3882 0.0329 -0.0169 0.0200 88 TYR A C 704 O O . TYR A 87 ? 0.6346 0.6781 0.4984 0.0331 -0.0284 0.0193 88 TYR A O 705 C CB . TYR A 87 ? 0.4201 0.4632 0.3301 0.0469 -0.0316 0.0280 88 TYR A CB 706 C CG . TYR A 87 ? 0.4703 0.5207 0.4127 0.0551 -0.0295 0.0247 88 TYR A CG 707 C CD1 . TYR A 87 ? 0.4421 0.4849 0.3850 0.0514 -0.0157 0.0209 88 TYR A CD1 708 C CD2 . TYR A 87 ? 0.5412 0.6058 0.5153 0.0659 -0.0403 0.0238 88 TYR A CD2 709 C CE1 . TYR A 87 ? 0.4114 0.4545 0.3754 0.0585 -0.0110 0.0146 88 TYR A CE1 710 C CE2 . TYR A 87 ? 0.5443 0.6144 0.5483 0.0745 -0.0321 0.0182 88 TYR A CE2 711 C CZ . TYR A 87 ? 0.4645 0.5209 0.4583 0.0709 -0.0166 0.0127 88 TYR A CZ 712 O OH . TYR A 87 ? 0.6259 0.6817 0.6411 0.0791 -0.0059 0.0040 88 TYR A OH 713 N N . SER A 88 ? 0.4671 0.5116 0.3411 0.0260 0.0005 0.0202 89 SER A N 714 C CA . SER A 88 ? 0.4985 0.5303 0.3423 0.0196 0.0129 0.0195 89 SER A CA 715 C C . SER A 88 ? 0.5518 0.5509 0.3491 0.0173 0.0086 0.0299 89 SER A C 716 O O . SER A 88 ? 0.5180 0.5037 0.3136 0.0195 0.0005 0.0397 89 SER A O 717 C CB . SER A 88 ? 0.5308 0.5730 0.3932 0.0127 0.0345 0.0172 89 SER A CB 718 O OG . SER A 88 ? 0.5748 0.6081 0.4407 0.0080 0.0382 0.0248 89 SER A OG 719 N N . LEU A 89 ? 0.6360 0.6174 0.3910 0.0128 0.0138 0.0278 90 LEU A N 720 C CA . LEU A 89 ? 0.6487 0.5924 0.3455 0.0075 0.0123 0.0393 90 LEU A CA 721 C C . LEU A 89 ? 0.6912 0.6258 0.3733 -0.0035 0.0456 0.0413 90 LEU A C 722 O O . LEU A 89 ? 0.8307 0.7611 0.4906 -0.0086 0.0669 0.0327 90 LEU A O 723 C CB . LEU A 89 ? 0.6300 0.5529 0.2773 0.0066 -0.0028 0.0355 90 LEU A CB 724 C CG . LEU A 89 ? 0.6738 0.6099 0.3446 0.0151 -0.0373 0.0336 90 LEU A CG 725 C CD1 . LEU A 89 ? 0.9000 0.8121 0.5188 0.0109 -0.0555 0.0288 90 LEU A CD1 726 C CD2 . LEU A 89 ? 0.5373 0.4708 0.2268 0.0229 -0.0595 0.0484 90 LEU A CD2 727 N N . GLY A 90 ? 0.6305 0.5620 0.3291 -0.0074 0.0515 0.0516 91 GLY A N 728 C CA . GLY A 90 ? 0.6314 0.5637 0.3363 -0.0197 0.0831 0.0536 91 GLY A CA 729 C C . GLY A 90 ? 0.6972 0.6685 0.4712 -0.0187 0.0886 0.0450 91 GLY A C 730 O O . GLY A 90 ? 0.6441 0.6349 0.4491 -0.0092 0.0694 0.0389 91 GLY A O 731 N N . PRO A 91 ? 0.7500 0.7325 0.5484 -0.0298 0.1143 0.0451 92 PRO A N 732 C CA . PRO A 91 ? 0.7260 0.7431 0.5892 -0.0313 0.1145 0.0390 92 PRO A CA 733 C C . PRO A 91 ? 0.7145 0.7640 0.6133 -0.0230 0.1155 0.0256 92 PRO A C 734 O O . PRO A 91 ? 0.6964 0.7731 0.6456 -0.0234 0.1102 0.0219 92 PRO A O 735 C CB . PRO A 91 ? 0.7032 0.7208 0.5827 -0.0478 0.1411 0.0454 92 PRO A CB 736 C CG . PRO A 91 ? 0.7797 0.7556 0.5950 -0.0553 0.1534 0.0579 92 PRO A CG 737 C CD . PRO A 91 ? 0.6890 0.6500 0.4553 -0.0437 0.1433 0.0533 92 PRO A CD 738 N N . SER A 92 ? 0.7516 0.7939 0.6219 -0.0162 0.1197 0.0187 93 SER A N 739 C CA . SER A 92 ? 0.7223 0.7884 0.6251 -0.0084 0.1239 0.0062 93 SER A CA 740 C C . SER A 92 ? 0.6829 0.7478 0.5759 0.0021 0.0992 0.0007 93 SER A C 741 O O . SER A 92 ? 0.7433 0.7869 0.5952 0.0038 0.0844 0.0039 93 SER A O 742 C CB . SER A 92 ? 0.7493 0.8074 0.6343 -0.0102 0.1556 -0.0015 93 SER A CB 743 O OG . SER A 92 ? 0.7825 0.8587 0.7009 -0.0004 0.1597 -0.0146 93 SER A OG 744 N N . LEU A 93 ? 0.4711 0.5589 0.4055 0.0083 0.0937 -0.0061 94 LEU A N 745 C CA . LEU A 93 ? 0.4834 0.5713 0.4148 0.0157 0.0737 -0.0106 94 LEU A CA 746 C C . LEU A 93 ? 0.5174 0.6209 0.4864 0.0217 0.0767 -0.0184 94 LEU A C 747 O O . LEU A 93 ? 0.5924 0.7171 0.6055 0.0218 0.0762 -0.0155 94 LEU A O 748 C CB . LEU A 93 ? 0.4320 0.5267 0.3726 0.0160 0.0520 -0.0038 94 LEU A CB 749 C CG . LEU A 93 ? 0.4734 0.5731 0.4201 0.0211 0.0350 -0.0067 94 LEU A CG 750 C CD1 . LEU A 93 ? 0.6400 0.7222 0.5526 0.0227 0.0267 -0.0095 94 LEU A CD1 751 C CD2 . LEU A 93 ? 0.4476 0.5571 0.4087 0.0208 0.0225 -0.0016 94 LEU A CD2 752 N N . LYS A 94 ? 0.5060 0.5960 0.4573 0.0263 0.0769 -0.0279 95 LYS A N 753 C CA . LYS A 94 ? 0.4774 0.5749 0.4629 0.0334 0.0782 -0.0351 95 LYS A CA 754 C C . LYS A 94 ? 0.4753 0.5711 0.4631 0.0347 0.0544 -0.0334 95 LYS A C 755 O O . LYS A 94 ? 0.5874 0.6682 0.5427 0.0321 0.0436 -0.0358 95 LYS A O 756 C CB . LYS A 94 ? 0.4657 0.5444 0.4333 0.0373 0.1005 -0.0500 95 LYS A CB 757 C CG . LYS A 94 ? 0.5867 0.6665 0.5903 0.0469 0.1013 -0.0588 95 LYS A CG 758 C CD . LYS A 94 ? 0.6562 0.7174 0.6484 0.0525 0.1307 -0.0766 95 LYS A CD 759 C CE . LYS A 94 ? 0.7438 0.8006 0.7745 0.0642 0.1297 -0.0860 95 LYS A CE 760 N NZ . LYS A 94 ? 0.9159 0.9555 0.9448 0.0724 0.1638 -0.1061 95 LYS A NZ 761 N N . VAL A 95 ? 0.4568 0.5679 0.4842 0.0375 0.0454 -0.0280 96 VAL A N 762 C CA . VAL A 95 ? 0.4324 0.5413 0.4642 0.0368 0.0267 -0.0239 96 VAL A CA 763 C C . VAL A 95 ? 0.4550 0.5560 0.5115 0.0435 0.0270 -0.0286 96 VAL A C 764 O O . VAL A 95 ? 0.4908 0.6022 0.5837 0.0496 0.0312 -0.0265 96 VAL A O 765 C CB . VAL A 95 ? 0.3671 0.4916 0.4126 0.0326 0.0139 -0.0112 96 VAL A CB 766 C CG1 . VAL A 95 ? 0.2506 0.3706 0.2956 0.0296 0.0001 -0.0058 96 VAL A CG1 767 C CG2 . VAL A 95 ? 0.4214 0.5497 0.4463 0.0277 0.0148 -0.0082 96 VAL A CG2 768 N N . THR A 96 ? 0.4514 0.5334 0.4931 0.0423 0.0207 -0.0346 97 THR A N 769 C CA . THR A 96 ? 0.4606 0.5274 0.5239 0.0490 0.0211 -0.0402 97 THR A CA 770 C C . THR A 96 ? 0.5016 0.5585 0.5677 0.0429 0.0028 -0.0324 97 THR A C 771 O O . THR A 96 ? 0.5146 0.5651 0.5581 0.0340 -0.0048 -0.0342 97 THR A O 772 C CB . THR A 96 ? 0.4686 0.5103 0.5091 0.0529 0.0366 -0.0602 97 THR A CB 773 O OG1 . THR A 96 ? 0.5312 0.5807 0.5682 0.0571 0.0593 -0.0664 97 THR A OG1 774 C CG2 . THR A 96 ? 0.3617 0.3830 0.4277 0.0617 0.0384 -0.0682 97 THR A CG2 775 N N . PHE A 97 ? 0.4952 0.5509 0.5916 0.0471 -0.0051 -0.0223 98 PHE A N 776 C CA . PHE A 97 ? 0.4618 0.5024 0.5600 0.0402 -0.0197 -0.0127 98 PHE A CA 777 C C . PHE A 97 ? 0.5225 0.5333 0.6367 0.0475 -0.0192 -0.0213 98 PHE A C 778 O O . PHE A 97 ? 0.5447 0.5529 0.6869 0.0615 -0.0123 -0.0257 98 PHE A O 779 C CB . PHE A 97 ? 0.4890 0.5405 0.5983 0.0371 -0.0321 0.0082 98 PHE A CB 780 C CG . PHE A 97 ? 0.3521 0.3819 0.4637 0.0307 -0.0448 0.0212 98 PHE A CG 781 C CD1 . PHE A 97 ? 0.3283 0.3539 0.4204 0.0158 -0.0464 0.0256 98 PHE A CD1 782 C CD2 . PHE A 97 ? 0.3378 0.3513 0.4751 0.0392 -0.0550 0.0305 98 PHE A CD2 783 C CE1 . PHE A 97 ? 0.3533 0.3570 0.4464 0.0069 -0.0550 0.0394 98 PHE A CE1 784 C CE2 . PHE A 97 ? 0.3653 0.3526 0.5000 0.0320 -0.0673 0.0454 98 PHE A CE2 785 C CZ . PHE A 97 ? 0.3697 0.3513 0.4797 0.0145 -0.0659 0.0501 98 PHE A CZ 786 N N . HIS A 98 ? 0.5782 0.5663 0.6794 0.0379 -0.0263 -0.0242 99 HIS A N 787 C CA . HIS A 98 ? 0.5267 0.4787 0.6399 0.0430 -0.0272 -0.0336 99 HIS A CA 788 C C . HIS A 98 ? 0.5527 0.4840 0.6662 0.0289 -0.0423 -0.0215 99 HIS A C 789 O O . HIS A 98 ? 0.4154 0.3580 0.5136 0.0128 -0.0475 -0.0159 99 HIS A O 790 C CB . HIS A 98 ? 0.4821 0.4148 0.5706 0.0449 -0.0153 -0.0605 99 HIS A CB 791 C CG . HIS A 98 ? 0.5783 0.4666 0.6702 0.0468 -0.0168 -0.0742 99 HIS A CG 792 N ND1 . HIS A 98 ? 0.4980 0.3660 0.6189 0.0649 -0.0069 -0.0818 99 HIS A ND1 793 C CD2 . HIS A 98 ? 0.5030 0.3619 0.5770 0.0328 -0.0278 -0.0824 99 HIS A CD2 794 C CE1 . HIS A 98 ? 0.5781 0.4016 0.6940 0.0628 -0.0104 -0.0952 99 HIS A CE1 795 N NE2 . HIS A 98 ? 0.5489 0.3656 0.6350 0.0419 -0.0241 -0.0957 99 HIS A NE2 796 N N . SER A 99 ? 0.6017 0.5026 0.7373 0.0351 -0.0482 -0.0168 100 SER A N 797 C CA . SER A 99 ? 0.6076 0.4803 0.7439 0.0206 -0.0610 -0.0047 100 SER A CA 798 C C . SER A 99 ? 0.6472 0.4723 0.7946 0.0270 -0.0615 -0.0203 100 SER A C 799 O O . SER A 99 ? 0.6967 0.5101 0.8639 0.0477 -0.0537 -0.0313 100 SER A O 800 C CB . SER A 99 ? 0.5973 0.4723 0.7435 0.0183 -0.0724 0.0257 100 SER A CB 801 O OG . SER A 99 ? 0.5723 0.4371 0.7470 0.0384 -0.0772 0.0307 100 SER A OG 802 N N . ASP A 100 ? 0.6613 0.4587 0.7998 0.0091 -0.0695 -0.0225 101 ASP A N 803 C CA . ASP A 100 ? 0.6017 0.3465 0.7464 0.0125 -0.0713 -0.0396 101 ASP A CA 804 C C . ASP A 100 ? 0.6684 0.3789 0.8403 0.0169 -0.0821 -0.0180 101 ASP A C 805 O O . ASP A 100 ? 0.6155 0.3430 0.8026 0.0260 -0.0868 0.0054 101 ASP A O 806 C CB . ASP A 100 ? 0.6454 0.3722 0.7696 -0.0111 -0.0787 -0.0535 101 ASP A CB 807 C CG . ASP A 100 ? 0.7279 0.4596 0.8604 -0.0363 -0.0905 -0.0283 101 ASP A CG 808 O OD1 . ASP A 100 ? 0.6321 0.3880 0.7720 -0.0370 -0.0900 -0.0013 101 ASP A OD1 809 O OD2 . ASP A 100 ? 0.8413 0.5514 0.9718 -0.0569 -0.0995 -0.0362 101 ASP A OD2 810 N N . TYR A 101 ? 0.7892 0.4477 0.9646 0.0093 -0.0889 -0.0251 102 TYR A N 811 C CA . TYR A 101 ? 0.8095 0.4238 1.0107 0.0161 -0.1000 -0.0065 102 TYR A CA 812 C C . TYR A 101 ? 0.8414 0.4524 1.0381 -0.0069 -0.1136 0.0302 102 TYR A C 813 O O . TYR A 101 ? 0.9239 0.5100 1.1350 -0.0001 -0.1252 0.0560 102 TYR A O 814 C CB . TYR A 101 ? 0.8471 0.3984 1.0532 0.0181 -0.1003 -0.0312 102 TYR A CB 815 C CG . TYR A 101 ? 0.8597 0.3884 1.0453 -0.0139 -0.1084 -0.0376 102 TYR A CG 816 C CD1 . TYR A 101 ? 0.8532 0.4036 1.0114 -0.0271 -0.1044 -0.0622 102 TYR A CD1 817 C CD2 . TYR A 101 ? 0.9333 0.4179 1.1296 -0.0319 -0.1221 -0.0176 102 TYR A CD2 818 C CE1 . TYR A 101 ? 0.9573 0.4910 1.1057 -0.0572 -0.1162 -0.0677 102 TYR A CE1 819 C CE2 . TYR A 101 ? 0.9972 0.4644 1.1837 -0.0636 -0.1298 -0.0233 102 TYR A CE2 820 C CZ . TYR A 101 ? 1.0127 0.5069 1.1786 -0.0759 -0.1279 -0.0489 102 TYR A CZ 821 O OH . TYR A 101 ? 1.0836 0.5643 1.2482 -0.1082 -0.1398 -0.0543 102 TYR A OH 822 N N . SER A 102 ? 0.8191 0.4540 0.9964 -0.0340 -0.1119 0.0337 103 SER A N 823 C CA . SER A 102 ? 0.7984 0.4267 0.9705 -0.0590 -0.1181 0.0661 103 SER A CA 824 C C . SER A 102 ? 0.8208 0.5049 0.9770 -0.0766 -0.1089 0.0762 103 SER A C 825 O O . SER A 102 ? 0.8035 0.5251 0.9557 -0.0770 -0.1018 0.0553 103 SER A O 826 C CB . SER A 102 ? 0.7947 0.3742 0.9737 -0.0815 -0.1245 0.0622 103 SER A CB 827 O OG . SER A 102 ? 0.7863 0.3841 0.9619 -0.0961 -0.1215 0.0355 103 SER A OG 828 N N . ASN A 103 ? 0.8091 0.4941 0.9539 -0.0908 -0.1087 0.1089 104 ASN A N 829 C CA . ASN A 103 ? 0.7559 0.4861 0.8874 -0.1100 -0.0956 0.1196 104 ASN A CA 830 C C . ASN A 103 ? 0.8080 0.5152 0.9340 -0.1397 -0.0916 0.1475 104 ASN A C 831 O O . ASN A 103 ? 0.8946 0.5763 0.9987 -0.1419 -0.0951 0.1767 104 ASN A O 832 C CB . ASN A 103 ? 0.7541 0.5186 0.8646 -0.0953 -0.0917 0.1295 104 ASN A CB 833 C CG . ASN A 103 ? 0.9031 0.7044 1.0196 -0.0740 -0.0886 0.1024 104 ASN A CG 834 O OD1 . ASN A 103 ? 0.9586 0.7981 1.0748 -0.0799 -0.0786 0.0887 104 ASN A OD1 835 N ND2 . ASN A 103 ? 0.9899 0.7796 1.1149 -0.0492 -0.0965 0.0958 104 ASN A ND2 836 N N . GLU A 104 ? 0.8030 0.5186 0.9488 -0.1639 -0.0850 0.1395 105 GLU A N 837 C CA . GLU A 104 ? 0.8648 0.5601 1.0136 -0.1960 -0.0772 0.1644 105 GLU A CA 838 C C . GLU A 104 ? 0.8379 0.5564 0.9572 -0.2065 -0.0583 0.1917 105 GLU A C 839 O O . GLU A 104 ? 0.9105 0.5913 1.0052 -0.2206 -0.0561 0.2224 105 GLU A O 840 C CB . GLU A 104 ? 0.9017 0.6170 1.0880 -0.2202 -0.0735 0.1479 105 GLU A CB 841 C CG . GLU A 104 ? 0.9919 0.6725 1.1976 -0.2167 -0.0934 0.1208 105 GLU A CG 842 C CD . GLU A 104 ? 1.1561 0.7639 1.3628 -0.2266 -0.1041 0.1345 105 GLU A CD 843 O OE1 . GLU A 104 ? 1.2572 0.8442 1.4542 -0.2443 -0.0961 0.1679 105 GLU A OE1 844 O OE2 . GLU A 104 ? 1.1654 0.7325 1.3790 -0.2172 -0.1197 0.1116 105 GLU A OE2 845 N N . LYS A 105 ? 0.7738 0.5494 0.8909 -0.2000 -0.0445 0.1804 106 LYS A N 846 C CA . LYS A 105 ? 0.7684 0.5653 0.8519 -0.2074 -0.0240 0.2002 106 LYS A CA 847 C C . LYS A 105 ? 0.7181 0.5198 0.7664 -0.1802 -0.0336 0.1999 106 LYS A C 848 O O . LYS A 105 ? 0.6948 0.5069 0.7572 -0.1560 -0.0478 0.1784 106 LYS A O 849 C CB . LYS A 105 ? 0.7753 0.6308 0.8848 -0.2196 0.0002 0.1882 106 LYS A CB 850 C CG . LYS A 105 ? 0.8006 0.6594 0.9533 -0.2505 0.0113 0.1917 106 LYS A CG 851 C CD . LYS A 105 ? 0.9461 0.7613 1.0732 -0.2765 0.0240 0.2254 106 LYS A CD 852 C CE . LYS A 105 ? 0.9757 0.7957 1.1527 -0.3105 0.0370 0.2299 106 LYS A CE 853 N NZ . LYS A 105 ? 0.9640 0.8513 1.1808 -0.3213 0.0653 0.2205 106 LYS A NZ 854 N N . PRO A 106 ? 0.8073 0.5990 0.8073 -0.1860 -0.0258 0.2240 107 PRO A N 855 C CA . PRO A 106 ? 0.8108 0.6077 0.7782 -0.1636 -0.0382 0.2245 107 PRO A CA 856 C C . PRO A 106 ? 0.8599 0.7125 0.8343 -0.1516 -0.0256 0.2002 107 PRO A C 857 O O . PRO A 106 ? 0.9333 0.8027 0.8739 -0.1583 -0.0081 0.2057 107 PRO A O 858 C CB . PRO A 106 ? 0.8522 0.6183 0.7582 -0.1801 -0.0330 0.2572 107 PRO A CB 859 C CG . PRO A 106 ? 0.7972 0.5668 0.7047 -0.2108 -0.0020 0.2663 107 PRO A CG 860 C CD . PRO A 106 ? 0.8014 0.5700 0.7703 -0.2154 -0.0068 0.2531 107 PRO A CD 861 N N . PHE A 107 ? 0.7850 0.6606 0.7982 -0.1344 -0.0336 0.1737 108 PHE A N 862 C CA . PHE A 107 ? 0.6698 0.5921 0.6897 -0.1215 -0.0253 0.1522 108 PHE A CA 863 C C . PHE A 107 ? 0.6453 0.5681 0.6335 -0.1050 -0.0352 0.1557 108 PHE A C 864 O O . PHE A 107 ? 0.6289 0.5272 0.6164 -0.0920 -0.0565 0.1617 108 PHE A O 865 C CB . PHE A 107 ? 0.6128 0.5506 0.6723 -0.1094 -0.0334 0.1258 108 PHE A CB 866 C CG . PHE A 107 ? 0.6720 0.6051 0.7637 -0.1268 -0.0313 0.1209 108 PHE A CG 867 C CD1 . PHE A 107 ? 0.6435 0.6089 0.7550 -0.1438 -0.0139 0.1196 108 PHE A CD1 868 C CD2 . PHE A 107 ? 0.7280 0.6241 0.8348 -0.1262 -0.0472 0.1166 108 PHE A CD2 869 C CE1 . PHE A 107 ? 0.6388 0.6030 0.7874 -0.1621 -0.0154 0.1155 108 PHE A CE1 870 C CE2 . PHE A 107 ? 0.7489 0.6374 0.8844 -0.1450 -0.0484 0.1110 108 PHE A CE2 871 C CZ . PHE A 107 ? 0.7486 0.6729 0.9065 -0.1640 -0.0341 0.1111 108 PHE A CZ 872 N N . THR A 108 ? 0.6395 0.5904 0.6067 -0.1053 -0.0206 0.1512 109 THR A N 873 C CA . THR A 108 ? 0.6497 0.5960 0.5784 -0.0969 -0.0299 0.1576 109 THR A CA 874 C C . THR A 108 ? 0.5777 0.5535 0.5217 -0.0770 -0.0356 0.1368 109 THR A C 875 O O . THR A 108 ? 0.6378 0.6169 0.5532 -0.0730 -0.0402 0.1384 109 THR A O 876 C CB . THR A 108 ? 0.7665 0.7116 0.6458 -0.1136 -0.0092 0.1684 109 THR A CB 877 O OG1 . THR A 108 ? 0.9200 0.8614 0.7598 -0.1060 -0.0207 0.1697 109 THR A OG1 878 C CG2 . THR A 108 ? 0.6320 0.6149 0.5334 -0.1185 0.0206 0.1515 109 THR A CG2 879 N N . GLY A 109 ? 0.8863 0.4887 0.7217 -0.3334 -0.2038 0.0690 110 GLY A N 880 C CA . GLY A 109 ? 0.8843 0.4618 0.6733 -0.2976 -0.1702 0.0376 110 GLY A CA 881 C C . GLY A 109 ? 0.7781 0.4756 0.6743 -0.2861 -0.1532 0.0527 110 GLY A C 882 O O . GLY A 109 ? 0.8561 0.6345 0.8419 -0.3147 -0.1819 0.0958 110 GLY A O 883 N N . PHE A 110 ? 0.7344 0.4443 0.6227 -0.2424 -0.1052 0.0226 111 PHE A N 884 C CA . PHE A 110 ? 0.6575 0.4544 0.6194 -0.2309 -0.0921 0.0325 111 PHE A CA 885 C C . PHE A 110 ? 0.5656 0.4220 0.5704 -0.1819 -0.0325 0.0093 111 PHE A C 886 O O . PHE A 110 ? 0.5728 0.3909 0.5360 -0.1547 -0.0008 -0.0169 111 PHE A O 887 C CB . PHE A 110 ? 0.7359 0.4611 0.6196 -0.2446 -0.1194 0.0277 111 PHE A CB 888 C CG . PHE A 110 ? 0.7893 0.4251 0.5696 -0.2087 -0.0860 -0.0115 111 PHE A CG 889 C CD1 . PHE A 110 ? 0.7677 0.4494 0.5752 -0.1717 -0.0443 -0.0267 111 PHE A CD1 890 C CD2 . PHE A 110 ? 0.9115 0.4144 0.5646 -0.2091 -0.0946 -0.0278 111 PHE A CD2 891 C CE1 . PHE A 110 ? 0.8149 0.4266 0.5404 -0.1363 -0.0105 -0.0513 111 PHE A CE1 892 C CE2 . PHE A 110 ? 0.9679 0.3915 0.5277 -0.1669 -0.0549 -0.0545 111 PHE A CE2 893 C CZ . PHE A 110 ? 0.9404 0.4261 0.5444 -0.1305 -0.0121 -0.0634 111 PHE A CZ 894 N N . GLU A 111 ? 0.6200 0.5655 0.7050 -0.1717 -0.0202 0.0244 112 GLU A N 895 C CA . GLU A 111 ? 0.5209 0.5048 0.6289 -0.1329 0.0233 0.0056 112 GLU A CA 896 C C . GLU A 111 ? 0.4705 0.4817 0.5932 -0.1317 0.0178 0.0130 112 GLU A C 897 O O . GLU A 111 ? 0.4602 0.5249 0.6381 -0.1463 0.0000 0.0444 112 GLU A O 898 C CB . GLU A 111 ? 0.4272 0.4801 0.6058 -0.1137 0.0503 0.0144 112 GLU A CB 899 C CG . GLU A 111 ? 0.3465 0.4211 0.5343 -0.0804 0.0849 -0.0018 112 GLU A CG 900 C CD . GLU A 111 ? 0.4956 0.6129 0.7281 -0.0619 0.1071 0.0069 112 GLU A CD 901 O OE1 . GLU A 111 ? 0.5431 0.7052 0.8210 -0.0619 0.1059 0.0346 112 GLU A OE1 902 O OE2 . GLU A 111 ? 0.4514 0.5541 0.6708 -0.0459 0.1262 -0.0093 112 GLU A OE2 903 N N . ALA A 112 ? 0.4710 0.4496 0.5487 -0.1125 0.0349 -0.0108 113 ALA A N 904 C CA . ALA A 112 ? 0.5445 0.5396 0.6259 -0.1100 0.0309 -0.0082 113 ALA A CA 905 C C . ALA A 112 ? 0.5280 0.5438 0.6174 -0.0773 0.0658 -0.0243 113 ALA A C 906 O O . ALA A 112 ? 0.5301 0.5271 0.6022 -0.0596 0.0888 -0.0381 113 ALA A O 907 C CB . ALA A 112 ? 0.5223 0.4371 0.5224 -0.1286 0.0033 -0.0145 113 ALA A CB 908 N N . PHE A 113 ? 0.4104 0.4649 0.5276 -0.0715 0.0668 -0.0172 114 PHE A N 909 C CA . PHE A 113 ? 0.3873 0.4571 0.5095 -0.0471 0.0906 -0.0273 114 PHE A CA 910 C C . PHE A 113 ? 0.4756 0.5332 0.5731 -0.0468 0.0842 -0.0311 114 PHE A C 911 O O . PHE A 113 ? 0.4986 0.5594 0.5968 -0.0637 0.0617 -0.0206 114 PHE A O 912 C CB . PHE A 113 ? 0.3948 0.5131 0.5638 -0.0338 0.1022 -0.0154 114 PHE A CB 913 C CG . PHE A 113 ? 0.3943 0.5187 0.5803 -0.0285 0.1133 -0.0132 114 PHE A CG 914 C CD1 . PHE A 113 ? 0.4386 0.5798 0.6504 -0.0406 0.1045 0.0030 114 PHE A CD1 915 C CD2 . PHE A 113 ? 0.3856 0.4993 0.5639 -0.0143 0.1288 -0.0224 114 PHE A CD2 916 C CE1 . PHE A 113 ? 0.2339 0.3798 0.4600 -0.0345 0.1161 0.0052 114 PHE A CE1 917 C CE2 . PHE A 113 ? 0.3343 0.4481 0.5232 -0.0106 0.1370 -0.0205 114 PHE A CE2 918 C CZ . PHE A 113 ? 0.2220 0.3513 0.4331 -0.0185 0.1332 -0.0090 114 PHE A CZ 919 N N . TYR A 114 ? 0.4448 0.4920 0.5253 -0.0294 0.1020 -0.0408 115 TYR A N 920 C CA . TYR A 114 ? 0.5290 0.5658 0.5866 -0.0262 0.0994 -0.0434 115 TYR A CA 921 C C . TYR A 114 ? 0.5021 0.5670 0.5816 -0.0102 0.1134 -0.0410 115 TYR A C 922 O O . TYR A 114 ? 0.5227 0.5991 0.6208 -0.0019 0.1247 -0.0376 115 TYR A O 923 C CB . TYR A 114 ? 0.3941 0.3662 0.3848 -0.0219 0.1039 -0.0517 115 TYR A CB 924 C CG . TYR A 114 ? 0.4827 0.4430 0.4643 0.0021 0.1342 -0.0507 115 TYR A CG 925 C CD1 . TYR A 114 ? 0.5169 0.4571 0.4898 0.0054 0.1436 -0.0516 115 TYR A CD1 926 C CD2 . TYR A 114 ? 0.4155 0.3895 0.4032 0.0212 0.1530 -0.0423 115 TYR A CD2 927 C CE1 . TYR A 114 ? 0.5639 0.5007 0.5368 0.0292 0.1731 -0.0425 115 TYR A CE1 928 C CE2 . TYR A 114 ? 0.4189 0.3948 0.4131 0.0431 0.1807 -0.0282 115 TYR A CE2 929 C CZ . TYR A 114 ? 0.5139 0.4724 0.5018 0.0481 0.1917 -0.0275 115 TYR A CZ 930 O OH . TYR A 114 ? 0.5688 0.5362 0.5711 0.0718 0.2210 -0.0058 115 TYR A OH 931 N N . ALA A 115 ? 0.4330 0.5040 0.5069 -0.0094 0.1075 -0.0403 116 ALA A N 932 C CA . ALA A 115 ? 0.4147 0.5037 0.5013 0.0010 0.1138 -0.0354 116 ALA A CA 933 C C . ALA A 115 ? 0.4961 0.5781 0.5626 0.0021 0.1098 -0.0366 116 ALA A C 934 O O . ALA A 115 ? 0.4618 0.5355 0.5141 -0.0077 0.0963 -0.0400 116 ALA A O 935 C CB . ALA A 115 ? 0.3248 0.4359 0.4340 0.0028 0.1090 -0.0302 116 ALA A CB 936 N N . ALA A 116 ? 0.4993 0.5861 0.5675 0.0119 0.1187 -0.0288 117 ALA A N 937 C CA . ALA A 116 ? 0.4045 0.4880 0.4566 0.0150 0.1167 -0.0278 117 ALA A CA 938 C C . ALA A 116 ? 0.3975 0.5005 0.4619 0.0084 0.1006 -0.0294 117 ALA A C 939 O O . ALA A 116 ? 0.3954 0.5103 0.4763 0.0085 0.0965 -0.0262 117 ALA A O 940 C CB . ALA A 116 ? 0.2937 0.3871 0.3563 0.0269 0.1304 -0.0094 117 ALA A CB 941 N N . GLU A 117 ? 0.5629 0.6609 0.6107 0.0060 0.0934 -0.0328 118 GLU A N 942 C CA . GLU A 117 ? 0.5385 0.6550 0.5969 0.0033 0.0813 -0.0310 118 GLU A CA 943 C C . GLU A 117 ? 0.5416 0.6538 0.5832 0.0043 0.0771 -0.0316 118 GLU A C 944 O O . GLU A 117 ? 0.6253 0.7130 0.6382 0.0038 0.0797 -0.0357 118 GLU A O 945 C CB . GLU A 117 ? 0.5030 0.6290 0.5728 -0.0067 0.0706 -0.0282 118 GLU A CB 946 C CG . GLU A 117 ? 0.5838 0.7384 0.6761 -0.0015 0.0667 -0.0156 118 GLU A CG 947 C CD . GLU A 117 ? 0.6690 0.8469 0.7893 -0.0126 0.0558 0.0015 118 GLU A CD 948 O OE1 . GLU A 117 ? 0.7144 0.8803 0.8242 -0.0331 0.0361 0.0030 118 GLU A OE1 949 O OE2 . GLU A 117 ? 0.6893 0.8928 0.8382 -0.0012 0.0655 0.0179 118 GLU A OE2 950 N N . ASP A 118 ? 0.3936 0.5193 0.4421 0.0081 0.0717 -0.0271 119 ASP A N 951 C CA . ASP A 118 ? 0.3509 0.4751 0.3859 0.0086 0.0668 -0.0270 119 ASP A CA 952 C C . ASP A 118 ? 0.4254 0.5487 0.4521 -0.0000 0.0555 -0.0298 119 ASP A C 953 O O . ASP A 118 ? 0.4708 0.6129 0.5176 -0.0038 0.0481 -0.0225 119 ASP A O 954 C CB . ASP A 118 ? 0.3717 0.5004 0.4071 0.0140 0.0609 -0.0207 119 ASP A CB 955 C CG . ASP A 118 ? 0.4289 0.5586 0.4527 0.0138 0.0547 -0.0203 119 ASP A CG 956 O OD1 . ASP A 118 ? 0.3081 0.4333 0.3240 0.0129 0.0595 -0.0202 119 ASP A OD1 957 O OD2 . ASP A 118 ? 0.5042 0.6353 0.5221 0.0182 0.0482 -0.0181 119 ASP A OD2 958 N N . VAL A 119 ? 0.3660 0.4655 0.3620 -0.0025 0.0539 -0.0345 120 VAL A N 959 C CA . VAL A 119 ? 0.3799 0.4673 0.3579 -0.0157 0.0352 -0.0347 120 VAL A CA 960 C C . VAL A 119 ? 0.3306 0.4460 0.3263 -0.0132 0.0285 -0.0286 120 VAL A C 961 O O . VAL A 119 ? 0.5198 0.6357 0.5087 -0.0031 0.0362 -0.0305 120 VAL A O 962 C CB . VAL A 119 ? 0.4108 0.4415 0.3272 -0.0158 0.0362 -0.0427 120 VAL A CB 963 C CG1 . VAL A 119 ? 0.4509 0.4584 0.3392 -0.0345 0.0087 -0.0411 120 VAL A CG1 964 C CG2 . VAL A 119 ? 0.5130 0.5013 0.3965 -0.0147 0.0441 -0.0476 120 VAL A CG2 965 N N . ASP A 120 ? 0.3247 0.4658 0.3465 -0.0215 0.0143 -0.0155 121 ASP A N 966 C CA . ASP A 120 ? 0.4018 0.5673 0.4379 -0.0157 0.0103 -0.0058 121 ASP A CA 967 C C . ASP A 120 ? 0.4785 0.6272 0.4920 -0.0326 -0.0108 -0.0049 121 ASP A C 968 O O . ASP A 120 ? 0.4514 0.6116 0.4814 -0.0512 -0.0331 0.0130 121 ASP A O 969 C CB . ASP A 120 ? 0.3430 0.5500 0.4234 -0.0077 0.0131 0.0182 121 ASP A CB 970 C CG . ASP A 120 ? 0.4389 0.6632 0.5249 0.0106 0.0199 0.0293 121 ASP A CG 971 O OD1 . ASP A 120 ? 0.3831 0.5944 0.4467 0.0077 0.0130 0.0197 121 ASP A OD1 972 O OD2 . ASP A 120 ? 0.6072 0.8531 0.7143 0.0317 0.0351 0.0496 121 ASP A OD2 973 N N . GLU A 121 ? 0.4839 0.6044 0.4599 -0.0275 -0.0059 -0.0191 122 GLU A N 974 C CA . GLU A 121 ? 0.5362 0.6243 0.4732 -0.0408 -0.0242 -0.0211 122 GLU A CA 975 C C . GLU A 121 ? 0.5236 0.6468 0.4902 -0.0478 -0.0412 -0.0044 122 GLU A C 976 O O . GLU A 121 ? 0.6232 0.7240 0.5656 -0.0662 -0.0657 0.0006 122 GLU A O 977 C CB . GLU A 121 ? 0.5418 0.5972 0.4360 -0.0260 -0.0071 -0.0344 122 GLU A CB 978 C CG . GLU A 121 ? 0.5936 0.6114 0.4547 -0.0145 0.0136 -0.0420 122 GLU A CG 979 C CD . GLU A 121 ? 0.5603 0.6149 0.4632 0.0007 0.0354 -0.0380 122 GLU A CD 980 O OE1 . GLU A 121 ? 0.4637 0.5584 0.4075 0.0008 0.0314 -0.0330 122 GLU A OE1 981 O OE2 . GLU A 121 ? 0.5120 0.5482 0.4002 0.0134 0.0558 -0.0364 122 GLU A OE2 982 N N . CYS A 122 ? 0.4332 0.6033 0.4445 -0.0313 -0.0282 0.0067 123 CYS A N 983 C CA . CYS A 122 ? 0.4352 0.6409 0.4755 -0.0284 -0.0355 0.0274 123 CYS A CA 984 C C . CYS A 122 ? 0.5479 0.7946 0.6393 -0.0411 -0.0508 0.0625 123 CYS A C 985 O O . CYS A 122 ? 0.6968 0.9759 0.8181 -0.0456 -0.0636 0.0896 123 CYS A O 986 C CB . CYS A 122 ? 0.3164 0.5356 0.3622 0.0011 -0.0119 0.0272 123 CYS A CB 987 S SG . CYS A 122 ? 0.8624 1.0445 0.8628 0.0087 -0.0038 0.0009 123 CYS A SG 988 N N . ARG A 123 ? 0.6629 0.9132 0.7704 -0.0474 -0.0502 0.0678 124 ARG A N 989 C CA . ARG A 123 ? 0.8074 1.1038 0.9734 -0.0616 -0.0661 0.1099 124 ARG A CA 990 C C . ARG A 123 ? 0.9852 1.2457 1.1301 -0.1028 -0.1045 0.1122 124 ARG A C 991 O O . ARG A 123 ? 1.0963 1.3892 1.2873 -0.1283 -0.1335 0.1538 124 ARG A O 992 C CB . ARG A 123 ? 0.8697 1.2008 1.0741 -0.0343 -0.0353 0.1239 124 ARG A CB 993 C CG . ARG A 123 ? 1.0353 1.3829 1.2429 0.0085 -0.0001 0.1294 124 ARG A CG 994 C CD . ARG A 123 ? 1.1377 1.5017 1.3656 0.0378 0.0304 0.1458 124 ARG A CD 995 N NE . ARG A 123 ? 1.2596 1.6073 1.4582 0.0820 0.0639 0.1470 124 ARG A NE 996 C CZ . ARG A 123 ? 1.3498 1.6847 1.5354 0.1165 0.0951 0.1562 124 ARG A CZ 997 N NH1 . ARG A 123 ? 1.3724 1.7235 1.5859 0.1113 0.0988 0.1653 124 ARG A NH1 998 N NH2 . ARG A 123 ? 1.3840 1.6788 1.5174 0.1567 0.1215 0.1564 124 ARG A NH2 999 N N . THR A 124 ? 1.0285 1.2174 1.1001 -0.1083 -0.1053 0.0731 125 THR A N 1000 C CA . THR A 124 ? 1.1129 1.2373 1.1326 -0.1421 -0.1394 0.0700 125 THR A CA 1001 C C . THR A 124 ? 1.2264 1.3189 1.2171 -0.1763 -0.1856 0.0875 125 THR A C 1002 O O . THR A 124 ? 1.2387 1.3480 1.2343 -0.1682 -0.1830 0.0882 125 THR A O 1003 C CB . THR A 124 ? 1.0766 1.1243 1.0142 -0.1280 -0.1187 0.0280 125 THR A CB 1004 O OG1 . THR A 124 ? 0.9439 1.0273 0.9121 -0.0950 -0.0765 0.0136 125 THR A OG1 1005 C CG2 . THR A 124 ? 1.0863 1.0643 0.9687 -0.1526 -0.1431 0.0260 125 THR A CG2 1006 N N . SER A 125 ? 1.3332 1.3730 1.2882 -0.2169 -0.2318 0.1031 126 SER A N 1007 C CA . SER A 125 ? 1.4729 1.4647 1.3878 -0.2596 -0.2889 0.1251 126 SER A CA 1008 C C . SER A 125 ? 1.4512 1.5446 1.4714 -0.2704 -0.3056 0.1769 126 SER A C 1009 O O . SER A 125 ? 1.3977 1.5525 1.4973 -0.2949 -0.3321 0.2293 126 SER A O 1010 C CB . SER A 125 ? 1.4954 1.3930 1.3003 -0.2492 -0.2838 0.0860 126 SER A CB 1011 O OG . SER A 125 ? 1.5417 1.3479 1.2507 -0.2308 -0.2604 0.0469 126 SER A OG 1012 N N . ASP A 128 ? 1.2370 1.4303 1.3566 -0.2934 -0.3487 0.2562 129 ASP A N 1013 C CA . ASP A 128 ? 1.3626 1.5488 1.4786 -0.3048 -0.3667 0.2750 129 ASP A CA 1014 C C . ASP A 128 ? 1.4778 1.5578 1.4715 -0.3086 -0.3777 0.2220 129 ASP A C 1015 O O . ASP A 128 ? 1.4670 1.5170 1.4356 -0.3216 -0.3965 0.2305 129 ASP A O 1016 C CB . ASP A 128 ? 1.3880 1.5580 1.5254 -0.3475 -0.4095 0.3347 129 ASP A CB 1017 C CG . ASP A 128 ? 1.3109 1.5985 1.5775 -0.3353 -0.3900 0.4016 129 ASP A CG 1018 O OD1 . ASP A 128 ? 1.2140 1.5793 1.5408 -0.2922 -0.3417 0.3969 129 ASP A OD1 1019 O OD2 . ASP A 128 ? 1.3570 1.6520 1.6582 -0.3665 -0.4207 0.4626 129 ASP A OD2 1020 N N . SER A 129 ? 1.4838 1.5019 1.3986 -0.2918 -0.3579 0.1698 130 SER A N 1021 C CA . SER A 129 ? 1.5285 1.4455 1.3255 -0.2775 -0.3458 0.1207 130 SER A CA 1022 C C . SER A 129 ? 1.4978 1.4540 1.3125 -0.2212 -0.2763 0.0831 130 SER A C 1023 O O . SER A 129 ? 1.5160 1.4183 1.2704 -0.1985 -0.2458 0.0479 130 SER A O 1024 C CB . SER A 129 ? 1.5554 1.3338 1.2231 -0.2955 -0.3678 0.0975 130 SER A CB 1025 O OG . SER A 129 ? 1.5384 1.2157 1.0886 -0.2738 -0.3492 0.0583 130 SER A OG 1026 N N . VAL A 130 ? 1.4412 1.4879 1.3365 -0.1999 -0.2541 0.0962 131 VAL A N 1027 C CA . VAL A 130 ? 1.3866 1.4711 1.3029 -0.1535 -0.1985 0.0694 131 VAL A CA 1028 C C . VAL A 130 ? 1.3580 1.3718 1.1884 -0.1361 -0.1790 0.0302 131 VAL A C 1029 O O . VAL A 130 ? 1.4423 1.4129 1.2230 -0.1469 -0.1981 0.0272 131 VAL A O 1030 C CB . VAL A 130 ? 1.3573 1.5270 1.3507 -0.1354 -0.1848 0.0931 131 VAL A CB 1031 C CG1 . VAL A 130 ? 1.2776 1.4776 1.2900 -0.0929 -0.1356 0.0732 131 VAL A CG1 1032 C CG2 . VAL A 130 ? 1.3031 1.5435 1.3821 -0.1523 -0.2066 0.1476 131 VAL A CG2 1033 N N . PRO A 131 ? 1.1787 1.1830 0.9948 -0.1083 -0.1405 0.0056 132 PRO A N 1034 C CA . PRO A 131 ? 1.0756 1.0282 0.8266 -0.0861 -0.1150 -0.0196 132 PRO A CA 1035 C C . PRO A 131 ? 0.8967 0.8905 0.6745 -0.0686 -0.0998 -0.0211 132 PRO A C 1036 O O . PRO A 131 ? 1.0070 0.9621 0.7346 -0.0561 -0.0876 -0.0325 132 PRO A O 1037 C CB . PRO A 131 ? 1.0288 0.9849 0.7867 -0.0645 -0.0814 -0.0309 132 PRO A CB 1038 C CG . PRO A 131 ? 0.8867 0.9157 0.7267 -0.0666 -0.0810 -0.0173 132 PRO A CG 1039 C CD . PRO A 131 ? 0.9900 1.0333 0.8534 -0.0965 -0.1195 0.0068 132 PRO A CD 1040 N N . CYS A 132 ? 0.6287 0.6945 0.4788 -0.0647 -0.0985 -0.0068 133 CYS A N 1041 C CA . CYS A 132 ? 0.5341 0.6300 0.4017 -0.0480 -0.0861 -0.0077 133 CYS A CA 1042 C C . CYS A 132 ? 0.5772 0.6957 0.4640 -0.0611 -0.1105 0.0106 133 CYS A C 1043 O O . CYS A 132 ? 0.5440 0.6919 0.4699 -0.0769 -0.1307 0.0358 133 CYS A O 1044 C CB . CYS A 132 ? 0.4325 0.5715 0.3443 -0.0269 -0.0632 -0.0053 133 CYS A CB 1045 S SG . CYS A 132 ? 0.6689 0.7889 0.5672 -0.0143 -0.0384 -0.0199 133 CYS A SG 1046 N N . ASP A 133 ? 0.5688 0.6786 0.4340 -0.0544 -0.1087 0.0036 134 ASP A N 1047 C CA . ASP A 133 ? 0.5625 0.6907 0.4420 -0.0659 -0.1312 0.0209 134 ASP A CA 1048 C C . ASP A 133 ? 0.5122 0.7067 0.4573 -0.0495 -0.1210 0.0443 134 ASP A C 1049 O O . ASP A 133 ? 0.5156 0.7468 0.5021 -0.0602 -0.1392 0.0760 134 ASP A O 1050 C CB . ASP A 133 ? 0.6820 0.7785 0.5153 -0.0605 -0.1288 0.0055 134 ASP A CB 1051 C CG . ASP A 133 ? 0.8801 0.9775 0.7115 -0.0793 -0.1589 0.0211 134 ASP A CG 1052 O OD1 . ASP A 133 ? 1.0600 1.1655 0.9115 -0.1049 -0.1897 0.0449 134 ASP A OD1 1053 O OD2 . ASP A 133 ? 0.8827 0.9743 0.6956 -0.0710 -0.1550 0.0139 134 ASP A OD2 1054 N N . HIS A 134 ? 0.4781 0.6816 0.4273 -0.0224 -0.0925 0.0341 135 HIS A N 1055 C CA . HIS A 134 ? 0.3760 0.6162 0.3589 0.0025 -0.0766 0.0542 135 HIS A CA 1056 C C . HIS A 134 ? 0.4455 0.6910 0.4411 0.0202 -0.0552 0.0563 135 HIS A C 1057 O O . HIS A 134 ? 0.5204 0.8000 0.5581 0.0231 -0.0526 0.0826 135 HIS A O 1058 C CB . HIS A 134 ? 0.3881 0.6115 0.3410 0.0199 -0.0675 0.0433 135 HIS A CB 1059 C CG . HIS A 134 ? 0.3880 0.6183 0.3392 0.0102 -0.0843 0.0502 135 HIS A CG 1060 N ND1 . HIS A 134 ? 0.3925 0.6101 0.3189 0.0231 -0.0800 0.0439 135 HIS A ND1 1061 C CD2 . HIS A 134 ? 0.4029 0.6458 0.3697 -0.0142 -0.1097 0.0648 135 HIS A CD2 1062 C CE1 . HIS A 134 ? 0.4685 0.6963 0.3998 0.0102 -0.0977 0.0525 135 HIS A CE1 1063 N NE2 . HIS A 134 ? 0.4116 0.6527 0.3657 -0.0136 -0.1176 0.0659 135 HIS A NE2 1064 N N . TYR A 135 ? 0.5009 0.7134 0.4621 0.0309 -0.0422 0.0339 136 TYR A N 1065 C CA . TYR A 135 ? 0.4045 0.6094 0.3658 0.0460 -0.0252 0.0341 136 TYR A CA 1066 C C . TYR A 135 ? 0.3856 0.5755 0.3415 0.0300 -0.0270 0.0162 136 TYR A C 1067 O O . TYR A 135 ? 0.4180 0.5867 0.3509 0.0208 -0.0308 0.0005 136 TYR A O 1068 C CB . TYR A 135 ? 0.4301 0.5971 0.3483 0.0688 -0.0143 0.0296 136 TYR A CB 1069 C CG . TYR A 135 ? 0.4012 0.5665 0.3068 0.0938 -0.0059 0.0474 136 TYR A CG 1070 C CD1 . TYR A 135 ? 0.4107 0.6033 0.3429 0.1192 0.0131 0.0774 136 TYR A CD1 1071 C CD2 . TYR A 135 ? 0.5126 0.6492 0.3801 0.0954 -0.0141 0.0394 136 TYR A CD2 1072 C CE1 . TYR A 135 ? 0.4417 0.6312 0.3600 0.1501 0.0279 0.0998 136 TYR A CE1 1073 C CE2 . TYR A 135 ? 0.5473 0.6747 0.3951 0.1219 -0.0042 0.0560 136 TYR A CE2 1074 C CZ . TYR A 135 ? 0.5460 0.6987 0.4175 0.1515 0.0190 0.0864 136 TYR A CZ 1075 O OH . TYR A 135 ? 0.5444 0.6867 0.3941 0.1853 0.0356 0.1086 136 TYR A OH 1076 N N . CYS A 136 ? 0.3685 0.5716 0.3479 0.0302 -0.0210 0.0234 137 CYS A N 1077 C CA . CYS A 136 ? 0.4437 0.6311 0.4172 0.0198 -0.0189 0.0088 137 CYS A CA 1078 C C . CYS A 136 ? 0.4158 0.5889 0.3809 0.0360 -0.0040 0.0072 137 CYS A C 1079 O O . CYS A 136 ? 0.3374 0.5165 0.3091 0.0547 0.0071 0.0215 137 CYS A O 1080 C CB . CYS A 136 ? 0.5310 0.7330 0.5284 0.0022 -0.0293 0.0171 137 CYS A CB 1081 S SG . CYS A 136 ? 0.7485 0.9217 0.7282 -0.0078 -0.0248 -0.0007 137 CYS A SG 1082 N N . HIS A 137 ? 0.3842 0.5352 0.3321 0.0304 -0.0034 -0.0052 138 HIS A N 1083 C CA . HIS A 137 ? 0.3627 0.4904 0.2957 0.0386 0.0020 -0.0047 138 HIS A CA 1084 C C . HIS A 137 ? 0.3979 0.5280 0.3452 0.0289 0.0063 -0.0098 138 HIS A C 1085 O O . HIS A 137 ? 0.4101 0.5406 0.3593 0.0198 0.0059 -0.0123 138 HIS A O 1086 C CB . HIS A 137 ? 0.4483 0.5445 0.3479 0.0380 -0.0087 -0.0033 138 HIS A CB 1087 C CG . HIS A 137 ? 0.4712 0.5582 0.3490 0.0477 -0.0130 0.0000 138 HIS A CG 1088 N ND1 . HIS A 137 ? 0.4093 0.4708 0.2570 0.0710 -0.0052 0.0078 138 HIS A ND1 1089 C CD2 . HIS A 137 ? 0.4310 0.5272 0.3083 0.0412 -0.0211 -0.0013 138 HIS A CD2 1090 C CE1 . HIS A 137 ? 0.6060 0.6632 0.4377 0.0779 -0.0088 0.0111 138 HIS A CE1 1091 N NE2 . HIS A 137 ? 0.3982 0.4781 0.2498 0.0575 -0.0207 0.0044 138 HIS A NE2 1092 N N . ASN A 138 ? 0.4418 0.5730 0.3983 0.0351 0.0143 -0.0074 139 ASN A N 1093 C CA . ASN A 138 ? 0.3864 0.5199 0.3569 0.0274 0.0194 -0.0117 139 ASN A CA 1094 C C . ASN A 138 ? 0.4067 0.5149 0.3624 0.0279 0.0175 -0.0085 139 ASN A C 1095 O O . ASN A 138 ? 0.4172 0.4939 0.3417 0.0370 0.0127 -0.0039 139 ASN A O 1096 C CB . ASN A 138 ? 0.3017 0.4536 0.2954 0.0299 0.0258 -0.0076 139 ASN A CB 1097 C CG . ASN A 138 ? 0.5159 0.6656 0.5195 0.0223 0.0308 -0.0132 139 ASN A CG 1098 O OD1 . ASN A 138 ? 0.5131 0.6557 0.5114 0.0134 0.0308 -0.0201 139 ASN A OD1 1099 N ND2 . ASN A 138 ? 0.4167 0.5678 0.4294 0.0303 0.0386 -0.0081 139 ASN A ND2 1100 N N . TYR A 139 ? 0.3823 0.4961 0.3529 0.0188 0.0200 -0.0072 140 TYR A N 1101 C CA . TYR A 139 ? 0.3352 0.4308 0.3016 0.0140 0.0135 0.0026 140 TYR A CA 1102 C C . TYR A 139 ? 0.3189 0.4313 0.3126 0.0106 0.0256 0.0042 140 TYR A C 1103 O O . TYR A 139 ? 0.3474 0.4744 0.3510 0.0130 0.0386 -0.0030 140 TYR A O 1104 C CB . TYR A 139 ? 0.3882 0.4727 0.3463 0.0032 -0.0047 0.0197 140 TYR A CB 1105 C CG . TYR A 139 ? 0.3711 0.4885 0.3594 -0.0001 0.0031 0.0317 140 TYR A CG 1106 C CD1 . TYR A 139 ? 0.4079 0.5458 0.4281 -0.0024 0.0125 0.0508 140 TYR A CD1 1107 C CD2 . TYR A 139 ? 0.3238 0.4494 0.3059 0.0033 0.0047 0.0281 140 TYR A CD2 1108 C CE1 . TYR A 139 ? 0.3530 0.5166 0.3949 0.0044 0.0287 0.0688 140 TYR A CE1 1109 C CE2 . TYR A 139 ? 0.3119 0.4590 0.3115 0.0068 0.0173 0.0419 140 TYR A CE2 1110 C CZ . TYR A 139 ? 0.4080 0.5730 0.4359 0.0101 0.0319 0.0637 140 TYR A CZ 1111 O OH . TYR A 139 ? 0.4269 0.6096 0.4670 0.0232 0.0534 0.0844 140 TYR A OH 1112 N N . LEU A 140 ? 0.3520 0.4520 0.3480 0.0049 0.0192 0.0148 141 LEU A N 1113 C CA . LEU A 140 ? 0.3924 0.5073 0.4142 0.0040 0.0319 0.0186 141 LEU A CA 1114 C C . LEU A 140 ? 0.3540 0.4934 0.3986 0.0074 0.0470 0.0314 141 LEU A C 1115 O O . LEU A 140 ? 0.3867 0.5400 0.4511 0.0025 0.0417 0.0591 141 LEU A O 1116 C CB . LEU A 140 ? 0.5030 0.5990 0.5235 -0.0061 0.0168 0.0342 141 LEU A CB 1117 C CG . LEU A 140 ? 0.4905 0.5443 0.4708 -0.0014 0.0092 0.0225 141 LEU A CG 1118 C CD1 . LEU A 140 ? 0.5826 0.5987 0.5438 -0.0158 -0.0138 0.0401 141 LEU A CD1 1119 C CD2 . LEU A 140 ? 0.4716 0.5411 0.4645 0.0108 0.0311 0.0055 141 LEU A CD2 1120 N N . GLY A 141 ? 0.3086 0.4472 0.3449 0.0167 0.0653 0.0164 142 GLY A N 1121 C CA . GLY A 141 ? 0.3119 0.4523 0.3464 0.0294 0.0875 0.0276 142 GLY A CA 1122 C C . GLY A 141 ? 0.3883 0.5235 0.4023 0.0353 0.0898 0.0274 142 GLY A C 1123 O O . GLY A 141 ? 0.3752 0.5081 0.3823 0.0516 0.1116 0.0440 142 GLY A O 1124 N N . GLY A 142 ? 0.3438 0.4755 0.3459 0.0261 0.0710 0.0119 143 GLY A N 1125 C CA . GLY A 142 ? 0.3453 0.4709 0.3269 0.0297 0.0706 0.0103 143 GLY A CA 1126 C C . GLY A 142 ? 0.4400 0.5656 0.4134 0.0204 0.0501 -0.0038 143 GLY A C 1127 O O . GLY A 142 ? 0.4949 0.6235 0.4752 0.0154 0.0402 -0.0115 143 GLY A O 1128 N N . TYR A 143 ? 0.3941 0.5166 0.3522 0.0222 0.0476 -0.0032 144 TYR A N 1129 C CA . TYR A 143 ? 0.3679 0.4931 0.3199 0.0163 0.0305 -0.0115 144 TYR A CA 1130 C C . TYR A 143 ? 0.3389 0.4640 0.2794 0.0190 0.0294 -0.0051 144 TYR A C 1131 O O . TYR A 143 ? 0.5948 0.7143 0.5270 0.0279 0.0450 0.0051 144 TYR A O 1132 C CB . TYR A 143 ? 0.4204 0.5372 0.3610 0.0102 0.0235 -0.0242 144 TYR A CB 1133 C CG . TYR A 143 ? 0.4400 0.5262 0.3418 0.0081 0.0231 -0.0298 144 TYR A CG 1134 C CD1 . TYR A 143 ? 0.4285 0.4788 0.2966 0.0156 0.0387 -0.0313 144 TYR A CD1 1135 C CD2 . TYR A 143 ? 0.5206 0.6028 0.4085 0.0011 0.0077 -0.0318 144 TYR A CD2 1136 C CE1 . TYR A 143 ? 0.4826 0.4799 0.2896 0.0177 0.0388 -0.0367 144 TYR A CE1 1137 C CE2 . TYR A 143 ? 0.5652 0.6027 0.4016 -0.0023 0.0032 -0.0369 144 TYR A CE2 1138 C CZ . TYR A 143 ? 0.6009 0.5889 0.3896 0.0067 0.0188 -0.0403 144 TYR A CZ 1139 O OH . TYR A 143 ? 0.5779 0.4971 0.2904 0.0072 0.0149 -0.0457 144 TYR A OH 1140 N N . TYR A 144 ? 0.4599 0.5893 0.3976 0.0153 0.0145 -0.0078 145 TYR A N 1141 C CA . TYR A 144 ? 0.4834 0.6122 0.4089 0.0164 0.0112 -0.0036 145 TYR A CA 1142 C C . TYR A 144 ? 0.4601 0.5894 0.3766 0.0136 -0.0030 -0.0124 145 TYR A C 1143 O O . TYR A 144 ? 0.5715 0.7059 0.4961 0.0145 -0.0075 -0.0148 145 TYR A O 1144 C CB . TYR A 144 ? 0.3380 0.4768 0.2782 0.0144 0.0061 0.0177 145 TYR A CB 1145 C CG . TYR A 144 ? 0.3671 0.4949 0.3035 0.0074 -0.0138 0.0204 145 TYR A CG 1146 C CD1 . TYR A 144 ? 0.3360 0.4551 0.2778 0.0045 -0.0163 0.0238 145 TYR A CD1 1147 C CD2 . TYR A 144 ? 0.3506 0.4639 0.2651 0.0059 -0.0297 0.0200 145 TYR A CD2 1148 C CE1 . TYR A 144 ? 0.4625 0.5481 0.3770 0.0011 -0.0346 0.0262 145 TYR A CE1 1149 C CE2 . TYR A 144 ? 0.4574 0.5358 0.3428 0.0044 -0.0465 0.0227 145 TYR A CE2 1150 C CZ . TYR A 144 ? 0.5078 0.5671 0.3878 0.0024 -0.0491 0.0257 145 TYR A CZ 1151 O OH . TYR A 144 ? 0.5152 0.5176 0.3438 0.0038 -0.0660 0.0283 145 TYR A OH 1152 N N . CYS A 145 ? 0.4792 0.6050 0.3807 0.0134 -0.0069 -0.0124 146 CYS A N 1153 C CA . CYS A 145 ? 0.4246 0.5546 0.3212 0.0112 -0.0198 -0.0162 146 CYS A CA 1154 C C . CYS A 145 ? 0.4581 0.5883 0.3490 0.0146 -0.0274 -0.0098 146 CYS A C 1155 O O . CYS A 145 ? 0.4686 0.5964 0.3579 0.0132 -0.0272 -0.0008 146 CYS A O 1156 C CB . CYS A 145 ? 0.3855 0.5003 0.2587 0.0047 -0.0246 -0.0219 146 CYS A CB 1157 S SG . CYS A 145 ? 0.6020 0.6878 0.4541 -0.0035 -0.0239 -0.0285 146 CYS A SG 1158 N N . SER A 146 ? 0.4136 0.5460 0.3016 0.0200 -0.0342 -0.0090 147 SER A N 1159 C CA . SER A 146 ? 0.4725 0.5935 0.3411 0.0241 -0.0430 -0.0048 147 SER A CA 1160 C C . SER A 146 ? 0.4046 0.5391 0.2757 0.0281 -0.0465 -0.0035 147 SER A C 1161 O O . SER A 146 ? 0.3685 0.5230 0.2611 0.0252 -0.0458 -0.0005 147 SER A O 1162 C CB . SER A 146 ? 0.3924 0.4821 0.2356 0.0329 -0.0469 0.0010 147 SER A CB 1163 O OG . SER A 146 ? 0.5534 0.6405 0.3927 0.0510 -0.0366 0.0039 147 SER A OG 1164 N N . CYS A 147 ? 0.3870 0.5114 0.2388 0.0319 -0.0536 -0.0011 148 CYS A N 1165 C CA . CYS A 147 ? 0.4617 0.6018 0.3190 0.0360 -0.0575 0.0043 148 CYS A CA 1166 C C . CYS A 147 ? 0.5510 0.6705 0.3818 0.0570 -0.0545 0.0132 148 CYS A C 1167 O O . CYS A 147 ? 0.6058 0.6842 0.3987 0.0622 -0.0572 0.0113 148 CYS A O 1168 C CB . CYS A 147 ? 0.4368 0.5779 0.2867 0.0225 -0.0671 -0.0018 148 CYS A CB 1169 S SG . CYS A 147 ? 0.6104 0.7462 0.4592 0.0071 -0.0656 -0.0108 148 CYS A SG 1170 N N . ARG A 148 ? 0.5510 0.6921 0.3960 0.0692 -0.0507 0.0272 149 ARG A N 1171 C CA . ARG A 148 ? 0.5388 0.6533 0.3499 0.0989 -0.0399 0.0400 149 ARG A CA 1172 C C . ARG A 148 ? 0.5647 0.6496 0.3368 0.0963 -0.0528 0.0330 149 ARG A C 1173 O O . ARG A 148 ? 0.5144 0.6065 0.2929 0.0720 -0.0682 0.0207 149 ARG A O 1174 C CB . ARG A 148 ? 0.4776 0.6364 0.3296 0.1188 -0.0252 0.0695 149 ARG A CB 1175 C CG . ARG A 148 ? 0.6263 0.8347 0.5247 0.0977 -0.0418 0.0791 149 ARG A CG 1176 C CD . ARG A 148 ? 0.6855 0.9446 0.6338 0.1176 -0.0295 0.1221 149 ARG A CD 1177 N NE . ARG A 148 ? 0.8029 1.1047 0.7936 0.0923 -0.0535 0.1376 149 ARG A NE 1178 C CZ . ARG A 148 ? 0.8563 1.1972 0.8975 0.0613 -0.0757 0.1539 149 ARG A CZ 1179 N NH1 . ARG A 148 ? 0.7632 1.1123 0.8245 0.0540 -0.0736 0.1559 149 ARG A NH1 1180 N NH2 . ARG A 148 ? 0.8574 1.2211 0.9223 0.0350 -0.1044 0.1695 149 ARG A NH2 1181 N N . VAL A 149 ? 0.6995 0.7453 0.4251 0.1249 -0.0436 0.0437 150 VAL A N 1182 C CA . VAL A 149 ? 0.6991 0.7034 0.3751 0.1241 -0.0576 0.0385 150 VAL A CA 1183 C C . VAL A 149 ? 0.6820 0.7357 0.3985 0.1099 -0.0664 0.0392 150 VAL A C 1184 O O . VAL A 149 ? 0.6598 0.7654 0.4254 0.1146 -0.0585 0.0543 150 VAL A O 1185 C CB . VAL A 149 ? 0.6765 0.6134 0.2779 0.1647 -0.0420 0.0517 150 VAL A CB 1186 C CG1 . VAL A 149 ? 0.6883 0.5616 0.2212 0.1589 -0.0634 0.0444 150 VAL A CG1 1187 C CG2 . VAL A 149 ? 0.6883 0.5661 0.2389 0.1831 -0.0306 0.0532 150 VAL A CG2 1188 N N . GLY A 150 ? 0.7059 0.7425 0.4023 0.0905 -0.0858 0.0276 151 GLY A N 1189 C CA . GLY A 150 ? 0.7765 0.8481 0.4991 0.0767 -0.0951 0.0260 151 GLY A CA 1190 C C . GLY A 150 ? 0.7604 0.8674 0.5228 0.0512 -0.1004 0.0167 151 GLY A C 1191 O O . GLY A 150 ? 0.6696 0.7977 0.4470 0.0390 -0.1080 0.0153 151 GLY A O 1192 N N . TYR A 151 ? 0.7216 0.8245 0.4904 0.0449 -0.0961 0.0113 152 TYR A N 1193 C CA . TYR A 151 ? 0.6064 0.7286 0.3990 0.0279 -0.0955 0.0040 152 TYR A CA 1194 C C . TYR A 151 ? 0.6328 0.7415 0.4207 0.0213 -0.0929 0.0018 152 TYR A C 1195 O O . TYR A 151 ? 0.7379 0.8234 0.5092 0.0250 -0.0968 0.0068 152 TYR A O 1196 C CB . TYR A 151 ? 0.4567 0.6020 0.2790 0.0279 -0.0903 0.0084 152 TYR A CB 1197 C CG . TYR A 151 ? 0.5513 0.7223 0.3950 0.0233 -0.0998 0.0207 152 TYR A CG 1198 C CD1 . TYR A 151 ? 0.5686 0.7587 0.4277 0.0418 -0.0946 0.0412 152 TYR A CD1 1199 C CD2 . TYR A 151 ? 0.5833 0.7528 0.4262 0.0013 -0.1146 0.0173 152 TYR A CD2 1200 C CE1 . TYR A 151 ? 0.5649 0.7894 0.4573 0.0351 -0.1060 0.0632 152 TYR A CE1 1201 C CE2 . TYR A 151 ? 0.6409 0.8298 0.5030 -0.0107 -0.1330 0.0348 152 TYR A CE2 1202 C CZ . TYR A 151 ? 0.6408 0.8661 0.5374 0.0045 -0.1296 0.0604 152 TYR A CZ 1203 O OH . TYR A 151 ? 0.7460 1.0013 0.6749 -0.0098 -0.1504 0.0880 152 TYR A OH 1204 N N . ILE A 152 ? 0.5615 0.6780 0.3579 0.0128 -0.0871 -0.0012 153 ILE A N 1205 C CA . ILE A 152 ? 0.6156 0.7314 0.4205 0.0100 -0.0795 0.0061 153 ILE A CA 1206 C C . ILE A 152 ? 0.6432 0.7606 0.4532 0.0106 -0.0645 0.0004 153 ILE A C 1207 O O . ILE A 152 ? 0.6625 0.7696 0.4557 0.0088 -0.0644 -0.0083 153 ILE A O 1208 C CB . ILE A 152 ? 0.7485 0.8670 0.5522 0.0068 -0.0811 0.0214 153 ILE A CB 1209 C CG1 . ILE A 152 ? 0.7742 0.8899 0.5608 0.0100 -0.0754 0.0154 153 ILE A CG1 1210 C CG2 . ILE A 152 ? 0.7943 0.8990 0.5867 0.0007 -0.1024 0.0316 153 ILE A CG2 1211 C CD1 . ILE A 152 ? 0.8444 0.9669 0.6332 0.0131 -0.0673 0.0356 153 ILE A CD1 1212 N N . LEU A 153 ? 0.5987 0.7201 0.4240 0.0116 -0.0551 0.0073 154 LEU A N 1213 C CA . LEU A 153 ? 0.5398 0.6540 0.3617 0.0154 -0.0386 0.0030 154 LEU A CA 1214 C C . LEU A 153 ? 0.5766 0.6758 0.3749 0.0254 -0.0209 0.0109 154 LEU A C 1215 O O . LEU A 153 ? 0.6918 0.8070 0.5054 0.0314 -0.0123 0.0331 154 LEU A O 1216 C CB . LEU A 153 ? 0.5328 0.6571 0.3793 0.0159 -0.0316 0.0116 154 LEU A CB 1217 C CG . LEU A 153 ? 0.5579 0.6709 0.3982 0.0214 -0.0140 0.0065 154 LEU A CG 1218 C CD1 . LEU A 153 ? 0.5473 0.6459 0.3727 0.0144 -0.0239 -0.0123 154 LEU A CD1 1219 C CD2 . LEU A 153 ? 0.4987 0.6267 0.3688 0.0215 -0.0078 0.0187 154 LEU A CD2 1220 N N . HIS A 154 ? 0.6175 0.6798 0.3730 0.0277 -0.0168 -0.0025 155 HIS A N 1221 C CA . HIS A 154 ? 0.6540 0.6771 0.3601 0.0444 0.0043 0.0033 155 HIS A CA 1222 C C . HIS A 154 ? 0.6853 0.7088 0.3968 0.0658 0.0378 0.0232 155 HIS A C 1223 O O . HIS A 154 ? 0.6260 0.6743 0.3752 0.0620 0.0391 0.0269 155 HIS A O 1224 C CB . HIS A 154 ? 0.6085 0.5678 0.2462 0.0374 -0.0079 -0.0160 155 HIS A CB 1225 C CG . HIS A 154 ? 0.8105 0.7034 0.3689 0.0570 0.0113 -0.0131 155 HIS A CG 1226 N ND1 . HIS A 154 ? 0.8066 0.6356 0.3001 0.0796 0.0391 -0.0102 155 HIS A ND1 1227 C CD2 . HIS A 154 ? 0.8432 0.7138 0.3660 0.0616 0.0096 -0.0117 155 HIS A CD2 1228 C CE1 . HIS A 154 ? 0.8483 0.6119 0.2623 0.1006 0.0562 -0.0062 155 HIS A CE1 1229 N NE2 . HIS A 154 ? 0.9036 0.6939 0.3369 0.0885 0.0376 -0.0075 155 HIS A NE2 1230 N N . GLN A 155 ? 0.7633 0.7586 0.4362 0.0917 0.0676 0.0401 156 GLN A N 1231 C CA . GLN A 155 ? 0.7284 0.7229 0.4031 0.1217 0.1086 0.0689 156 GLN A CA 1232 C C . GLN A 155 ? 0.7969 0.7480 0.4355 0.1259 0.1166 0.0531 156 GLN A C 1233 O O . GLN A 155 ? 0.6583 0.6322 0.3284 0.1411 0.1411 0.0750 156 GLN A O 1234 C CB . GLN A 155 ? 0.8014 0.7541 0.4181 0.1577 0.1457 0.0898 156 GLN A CB 1235 C CG . GLN A 155 ? 0.9199 0.8567 0.5200 0.2012 0.1993 0.1249 156 GLN A CG 1236 C CD . GLN A 155 ? 1.0648 1.0993 0.7766 0.2027 0.2106 0.1730 156 GLN A CD 1237 O OE1 . GLN A 155 ? 1.0204 1.1231 0.8079 0.1750 0.1809 0.1861 156 GLN A OE1 1238 N NE2 . GLN A 155 ? 1.2541 1.2888 0.9709 0.2336 0.2508 0.2029 156 GLN A NE2 1239 N N . ASN A 156 ? 0.8902 0.7804 0.4663 0.1095 0.0924 0.0197 157 ASN A N 1240 C CA . ASN A 156 ? 0.9045 0.7442 0.4381 0.1083 0.0928 0.0052 157 ASN A CA 1241 C C . ASN A 156 ? 0.7185 0.6209 0.3313 0.0861 0.0750 0.0004 157 ASN A C 1242 O O . ASN A 156 ? 0.6926 0.5644 0.2834 0.0805 0.0710 -0.0111 157 ASN A O 1243 C CB . ASN A 156 ? 1.0834 0.8339 0.5246 0.0900 0.0625 -0.0207 157 ASN A CB 1244 C CG . ASN A 156 ? 1.1558 0.9488 0.6434 0.0513 0.0154 -0.0337 157 ASN A CG 1245 O OD1 . ASN A 156 ? 1.2063 1.0842 0.7824 0.0424 0.0087 -0.0283 157 ASN A OD1 1246 N ND2 . ASN A 156 ? 1.1683 0.8950 0.5901 0.0286 -0.0187 -0.0463 157 ASN A ND2 1247 N N . LYS A 157 ? 0.5848 0.5637 0.2784 0.0738 0.0629 0.0097 158 LYS A N 1248 C CA . LYS A 157 ? 0.6352 0.6642 0.3934 0.0585 0.0499 0.0092 158 LYS A CA 1249 C C . LYS A 157 ? 0.6334 0.6542 0.3890 0.0361 0.0216 -0.0141 158 LYS A C 1250 O O . LYS A 157 ? 0.7374 0.7839 0.5301 0.0288 0.0165 -0.0157 158 LYS A O 1251 C CB . LYS A 157 ? 0.5573 0.5924 0.3313 0.0747 0.0771 0.0262 158 LYS A CB 1252 C CG . LYS A 157 ? 0.5327 0.5881 0.3240 0.1005 0.1098 0.0642 158 LYS A CG 1253 C CD . LYS A 157 ? 0.7105 0.8328 0.5769 0.0856 0.0931 0.0900 158 LYS A CD 1254 C CE . LYS A 157 ? 0.5629 0.7191 0.4631 0.1073 0.1217 0.1411 158 LYS A CE 1255 N NZ . LYS A 157 ? 0.5255 0.6593 0.3855 0.1261 0.1382 0.1468 158 LYS A NZ 1256 N N . HIS A 158 ? 0.6883 0.6754 0.4029 0.0250 0.0023 -0.0263 159 HIS A N 1257 C CA . HIS A 158 ? 0.6630 0.6499 0.3846 0.0021 -0.0266 -0.0353 159 HIS A CA 1258 C C . HIS A 158 ? 0.6354 0.6355 0.3637 -0.0124 -0.0524 -0.0346 159 HIS A C 1259 O O . HIS A 158 ? 0.5843 0.6328 0.3643 -0.0189 -0.0638 -0.0287 159 HIS A O 1260 C CB . HIS A 158 ? 0.8414 0.7581 0.4976 -0.0049 -0.0331 -0.0425 159 HIS A CB 1261 C CG . HIS A 158 ? 1.0170 0.9272 0.6761 0.0061 -0.0122 -0.0426 159 HIS A CG 1262 N ND1 . HIS A 158 ? 1.1154 1.0344 0.7967 -0.0103 -0.0274 -0.0447 159 HIS A ND1 1263 C CD2 . HIS A 158 ? 1.0869 0.9878 0.7352 0.0329 0.0237 -0.0357 159 HIS A CD2 1264 C CE1 . HIS A 158 ? 1.0507 0.9604 0.7286 0.0048 -0.0030 -0.0447 159 HIS A CE1 1265 N NE2 . HIS A 158 ? 1.0653 0.9656 0.7252 0.0316 0.0287 -0.0376 159 HIS A NE2 1266 N N . THR A 159 ? 0.6486 0.5999 0.3183 -0.0138 -0.0589 -0.0380 160 THR A N 1267 C CA . THR A 159 ? 0.5971 0.5568 0.2690 -0.0284 -0.0845 -0.0351 160 THR A CA 1268 C C . THR A 159 ? 0.5350 0.5523 0.2573 -0.0172 -0.0753 -0.0301 160 THR A C 1269 O O . THR A 159 ? 0.5531 0.5838 0.2862 -0.0004 -0.0523 -0.0277 160 THR A O 1270 C CB . THR A 159 ? 0.6967 0.5776 0.2803 -0.0298 -0.0916 -0.0407 160 THR A CB 1271 O OG1 . THR A 159 ? 0.8664 0.6672 0.3767 -0.0368 -0.0991 -0.0461 160 THR A OG1 1272 C CG2 . THR A 159 ? 0.7384 0.6240 0.3237 -0.0522 -0.1266 -0.0351 160 THR A CG2 1273 N N . CYS A 160 ? 0.6822 0.7918 0.4557 0.0567 -0.0713 0.2442 161 CYS A N 1274 C CA . CYS A 160 ? 0.7239 0.8588 0.4693 0.0466 -0.0842 0.2176 161 CYS A CA 1275 C C . CYS A 160 ? 0.6046 0.7515 0.3937 0.0344 -0.0731 0.1828 161 CYS A C 1276 O O . CYS A 160 ? 0.5844 0.7174 0.3809 0.0261 -0.0450 0.1734 161 CYS A O 1277 C CB . CYS A 160 ? 0.7801 0.8981 0.4463 0.0422 -0.0699 0.2220 161 CYS A CB 1278 S SG . CYS A 160 ? 2.4230 2.5511 2.0235 0.0365 -0.1000 0.1948 161 CYS A SG 1279 N N . SER A 161 ? 0.7011 0.8776 0.5226 0.0329 -0.0963 0.1678 162 SER A N 1280 C CA . SER A 161 ? 0.5293 0.7167 0.3900 0.0225 -0.0882 0.1394 162 SER A CA 1281 C C . SER A 161 ? 0.5793 0.7618 0.3993 0.0074 -0.0903 0.1143 162 SER A C 1282 O O . SER A 161 ? 0.7128 0.8936 0.4823 0.0038 -0.1123 0.1135 162 SER A O 1283 C CB . SER A 161 ? 0.5013 0.7251 0.4186 0.0277 -0.1071 0.1401 162 SER A CB 1284 O OG . SER A 161 ? 0.4874 0.7115 0.4348 0.0495 -0.1056 0.1631 162 SER A OG 1285 N N . ALA A 162 ? 0.5964 0.7711 0.4336 0.0005 -0.0700 0.0931 163 ALA A N 1286 C CA . ALA A 162 ? 0.6017 0.7624 0.4003 -0.0085 -0.0682 0.0685 163 ALA A CA 1287 C C . ALA A 162 ? 0.6166 0.7887 0.4265 -0.0219 -0.0973 0.0528 163 ALA A C 1288 O O . ALA A 162 ? 0.7480 0.9484 0.6149 -0.0247 -0.1073 0.0589 163 ALA A O 1289 C CB . ALA A 162 ? 0.4710 0.6219 0.2891 -0.0083 -0.0378 0.0558 163 ALA A CB 1290 N N . LEU A 163 ? 0.5992 0.7464 0.3527 -0.0301 -0.1098 0.0336 164 LEU A N 1291 C CA . LEU A 163 ? 0.5934 0.7402 0.3552 -0.0495 -0.1389 0.0173 164 LEU A CA 1292 C C . LEU A 163 ? 0.7832 0.9083 0.5573 -0.0530 -0.1189 -0.0040 164 LEU A C 1293 O O . LEU A 163 ? 0.9213 1.0042 0.6414 -0.0543 -0.1186 -0.0263 164 LEU A O 1294 C CB . LEU A 163 ? 0.6458 0.7635 0.3306 -0.0584 -0.1716 0.0055 164 LEU A CB 1295 C CG . LEU A 163 ? 0.6840 0.8237 0.3509 -0.0563 -0.2015 0.0279 164 LEU A CG 1296 C CD1 . LEU A 163 ? 0.8552 0.9532 0.4241 -0.0633 -0.2338 0.0114 164 LEU A CD1 1297 C CD2 . LEU A 163 ? 0.6403 0.8367 0.3916 -0.0682 -0.2296 0.0470 164 LEU A CD2 1298 N N . CYS A 164 ? 0.7417 0.8908 0.5808 -0.0513 -0.1028 0.0029 165 CYS A N 1299 C CA . CYS A 164 ? 0.7040 0.8354 0.5560 -0.0504 -0.0828 -0.0119 165 CYS A CA 1300 C C . CYS A 164 ? 0.7468 0.8928 0.6461 -0.0655 -0.0933 -0.0115 165 CYS A C 1301 O O . CYS A 164 ? 0.7588 0.9030 0.6837 -0.0613 -0.0756 -0.0142 165 CYS A O 1302 C CB . CYS A 164 ? 0.6455 0.7857 0.5219 -0.0345 -0.0525 -0.0043 165 CYS A CB 1303 S SG . CYS A 164 ? 0.7990 0.9732 0.7266 -0.0281 -0.0518 0.0192 165 CYS A SG 1304 N N . SER A 165 ? 0.8565 1.0198 0.7685 -0.0838 -0.1230 -0.0052 166 SER A N 1305 C CA . SER A 165 ? 0.8368 1.0227 0.8010 -0.1012 -0.1308 0.0022 166 SER A CA 1306 C C . SER A 165 ? 0.9419 1.0945 0.8832 -0.1292 -0.1589 -0.0111 166 SER A C 1307 O O . SER A 165 ? 1.0635 1.1931 0.9586 -0.1394 -0.1867 -0.0211 166 SER A O 1308 C CB . SER A 165 ? 0.8177 1.0661 0.8408 -0.1013 -0.1405 0.0283 166 SER A CB 1309 O OG . SER A 165 ? 0.9193 1.1849 0.9596 -0.0742 -0.1150 0.0386 166 SER A OG 1310 N N . GLY A 166 ? 0.9502 1.0928 0.9173 -0.1421 -0.1530 -0.0112 167 GLY A N 1311 C CA . GLY A 166 ? 1.0717 1.1823 1.0308 -0.1749 -0.1824 -0.0181 167 GLY A CA 1312 C C . GLY A 166 ? 1.1812 1.2066 1.0663 -0.1741 -0.1859 -0.0482 167 GLY A C 1313 O O . GLY A 166 ? 1.2373 1.2183 1.0883 -0.1994 -0.2199 -0.0616 167 GLY A O 1314 N N . GLN A 167 ? 1.1663 1.1666 1.0263 -0.1445 -0.1528 -0.0592 168 GLN A N 1315 C CA . GLN A 167 ? 1.1882 1.1110 0.9887 -0.1370 -0.1498 -0.0844 168 GLN A CA 1316 C C . GLN A 167 ? 1.1318 1.0371 0.9629 -0.1431 -0.1396 -0.0774 168 GLN A C 1317 O O . GLN A 167 ? 1.1342 1.0668 0.9957 -0.1237 -0.1119 -0.0666 168 GLN A O 1318 C CB . GLN A 167 ? 1.1686 1.0785 0.9275 -0.0990 -0.1199 -0.0975 168 GLN A CB 1319 C CG . GLN A 167 ? 1.2561 1.0890 0.9548 -0.0827 -0.1126 -0.1228 168 GLN A CG 1320 C CD . GLN A 167 ? 1.2276 1.0605 0.8947 -0.0435 -0.0790 -0.1311 168 GLN A CD 1321 O OE1 . GLN A 167 ? 1.0773 0.9659 0.7703 -0.0329 -0.0621 -0.1164 168 GLN A OE1 1322 N NE2 . GLN A 167 ? 1.3154 1.0851 0.9288 -0.0209 -0.0681 -0.1527 168 GLN A NE2 1323 N N . VAL A 168 ? 1.0345 0.8895 0.8537 -0.1719 -0.1651 -0.0824 169 VAL A N 1324 C CA . VAL A 168 ? 0.9180 0.7505 0.7633 -0.1818 -0.1578 -0.0704 169 VAL A CA 1325 C C . VAL A 168 ? 0.9338 0.6872 0.7241 -0.1555 -0.1445 -0.0917 169 VAL A C 1326 O O . VAL A 168 ? 1.0121 0.6933 0.7369 -0.1519 -0.1590 -0.1188 169 VAL A O 1327 C CB . VAL A 168 ? 0.8996 0.7163 0.7695 -0.2307 -0.1918 -0.0586 169 VAL A CB 1328 C CG1 . VAL A 168 ? 0.8712 0.6744 0.7746 -0.2415 -0.1785 -0.0367 169 VAL A CG1 1329 C CG2 . VAL A 168 ? 0.8175 0.7203 0.7475 -0.2536 -0.2075 -0.0363 169 VAL A CG2 1330 N N . PHE A 169 ? 0.8830 0.6490 0.6968 -0.1338 -0.1177 -0.0794 170 PHE A N 1331 C CA . PHE A 169 ? 0.9421 0.6441 0.7173 -0.1044 -0.1044 -0.0933 170 PHE A CA 1332 C C . PHE A 169 ? 0.9450 0.5914 0.7239 -0.1238 -0.1141 -0.0809 170 PHE A C 1333 O O . PHE A 169 ? 0.8661 0.5523 0.6929 -0.1407 -0.1092 -0.0522 170 PHE A O 1334 C CB . PHE A 169 ? 0.8590 0.6100 0.6571 -0.0670 -0.0741 -0.0862 170 PHE A CB 1335 C CG . PHE A 169 ? 0.7861 0.5892 0.5856 -0.0507 -0.0626 -0.0931 170 PHE A CG 1336 C CD1 . PHE A 169 ? 0.7411 0.6139 0.5817 -0.0632 -0.0621 -0.0775 170 PHE A CD1 1337 C CD2 . PHE A 169 ? 0.7984 0.5787 0.5574 -0.0207 -0.0495 -0.1126 170 PHE A CD2 1338 C CE1 . PHE A 169 ? 0.7914 0.7035 0.6317 -0.0498 -0.0523 -0.0805 170 PHE A CE1 1339 C CE2 . PHE A 169 ? 0.8246 0.6526 0.5858 -0.0083 -0.0363 -0.1132 170 PHE A CE2 1340 C CZ . PHE A 169 ? 0.7830 0.6737 0.5845 -0.0247 -0.0396 -0.0968 170 PHE A CZ 1341 N N . THR A 170 ? 0.9845 0.5340 0.7079 -0.1195 -0.1259 -0.1015 171 THR A N 1342 C CA . THR A 170 ? 1.0597 0.5399 0.7803 -0.1406 -0.1381 -0.0891 171 THR A CA 1343 C C . THR A 170 ? 1.1302 0.5341 0.8085 -0.0988 -0.1243 -0.1002 171 THR A C 1344 O O . THR A 170 ? 1.1984 0.5366 0.8699 -0.1085 -0.1312 -0.0874 171 THR A O 1345 C CB . THR A 170 ? 1.1278 0.5416 0.8231 -0.1877 -0.1774 -0.1000 171 THR A CB 1346 O OG1 . THR A 170 ? 1.2513 0.6023 0.8710 -0.1696 -0.1890 -0.1407 171 THR A OG1 1347 C CG2 . THR A 170 ? 0.9952 0.4941 0.7516 -0.2323 -0.1937 -0.0785 171 THR A CG2 1348 N N . GLY A 171 ? 1.0887 0.5037 0.7426 -0.0515 -0.1037 -0.1204 172 GLY A N 1349 C CA . GLY A 171 ? 1.1133 0.4748 0.7396 -0.0038 -0.0868 -0.1276 172 GLY A CA 1350 C C . GLY A 171 ? 1.0778 0.4902 0.7553 0.0107 -0.0718 -0.0957 172 GLY A C 1351 O O . GLY A 171 ? 0.9128 0.4119 0.6396 -0.0053 -0.0670 -0.0754 172 GLY A O 1352 N N . ARG A 172 ? 1.1138 0.4679 0.7739 0.0435 -0.0660 -0.0917 173 ARG A N 1353 C CA . ARG A 172 ? 1.1245 0.5193 0.8230 0.0605 -0.0569 -0.0613 173 ARG A CA 1354 C C . ARG A 172 ? 1.0251 0.5239 0.7655 0.0875 -0.0395 -0.0586 173 ARG A C 1355 O O . ARG A 172 ? 0.9591 0.5146 0.7349 0.0871 -0.0381 -0.0349 173 ARG A O 1356 C CB . ARG A 172 ? 1.2346 0.5438 0.9040 0.0972 -0.0563 -0.0575 173 ARG A CB 1357 C CG . ARG A 172 ? 1.3313 0.5469 0.9763 0.0651 -0.0745 -0.0410 173 ARG A CG 1358 C CD . ARG A 172 ? 1.4961 0.6585 1.1308 0.1031 -0.0719 -0.0205 173 ARG A CD 1359 N NE . ARG A 172 ? 1.5059 0.7566 1.1838 0.1159 -0.0644 0.0102 173 ARG A NE 1360 C CZ . ARG A 172 ? 1.6542 0.8912 1.3328 0.1560 -0.0634 0.0308 173 ARG A CZ 1361 N NH1 . ARG A 172 ? 1.7678 0.9075 1.4115 0.1911 -0.0653 0.0254 173 ARG A NH1 1362 N NH2 . ARG A 172 ? 1.6014 0.9180 1.3116 0.1631 -0.0625 0.0560 173 ARG A NH2 1363 N N . SER A 173 ? 0.9546 0.4740 0.6867 0.1099 -0.0271 -0.0823 174 SER A N 1364 C CA . SER A 173 ? 0.9345 0.5507 0.7110 0.1293 -0.0116 -0.0782 174 SER A CA 1365 C C . SER A 173 ? 0.9533 0.5990 0.7191 0.1230 -0.0027 -0.0983 174 SER A C 1366 O O . SER A 173 ? 1.0842 0.6681 0.7977 0.1184 -0.0064 -0.1205 174 SER A O 1367 C CB . SER A 173 ? 0.9549 0.5797 0.7477 0.1818 0.0022 -0.0740 174 SER A CB 1368 O OG . SER A 173 ? 1.1591 0.7166 0.9068 0.2150 0.0145 -0.0963 174 SER A OG 1369 N N . GLY A 174 ? 0.7982 0.5318 0.6074 0.1218 0.0065 -0.0901 175 GLY A N 1370 C CA . GLY A 174 ? 0.7445 0.5081 0.5436 0.1173 0.0165 -0.1032 175 GLY A CA 1371 C C . GLY A 174 ? 0.7795 0.6342 0.6316 0.1137 0.0251 -0.0894 175 GLY A C 1372 O O . GLY A 174 ? 0.7292 0.6253 0.6257 0.1155 0.0213 -0.0725 175 GLY A O 1373 N N . PHE A 175 ? 0.7730 0.6523 0.6146 0.1075 0.0340 -0.0965 176 PHE A N 1374 C CA . PHE A 175 ? 0.6284 0.5835 0.5161 0.1029 0.0428 -0.0829 176 PHE A CA 1375 C C . PHE A 175 ? 0.6112 0.5819 0.4913 0.0718 0.0330 -0.0821 176 PHE A C 1376 O O . PHE A 175 ? 0.6609 0.5992 0.4948 0.0638 0.0289 -0.0947 176 PHE A O 1377 C CB . PHE A 175 ? 0.5939 0.5783 0.4887 0.1340 0.0712 -0.0829 176 PHE A CB 1378 C CG . PHE A 175 ? 0.5644 0.5654 0.4954 0.1675 0.0822 -0.0749 176 PHE A CG 1379 C CD1 . PHE A 175 ? 0.6481 0.5927 0.5421 0.2003 0.0916 -0.0876 176 PHE A CD1 1380 C CD2 . PHE A 175 ? 0.5283 0.5983 0.5302 0.1668 0.0799 -0.0545 176 PHE A CD2 1381 C CE1 . PHE A 175 ? 0.6970 0.6615 0.6299 0.2363 0.1013 -0.0771 176 PHE A CE1 1382 C CE2 . PHE A 175 ? 0.5429 0.6374 0.5862 0.1976 0.0851 -0.0439 176 PHE A CE2 1383 C CZ . PHE A 175 ? 0.6317 0.6771 0.6433 0.2346 0.0972 -0.0537 176 PHE A CZ 1384 N N . LEU A 176 ? 0.6076 0.6246 0.5303 0.0566 0.0270 -0.0676 177 LEU A N 1385 C CA . LEU A 176 ? 0.5744 0.6134 0.5002 0.0341 0.0202 -0.0627 177 LEU A CA 1386 C C . LEU A 176 ? 0.6110 0.6978 0.5696 0.0380 0.0324 -0.0515 177 LEU A C 1387 O O . LEU A 176 ? 0.6347 0.7468 0.6285 0.0499 0.0391 -0.0446 177 LEU A O 1388 C CB . LEU A 176 ? 0.6452 0.6875 0.5873 0.0149 0.0044 -0.0550 177 LEU A CB 1389 C CG . LEU A 176 ? 0.7410 0.7487 0.6628 -0.0019 -0.0093 -0.0574 177 LEU A CG 1390 C CD1 . LEU A 176 ? 0.8161 0.7742 0.7157 0.0080 -0.0106 -0.0646 177 LEU A CD1 1391 C CD2 . LEU A 176 ? 0.6358 0.6655 0.5827 -0.0150 -0.0147 -0.0433 177 LEU A CD2 1392 N N . SER A 177 ? 0.5998 0.6992 0.5505 0.0266 0.0328 -0.0470 178 SER A N 1393 C CA . SER A 177 ? 0.5594 0.6961 0.5405 0.0254 0.0432 -0.0327 178 SER A CA 1394 C C . SER A 177 ? 0.5763 0.7160 0.5460 0.0112 0.0367 -0.0257 178 SER A C 1395 O O . SER A 177 ? 0.7281 0.8487 0.6608 0.0068 0.0287 -0.0317 178 SER A O 1396 C CB . SER A 177 ? 0.5856 0.7375 0.5644 0.0439 0.0687 -0.0290 178 SER A CB 1397 O OG . SER A 177 ? 0.6808 0.8037 0.5995 0.0520 0.0764 -0.0393 178 SER A OG 1398 N N . SER A 178 ? 0.5191 0.6797 0.5210 0.0037 0.0366 -0.0122 179 SER A N 1399 C CA . SER A 178 ? 0.5369 0.6981 0.5296 -0.0044 0.0332 -0.0014 179 SER A CA 1400 C C . SER A 178 ? 0.5857 0.7471 0.5431 0.0018 0.0479 0.0044 179 SER A C 1401 O O . SER A 178 ? 0.6008 0.7704 0.5544 0.0131 0.0676 0.0043 179 SER A O 1402 C CB . SER A 178 ? 0.5233 0.6938 0.5528 -0.0126 0.0312 0.0116 179 SER A CB 1403 O OG . SER A 178 ? 0.4506 0.6425 0.5111 -0.0134 0.0440 0.0209 179 SER A OG 1404 N N . PRO A 179 ? 0.5049 0.6585 0.4333 -0.0023 0.0391 0.0106 180 PRO A N 1405 C CA . PRO A 179 ? 0.5267 0.6753 0.4069 0.0048 0.0507 0.0169 180 PRO A CA 1406 C C . PRO A 179 ? 0.6155 0.7848 0.5130 0.0090 0.0788 0.0373 180 PRO A C 1407 O O . PRO A 179 ? 0.6665 0.8498 0.6128 -0.0014 0.0792 0.0523 180 PRO A O 1408 C CB . PRO A 179 ? 0.5380 0.6821 0.4006 -0.0018 0.0307 0.0272 180 PRO A CB 1409 C CG . PRO A 179 ? 0.5020 0.6480 0.3959 -0.0095 0.0094 0.0187 180 PRO A CG 1410 C CD . PRO A 179 ? 0.4447 0.5961 0.3818 -0.0099 0.0184 0.0136 180 PRO A CD 1411 N N . GLU A 180 ? 0.6777 0.8467 0.5345 0.0239 0.1023 0.0376 181 GLU A N 1412 C CA . GLU A 180 ? 0.6146 0.8123 0.4882 0.0299 0.1365 0.0618 181 GLU A CA 1413 C C . GLU A 180 ? 0.5526 0.7862 0.5018 0.0285 0.1494 0.0673 181 GLU A C 1414 O O . GLU A 180 ? 0.5955 0.8644 0.5797 0.0278 0.1758 0.0927 181 GLU A O 1415 C CB . GLU A 180 ? 0.6668 0.8682 0.5457 0.0162 0.1363 0.0919 181 GLU A CB 1416 C CG . GLU A 180 ? 0.8174 1.0076 0.6221 0.0279 0.1526 0.1061 181 GLU A CG 1417 C CD . GLU A 180 ? 0.8980 1.0531 0.6230 0.0394 0.1331 0.0784 181 GLU A CD 1418 O OE1 . GLU A 180 ? 0.9469 1.0906 0.6230 0.0589 0.1512 0.0618 181 GLU A OE1 1419 O OE2 . GLU A 180 ? 0.9477 1.0859 0.6601 0.0294 0.0987 0.0735 181 GLU A OE2 1420 N N . TYR A 181 ? 0.6212 0.8492 0.5972 0.0274 0.1302 0.0471 182 TYR A N 1421 C CA . TYR A 181 ? 0.6053 0.8678 0.6498 0.0276 0.1353 0.0518 182 TYR A CA 1422 C C . TYR A 181 ? 0.7214 1.0152 0.7708 0.0524 0.1723 0.0595 182 TYR A C 1423 O O . TYR A 181 ? 0.8691 1.1373 0.8561 0.0762 0.1861 0.0434 182 TYR A O 1424 C CB . TYR A 181 ? 0.5554 0.7992 0.6083 0.0281 0.1096 0.0286 182 TYR A CB 1425 C CG . TYR A 181 ? 0.5667 0.8437 0.6869 0.0269 0.1050 0.0342 182 TYR A CG 1426 C CD1 . TYR A 181 ? 0.5157 0.8002 0.6796 0.0041 0.0824 0.0416 182 TYR A CD1 1427 C CD2 . TYR A 181 ? 0.5513 0.8492 0.6884 0.0504 0.1206 0.0317 182 TYR A CD2 1428 C CE1 . TYR A 181 ? 0.5562 0.8703 0.7778 0.0004 0.0706 0.0463 182 TYR A CE1 1429 C CE2 . TYR A 181 ? 0.4820 0.8170 0.6854 0.0499 0.1115 0.0400 182 TYR A CE2 1430 C CZ . TYR A 181 ? 0.5380 0.8823 0.7832 0.0227 0.0840 0.0472 182 TYR A CZ 1431 O OH . TYR A 181 ? 0.5651 0.9453 0.8725 0.0198 0.0676 0.0548 182 TYR A OH 1432 N N . PRO A 182 ? 0.6774 1.0262 0.8018 0.0478 0.1880 0.0842 183 PRO A N 1433 C CA . PRO A 182 ? 0.5615 0.9352 0.7606 0.0171 0.1668 0.1012 183 PRO A CA 1434 C C . PRO A 182 ? 0.5950 0.9741 0.8059 -0.0071 0.1736 0.1302 183 PRO A C 1435 O O . PRO A 182 ? 0.6304 1.0430 0.9135 -0.0304 0.1696 0.1535 183 PRO A O 1436 C CB . PRO A 182 ? 0.4790 0.9148 0.7553 0.0262 0.1803 0.1151 183 PRO A CB 1437 C CG . PRO A 182 ? 0.5514 1.0107 0.8021 0.0584 0.2280 0.1246 183 PRO A CG 1438 C CD . PRO A 182 ? 0.6645 1.0567 0.8078 0.0765 0.2281 0.0957 183 PRO A CD 1439 N N . GLN A 183 ? 0.5973 0.9416 0.7391 -0.0032 0.1804 0.1306 184 GLN A N 1440 C CA . GLN A 183 ? 0.5288 0.8651 0.6725 -0.0245 0.1826 0.1590 184 GLN A CA 1441 C C . GLN A 183 ? 0.5004 0.7871 0.6288 -0.0400 0.1434 0.1447 184 GLN A C 1442 O O . GLN A 183 ? 0.4715 0.7350 0.5760 -0.0313 0.1219 0.1148 184 GLN A O 1443 C CB . GLN A 183 ? 0.5192 0.8486 0.5927 -0.0074 0.2134 0.1731 184 GLN A CB 1444 C CG . GLN A 183 ? 0.5135 0.8841 0.5815 0.0193 0.2581 0.1810 184 GLN A CG 1445 C CD . GLN A 183 ? 0.5625 0.9925 0.7220 0.0060 0.2795 0.2137 184 GLN A CD 1446 O OE1 . GLN A 183 ? 0.6043 1.0388 0.8086 -0.0252 0.2715 0.2412 184 GLN A OE1 1447 N NE2 . GLN A 183 ? 0.5273 0.9895 0.7123 0.0284 0.2977 0.2054 184 GLN A NE2 1448 N N . PRO A 184 ? 0.4338 0.7030 0.5777 -0.0615 0.1360 0.1678 185 PRO A N 1449 C CA . PRO A 184 ? 0.4108 0.6299 0.5378 -0.0691 0.1036 0.1561 185 PRO A CA 1450 C C . PRO A 184 ? 0.4485 0.6424 0.5109 -0.0489 0.0932 0.1351 185 PRO A C 1451 O O . PRO A 184 ? 0.5248 0.7181 0.5380 -0.0372 0.1066 0.1440 185 PRO A O 1452 C CB . PRO A 184 ? 0.4535 0.6537 0.5884 -0.0869 0.1087 0.1911 185 PRO A CB 1453 C CG . PRO A 184 ? 0.5209 0.7672 0.7163 -0.1043 0.1312 0.2183 185 PRO A CG 1454 C CD . PRO A 184 ? 0.4928 0.7881 0.6810 -0.0808 0.1577 0.2084 185 PRO A CD 1455 N N . TYR A 185 ? 0.4574 0.6326 0.5200 -0.0460 0.0686 0.1094 186 TYR A N 1456 C CA . TYR A 185 ? 0.4468 0.6076 0.4650 -0.0316 0.0563 0.0930 186 TYR A CA 1457 C C . TYR A 185 ? 0.4024 0.5396 0.3978 -0.0294 0.0476 0.1099 186 TYR A C 1458 O O . TYR A 185 ? 0.4634 0.5787 0.4796 -0.0379 0.0434 0.1247 186 TYR A O 1459 C CB . TYR A 185 ? 0.4889 0.6427 0.5201 -0.0292 0.0378 0.0673 186 TYR A CB 1460 C CG . TYR A 185 ? 0.5338 0.6667 0.5951 -0.0379 0.0240 0.0655 186 TYR A CG 1461 C CD1 . TYR A 185 ? 0.5405 0.6424 0.5925 -0.0340 0.0131 0.0702 186 TYR A CD1 1462 C CD2 . TYR A 185 ? 0.5135 0.6538 0.6079 -0.0472 0.0194 0.0578 186 TYR A CD2 1463 C CE1 . TYR A 185 ? 0.5174 0.5863 0.5829 -0.0385 0.0000 0.0638 186 TYR A CE1 1464 C CE2 . TYR A 185 ? 0.4204 0.5317 0.5295 -0.0560 0.0013 0.0521 186 TYR A CE2 1465 C CZ . TYR A 185 ? 0.4853 0.5560 0.5751 -0.0511 -0.0074 0.0533 186 TYR A CZ 1466 O OH . TYR A 185 ? 0.5237 0.5522 0.6150 -0.0566 -0.0256 0.0433 186 TYR A OH 1467 N N . PRO A 186 ? 0.4181 0.5561 0.3699 -0.0180 0.0416 0.1081 187 PRO A N 1468 C CA . PRO A 186 ? 0.5582 0.6808 0.4868 -0.0117 0.0310 0.1278 187 PRO A CA 1469 C C . PRO A 186 ? 0.5860 0.6906 0.5404 -0.0062 0.0132 0.1255 187 PRO A C 1470 O O . PRO A 186 ? 0.5245 0.6305 0.5033 -0.0060 0.0074 0.1045 187 PRO A O 1471 C CB . PRO A 186 ? 0.5684 0.7022 0.4494 -0.0031 0.0205 0.1192 187 PRO A CB 1472 C CG . PRO A 186 ? 0.5486 0.6934 0.4375 -0.0054 0.0193 0.0896 187 PRO A CG 1473 C CD . PRO A 186 ? 0.4152 0.5653 0.3357 -0.0112 0.0406 0.0877 187 PRO A CD 1474 N N . LYS A 187 ? 0.7282 0.8136 0.6721 0.0020 0.0064 0.1484 188 LYS A N 1475 C CA . LYS A 187 ? 0.6713 0.7331 0.6353 0.0148 -0.0059 0.1490 188 LYS A CA 1476 C C . LYS A 187 ? 0.6645 0.7531 0.6278 0.0325 -0.0221 0.1442 188 LYS A C 1477 O O . LYS A 187 ? 0.7326 0.8481 0.6725 0.0322 -0.0309 0.1483 188 LYS A O 1478 C CB . LYS A 187 ? 0.7314 0.7525 0.6884 0.0178 -0.0050 0.1793 188 LYS A CB 1479 C CG . LYS A 187 ? 0.7933 0.7953 0.7579 -0.0057 0.0109 0.1937 188 LYS A CG 1480 C CD . LYS A 187 ? 0.9293 0.9261 0.8626 -0.0072 0.0204 0.2308 188 LYS A CD 1481 C CE . LYS A 187 ? 1.0757 1.0347 0.9943 0.0121 0.0062 0.2540 188 LYS A CE 1482 N NZ . LYS A 187 ? 1.1460 1.0970 1.0258 0.0122 0.0140 0.2941 188 LYS A NZ 1483 N N . LEU A 188 ? 0.5642 0.6452 0.5525 0.0479 -0.0263 0.1360 189 LEU A N 1484 C CA . LEU A 188 ? 0.4890 0.6051 0.4939 0.0664 -0.0380 0.1370 189 LEU A CA 1485 C C . LEU A 188 ? 0.4501 0.6126 0.4548 0.0527 -0.0465 0.1250 189 LEU A C 1486 O O . LEU A 188 ? 0.4218 0.6177 0.4282 0.0564 -0.0643 0.1360 189 LEU A O 1487 C CB . LEU A 188 ? 0.5261 0.6414 0.5251 0.0857 -0.0503 0.1666 189 LEU A CB 1488 C CG . LEU A 188 ? 0.6229 0.6841 0.6241 0.1060 -0.0447 0.1799 189 LEU A CG 1489 C CD1 . LEU A 188 ? 0.5783 0.6424 0.5746 0.1293 -0.0588 0.2125 189 LEU A CD1 1490 C CD2 . LEU A 188 ? 0.5690 0.6176 0.5935 0.1252 -0.0360 0.1606 189 LEU A CD2 1491 N N . SER A 189 ? 0.5158 0.6769 0.5186 0.0364 -0.0371 0.1030 190 SER A N 1492 C CA . SER A 189 ? 0.4912 0.6804 0.4886 0.0225 -0.0449 0.0896 190 SER A CA 1493 C C . SER A 189 ? 0.3987 0.6032 0.4260 0.0222 -0.0409 0.0747 190 SER A C 1494 O O . SER A 189 ? 0.4364 0.6219 0.4738 0.0292 -0.0280 0.0668 190 SER A O 1495 C CB . SER A 189 ? 0.5074 0.6809 0.4722 0.0079 -0.0355 0.0792 190 SER A CB 1496 O OG . SER A 189 ? 0.5833 0.7450 0.5151 0.0093 -0.0339 0.0967 190 SER A OG 1497 N N . SER A 190 ? 0.4645 0.7003 0.5020 0.0125 -0.0540 0.0722 191 SER A N 1498 C CA . SER A 190 ? 0.3496 0.6034 0.4152 0.0090 -0.0487 0.0641 191 SER A CA 1499 C C . SER A 190 ? 0.4472 0.6969 0.4967 -0.0139 -0.0566 0.0495 191 SER A C 1500 O O . SER A 190 ? 0.4520 0.7195 0.5016 -0.0282 -0.0776 0.0527 191 SER A O 1501 C CB . SER A 190 ? 0.4062 0.7073 0.5162 0.0192 -0.0554 0.0823 191 SER A CB 1502 O OG . SER A 190 ? 0.4694 0.7658 0.5915 0.0478 -0.0440 0.0934 191 SER A OG 1503 N N . CYS A 191 ? 0.4780 0.7004 0.5128 -0.0168 -0.0429 0.0337 192 CYS A N 1504 C CA . CYS A 191 ? 0.5276 0.7338 0.5419 -0.0324 -0.0473 0.0189 192 CYS A CA 1505 C C . CYS A 191 ? 0.5773 0.7911 0.6148 -0.0398 -0.0448 0.0175 192 CYS A C 1506 O O . CYS A 191 ? 0.6608 0.8785 0.7146 -0.0287 -0.0300 0.0200 192 CYS A O 1507 C CB . CYS A 191 ? 0.5276 0.7042 0.5159 -0.0277 -0.0333 0.0068 192 CYS A CB 1508 S SG . CYS A 191 ? 0.9001 1.0710 0.8686 -0.0192 -0.0266 0.0166 192 CYS A SG 1509 N N . ALA A 192 ? 0.5931 0.8029 0.6259 -0.0593 -0.0600 0.0139 193 ALA A N 1510 C CA . ALA A 192 ? 0.6066 0.8201 0.6612 -0.0712 -0.0579 0.0175 193 ALA A CA 1511 C C . ALA A 192 ? 0.6092 0.7767 0.6308 -0.0847 -0.0652 0.0013 193 ALA A C 1512 O O . ALA A 192 ? 0.7514 0.8993 0.7491 -0.1000 -0.0862 -0.0069 193 ALA A O 1513 C CB . ALA A 192 ? 0.6903 0.9503 0.7898 -0.0860 -0.0714 0.0374 193 ALA A CB 1514 N N . TYR A 193 ? 0.5760 0.7211 0.5910 -0.0767 -0.0498 -0.0038 194 TYR A N 1515 C CA . TYR A 193 ? 0.6380 0.7345 0.6230 -0.0823 -0.0537 -0.0173 194 TYR A CA 1516 C C . TYR A 193 ? 0.6306 0.7204 0.6338 -0.0974 -0.0539 -0.0053 194 TYR A C 1517 O O . TYR A 193 ? 0.5745 0.6903 0.6014 -0.0906 -0.0388 0.0094 194 TYR A O 1518 C CB . TYR A 193 ? 0.6767 0.7535 0.6422 -0.0590 -0.0378 -0.0288 194 TYR A CB 1519 C CG . TYR A 193 ? 0.7380 0.8327 0.6995 -0.0451 -0.0306 -0.0315 194 TYR A CG 1520 C CD1 . TYR A 193 ? 0.7085 0.8313 0.6939 -0.0360 -0.0219 -0.0224 194 TYR A CD1 1521 C CD2 . TYR A 193 ? 0.7785 0.8557 0.7070 -0.0405 -0.0314 -0.0424 194 TYR A CD2 1522 C CE1 . TYR A 193 ? 0.7246 0.8572 0.7086 -0.0275 -0.0164 -0.0213 194 TYR A CE1 1523 C CE2 . TYR A 193 ? 0.7755 0.8703 0.7017 -0.0298 -0.0216 -0.0389 194 TYR A CE2 1524 C CZ . TYR A 193 ? 0.7619 0.8841 0.7198 -0.0257 -0.0152 -0.0270 194 TYR A CZ 1525 O OH . TYR A 193 ? 0.7963 0.9297 0.7542 -0.0191 -0.0067 -0.0201 194 TYR A OH 1526 N N . ASN A 194 ? 0.6889 0.7378 0.6751 -0.1178 -0.0705 -0.0109 195 ASN A N 1527 C CA . ASN A 194 ? 0.6333 0.6703 0.6381 -0.1378 -0.0719 0.0052 195 ASN A CA 1528 C C . ASN A 194 ? 0.6861 0.6495 0.6514 -0.1365 -0.0753 -0.0072 195 ASN A C 1529 O O . ASN A 194 ? 0.8039 0.7158 0.7359 -0.1478 -0.0948 -0.0246 195 ASN A O 1530 C CB . ASN A 194 ? 0.7084 0.7691 0.7471 -0.1738 -0.0945 0.0195 195 ASN A CB 1531 C CG . ASN A 194 ? 0.8104 0.9486 0.8952 -0.1702 -0.0909 0.0359 195 ASN A CG 1532 O OD1 . ASN A 194 ? 0.7902 0.9764 0.9163 -0.1652 -0.0709 0.0593 195 ASN A OD1 1533 N ND2 . ASN A 194 ? 0.9058 1.0538 0.9787 -0.1689 -0.1086 0.0247 195 ASN A ND2 1534 N N . ILE A 195 ? 0.6264 0.5802 0.5899 -0.1199 -0.0578 0.0012 196 ILE A N 1535 C CA . ILE A 195 ? 0.6488 0.5338 0.5800 -0.1144 -0.0602 -0.0047 196 ILE A CA 1536 C C . ILE A 195 ? 0.7107 0.5748 0.6573 -0.1438 -0.0651 0.0198 196 ILE A C 1537 O O . ILE A 195 ? 0.6207 0.5122 0.5863 -0.1414 -0.0487 0.0443 196 ILE A O 1538 C CB . ILE A 195 ? 0.5703 0.4553 0.4905 -0.0789 -0.0433 -0.0062 196 ILE A CB 1539 C CG1 . ILE A 195 ? 0.5172 0.4395 0.4394 -0.0563 -0.0362 -0.0216 196 ILE A CG1 1540 C CG2 . ILE A 195 ? 0.5778 0.3916 0.4647 -0.0653 -0.0471 -0.0140 196 ILE A CG2 1541 C CD1 . ILE A 195 ? 0.4619 0.3918 0.3835 -0.0265 -0.0260 -0.0222 196 ILE A CD1 1542 N N . ARG A 196 ? 0.7587 0.5706 0.6928 -0.1726 -0.0882 0.0136 197 ARG A N 1543 C CA . ARG A 196 ? 0.8079 0.5971 0.7634 -0.2098 -0.0969 0.0398 197 ARG A CA 1544 C C . ARG A 196 ? 0.9139 0.5997 0.8239 -0.2091 -0.1066 0.0320 197 ARG A C 1545 O O . ARG A 196 ? 0.9963 0.6140 0.8638 -0.2105 -0.1272 0.0031 197 ARG A O 1546 C CB . ARG A 196 ? 0.8786 0.6915 0.8678 -0.2540 -0.1234 0.0446 197 ARG A CB 1547 C CG . ARG A 196 ? 0.8476 0.7625 0.8867 -0.2522 -0.1152 0.0559 197 ARG A CG 1548 C CD . ARG A 196 ? 0.8563 0.8370 0.9440 -0.2495 -0.0850 0.0932 197 ARG A CD 1549 N NE . ARG A 196 ? 0.8317 0.9045 0.9684 -0.2448 -0.0764 0.1051 197 ARG A NE 1550 C CZ . ARG A 196 ? 0.7977 0.9071 0.9258 -0.2067 -0.0561 0.0958 197 ARG A CZ 1551 N NH1 . ARG A 196 ? 0.7917 0.8620 0.8709 -0.1744 -0.0445 0.0759 197 ARG A NH1 1552 N NH2 . ARG A 196 ? 0.7162 0.9003 0.8877 -0.2011 -0.0492 0.1078 197 ARG A NH2 1553 N N . LEU A 197 ? 0.8816 0.5502 0.7936 -0.2038 -0.0914 0.0581 198 LEU A N 1554 C CA . LEU A 197 ? 0.9093 0.4758 0.7799 -0.2002 -0.0996 0.0569 198 LEU A CA 1555 C C . LEU A 197 ? 0.9630 0.5037 0.8575 -0.2433 -0.1039 0.0956 198 LEU A C 1556 O O . LEU A 197 ? 0.9847 0.6003 0.9305 -0.2673 -0.0918 0.1275 198 LEU A O 1557 C CB . LEU A 197 ? 0.8999 0.4571 0.7440 -0.1493 -0.0803 0.0556 198 LEU A CB 1558 C CG . LEU A 197 ? 0.9053 0.4948 0.7365 -0.1078 -0.0732 0.0240 198 LEU A CG 1559 C CD1 . LEU A 197 ? 0.8702 0.4527 0.6864 -0.0631 -0.0605 0.0280 198 LEU A CD1 1560 C CD2 . LEU A 197 ? 0.9230 0.4562 0.7183 -0.1057 -0.0890 -0.0120 198 LEU A CD2 1561 N N . GLU A 198 ? 1.0370 0.4700 0.8948 -0.2516 -0.1189 0.0949 199 GLU A N 1562 C CA . GLU A 198 ? 1.1420 0.5365 1.0208 -0.2968 -0.1246 0.1348 199 GLU A CA 1563 C C . GLU A 198 ? 1.1837 0.6180 1.0758 -0.2817 -0.0922 0.1788 199 GLU A C 1564 O O . GLU A 198 ? 1.1801 0.6398 1.0489 -0.2324 -0.0734 0.1724 199 GLU A O 1565 C CB . GLU A 198 ? 1.3049 0.5566 1.1307 -0.3050 -0.1499 0.1209 199 GLU A CB 1566 C CG . GLU A 198 ? 1.4091 0.6257 1.2271 -0.3343 -0.1838 0.0864 199 GLU A CG 1567 C CD . GLU A 198 ? 1.6505 0.7474 1.4138 -0.3230 -0.1993 0.0640 199 GLU A CD 1568 O OE1 . GLU A 198 ? 1.7180 0.7543 1.4194 -0.2774 -0.1999 0.0255 199 GLU A OE1 1569 O OE2 . GLU A 198 ? 1.7664 0.8321 1.5500 -0.3575 -0.2082 0.0857 199 GLU A OE2 1570 N N . GLU A 199 ? 1.2263 0.6667 1.1551 -0.3259 -0.0871 0.2249 200 GLU A N 1571 C CA . GLU A 199 ? 1.2359 0.7095 1.1685 -0.3144 -0.0540 0.2716 200 GLU A CA 1572 C C . GLU A 199 ? 1.2532 0.6326 1.1222 -0.2782 -0.0534 0.2750 200 GLU A C 1573 O O . GLU A 199 ? 1.3957 0.6651 1.2368 -0.2910 -0.0759 0.2698 200 GLU A O 1574 C CB . GLU A 199 ? 1.3700 0.8745 1.3590 -0.3657 -0.0439 0.3190 200 GLU A CB 1575 C CG . GLU A 199 ? 1.3777 0.9662 1.3848 -0.3538 0.0000 0.3649 200 GLU A CG 1576 C CD . GLU A 199 ? 1.3705 1.0824 1.4292 -0.3532 0.0171 0.3650 200 GLU A CD 1577 O OE1 . GLU A 199 ? 1.3757 1.1293 1.4898 -0.3829 -0.0005 0.3503 200 GLU A OE1 1578 O OE2 . GLU A 199 ? 1.3539 1.1216 1.3928 -0.3140 0.0474 0.3721 200 GLU A OE2 1579 N N . GLY A 200 ? 1.2014 0.6203 1.0453 -0.2318 -0.0305 0.2831 201 GLY A N 1580 C CA . GLY A 200 ? 1.2578 0.6024 1.0463 -0.1925 -0.0319 0.2903 201 GLY A CA 1581 C C . GLY A 200 ? 1.2337 0.5958 0.9961 -0.1352 -0.0367 0.2498 201 GLY A C 1582 O O . GLY A 200 ? 1.3313 0.6554 1.0560 -0.0949 -0.0384 0.2559 201 GLY A O 1583 N N . PHE A 201 ? 1.1294 0.5528 0.9164 -0.1324 -0.0397 0.2122 202 PHE A N 1584 C CA . PHE A 201 ? 1.1078 0.5582 0.8820 -0.0845 -0.0427 0.1763 202 PHE A CA 1585 C C . PHE A 201 ? 1.0980 0.6508 0.8888 -0.0704 -0.0271 0.1758 202 PHE A C 1586 O O . PHE A 201 ? 1.1140 0.7250 0.9326 -0.0971 -0.0140 0.1888 202 PHE A O 1587 C CB . PHE A 201 ? 1.0441 0.4742 0.8223 -0.0863 -0.0576 0.1323 202 PHE A CB 1588 C CG . PHE A 201 ? 1.1295 0.4440 0.8734 -0.0845 -0.0744 0.1212 202 PHE A CG 1589 C CD1 . PHE A 201 ? 1.1353 0.4032 0.8483 -0.0335 -0.0765 0.1046 202 PHE A CD1 1590 C CD2 . PHE A 201 ? 1.2489 0.4996 0.9928 -0.1330 -0.0895 0.1276 202 PHE A CD2 1591 C CE1 . PHE A 201 ? 1.2429 0.3952 0.9175 -0.0249 -0.0894 0.0922 202 PHE A CE1 1592 C CE2 . PHE A 201 ? 1.3455 0.4736 1.0477 -0.1310 -0.1076 0.1137 202 PHE A CE2 1593 C CZ . PHE A 201 ? 1.3558 0.4307 1.0190 -0.0737 -0.1057 0.0947 202 PHE A CZ 1594 N N . SER A 202 ? 1.0841 0.6569 0.8596 -0.0275 -0.0297 0.1612 203 SER A N 1595 C CA . SER A 202 ? 1.0071 0.6618 0.7912 -0.0128 -0.0214 0.1540 203 SER A CA 1596 C C . SER A 202 ? 0.9838 0.6690 0.7858 0.0078 -0.0302 0.1155 203 SER A C 1597 O O . SER A 202 ? 1.0315 0.6849 0.8272 0.0345 -0.0404 0.1024 203 SER A O 1598 C CB . SER A 202 ? 1.0602 0.7173 0.8088 0.0142 -0.0205 0.1771 203 SER A CB 1599 O OG . SER A 202 ? 1.2138 0.8499 0.9416 -0.0044 -0.0061 0.2172 203 SER A OG 1600 N N . ILE A 203 ? 0.9006 0.6485 0.7266 -0.0027 -0.0236 0.1009 204 ILE A N 1601 C CA . ILE A 203 ? 0.7624 0.5428 0.6078 0.0107 -0.0284 0.0694 204 ILE A CA 1602 C C . ILE A 203 ? 0.7273 0.5527 0.5737 0.0363 -0.0321 0.0648 204 ILE A C 1603 O O . ILE A 203 ? 0.7091 0.5605 0.5430 0.0352 -0.0277 0.0766 204 ILE A O 1604 C CB . ILE A 203 ? 0.6399 0.4581 0.5105 -0.0154 -0.0230 0.0575 204 ILE A CB 1605 C CG1 . ILE A 203 ? 0.7438 0.5224 0.6174 -0.0485 -0.0265 0.0647 204 ILE A CG1 1606 C CG2 . ILE A 203 ? 0.5718 0.4144 0.4560 -0.0025 -0.0263 0.0288 204 ILE A CG2 1607 C CD1 . ILE A 203 ? 0.7470 0.5663 0.6488 -0.0749 -0.0271 0.0566 204 ILE A CD1 1608 N N . THR A 204 ? 0.7211 0.5546 0.5816 0.0594 -0.0403 0.0481 205 THR A N 1609 C CA . THR A 204 ? 0.7049 0.5840 0.5775 0.0776 -0.0499 0.0435 205 THR A CA 1610 C C . THR A 204 ? 0.7193 0.6408 0.6263 0.0761 -0.0468 0.0216 205 THR A C 1611 O O . THR A 204 ? 0.7631 0.6737 0.6817 0.0808 -0.0404 0.0098 205 THR A O 1612 C CB . THR A 204 ? 0.6920 0.5570 0.5631 0.1082 -0.0649 0.0528 205 THR A CB 1613 O OG1 . THR A 204 ? 0.7688 0.5924 0.6008 0.1104 -0.0687 0.0775 205 THR A OG1 1614 C CG2 . THR A 204 ? 0.6924 0.6107 0.5860 0.1208 -0.0817 0.0483 205 THR A CG2 1615 N N . LEU A 205 ? 0.6626 0.6257 0.5793 0.0705 -0.0507 0.0168 206 LEU A N 1616 C CA . LEU A 205 ? 0.5521 0.5529 0.5007 0.0657 -0.0472 0.0012 206 LEU A CA 1617 C C . LEU A 205 ? 0.5693 0.6062 0.5481 0.0790 -0.0624 -0.0000 206 LEU A C 1618 O O . LEU A 205 ? 0.7298 0.7721 0.6974 0.0818 -0.0806 0.0054 206 LEU A O 1619 C CB . LEU A 205 ? 0.4462 0.4626 0.3888 0.0465 -0.0404 -0.0026 206 LEU A CB 1620 C CG . LEU A 205 ? 0.4638 0.4610 0.3901 0.0301 -0.0277 0.0043 206 LEU A CG 1621 C CD1 . LEU A 205 ? 0.5016 0.5244 0.4304 0.0191 -0.0199 0.0031 206 LEU A CD1 1622 C CD2 . LEU A 205 ? 0.4491 0.4265 0.3819 0.0230 -0.0233 -0.0025 206 LEU A CD2 1623 N N . ASP A 206 ? 0.5058 0.5684 0.5219 0.0864 -0.0556 -0.0058 207 ASP A N 1624 C CA . ASP A 206 ? 0.4742 0.5836 0.5363 0.0946 -0.0687 -0.0022 207 ASP A CA 1625 C C . ASP A 206 ? 0.5557 0.7021 0.6513 0.0807 -0.0588 -0.0082 207 ASP A C 1626 O O . ASP A 206 ? 0.6440 0.7955 0.7487 0.0857 -0.0368 -0.0119 207 ASP A O 1627 C CB . ASP A 206 ? 0.5755 0.6936 0.6648 0.1240 -0.0667 0.0058 207 ASP A CB 1628 C CG . ASP A 206 ? 0.6674 0.7501 0.7283 0.1405 -0.0818 0.0170 207 ASP A CG 1629 O OD1 . ASP A 206 ? 0.6202 0.7230 0.6904 0.1446 -0.1086 0.0270 207 ASP A OD1 1630 O OD2 . ASP A 206 ? 0.7641 0.7949 0.7908 0.1483 -0.0695 0.0169 207 ASP A OD2 1631 N N . PHE A 207 ? 0.5862 0.7514 0.6934 0.0639 -0.0756 -0.0089 208 PHE A N 1632 C CA . PHE A 207 ? 0.5362 0.7330 0.6790 0.0489 -0.0689 -0.0096 208 PHE A CA 1633 C C . PHE A 207 ? 0.4792 0.7296 0.6876 0.0584 -0.0677 0.0028 208 PHE A C 1634 O O . PHE A 207 ? 0.4657 0.7444 0.7095 0.0577 -0.0939 0.0112 208 PHE A O 1635 C CB . PHE A 207 ? 0.6121 0.8007 0.7448 0.0282 -0.0900 -0.0146 208 PHE A CB 1636 C CG . PHE A 207 ? 0.6285 0.7760 0.7062 0.0230 -0.0823 -0.0241 208 PHE A CG 1637 C CD1 . PHE A 207 ? 0.5932 0.7099 0.6241 0.0304 -0.0901 -0.0261 208 PHE A CD1 1638 C CD2 . PHE A 207 ? 0.5763 0.7207 0.6516 0.0130 -0.0655 -0.0272 208 PHE A CD2 1639 C CE1 . PHE A 207 ? 0.5440 0.6344 0.5341 0.0281 -0.0778 -0.0303 208 PHE A CE1 1640 C CE2 . PHE A 207 ? 0.5779 0.6955 0.6142 0.0116 -0.0579 -0.0323 208 PHE A CE2 1641 C CZ . PHE A 207 ? 0.5588 0.6530 0.5562 0.0193 -0.0622 -0.0335 208 PHE A CZ 1642 N N . VAL A 208 ? 0.5072 0.7741 0.7312 0.0685 -0.0375 0.0052 209 VAL A N 1643 C CA . VAL A 208 ? 0.4480 0.7717 0.7355 0.0853 -0.0258 0.0202 209 VAL A CA 1644 C C . VAL A 208 ? 0.3866 0.7557 0.7199 0.0677 -0.0111 0.0318 209 VAL A C 1645 O O . VAL A 208 ? 0.3986 0.7453 0.7037 0.0475 -0.0051 0.0261 209 VAL A O 1646 C CB . VAL A 208 ? 0.4219 0.7290 0.6888 0.1198 0.0036 0.0165 209 VAL A CB 1647 C CG1 . VAL A 208 ? 0.3389 0.5992 0.5684 0.1369 -0.0116 0.0109 209 VAL A CG1 1648 C CG2 . VAL A 208 ? 0.4865 0.7581 0.7019 0.1153 0.0297 0.0035 209 VAL A CG2 1649 N N . GLU A 209 ? 0.4018 0.8383 0.8105 0.0764 -0.0051 0.0519 210 GLU A N 1650 C CA . GLU A 209 ? 0.4533 0.9438 0.9177 0.0617 0.0153 0.0713 210 GLU A CA 1651 C C . GLU A 209 ? 0.4250 0.9099 0.9028 0.0180 -0.0112 0.0745 210 GLU A C 1652 O O . GLU A 209 ? 0.4067 0.9302 0.9473 -0.0026 -0.0411 0.0878 210 GLU A O 1653 C CB . GLU A 209 ? 0.4532 0.9262 0.8731 0.0780 0.0607 0.0672 210 GLU A CB 1654 C CG . GLU A 209 ? 0.5809 1.0464 0.9782 0.1234 0.0880 0.0607 210 GLU A CG 1655 C CD . GLU A 209 ? 0.6716 1.1174 1.0174 0.1405 0.1307 0.0551 210 GLU A CD 1656 O OE1 . GLU A 209 ? 0.7514 1.2015 1.0884 0.1175 0.1408 0.0621 210 GLU A OE1 1657 O OE2 . GLU A 209 ? 0.6573 1.0765 0.9647 0.1782 0.1524 0.0434 210 GLU A OE2 1658 N N . SER A 210 ? 0.3992 0.8335 0.8186 0.0043 -0.0031 0.0627 211 SER A N 1659 C CA . SER A 210 ? 0.3207 0.7403 0.7483 -0.0321 -0.0229 0.0664 211 SER A CA 1660 C C . SER A 210 ? 0.2945 0.6409 0.6441 -0.0382 -0.0350 0.0435 211 SER A C 1661 O O . SER A 210 ? 0.3975 0.7134 0.6919 -0.0205 -0.0175 0.0308 211 SER A O 1662 C CB . SER A 210 ? 0.3528 0.8053 0.8143 -0.0440 0.0080 0.0900 211 SER A CB 1663 O OG . SER A 210 ? 0.5329 0.9674 1.0099 -0.0807 -0.0133 0.0974 211 SER A OG 1664 N N . PHE A 211 ? 0.2947 0.6129 0.6419 -0.0631 -0.0658 0.0388 212 PHE A N 1665 C CA . PHE A 211 ? 0.3314 0.5847 0.6109 -0.0650 -0.0739 0.0198 212 PHE A CA 1666 C C . PHE A 211 ? 0.3501 0.5768 0.6374 -0.0921 -0.0873 0.0248 212 PHE A C 1667 O O . PHE A 211 ? 0.3681 0.5891 0.6813 -0.1136 -0.1199 0.0250 212 PHE A O 1668 C CB . PHE A 211 ? 0.3147 0.5364 0.5538 -0.0557 -0.1003 0.0009 212 PHE A CB 1669 C CG . PHE A 211 ? 0.3772 0.5425 0.5478 -0.0489 -0.0984 -0.0159 212 PHE A CG 1670 C CD1 . PHE A 211 ? 0.3974 0.5176 0.5425 -0.0610 -0.1182 -0.0256 212 PHE A CD1 1671 C CD2 . PHE A 211 ? 0.3872 0.5443 0.5213 -0.0299 -0.0770 -0.0211 212 PHE A CD2 1672 C CE1 . PHE A 211 ? 0.4270 0.5022 0.5137 -0.0479 -0.1110 -0.0388 212 PHE A CE1 1673 C CE2 . PHE A 211 ? 0.3906 0.5102 0.4756 -0.0233 -0.0728 -0.0312 212 PHE A CE2 1674 C CZ . PHE A 211 ? 0.4549 0.5373 0.5174 -0.0292 -0.0871 -0.0393 212 PHE A CZ 1675 N N . ASP A 212 ? 0.4254 0.6309 0.6881 -0.0915 -0.0657 0.0291 213 ASP A N 1676 C CA . ASP A 212 ? 0.4517 0.6218 0.7169 -0.1138 -0.0756 0.0363 213 ASP A CA 1677 C C . ASP A 212 ? 0.4918 0.6154 0.6990 -0.0995 -0.0632 0.0284 213 ASP A C 1678 O O . ASP A 212 ? 0.5443 0.6756 0.7495 -0.0974 -0.0401 0.0442 213 ASP A O 1679 C CB . ASP A 212 ? 0.4212 0.6344 0.7474 -0.1338 -0.0592 0.0678 213 ASP A CB 1680 C CG . ASP A 212 ? 0.5582 0.7282 0.8922 -0.1621 -0.0729 0.0796 213 ASP A CG 1681 O OD1 . ASP A 212 ? 0.7109 0.8188 1.0130 -0.1691 -0.1038 0.0600 213 ASP A OD1 1682 O OD2 . ASP A 212 ? 0.5980 0.7908 0.9651 -0.1759 -0.0517 0.1092 213 ASP A OD2 1683 N N . VAL A 213 ? 0.5093 0.5886 0.6691 -0.0872 -0.0779 0.0060 214 VAL A N 1684 C CA . VAL A 213 ? 0.5140 0.5549 0.6282 -0.0708 -0.0679 0.0002 214 VAL A CA 1685 C C . VAL A 213 ? 0.5180 0.4956 0.6158 -0.0802 -0.0875 -0.0048 214 VAL A C 1686 O O . VAL A 213 ? 0.5661 0.5141 0.6583 -0.0914 -0.1149 -0.0186 214 VAL A O 1687 C CB . VAL A 213 ? 0.5235 0.5608 0.5977 -0.0467 -0.0637 -0.0173 214 VAL A CB 1688 C CG1 . VAL A 213 ? 0.4688 0.4797 0.5099 -0.0284 -0.0525 -0.0189 214 VAL A CG1 1689 C CG2 . VAL A 213 ? 0.5192 0.6045 0.6060 -0.0401 -0.0481 -0.0133 214 VAL A CG2 1690 N N . GLU A 214 ? 0.5523 0.5036 0.6382 -0.0751 -0.0764 0.0062 215 GLU A N 1691 C CA . GLU A 214 ? 0.6147 0.4954 0.6849 -0.0833 -0.0933 0.0045 215 GLU A CA 1692 C C . GLU A 214 ? 0.7102 0.5314 0.7296 -0.0684 -0.1128 -0.0259 215 GLU A C 1693 O O . GLU A 214 ? 0.6545 0.4670 0.6344 -0.0363 -0.0993 -0.0379 215 GLU A O 1694 C CB . GLU A 214 ? 0.5763 0.4363 0.6326 -0.0687 -0.0761 0.0211 215 GLU A CB 1695 C CG . GLU A 214 ? 0.6654 0.4384 0.6981 -0.0707 -0.0923 0.0189 215 GLU A CG 1696 C CD . GLU A 214 ? 0.7712 0.5264 0.7983 -0.0580 -0.0771 0.0434 215 GLU A CD 1697 O OE1 . GLU A 214 ? 0.7593 0.4362 0.7635 -0.0538 -0.0879 0.0435 215 GLU A OE1 1698 O OE2 . GLU A 214 ? 0.8367 0.6506 0.8774 -0.0512 -0.0567 0.0622 215 GLU A OE2 1699 N N . MET A 215 ? 0.8372 0.6201 0.8578 -0.0925 -0.1449 -0.0369 216 MET A N 1700 C CA . MET A 215 ? 1.0040 0.7134 0.9613 -0.0797 -0.1680 -0.0683 216 MET A CA 1701 C C . MET A 215 ? 1.1586 0.7771 1.0988 -0.0984 -0.1949 -0.0737 216 MET A C 1702 O O . MET A 215 ? 1.2860 0.9069 1.2763 -0.1400 -0.2164 -0.0584 216 MET A O 1703 C CB . MET A 215 ? 1.1004 0.8314 1.0550 -0.0898 -0.1927 -0.0837 216 MET A CB 1704 C CG . MET A 215 ? 1.2295 0.8719 1.1139 -0.0870 -0.2278 -0.1158 216 MET A CG 1705 S SD . MET A 215 ? 0.9805 0.6452 0.8408 -0.0884 -0.2567 -0.1337 216 MET A SD 1706 C CE . MET A 215 ? 0.9413 0.4810 0.6838 -0.0690 -0.2851 -0.1751 216 MET A CE 1707 N N . HIS A 216 ? 1.1829 0.7205 1.0548 -0.0671 -0.1925 -0.0936 217 HIS A N 1708 C CA . HIS A 216 ? 1.4382 0.8664 1.2755 -0.0804 -0.2222 -0.1066 217 HIS A CA 1709 C C . HIS A 216 ? 1.5261 0.8756 1.2744 -0.0599 -0.2457 -0.1491 217 HIS A C 1710 O O . HIS A 216 ? 1.4631 0.8314 1.1665 -0.0185 -0.2220 -0.1631 217 HIS A O 1711 C CB . HIS A 216 ? 1.5623 0.9442 1.3885 -0.0573 -0.1997 -0.0920 217 HIS A CB 1712 C CG . HIS A 216 ? 1.5756 0.9924 1.4723 -0.0902 -0.1929 -0.0515 217 HIS A CG 1713 N ND1 . HIS A 216 ? 1.5335 1.0291 1.4666 -0.0761 -0.1572 -0.0221 217 HIS A ND1 1714 C CD2 . HIS A 216 ? 1.6627 1.0468 1.5978 -0.1376 -0.2170 -0.0334 217 HIS A CD2 1715 C CE1 . HIS A 216 ? 1.5797 1.0882 1.5622 -0.1092 -0.1564 0.0118 217 HIS A CE1 1716 N NE2 . HIS A 216 ? 1.6664 1.1116 1.6565 -0.1477 -0.1902 0.0081 217 HIS A NE2 1717 N N . PRO A 217 ? 1.5539 0.8185 1.2763 -0.0907 -0.2925 -0.1676 218 PRO A N 1718 C CA . PRO A 217 ? 1.6335 0.8483 1.2792 -0.0757 -0.3119 -0.1992 218 PRO A CA 1719 C C . PRO A 217 ? 1.8035 0.9719 1.3557 -0.0124 -0.2812 -0.2236 218 PRO A C 1720 O O . PRO A 217 ? 1.8143 0.9580 1.3538 0.0226 -0.2489 -0.2187 218 PRO A O 1721 C CB . PRO A 217 ? 1.7272 0.8720 1.3765 -0.1078 -0.3421 -0.1983 218 PRO A CB 1722 C CG . PRO A 217 ? 1.5574 0.7294 1.2949 -0.1422 -0.3346 -0.1604 218 PRO A CG 1723 C CD . PRO A 217 ? 1.4564 0.7255 1.2510 -0.1428 -0.3126 -0.1405 218 PRO A CD 1724 N N . GLU A 218 ? 1.9334 1.0991 1.4264 0.0029 -0.2897 -0.2449 219 GLU A N 1725 C CA . GLU A 218 ? 1.9929 1.1180 1.3939 0.0588 -0.2628 -0.2660 219 GLU A CA 1726 C C . GLU A 218 ? 2.0487 1.1890 1.4416 0.1107 -0.2094 -0.2583 219 GLU A C 1727 O O . GLU A 218 ? 2.1706 1.2658 1.5022 0.1555 -0.1854 -0.2698 219 GLU A O 1728 C CB . GLU A 218 ? 2.0655 1.0882 1.4012 0.0614 -0.2862 -0.2875 219 GLU A CB 1729 C CG . GLU A 218 ? 2.0532 1.0148 1.4139 0.0471 -0.2930 -0.2802 219 GLU A CG 1730 C CD . GLU A 218 ? 2.1852 1.0520 1.4980 0.0278 -0.3331 -0.3003 219 GLU A CD 1731 O OE1 . GLU A 218 ? 2.1328 0.9841 1.4992 -0.0221 -0.3651 -0.2884 219 GLU A OE1 1732 O OE2 . GLU A 218 ? 2.3017 1.1098 1.5232 0.0620 -0.3319 -0.3265 219 GLU A OE2 1733 N N . ALA A 219 ? 1.8861 1.0941 1.3435 0.1058 -0.1910 -0.2375 220 ALA A N 1734 C CA . ALA A 219 ? 1.7356 0.9788 1.1966 0.1548 -0.1412 -0.2261 220 ALA A CA 1735 C C . ALA A 219 ? 1.5613 0.9324 1.0843 0.1449 -0.1201 -0.2021 220 ALA A C 1736 O O . ALA A 219 ? 1.5050 0.9458 1.0623 0.1711 -0.0800 -0.1808 220 ALA A O 1737 C CB . ALA A 219 ? 1.6288 0.8667 1.1426 0.1550 -0.1296 -0.2020 220 ALA A CB 1738 N N . GLN A 220 ? 1.4401 0.8379 0.9776 0.1069 -0.1506 -0.2053 221 GLN A N 1739 C CA . GLN A 220 ? 1.3368 0.8431 0.9340 0.0924 -0.1375 -0.1833 221 GLN A CA 1740 C C . GLN A 220 ? 1.3413 0.9221 1.0286 0.0779 -0.1172 -0.1504 221 GLN A C 1741 O O . GLN A 220 ? 1.3732 0.9503 1.1069 0.0448 -0.1357 -0.1393 221 GLN A O 1742 C CB . GLN A 220 ? 1.3369 0.8734 0.8904 0.1317 -0.1041 -0.1853 221 GLN A CB 1743 C CG . GLN A 220 ? 1.3829 0.8929 0.8686 0.1317 -0.1265 -0.2056 221 GLN A CG 1744 C CD . GLN A 220 ? 1.5699 0.9774 0.9615 0.1495 -0.1447 -0.2358 221 GLN A CD 1745 O OE1 . GLN A 220 ? 1.6211 0.9666 1.0074 0.1462 -0.1566 -0.2444 221 GLN A OE1 1746 N NE2 . GLN A 220 ? 1.6536 1.0591 0.9884 0.1643 -0.1424 -0.2407 221 GLN A NE2 1747 N N . CYS A 221 ? 1.2202 0.8672 0.9298 0.1014 -0.0800 -0.1334 222 CYS A N 1748 C CA . CYS A 221 ? 1.0400 0.7584 0.8243 0.0873 -0.0651 -0.1045 222 CYS A CA 1749 C C . CYS A 221 ? 0.9784 0.7124 0.7720 0.1202 -0.0349 -0.0902 222 CYS A C 1750 O O . CYS A 221 ? 0.9239 0.7248 0.7424 0.1322 -0.0116 -0.0758 222 CYS A O 1751 C CB . CYS A 221 ? 0.9616 0.7587 0.7810 0.0728 -0.0585 -0.0933 222 CYS A CB 1752 S SG . CYS A 221 ? 0.7936 0.5856 0.6077 0.0430 -0.0930 -0.1060 222 CYS A SG 1753 N N . PRO A 222 ? 0.9886 0.6603 0.7661 0.1339 -0.0381 -0.0920 223 PRO A N 1754 C CA . PRO A 222 ? 0.9712 0.6581 0.7624 0.1692 -0.0128 -0.0753 223 PRO A CA 1755 C C . PRO A 222 ? 0.9425 0.6779 0.7945 0.1496 -0.0135 -0.0455 223 PRO A C 1756 O O . PRO A 222 ? 0.9253 0.6945 0.8002 0.1744 0.0032 -0.0265 223 PRO A O 1757 C CB . PRO A 222 ? 1.0337 0.6143 0.7682 0.1956 -0.0192 -0.0935 223 PRO A CB 1758 C CG . PRO A 222 ? 1.0493 0.5696 0.7741 0.1519 -0.0565 -0.1056 223 PRO A CG 1759 C CD . PRO A 222 ? 1.0423 0.6196 0.7856 0.1186 -0.0682 -0.1095 223 PRO A CD 1760 N N . TYR A 223 ? 0.8965 0.6381 0.7735 0.1073 -0.0325 -0.0399 224 TYR A N 1761 C CA . TYR A 223 ? 0.8004 0.5809 0.7215 0.0889 -0.0317 -0.0119 224 TYR A CA 1762 C C . TYR A 223 ? 0.7078 0.5763 0.6627 0.0762 -0.0224 -0.0015 224 TYR A C 1763 O O . TYR A 223 ? 0.6518 0.5677 0.6218 0.0936 -0.0095 0.0109 224 TYR A O 1764 C CB . TYR A 223 ? 0.7095 0.4510 0.6411 0.0517 -0.0516 -0.0068 224 TYR A CB 1765 C CG . TYR A 223 ? 0.8523 0.4931 0.7493 0.0567 -0.0670 -0.0171 224 TYR A CG 1766 C CD1 . TYR A 223 ? 0.9489 0.5467 0.8418 0.0727 -0.0632 0.0010 224 TYR A CD1 1767 C CD2 . TYR A 223 ? 0.9266 0.5080 0.7899 0.0457 -0.0887 -0.0452 224 TYR A CD2 1768 C CE1 . TYR A 223 ? 1.0404 0.5320 0.8967 0.0780 -0.0785 -0.0095 224 TYR A CE1 1769 C CE2 . TYR A 223 ? 1.0382 0.5134 0.8612 0.0484 -0.1074 -0.0586 224 TYR A CE2 1770 C CZ . TYR A 223 ? 1.0371 0.4644 0.8569 0.0646 -0.1011 -0.0410 224 TYR A CZ 1771 O OH . TYR A 223 ? 1.1551 0.4633 0.9300 0.0679 -0.1208 -0.0553 224 TYR A OH 1772 N N . ASP A 224 ? 0.6227 0.5108 0.5910 0.0459 -0.0312 -0.0060 225 ASP A N 1773 C CA . ASP A 224 ? 0.5683 0.5236 0.5586 0.0359 -0.0236 -0.0012 225 ASP A CA 1774 C C . ASP A 224 ? 0.5815 0.5454 0.5556 0.0426 -0.0223 -0.0193 225 ASP A C 1775 O O . ASP A 224 ? 0.6621 0.5874 0.6134 0.0396 -0.0346 -0.0359 225 ASP A O 1776 C CB . ASP A 224 ? 0.5815 0.5568 0.5971 0.0061 -0.0285 0.0081 225 ASP A CB 1777 C CG . ASP A 224 ? 0.6162 0.5758 0.6415 -0.0024 -0.0278 0.0297 225 ASP A CG 1778 O OD1 . ASP A 224 ? 0.5632 0.5107 0.5784 0.0161 -0.0236 0.0406 225 ASP A OD1 1779 O OD2 . ASP A 224 ? 0.6662 0.6288 0.7122 -0.0268 -0.0306 0.0395 225 ASP A OD2 1780 N N . SER A 225 ? 0.5969 0.6079 0.5801 0.0500 -0.0101 -0.0146 226 SER A N 1781 C CA . SER A 225 ? 0.5822 0.6006 0.5479 0.0583 -0.0047 -0.0254 226 SER A CA 1782 C C . SER A 225 ? 0.5221 0.5850 0.5065 0.0435 -0.0024 -0.0206 226 SER A C 1783 O O . SER A 225 ? 0.3977 0.4962 0.4033 0.0399 0.0030 -0.0084 226 SER A O 1784 C CB . SER A 225 ? 0.6082 0.6302 0.5622 0.0888 0.0129 -0.0223 226 SER A CB 1785 O OG . SER A 225 ? 0.7244 0.7510 0.6555 0.0978 0.0224 -0.0291 226 SER A OG 1786 N N . LEU A 226 ? 0.6143 0.6694 0.5875 0.0353 -0.0099 -0.0305 227 LEU A N 1787 C CA . LEU A 226 ? 0.5131 0.5959 0.4963 0.0257 -0.0080 -0.0273 227 LEU A CA 1788 C C . LEU A 226 ? 0.5670 0.6460 0.5256 0.0367 -0.0012 -0.0293 227 LEU A C 1789 O O . LEU A 226 ? 0.6908 0.7433 0.6209 0.0414 -0.0101 -0.0393 227 LEU A O 1790 C CB . LEU A 226 ? 0.4714 0.5540 0.4668 0.0112 -0.0204 -0.0314 227 LEU A CB 1791 C CG . LEU A 226 ? 0.4632 0.5641 0.4657 0.0064 -0.0185 -0.0296 227 LEU A CG 1792 C CD1 . LEU A 226 ? 0.5432 0.6632 0.5560 0.0013 -0.0097 -0.0226 227 LEU A CD1 1793 C CD2 . LEU A 226 ? 0.5244 0.6298 0.5442 0.0001 -0.0286 -0.0319 227 LEU A CD2 1794 N N . LYS A 227 ? 0.5272 0.6335 0.4962 0.0393 0.0132 -0.0172 228 LYS A N 1795 C CA . LYS A 227 ? 0.5375 0.6450 0.4855 0.0496 0.0260 -0.0119 228 LYS A CA 1796 C C . LYS A 227 ? 0.5572 0.6830 0.5200 0.0336 0.0275 -0.0007 228 LYS A C 1797 O O . LYS A 227 ? 0.5731 0.7169 0.5644 0.0177 0.0225 0.0041 228 LYS A O 1798 C CB . LYS A 227 ? 0.4864 0.6116 0.4375 0.0696 0.0470 -0.0018 228 LYS A CB 1799 C CG . LYS A 227 ? 0.5063 0.5989 0.4342 0.0907 0.0466 -0.0143 228 LYS A CG 1800 C CD . LYS A 227 ? 0.6499 0.7688 0.5961 0.1140 0.0680 -0.0010 228 LYS A CD 1801 C CE . LYS A 227 ? 0.7303 0.8675 0.6606 0.1346 0.0961 0.0098 228 LYS A CE 1802 N NZ . LYS A 227 ? 0.9246 1.0047 0.7819 0.1549 0.0987 -0.0095 228 LYS A NZ 1803 N N . ILE A 228 ? 0.5230 0.6362 0.4586 0.0384 0.0327 0.0034 229 ILE A N 1804 C CA . ILE A 228 ? 0.4732 0.5905 0.4168 0.0238 0.0337 0.0161 229 ILE A CA 1805 C C . ILE A 228 ? 0.5159 0.6502 0.4554 0.0282 0.0566 0.0377 229 ILE A C 1806 O O . ILE A 228 ? 0.6701 0.7956 0.5731 0.0493 0.0705 0.0387 229 ILE A O 1807 C CB . ILE A 228 ? 0.5502 0.6363 0.4682 0.0247 0.0185 0.0086 229 ILE A CB 1808 C CG1 . ILE A 228 ? 0.5336 0.6147 0.4658 0.0216 0.0005 -0.0079 229 ILE A CG1 1809 C CG2 . ILE A 228 ? 0.5716 0.6498 0.4946 0.0120 0.0192 0.0222 229 ILE A CG2 1810 C CD1 . ILE A 228 ? 0.4570 0.5205 0.3780 0.0255 -0.0156 -0.0125 229 ILE A CD1 1811 N N . GLN A 229 ? 0.4778 0.6351 0.4528 0.0075 0.0606 0.0558 230 GLN A N 1812 C CA . GLN A 229 ? 0.5360 0.7205 0.5229 0.0053 0.0845 0.0838 230 GLN A CA 1813 C C . GLN A 229 ? 0.5252 0.6931 0.5173 -0.0195 0.0799 0.1006 230 GLN A C 1814 O O . GLN A 229 ? 0.5629 0.7199 0.5776 -0.0433 0.0600 0.0958 230 GLN A O 1815 C CB . GLN A 229 ? 0.5180 0.7589 0.5606 0.0006 0.0943 0.0983 230 GLN A CB 1816 C CG . GLN A 229 ? 0.5533 0.8394 0.6280 -0.0052 0.1213 0.1339 230 GLN A CG 1817 C CD . GLN A 229 ? 0.6253 0.9302 0.6761 0.0325 0.1567 0.1424 230 GLN A CD 1818 O OE1 . GLN A 229 ? 0.6889 1.0000 0.7347 0.0589 0.1611 0.1283 230 GLN A OE1 1819 N NE2 . GLN A 229 ? 0.7057 1.0136 0.7352 0.0374 0.1837 0.1662 230 GLN A NE2 1820 N N . THR A 230 ? 0.4881 0.6464 0.4511 -0.0122 0.0984 0.1202 231 THR A N 1821 C CA . THR A 230 ? 0.4741 0.6143 0.4427 -0.0360 0.0987 0.1443 231 THR A CA 1822 C C . THR A 230 ? 0.5161 0.7007 0.5094 -0.0415 0.1317 0.1829 231 THR A C 1823 O O . THR A 230 ? 0.5342 0.7645 0.5385 -0.0216 0.1554 0.1883 231 THR A O 1824 C CB . THR A 230 ? 0.7068 0.7906 0.6165 -0.0234 0.0902 0.1407 231 THR A CB 1825 O OG1 . THR A 230 ? 0.6855 0.7703 0.5450 0.0037 0.1120 0.1506 231 THR A OG1 1826 C CG2 . THR A 230 ? 0.6164 0.6714 0.5108 -0.0128 0.0621 0.1063 231 THR A CG2 1827 N N . ASP A 231 ? 0.5385 0.7090 0.5416 -0.0670 0.1355 0.2122 232 ASP A N 1828 C CA . ASP A 231 ? 0.5694 0.7884 0.6050 -0.0771 0.1700 0.2566 232 ASP A CA 1829 C C . ASP A 231 ? 0.6991 0.9058 0.6668 -0.0441 0.2027 0.2726 232 ASP A C 1830 O O . ASP A 231 ? 0.6646 0.9067 0.6452 -0.0469 0.2390 0.3140 232 ASP A O 1831 C CB . ASP A 231 ? 0.8015 1.0074 0.8803 -0.1249 0.1589 0.2855 232 ASP A CB 1832 C CG . ASP A 231 ? 0.9928 1.1170 1.0146 -0.1279 0.1464 0.2874 232 ASP A CG 1833 O OD1 . ASP A 231 ? 1.0645 1.1430 1.0293 -0.1002 0.1304 0.2557 232 ASP A OD1 1834 O OD2 . ASP A 231 ? 1.0740 1.1809 1.1124 -0.1585 0.1516 0.3235 232 ASP A OD2 1835 N N . LYS A 232 ? 0.6740 0.8325 0.5689 -0.0136 0.1892 0.2415 233 LYS A N 1836 C CA . LYS A 232 ? 0.7680 0.9034 0.5813 0.0193 0.2114 0.2507 233 LYS A CA 1837 C C . LYS A 232 ? 0.7984 0.9362 0.5648 0.0597 0.2168 0.2192 233 LYS A C 1838 O O . LYS A 232 ? 0.8985 1.0404 0.6097 0.0903 0.2492 0.2300 233 LYS A O 1839 C CB . LYS A 232 ? 0.7388 0.8050 0.4959 0.0194 0.1847 0.2467 233 LYS A CB 1840 C CG . LYS A 232 ? 0.8423 0.8873 0.6253 -0.0143 0.1840 0.2825 233 LYS A CG 1841 C CD . LYS A 232 ? 0.9248 0.8989 0.6505 -0.0060 0.1574 0.2791 233 LYS A CD 1842 C CE . LYS A 232 ? 0.9810 0.9203 0.7246 -0.0371 0.1581 0.3171 233 LYS A CE 1843 N NZ . LYS A 232 ? 0.9682 0.9122 0.7893 -0.0767 0.1415 0.3108 233 LYS A NZ 1844 N N . ARG A 233 ? 0.6611 0.7907 0.4446 0.0602 0.1862 0.1808 234 ARG A N 1845 C CA . ARG A 233 ? 0.7114 0.8311 0.4529 0.0933 0.1851 0.1493 234 ARG A CA 1846 C C . ARG A 233 ? 0.7402 0.8683 0.5294 0.0841 0.1586 0.1195 234 ARG A C 1847 O O . ARG A 233 ? 0.5296 0.6796 0.3837 0.0553 0.1458 0.1240 234 ARG A O 1848 C CB . ARG A 233 ? 0.8604 0.9196 0.5109 0.1139 0.1652 0.1305 234 ARG A CB 1849 C CG . ARG A 233 ? 0.7997 0.8261 0.4589 0.0953 0.1216 0.1154 234 ARG A CG 1850 C CD . ARG A 233 ? 0.9200 0.8990 0.5034 0.1160 0.0939 0.0928 234 ARG A CD 1851 N NE . ARG A 233 ? 0.9368 0.9074 0.5027 0.1313 0.0839 0.0597 234 ARG A NE 1852 C CZ . ARG A 233 ? 0.9925 0.9225 0.5022 0.1435 0.0522 0.0341 234 ARG A CZ 1853 N NH1 . ARG A 233 ? 1.0115 0.9137 0.4792 0.1450 0.0267 0.0386 234 ARG A NH1 1854 N NH2 . ARG A 233 ? 1.0065 0.9214 0.5032 0.1530 0.0428 0.0053 234 ARG A NH2 1855 N N . GLU A 234 ? 0.7907 0.8948 0.5407 0.1085 0.1494 0.0895 235 GLU A N 1856 C CA . GLU A 234 ? 0.6256 0.7299 0.4111 0.1015 0.1249 0.0635 235 GLU A CA 1857 C C . GLU A 234 ? 0.7169 0.7703 0.4572 0.1058 0.0907 0.0335 235 GLU A C 1858 O O . GLU A 234 ? 0.8945 0.9112 0.5655 0.1229 0.0863 0.0271 235 GLU A O 1859 C CB . GLU A 234 ? 0.5699 0.6984 0.3694 0.1237 0.1462 0.0600 235 GLU A CB 1860 C CG . GLU A 234 ? 0.6908 0.8848 0.5486 0.1215 0.1796 0.0934 235 GLU A CG 1861 C CD . GLU A 234 ? 0.7057 0.9282 0.5869 0.1481 0.1979 0.0911 235 GLU A CD 1862 O OE1 . GLU A 234 ? 0.7103 0.9192 0.6067 0.1463 0.1748 0.0702 235 GLU A OE1 1863 O OE2 . GLU A 234 ? 0.7108 0.9703 0.5960 0.1730 0.2375 0.1131 235 GLU A OE2 1864 N N . TYR A 235 ? 0.6782 0.7327 0.4585 0.0895 0.0655 0.0174 236 TYR A N 1865 C CA . TYR A 235 ? 0.6273 0.6470 0.3851 0.0892 0.0331 -0.0070 236 TYR A CA 1866 C C . TYR A 235 ? 0.6580 0.6789 0.4431 0.0875 0.0255 -0.0232 236 TYR A C 1867 O O . TYR A 235 ? 0.6060 0.6588 0.4419 0.0775 0.0342 -0.0155 236 TYR A O 1868 C CB . TYR A 235 ? 0.6654 0.6857 0.4483 0.0707 0.0105 -0.0047 236 TYR A CB 1869 C CG . TYR A 235 ? 0.7270 0.7396 0.4871 0.0712 0.0160 0.0149 236 TYR A CG 1870 C CD1 . TYR A 235 ? 0.7083 0.7401 0.5007 0.0574 0.0336 0.0366 236 TYR A CD1 1871 C CD2 . TYR A 235 ? 0.7165 0.6985 0.4213 0.0837 -0.0004 0.0132 236 TYR A CD2 1872 C CE1 . TYR A 235 ? 0.6870 0.7036 0.4584 0.0557 0.0385 0.0580 236 TYR A CE1 1873 C CE2 . TYR A 235 ? 0.7108 0.6813 0.3910 0.0858 0.0044 0.0353 236 TYR A CE2 1874 C CZ . TYR A 235 ? 0.7328 0.7186 0.4471 0.0716 0.0256 0.0584 236 TYR A CZ 1875 O OH . TYR A 235 ? 0.8127 0.7791 0.5023 0.0716 0.0305 0.0836 236 TYR A OH 1876 N N . GLY A 236 ? 0.6458 0.6275 0.3942 0.0955 0.0061 -0.0444 237 GLY A N 1877 C CA . GLY A 236 ? 0.6141 0.5865 0.3853 0.0914 -0.0034 -0.0572 237 GLY A CA 1878 C C . GLY A 236 ? 0.6587 0.6014 0.3906 0.1180 0.0120 -0.0667 237 GLY A C 1879 O O . GLY A 236 ? 0.8179 0.7445 0.4955 0.1424 0.0301 -0.0668 237 GLY A O 1880 N N . PRO A 237 ? 0.5977 0.5298 0.3528 0.1168 0.0076 -0.0731 238 PRO A N 1881 C CA . PRO A 237 ? 0.5771 0.5290 0.3907 0.0904 -0.0081 -0.0689 238 PRO A CA 1882 C C . PRO A 237 ? 0.7010 0.6293 0.5155 0.0683 -0.0423 -0.0809 238 PRO A C 1883 O O . PRO A 237 ? 0.8118 0.6880 0.5828 0.0715 -0.0625 -0.0988 238 PRO A O 1884 C CB . PRO A 237 ? 0.6334 0.5687 0.4537 0.1037 0.0002 -0.0697 238 PRO A CB 1885 C CG . PRO A 237 ? 0.7287 0.6071 0.4808 0.1332 0.0049 -0.0871 238 PRO A CG 1886 C CD . PRO A 237 ? 0.6399 0.5346 0.3581 0.1469 0.0218 -0.0829 238 PRO A CD 1887 N N . PHE A 238 ? 0.6226 0.5895 0.4866 0.0466 -0.0491 -0.0707 239 PHE A N 1888 C CA . PHE A 238 ? 0.6415 0.6054 0.5257 0.0260 -0.0777 -0.0752 239 PHE A CA 1889 C C . PHE A 238 ? 0.6512 0.6158 0.5755 0.0089 -0.0833 -0.0711 239 PHE A C 1890 O O . PHE A 238 ? 0.6057 0.6027 0.5652 0.0046 -0.0665 -0.0577 239 PHE A O 1891 C CB . PHE A 238 ? 0.5860 0.5913 0.5009 0.0185 -0.0779 -0.0646 239 PHE A CB 1892 C CG . PHE A 238 ? 0.6092 0.6091 0.4855 0.0320 -0.0754 -0.0638 239 PHE A CG 1893 C CD1 . PHE A 238 ? 0.5834 0.5559 0.4201 0.0358 -0.1004 -0.0731 239 PHE A CD1 1894 C CD2 . PHE A 238 ? 0.5809 0.6013 0.4592 0.0386 -0.0509 -0.0514 239 PHE A CD2 1895 C CE1 . PHE A 238 ? 0.6073 0.5723 0.4014 0.0498 -0.0970 -0.0683 239 PHE A CE1 1896 C CE2 . PHE A 238 ? 0.6032 0.6161 0.4467 0.0489 -0.0465 -0.0452 239 PHE A CE2 1897 C CZ . PHE A 238 ? 0.6280 0.6131 0.4268 0.0563 -0.0676 -0.0527 239 PHE A CZ 1898 N N . CYS A 239 ? 0.7240 0.6481 0.6383 -0.0023 -0.1088 -0.0817 240 CYS A N 1899 C CA . CYS A 239 ? 0.6939 0.6153 0.6495 -0.0240 -0.1165 -0.0732 240 CYS A CA 1900 C C . CYS A 239 ? 0.7887 0.6957 0.7610 -0.0499 -0.1538 -0.0783 240 CYS A C 1901 O O . CYS A 239 ? 0.9268 0.8076 0.8611 -0.0470 -0.1782 -0.0943 240 CYS A O 1902 C CB . CYS A 239 ? 0.5683 0.4405 0.4974 -0.0127 -0.1082 -0.0766 240 CYS A CB 1903 S SG . CYS A 239 ? 2.7200 2.6033 2.6216 0.0238 -0.0725 -0.0738 240 CYS A SG 1904 N N . GLY A 240 ? 0.6798 0.6063 0.7094 -0.0762 -0.1593 -0.0623 241 GLY A N 1905 C CA . GLY A 240 ? 0.7033 0.6276 0.7673 -0.1072 -0.1965 -0.0612 241 GLY A CA 1906 C C . GLY A 240 ? 0.7317 0.7330 0.8814 -0.1273 -0.1890 -0.0342 241 GLY A C 1907 O O . GLY A 240 ? 0.7370 0.7763 0.9108 -0.1200 -0.1541 -0.0170 241 GLY A O 1908 N N . LYS A 241 ? 0.7052 0.7311 0.8996 -0.1509 -0.2222 -0.0297 242 LYS A N 1909 C CA . LYS A 241 ? 0.6890 0.7963 0.9749 -0.1682 -0.2139 -0.0006 242 LYS A CA 1910 C C . LYS A 241 ? 0.7813 0.9439 1.0989 -0.1608 -0.2307 0.0013 242 LYS A C 1911 O O . LYS A 241 ? 0.8660 1.0983 1.2673 -0.1756 -0.2341 0.0248 242 LYS A O 1912 C CB . LYS A 241 ? 0.6315 0.7332 0.9737 -0.2111 -0.2372 0.0161 242 LYS A CB 1913 C CG . LYS A 241 ? 0.6856 0.7956 1.0543 -0.2196 -0.2008 0.0413 242 LYS A CG 1914 C CD . LYS A 241 ? 0.8133 0.9105 1.2382 -0.2666 -0.2255 0.0615 242 LYS A CD 1915 C CE . LYS A 241 ? 0.9154 1.0369 1.3761 -0.2752 -0.1848 0.0964 242 LYS A CE 1916 N NZ . LYS A 241 ? 0.9033 1.1285 1.4268 -0.2641 -0.1462 0.1241 242 LYS A NZ 1917 N N . THR A 242 ? 0.6983 0.8326 0.9511 -0.1358 -0.2392 -0.0199 243 THR A N 1918 C CA . THR A 242 ? 0.6559 0.8327 0.9274 -0.1239 -0.2567 -0.0171 243 THR A CA 1919 C C . THR A 242 ? 0.6578 0.8387 0.8879 -0.0870 -0.2229 -0.0210 243 THR A C 1920 O O . THR A 242 ? 0.7221 0.8541 0.8835 -0.0722 -0.2057 -0.0358 243 THR A O 1921 C CB . THR A 242 ? 0.7208 0.8529 0.9486 -0.1336 -0.3117 -0.0361 243 THR A CB 1922 O OG1 . THR A 242 ? 0.8683 1.0049 1.1432 -0.1683 -0.3397 -0.0285 243 THR A OG1 1923 C CG2 . THR A 242 ? 0.7188 0.8842 0.9449 -0.1129 -0.3278 -0.0330 243 THR A CG2 1924 N N . LEU A 243 ? 0.5256 0.7649 0.8019 -0.0723 -0.2130 -0.0059 244 LEU A N 1925 C CA . LEU A 243 ? 0.5061 0.7416 0.7453 -0.0404 -0.1865 -0.0086 244 LEU A CA 1926 C C . LEU A 243 ? 0.5361 0.7185 0.6959 -0.0281 -0.2053 -0.0249 244 LEU A C 1927 O O . LEU A 243 ? 0.4671 0.6489 0.6208 -0.0287 -0.2426 -0.0259 244 LEU A O 1928 C CB . LEU A 243 ? 0.4749 0.7719 0.7740 -0.0234 -0.1802 0.0094 244 LEU A CB 1929 C CG . LEU A 243 ? 0.3951 0.7460 0.7582 -0.0208 -0.1443 0.0268 244 LEU A CG 1930 C CD1 . LEU A 243 ? 0.2892 0.6968 0.7064 0.0047 -0.1386 0.0430 244 LEU A CD1 1931 C CD2 . LEU A 243 ? 0.2761 0.5953 0.5913 -0.0104 -0.1039 0.0186 244 LEU A CD2 1932 N N . PRO A 244 ? 0.5257 0.6668 0.6248 -0.0167 -0.1794 -0.0351 245 PRO A N 1933 C CA . PRO A 244 ? 0.5034 0.5992 0.5261 -0.0019 -0.1856 -0.0455 245 PRO A CA 1934 C C . PRO A 244 ? 0.5296 0.6393 0.5487 0.0165 -0.1914 -0.0350 245 PRO A C 1935 O O . PRO A 244 ? 0.5833 0.7291 0.6498 0.0244 -0.1763 -0.0227 245 PRO A O 1936 C CB . PRO A 244 ? 0.5219 0.5968 0.5125 0.0058 -0.1479 -0.0489 245 PRO A CB 1937 C CG . PRO A 244 ? 0.4969 0.5889 0.5307 -0.0088 -0.1343 -0.0465 245 PRO A CG 1938 C CD . PRO A 244 ? 0.4879 0.6287 0.5904 -0.0172 -0.1427 -0.0339 245 PRO A CD 1939 N N . PRO A 245 ? 0.6252 0.7011 0.5820 0.0263 -0.2121 -0.0393 246 PRO A N 1940 C CA . PRO A 245 ? 0.6178 0.6991 0.5636 0.0452 -0.2210 -0.0258 246 PRO A CA 1941 C C . PRO A 245 ? 0.5779 0.6532 0.5162 0.0596 -0.1823 -0.0156 246 PRO A C 1942 O O . PRO A 245 ? 0.4649 0.5284 0.3924 0.0546 -0.1518 -0.0205 246 PRO A O 1943 C CB . PRO A 245 ? 0.6375 0.6721 0.4979 0.0516 -0.2462 -0.0338 246 PRO A CB 1944 C CG . PRO A 245 ? 0.6639 0.6615 0.4795 0.0448 -0.2300 -0.0518 246 PRO A CG 1945 C CD . PRO A 245 ? 0.6340 0.6582 0.5183 0.0240 -0.2267 -0.0567 246 PRO A CD 1946 N N . ARG A 246 ? 0.5787 0.6599 0.5244 0.0767 -0.1874 -0.0007 247 ARG A N 1947 C CA . ARG A 246 ? 0.5900 0.6531 0.5254 0.0885 -0.1577 0.0095 247 ARG A CA 1948 C C . ARG A 246 ? 0.6618 0.6830 0.5291 0.0869 -0.1401 0.0112 247 ARG A C 1949 O O . ARG A 246 ? 0.7531 0.7532 0.5656 0.0905 -0.1547 0.0109 247 ARG A O 1950 C CB . ARG A 246 ? 0.5733 0.6397 0.5217 0.1109 -0.1722 0.0265 247 ARG A CB 1951 C CG . ARG A 246 ? 0.5286 0.5661 0.4703 0.1236 -0.1460 0.0363 247 ARG A CG 1952 C CD . ARG A 246 ? 0.6438 0.6737 0.5873 0.1505 -0.1645 0.0551 247 ARG A CD 1953 N NE . ARG A 246 ? 0.8201 0.8139 0.7618 0.1652 -0.1424 0.0628 247 ARG A NE 1954 C CZ . ARG A 246 ? 0.9753 0.9840 0.9640 0.1837 -0.1323 0.0607 247 ARG A CZ 1955 N NH1 . ARG A 246 ? 1.0044 1.0756 1.0552 0.1884 -0.1390 0.0562 247 ARG A NH1 1956 N NH2 . ARG A 246 ? 1.0827 1.0410 1.0549 0.1976 -0.1145 0.0639 247 ARG A NH2 1957 N N . ILE A 247 ? 0.6248 0.6356 0.4949 0.0814 -0.1090 0.0140 248 ILE A N 1958 C CA . ILE A 247 ? 0.7107 0.6946 0.5328 0.0779 -0.0886 0.0222 248 ILE A CA 1959 C C . ILE A 247 ? 0.7074 0.6654 0.5236 0.0803 -0.0752 0.0409 248 ILE A C 1960 O O . ILE A 247 ? 0.6979 0.6543 0.5457 0.0730 -0.0632 0.0385 248 ILE A O 1961 C CB . ILE A 247 ? 0.7418 0.7384 0.5754 0.0633 -0.0662 0.0122 248 ILE A CB 1962 C CG1 . ILE A 247 ? 0.6901 0.6977 0.5221 0.0613 -0.0793 -0.0055 248 ILE A CG1 1963 C CG2 . ILE A 247 ? 0.7024 0.6851 0.5009 0.0611 -0.0420 0.0264 248 ILE A CG2 1964 C CD1 . ILE A 247 ? 0.5026 0.5181 0.3406 0.0533 -0.0584 -0.0128 248 ILE A CD1 1965 N N . GLU A 248 ? 0.7838 0.7142 0.5524 0.0903 -0.0788 0.0597 249 GLU A N 1966 C CA . GLU A 248 ? 0.7474 0.6427 0.5052 0.0901 -0.0672 0.0820 249 GLU A CA 1967 C C . GLU A 248 ? 0.8034 0.6901 0.5376 0.0742 -0.0390 0.0978 249 GLU A C 1968 O O . GLU A 248 ? 0.9097 0.7807 0.5935 0.0810 -0.0326 0.1178 249 GLU A O 1969 C CB . GLU A 248 ? 0.7363 0.6052 0.4595 0.1119 -0.0880 0.1008 249 GLU A CB 1970 C CG . GLU A 248 ? 0.8745 0.7595 0.6356 0.1304 -0.1149 0.0928 249 GLU A CG 1971 C CD . GLU A 248 ? 1.1543 1.0144 0.8847 0.1547 -0.1379 0.1158 249 GLU A CD 1972 O OE1 . GLU A 248 ? 1.2229 1.1033 0.9898 0.1741 -0.1615 0.1146 249 GLU A OE1 1973 O OE2 . GLU A 248 ? 1.2001 1.0239 0.8719 0.1558 -0.1315 0.1383 249 GLU A OE2 1974 N N . THR A 249 ? 0.7538 0.6551 0.5252 0.0536 -0.0222 0.0912 250 THR A N 1975 C CA . THR A 249 ? 0.7891 0.6952 0.5580 0.0355 0.0038 0.1104 250 THR A CA 1976 C C . THR A 249 ? 1.0173 0.8810 0.7710 0.0275 0.0092 0.1408 250 THR A C 1977 O O . THR A 249 ? 1.2132 1.0393 0.9729 0.0303 -0.0057 0.1398 250 THR A O 1978 C CB . THR A 249 ? 0.6849 0.6181 0.5036 0.0134 0.0125 0.0985 250 THR A CB 1979 O OG1 . THR A 249 ? 0.6897 0.5929 0.5305 0.0014 0.0023 0.0944 250 THR A OG1 1980 C CG2 . THR A 249 ? 0.6097 0.5760 0.4444 0.0214 0.0056 0.0708 250 THR A CG2 1981 N N . ASP A 250 ? 0.9289 0.7966 0.6625 0.0192 0.0327 0.1698 251 ASP A N 1982 C CA . ASP A 250 ? 1.0087 0.8351 0.7312 0.0056 0.0406 0.2051 251 ASP A CA 1983 C C . ASP A 250 ? 1.0215 0.8600 0.7964 -0.0323 0.0542 0.2170 251 ASP A C 1984 O O . ASP A 250 ? 1.1314 0.9604 0.9083 -0.0527 0.0720 0.2541 251 ASP A O 1985 C CB . ASP A 250 ? 1.1381 0.9598 0.8017 0.0197 0.0592 0.2374 251 ASP A CB 1986 C CG . ASP A 250 ? 1.1735 0.9362 0.8077 0.0174 0.0566 0.2729 251 ASP A CG 1987 O OD1 . ASP A 250 ? 1.1259 0.8442 0.7705 0.0202 0.0319 0.2640 251 ASP A OD1 1988 O OD2 . ASP A 250 ? 1.3125 1.0710 0.9112 0.0156 0.0815 0.3114 251 ASP A OD2 1989 N N . SER A 251 ? 1.0182 0.8792 0.8363 -0.0433 0.0437 0.1875 252 SER A N 1990 C CA . SER A 251 ? 0.9568 0.8362 0.8265 -0.0801 0.0480 0.1942 252 SER A CA 1991 C C . SER A 251 ? 0.8544 0.6888 0.7392 -0.0943 0.0220 0.1706 252 SER A C 1992 O O . SER A 251 ? 0.8209 0.6345 0.6888 -0.0706 0.0069 0.1421 252 SER A O 1993 C CB . SER A 251 ? 0.9242 0.8760 0.8262 -0.0795 0.0606 0.1833 252 SER A CB 1994 O OG . SER A 251 ? 0.9540 0.9306 0.9114 -0.1145 0.0575 0.1890 252 SER A OG 1995 N N . ASN A 252 ? 0.8532 0.6728 0.7691 -0.1331 0.0168 0.1832 253 ASN A N 1996 C CA . ASN A 252 ? 0.9506 0.7190 0.8696 -0.1484 -0.0093 0.1576 253 ASN A CA 1997 C C . ASN A 252 ? 0.9894 0.8075 0.9412 -0.1598 -0.0179 0.1332 253 ASN A C 1998 O O . ASN A 252 ? 1.0681 0.8500 1.0116 -0.1661 -0.0390 0.1058 253 ASN A O 1999 C CB . ASN A 252 ? 0.9932 0.7009 0.9191 -0.1882 -0.0193 0.1818 253 ASN A CB 2000 C CG . ASN A 252 ? 0.9610 0.7264 0.9426 -0.2304 -0.0089 0.2155 253 ASN A CG 2001 O OD1 . ASN A 252 ? 0.9303 0.7749 0.9340 -0.2205 0.0166 0.2322 253 ASN A OD1 2002 N ND2 . ASN A 252 ? 0.9769 0.7022 0.9826 -0.2771 -0.0291 0.2262 253 ASN A ND2 2003 N N . LYS A 253 ? 0.9112 0.8085 0.8940 -0.1588 -0.0006 0.1441 254 LYS A N 2004 C CA . LYS A 253 ? 0.8867 0.8362 0.9006 -0.1641 -0.0077 0.1258 254 LYS A CA 2005 C C . LYS A 253 ? 0.8465 0.8458 0.8536 -0.1286 0.0086 0.1145 254 LYS A C 2006 O O . LYS A 253 ? 0.9292 0.9605 0.9344 -0.1148 0.0316 0.1337 254 LYS A O 2007 C CB . LYS A 253 ? 0.9485 0.9478 1.0209 -0.2025 -0.0073 0.1529 254 LYS A CB 2008 C CG . LYS A 253 ? 1.0542 1.1018 1.1508 -0.2033 0.0250 0.1944 254 LYS A CG 2009 C CD . LYS A 253 ? 1.1167 1.2342 1.2883 -0.2381 0.0274 0.2234 254 LYS A CD 2010 C CE . LYS A 253 ? 1.1708 1.3443 1.3673 -0.2331 0.0684 0.2678 254 LYS A CE 2011 N NZ . LYS A 253 ? 1.2230 1.4809 1.5079 -0.2646 0.0740 0.3015 254 LYS A NZ 2012 N N . VAL A 254 ? 0.8131 0.8128 0.8110 -0.1136 -0.0030 0.0836 255 VAL A N 2013 C CA . VAL A 254 ? 0.7523 0.7886 0.7445 -0.0847 0.0073 0.0715 255 VAL A CA 2014 C C . VAL A 254 ? 0.7481 0.8167 0.7623 -0.0882 -0.0014 0.0557 255 VAL A C 2015 O O . VAL A 254 ? 0.7680 0.8124 0.7760 -0.0978 -0.0187 0.0392 255 VAL A O 2016 C CB . VAL A 254 ? 0.7224 0.7254 0.6786 -0.0574 0.0029 0.0542 255 VAL A CB 2017 C CG1 . VAL A 254 ? 0.6790 0.7141 0.6331 -0.0356 0.0072 0.0410 255 VAL A CG1 2018 C CG2 . VAL A 254 ? 0.8279 0.7998 0.7572 -0.0497 0.0085 0.0724 255 VAL A CG2 2019 N N . THR A 255 ? 0.6278 0.7455 0.6606 -0.0772 0.0112 0.0614 256 THR A N 2020 C CA . THR A 255 ? 0.6445 0.7921 0.6969 -0.0773 0.0031 0.0511 256 THR A CA 2021 C C . THR A 255 ? 0.6229 0.7735 0.6577 -0.0499 0.0090 0.0357 256 THR A C 2022 O O . THR A 255 ? 0.7320 0.8882 0.7552 -0.0316 0.0235 0.0396 256 THR A O 2023 C CB . THR A 255 ? 0.6039 0.8089 0.7038 -0.0882 0.0093 0.0738 256 THR A CB 2024 O OG1 . THR A 255 ? 0.6766 0.8820 0.8020 -0.1207 0.0010 0.0922 256 THR A OG1 2025 C CG2 . THR A 255 ? 0.4616 0.6935 0.5794 -0.0878 -0.0046 0.0657 256 THR A CG2 2026 N N . ILE A 256 ? 0.5135 0.6560 0.5422 -0.0482 -0.0027 0.0188 257 ILE A N 2027 C CA . ILE A 256 ? 0.4767 0.6203 0.4958 -0.0290 0.0005 0.0076 257 ILE A CA 2028 C C . ILE A 256 ? 0.5253 0.6948 0.5614 -0.0285 -0.0026 0.0092 257 ILE A C 2029 O O . ILE A 256 ? 0.4944 0.6657 0.5324 -0.0406 -0.0145 0.0069 257 ILE A O 2030 C CB . ILE A 256 ? 0.4779 0.5937 0.4788 -0.0240 -0.0058 -0.0078 257 ILE A CB 2031 C CG1 . ILE A 256 ? 0.5109 0.6026 0.4962 -0.0179 -0.0051 -0.0072 257 ILE A CG1 2032 C CG2 . ILE A 256 ? 0.4061 0.5288 0.4088 -0.0127 -0.0052 -0.0147 257 ILE A CG2 2033 C CD1 . ILE A 256 ? 0.6024 0.6665 0.5798 -0.0291 -0.0096 -0.0047 257 ILE A CD1 2034 N N . THR A 257 ? 0.5379 0.7211 0.5792 -0.0122 0.0067 0.0130 258 THR A N 2035 C CA . THR A 257 ? 0.4525 0.6557 0.5091 -0.0067 0.0040 0.0178 258 THR A CA 2036 C C . THR A 257 ? 0.5086 0.6886 0.5494 0.0052 0.0037 0.0078 258 THR A C 2037 O O . THR A 257 ? 0.5475 0.7057 0.5722 0.0157 0.0082 0.0001 258 THR A O 2038 C CB . THR A 257 ? 0.4239 0.6620 0.5061 0.0060 0.0163 0.0344 258 THR A CB 2039 O OG1 . THR A 257 ? 0.5878 0.8085 0.6484 0.0270 0.0329 0.0303 258 THR A OG1 2040 C CG2 . THR A 257 ? 0.2539 0.5255 0.3665 -0.0123 0.0155 0.0509 258 THR A CG2 2041 N N . PHE A 258 ? 0.5123 0.6947 0.5552 0.0015 -0.0039 0.0095 259 PHE A N 2042 C CA . PHE A 258 ? 0.4692 0.6302 0.5032 0.0072 -0.0040 0.0058 259 PHE A CA 2043 C C . PHE A 258 ? 0.3956 0.5634 0.4364 0.0149 -0.0064 0.0183 259 PHE A C 2044 O O . PHE A 258 ? 0.4665 0.6506 0.5079 0.0081 -0.0140 0.0262 259 PHE A O 2045 C CB . PHE A 258 ? 0.3762 0.5282 0.4014 -0.0039 -0.0063 -0.0006 259 PHE A CB 2046 C CG . PHE A 258 ? 0.3636 0.5012 0.3908 -0.0039 -0.0051 0.0010 259 PHE A CG 2047 C CD1 . PHE A 258 ? 0.3714 0.4889 0.4010 -0.0010 -0.0079 -0.0048 259 PHE A CD1 2048 C CD2 . PHE A 258 ? 0.3174 0.4592 0.3413 -0.0088 -0.0024 0.0096 259 PHE A CD2 2049 C CE1 . PHE A 258 ? 0.4279 0.5307 0.4664 -0.0079 -0.0111 -0.0011 259 PHE A CE1 2050 C CE2 . PHE A 258 ? 0.3350 0.4669 0.3682 -0.0132 0.0007 0.0170 259 PHE A CE2 2051 C CZ . PHE A 258 ? 0.3869 0.4999 0.4324 -0.0153 -0.0053 0.0121 259 PHE A CZ 2052 N N . THR A 259 ? 0.3958 0.5446 0.4355 0.0309 -0.0020 0.0196 260 THR A N 2053 C CA . THR A 259 ? 0.4020 0.5497 0.4473 0.0434 -0.0041 0.0338 260 THR A CA 2054 C C . THR A 259 ? 0.4765 0.5816 0.5089 0.0418 -0.0061 0.0336 260 THR A C 2055 O O . THR A 259 ? 0.5052 0.5800 0.5283 0.0369 -0.0066 0.0207 260 THR A O 2056 C CB . THR A 259 ? 0.4319 0.5892 0.4887 0.0696 0.0048 0.0397 260 THR A CB 2057 O OG1 . THR A 259 ? 0.5576 0.6711 0.5911 0.0834 0.0126 0.0251 260 THR A OG1 2058 C CG2 . THR A 259 ? 0.3588 0.5652 0.4392 0.0668 0.0092 0.0452 260 THR A CG2 2059 N N . THR A 260 ? 0.4361 0.5383 0.4684 0.0437 -0.0100 0.0505 261 THR A N 2060 C CA . THR A 260 ? 0.4601 0.5214 0.4841 0.0377 -0.0113 0.0573 261 THR A CA 2061 C C . THR A 260 ? 0.5008 0.5366 0.5219 0.0586 -0.0134 0.0737 261 THR A C 2062 O O . THR A 260 ? 0.5260 0.5906 0.5560 0.0771 -0.0149 0.0843 261 THR A O 2063 C CB . THR A 260 ? 0.5972 0.6728 0.6172 0.0177 -0.0097 0.0679 261 THR A CB 2064 O OG1 . THR A 260 ? 0.5809 0.6813 0.5910 0.0234 -0.0137 0.0834 261 THR A OG1 2065 C CG2 . THR A 260 ? 0.3354 0.4334 0.3587 0.0038 -0.0059 0.0522 261 THR A CG2 2066 N N . ASP A 261 ? 0.5941 0.5754 0.6065 0.0553 -0.0156 0.0778 262 ASP A N 2067 C CA . ASP A 261 ? 0.6549 0.5968 0.6599 0.0774 -0.0180 0.0941 262 ASP A CA 2068 C C . ASP A 261 ? 0.6636 0.6054 0.6646 0.0678 -0.0205 0.1240 262 ASP A C 2069 O O . ASP A 261 ? 0.7128 0.7015 0.7129 0.0564 -0.0197 0.1326 262 ASP A O 2070 C CB . ASP A 261 ? 0.7271 0.5914 0.7158 0.0812 -0.0219 0.0805 262 ASP A CB 2071 C CG . ASP A 261 ? 0.8466 0.6825 0.8389 0.0437 -0.0291 0.0792 262 ASP A CG 2072 O OD1 . ASP A 261 ? 0.9384 0.8131 0.9460 0.0205 -0.0250 0.0948 262 ASP A OD1 2073 O OD2 . ASP A 261 ? 0.9198 0.6942 0.8991 0.0381 -0.0395 0.0632 262 ASP A OD2 2074 N N . GLU A 262 ? 0.6499 0.5312 0.6412 0.0730 -0.0235 0.1398 263 GLU A N 2075 C CA . GLU A 262 ? 0.7896 0.6643 0.7710 0.0696 -0.0246 0.1744 263 GLU A CA 2076 C C . GLU A 262 ? 0.8022 0.6472 0.7835 0.0350 -0.0198 0.1888 263 GLU A C 2077 O O . GLU A 262 ? 0.7286 0.5666 0.6976 0.0293 -0.0162 0.2215 263 GLU A O 2078 C CB . GLU A 262 ? 0.9163 0.7449 0.8890 0.1036 -0.0306 0.1923 263 GLU A CB 2079 C CG . GLU A 262 ? 1.2295 0.9651 1.1922 0.1064 -0.0333 0.1845 263 GLU A CG 2080 C CD . GLU A 262 ? 1.3747 1.0931 1.3349 0.1234 -0.0321 0.1469 263 GLU A CD 2081 O OE1 . GLU A 262 ? 1.3766 1.1593 1.3491 0.1379 -0.0259 0.1331 263 GLU A OE1 2082 O OE2 . GLU A 262 ? 1.4370 1.0736 1.3788 0.1212 -0.0381 0.1319 263 GLU A OE2 2083 N N . SER A 263 ? 0.7708 0.6028 0.7678 0.0116 -0.0201 0.1680 264 SER A N 2084 C CA . SER A 263 ? 0.7244 0.5374 0.7372 -0.0244 -0.0168 0.1850 264 SER A CA 2085 C C . SER A 263 ? 0.6791 0.5174 0.7196 -0.0502 -0.0182 0.1622 264 SER A C 2086 O O . SER A 263 ? 0.6622 0.4974 0.7007 -0.0413 -0.0276 0.1301 264 SER A O 2087 C CB . SER A 263 ? 0.7962 0.5196 0.8035 -0.0287 -0.0280 0.1983 264 SER A CB 2088 O OG . SER A 263 ? 0.7835 0.4544 0.7807 -0.0154 -0.0429 0.1651 264 SER A OG 2089 N N . GLY A 264 ? 0.6980 0.5645 0.7651 -0.0800 -0.0075 0.1823 265 GLY A N 2090 C CA . GLY A 264 ? 0.7492 0.6460 0.8538 -0.1045 -0.0105 0.1678 265 GLY A CA 2091 C C . GLY A 264 ? 0.7619 0.7332 0.8871 -0.1136 0.0135 0.1828 265 GLY A C 2092 O O . GLY A 264 ? 0.7869 0.7900 0.8827 -0.0945 0.0298 0.1885 265 GLY A O 2093 N N . ASN A 265 ? 0.7735 0.7718 0.9487 -0.1415 0.0144 0.1889 266 ASN A N 2094 C CA . ASN A 265 ? 0.7662 0.8380 0.9672 -0.1453 0.0415 0.2035 266 ASN A CA 2095 C C . ASN A 265 ? 0.7284 0.8415 0.9617 -0.1460 0.0336 0.1776 266 ASN A C 2096 O O . ASN A 265 ? 0.8079 0.9776 1.0884 -0.1569 0.0491 0.1919 266 ASN A O 2097 C CB . ASN A 265 ? 0.7767 0.8632 1.0222 -0.1756 0.0581 0.2473 266 ASN A CB 2098 C CG . ASN A 265 ? 0.8992 0.9368 1.1109 -0.1762 0.0646 0.2782 266 ASN A CG 2099 O OD1 . ASN A 265 ? 1.0015 0.9907 1.2364 -0.2031 0.0513 0.2984 266 ASN A OD1 2100 N ND2 . ASN A 265 ? 0.9200 0.9647 1.0738 -0.1472 0.0814 0.2827 266 ASN A ND2 2101 N N . HIS A 266 ? 0.5962 0.6828 0.8047 -0.1317 0.0112 0.1425 267 HIS A N 2102 C CA . HIS A 266 ? 0.5076 0.6238 0.7365 -0.1295 0.0001 0.1186 267 HIS A CA 2103 C C . HIS A 266 ? 0.5307 0.6985 0.7478 -0.1071 0.0244 0.1137 267 HIS A C 2104 O O . HIS A 266 ? 0.5212 0.6834 0.6925 -0.0878 0.0372 0.1113 267 HIS A O 2105 C CB . HIS A 266 ? 0.4660 0.5331 0.6606 -0.1185 -0.0267 0.0862 267 HIS A CB 2106 C CG . HIS A 266 ? 0.5620 0.5620 0.7523 -0.1347 -0.0513 0.0847 267 HIS A CG 2107 N ND1 . HIS A 266 ? 0.5104 0.4602 0.6734 -0.1295 -0.0482 0.0964 267 HIS A ND1 2108 C CD2 . HIS A 266 ? 0.5931 0.5603 0.7978 -0.1553 -0.0825 0.0721 267 HIS A CD2 2109 C CE1 . HIS A 266 ? 0.6830 0.5658 0.8420 -0.1448 -0.0738 0.0897 267 HIS A CE1 2110 N NE2 . HIS A 266 ? 0.6777 0.5681 0.8592 -0.1623 -0.0966 0.0734 267 HIS A NE2 2111 N N . THR A 267 ? 0.4690 0.6838 0.7269 -0.1092 0.0277 0.1122 268 THR A N 2112 C CA . THR A 267 ? 0.4910 0.7493 0.7404 -0.0869 0.0546 0.1109 268 THR A CA 2113 C C . THR A 267 ? 0.4289 0.6742 0.6389 -0.0646 0.0459 0.0800 268 THR A C 2114 O O . THR A 267 ? 0.4883 0.7491 0.6743 -0.0448 0.0647 0.0742 268 THR A O 2115 C CB . THR A 267 ? 0.4897 0.8102 0.8074 -0.0931 0.0673 0.1283 268 THR A CB 2116 O OG1 . THR A 267 ? 0.5255 0.8481 0.8878 -0.1101 0.0336 0.1198 268 THR A OG1 2117 C CG2 . THR A 267 ? 0.4057 0.7538 0.7604 -0.1113 0.0910 0.1671 268 THR A CG2 2118 N N . GLY A 268 ? 0.3399 0.5521 0.5391 -0.0676 0.0185 0.0608 269 GLY A N 2119 C CA . GLY A 268 ? 0.2957 0.4924 0.4564 -0.0496 0.0125 0.0375 269 GLY A CA 2120 C C . GLY A 268 ? 0.4398 0.6538 0.6156 -0.0417 0.0047 0.0256 269 GLY A C 2121 O O . GLY A 268 ? 0.4511 0.6769 0.6638 -0.0521 -0.0121 0.0277 269 GLY A O 2122 N N . TRP A 269 ? 0.5358 0.7476 0.6818 -0.0242 0.0135 0.0142 270 TRP A N 2123 C CA . TRP A 269 ? 0.6101 0.8248 0.7589 -0.0135 0.0046 0.0034 270 TRP A CA 2124 C C . TRP A 269 ? 0.6059 0.8230 0.7347 0.0056 0.0221 -0.0019 270 TRP A C 2125 O O . TRP A 269 ? 0.5541 0.7639 0.6541 0.0098 0.0379 -0.0022 270 TRP A O 2126 C CB . TRP A 269 ? 0.5284 0.7093 0.6463 -0.0138 -0.0136 -0.0099 270 TRP A CB 2127 C CG . TRP A 269 ? 0.4675 0.6281 0.5487 -0.0116 -0.0065 -0.0141 270 TRP A CG 2128 C CD1 . TRP A 269 ? 0.4989 0.6459 0.5700 -0.0168 -0.0081 -0.0110 270 TRP A CD1 2129 C CD2 . TRP A 269 ? 0.3699 0.5226 0.4248 -0.0042 0.0002 -0.0200 270 TRP A CD2 2130 N NE1 . TRP A 269 ? 0.4366 0.5788 0.4837 -0.0123 -0.0031 -0.0126 270 TRP A NE1 2131 C CE2 . TRP A 269 ? 0.3787 0.5230 0.4156 -0.0080 0.0003 -0.0186 270 TRP A CE2 2132 C CE3 . TRP A 269 ? 0.3610 0.5089 0.4068 0.0051 0.0040 -0.0256 270 TRP A CE3 2133 C CZ2 . TRP A 269 ? 0.3263 0.4643 0.3425 -0.0084 0.0005 -0.0218 270 TRP A CZ2 2134 C CZ3 . TRP A 269 ? 0.4121 0.5409 0.4288 0.0045 0.0051 -0.0312 270 TRP A CZ3 2135 C CH2 . TRP A 269 ? 0.2960 0.4231 0.3009 -0.0049 0.0017 -0.0289 270 TRP A CH2 2136 N N . LYS A 270 ? 0.5003 0.7205 0.6381 0.0181 0.0163 -0.0067 271 LYS A N 2137 C CA . LYS A 270 ? 0.4058 0.6132 0.5199 0.0388 0.0297 -0.0141 271 LYS A CA 2138 C C . LYS A 270 ? 0.4372 0.6250 0.5448 0.0472 0.0135 -0.0200 271 LYS A C 2139 O O . LYS A 270 ? 0.5375 0.7446 0.6767 0.0471 -0.0024 -0.0139 271 LYS A O 2140 C CB . LYS A 270 ? 0.3753 0.6187 0.5188 0.0566 0.0533 -0.0044 271 LYS A CB 2141 C CG . LYS A 270 ? 0.4259 0.6439 0.5339 0.0843 0.0702 -0.0155 271 LYS A CG 2142 C CD . LYS A 270 ? 0.5150 0.7732 0.6506 0.1087 0.1010 -0.0044 271 LYS A CD 2143 C CE . LYS A 270 ? 0.6038 0.8219 0.6890 0.1419 0.1200 -0.0200 271 LYS A CE 2144 N NZ . LYS A 270 ? 0.6525 0.9113 0.7590 0.1733 0.1578 -0.0088 271 LYS A NZ 2145 N N . ILE A 271 ? 0.4603 0.6077 0.5254 0.0523 0.0147 -0.0301 272 ILE A N 2146 C CA . ILE A 271 ? 0.4368 0.5580 0.4888 0.0579 0.0011 -0.0313 272 ILE A CA 2147 C C . ILE A 271 ? 0.5306 0.6180 0.5601 0.0781 0.0096 -0.0371 272 ILE A C 2148 O O . ILE A 271 ? 0.5977 0.6572 0.5947 0.0783 0.0199 -0.0472 272 ILE A O 2149 C CB . ILE A 271 ? 0.3469 0.4437 0.3705 0.0398 -0.0083 -0.0332 272 ILE A CB 2150 C CG1 . ILE A 271 ? 0.3650 0.4827 0.4023 0.0274 -0.0168 -0.0299 272 ILE A CG1 2151 C CG2 . ILE A 271 ? 0.4142 0.4810 0.4187 0.0449 -0.0171 -0.0296 272 ILE A CG2 2152 C CD1 . ILE A 271 ? 0.3964 0.4981 0.4094 0.0170 -0.0193 -0.0297 272 ILE A CD1 2153 N N . HIS A 272 ? 0.5268 0.6111 0.5689 0.0963 0.0025 -0.0310 273 HIS A N 2154 C CA . HIS A 272 ? 0.5706 0.6083 0.5863 0.1180 0.0079 -0.0356 273 HIS A CA 2155 C C . HIS A 272 ? 0.6515 0.6448 0.6387 0.1081 -0.0081 -0.0308 273 HIS A C 2156 O O . HIS A 272 ? 0.7091 0.7158 0.7087 0.1099 -0.0226 -0.0186 273 HIS A O 2157 C CB . HIS A 272 ? 0.5389 0.6042 0.5917 0.1523 0.0140 -0.0276 273 HIS A CB 2158 C CG . HIS A 272 ? 0.6746 0.6840 0.6973 0.1823 0.0217 -0.0330 273 HIS A CG 2159 N ND1 . HIS A 272 ? 0.8124 0.7602 0.7810 0.1839 0.0336 -0.0510 273 HIS A ND1 2160 C CD2 . HIS A 272 ? 0.6722 0.6713 0.7078 0.2132 0.0166 -0.0231 273 HIS A CD2 2161 C CE1 . HIS A 272 ? 0.8248 0.7190 0.7708 0.2142 0.0368 -0.0541 273 HIS A CE1 2162 N NE2 . HIS A 272 ? 0.7581 0.6841 0.7462 0.2344 0.0282 -0.0357 273 HIS A NE2 2163 N N . TYR A 273 ? 0.6205 0.5610 0.5680 0.0955 -0.0067 -0.0384 274 TYR A N 2164 C CA . TYR A 273 ? 0.5994 0.4994 0.5246 0.0823 -0.0179 -0.0282 274 TYR A CA 2165 C C . TYR A 273 ? 0.6883 0.5246 0.5889 0.1025 -0.0188 -0.0278 274 TYR A C 2166 O O . TYR A 273 ? 0.7434 0.5456 0.6254 0.1178 -0.0103 -0.0434 274 TYR A O 2167 C CB . TYR A 273 ? 0.7053 0.5938 0.6148 0.0483 -0.0197 -0.0302 274 TYR A CB 2168 C CG . TYR A 273 ? 0.8190 0.6485 0.6964 0.0381 -0.0219 -0.0421 274 TYR A CG 2169 C CD1 . TYR A 273 ? 0.8772 0.6451 0.7324 0.0289 -0.0301 -0.0343 274 TYR A CD1 2170 C CD2 . TYR A 273 ? 0.8210 0.6506 0.6849 0.0353 -0.0185 -0.0604 274 TYR A CD2 2171 C CE1 . TYR A 273 ? 0.9482 0.6518 0.7707 0.0149 -0.0383 -0.0475 274 TYR A CE1 2172 C CE2 . TYR A 273 ? 0.9495 0.7169 0.7734 0.0244 -0.0268 -0.0750 274 TYR A CE2 2173 C CZ . TYR A 273 ? 1.0134 0.7159 0.8178 0.0128 -0.0385 -0.0700 274 TYR A CZ 2174 O OH . TYR A 273 ? 1.0466 0.6770 0.8080 -0.0023 -0.0526 -0.0867 274 TYR A OH 2175 N N . THR A 274 ? 0.7878 0.6025 0.6814 0.1052 -0.0287 -0.0096 275 THR A N 2176 C CA . THR A 274 ? 0.8527 0.5984 0.7213 0.1247 -0.0319 -0.0037 275 THR A CA 2177 C C . THR A 274 ? 0.8859 0.5860 0.7291 0.0991 -0.0397 0.0158 275 THR A C 2178 O O . THR A 274 ? 0.8240 0.5550 0.6724 0.0700 -0.0394 0.0245 275 THR A O 2179 C CB . THR A 274 ? 0.8332 0.6004 0.7241 0.1648 -0.0362 0.0076 275 THR A CB 2180 O OG1 . THR A 274 ? 0.7687 0.5923 0.6796 0.1573 -0.0483 0.0224 275 THR A OG1 2181 C CG2 . THR A 274 ? 0.6630 0.4669 0.5831 0.1942 -0.0227 -0.0071 275 THR A CG2 2182 N N . SER A 275 ? 0.9574 0.5837 0.7743 0.1119 -0.0443 0.0251 276 SER A N 2183 C CA . SER A 275 ? 0.9807 0.5562 0.7742 0.0847 -0.0495 0.0484 276 SER A CA 2184 C C . SER A 275 ? 1.0593 0.5866 0.8332 0.1112 -0.0564 0.0731 276 SER A C 2185 O O . SER A 275 ? 1.1438 0.6498 0.9172 0.1520 -0.0587 0.0671 276 SER A O 2186 C CB . SER A 275 ? 1.0236 0.5301 0.7959 0.0557 -0.0526 0.0360 276 SER A CB 2187 O OG . SER A 275 ? 1.0568 0.6014 0.8409 0.0397 -0.0500 0.0108 276 SER A OG 2188 N N . THR A 276 ? 1.0500 0.5630 0.8083 0.0907 -0.0577 0.1040 277 THR A N 2189 C CA . THR A 276 ? 1.1329 0.5853 0.8628 0.1106 -0.0650 0.1334 277 THR A CA 2190 C C . THR A 276 ? 1.1636 0.5513 0.8709 0.0713 -0.0620 0.1598 277 THR A C 2191 O O . THR A 276 ? 1.0314 0.4489 0.7531 0.0298 -0.0537 0.1626 277 THR A O 2192 C CB . THR A 276 ? 1.1814 0.6863 0.9075 0.1329 -0.0714 0.1551 277 THR A CB 2193 O OG1 . THR A 276 ? 1.2077 0.7645 0.9316 0.1029 -0.0622 0.1648 277 THR A OG1 2194 C CG2 . THR A 276 ? 1.1293 0.6961 0.8874 0.1688 -0.0799 0.1345 277 THR A CG2 2195 N N . ALA A 277 ? 1.2630 0.5640 0.9401 0.0846 -0.0688 0.1824 278 ALA A N 2196 C CA . ALA A 277 ? 1.3276 0.5607 0.9860 0.0448 -0.0667 0.2144 278 ALA A CA 2197 C C . ALA A 277 ? 1.4478 0.7089 1.0891 0.0410 -0.0579 0.2600 278 ALA A C 2198 O O . ALA A 277 ? 1.3812 0.6952 1.0139 0.0745 -0.0602 0.2639 278 ALA A O 2199 C CB . ALA A 277 ? 1.3733 0.4825 1.0011 0.0585 -0.0785 0.2168 278 ALA A CB 2200 N N . GLN A 278 ? 1.6416 0.8666 1.2762 -0.0009 -0.0487 0.2957 279 GLN A N 2201 C CA . GLN A 278 ? 1.6982 0.9452 1.3082 -0.0053 -0.0338 0.3436 279 GLN A CA 2202 C C . GLN A 278 ? 1.7756 0.9636 1.3374 0.0375 -0.0454 0.3704 279 GLN A C 2203 O O . GLN A 278 ? 1.8728 1.0714 1.3984 0.0439 -0.0363 0.4105 279 GLN A O 2204 C CB . GLN A 278 ? 1.7474 0.9700 1.3703 -0.0620 -0.0180 0.3817 279 GLN A CB 2205 C CG . GLN A 278 ? 1.8765 0.9882 1.4921 -0.0780 -0.0291 0.3989 279 GLN A CG 2206 C CD . GLN A 278 ? 1.9451 1.0643 1.5976 -0.1341 -0.0101 0.4340 279 GLN A CD 2207 O OE1 . GLN A 278 ? 1.9183 1.1143 1.6026 -0.1662 0.0082 0.4443 279 GLN A OE1 2208 N NE2 . GLN A 278 ? 1.9944 1.0377 1.6472 -0.1439 -0.0125 0.4528 279 GLN A NE2 # 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 LYS 1 2 2 LYS LYS A . n A 1 2 TRP 2 3 3 TRP TRP A . n A 1 3 PRO 3 4 4 PRO PRO A . n A 1 4 GLU 4 5 5 GLU GLU A . n A 1 5 PRO 5 6 6 PRO PRO A . n A 1 6 VAL 6 7 7 VAL VAL A . n A 1 7 PHE 7 8 8 PHE PHE A . n A 1 8 GLY 8 9 9 GLY GLY A . n A 1 9 ARG 9 10 10 ARG ARG A . n A 1 10 LEU 10 11 11 LEU LEU A . n A 1 11 VAL 11 12 12 VAL VAL A . n A 1 12 SER 12 13 13 SER SER A . n A 1 13 PRO 13 14 14 PRO PRO A . n A 1 14 GLY 14 15 15 GLY GLY A . n A 1 15 PHE 15 16 16 PHE PHE A . n A 1 16 PRO 16 17 17 PRO PRO A . n A 1 17 GLU 17 18 18 GLU GLU A . n A 1 18 LYS 18 19 19 LYS LYS A . n A 1 19 TYR 19 20 20 TYR TYR A . n A 1 20 GLY 20 21 21 GLY GLY A . n A 1 21 ASN 21 22 22 ASN ASN A . n A 1 22 HIS 22 23 23 HIS HIS A . n A 1 23 GLN 23 24 24 GLN GLN A . n A 1 24 ASP 24 25 25 ASP ASP A . n A 1 25 ARG 25 26 26 ARG ARG A . n A 1 26 SER 26 27 27 SER SER A . n A 1 27 TRP 27 28 28 TRP TRP A . n A 1 28 THR 28 29 29 THR THR A . n A 1 29 LEU 29 30 30 LEU LEU A . n A 1 30 THR 30 31 31 THR THR A . n A 1 31 ALA 31 32 32 ALA ALA A . n A 1 32 PRO 32 33 33 PRO PRO A . n A 1 33 PRO 33 34 34 PRO PRO A . n A 1 34 GLY 34 35 35 GLY GLY A . n A 1 35 PHE 35 36 36 PHE PHE A . n A 1 36 ARG 36 37 37 ARG ARG A . n A 1 37 LEU 37 38 38 LEU LEU A . n A 1 38 ARG 38 39 39 ARG ARG A . n A 1 39 LEU 39 40 40 LEU LEU A . n A 1 40 TYR 40 41 41 TYR TYR A . n A 1 41 PHE 41 42 42 PHE PHE A . n A 1 42 THR 42 43 43 THR THR A . n A 1 43 HIS 43 44 44 HIS HIS A . n A 1 44 PHE 44 45 45 PHE PHE A . n A 1 45 ASN 45 46 46 ASN ASN A . n A 1 46 LEU 46 47 47 LEU LEU A . n A 1 47 GLU 47 48 48 GLU GLU A . n A 1 48 LEU 48 49 49 LEU LEU A . n A 1 49 SER 49 50 50 SER SER A . n A 1 50 TYR 50 51 51 TYR TYR A . n A 1 51 ARG 51 52 52 ARG ARG A . n A 1 52 CYS 52 53 53 CYS CYS A . n A 1 53 GLU 53 54 54 GLU GLU A . n A 1 54 TYR 54 55 55 TYR TYR A . n A 1 55 ASP 55 56 56 ASP ASP A . n A 1 56 PHE 56 57 57 PHE PHE A . n A 1 57 VAL 57 58 58 VAL VAL A . n A 1 58 LYS 58 59 59 LYS LYS A . n A 1 59 LEU 59 60 60 LEU LEU A . n A 1 60 THR 60 61 61 THR THR A . n A 1 61 SER 61 62 62 SER SER A . n A 1 62 GLY 62 63 63 GLY GLY A . n A 1 63 THR 63 64 64 THR THR A . n A 1 64 LYS 64 65 65 LYS LYS A . n A 1 65 VAL 65 66 66 VAL VAL A . n A 1 66 LEU 66 67 67 LEU LEU A . n A 1 67 ALA 67 68 68 ALA ALA A . n A 1 68 THR 68 69 69 THR THR A . n A 1 69 LEU 69 70 70 LEU LEU A . n A 1 70 CYS 70 71 71 CYS CYS A . n A 1 71 GLY 71 72 72 GLY GLY A . n A 1 72 GLN 72 73 73 GLN GLN A . n A 1 73 GLU 73 74 74 GLU GLU A . n A 1 74 SER 74 75 75 SER SER A . n A 1 75 THR 75 76 76 THR THR A . n A 1 76 ASP 76 77 77 ASP ASP A . n A 1 77 THR 77 78 78 THR THR A . n A 1 78 GLU 78 79 79 GLU GLU A . n A 1 79 ARG 79 80 80 ARG ARG A . n A 1 80 ALA 80 81 81 ALA ALA A . n A 1 81 PRO 81 82 82 PRO PRO A . n A 1 82 GLY 82 83 83 GLY GLY A . n A 1 83 ASN 83 84 84 ASN ASN A . n A 1 84 ASP 84 85 85 ASP ASP A . n A 1 85 THR 85 86 86 THR THR A . n A 1 86 PHE 86 87 87 PHE PHE A . n A 1 87 TYR 87 88 88 TYR TYR A . n A 1 88 SER 88 89 89 SER SER A . n A 1 89 LEU 89 90 90 LEU LEU A . n A 1 90 GLY 90 91 91 GLY GLY A . n A 1 91 PRO 91 92 92 PRO PRO A . n A 1 92 SER 92 93 93 SER SER A . n A 1 93 LEU 93 94 94 LEU LEU A . n A 1 94 LYS 94 95 95 LYS LYS A . n A 1 95 VAL 95 96 96 VAL VAL A . n A 1 96 THR 96 97 97 THR THR A . n A 1 97 PHE 97 98 98 PHE PHE A . n A 1 98 HIS 98 99 99 HIS HIS A . n A 1 99 SER 99 100 100 SER SER A . n A 1 100 ASP 100 101 101 ASP ASP A . n A 1 101 TYR 101 102 102 TYR TYR A . n A 1 102 SER 102 103 103 SER SER A . n A 1 103 ASN 103 104 104 ASN ASN A . n A 1 104 GLU 104 105 105 GLU GLU A . n A 1 105 LYS 105 106 106 LYS LYS A . n A 1 106 PRO 106 107 107 PRO PRO A . n A 1 107 PHE 107 108 108 PHE PHE A . n A 1 108 THR 108 109 109 THR THR A . n A 1 109 GLY 109 110 110 GLY GLY A . n A 1 110 PHE 110 111 111 PHE PHE A . n A 1 111 GLU 111 112 112 GLU GLU A . n A 1 112 ALA 112 113 113 ALA ALA A . n A 1 113 PHE 113 114 114 PHE PHE A . n A 1 114 TYR 114 115 115 TYR TYR A . n A 1 115 ALA 115 116 116 ALA ALA A . n A 1 116 ALA 116 117 117 ALA ALA A . n A 1 117 GLU 117 118 118 GLU GLU A . n A 1 118 ASP 118 119 119 ASP ASP A . n A 1 119 VAL 119 120 120 VAL VAL A . n A 1 120 ASP 120 121 121 ASP ASP A . n A 1 121 GLU 121 122 122 GLU GLU A . n A 1 122 CYS 122 123 123 CYS CYS A . n A 1 123 ARG 123 124 124 ARG ARG A . n A 1 124 THR 124 125 125 THR THR A . n A 1 125 SER 125 126 126 SER SER A . n A 1 126 LEU 126 127 ? ? ? A . n A 1 127 GLY 127 128 ? ? ? A . n A 1 128 ASP 128 129 129 ASP ASP A . n A 1 129 SER 129 130 130 SER SER A . n A 1 130 VAL 130 131 131 VAL VAL A . n A 1 131 PRO 131 132 132 PRO PRO A . n A 1 132 CYS 132 133 133 CYS CYS A . n A 1 133 ASP 133 134 134 ASP ASP A . n A 1 134 HIS 134 135 135 HIS HIS A . n A 1 135 TYR 135 136 136 TYR TYR A . n A 1 136 CYS 136 137 137 CYS CYS A . n A 1 137 HIS 137 138 138 HIS HIS A . n A 1 138 ASN 138 139 139 ASN ASN A . n A 1 139 TYR 139 140 140 TYR TYR A . n A 1 140 LEU 140 141 141 LEU LEU A . n A 1 141 GLY 141 142 142 GLY GLY A . n A 1 142 GLY 142 143 143 GLY GLY A . n A 1 143 TYR 143 144 144 TYR TYR A . n A 1 144 TYR 144 145 145 TYR TYR A . n A 1 145 CYS 145 146 146 CYS CYS A . n A 1 146 SER 146 147 147 SER SER A . n A 1 147 CYS 147 148 148 CYS CYS A . n A 1 148 ARG 148 149 149 ARG ARG A . n A 1 149 VAL 149 150 150 VAL VAL A . n A 1 150 GLY 150 151 151 GLY GLY A . n A 1 151 TYR 151 152 152 TYR TYR A . n A 1 152 ILE 152 153 153 ILE ILE A . n A 1 153 LEU 153 154 154 LEU LEU A . n A 1 154 HIS 154 155 155 HIS HIS A . n A 1 155 GLN 155 156 156 GLN GLN A . n A 1 156 ASN 156 157 157 ASN ASN A . n A 1 157 LYS 157 158 158 LYS LYS A . n A 1 158 HIS 158 159 159 HIS HIS A . n A 1 159 THR 159 160 160 THR THR A . n A 1 160 CYS 160 161 161 CYS CYS A . n A 1 161 SER 161 162 162 SER SER A . n A 1 162 ALA 162 163 163 ALA ALA A . n A 1 163 LEU 163 164 164 LEU LEU A . n A 1 164 CYS 164 165 165 CYS CYS A . n A 1 165 SER 165 166 166 SER SER A . n A 1 166 GLY 166 167 167 GLY GLY A . n A 1 167 GLN 167 168 168 GLN GLN A . n A 1 168 VAL 168 169 169 VAL VAL A . n A 1 169 PHE 169 170 170 PHE PHE A . n A 1 170 THR 170 171 171 THR THR A . n A 1 171 GLY 171 172 172 GLY GLY A . n A 1 172 ARG 172 173 173 ARG ARG A . n A 1 173 SER 173 174 174 SER SER A . n A 1 174 GLY 174 175 175 GLY GLY A . n A 1 175 PHE 175 176 176 PHE PHE A . n A 1 176 LEU 176 177 177 LEU LEU A . n A 1 177 SER 177 178 178 SER SER A . n A 1 178 SER 178 179 179 SER SER A . n A 1 179 PRO 179 180 180 PRO PRO A . n A 1 180 GLU 180 181 181 GLU GLU A . n A 1 181 TYR 181 182 182 TYR TYR A . n A 1 182 PRO 182 183 183 PRO PRO A . n A 1 183 GLN 183 184 184 GLN GLN A . n A 1 184 PRO 184 185 185 PRO PRO A . n A 1 185 TYR 185 186 186 TYR TYR A . n A 1 186 PRO 186 187 187 PRO PRO A . n A 1 187 LYS 187 188 188 LYS LYS A . n A 1 188 LEU 188 189 189 LEU LEU A . n A 1 189 SER 189 190 190 SER SER A . n A 1 190 SER 190 191 191 SER SER A . n A 1 191 CYS 191 192 192 CYS CYS A . n A 1 192 ALA 192 193 193 ALA ALA A . n A 1 193 TYR 193 194 194 TYR TYR A . n A 1 194 ASN 194 195 195 ASN ASN A . n A 1 195 ILE 195 196 196 ILE ILE A . n A 1 196 ARG 196 197 197 ARG ARG A . n A 1 197 LEU 197 198 198 LEU LEU A . n A 1 198 GLU 198 199 199 GLU GLU A . n A 1 199 GLU 199 200 200 GLU GLU A . n A 1 200 GLY 200 201 201 GLY GLY A . n A 1 201 PHE 201 202 202 PHE PHE A . n A 1 202 SER 202 203 203 SER SER A . n A 1 203 ILE 203 204 204 ILE ILE A . n A 1 204 THR 204 205 205 THR THR A . n A 1 205 LEU 205 206 206 LEU LEU A . n A 1 206 ASP 206 207 207 ASP ASP A . n A 1 207 PHE 207 208 208 PHE PHE A . n A 1 208 VAL 208 209 209 VAL VAL A . n A 1 209 GLU 209 210 210 GLU GLU A . n A 1 210 SER 210 211 211 SER SER A . n A 1 211 PHE 211 212 212 PHE PHE A . n A 1 212 ASP 212 213 213 ASP ASP A . n A 1 213 VAL 213 214 214 VAL VAL A . n A 1 214 GLU 214 215 215 GLU GLU A . n A 1 215 MET 215 216 216 MET MET A . n A 1 216 HIS 216 217 217 HIS HIS A . n A 1 217 PRO 217 218 218 PRO PRO A . n A 1 218 GLU 218 219 219 GLU GLU A . n A 1 219 ALA 219 220 220 ALA ALA A . n A 1 220 GLN 220 221 221 GLN GLN A . n A 1 221 CYS 221 222 222 CYS CYS A . n A 1 222 PRO 222 223 223 PRO PRO A . n A 1 223 TYR 223 224 224 TYR TYR A . n A 1 224 ASP 224 225 225 ASP ASP A . n A 1 225 SER 225 226 226 SER SER A . n A 1 226 LEU 226 227 227 LEU LEU A . n A 1 227 LYS 227 228 228 LYS LYS A . n A 1 228 ILE 228 229 229 ILE ILE A . n A 1 229 GLN 229 230 230 GLN GLN A . n A 1 230 THR 230 231 231 THR THR A . n A 1 231 ASP 231 232 232 ASP ASP A . n A 1 232 LYS 232 233 233 LYS LYS A . n A 1 233 ARG 233 234 234 ARG ARG A . n A 1 234 GLU 234 235 235 GLU GLU A . n A 1 235 TYR 235 236 236 TYR TYR A . n A 1 236 GLY 236 237 237 GLY GLY A . n A 1 237 PRO 237 238 238 PRO PRO A . n A 1 238 PHE 238 239 239 PHE PHE A . n A 1 239 CYS 239 240 240 CYS CYS A . n A 1 240 GLY 240 241 241 GLY GLY A . n A 1 241 LYS 241 242 242 LYS LYS A . n A 1 242 THR 242 243 243 THR THR A . n A 1 243 LEU 243 244 244 LEU LEU A . n A 1 244 PRO 244 245 245 PRO PRO A . n A 1 245 PRO 245 246 246 PRO PRO A . n A 1 246 ARG 246 247 247 ARG ARG A . n A 1 247 ILE 247 248 248 ILE ILE A . n A 1 248 GLU 248 249 249 GLU GLU A . n A 1 249 THR 249 250 250 THR THR A . n A 1 250 ASP 250 251 251 ASP ASP A . n A 1 251 SER 251 252 252 SER SER A . n A 1 252 ASN 252 253 253 ASN ASN A . n A 1 253 LYS 253 254 254 LYS LYS A . n A 1 254 VAL 254 255 255 VAL VAL A . n A 1 255 THR 255 256 256 THR THR A . n A 1 256 ILE 256 257 257 ILE ILE A . n A 1 257 THR 257 258 258 THR THR A . n A 1 258 PHE 258 259 259 PHE PHE A . n A 1 259 THR 259 260 260 THR THR A . n A 1 260 THR 260 261 261 THR THR A . n A 1 261 ASP 261 262 262 ASP ASP A . n A 1 262 GLU 262 263 263 GLU GLU A . n A 1 263 SER 263 264 264 SER SER A . n A 1 264 GLY 264 265 265 GLY GLY A . n A 1 265 ASN 265 266 266 ASN ASN A . n A 1 266 HIS 266 267 267 HIS HIS A . n A 1 267 THR 267 268 268 THR THR A . n A 1 268 GLY 268 269 269 GLY GLY A . n A 1 269 TRP 269 270 270 TRP TRP A . n A 1 270 LYS 270 271 271 LYS LYS A . n A 1 271 ILE 271 272 272 ILE ILE A . n A 1 272 HIS 272 273 273 HIS HIS A . n A 1 273 TYR 273 274 274 TYR TYR A . n A 1 274 THR 274 275 275 THR THR A . n A 1 275 SER 275 276 276 SER SER A . n A 1 276 THR 276 277 277 THR THR A . n A 1 277 ALA 277 278 278 ALA ALA A . n A 1 278 GLN 278 279 279 GLN GLN A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 CA 1 301 290 CA CA A . C 2 CA 1 302 291 CA CA A . D 2 CA 1 303 292 CA CA A . E 3 NAG 1 304 300 NAG NAG A . F 4 HOH 1 401 53 HOH HOH A . F 4 HOH 2 402 40 HOH HOH A . F 4 HOH 3 403 82 HOH HOH A . F 4 HOH 4 404 23 HOH HOH A . F 4 HOH 5 405 24 HOH HOH A . F 4 HOH 6 406 35 HOH HOH A . F 4 HOH 7 407 32 HOH HOH A . F 4 HOH 8 408 19 HOH HOH A . F 4 HOH 9 409 26 HOH HOH A . F 4 HOH 10 410 83 HOH HOH A . F 4 HOH 11 411 81 HOH HOH A . F 4 HOH 12 412 44 HOH HOH A . F 4 HOH 13 413 42 HOH HOH A . F 4 HOH 14 414 80 HOH HOH A . F 4 HOH 15 415 71 HOH HOH A . F 4 HOH 16 416 16 HOH HOH A . F 4 HOH 17 417 56 HOH HOH A . F 4 HOH 18 418 57 HOH HOH A . F 4 HOH 19 419 18 HOH HOH A . F 4 HOH 20 420 2 HOH HOH A . F 4 HOH 21 421 21 HOH HOH A . F 4 HOH 22 422 46 HOH HOH A . F 4 HOH 23 423 27 HOH HOH A . F 4 HOH 24 424 74 HOH HOH A . F 4 HOH 25 425 75 HOH HOH A . F 4 HOH 26 426 30 HOH HOH A . F 4 HOH 27 427 69 HOH HOH A . F 4 HOH 28 428 25 HOH HOH A . F 4 HOH 29 429 62 HOH HOH A . F 4 HOH 30 430 15 HOH HOH A . F 4 HOH 31 431 38 HOH HOH A . F 4 HOH 32 432 12 HOH HOH A . F 4 HOH 33 433 88 HOH HOH A . F 4 HOH 34 434 87 HOH HOH A . F 4 HOH 35 435 1 HOH HOH A . F 4 HOH 36 436 29 HOH HOH A . F 4 HOH 37 437 43 HOH HOH A . F 4 HOH 38 438 5 HOH HOH A . F 4 HOH 39 439 50 HOH HOH A . F 4 HOH 40 440 48 HOH HOH A . F 4 HOH 41 441 51 HOH HOH A . F 4 HOH 42 442 14 HOH HOH A . F 4 HOH 43 443 3 HOH HOH A . F 4 HOH 44 444 13 HOH HOH A . F 4 HOH 45 445 22 HOH HOH A . F 4 HOH 46 446 33 HOH HOH A . F 4 HOH 47 447 20 HOH HOH A . F 4 HOH 48 448 9 HOH HOH A . F 4 HOH 49 449 77 HOH HOH A . F 4 HOH 50 450 31 HOH HOH A . F 4 HOH 51 451 10 HOH HOH A . F 4 HOH 52 452 6 HOH HOH A . F 4 HOH 53 453 7 HOH HOH A . F 4 HOH 54 454 11 HOH HOH A . F 4 HOH 55 455 36 HOH HOH A . F 4 HOH 56 456 52 HOH HOH A . F 4 HOH 57 457 4 HOH HOH A . F 4 HOH 58 458 54 HOH HOH A . F 4 HOH 59 459 61 HOH HOH A . F 4 HOH 60 460 47 HOH HOH A . F 4 HOH 61 461 68 HOH HOH A . F 4 HOH 62 462 65 HOH HOH A . F 4 HOH 63 463 17 HOH HOH A . F 4 HOH 64 464 34 HOH HOH A . F 4 HOH 65 465 8 HOH HOH A . F 4 HOH 66 466 60 HOH HOH A . F 4 HOH 67 467 55 HOH HOH A . F 4 HOH 68 468 76 HOH HOH A . F 4 HOH 69 469 28 HOH HOH A . F 4 HOH 70 470 45 HOH HOH A . F 4 HOH 71 471 63 HOH HOH A . F 4 HOH 72 472 84 HOH HOH A . F 4 HOH 73 473 89 HOH HOH A . F 4 HOH 74 474 67 HOH HOH A . F 4 HOH 75 475 72 HOH HOH A . F 4 HOH 76 476 58 HOH HOH A . F 4 HOH 77 477 59 HOH HOH A . F 4 HOH 78 478 41 HOH HOH A . F 4 HOH 79 479 73 HOH HOH A . F 4 HOH 80 480 85 HOH HOH A . F 4 HOH 81 481 49 HOH HOH A . F 4 HOH 82 482 70 HOH HOH A . F 4 HOH 83 483 78 HOH HOH A . F 4 HOH 84 484 64 HOH HOH A . F 4 HOH 85 485 37 HOH HOH A . F 4 HOH 86 486 86 HOH HOH A . F 4 HOH 87 487 39 HOH HOH A . F 4 HOH 88 488 79 HOH HOH A . F 4 HOH 89 489 66 HOH HOH A . # _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 1,2 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F # 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)' 2900 ? 1 MORE -33 ? 1 'SSA (A^2)' 29990 ? # loop_ _pdbx_struct_oper_list.id _pdbx_struct_oper_list.type _pdbx_struct_oper_list.name _pdbx_struct_oper_list.symmetry_operation _pdbx_struct_oper_list.matrix[1][1] _pdbx_struct_oper_list.matrix[1][2] _pdbx_struct_oper_list.matrix[1][3] _pdbx_struct_oper_list.vector[1] _pdbx_struct_oper_list.matrix[2][1] _pdbx_struct_oper_list.matrix[2][2] _pdbx_struct_oper_list.matrix[2][3] _pdbx_struct_oper_list.vector[2] _pdbx_struct_oper_list.matrix[3][1] _pdbx_struct_oper_list.matrix[3][2] _pdbx_struct_oper_list.matrix[3][3] _pdbx_struct_oper_list.vector[3] 1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 2 'crystal symmetry operation' 4_555 x,-y,-z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 # loop_ _pdbx_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 OE1 ? A GLU 47 ? A GLU 48 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OD1 ? A ASP 55 ? A ASP 56 ? 1_555 81.9 ? 2 OE1 ? A GLU 47 ? A GLU 48 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OD2 ? A ASP 55 ? A ASP 56 ? 1_555 80.3 ? 3 OD1 ? A ASP 55 ? A ASP 56 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OD2 ? A ASP 55 ? A ASP 56 ? 1_555 50.8 ? 4 OE1 ? A GLU 47 ? A GLU 48 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OD1 ? A ASP 100 ? A ASP 101 ? 1_555 88.7 ? 5 OD1 ? A ASP 55 ? A ASP 56 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OD1 ? A ASP 100 ? A ASP 101 ? 1_555 66.8 ? 6 OD2 ? A ASP 55 ? A ASP 56 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OD1 ? A ASP 100 ? A ASP 101 ? 1_555 117.5 ? 7 OE1 ? A GLU 47 ? A GLU 48 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O ? A SER 102 ? A SER 103 ? 1_555 86.0 ? 8 OD1 ? A ASP 55 ? A ASP 56 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O ? A SER 102 ? A SER 103 ? 1_555 141.8 ? 9 OD2 ? A ASP 55 ? A ASP 56 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O ? A SER 102 ? A SER 103 ? 1_555 159.7 ? 10 OD1 ? A ASP 100 ? A ASP 101 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O ? A SER 102 ? A SER 103 ? 1_555 76.9 ? 11 OE1 ? A GLU 47 ? A GLU 48 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OD1 ? A ASN 103 ? A ASN 104 ? 1_555 92.0 ? 12 OD1 ? A ASP 55 ? A ASP 56 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OD1 ? A ASN 103 ? A ASN 104 ? 1_555 121.1 ? 13 OD2 ? A ASP 55 ? A ASP 56 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OD1 ? A ASN 103 ? A ASN 104 ? 1_555 70.4 ? 14 OD1 ? A ASP 100 ? A ASP 101 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OD1 ? A ASN 103 ? A ASN 104 ? 1_555 172.1 ? 15 O ? A SER 102 ? A SER 103 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OD1 ? A ASN 103 ? A ASN 104 ? 1_555 95.3 ? 16 OE1 ? A GLU 47 ? A GLU 48 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O ? F HOH . ? A HOH 408 ? 1_555 164.2 ? 17 OD1 ? A ASP 55 ? A ASP 56 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O ? F HOH . ? A HOH 408 ? 1_555 98.4 ? 18 OD2 ? A ASP 55 ? A ASP 56 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O ? F HOH . ? A HOH 408 ? 1_555 112.2 ? 19 OD1 ? A ASP 100 ? A ASP 101 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O ? F HOH . ? A HOH 408 ? 1_555 77.1 ? 20 O ? A SER 102 ? A SER 103 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O ? F HOH . ? A HOH 408 ? 1_555 84.1 ? 21 OD1 ? A ASN 103 ? A ASN 104 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O ? F HOH . ? A HOH 408 ? 1_555 101.1 ? 22 OD1 ? A ASP 118 ? A ASP 119 ? 1_555 CA ? C CA . ? A CA 302 ? 1_555 O ? A VAL 119 ? A VAL 120 ? 1_555 78.3 ? 23 OD1 ? A ASP 118 ? A ASP 119 ? 1_555 CA ? C CA . ? A CA 302 ? 1_555 OE1 ? A GLU 121 ? A GLU 122 ? 1_555 141.1 ? 24 O ? A VAL 119 ? A VAL 120 ? 1_555 CA ? C CA . ? A CA 302 ? 1_555 OE1 ? A GLU 121 ? A GLU 122 ? 1_555 67.9 ? 25 OD1 ? A ASP 118 ? A ASP 119 ? 1_555 CA ? C CA . ? A CA 302 ? 1_555 OD1 ? A ASN 138 ? A ASN 139 ? 1_555 120.5 ? 26 O ? A VAL 119 ? A VAL 120 ? 1_555 CA ? C CA . ? A CA 302 ? 1_555 OD1 ? A ASN 138 ? A ASN 139 ? 1_555 83.7 ? 27 OE1 ? A GLU 121 ? A GLU 122 ? 1_555 CA ? C CA . ? A CA 302 ? 1_555 OD1 ? A ASN 138 ? A ASN 139 ? 1_555 75.3 ? 28 OD1 ? A ASP 118 ? A ASP 119 ? 1_555 CA ? C CA . ? A CA 302 ? 1_555 O ? A TYR 139 ? A TYR 140 ? 1_555 78.4 ? 29 O ? A VAL 119 ? A VAL 120 ? 1_555 CA ? C CA . ? A CA 302 ? 1_555 O ? A TYR 139 ? A TYR 140 ? 1_555 148.9 ? 30 OE1 ? A GLU 121 ? A GLU 122 ? 1_555 CA ? C CA . ? A CA 302 ? 1_555 O ? A TYR 139 ? A TYR 140 ? 1_555 139.8 ? 31 OD1 ? A ASN 138 ? A ASN 139 ? 1_555 CA ? C CA . ? A CA 302 ? 1_555 O ? A TYR 139 ? A TYR 140 ? 1_555 90.6 ? 32 OD1 ? A ASP 118 ? A ASP 119 ? 1_555 CA ? C CA . ? A CA 302 ? 1_555 O ? A GLY 142 ? A GLY 143 ? 1_555 139.2 ? 33 O ? A VAL 119 ? A VAL 120 ? 1_555 CA ? C CA . ? A CA 302 ? 1_555 O ? A GLY 142 ? A GLY 143 ? 1_555 142.4 ? 34 OE1 ? A GLU 121 ? A GLU 122 ? 1_555 CA ? C CA . ? A CA 302 ? 1_555 O ? A GLY 142 ? A GLY 143 ? 1_555 75.9 ? 35 OD1 ? A ASN 138 ? A ASN 139 ? 1_555 CA ? C CA . ? A CA 302 ? 1_555 O ? A GLY 142 ? A GLY 143 ? 1_555 77.7 ? 36 O ? A TYR 139 ? A TYR 140 ? 1_555 CA ? C CA . ? A CA 302 ? 1_555 O ? A GLY 142 ? A GLY 143 ? 1_555 64.3 ? 37 OD1 ? A ASP 118 ? A ASP 119 ? 1_555 CA ? C CA . ? A CA 302 ? 1_555 O ? F HOH . ? A HOH 415 ? 1_555 78.5 ? 38 O ? A VAL 119 ? A VAL 120 ? 1_555 CA ? C CA . ? A CA 302 ? 1_555 O ? F HOH . ? A HOH 415 ? 1_555 82.2 ? 39 OE1 ? A GLU 121 ? A GLU 122 ? 1_555 CA ? C CA . ? A CA 302 ? 1_555 O ? F HOH . ? A HOH 415 ? 1_555 78.4 ? 40 OD1 ? A ASN 138 ? A ASN 139 ? 1_555 CA ? C CA . ? A CA 302 ? 1_555 O ? F HOH . ? A HOH 415 ? 1_555 153.3 ? 41 O ? A TYR 139 ? A TYR 140 ? 1_555 CA ? C CA . ? A CA 302 ? 1_555 O ? F HOH . ? A HOH 415 ? 1_555 112.8 ? 42 O ? A GLY 142 ? A GLY 143 ? 1_555 CA ? C CA . ? A CA 302 ? 1_555 O ? F HOH . ? A HOH 415 ? 1_555 100.4 ? 43 OE2 ? A GLU 214 ? A GLU 215 ? 1_555 CA ? D CA . ? A CA 303 ? 1_555 OD1 ? A ASP 224 ? A ASP 225 ? 1_555 104.7 ? 44 OE2 ? A GLU 214 ? A GLU 215 ? 1_555 CA ? D CA . ? A CA 303 ? 1_555 OD2 ? A ASP 224 ? A ASP 225 ? 1_555 87.8 ? 45 OD1 ? A ASP 224 ? A ASP 225 ? 1_555 CA ? D CA . ? A CA 303 ? 1_555 OD2 ? A ASP 224 ? A ASP 225 ? 1_555 48.4 ? 46 OE2 ? A GLU 214 ? A GLU 215 ? 1_555 CA ? D CA . ? A CA 303 ? 1_555 OD1 ? A ASP 261 ? A ASP 262 ? 1_555 106.3 ? 47 OD1 ? A ASP 224 ? A ASP 225 ? 1_555 CA ? D CA . ? A CA 303 ? 1_555 OD1 ? A ASP 261 ? A ASP 262 ? 1_555 79.7 ? 48 OD2 ? A ASP 224 ? A ASP 225 ? 1_555 CA ? D CA . ? A CA 303 ? 1_555 OD1 ? A ASP 261 ? A ASP 262 ? 1_555 128.1 ? 49 OE2 ? A GLU 214 ? A GLU 215 ? 1_555 CA ? D CA . ? A CA 303 ? 1_555 O ? A SER 263 ? A SER 264 ? 1_555 76.7 ? 50 OD1 ? A ASP 224 ? A ASP 225 ? 1_555 CA ? D CA . ? A CA 303 ? 1_555 O ? A SER 263 ? A SER 264 ? 1_555 147.8 ? 51 OD2 ? A ASP 224 ? A ASP 225 ? 1_555 CA ? D CA . ? A CA 303 ? 1_555 O ? A SER 263 ? A SER 264 ? 1_555 160.0 ? 52 OD1 ? A ASP 261 ? A ASP 262 ? 1_555 CA ? D CA . ? A CA 303 ? 1_555 O ? A SER 263 ? A SER 264 ? 1_555 69.4 ? 53 OE2 ? A GLU 214 ? A GLU 215 ? 1_555 CA ? D CA . ? A CA 303 ? 1_555 O ? F HOH . ? A HOH 423 ? 1_555 168.0 ? 54 OD1 ? A ASP 224 ? A ASP 225 ? 1_555 CA ? D CA . ? A CA 303 ? 1_555 O ? F HOH . ? A HOH 423 ? 1_555 80.7 ? 55 OD2 ? A ASP 224 ? A ASP 225 ? 1_555 CA ? D CA . ? A CA 303 ? 1_555 O ? F HOH . ? A HOH 423 ? 1_555 103.6 ? 56 OD1 ? A ASP 261 ? A ASP 262 ? 1_555 CA ? D CA . ? A CA 303 ? 1_555 O ? F HOH . ? A HOH 423 ? 1_555 63.7 ? 57 O ? A SER 263 ? A SER 264 ? 1_555 CA ? D CA . ? A CA 303 ? 1_555 O ? F HOH . ? A HOH 423 ? 1_555 93.0 ? # 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 2017-01-18 2 'Structure model' 1 1 2017-02-01 3 'Structure model' 1 2 2017-02-15 4 'Structure model' 1 3 2017-08-30 5 'Structure model' 1 4 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' 'Database references' 2 3 'Structure model' 'Database references' 3 4 'Structure model' 'Author supporting evidence' 4 5 'Structure model' 'Author supporting evidence' # loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 4 'Structure model' pdbx_audit_support 2 5 'Structure model' pdbx_audit_support # 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 4 'Structure model' '_pdbx_audit_support.funding_organization' 2 5 'Structure model' '_pdbx_audit_support.funding_organization' # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[3][3] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] 'X-RAY DIFFRACTION' 1 ? refined -27.2917 23.5782 0.9703 0.2344 0.3443 0.2665 0.0142 -0.0181 0.0003 3.2981 6.6442 3.0434 0.9826 0.2739 -0.1227 -0.1144 0.0507 0.0389 -0.0099 0.4744 0.0710 0.1432 -0.2771 0.0652 'X-RAY DIFFRACTION' 2 ? refined -27.8973 -4.4402 11.6978 0.3544 0.4807 0.3034 -0.0101 -0.0055 -0.0232 0.2010 7.6381 6.5014 -0.9916 1.0432 -6.8491 0.0954 -0.2451 0.1469 -0.1595 0.1843 -0.4020 0.6695 -0.4198 0.3806 'X-RAY DIFFRACTION' 3 ? refined -20.6165 -25.8161 39.2426 0.2600 0.3736 0.2658 -0.0008 -0.0107 -0.0264 4.6805 7.1473 6.7917 -1.3092 0.8322 -2.4470 -0.0836 0.1324 -0.1074 0.0145 -0.0261 -0.1623 0.1610 0.1902 -0.0182 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.selection_details _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection 'X-RAY DIFFRACTION' 1 1 A 0 A 0 ;chain 'A' and (resid 2 through 109 ) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 2 2 A 0 A 0 ;chain 'A' and (resid 110 through 160 ) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 3 3 A 0 A 0 ;chain 'A' and (resid 161 through 279 ) ; ? ? ? ? ? # _phasing.method MR # loop_ _software.citation_id _software.classification _software.compiler_name _software.compiler_version _software.contact_author _software.contact_author_email _software.date _software.description _software.dependencies _software.hardware _software.language _software.location _software.mods _software.name _software.os _software.os_version _software.type _software.version _software.pdbx_ordinal ? refinement ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? . 1 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? . 2 ? phasing ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? . 3 ? 'data extraction' ? ? ? ? ? ? ? ? ? ? ? PDB_EXTRACT ? ? ? 3.15 4 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS ? ? ? . 5 # 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 O A HOH 485 ? ? O A HOH 487 ? ? 1.87 2 1 CB A CYS 148 ? ? SG A CYS 161 ? ? 2.04 3 1 O A HOH 426 ? ? O A HOH 481 ? ? 2.12 # _pdbx_validate_symm_contact.id 1 _pdbx_validate_symm_contact.PDB_model_num 1 _pdbx_validate_symm_contact.auth_atom_id_1 O _pdbx_validate_symm_contact.auth_asym_id_1 A _pdbx_validate_symm_contact.auth_comp_id_1 HOH _pdbx_validate_symm_contact.auth_seq_id_1 449 _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 A _pdbx_validate_symm_contact.auth_comp_id_2 HOH _pdbx_validate_symm_contact.auth_seq_id_2 468 _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 2.10 # _pdbx_validate_rmsd_angle.id 1 _pdbx_validate_rmsd_angle.PDB_model_num 1 _pdbx_validate_rmsd_angle.auth_atom_id_1 C _pdbx_validate_rmsd_angle.auth_asym_id_1 A _pdbx_validate_rmsd_angle.auth_comp_id_1 HIS _pdbx_validate_rmsd_angle.auth_seq_id_1 217 _pdbx_validate_rmsd_angle.PDB_ins_code_1 ? _pdbx_validate_rmsd_angle.label_alt_id_1 ? _pdbx_validate_rmsd_angle.auth_atom_id_2 N _pdbx_validate_rmsd_angle.auth_asym_id_2 A _pdbx_validate_rmsd_angle.auth_comp_id_2 PRO _pdbx_validate_rmsd_angle.auth_seq_id_2 218 _pdbx_validate_rmsd_angle.PDB_ins_code_2 ? _pdbx_validate_rmsd_angle.label_alt_id_2 ? _pdbx_validate_rmsd_angle.auth_atom_id_3 CA _pdbx_validate_rmsd_angle.auth_asym_id_3 A _pdbx_validate_rmsd_angle.auth_comp_id_3 PRO _pdbx_validate_rmsd_angle.auth_seq_id_3 218 _pdbx_validate_rmsd_angle.PDB_ins_code_3 ? _pdbx_validate_rmsd_angle.label_alt_id_3 ? _pdbx_validate_rmsd_angle.angle_value 128.42 _pdbx_validate_rmsd_angle.angle_target_value 119.30 _pdbx_validate_rmsd_angle.angle_deviation 9.12 _pdbx_validate_rmsd_angle.angle_standard_deviation 1.50 _pdbx_validate_rmsd_angle.linker_flag Y # 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 ASN A 46 ? ? -161.18 101.56 2 1 TYR A 55 ? ? -72.27 -82.72 3 1 THR A 76 ? ? -115.35 -158.21 4 1 ASP A 101 ? ? -86.03 -151.89 5 1 SER A 130 ? ? -119.36 65.12 6 1 HIS A 135 ? ? -120.17 -77.73 7 1 LEU A 141 ? ? -58.44 105.50 8 1 HIS A 159 ? ? -137.51 -61.12 9 1 PRO A 183 ? ? -90.71 32.33 10 1 GLU A 210 ? ? 60.60 -86.08 11 1 PRO A 218 ? ? -38.17 146.98 12 1 GLU A 219 ? ? 33.70 30.31 13 1 GLN A 221 ? ? 55.35 -115.79 14 1 TYR A 224 ? ? -92.30 -83.76 15 1 ARG A 234 ? ? -162.48 -169.73 16 1 ASP A 262 ? ? -96.47 -143.93 # 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 LEU 127 ? A LEU 126 2 1 Y 1 A GLY 128 ? A GLY 127 # loop_ _pdbx_audit_support.funding_organization _pdbx_audit_support.country _pdbx_audit_support.grant_number _pdbx_audit_support.ordinal 'Medical Research Council (United Kingdom)' 'United Kingdom' MR/K011715/1 1 'Engineering and Physical Sciences Research Council' 'United Kingdom' EP/K039121/1 2 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 'CALCIUM ION' CA 3 N-ACETYL-D-GLUCOSAMINE NAG 4 water HOH #